A0A5K4F3S2_SCHMA Loading...

Kettin/titin-related protein

AlphaFold DB (A0A5K4F288), UniProt , Accession A0A5K4F3S2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,040 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low40.7Very low247 Ų247138.8 Ų138.8100%1.21780%0.803SS**  0133.40-61.5167.9174.500107.3
2A37.2Very low40.3Very low99 Ų99138.8 Ų138.882%0.81881%0.807SS**  cis-156.9142.8-25.100000108.1
3S40.3Very low40.2Very low111 Ų111137 Ų13778%0.77680%0.802SS**  trans-85.3-168.6167.1-35.40000109.3
4P55.6Low39.9Very low106 Ų106136.4 Ų136.469%0.68881%0.809SS**  cis-112-125.5-8.314.113.9000111
5D43.2Very low39.6Very low134 Ų134139.4 Ų139.472%0.71781%0.812SS**  cis-161.7162.87.2-101.6-40.9000107.3
6V44.1Very low39.4Very low117 Ų117141.3 Ų141.371%0.70982%0.815SS**  cis-171.2150-32.2119.40000105.9
7G39.8Very low39Very low72 Ų72139.4 Ų139.474%0.74281%0.812SS**  trans-179.373.8-177.900000117.3A9G7-A9 PolarHBondContact O-N 3.5Å
8M38.8Very low39.2Very low150 Ų150137.3 Ų137.374%0.73980%0.804SS**  trans-25.9124.6171.7-46.2-55.1-176.400114.6
9A33.3Very low39.1Very low86 Ų86139.4 Ų139.471%0.71181%0.805SS**  cis62.5101.241.400000114.6G7G7-A9 PolarHBondContact O-N 3.5Å
10Y37.1Very low39.1Very low225 Ų225138.2 Ų138.288%0.88281%0.805SS**  trans-144126.4156.9-88.9-73.4000110.7
11H38.2Very low38.9Very low180 Ų180135.1 Ų135.183%0.83380%0.803SS**  trans-90.7151.4166.3-62.6-61.9000110.2
12T36Very low38.7Very low139 Ų139130 Ų13085%0.85378%0.781SS**  -179.1153.7109.925.20000111.7
13P37.8Very low38.5Very low115 Ų115134.1 Ų134.175%0.74779%0.785SS**  trans-99.8164.3-18038.3-33.8000113.1
14S37.1Very low38.5Very low128 Ų128133.9 Ų133.990%0.89578%0.779SS**  trans-154.3140.1156.4-86.10000112.4
15Q34.7Very low37.5Very low182 Ų182135.5 Ų135.585%0.8579%0.787SS**  trans-74.4155.1173.4-57.3167.7-3.500110.1
16I35.9Very low37Very low169 Ų169133 Ų13387%0.86778%0.781SS**  trans-170.8141.2138.8-99.6150.6000109.7
17S32.8Very low36.5Very low109 Ų109133.2 Ų133.276%0.76278%0.782SS**  trans-134.8-177.7170.8-48.40000106.6
18P43.7Very low36.2Very low102 Ų102138.2 Ų138.266%0.66278%0.783SS**  cis-138.9-157.1236.2-12.3000113.5
19Q36.8Very low35.9Very low178 Ų178137 Ų13783%0.83278%0.784SS**  trans72.6147161.1-67.2168.813.200117.5
20S40Very low35.9Very low115 Ų115138.4 Ų138.480%0.80478%0.779SS**  cis-172.1150.7-16.151.80000110.6
21G33.9Very low35.6Very low73 Ų73134.9 Ų134.975%0.75378%0.776SS**  trans154106.3162.900000115.3
22N37.4Very low35.5Very low141 Ų141131.6 Ų131.675%0.75476%0.763SS**  trans-90.4152.6178.5-58.2-6.3000112
23M33Very low35.4Very low184 Ų184129.8 Ų129.891%0.90676%0.757SS**  -136.8149.7110.2-75.8-154.1177.200109.1
24T38.4Very low35.1Very low107 Ų107134.8 Ų134.866%0.65676%0.76SS**  trans-156.1128.9-169-45.80000110.3
25T35.4Very low34.9Very low139 Ų139133 Ų13385%0.85375%0.754SS**  trans-110.8134.3155.137.90000107.4
26S31.9Very low34.8Very low83 Ų83130.8 Ų130.858%0.5874%0.743SS**  trans-14686.4-161.6159.30000111.7K28S26-K28 PolarHBondContact O-N 3.27Å
27T34Very low34.7Very low121 Ų121128.4 Ų128.474%0.74274%0.737SS**  trans-75.9111.3165.1-49.90000108.7I526T27-I526 HydrophobicContact CG2-CD1 3.7Å
28K34.3Very low34.6Very low176 Ų176129.8 Ų129.877%0.76574%0.735SS**  trans-77.4137.3-175.3-77.3-178.8176.8174.60112.2S26 L30S26-K28 PolarHBondContact O-N 3.27Å; K28-L30 PolarHBondContact O-N 2.82Å
29V32.2Very low34Very low124 Ų124132.6 Ų132.675%0.75274%0.744SS**  trans-62.2129.9163.4-179.30000109.8
30L32.8Very low33.8Very low117 Ų117128.1 Ų128.161%0.61374%0.737SS**  trans-107.4115.9161-95.6167.3000109.2K28 A530K28-L30 PolarHBondContact O-N 2.82Å; L30-A530 HydrophobicContact CD1-CB 3.63Å
31N32.1Very low33.5Very low151 Ų151131.6 Ų131.681%0.80774%0.741SS**  trans-81.6119.1170.6-102.5-62.4000108.9
32L34.7Very low33.7Very low110 Ų110133.6 Ų133.658%0.57674%0.741SS**  trans-120.6105.4166.5-87.1167.3000111
33S35Very low33.4Very low102 Ų102131.1 Ų131.171%0.71374%0.74SS**  trans31.6107.7154.352.50000119.3A35S33-A35 PolarHBondContact O-N 3.04Å
34R31.7Very low33.5Very low219 Ų219133.3 Ų133.383%0.82674%0.74SS**  trans-49.2123.4145.2-85.5177.1165.9160.6-3.6110.4
35A32.2Very low33.3Very low92 Ų92131 Ų13176%0.7674%0.738SS**  trans-98.691.7153.200000108.7S33 V37S33-A35 PolarHBondContact O-N 3.04Å; A35-V37 PolarHBondContact O-N 3.5Å; A35-V37 VanDerWaalsContact O-N 3.14Å
36Q33.3Very low33.1Very low134 Ų134129.3 Ų129.363%0.62674%0.737SS**  trans-78.493.2171.2-77.8-175.1-107.800109.6N38Q36-N38 PolarHBondContact O-N 3.05Å
37V32.5Very low33.2Very low120 Ų120136.2 Ų136.273%0.72775%0.752SS**  trans-72.796.2165.1-178.90000108.1A35 L39A35-V37 PolarHBondContact O-N 3.5Å; A35-V37 VanDerWaalsContact O-N 3.14Å; V37-L39 VanDerWaalsContact C-N 3.33Å; V37-L39 HydrophobicContact CG1-CD1 4.48Å; V37-L39 HydrophobicContact CG1-CG 4.3Å; V37-L39 PolarHBondContact O-N 2.9Å
38N30.3Very low33.3Very low137 Ų137135.5 Ų135.573%0.73375%0.75SS**  trans-69.489.3169.5-83-20.9000109.6Q36 A40Q36-N38 PolarHBondContact O-N 3.05Å; N38-A40 PolarHBondContact O-N 3.49Å
39L31.9Very low33.4Very low162 Ų162133.4 Ų133.485%0.84875%0.752SS**  trans-75.372161.7-91.7159.1000109.5V37V37-L39 VanDerWaalsContact C-N 3.33Å; V37-L39 HydrophobicContact CG1-CD1 4.48Å; V37-L39 HydrophobicContact CG1-CG 4.3Å; V37-L39 PolarHBondContact O-N 2.9Å
40A33.1Very low33.4Very low83 Ų83132.3 Ų132.369%0.68675%0.75SS**  trans-69.4131.6167.700000109.5N38 P42N38-A40 PolarHBondContact O-N 3.49Å; A40-P42 WeakPolarHBondContact O-CD 3.41Å
41Q33.7Very low33.6Very low188 Ų188134 Ų13488%0.87976%0.764SS**  trans-67.6126.9176.3-67.3175.3-24.700111.1A43Q41-A43 PolarHBondContact O-N 2.83Å
42P38.2Very low33.6Very low115 Ų115132 Ų13275%0.74776%0.762SS**  trans-89.197.7166.433-28.9000110.2A40 Y44A40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-Y44 VanDerWaalsContact C-N 3.32Å; P42-Y44 PolarHBondContact O-N 2.85Å
43A29.8Very low33.8Very low90 Ų90132.8 Ų132.874%0.74477%0.774SS**  trans-80.969.8178.700000113Q41Q41-A43 PolarHBondContact O-N 2.83Å
44Y35.5Very low33.9Very low229 Ų229137.4 Ų137.490%0.89878%0.784SS**  trans-147.1149.3170.1-65.6-79.5000109.2P42P42-Y44 VanDerWaalsContact C-N 3.32Å; P42-Y44 PolarHBondContact O-N 2.85Å
45G34.1Very low34.1Very low60 Ų60135.5 Ų135.562%0.61979%0.785SS**  cis179.5151.2-2.800000108.7
46A31.3Very low34.3Very low102 Ų102136.6 Ų136.684%0.84379%0.787SS**  trans-75.2136.7-169.200000114.2
47Y35.2Very low34.4Very low229 Ų229136 Ų13690%0.89879%0.793SS**  trans-137.5120.7169.9-79.3-79.7000111.2
48P34.5Very low34.9Very low105 Ų105135.3 Ų135.368%0.68279%0.79SS**  trans-109.1149.1175.637-29.8000113.6
49T36.6Very low35.1Very low133 Ų133134.7 Ų134.782%0.81679%0.792SS**  trans61.6158.9153.151.50000119.6
50S33.1Very low35.3Very low100 Ų100134.7 Ų134.770%0.69979%0.793SS**  cis-177.6135.9-35.755.20000108.5
51V36.6Very low35.2Very low152 Ų152134.8 Ų134.892%0.92179%0.794SS**  trans-139.3133.2167.2-172.10000112.3
52S32.4Very low35.3Very low109 Ų109137.1 Ų137.176%0.76280%0.796SS**  trans-52.4150.4-170.5-43.30000119.6
53P39.3Very low34.9Very low127 Ų127138.7 Ų138.783%0.82580%0.798SS**  trans-91.9173.615738.2-33.5000112.8
54Q37Very low35.1Very low199 Ų199145.1 Ų145.193%0.9381%0.805SS**  trans-124.1170.6169.8-111.8-176.1-2.800112.8
55Q35Very low34.9Very low180 Ų180138.8 Ų138.884%0.84179%0.794SS**  trans-114.2152.8-152.3-55.1165.8-24.600114.9
56S36.7Very low34.8Very low114 Ų114142.5 Ų142.580%0.79780%0.8SS**  trans-170.984136.661.20000115.2
57T35.4Very low35.1Very low123 Ų123145.7 Ų145.776%0.75580%0.797SS**  trans-7.1169137.857.40000121.6
58P43.7Very low34.9Very low104 Ų104143.2 Ų143.268%0.67579%0.794SS**  cis-148.3-150.6-47.445.5-25.4000113.5
59T34.1Very low34.9Very low124 Ų124143.9 Ų143.976%0.76180%0.801SS**  trans70.1136.3165.142.60000118
60N35.7Very low34.7Very low163 Ų163147.2 Ų147.287%0.87281%0.807SS**  cis-138.3173.444.8-106.7-36.3000115
61A32.2Very low34.8Very low85 Ų85147.7 Ų147.770%0.70281%0.811SS**  trans-136.9156.6179.700000113
62Y34.5Very low34.9Very low237 Ų237146 Ų14693%0.92980%0.803SS**  trans-138.6146.4160.1-91.5-76.7000110
63N30.2Very low35Very low148 Ų148145.6 Ų145.679%0.79180%0.8SS**  trans-152145.2-169.8-167-1.2000108.9
64Y33.9Very low34.6Very low224 Ų224147.6 Ų147.688%0.87880%0.796SS**  trans-147.6131.5173.9-116.4-82.7000112.1
65S32.1Very low34.4Very low97 Ų97148.8 Ų148.868%0.67879%0.793SS**  trans-94.6179.8176.361.30000110.1
66N31.7Very low34.2Very low138 Ų138144.2 Ų144.274%0.73879%0.786SS**  cis-166.8170.215.9-150.7-12.2000111.6
67Q36.8Very low34.2Very low168 Ų168149.7 Ų149.779%0.78579%0.791SS**  trans118.696153.9-65.7-178.791.600120.1
68Q31.8Very low34.3Very low177 Ų177149.9 Ų149.983%0.82780%0.795SS**  34.6122.9121.5-62.5-178.8-13.300121.9
69S34.8Very low33.8Very low119 Ų119150.4 Ų150.483%0.83280%0.801SS**  -164.1114114.18.90000114.2
70Q32.3Very low33.9Very low204 Ų204154 Ų15495%0.95381%0.809SS**  trans29.9136.3148.8-54.3-175.818.900123.1
71S33.8Very low33.7Very low110 Ų110153 Ų15377%0.76981%0.809SS**  trans-131.1174.6164.761.70000110.6
72P39.3Very low33.7Very low116 Ų116152.7 Ų152.775%0.75381%0.814SS**  trans-142131.2135.135.1-20.7000115.4
73S34.5Very low33.6Very low100 Ų100150.9 Ų150.970%0.69981%0.811SS**  30.7144.8107-50.30000119.8
74F31.5Very low33.7Very low169 Ų169153.3 Ų153.374%0.74182%0.818SS**  cis-168.3168.26.6-138.3-124.5000109.3
75Y33.4Very low33.7Very low224 Ų224151.4 Ų151.488%0.87882%0.817SS**  169.6154.7119.1-98.2-68.9000112.8
76A30.8Very low34Very low84 Ų84152.5 Ų152.569%0.69482%0.822SS**  trans-143.2168.6-179.800000111.6
77Y35.1Very low34.2Very low230 Ų230153.6 Ų153.690%0.90283%0.828SS**  trans-57.7164.7-179.9-67-91.6000114.5
78P38.6Very low33.9Very low127 Ų127149.7 Ų149.783%0.82582%0.819SS**  -137.9165.1110.439.2-30000114.7
79S31.8Very low33.9Very low115 Ų115147.7 Ų147.780%0.80481%0.814SS**  trans-109.1149.817351.20000111.8
80Q36.7Very low33.9Very low198 Ų198150.5 Ų150.593%0.92581%0.811SS**  trans-144.8158.5161.8-75.3-1602.100110.7
81T31.6Very low34Very low142 Ų142147.8 Ų147.887%0.87180%0.803SS**  trans-109.3145.9-169.450.90000112.8
82G32.1Very low34.1Very low79 Ų79151.8 Ų151.881%0.81481%0.807SS**  trans-147.5134.9165.200000110.7
83F31.9Very low34Very low200 Ų200152.4 Ų152.488%0.87781%0.811SS**  trans-95.7146.5173.4-83.5-107.7000109.7
84E33.9Very low33.8Very low198 Ų198150.5 Ų150.593%0.92581%0.807SS**  trans-158.8169.7131.3-117.3166.5178.100111.8
85Q34.1Very low34Very low184 Ų184151.7 Ų151.786%0.8681%0.812SS**  trans-100162.4-163.5-91.7-174.3-11.900114.2
86P38.1Very low34Very low120 Ų120148.8 Ų148.878%0.77981%0.807SS**  trans-85154.8-174.835.2-36000112.6
87D35.6Very low34.1Very low162 Ų162151.9 Ų151.987%0.86681%0.812SS**  trans-138.6167.5162.9-143.5-26.9000111.6
88S31Very low34Very low86 Ų86151.4 Ų151.460%0.60182%0.815SS**  trans-128.9152.1-155.859.80000115.2
89N31.6Very low33.9Very low134 Ų134149.9 Ų149.972%0.71781%0.812SS**  trans116.1160.5152.7-61.1-68.4000119.2
90F33.5Very low33.9Very low178 Ų178152.7 Ų152.778%0.78181%0.813SS**  trans8696.3159.9-73.8-72.5000122.3
91N35.3Very low34Very low147 Ų147149.5 Ų149.579%0.78681%0.81SS**  trans79.6119.1131.3-76.6-2.2000123.7
92K34.9Very low34Very low195 Ų195150.5 Ų150.585%0.84880%0.804SS**  trans-55.5157.2149-80.6178.2178177.50111.6
93P37.5Very low34Very low128 Ų128153 Ų15383%0.83180%0.803SS**  cis-125.4173.545.439.9-26.6000114.9
94G30.7Very low33.9Very low60 Ų60152.1 Ų152.162%0.61980%0.8SS**  cis123.290.9-2.700000114.4
95F35.4Very low33.8Very low194 Ų194148.9 Ų148.985%0.85179%0.794SS**  trans-165147.6158.4-108-68.5000113.2
96Q34.7Very low33.8Very low164 Ų164147.8 Ų147.877%0.76679%0.792SS**  trans57.1100.6155.8-82.2158.9400122.7
97N31.9Very low33.5Very low149 Ų149145 Ų14580%0.79779%0.786SS**  trans24.9129.4130.5-60.5-1.5000121.4
98F34.2Very low33.4Very low220 Ų220142.8 Ų142.897%0.96578%0.783SS**  -148.3152.9119.8-105.5-73.7000112.4
99A36.1Very low33.7Very low94 Ų94146.9 Ų146.978%0.77780%0.798SS**  trans-23139.6-171.400000122.3
100Q32.1Very low33.6Very low174 Ų174149.7 Ų149.781%0.81381%0.807SS**PPolyproline II helixtrans-91.9157.7149.5-72.3177.9-34.300110.6
101P36.9Very low33.7Very low132 Ų132145.7 Ų145.786%0.85781%0.806SS**PPolyproline II helixtrans-69.2138.3169.329.9-34.3000111.8
102Q32.9Very low33.7Very low162 Ų162143.9 Ų143.976%0.75781%0.805SS**PPolyproline II helixtrans-95.7137.1-179.2-79.1-89.9-59.400112.1F104Q102-F104 HydrophobicContact CB-CE2 4.38Å
103V31.5Very low33.6Very low132 Ų132142.8 Ų142.880%0.880%0.803SS**PPolyproline II helixtrans-81.2118.9164.7177.30000108.4
104F29.4Very low33.3Very low181 Ų181145.7 Ų145.779%0.79481%0.808SS**PPolyproline II helixtrans-85.8116.1-179.8-90.4-91.4000112.4Q102Q102-F104 HydrophobicContact CB-CE2 4.38Å
105T32.1Very low33.5Very low131 Ų131151.3 Ų151.380%0.80482%0.818SS**PPolyproline II helixtrans-100.5122.8161.6-60.10000108.6
106I33.4Very low33.6Very low160 Ų160147.6 Ų147.682%0.82181%0.813SS**  trans-96.3115.8176.1-61.6-180000109.1
107G33.7Very low33.7Very low63 Ų63146.5 Ų146.565%0.64982%0.818SS**  trans-90.6161.4-17900000114.2
108S33.5Very low33.8Very low115 Ų115147.3 Ų147.380%0.80482%0.817SS**  trans-73.4152.7173530000112.7
109N35.5Very low33.8Very low171 Ų171148 Ų14891%0.91482%0.815SS**  trans-134.3148168.4-96.5-42.3000110.6
110Q31.1Very low33.7Very low194 Ų194152.3 Ų152.391%0.90781%0.811SS**  trans-115140.9-175-60.5-179.88.400112.5
111A34.9Very low33.8Very low94 Ų94150.8 Ų150.878%0.77780%0.804SS**  trans-168147.6151.400000109.2
112S34.8Very low33.7Very low109 Ų109153.9 Ų153.976%0.76281%0.807SS**  cis-160.5141.6-20.3-97.30000110.5
113Q32.7Very low33.8Very low172 Ų172152.7 Ų152.780%0.80480%0.804SS**  trans12.1131160.8-52.6-179.517.200122
114M32.4Very low33.8Very low188 Ų188154.9 Ų154.993%0.92681%0.806SS**  -160.5170.7112.5-110.1-174-76.300112.2
115Q34.9Very low33.9Very low179 Ų179154.7 Ų154.784%0.83681%0.807SS**  trans-107.5161.4-153-66.7-171.510.900117.1
116P36.7Very low34.1Very low115 Ų115152.9 Ų152.975%0.74780%0.798SS**  trans-101.2179.7179.440.5-36.5000114.7
117T37.1Very low34.1Very low142 Ų142153.6 Ų153.687%0.87180%0.798SS**  trans-148.6150.8167.9-60.10000110.9
118Q35Very low33.9Very low165 Ų165159 Ų15977%0.77181%0.806SS**  trans-107.3170.4-173.9-59.6-164.1-3.400113.8
119Y32.8Very low34.1Very low235 Ų235158 Ų15892%0.92280%0.797SS**  -160.5-178.2125-113.8-76.2000112
120R34.8Very low34Very low184 Ų184158.1 Ų158.169%0.69479%0.792SS**  trans-146.4136.1-139.9179-176.4-178.1-174.86.6115.9
121Q34.8Very low34Very low143 Ų143156.4 Ų156.467%0.66878%0.784SS**  trans56137.2156.1-70.2169.8-12.100121.2
122Q34.5Very low33.7Very low197 Ų197163.4 Ų163.492%0.92179%0.792SS**  -159.9141.2115-109.4169.853.400115.9
123I34.2Very low33.5Very low136 Ų136168.5 Ų168.570%0.69780%0.795SS**  trans-60139.5-173.7-54158.7000114.6
124Q32.1Very low33.6Very low179 Ų179166.8 Ų166.884%0.83680%0.796SS**  179.3151.3117.2-116.5121.8126.800116
125Q30.5Very low33.6Very low176 Ų176164.5 Ų164.582%0.82279%0.786SS**  trans-123.4-173.5167.8-90.3-166.620.900107.4
126P37.1Very low33.5Very low94 Ų94160.7 Ų160.761%0.6179%0.785SS**  cis-140.4-175.49.234-9.8000116.6
127Q32.5Very low33.6Very low174 Ų174161.3 Ų161.381%0.81379%0.787SS**  153.2149.5124.5-76.8-59.40.200113.8
128Q30Very low33.6Very low176 Ų176160 Ų16082%0.82278%0.781SS**  trans-117.8-156174.8-52.5-173.9-6.500109.2
129P37.2Very low33.6Very low96 Ų96160.5 Ų160.562%0.62379%0.788SS**  cis-135.7-175.2-17.439.5-21000114.4
130Q33.4Very low33.8Very low172 Ų172158.2 Ų158.280%0.80479%0.786SS**  178.3163.7117.4-92.7-56.4-9.500113.6
131Q30.9Very low33.7Very low159 Ų159155.8 Ų155.874%0.74379%0.792SS**  trans-106.9162.1-170.9-62.1-177-10.500115.4
132Y29.2Very low33.7Very low241 Ų241156.1 Ų156.195%0.94580%0.803SS**  trans-141.3149.9148.6-95.4-83.9000110.8
133R31.8Very low33.5Very low215 Ų215153.8 Ų153.881%0.81180%0.797SS**  trans-156.6132.9-171.5-166.3-170.3-157.1-146.29.3112.3
134V33.3Very low33.4Very low136 Ų136155.8 Ų155.882%0.82481%0.806SS**  trans-144.1102.5170.2-175.60000106.2
135I33.6Very low33.5Very low140 Ų140150.9 Ų150.972%0.71880%0.803SS**  76.1121.776.9-63.1164.3000112.7
136A33.1Very low33.6Very low99 Ų99151.3 Ų151.382%0.81881%0.805SS**  trans-136.9155.2169.800000109.1
137T38.9Very low33.4Very low129 Ų129154 Ų15479%0.79181%0.813SS**  trans-143.4129.2-171.247.90000112.7
138P35.3Very low33.4Very low115 Ų115151.9 Ų151.975%0.74781%0.808SS**  trans-94.6163.4174.337.6-34.2000112.8
139L36.4Very low33.4Very low174 Ų174147.7 Ų147.791%0.91180%0.803SS**  trans-136.2145.9166.5-86169.1000110.3
140Q35.9Very low33.2Very low188 Ų188153.9 Ų153.988%0.87982%0.816SS**  trans-122.4167.9175.1-92.5-169.2-12.100111.9
141T34Very low33.4Very low133 Ų133150.9 Ų150.982%0.81681%0.811SS**  trans-81.2158.8-167.948.10000114.2
142T33.2Very low33.3Very low149 Ų149149.4 Ų149.491%0.91481%0.813SS**  trans-146.4155.6150-370000109.8
143N32Very low33.6Very low148 Ų148143.9 Ų143.979%0.79181%0.809SS**  trans-105.8166.9-169.1-169-1000111.3
144M31.8Very low33.6Very low178 Ų178142.3 Ų142.388%0.87781%0.811SS**  trans136142.8154.7-75.7-75.4-82.400113.7
145G33.9Very low33.6Very low76 Ų76141.6 Ų141.678%0.78481%0.812SS**  trans117.896.4152.200000117.6
146Q32.3Very low33.4Very low185 Ų185143.1 Ų143.186%0.86482%0.822SS**  trans-51.6154.9169.6-57.7157.9-1100114.9
147L32.5Very low33.5Very low150 Ų150144 Ų14479%0.78582%0.822SS**  -178.6147.1119.9-96.4160.8000113.1
148N32.6Very low33.1Very low131 Ų131146.1 Ų146.170%0.70182%0.823SS**  trans37.3118161.2-54.8-12.9000119.3
149A30.9Very low33.2Very low87 Ų87145.3 Ų145.372%0.71982%0.818SS**  cis69.2109.533.800000116.1
150Y32.7Very low32.9Very low227 Ų227141 Ų14189%0.8980%0.802SS**  trans-170.9163.3146.2-89.4-50.3000109.4
151P36.5Very low32.8Very low109 Ų109141.4 Ų141.471%0.70880%0.797SS**  trans-132.7166.7-138.339.8-21.5000118.1
152V30.5Very low32.8Very low127 Ų127141.4 Ų141.477%0.7779%0.792SS**  trans17.7121.7147-173.10000118.8Q154V152-Q154 HydrophobicContact CG1-CG 4.38Å
153S34.8Very low32.7Very low126 Ų126138.6 Ų138.688%0.88178%0.784SS**  trans-134.7141.614558.30000110
154Q30.9Very low32.5Very low182 Ų182139.1 Ų139.185%0.8578%0.782SS**  trans-102.8145.4-177-62.9172.4-9.800111V152V152-Q154 HydrophobicContact CG1-CG 4.38Å
155S33.9Very low32.4Very low120 Ų120136.2 Ų136.284%0.83978%0.776SS**  trans-151.9124.3152.653.20000110.9
156N29.6Very low32.4Very low172 Ų172138.1 Ų138.192%0.9277%0.768SS**  trans-82.8135.1174.8-81.7-34000110.7
157S34.4Very low32.3Very low119 Ų119134.6 Ų134.683%0.83276%0.759SS**  trans-152.170.2156.364.60000112.2
158Q31.8Very low32.2Very low173 Ų173133.8 Ų133.881%0.80875%0.754SS**  trans-63170.4147.1-90.8-96.8-24.500109.9
159P37.6Very low32.2Very low98 Ų98137.7 Ų137.764%0.63676%0.76SS**  cis-135.6-1795.540.7-23.7000116
160S30.1Very low32Very low82 Ų82143.4 Ų143.457%0.57377%0.77SS**  trans67163.9142.2-87.10000121.5
161Y33.6Very low32Very low197 Ų197136.3 Ų136.377%0.77377%0.765SS**  cis-144.3157.5-0.3-115.6-51.2000110.6
162N32.2Very low31.8Very low133 Ų133140 Ų14071%0.71177%0.773SS**  trans36.3121.2155.5-61.9-10.3000119.4
163A31.1Very low31.9Very low90 Ų90140 Ų14074%0.74478%0.779SS**  cis65.9107.537.700000115.5
164Q29.8Very low31.9Very low160 Ų160137.6 Ų137.675%0.74877%0.774SS**  trans-163.2119.4147-127.1-179-0.400112.1N166Q164-N166 PolarHBondContact NE2-ND2 3.15Å; Q164-N166 PolarHBondContact OE1-ND2 3.23Å
165P29.5Very low32.1Very low117 Ų117137.9 Ų137.976%0.7678%0.776SS**  trans-97.1115.8157.332.8-24.4000109.6
166N32.5Very low32.1Very low116 Ų116137.5 Ų137.562%0.6277%0.768SS**  trans-125.7135170.1-67.5-38000108.3Q164Q164-N166 PolarHBondContact NE2-ND2 3.15Å; Q164-N166 PolarHBondContact OE1-ND2 3.23Å
167V31.6Very low32.3Very low111 Ų111136.6 Ų136.667%0.67376%0.759SS**  cis81.195.230.4-172.20000113.2
168I29.9Very low32.3Very low132 Ų132138 Ų13868%0.67775%0.752SS**  trans55.3122.5145.8-45.1165.8000118.3
169Y31.7Very low32.4Very low213 Ų213137.2 Ų137.284%0.83575%0.748SS**  177.4140.8111-105.5-73.9000114.6
170F27.9Very low32.2Very low208 Ų208139.7 Ų139.791%0.91276%0.755SS**  trans-71.5136.2152.7-94.6-104.1000109.1
171G32.9Very low32.5Very low78 Ų78140.7 Ų140.780%0.80476%0.76SS**  trans-163.7132.2174.500000112.1
172Q32.1Very low32.3Very low185 Ų185138.4 Ų138.486%0.86476%0.76SS**  trans-100.7159.6-177.5-67.5-174.9-4.300112.9
173S31.8Very low32.4Very low128 Ų128140.1 Ų140.190%0.89576%0.764SS**  trans69.7143.6161.876.80000117
174G35.4Very low32.6Very low76 Ų76144.6 Ų144.678%0.78477%0.769SS**  trans173.528.4-174.400000120
175Q34.6Very low33.3Very low188 Ų188142 Ų14288%0.87977%0.767SS**  trans-138.4134.6156-67.2-163.99.800107.5
176T34.2Very low33.6Very low112 Ų112147 Ų14769%0.68777%0.772SS**  -156.5132.861.3-59.90000113.3
177Q32.9Very low34.2Very low153 Ų153149 Ų14972%0.71578%0.777SS**  trans69.1142.7155.1-79-177.451.400123.5
178Q35Very low34.6Very low149 Ų149148.2 Ų148.270%0.69677%0.774SS**  trans68.5141.9150-71.717759.300119.8
179Q33.1Very low34.9Very low155 Ų155149.6 Ų149.672%0.72478%0.778SS**  cis-167.1154.3-29-129.3-179.332.500110.4
180L34Very low35Very low150 Ų150144 Ų14479%0.78577%0.766SS**  trans71.3157.7158.2-64.7165.5000119.2
181P36.2Very low35.3Very low103 Ų103141 Ų14167%0.66976%0.755SS**  trans-144-165.9-143.943.7-22.8000117.6
182L30.6Very low35.4Very low149 Ų149144 Ų14478%0.7875%0.748SS**  trans70.9107.1151-79.9170.8000121.3
183Q34.7Very low35.4Very low170 Ų170143 Ų14379%0.79474%0.743SS**  170.6128.7106.3-96.6165.910700117.6
184Q35Very low35.6Very low183 Ų183143.3 Ų143.386%0.85574%0.739SS**  trans51.1160.6131.9-71.6-156.1-2.800125.6
185P44.7Very low35.6Very low106 Ų106142.6 Ų142.669%0.68873%0.732SS**  trans-126.9-176.9-159.445-30.2000116.1
186Y35.9Very low35.6Very low221 Ų221142.6 Ų142.687%0.86773%0.732SS**  trans-146.5125.6165.2-100.8-92.4000114
187H44Very low35.6Very low160 Ų160142.3 Ų142.374%0.74173%0.73SS**  19.9167.9127.4-86.4-84.1000123.1
188P41Very low35.8Very low93 Ų93141.3 Ų141.360%0.60473%0.728SS**  cis-142.2171.6-15.440.7-22.6000116.9
189E35.1Very low35.5Very low162 Ų162144.8 Ų144.876%0.75774%0.736SS**  trans44163.5130.8-64.6179.3102.500123.9
190T33.5Very low35.5Very low95 Ų95142 Ų14258%0.58374%0.739SS**  cis-162.31712.66.60000113
191Q34.8Very low35.4Very low144 Ų144146.5 Ų146.567%0.67375%0.746SS**  trans71150.9144.8-74.2167.785.200118.8
192Q35.9Very low35.6Very low142 Ų142147.4 Ų147.466%0.66475%0.752SS**  cis-154.8-178.1-7.9-131.7164.532.600114
193Q32Very low35.7Very low164 Ų164144.9 Ų144.977%0.76675%0.752SS**  trans-44.4166.6173.3-54.5145.6800114.7
194V35.3Very low35.6Very low135 Ų135141.8 Ų141.882%0.81875%0.75SS**  cis-154.7154.537.2177.90000107.4
195G34.6Very low35.5Very low61 Ų61141.5 Ų141.563%0.62975%0.749SS**  cis140.1159.11.900000111.3
196Q35.6Very low34.7Very low187 Ų187141.7 Ų141.787%0.87475%0.752SS**  trans73.2148.8168.2-58.3-161.96.800117.9
197V34.5Very low34.6Very low106 Ų106141.5 Ų141.564%0.64275%0.752SS**  cis-161.4141.7-8.1121.20000112.1
198I35.5Very low34.2Very low132 Ų132137.9 Ų137.968%0.67775%0.749SS**  trans46.4104.6146-57176.2000118.4
199Y30.1Very low34.2Very low223 Ų223138.8 Ų138.888%0.87576%0.755SS**  57.7112.790.6-61.3-65.3000118.1
200A33.1Very low34.4Very low95 Ų95137.2 Ų137.279%0.78576%0.759SS**  173.1105128.700000108.3
201R31.9Very low34.4Very low245 Ų245135.1 Ų135.193%0.92576%0.756SS**  75.8146.884.3-92.9-156.1166.8-168.8-2.7114.8
202P40.4Very low34.4Very low122 Ų122135.1 Ų135.179%0.79277%0.766SS**  trans-109.1159.2-149.540.1-34.2000114.7
203A31.9Very low34.3Very low96 Ų96131.5 Ų131.579%0.79376%0.761SS**  trans-151.4134.7153.900000112
204S32Very low34.3Very low106 Ų106134.5 Ų134.574%0.74177%0.766SS**  trans-4.4121.4149.7-440000118.6
205Q33.9Very low34.3Very low177 Ų177133.7 Ų133.783%0.82776%0.764SS**  -166.1154.2123.2-108.4149.1108.100113.5
206S28.6Very low34.1Very low109 Ų109137 Ų13776%0.76277%0.772SS**  trans-75.9121.1173.249.70000111.3
207Y33.9Very low33.9Very low218 Ų218136.8 Ų136.886%0.85577%0.771SS**  trans-146.1141.4164.8-97.4-78.4000112.7
208A33.9Very low33.8Very low83 Ų83135.5 Ų135.569%0.68677%0.772SS**  trans-138.8176.8160.200000106.1
209P42.7Very low33.7Very low112 Ų112137.3 Ų137.373%0.72778%0.777SS**  cis-112.6-137.3-12.728.1-4.7000109.3
210P39.1Very low33.7Very low130 Ų130135.7 Ų135.784%0.84478%0.775SS**  -123.9164.160.540-31.9000114.4
211G33.2Very low33.8Very low51 Ų51136.5 Ų136.553%0.52677%0.77SS.*  cis137.523.8-1.800000116.7A213G211-A213 WeakPolarHBondContact O-CB 3.37Å
212T34.9Very low33.9Very low144 Ų144132.3 Ų132.388%0.88376%0.761SS**  trans-133.390.6173.631.60000108.5
213A32.7Very low33.7Very low66 Ų66135 Ų13555%0.54576%0.763SS.*  cis79.296.222.500000115.1G211G211-A213 WeakPolarHBondContact O-CB 3.37Å
214Y31.6Very low34.2Very low226 Ų226135.8 Ų135.889%0.88676%0.761SS**  trans73158.2156-56.9-69.5000119.9
215P36.9Very low34.4Very low119 Ų119137.9 Ų137.977%0.77376%0.763SS**  cis-125.6165-18.728.4-9000114.6
216T30.5Very low34.4Very low130 Ų130135.6 Ų135.680%0.79876%0.761SS**  trans-75.5162.1160.1-40.70000110.7
217Q31.1Very low34.8Very low183 Ų183134.3 Ų134.386%0.85577%0.765SS**  trans97.8136.3158.5-57.3-168.6-1200119.7
218A32.4Very low34.8Very low79 Ų79130 Ų13065%0.65376%0.762SS**  trans86.498.7139.700000120.8
219Q32.6Very low34.8Very low170 Ų170134 Ų13479%0.79477%0.771SS**  79.2134.4122.4-68.3177.3-4.400120.1
220F31.3Very low34.2Very low189 Ų189132.7 Ų132.783%0.82977%0.765SS**  trans22.9129.3143.8-60.9-97.1000117.6
221T33.3Very low34.1Very low111 Ų111136.3 Ų136.368%0.68177%0.768SS**  -17113761.2-54.70000112.2
222Q36Very low34.2Very low158 Ų158142 Ų14274%0.73878%0.78SS**  trans26.6133.1152.6-56.6177.687.500123.5
223Q36.2Very low34.2Very low177 Ų177141.2 Ų141.283%0.82778%0.778SS**  trans82.2154.8136.4-78.2-174.12.500120.6
224P41.1Very low34.3Very low114 Ų114142.9 Ų142.974%0.7478%0.781SS**  trans-112.9173.4-157.742.6-33.5000113.9
225D36.3Very low34.5Very low150 Ų150138.3 Ų138.380%0.80277%0.772SS**  trans-149.2174142.3-138.8-39.7000112.4
226T34.7Very low34.3Very low128 Ų128140.1 Ų140.179%0.78577%0.771SS**  trans-74.2156.7-164.148.70000116
227G36.3Very low34.5Very low82 Ų82142 Ų14285%0.84577%0.774SS**  trans-168.370.8-178.900000114.3
228T33Very low34.7Very low128 Ų128139.3 Ų139.379%0.78577%0.771SS**  trans-70.3137.9-174.7-51.50000114.4
229L34.3Very low35Very low166 Ų166141.5 Ų141.587%0.86978%0.779SS**  trans-152.2143142.5-109.9174.4000110.6
230S31.2Very low35Very low86 Ų86139.1 Ų139.160%0.60178%0.78SS**  trans-146.3144.4-166.959.40000112.5
231F36.4Very low35.3Very low206 Ų206135.4 Ų135.490%0.90478%0.778SS**  trans-131.7144.8164.3-85.3-82.8000111.5
232Q34.6Very low35.4Very low170 Ų170138.3 Ų138.379%0.79478%0.784SS**  trans-102.4157.3-169.7-55.7168.8-70.800112
233P35.7Very low35.3Very low127 Ų127136.5 Ų136.583%0.82579%0.786SS**  trans-111.6145.2141.635.4-28.2000110.5
234T34.2Very low35.2Very low102 Ų102134.8 Ų134.863%0.62678%0.781SS**  trans-156146.7172.6-46.70000110.5
235N36.7Very low34.9Very low129 Ų129135.5 Ų135.569%0.6978%0.783SS**  trans69.6147.7173.9-64.4-34.1000117.5
236Q32.1Very low34.8Very low158 Ų158135.8 Ų135.874%0.73878%0.783SS**  cis-171.9141.1-35.2-127.5-172.996.900107.7
237L34.6Very low34.7Very low168 Ų168137.2 Ų137.288%0.8878%0.781SS**  trans160.6158.8138.8-87.4161.4000111.7
238T36.3Very low34.6Very low128 Ų128139.4 Ų139.479%0.78578%0.781SS**  trans-103.6158.3-162.442.70000114.6
239P37.4Very low34.6Very low125 Ų125140.4 Ų140.481%0.81278%0.781SS**  trans-92.8171.8-170.638.1-38.1000114.7
240S33.9Very low35Very low119 Ų119140.3 Ų140.383%0.83278%0.776SS**  trans-137.6136.216259.20000111.3
241S36.8Very low35.3Very low112 Ų112144 Ų14478%0.78378%0.784SS**  trans-96.4144-170-36.70000113
242Q35.3Very low35.2Very low171 Ų171139.9 Ų139.980%0.79978%0.775SS**  trans-156.2130.2142.2-75.2-153.85.600111.7
243P34.5Very low35.1Very low121 Ų121137.8 Ų137.879%0.78677%0.769SS**  trans-100.4134.4156.734.5-26.6000110.6
244I34Very low35.2Very low141 Ų141139.2 Ų139.272%0.72377%0.765SS**  trans-110.1108.8174.9-63.3179.1000109.7
245T33.9Very low35.3Very low128 Ų128139.7 Ų139.779%0.78577%0.768SS**PPolyproline II helixtrans-87.1128.6168.4-57.60000109.6
246I35.6Very low35.2Very low156 Ų156138.5 Ų138.580%0.877%0.765SS**PPolyproline II helixtrans-85125.2173.7-62.6178.2000109
247Q32.6Very low35.3Very low159 Ų159138.3 Ų138.374%0.74376%0.764SS**PPolyproline II helixtrans-80.7168.3174.7-59.7-175.9-6.200111.2
248P32.8Very low35.4Very low128 Ų128137.4 Ų137.483%0.83176%0.756SS**  -137.1144.394.937-27.4000113.7
249N34.4Very low35.4Very low148 Ų148137.4 Ų137.479%0.79175%0.751SS**  trans-152.5169150.2-139.5-23.2000112.7
250H41.7Very low35.3Very low164 Ų164140.7 Ų140.776%0.75975%0.753SS**  trans-99147.8-166.1-98.46.7000115.7
251Q37Very low35.4Very low165 Ų165141.2 Ų141.277%0.77175%0.746SS**  trans68.8110.8142.5-70.6-174.3-9.100122.9
252V34.8Very low35.4Very low119 Ų119143.9 Ų143.972%0.72175%0.746SS**  7197.6117.3-179.50000119.4
253N33.3Very low35.5Very low126 Ų126140 Ų14067%0.67474%0.743SS**  trans71.3126.5130.1-77.1-9.4000123.9
254Q37.1Very low35.5Very low156 Ų156139.6 Ų139.673%0.72974%0.743SS**  trans75.4138.1134.2-65.7178.756.900117.4
255T35.6Very low35.5Very low113 Ų113142.6 Ų142.669%0.69375%0.746SS**  cis-157.2157.55.8-4.50000113.5
256T35.2Very low35.5Very low103 Ų103143.3 Ų143.363%0.63274%0.738SS**  trans73.3101.6138.5-62.90000121.5
257Q34.7Very low35.5Very low155 Ų155143.5 Ų143.572%0.72474%0.736SS**  64.9155.5126.9-60.7178.642.900120.1
258Q37.1Very low35.5Very low149 Ų149143.9 Ų143.970%0.69674%0.737SS**  cis-148168.80.7-135.8-178.379.500113
259N35.1Very low35.5Very low127 Ų127144.9 Ų144.968%0.67974%0.741SS**  trans-50.2156.4176.4-63.2-52000116.2
260F36.4Very low35.5Very low194 Ų194142 Ų14285%0.85173%0.732SS**  -153.7174.598.8-112.5-81.1000111.7
261N35.7Very low35Very low130 Ų130141.7 Ų141.770%0.69574%0.736SS**  trans-151.8171.1-144.6-162.1-5.1000112.5
262Q37.4Very low35.1Very low169 Ų169139.4 Ų139.479%0.7974%0.735SS**  trans77.6154.1171.5-60.917586.700117.8
263A36.2Very low35.1Very low88 Ų88141.2 Ų141.273%0.72774%0.739SS**  cis-166.3162.8-2400000112.6
264S35.3Very low35.3Very low114 Ų114141 Ų14180%0.79775%0.745SS**  trans-50.5158.2175.6-28.80000117.8
265R33.7Very low35Very low203 Ų203139 Ų13977%0.76675%0.748SS**  178.2153.9113.4-108.8168.7162.6-167.1-4.8117.9
266F33.4Very low35Very low143 Ų143138.7 Ų138.763%0.62775%0.75SS**  trans66.6153.5149-64.9-38000120.6
267Q35.5Very low34.9Very low160 Ų160143 Ų14375%0.74876%0.763SS**  cis-162.7173.5-36.8-138.8174.28.300111.5
268H32.2Very low34.6Very low168 Ų168141.7 Ų141.778%0.77877%0.766SS**  trans-56.4147.7179.7-67.1-111.8000116.9
269V33.8Very low34.7Very low149 Ų149140.1 Ų140.190%0.90377%0.769SS**  trans-145.5162.3132.7-175.20000108.3
270S34.2Very low34.5Very low87 Ų87142 Ų14261%0.60877%0.773SS**  trans-130.7158.1-169.6-46.90000114.5
271N31Very low34.4Very low157 Ų157142.4 Ų142.484%0.8478%0.775SS**  trans66.8165.8157.6-69.93.7000118.6
272P39Very low34.2Very low117 Ų117144 Ų14476%0.7678%0.779SS**  cis-132.1-170.1-36.136.4-18.2000113.6
273I35.3Very low34.1Very low157 Ų157141.7 Ų141.781%0.80578%0.776SS**  trans-66.3145.5-179.2-56.2157.5000113.4
274P37.4Very low33.9Very low122 Ų122145.1 Ų145.179%0.79278%0.777SS**  trans-130.8157131.338-29.7000113.5
275S30.4Very low33.8Very low115 Ų115144.9 Ų144.980%0.80477%0.767SS**  trans-108131.3-179.951.50000112.6
276S35.1Very low33.8Very low105 Ų105141.7 Ų141.773%0.73476%0.76SS**  trans-163.7120.5167.459.30000116.1
277Q33.4Very low33.7Very low193 Ų193143.1 Ų143.190%0.90277%0.769SS**  trans69.1144.7133.2-60.4-179.213.100122.3
278T29.3Very low33.6Very low129 Ų129139.3 Ų139.379%0.79177%0.765SS**  trans-83.9150.1-178.3-32.10000112.7
279P38.4Very low33.6Very low115 Ų115142 Ų14275%0.74777%0.77SS**  trans-88108.9156.132.5-28.2000110.8
280Q31.3Very low33.6Very low166 Ų166140.4 Ų140.478%0.77677%0.765SS**  trans-94.5135.6154.1-124.4-166.92.200107.7
281F35.2Very low33.4Very low204 Ų204145 Ų14590%0.89578%0.777SS**  trans-122.5128.8163.9-100.1-84.5000110.6
282Q30.4Very low33.5Very low163 Ų163145.5 Ų145.576%0.76278%0.778SS**  trans-98.3158.8177.4-60.2172-27.500110
283V35.9Very low33Very low121 Ų121149.1 Ų149.173%0.73379%0.785SS**  trans170.5110.1142.3145.90000104.8
284Q32.3Very low32.9Very low160 Ų160146.8 Ų146.875%0.74878%0.782SS**  56.7135.590-78.6-178.5-15.400112.8
285N32Very low32.5Very low109 Ų109150.6 Ų150.658%0.58379%0.787SS**  cis-163.2161.226.2-132.5-18.4000113.7
286Q34.8Very low32.5Very low135 Ų135150.8 Ų150.863%0.63179%0.785SS**  trans61.9119.5151.1-72.1169.979.100119
287Q31.4Very low32.2Very low173 Ų173154.8 Ų154.881%0.80879%0.792SS**  64.7134.793.8-61.617223.500113.3
288A32.9Very low32.3Very low80 Ų80150.2 Ų150.266%0.66178%0.779SS**  cis-160.3-179.735.100000114.7
289Y31.8Very low32.3Very low226 Ų226152.4 Ų152.489%0.88678%0.784SS**  trans-0.4150.3160.2-56.1-73.8000120.8
290S34.4Very low32Very low115 Ų115151.3 Ų151.380%0.80478%0.784SS**  cis-158.5172.720.829.40000113.9
291Q30.5Very low32Very low184 Ų184151.3 Ų151.386%0.8678%0.784SS**  trans-64.4155.8175.7-54.41654.700114.3
292I32.6Very low32.2Very low166 Ų166146.3 Ų146.385%0.85177%0.772SS**  trans-164.9150.7130.9-101.4154.8000109.8
293Q29.5Very low32.3Very low194 Ų194148.5 Ų148.591%0.90778%0.775SS**  trans-101.8126.4-179.7-61.2169.7-14.800111.5
294S32.3Very low32.2Very low108 Ų108148 Ų14876%0.75577%0.773SS**  trans-162.3111.8156.856.60000115
295K29.1Very low32.3Very low202 Ų202145.8 Ų145.888%0.87878%0.775SS**  trans15.9133.6136.6-149.3170.9-174177.50119.5
296P29.8Very low32.2Very low118 Ų118149.1 Ų149.177%0.76679%0.787SS**  trans-84149.8-176.634.7-36.8000114.8
297Q28.6Very low32.1Very low190 Ų190148.6 Ų148.689%0.88879%0.793SS**  trans-173.4166.7156.6-97-88-54.900109.9
298P36.8Very low32Very low97 Ų97145.9 Ų145.963%0.6378%0.784SS**  trans-105-177.2-166.741.7-35.5000114.6
299I27.9Very low32Very low175 Ų175151 Ų15190%0.89779%0.792SS**  trans162.3151.8163-91154.8000106.9
300A32.4Very low32Very low91 Ų91144.9 Ų144.975%0.75277%0.774SS**  cis-141.1173.821.900000114.9
301Q31.6Very low31.9Very low166 Ų166146.9 Ų146.978%0.77677%0.771SS**  trans-96.7-170.1165.7-62.7-177.7-28.600111.5
302P38.6Very low32.1Very low99 Ų99145.3 Ų145.364%0.64377%0.767SS**  -143.3179.588.445.1-31.5000113.2
303Y34.1Very low31.9Very low210 Ų210144.3 Ų144.382%0.82476%0.758SS**  cis-134.9-179.38.1-100.6-64000112.1
304T32.3Very low32.2Very low111 Ų111142.2 Ų142.268%0.68175%0.749SS**  trans-121.4140.6-155.253.60000117.9
305S34.1Very low32.1Very low113 Ų113146.3 Ų146.379%0.7975%0.753SS**  trans-171.2110.8138.7400000109.1
306Q30.1Very low32.4Very low179 Ų179142.1 Ų142.184%0.83675%0.746SS**  51.1123.481.6-60.1-170.71500113
307T33Very low32.4Very low124 Ų124139.9 Ų139.976%0.76174%0.738SS**  cis-132.4149.819.240.60000111.6
308N29.8Very low32.4Very low115 Ų115139.6 Ų139.662%0.61574%0.736SS**  cis84.9101.134.7-171.919.3000115.4N310N308-N310 PolarHBondContact OD1-ND2 3.37Å
309F31.7Very low32Very low189 Ų189141.3 Ų141.383%0.82975%0.745SS**  trans-175.9112138.7-104.9-85.2000105.6
310N33.7Very low32.2Very low96 Ų96136.6 Ų136.651%0.51373%0.732SS.*  62.3136.877.4-66-40.1000113.2N308N308-N310 PolarHBondContact OD1-ND2 3.37Å
311Q30.9Very low32.1Very low157 Ų157141.1 Ų141.173%0.73474%0.737SS**  cis-168-172.50.5-119.216531.900110.1
312I35.2Very low32Very low151 Ų151138.1 Ų138.177%0.77474%0.735SS**  trans79.3141.6164.6-43.5179.4000115.9
313E29.3Very low31.4Very low145 Ų145139.2 Ų139.268%0.67874%0.74SS**  cis-172.7169.7-40.1-155173.6133.600106.7
314H35.4Very low31.1Very low151 Ų151140.8 Ų140.870%0.69974%0.744SS**  trans67.6126.1171.6-42.2-52.2000115.5
315K30.7Very low30.9Very low193 Ų193139.7 Ų139.784%0.83974%0.741SS**  cis59.5141.17.1-92.1-160.9169-179.30117.1
316P34Very low30.8Very low114 Ų114138.9 Ų138.974%0.7474%0.741SS**  cis-139.2-142-25.741.1-20.8000111
317A29.8Very low30.7Very low72 Ų72139.3 Ų139.360%0.59574%0.743SS**  trans85.9127.6158.900000116.1
318Q28.2Very low30.7Very low184 Ų184140 Ų14086%0.8675%0.747SS**  69.8139.891.9-62169.2-9.800112.4
319V29.8Very low30.8Very low132 Ų132141 Ų14180%0.875%0.753SS**  -156.9144.265.4157.10000112.9
320A32.5Very low30.7Very low76 Ų76138.1 Ų138.163%0.62875%0.746SS**  trans20.8145.5148.200000122.1
321H28.9Very low30.7Very low186 Ų186139.9 Ų139.986%0.86176%0.755SS**  cis61.685.946.7-72.8-79.6000116.6
322S29.6Very low30.9Very low104 Ų104139.6 Ų139.673%0.72775%0.754SS**  trans-174.1127.5144.245.20000108.6
323T27.1Very low30.8Very low122 Ų122138.4 Ų138.475%0.74875%0.754SS**  cis79.59041.6-520000113.7
324W27.7Very low31Very low242 Ų242139.1 Ų139.192%0.91776%0.76SS**  trans-151.2115.7150.9-84.886.1000106.3
325S27.2Very low31.2Very low89 Ų89138 Ų13862%0.62276%0.76SS**  cis97.58125.984.20000115.7
326A32.5Very low31.4Very low95 Ų95133.6 Ų133.679%0.78575%0.745SS**  trans-159.5119.4154.200000106.1
327Q27.2Very low31.5Very low188 Ų188138.9 Ų138.988%0.87975%0.751SS**  cis62.182.233.8-75-167.5-2300115.5
328T33.5Very low31.8Very low139 Ų139138.7 Ų138.785%0.85376%0.755SS**  -172.1114126.835.80000106.5
329N31.9Very low32.4Very low135 Ų135139.4 Ų139.472%0.72276%0.755SS**  79.896.552.1-159.517.4000113.9
330N30.7Very low32.6Very low129 Ų129140.2 Ų140.269%0.6975%0.75SS**  trans53.9147.1150-68-14.7000123.2
331N32.8Very low32.7Very low133 Ų133144 Ų14471%0.71176%0.755SS**  trans71.2150.7154-64.8-22.4000117.3
332Q34.5Very low33.1Very low151 Ų151140.8 Ų140.871%0.70674%0.74SS**  cis-163.2139.2-8.4-114.1167.727.900110.9
333V33.2Very low33.2Very low126 Ų126144.9 Ų144.976%0.76474%0.741SS**  trans66.5165.1136.9-176.70000118.8
334I34.5Very low33.4Very low160 Ų160145.9 Ų145.982%0.82174%0.737SS**  trans73132.2174.9-41.6-174.5000115.9
335D39.8Very low33.7Very low128 Ų128142.4 Ų142.468%0.68473%0.731SS**  cis167.3143.8-30.6176.540.2000107.2
336N35Very low34Very low101 Ų101146.1 Ų146.154%0.5474%0.739SS.*  trans59.4136.5153.1-92.2-49.5000126.1
337R34.7Very low34.1Very low225 Ų225150.3 Ų150.385%0.84974%0.742SS**  trans77.7113.8135.7-68.8162.3-165.9-166.30.5122.9
338G37.4Very low34.3Very low67 Ų67150.1 Ų150.169%0.69174%0.741SS**  trans168.9104.3151.200000109.9
339K40.5Very low34.3Very low199 Ų199149 Ų14987%0.86574%0.736SS**  53.9137.684.2-72.6-170.6177.4-175.10114.3
340Q33.3Very low34.3Very low149 Ų149148.3 Ų148.370%0.69674%0.737SS**  cis175.4157.1-21.6-130.3-175.515.900107.5
341Q35.6Very low34.1Very low156 Ų156150.9 Ų150.973%0.72974%0.744SS**  trans67.6160.6161.7-58.8168.441.400116
342H37Very low33.9Very low119 Ų119149.8 Ų149.855%0.55174%0.743SS**  cis-159157.6-14.6-130.6-80.5000105.4
343Y31Very low33.7Very low190 Ų190152.7 Ų152.775%0.74575%0.749SS**  cis-127.41726.1-78-101.4000108.7
344Q31.9Very low33.3Very low143 Ų143154.9 Ų154.967%0.66875%0.751SS**  cis88.687.815.5-167.6-166.741.400117.9
345Q33.9Very low33Very low168 Ų168155.8 Ų155.879%0.78575%0.752SS**  trans176.8138.1141.7-104.9-1717400109
346Q33.7Very low32.5Very low168 Ų168156.8 Ų156.879%0.78576%0.762SS**  cis-134.3158.9-1.2-66.6175.20.500110.9
347Q33.3Very low32.2Very low182 Ų182160 Ų16085%0.8577%0.774SS**  trans-142.1151.7164.6-61.4177.312.600108.1
348Q32.1Very low31.8Very low185 Ų185155 Ų15586%0.86477%0.769SS**  trans-163132.2144.3-78.8-143.839.300111.5
349P32.8Very low31.5Very low115 Ų115158.4 Ų158.475%0.74777%0.771SS**  trans-120.1146.7169.838.4-27.8000114.2
350V32.3Very low31Very low120 Ų120156.5 Ų156.573%0.72777%0.765SS**  trans-148.4118.6170.6-163.90000105.9
351Q26.9Very low30.8Very low183 Ų183156 Ų15686%0.85577%0.767SS**  66.3151.465.4-71.5-157.51.200115.8
352T29.3Very low30.4Very low111 Ų111154.6 Ų154.668%0.68176%0.764SS**  trans68.3135.1-171.13.30000113.6
353Y28.9Very low30.2Very low211 Ų211155.9 Ų155.983%0.82778%0.78SS**  cis-130.2149.114.7-79.3-98.5000114.1
354Q25.6Very low30.1Very low173 Ų173154.3 Ų154.381%0.80878%0.78SS**  trans-110.8171.1148-79.6-171.8-1200108.7
355Q27.6Very low30.1Very low178 Ų178154.1 Ų154.183%0.83278%0.783SS**  trans70.695.6171.6-51.6-177.514.300117
356V30.2Very low29.9Very low149 Ų149152 Ų15290%0.90378%0.782SS**  trans-131.6123.8130.8-179.60000107.3
357Q28.5Very low29.9Very low168 Ų168152 Ų15279%0.78579%0.787SS**  trans-96150.4171.8-72.5178-26.900110.3
358T25.5Very low30.2Very low122 Ų122149 Ų14975%0.74878%0.783SS**  trans44.894.6150.955.80000118.7
359N31.5Very low30.2Very low138 Ų138145.4 Ų145.474%0.73878%0.776SS**  -168.3114.9129-91.3-33.6000108
360Q30.9Very low30Very low159 Ų159147.1 Ų147.174%0.74378%0.777SS**  86.4124.568.7-81.6-162.693.900114.4
361L28.5Very low29.9Very low139 Ų139147.9 Ų147.973%0.72878%0.782SS**  trans73.4111.5155.7-73.5158000121
362N27.3Very low30Very low125 Ų125144.4 Ų144.467%0.66878%0.778SS**  trans52.9106.1136.9-67.1-4000120.9
363T33.2Very low30.3Very low146 Ų146144.6 Ų144.690%0.89678%0.783SS**  -129.4123.711647.10000110.5
364Q28.4Very low30.4Very low158 Ų158143.9 Ų143.974%0.73879%0.787SS**  trans-81.6148.5169-62.8163.6-44.900109.2
365N31.5Very low30.6Very low138 Ų138138.7 Ų138.774%0.73878%0.781SS**  179.4119.6113.4-91.8-29.2000115.1
366T30.3Very low31Very low123 Ų123139.8 Ų139.876%0.75578%0.783SS**  trans40.6103.7141.457.20000120.3
367L32.6Very low31Very low170 Ų170139.8 Ų139.889%0.8978%0.778SS**PPolyproline II helix-86.6149.1128.8-76167.2000109.1
368P40.5Very low31.5Very low118 Ų118140.4 Ų140.477%0.76678%0.781SS**PPolyproline II helixtrans-85.1146.8-171.833-35.5000113.9
369P31.5Very low31.7Very low110 Ų110142.6 Ų142.671%0.71478%0.782SS**PPolyproline II helixtrans-101.3159.4178.638.6-35000114.8
370I28.6Very low31.6Very low150 Ų150142.2 Ų142.277%0.76979%0.785SS**  trans38.9119.8141.3-54163.9000118.7
371V31.8Very low31.7Very low137 Ų137140.1 Ų140.183%0.8379%0.785SS**  trans-136.1116.2130.9-179.30000109.8
372S27.6Very low31.9Very low110 Ų110144.5 Ų144.577%0.76979%0.792SS**  trans-101.1132.2157.5-520000107.8
373S36.8Very low31.9Very low114 Ų114150 Ų15080%0.79780%0.803SS**  trans-121.4116.5177.358.90000111
374Q30.3Very low31.8Very low196 Ų196152.8 Ų152.892%0.91680%0.803SS**  trans-82.5152179.1-61170-60.800111.8
375G30.6Very low31.9Very low65 Ų65150.9 Ų150.967%0.6781%0.805SS**  trans74.9123.614000000118.8
376F34.4Very low32Very low201 Ų201150.7 Ų150.788%0.88281%0.814SS**  -153.1118.1113.3-118.8-74.6000110.3
377D31.6Very low32Very low149 Ų149148.4 Ų148.480%0.79782%0.815SS**  trans-71.3140168.1-96.1-65.6000110.6
378Q37.8Very low32.2Very low180 Ų180147.2 Ų147.284%0.84181%0.81SS**  trans-155.1130.8141.9-126.4156.7110.600113.3
379Q30Very low31.7Very low168 Ų168150.1 Ų150.179%0.78581%0.813SS**  trans-64.7166.7162.4-56.3153.1700108.2
380V30.3Very low31.7Very low130 Ų130150.3 Ų150.379%0.78882%0.817SS**  cis-157.8-153.626.9-137.50000107.7
381P32.5Very low31.9Very low115 Ų115152.3 Ų152.375%0.74782%0.82SS**  -104.8-178.2-79.833.8-16.2000113.4
382R33.2Very low31.8Very low231 Ų231155.3 Ų155.387%0.87283%0.825SS**  trans-61.6142.5166.1-51.6-175.5-162.6-167.25.3111.5
383R26.4Very low32.3Very low242 Ų242157.5 Ų157.591%0.91383%0.826SS**  trans-158.7126.5141.3-109.1175.4-164.1-156.52.9110.7
384F31.1Very low31.9Very low203 Ų203161.6 Ų161.689%0.8983%0.83SS**  trans-80.2138.3162.3-72.1-91.8000109.4
385P31.6Very low32.1Very low119 Ų119158.1 Ų158.177%0.77382%0.822SS**  trans-123.2116.3150.132.9-20.4000110.3G387P385-G387 PolarHBondContact O-N 3.14Å
386S32.5Very low32.1Very low133 Ų133164.4 Ų164.493%0.9383%0.831SS**  trans-64.7124.9165.1-54.40000109
387G30.5Very low31.9Very low75 Ų75159.9 Ų159.977%0.77382%0.824SS**  trans-168.698-17700000112.2P385 Q389P385-G387 PolarHBondContact O-N 3.14Å; G387-Q389 PolarHBondContact O-N 3.16Å
388D36Very low32.1Very low146 Ų146160.2 Ų160.278%0.78183%0.825SS**  trans-69.5124.3173.5177.420.5000111
389Q31.7Very low31.7Very low179 Ų179157.4 Ų157.484%0.83682%0.822SS**  trans-165.3128.5143.5-112.2149.298.900113.1G387G387-Q389 PolarHBondContact O-N 3.16Å
390S31.2Very low31.6Very low114 Ų114158.1 Ų158.180%0.79783%0.827SS**  trans-69.2125.5179.548.50000113.4
391K32.5Very low31.8Very low192 Ų192163 Ų16384%0.83583%0.832SS**  trans-136.9122.2161.5-70.6-171.2178.91750110.6I393K391-I393 PolarHBondContact O-N 3.15Å
392Q28.7Very low31.7Very low200 Ų200163.8 Ų163.894%0.93583%0.83SS**  trans-70.8118.8-179.4-65.8175.5-10.700110.8
393I38.3Very low31.6Very low155 Ų155158.5 Ų158.580%0.79583%0.828SS**  trans-95.4112.6167.9-63.4-178.4000108.7K391 V395K391-I393 PolarHBondContact O-N 3.15Å; I393-V395 PolarHBondContact O-N 2.84Å
394K27.9Very low32Very low201 Ų201152 Ų15287%0.87482%0.815SS**  trans-84.174.5-170.2-167.9171.9-176.2171.40111.5K396K394-K396 PolarHBondContact O-N 3.49Å
395V35.9Very low31.9Very low122 Ų122146.7 Ų146.774%0.73980%0.804SS**  trans-58.6127.8170.1-178.30000108.6I393 S397I393-V395 PolarHBondContact O-N 2.84Å; V395-S397 PolarHBondContact O-N 2.76Å
396K30.5Very low32.4Very low198 Ų198147.9 Ų147.986%0.86180%0.802SS**  trans-72.596.8177.5-73.6179.4177.9175.20109.3K394K394-K396 PolarHBondContact O-N 3.49Å
397S30.1Very low32.4Very low105 Ų105148.5 Ų148.573%0.73480%0.795SS**  trans-59.7136.5167.2420000110.5V395V395-S397 PolarHBondContact O-N 2.76Å
398L34.5Very low32.6Very low157 Ų157147.5 Ų147.582%0.82278%0.784SS**  trans-57.9142.8162.3-73.1154.8000108.3M400L398-M400 PolarHBondContact O-N 3.07Å
399P30.6Very low32.8Very low120 Ų120147.5 Ų147.578%0.77978%0.783SS**  trans-69.497.4-172.427.5-34.5000111R401P399-R401 VanDerWaalsContact C-N 3.3Å; P399-R401 PolarHBondContact O-N 2.99Å
400M28.4Very low33.9Very low183 Ų183144.5 Ų144.590%0.90177%0.773SS**  trans-63.993.3166.4-67.1-161.379.400108.6L398 N402L398-M400 PolarHBondContact O-N 3.07Å; M400-N402 PolarHBondContact O-N 2.7Å
401R33.6Very low35.1Very low232 Ų232143.6 Ų143.688%0.87577%0.766SS**  trans-78.991.7-169.9-165.1175-168.8166.72.8110.5P399P399-R401 VanDerWaalsContact C-N 3.3Å; P399-R401 PolarHBondContact O-N 2.99Å
402N31Very low36.8Very low132 Ų132139.1 Ų139.171%0.70676%0.759SS**  trans57.891.4174.5-61.911.3000114.5M400 V404M400-N402 PolarHBondContact O-N 2.7Å; N402-V404 HydrophobicContact CB-CG2 4Å; N402-V404 PolarHBondContact O-N 3.47Å
403S31Very low39.2Very low121 Ų121130.5 Ų130.585%0.84672%0.724SS**  trans-64.880.4148.354.70000109.3
404V33.5Very low41.5Very low104 Ų104127 Ų12763%0.6371%0.711SS**  trans-69.3126.7164.8-175.80000107.1N402 I406N402-V404 HydrophobicContact CB-CG2 4Å; N402-V404 PolarHBondContact O-N 3.47Å; V404-I406 PolarHBondContact O-N 3.01Å; V404-I406 VanDerWaalsContact O-N 3.14Å
405S29.8Very low44.5Very low93 Ų93117.7 Ų117.765%0.6567%0.671SS**  trans-68106.5169.145.70000109D407S405-D407 VanDerWaalsContact C-N 3.28Å; S405-D407 WeakPolarHBondContact CB-OD2 3.36Å; S405-D407 PolarHBondContact O-N 2.65Å
406I42.2Very low47.1Very low143 Ų143118 Ų11873%0.73367%0.665SS**  trans-88.376171.5-55.2-179.9000107.3V404 G408V404-I406 PolarHBondContact O-N 3.01Å; V404-I406 VanDerWaalsContact O-N 3.14Å; I406-G408 PolarHBondContact O-N 2.92Å
407D31.8Very low50.1Low147 Ų147109 Ų10979%0.78663%0.626SS**  trans-82.4102.9169.4-69.6-62.8000109.1S405S405-D407 VanDerWaalsContact C-N 3.28Å; S405-D407 WeakPolarHBondContact CB-OD2 3.36Å; S405-D407 PolarHBondContact O-N 2.65Å
408G34.4Very low53Low54 Ų54107 Ų10756%0.55761%0.609SS**SBendtrans89.4156.9177.900000115.1I406I406-G408 PolarHBondContact O-N 2.92Å
409I40.5Very low55.7Low145 Ų145103 Ų10374%0.74459%0.591SS**SBendtrans66.4100.8176.9-46.1165.2000111.2
410D55.3Low58.6Low117 Ų117101.5 Ų101.563%0.62657%0.573SS**  cis-141106.427.7-62.8-66.5000112.3P441D410-P441 WeakPolarHBondContact O-CB 3.25Å
411S56.5Low61.6Low94 Ų9493.1 Ų93.166%0.65753%0.532SS*.SBendtrans-94.34.6171.1-50.20000113.5
412S67.4Low64.2Low99 Ų9986.6 Ų86.669%0.69252%0.518SS*.  trans-138.5114.9-165.31750000111.2
413G79.6Confident66.8Low19 Ų1982.7 Ų82.720%0.19651%0.509CS..SBendtrans167.1164.5176.400000110.9N494G413-N494 PolarHBondContact O-ND2 2.92Å
414P86.8Confident69.6Low80 Ų8082.6 Ų82.652%0.51950%0.495SS..SBendtrans-58.9159.616429.7-35.7000109.9
415P90.8Very high72.3Confident6 Ų679.4 Ų79.44%0.03947%0.474CS..  trans-64.3146.8174.530.5-32.5000109.3V439 R440 L447 A492 N494 G497 D499P415-V439 HydrophobicContact CB-CG2 3.92Å; P415-R440 CarbonylContact C-O 3.56Å; P415-R440 VanDerWaalsContact CA-O 3.29Å; P415-R440 WeakPolarHBondContact CA-O 3.35Å; P415-L447 HydrophobicContact CB-CD1 3.91Å; P415-A492 HydrophobicContact CB-CB 3.99Å; P415-A492 WeakPolarHBondContact CG-O 3.28Å; P415-N494 WeakPolarHBondContact CD-OD1 3.3Å; P415-G497 VanDerWaalsContact CD-C 3.42Å; P415-G497 WeakPolarHBondContact CD-O 3.26Å; P415-G497 WeakPolarHBondContact CG-O 3.48Å; P415-D499 HydrophobicContact CB-CB 4.29Å; P415-D499 HydrophobicContact CG-CB 4Å; P415-D499 VanDerWaalsContact O-CB 3.29Å; P415-D499 WeakPolarHBondContact O-CB 3.38Å
416Q91.6Very high75.1Confident130 Ų13078.5 Ų78.561%0.60747%0.465SS*.EExtended strand (participates in β ladder)trans-145.2121.6174.3-174.6177.539.700110V418 V439 R440 D499Q416-V418 PolarHBondContact O-N 2.89Å; Q416-V439 CarbonylContact O-C 3.55Å; Q416-V439 WeakPolarHBondContact O-CA 3.33Å; Q416-R440 PolarHBondContact N-O 2.85Å; Q416-R440 PolarHBondContact O-N 2.86Å; Q416-D499 VanDerWaalsContact CA-OD2 3.3Å; Q416-D499 WeakPolarHBondContact CA-OD2 3.28Å
417F91.5Very high77.4Confident9 Ų973.2 Ų73.24%0.03944%0.437CS..EExtended strand (participates in β ladder)trans-67.9116.7168.5-74.6-76.4000110.7H420 A437 R438 V439 C490 A492 D499 S501F417-H420 VanDerWaalsContact CB-CE1 3.45Å; F417-H420 WeakPolarHBondContact CB-CE1 3.46Å; F417-H420 VanDerWaalsContact CB-ND1 3.29Å; F417-H420 WeakPolarHBondContact CB-ND1 3.32Å; F417-A437 HydrophobicContact CD1-CB 4.03Å; F417-A437 HydrophobicContact CE1-CB 3.84Å; F417-R438 CarbonylContact C-O 3.47Å; F417-R438 WeakPolarHBondContact CA-O 3.42Å; F417-V439 HydrophobicContact CD1-CB 4.08Å; F417-V439 HydrophobicContact CE1-CB 4.06Å; F417-C490 WeakPolarHBondContact CE1-SG 3.44Å; F417-C490 WeakPolarHBondContact CE2-O 3.41Å; F417-C490 HydrophobicContact CZ-CB 4.3Å; F417-C490 WeakPolarHBondContact CZ-O 3.23Å; F417-C490 WeakPolarHBondContact CZ-SG 3.28Å; F417-A492 HydrophobicContact CE2-CB 3.79Å; F417-A492 HydrophobicContact CZ-CB 3.66Å; F417-D499 HydrophobicContact CD2-CB 4.38Å; F417-D499 WeakPolarHBondContact CD2-OD2 3.09Å; F417-D499 PolarHBondContact N-OD2 2.85Å; F417-S501 VanDerWaalsContact CE2-N 3.35Å
418V91.6Very high80Confident62 Ų6268.6 Ų68.638%0.37642%0.42SS..EExtended strand (participates in β ladder)trans-94.1-25.6175.5-176.70000110.9Q416 R438 R440Q416-V418 PolarHBondContact O-N 2.89Å; V418-R438 PolarHBondContact N-O 2.98Å; V418-R440 HydrophobicContact CG2-CB 4.04Å; V418-R440 HydrophobicContact CG2-CG 3.76Å
419V91Very high82.5Confident73 Ų7368.2 Ų68.244%0.44240%0.404SS..EExtended strand (participates in β ladder)trans-132.3123.6166.5-175.20000106.6A437 R438V419-A437 CarbonylContact O-C 3.45Å; V419-A437 WeakPolarHBondContact O-CA 3.3Å; V419-R438 HydrophobicContact CB-CB 3.74Å; V419-R438 HydrophobicContact CG2-CB 3.92Å; V419-R438 PolarHBondContact N-O 3.37Å; V419-R438 PolarHBondContact O-N 2.96Å
420H92.8Very high84.6Confident89 Ų8963.5 Ų63.541%0.41239%0.391SS..PPolyproline II helixtrans-93.7164.2171.9-48.5-83.4000110.1F417 S502F417-H420 VanDerWaalsContact CB-CE1 3.45Å; F417-H420 WeakPolarHBondContact CB-CE1 3.46Å; F417-H420 VanDerWaalsContact CB-ND1 3.29Å; F417-H420 WeakPolarHBondContact CB-ND1 3.32Å; H420-S502 WeakPolarHBondContact CB-OG 3.32Å
421P89.7Confident86.2Confident6 Ų663.5 Ų63.54%0.03939%0.387CS..PPolyproline II helixtrans-50.1154.6167.9-30.239.1000114G423 I435 T436 A437 W451 S501 C504P421-G423 PolarHBondContact O-N 3.05Å; P421-I435 HydrophobicContact CB-CG2 3.69Å; P421-I435 HydrophobicContact CG-CG2 4.09Å; P421-T436 WeakPolarHBondContact CA-O 3.46Å; P421-A437 HydrophobicContact CG-CB 4.2Å; P421-W451 HydrophobicContact CG-CH2 4.42Å; P421-W451 HydrophobicContact CG-CZ3 4.36Å; P421-S501 VanDerWaalsContact CD-CB 3.44Å; P421-S501 WeakPolarHBondContact CD-OG 3.14Å; P421-C504 HydrophobicContact CB-CB 3.71Å
422V88.5Confident87.9Confident96 Ų9662.8 Ų62.858%0.58238%0.38SS*.PPolyproline II helixtrans-61.5126171.6-172.90000108.6Q424 C504V422-Q424 WeakPolarHBondContact CG1-O 3.09Å; V422-Q424 PolarHBondContact O-N 2.76Å; V422-Q424 VanDerWaalsContact O-N 3.11Å; V422-C504 VanDerWaalsContact O-CA 3.25Å; V422-C504 WeakPolarHBondContact O-CA 3.27Å; V422-C504 WeakPolarHBondContact O-CB 3.09Å; V422-C504 PolarHBondContact O-SG 3.03Å
423G86.4Confident89.1Confident49 Ų4958.3 Ų58.351%0.50535%0.349SS..SBendtrans-60.9-25.6-170.300000115.7P421 H505P421-G423 PolarHBondContact O-N 3.05Å; G423-H505 PolarHBondContact O-N 2.65Å
424Q88.9Confident89.7Confident119 Ų11961.9 Ų61.956%0.55636%0.364SS*.EExtended strand (participates in β ladder)trans-145.5140.4172.3-173.91765.200109.6V422 H505V422-Q424 WeakPolarHBondContact CG1-O 3.09Å; V422-Q424 PolarHBondContact O-N 2.76Å; V422-Q424 VanDerWaalsContact O-N 3.11Å; Q424-H505 CarbonylContact C-O 3.48Å; Q424-H505 WeakPolarHBondContact CA-O 3.44Å; Q424-H505 HydrophobicContact CG-CB 4.42Å; Q424-H505 WeakPolarHBondContact CG-O 3.45Å
425L90.2Very high90Very high38 Ų3858.3 Ų58.320%0.19934%0.34CS..EExtended strand (participates in β ladder)trans-132.7126.4179.2-175.361.5000108.4I427 I435 H505 V506 T507L425-I427 HydrophobicContact CD1-CD1 3.94Å; L425-I427 HydrophobicContact CD1-CG1 4.22Å; L425-I427 HydrophobicContact CD2-CD1 3.76Å; L425-I427 HydrophobicContact CG-CD1 3.66Å; L425-I427 HydrophobicContact CG-CG1 4.04Å; L425-I435 HydrophobicContact CD2-CG1 4.18Å; L425-H505 PolarHBondContact N-O 2.75Å; L425-V506 HydrophobicContact CB-CG2 4.37Å; L425-V506 HydrophobicContact CD2-CG2 4.43Å; L425-V506 WeakPolarHBondContact O-CA 3.16Å; L425-T507 PolarHBondContact O-N 3.41Å
426T90.5Very high90.2Very high74 Ų7461 Ų6145%0.45436%0.357SS..EExtended strand (participates in β ladder)trans-125.4120-179.2-560000110.2T507 I509T426-T507 VanDerWaalsContact CA-O 3.29Å; T426-T507 WeakPolarHBondContact CA-O 3.45Å; T426-I509 HydrophobicContact CG2-CD1 3.68Å; T426-I509 HydrophobicContact CG2-CG1 3.81Å
427I89.3Confident90.3Very high31 Ų3155 Ų5516%0.15933%0.329CS..EExtended strand (participates in β ladder)trans-138.8150.3-168.7-62.7178.4000108.6L425 E431 A433 M480 T507 I508 I509L425-I427 HydrophobicContact CD1-CD1 3.94Å; L425-I427 HydrophobicContact CD1-CG1 4.22Å; L425-I427 HydrophobicContact CD2-CD1 3.76Å; L425-I427 HydrophobicContact CG-CD1 3.66Å; L425-I427 HydrophobicContact CG-CG1 4.04Å; I427-E431 HydrophobicContact CG2-CB 3.6Å; I427-A433 HydrophobicContact CD1-CB 3.33Å; I427-M480 HydrophobicContact CB-CG 4.46Å; I427-M480 HydrophobicContact CG2-CG 3.97Å; I427-T507 PolarHBondContact N-O 3.15Å; I427-I508 WeakPolarHBondContact O-CA 3.38Å; I427-I509 PolarHBondContact O-N 2.82Å
428A86.7Confident90.4Very high50 Ų5058.1 Ų58.141%0.41334%0.341SS..EExtended strand (participates in β ladder)trans-77.2151.4173.900000111.2E431 I509A428-E431 HydrophobicContact CB-CG 4.3Å; A428-E431 PolarHBondContact O-N 3.06Å; A428-I509 WeakPolarHBondContact CA-O 3.49Å
429E86.6Confident90.4Very high47 Ų4755.2 Ų55.222%0.2232%0.323CS..THydrogen-bonded Turntrans-57142.3171.6-173156.8-138.400111.6E431 E482 I508 I509E429-E431 VanDerWaalsContact C-N 3.28Å; E429-E431 PolarHBondContact O-N 2.94Å; E429-E482 PolarHBondContact OE1-N 3.08Å; E429-I508 HydrophobicContact CB-CG2 4.16Å; E429-I509 PolarHBondContact N-O 2.82Å
430G84.6Confident90.4Very high46 Ų4657.7 Ų57.747%0.47432%0.324SS..THydrogen-bonded Turntrans83.1-22.8-175.400000115.9Y479 M480G430-Y479 VanDerWaalsContact O-CB 3.25Å; G430-Y479 WeakPolarHBondContact O-CB 3.47Å; G430-M480 PolarHBondContact N-O 3.46Å
431E89.3Confident90Very high116 Ų11653.8 Ų53.854%0.54231%0.307SS..  trans-73.9148.3179.4-76.8-75.9133.800112.4I427 A428 E429 M480I427-E431 HydrophobicContact CG2-CB 3.6Å; A428-E431 HydrophobicContact CB-CG 4.3Å; A428-E431 PolarHBondContact O-N 3.06Å; E429-E431 VanDerWaalsContact C-N 3.28Å; E429-E431 PolarHBondContact O-N 2.94Å; E431-M480 WeakPolarHBondContact O-CB 3.45Å; E431-M480 VanDerWaalsContact O-CG 3.23Å; E431-M480 WeakPolarHBondContact O-CG 3.04Å; E431-M480 PolarHBondContact O-N 2.94Å
432P91.6Very high89.4Confident79 Ų7955.1 Ų55.151%0.51332%0.318SS..  trans-73.7154.2174.231.4-35.2000112F477P432-F477 WeakPolarHBondContact CA-O 3.21Å; P432-F477 WeakPolarHBondContact CB-O 3.2Å
433A92.3Very high88.6Confident6 Ų653.6 Ų53.65%0.0532%0.322CS..EExtended strand (participates in β ladder)trans-143.5146-175.100000112I427 F477 M480I427-A433 HydrophobicContact CD1-CB 3.33Å; A433-F477 HydrophobicContact CB-CB 4.21Å; A433-F477 HydrophobicContact CB-CD2 4.29Å; A433-F477 PolarHBondContact N-O 2.94Å; A433-F477 VanDerWaalsContact N-O 3.12Å; A433-F477 PolarHBondContact O-N 2.84Å; A433-M480 HydrophobicContact CB-CE 4.1Å; A433-M480 HydrophobicContact CB-CG 3.75Å; A433-M480 HydrophobicContact CB-SD 3.56Å; A433-M480 VanDerWaalsContact CB-SD 3.56Å
434N92.8Very high88.3Confident94 Ų9452.6 Ų52.650%0.50331%0.305SS..EExtended strand (participates in β ladder)trans-135.3150.4165.965.444000114.1L475 D476N434-L475 CarbonylContact C-O 3.54Å; N434-L475 VanDerWaalsContact CA-O 3.32Å; N434-L475 WeakPolarHBondContact CA-O 3.32Å; N434-D476 HydrophobicContact CB-CB 4.49Å; N434-D476 WeakPolarHBondContact CB-OD1 3.36Å
435I94.2Very high88Confident4 Ų452.4 Ų52.42%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-127.2121.2-179.3-48.9-177.2000106.3P421 L425 W451 V474 L475 F477 Y488 C504 V506P421-I435 HydrophobicContact CB-CG2 3.69Å; P421-I435 HydrophobicContact CG-CG2 4.09Å; L425-I435 HydrophobicContact CD2-CG1 4.18Å; I435-W451 HydrophobicContact CB-CH2 4.14Å; I435-W451 HydrophobicContact CB-CZ3 4.18Å; I435-W451 HydrophobicContact CG2-CH2 3.84Å; I435-W451 HydrophobicContact CG2-CZ3 3.73Å; I435-W451 WeakPolarHBondContact O-CH2 3.4Å; I435-V474 WeakPolarHBondContact O-CA 3.2Å; I435-L475 HydrophobicContact CB-CB 4.46Å; I435-L475 HydrophobicContact CD1-CD2 4.31Å; I435-L475 PolarHBondContact N-O 3.45Å; I435-L475 PolarHBondContact O-N 2.79Å; I435-F477 HydrophobicContact CD1-CE2 4.28Å; I435-Y488 HydrophobicContact CD1-CD1 4.29Å; I435-Y488 HydrophobicContact CD1-CD2 4.14Å; I435-Y488 HydrophobicContact CD1-CG 3.83Å; I435-C504 HydrophobicContact CD1-CB 4.48Å; I435-C504 HydrophobicContact CG2-CB 3.98Å; I435-V506 HydrophobicContact CD1-CG2 3.76Å
436T94.3Very high87.7Confident64 Ų6452.9 Ų52.939%0.39332%0.322SS..EExtended strand (participates in β ladder)trans-122.5144.5-173.563.10000111.5P421 A473 V474P421-T436 WeakPolarHBondContact CA-O 3.46Å; T436-A473 WeakPolarHBondContact CA-O 3.29Å; T436-V474 HydrophobicContact CG2-CG1 4.11Å; T436-V474 HydrophobicContact CG2-CG2 4.02Å
437A93.7Very high87.5Confident3 Ų350 Ų503%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-140.5160.217500000110.1F417 V419 P421 A473 C490F417-A437 HydrophobicContact CD1-CB 4.03Å; F417-A437 HydrophobicContact CE1-CB 3.84Å; V419-A437 CarbonylContact O-C 3.45Å; V419-A437 WeakPolarHBondContact O-CA 3.3Å; P421-A437 HydrophobicContact CG-CB 4.2Å; A437-A473 HydrophobicContact CB-CB 4.49Å; A437-A473 PolarHBondContact N-O 2.9Å; A437-A473 PolarHBondContact O-N 2.9Å; A437-C490 VanDerWaalsContact CB-SG 3.51Å
438R93Very high87.6Confident75 Ų7552.5 Ų52.528%0.28332%0.32SS..EExtended strand (participates in β ladder)trans-135.9122175.5-163.5-174.9-176.91773.2111.5F417 V418 V419 G471 Y472F417-R438 CarbonylContact C-O 3.47Å; F417-R438 WeakPolarHBondContact CA-O 3.42Å; V418-R438 PolarHBondContact N-O 2.98Å; V419-R438 HydrophobicContact CB-CB 3.74Å; V419-R438 HydrophobicContact CG2-CB 3.92Å; V419-R438 PolarHBondContact N-O 3.37Å; V419-R438 PolarHBondContact O-N 2.96Å; R438-G471 CarbonylContact C-O 3.56Å; R438-G471 WeakPolarHBondContact CA-O 3.5Å; R438-G471 WeakPolarHBondContact CG-O 3.4Å; R438-Y472 HydrophobicContact CB-CD1 4.35Å; R438-Y472 HydrophobicContact CG-CD1 4Å; R438-Y472 HydrophobicContact CG-CE1 4.08Å; R438-Y472 HydrophobicContact CG-CG 4.4Å; R438-Y472 PolarHBondContact NH1-OH 2.83Å; R438-Y472 PolarHBondContact NH2-OH 2.85Å
439V92.7Very high87.8Confident0 Ų051.3 Ų51.30%031%0.308CS..EExtended strand (participates in β ladder)trans-109.4151.4178.155.10000111.3P415 Q416 F417 L447 V449 F468 G471 A492P415-V439 HydrophobicContact CB-CG2 3.92Å; Q416-V439 CarbonylContact O-C 3.55Å; Q416-V439 WeakPolarHBondContact O-CA 3.33Å; F417-V439 HydrophobicContact CD1-CB 4.08Å; F417-V439 HydrophobicContact CE1-CB 4.06Å; V439-L447 HydrophobicContact CG1-CD2 3.95Å; V439-L447 HydrophobicContact CG2-CD1 4.21Å; V439-L447 HydrophobicContact CG2-CD2 4.15Å; V439-V449 HydrophobicContact CG1-CG2 4.15Å; V439-F468 HydrophobicContact CG1-CE2 3.67Å; V439-F468 HydrophobicContact CG1-CZ 3.99Å; V439-G471 PolarHBondContact N-O 3.14Å; V439-G471 WeakPolarHBondContact O-CA 3.49Å; V439-A492 HydrophobicContact CB-CB 4.35Å; V439-A492 HydrophobicContact CG1-CB 4.49Å; V439-A492 HydrophobicContact CG2-CB 3.83Å
440R89.9Confident88.2Confident125 Ų12553.9 Ų53.947%0.47232%0.32SS..EExtended strand (participates in β ladder)trans-121.5159.5163.4-78-173.9-177.3142.7-4.8109.5P415 Q416 V418 A442P415-R440 CarbonylContact C-O 3.56Å; P415-R440 VanDerWaalsContact CA-O 3.29Å; P415-R440 WeakPolarHBondContact CA-O 3.35Å; Q416-R440 PolarHBondContact N-O 2.85Å; Q416-R440 PolarHBondContact O-N 2.86Å; V418-R440 HydrophobicContact CG2-CB 4.04Å; V418-R440 HydrophobicContact CG2-CG 3.76Å; R440-A442 HydrophobicContact CG-CB 4.48Å
441P84.2Confident88.7Confident7 Ų752.3 Ų52.35%0.04530%0.3CS..SBendcis-68.3123.1-2.826.3-33.8000112.9D410 G443 D444 L447D410-P441 WeakPolarHBondContact O-CB 3.25Å; P441-G443 PolarHBondContact O-N 2.79Å; P441-D444 HydrophobicContact CB-CB 4.22Å; P441-D444 HydrophobicContact CG-CB 3.74Å; P441-D444 PolarHBondContact O-N 2.88Å; P441-L447 VanDerWaalsContact O-CD2 3.27Å; P441-L447 WeakPolarHBondContact O-CD2 3.43Å
442A77.4Confident88.9Confident34 Ų3449.2 Ų49.228%0.28128%0.283SS..THydrogen-bonded Turntrans-76.7-4.6-169.500000114.9R440 R470R440-A442 HydrophobicContact CG-CB 4.48Å; A442-R470 WeakPolarHBondContact CB-O 3.32Å; A442-R470 CarbonylContact O-C 3.46Å; A442-R470 WeakPolarHBondContact O-CA 3.4Å
443G71.8Confident89Confident64 Ų6447.6 Ų47.666%0.6627%0.268SS*.THydrogen-bonded Turntrans-116.510.1178.800000114P441P441-G443 PolarHBondContact O-N 2.79Å
444D81.3Confident89Confident28 Ų2851.7 Ų51.715%0.1529%0.289CS..  trans-79.8122.9177.1177.5-3.5000110.5P441 T446 L447 N494P441-D444 HydrophobicContact CB-CB 4.22Å; P441-D444 HydrophobicContact CG-CB 3.74Å; P441-D444 PolarHBondContact O-N 2.88Å; D444-T446 VanDerWaalsContact C-N 3.31Å; D444-T446 WeakPolarHBondContact OD1-CA 3.4Å; D444-T446 WeakPolarHBondContact OD1-CB 3.21Å; D444-T446 PolarHBondContact OD1-N 2.83Å; D444-T446 PolarHBondContact OD1-OG1 2.8Å; D444-T446 PolarHBondContact OD2-OG1 3.03Å; D444-L447 HydrophobicContact CB-CB 4.19Å; D444-L447 WeakPolarHBondContact O-CB 3.5Å; D444-N494 VanDerWaalsContact OD2-CB 3.28Å; D444-N494 WeakPolarHBondContact OD2-CB 3.18Å; D444-N494 PolarHBondContact OD2-ND2 3.5Å
445S80.9Confident88.8Confident115 Ų11550.5 Ų50.580%0.80430%0.299SS*.THydrogen-bonded Turntrans-79.8-7.8179.546.50000114.6
446T84.2Confident88.6Confident49 Ų4957.6 Ų57.630%0.30133%0.33SS..THydrogen-bonded Turntrans-92.5-2.817470.20000113D444 V448 S495D444-T446 VanDerWaalsContact C-N 3.31Å; D444-T446 WeakPolarHBondContact OD1-CA 3.4Å; D444-T446 WeakPolarHBondContact OD1-CB 3.21Å; D444-T446 PolarHBondContact OD1-N 2.83Å; D444-T446 PolarHBondContact OD1-OG1 2.8Å; D444-T446 PolarHBondContact OD2-OG1 3.03Å; T446-V448 PolarHBondContact O-N 2.82Å; T446-S495 PolarHBondContact OG1-N 3.01Å; T446-S495 VanDerWaalsContact OG1-N 3.16Å
447L87.1Confident88.5Confident12 Ų1258.8 Ų58.86%0.06334%0.338CS..  trans-79.7107.7-174.9-176.458.5000112P415 V439 P441 D444 F468 A492 T493 N494P415-L447 HydrophobicContact CB-CD1 3.91Å; V439-L447 HydrophobicContact CG1-CD2 3.95Å; V439-L447 HydrophobicContact CG2-CD1 4.21Å; V439-L447 HydrophobicContact CG2-CD2 4.15Å; P441-L447 VanDerWaalsContact O-CD2 3.27Å; P441-L447 WeakPolarHBondContact O-CD2 3.43Å; D444-L447 HydrophobicContact CB-CB 4.19Å; D444-L447 WeakPolarHBondContact O-CB 3.5Å; L447-F468 HydrophobicContact CD2-CE1 4.49Å; L447-F468 HydrophobicContact CD2-CZ 3.81Å; L447-F468 HydrophobicContact CG-CE1 4.2Å; L447-F468 HydrophobicContact CG-CZ 3.85Å; L447-F468 WeakPolarHBondContact O-CE1 3.4Å; L447-A492 HydrophobicContact CD1-CB 4.17Å; L447-T493 WeakPolarHBondContact CA-O 3.27Å; L447-N494 HydrophobicContact CB-CB 4.35Å; L447-N494 HydrophobicContact CD1-CB 4.08Å
448V90.5Very high88.3Confident85 Ų8560 Ų6052%0.51535%0.345SS..EExtended strand (participates in β ladder)trans-103.8141.1174.9-179.10000109.3T446 A492 T493T446-V448 PolarHBondContact O-N 2.82Å; V448-A492 CarbonylContact O-C 3.58Å; V448-A492 WeakPolarHBondContact O-CA 3.33Å; V448-T493 PolarHBondContact N-O 3.21Å; V448-T493 PolarHBondContact O-N 2.86Å
449V92.3Very high88Confident25 Ų2560.9 Ų60.915%0.15236%0.36CS..EExtended strand (participates in β ladder)trans-126126174.6-175.10000110.6V439 F468 A473 C490 V491 A492V439-V449 HydrophobicContact CG1-CG2 4.15Å; V449-F468 HydrophobicContact CB-CD2 4.19Å; V449-F468 HydrophobicContact CB-CE2 4.46Å; V449-F468 HydrophobicContact CB-CG 4.43Å; V449-F468 HydrophobicContact CG2-CD1 4.44Å; V449-F468 HydrophobicContact CG2-CD2 3.69Å; V449-F468 HydrophobicContact CG2-CE1 4.26Å; V449-F468 HydrophobicContact CG2-CE2 3.48Å; V449-F468 VanDerWaalsContact CG2-CE2 3.48Å; V449-F468 HydrophobicContact CG2-CG 4.18Å; V449-F468 HydrophobicContact CG2-CZ 3.79Å; V449-A473 HydrophobicContact CB-CB 4.45Å; V449-A473 HydrophobicContact CG1-CB 3.84Å; V449-C490 HydrophobicContact CG1-CB 3.91Å; V449-V491 WeakPolarHBondContact CA-O 3.29Å; V449-A492 HydrophobicContact CG2-CB 4Å
450E93.7Very high87.5Confident101 Ų10166.2 Ų66.247%0.47240%0.404SS..EExtended strand (participates in β ladder)trans-114.3148.6176.5-67.1-175.4156.400110.5Y452 C490 V491E450-Y452 HydrophobicContact CB-CD2 4.47Å; E450-Y452 HydrophobicContact CB-CE2 3.8Å; E450-Y452 PolarHBondContact OE2-OH 3.14Å; E450-Y452 VanDerWaalsContact OE2-OH 3.06Å; E450-C490 CarbonylContact O-C 3.6Å; E450-C490 WeakPolarHBondContact O-CA 3.28Å; E450-C490 WeakPolarHBondContact O-CB 3.35Å; E450-V491 PolarHBondContact N-O 2.71Å; E450-V491 PolarHBondContact O-N 2.7Å
451W94.8Very high87.3Confident13 Ų1362.7 Ų62.75%0.04940%0.401CS..EExtended strand (participates in β ladder)trans-105.3142.8175.9-7389.4000111.2P421 I435 L458 T466 A473 L475 C490P421-W451 HydrophobicContact CG-CH2 4.42Å; P421-W451 HydrophobicContact CG-CZ3 4.36Å; I435-W451 HydrophobicContact CB-CH2 4.14Å; I435-W451 HydrophobicContact CB-CZ3 4.18Å; I435-W451 HydrophobicContact CG2-CH2 3.84Å; I435-W451 HydrophobicContact CG2-CZ3 3.73Å; I435-W451 WeakPolarHBondContact O-CH2 3.4Å; W451-L458 HydrophobicContact CB-CB 4.14Å; W451-L458 HydrophobicContact CB-CD2 4.03Å; W451-L458 VanDerWaalsContact O-CB 3.28Å; W451-L458 WeakPolarHBondContact O-CB 3.46Å; W451-L458 PolarHBondContact O-N 3.44Å; W451-T466 HydrophobicContact CB-CG2 4.31Å; W451-T466 VanDerWaalsContact CD1-CG2 3.42Å; W451-T466 HydrophobicContact CG-CG2 4Å; W451-A473 HydrophobicContact CZ2-CB 4.19Å; W451-L475 HydrophobicContact CD2-CB 3.71Å; W451-L475 HydrophobicContact CD2-CD2 4.09Å; W451-L475 HydrophobicContact CE3-CB 3.98Å; W451-L475 HydrophobicContact CE3-CD2 3.86Å; W451-L475 HydrophobicContact CG-CB 4.26Å; W451-L475 HydrophobicContact CG-CD2 4.43Å; W451-L475 HydrophobicContact CH2-CB 4.08Å; W451-L475 HydrophobicContact CZ2-CB 3.81Å; W451-L475 HydrophobicContact CZ3-CB 4.16Å; W451-L475 HydrophobicContact CZ3-CD2 4.39Å; W451-C490 HydrophobicContact CD2-CB 3.78Å; W451-C490 HydrophobicContact CE3-CB 3.81Å; W451-C490 HydrophobicContact CG-CB 4.35Å; W451-C490 HydrophobicContact CH2-CB 4.21Å; W451-C490 HydrophobicContact CZ2-CB 4.18Å; W451-C490 HydrophobicContact CZ3-CB 4.02Å
452Y94.9Very high87.4Confident51 Ų5167.7 Ų67.720%0.244%0.437CS..EExtended strand (participates in β ladder)trans-130.2138.7-178.5-71.8-106.5000110.2E450 K456 P457 Y488 S489 V491E450-Y452 HydrophobicContact CB-CD2 4.47Å; E450-Y452 HydrophobicContact CB-CE2 3.8Å; E450-Y452 PolarHBondContact OE2-OH 3.14Å; E450-Y452 VanDerWaalsContact OE2-OH 3.06Å; Y452-K456 CarbonylContact C-O 3.37Å; Y452-K456 WeakPolarHBondContact CA-O 3.31Å; Y452-K456 WeakPolarHBondContact CB-O 3.24Å; Y452-K456 VanDerWaalsContact CD1-C 3.43Å; Y452-P457 HydrophobicContact CD1-CB 4.28Å; Y452-P457 HydrophobicContact CE1-CB 3.97Å; Y452-P457 HydrophobicContact CE1-CG 4.49Å; Y452-Y488 CarbonylContact O-C 3.58Å; Y452-Y488 VanDerWaalsContact O-CA 3.32Å; Y452-Y488 WeakPolarHBondContact O-CA 3.32Å; Y452-S489 PolarHBondContact N-O 2.93Å; Y452-S489 PolarHBondContact O-N 3.01Å; Y452-V491 HydrophobicContact CD2-CB 4.33Å; Y452-V491 HydrophobicContact CD2-CG2 3.75Å; Y452-V491 HydrophobicContact CE2-CB 3.94Å; Y452-V491 HydrophobicContact CE2-CG2 3.64Å
453K93.9Very high88Confident44 Ų4468.1 Ų68.119%0.19143%0.431CS..EExtended strand (participates in β ladder)trans-119.7127173.5-178.9-172.2-175.6-177.30109.4G455 K456 L458 D483 D484 D487 Y488K453-G455 PolarHBondContact O-N 3.23Å; K453-G455 VanDerWaalsContact O-N 3.15Å; K453-K456 PolarHBondContact N-O 2.69Å; K453-K456 PolarHBondContact O-N 2.84Å; K453-L458 HydrophobicContact CB-CD1 3.96Å; K453-L458 HydrophobicContact CD-CD1 4.41Å; K453-D483 PolarHBondContact NZ-O 2.85Å; K453-D484 VanDerWaalsContact NZ-CA 3.33Å; K453-D484 IonicContact NZ-OD1 2.7Å; K453-D487 CarbonylContact C-O 3.48Å; K453-D487 WeakPolarHBondContact CA-O 3.38Å; K453-Y488 HydrophobicContact CB-CD1 4.09Å; K453-Y488 HydrophobicContact CB-CE1 3.86Å; K453-Y488 HydrophobicContact CD-CE1 3.9Å; K453-Y488 HydrophobicContact CD-CE2 4.3Å; K453-Y488 WeakPolarHBondContact CD-OH 3.35Å; K453-Y488 WeakPolarHBondContact CE-OH 3.32Å; K453-Y488 HydrophobicContact CG-CD1 4.31Å; K453-Y488 HydrophobicContact CG-CE1 3.82Å; K453-Y488 HydrophobicContact CG-CE2 4.07Å; K453-Y488 PolarHBondContact NZ-OH 3.45Å
454N91.7Very high89Confident93 Ų9366.1 Ų66.150%0.49740%0.404SS..THydrogen-bonded Turntrans49.939.3-178.9-60.8-27.1000112.7K456 G486 D487N454-K456 VanDerWaalsContact C-N 3.29Å; N454-K456 PolarHBondContact O-N 3.32Å; N454-G486 WeakPolarHBondContact OD1-CA 3.15Å; N454-D487 PolarHBondContact N-O 2.9Å; N454-D487 PolarHBondContact OD1-N 3.32Å
455G88.8Confident89.5Confident68 Ų6868.5 Ų68.570%0.70142%0.42SS*.THydrogen-bonded Turntrans76.10.6-178.800000116.3K453K453-G455 PolarHBondContact O-N 3.23Å; K453-G455 VanDerWaalsContact O-N 3.15Å
456K89.6Confident90Very high154 Ų15466.9 Ų66.967%0.6741%0.405SS*.EExtended strand (participates in β ladder)trans-104145.6175.7-63.6176.9-177.6176.60110.5Y452 K453 N454 L458Y452-K456 CarbonylContact C-O 3.37Å; Y452-K456 WeakPolarHBondContact CA-O 3.31Å; Y452-K456 WeakPolarHBondContact CB-O 3.24Å; Y452-K456 VanDerWaalsContact CD1-C 3.43Å; K453-K456 PolarHBondContact N-O 2.69Å; K453-K456 PolarHBondContact O-N 2.84Å; N454-K456 VanDerWaalsContact C-N 3.29Å; N454-K456 PolarHBondContact O-N 3.32Å; K456-L458 PolarHBondContact O-N 2.88Å
457P91.4Very high90.4Very high89 Ų8968.5 Ų68.558%0.57842%0.415SS*.EExtended strand (participates in β ladder)trans-60138.517426.5-34.4000110Y452 P459Y452-P457 HydrophobicContact CD1-CB 4.28Å; Y452-P457 HydrophobicContact CE1-CB 3.97Å; Y452-P457 HydrophobicContact CE1-CG 4.49Å; P457-P459 WeakPolarHBondContact O-CD 3.45Å
458L91.1Very high90.5Very high29 Ų2971.5 Ų71.515%0.15243%0.428CS..PPolyproline II helixtrans-73.7118.7-177-171.672.5000109.4W451 K453 K456 F464 T466 L475 Y488W451-L458 HydrophobicContact CB-CB 4.14Å; W451-L458 HydrophobicContact CB-CD2 4.03Å; W451-L458 VanDerWaalsContact O-CB 3.28Å; W451-L458 WeakPolarHBondContact O-CB 3.46Å; W451-L458 PolarHBondContact O-N 3.44Å; K453-L458 HydrophobicContact CB-CD1 3.96Å; K453-L458 HydrophobicContact CD-CD1 4.41Å; K456-L458 PolarHBondContact O-N 2.88Å; L458-F464 HydrophobicContact CD1-CE2 4.09Å; L458-F464 HydrophobicContact CD1-CZ 3.86Å; L458-F464 HydrophobicContact CD2-CD2 3.94Å; L458-F464 HydrophobicContact CD2-CE2 3.56Å; L458-F464 HydrophobicContact CD2-CZ 4.19Å; L458-F464 HydrophobicContact CG-CD2 4.46Å; L458-F464 HydrophobicContact CG-CE2 3.61Å; L458-F464 HydrophobicContact CG-CZ 3.86Å; L458-T466 HydrophobicContact CD2-CG2 4.34Å; L458-L475 HydrophobicContact CD2-CD1 3.63Å; L458-L475 HydrophobicContact CD2-CD2 3.75Å; L458-L475 HydrophobicContact CD2-CG 4.36Å; L458-Y488 HydrophobicContact CD1-CE1 4.01Å
459P86.5Confident90.4Very high93 Ų9371.7 Ų71.760%0.60443%0.426SS*.PPolyproline II helixtrans-71.2148.6-179.130.4-35.3000111P457 A461 F464P457-P459 WeakPolarHBondContact O-CD 3.45Å; P459-A461 PolarHBondContact O-N 3.41Å; P459-F464 WeakPolarHBondContact O-CE2 3.43Å; P459-F464 VanDerWaalsContact O-CZ 3.28Å; P459-F464 WeakPolarHBondContact O-CZ 3.39Å
460A82.1Confident90.1Very high112 Ų11279 Ų7993%0.92645%0.45SS*.PPolyproline II helixtrans-62130.8171.700000110.8
461A85.3Confident89.7Confident50 Ų5074.2 Ų74.241%0.41343%0.429SS..  trans-143167.9-178.800000110.7P459 F464P459-A461 PolarHBondContact O-N 3.41Å; A461-F464 HydrophobicContact CB-CD1 4.26Å; A461-F464 HydrophobicContact CB-CE1 3.7Å; A461-F464 HydrophobicContact CB-CE2 3.97Å; A461-F464 HydrophobicContact CB-CZ 3.53Å
462S85.4Confident89.5Confident113 Ų11379.4 Ų79.479%0.7945%0.449SS*.SBendtrans-85.5-20.3176.352.50000114.2
463R91.1Very high89.4Confident42 Ų4277 Ų7716%0.15844%0.44CS..SBendtrans-80.6-17.4-177.4-61.1-160.5-62.8100.8-0.1114.2L478 Y479 N481 D484R463-L478 WeakPolarHBondContact O-CB 3.15Å; R463-L478 PolarHBondContact O-N 3.26Å; R463-Y479 WeakPolarHBondContact CD-OH 3.24Å; R463-Y479 HydrophobicContact CG-CE1 4.29Å; R463-Y479 HydrophobicContact CG-CE2 4.2Å; R463-Y479 PolarHBondContact NH1-O 3.27Å; R463-N481 PolarHBondContact NH1-OD1 2.71Å; R463-D484 IonicContact CZ-OD1 3.97Å; R463-D484 IonicContact CZ-OD2 2.68Å; R463-D484 IonicContact NH1-OD1 2.96Å; R463-D484 IonicContact NH1-OD2 2.92Å; R463-D484 PolarHBondContact NH1-OD2 2.84Å; R463-D484 IonicContact NH2-OD1 3.93Å; R463-D484 PolarHBondContact NH2-OD1 3.47Å; R463-D484 IonicContact NH2-OD2 3.91Å; R463-D484 PolarHBondContact NH2-OD2 2.77Å
464F91.7Very high89.5Confident23 Ų2376.6 Ų76.610%0.10144%0.441CS..EExtended strand (participates in β ladder)trans-146.2153.5-178.355.9-104.9000111.9L458 P459 A461 L475 D476 F477L458-F464 HydrophobicContact CD1-CE2 4.09Å; L458-F464 HydrophobicContact CD1-CZ 3.86Å; L458-F464 HydrophobicContact CD2-CD2 3.94Å; L458-F464 HydrophobicContact CD2-CE2 3.56Å; L458-F464 HydrophobicContact CD2-CZ 4.19Å; L458-F464 HydrophobicContact CG-CD2 4.46Å; L458-F464 HydrophobicContact CG-CE2 3.61Å; L458-F464 HydrophobicContact CG-CZ 3.86Å; P459-F464 WeakPolarHBondContact O-CE2 3.43Å; P459-F464 VanDerWaalsContact O-CZ 3.28Å; P459-F464 WeakPolarHBondContact O-CZ 3.39Å; A461-F464 HydrophobicContact CB-CD1 4.26Å; A461-F464 HydrophobicContact CB-CE1 3.7Å; A461-F464 HydrophobicContact CB-CE2 3.97Å; A461-F464 HydrophobicContact CB-CZ 3.53Å; F464-L475 HydrophobicContact CB-CD1 4.11Å; F464-L475 HydrophobicContact CD2-CD1 3.95Å; F464-L475 HydrophobicContact CG-CD1 4.26Å; F464-D476 CarbonylContact C-O 3.58Å; F464-D476 WeakPolarHBondContact CA-O 3.33Å; F464-D476 WeakPolarHBondContact CB-O 3.39Å; F464-F477 HydrophobicContact CB-CB 4.34Å; F464-F477 HydrophobicContact CB-CD1 3.53Å; F464-F477 HydrophobicContact CB-CD2 4.44Å; F464-F477 HydrophobicContact CB-CE1 3.91Å; F464-F477 HydrophobicContact CB-CG 3.81Å; F464-F477 AromaticContact CD1-CD1 3.74Å; F464-F477 HydrophobicContact CD1-CD1 3.74Å; F464-F477 AromaticContact CD1-CE1 3.53Å; F464-F477 HydrophobicContact CD1-CE1 3.53Å; F464-F477 HydrophobicContact CD1-CZ 4.46Å; F464-F477 HydrophobicContact CE1-CE1 4.28Å; F464-F477 AromaticContact CG-CD1 3.98Å; F464-F477 HydrophobicContact CG-CD1 3.98Å; F464-F477 AromaticContact CG-CE1 3.9Å; F464-F477 HydrophobicContact CG-CE1 3.9Å
465T92.4Very high89.6Confident78 Ų7872.2 Ų72.248%0.47942%0.417SS..EExtended strand (participates in β ladder)trans-129.3149.3-179.770.70000111L475 D476T465-L475 WeakPolarHBondContact O-CA 3.35Å; T465-D476 PolarHBondContact N-O 3.5Å; T465-D476 PolarHBondContact O-N 2.86Å
466T92.4Very high89.9Confident81 Ų8172.3 Ų72.350%0.49740%0.402SS..EExtended strand (participates in β ladder)trans-117126.1176.253.60000109.6W451 L458 V474 L475W451-T466 HydrophobicContact CB-CG2 4.31Å; W451-T466 VanDerWaalsContact CD1-CG2 3.42Å; W451-T466 HydrophobicContact CG-CG2 4Å; L458-T466 HydrophobicContact CD2-CG2 4.34Å; T466-V474 CarbonylContact C-O 3.58Å; T466-V474 WeakPolarHBondContact CA-O 3.21Å; T466-L475 HydrophobicContact CG2-CB 4.5Å; T466-L475 HydrophobicContact CG2-CD1 3.87Å
467T91.2Very high90.1Very high82 Ų8265 Ų6550%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-127.2150.9178.761.90000111.7A473 V474T467-A473 WeakPolarHBondContact O-CA 3.13Å; T467-V474 PolarHBondContact N-O 2.91Å; T467-V474 PolarHBondContact O-N 2.96Å
468F90Very high90.1Very high76 Ų7666.8 Ų66.833%0.33337%0.374SS..EExtended strand (participates in β ladder)trans-143.1120.5177.2-176.6-116000110.9V439 L447 V449 Y472 A473V439-F468 HydrophobicContact CG1-CE2 3.67Å; V439-F468 HydrophobicContact CG1-CZ 3.99Å; L447-F468 HydrophobicContact CD2-CE1 4.49Å; L447-F468 HydrophobicContact CD2-CZ 3.81Å; L447-F468 HydrophobicContact CG-CE1 4.2Å; L447-F468 HydrophobicContact CG-CZ 3.85Å; L447-F468 WeakPolarHBondContact O-CE1 3.4Å; V449-F468 HydrophobicContact CB-CD2 4.19Å; V449-F468 HydrophobicContact CB-CE2 4.46Å; V449-F468 HydrophobicContact CB-CG 4.43Å; V449-F468 HydrophobicContact CG2-CD1 4.44Å; V449-F468 HydrophobicContact CG2-CD2 3.69Å; V449-F468 HydrophobicContact CG2-CE1 4.26Å; V449-F468 HydrophobicContact CG2-CE2 3.48Å; V449-F468 VanDerWaalsContact CG2-CE2 3.48Å; V449-F468 HydrophobicContact CG2-CG 4.18Å; V449-F468 HydrophobicContact CG2-CZ 3.79Å; F468-Y472 VanDerWaalsContact CA-O 3.31Å; F468-Y472 WeakPolarHBondContact CA-O 3.44Å; F468-Y472 WeakPolarHBondContact CD2-O 3.23Å; F468-A473 HydrophobicContact CD2-CB 3.96Å
469D87.9Confident90Very high88 Ų8870.1 Ų70.147%0.47139%0.385SS..EExtended strand (participates in β ladder)trans-143.3134.5171.8178.147000110.8G471 Y472D469-G471 PolarHBondContact O-N 3.37Å; D469-G471 VanDerWaalsContact O-N 3.08Å; D469-Y472 PolarHBondContact N-O 3.42Å; D469-Y472 WeakPolarHBondContact O-CB 3.22Å; D469-Y472 PolarHBondContact O-N 3.27Å
470R85.3Confident90.2Very high179 Ų17965.8 Ų65.868%0.67536%0.357SS*.THydrogen-bonded Turntrans44.844.9173.6-66.7162.2-175.7120.3-5.7114A442 Y472A442-R470 WeakPolarHBondContact CB-O 3.32Å; A442-R470 CarbonylContact O-C 3.46Å; A442-R470 WeakPolarHBondContact O-CA 3.4Å; R470-Y472 VanDerWaalsContact C-N 3.31Å; R470-Y472 PolarHBondContact O-N 3.05Å
471G85.9Confident90.5Very high1 Ų162.7 Ų62.71%0.0133%0.325CS..THydrogen-bonded Turntrans77.52179.900000115.7R438 V439 D469R438-G471 CarbonylContact C-O 3.56Å; R438-G471 WeakPolarHBondContact CA-O 3.5Å; R438-G471 WeakPolarHBondContact CG-O 3.4Å; V439-G471 PolarHBondContact N-O 3.14Å; V439-G471 WeakPolarHBondContact O-CA 3.49Å; D469-G471 PolarHBondContact O-N 3.37Å; D469-G471 VanDerWaalsContact O-N 3.08Å
472Y91.7Very high90.5Very high121 Ų12164.9 Ų64.948%0.47533%0.326SS..EExtended strand (participates in β ladder)trans-92.7123.8168.1-65.6-88.4000109.8R438 F468 D469 R470R438-Y472 HydrophobicContact CB-CD1 4.35Å; R438-Y472 HydrophobicContact CG-CD1 4Å; R438-Y472 HydrophobicContact CG-CE1 4.08Å; R438-Y472 HydrophobicContact CG-CG 4.4Å; R438-Y472 PolarHBondContact NH1-OH 2.83Å; R438-Y472 PolarHBondContact NH2-OH 2.85Å; F468-Y472 VanDerWaalsContact CA-O 3.31Å; F468-Y472 WeakPolarHBondContact CA-O 3.44Å; F468-Y472 WeakPolarHBondContact CD2-O 3.23Å; D469-Y472 PolarHBondContact N-O 3.42Å; D469-Y472 WeakPolarHBondContact O-CB 3.22Å; D469-Y472 PolarHBondContact O-N 3.27Å; R470-Y472 VanDerWaalsContact C-N 3.31Å; R470-Y472 PolarHBondContact O-N 3.05Å
473A92.8Very high90.6Very high1 Ų165.5 Ų65.51%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-108.4135.1171.700000109.5T436 A437 V449 W451 T467 F468T436-A473 WeakPolarHBondContact CA-O 3.29Å; A437-A473 HydrophobicContact CB-CB 4.49Å; A437-A473 PolarHBondContact N-O 2.9Å; A437-A473 PolarHBondContact O-N 2.9Å; V449-A473 HydrophobicContact CB-CB 4.45Å; V449-A473 HydrophobicContact CG1-CB 3.84Å; W451-A473 HydrophobicContact CZ2-CB 4.19Å; T467-A473 WeakPolarHBondContact O-CA 3.13Å; F468-A473 HydrophobicContact CD2-CB 3.96Å
474V94.7Very high90.6Very high36 Ų3663.7 Ų63.722%0.21832%0.315CS..EExtended strand (participates in β ladder)trans-133.6135.9178.9-176.20000109.5I435 T436 T466 T467 D476I435-V474 WeakPolarHBondContact O-CA 3.2Å; T436-V474 HydrophobicContact CG2-CG1 4.11Å; T436-V474 HydrophobicContact CG2-CG2 4.02Å; T466-V474 CarbonylContact C-O 3.58Å; T466-V474 WeakPolarHBondContact CA-O 3.21Å; T467-V474 PolarHBondContact N-O 2.91Å; T467-V474 PolarHBondContact O-N 2.96Å; V474-D476 HydrophobicContact CG1-CB 4.24Å
475L94.6Very high90.6Very high0 Ų065.8 Ų65.80%033%0.327CS..EExtended strand (participates in β ladder)trans-114120.8162.6165.360.3000107.2N434 I435 W451 L458 F464 T465 T466 F477 Y488N434-L475 CarbonylContact C-O 3.54Å; N434-L475 VanDerWaalsContact CA-O 3.32Å; N434-L475 WeakPolarHBondContact CA-O 3.32Å; I435-L475 HydrophobicContact CB-CB 4.46Å; I435-L475 HydrophobicContact CD1-CD2 4.31Å; I435-L475 PolarHBondContact N-O 3.45Å; I435-L475 PolarHBondContact O-N 2.79Å; W451-L475 HydrophobicContact CD2-CB 3.71Å; W451-L475 HydrophobicContact CD2-CD2 4.09Å; W451-L475 HydrophobicContact CE3-CB 3.98Å; W451-L475 HydrophobicContact CE3-CD2 3.86Å; W451-L475 HydrophobicContact CG-CB 4.26Å; W451-L475 HydrophobicContact CG-CD2 4.43Å; W451-L475 HydrophobicContact CH2-CB 4.08Å; W451-L475 HydrophobicContact CZ2-CB 3.81Å; W451-L475 HydrophobicContact CZ3-CB 4.16Å; W451-L475 HydrophobicContact CZ3-CD2 4.39Å; L458-L475 HydrophobicContact CD2-CD1 3.63Å; L458-L475 HydrophobicContact CD2-CD2 3.75Å; L458-L475 HydrophobicContact CD2-CG 4.36Å; F464-L475 HydrophobicContact CB-CD1 4.11Å; F464-L475 HydrophobicContact CD2-CD1 3.95Å; F464-L475 HydrophobicContact CG-CD1 4.26Å; T465-L475 WeakPolarHBondContact O-CA 3.35Å; T466-L475 HydrophobicContact CG2-CB 4.5Å; T466-L475 HydrophobicContact CG2-CD1 3.87Å; L475-F477 HydrophobicContact CD1-CD2 4.46Å; L475-F477 HydrophobicContact CD1-CE2 3.99Å; L475-F477 HydrophobicContact CD1-CZ 4.24Å; L475-F477 HydrophobicContact CD2-CE2 3.75Å; L475-F477 HydrophobicContact CD2-CZ 4Å; L475-F477 HydrophobicContact CG-CD2 4.22Å; L475-F477 HydrophobicContact CG-CE2 3.58Å; L475-F477 HydrophobicContact CG-CZ 4.16Å; L475-Y488 HydrophobicContact CD2-CD1 3.62Å; L475-Y488 HydrophobicContact CD2-CE1 3.98Å
476D93.9Very high90.6Very high70 Ų7062.3 Ų62.337%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-125.7124.7-170.3-168.561.9000109.4N434 F464 T465 V474N434-D476 HydrophobicContact CB-CB 4.49Å; N434-D476 WeakPolarHBondContact CB-OD1 3.36Å; F464-D476 CarbonylContact C-O 3.58Å; F464-D476 WeakPolarHBondContact CA-O 3.33Å; F464-D476 WeakPolarHBondContact CB-O 3.39Å; T465-D476 PolarHBondContact N-O 3.5Å; T465-D476 PolarHBondContact O-N 2.86Å; V474-D476 HydrophobicContact CG1-CB 4.24Å
477F94.1Very high90.7Very high2 Ų261.4 Ų61.41%0.00930%0.299CS..EExtended strand (participates in β ladder)trans-110.3129.2-177-66.8-103.8000110.5P432 A433 I435 F464 L475 M480 Y488P432-F477 WeakPolarHBondContact CA-O 3.21Å; P432-F477 WeakPolarHBondContact CB-O 3.2Å; A433-F477 HydrophobicContact CB-CB 4.21Å; A433-F477 HydrophobicContact CB-CD2 4.29Å; A433-F477 PolarHBondContact N-O 2.94Å; A433-F477 VanDerWaalsContact N-O 3.12Å; A433-F477 PolarHBondContact O-N 2.84Å; I435-F477 HydrophobicContact CD1-CE2 4.28Å; F464-F477 HydrophobicContact CB-CB 4.34Å; F464-F477 HydrophobicContact CB-CD1 3.53Å; F464-F477 HydrophobicContact CB-CD2 4.44Å; F464-F477 HydrophobicContact CB-CE1 3.91Å; F464-F477 HydrophobicContact CB-CG 3.81Å; F464-F477 AromaticContact CD1-CD1 3.74Å; F464-F477 HydrophobicContact CD1-CD1 3.74Å; F464-F477 AromaticContact CD1-CE1 3.53Å; F464-F477 HydrophobicContact CD1-CE1 3.53Å; F464-F477 HydrophobicContact CD1-CZ 4.46Å; F464-F477 HydrophobicContact CE1-CE1 4.28Å; F464-F477 AromaticContact CG-CD1 3.98Å; F464-F477 HydrophobicContact CG-CD1 3.98Å; F464-F477 AromaticContact CG-CE1 3.9Å; F464-F477 HydrophobicContact CG-CE1 3.9Å; L475-F477 HydrophobicContact CD1-CD2 4.46Å; L475-F477 HydrophobicContact CD1-CE2 3.99Å; L475-F477 HydrophobicContact CD1-CZ 4.24Å; L475-F477 HydrophobicContact CD2-CE2 3.75Å; L475-F477 HydrophobicContact CD2-CZ 4Å; L475-F477 HydrophobicContact CG-CD2 4.22Å; L475-F477 HydrophobicContact CG-CE2 3.58Å; L475-F477 HydrophobicContact CG-CZ 4.16Å; F477-M480 HydrophobicContact CB-CE 3.87Å; F477-M480 HydrophobicContact CD1-CE 3.27Å; F477-M480 HydrophobicContact CD2-CE 3.82Å; F477-M480 HydrophobicContact CE1-CE 3.6Å; F477-M480 HydrophobicContact CE2-CE 4.08Å; F477-M480 HydrophobicContact CG-CE 3.41Å; F477-M480 VanDerWaalsContact CG-CE 3.41Å; F477-M480 HydrophobicContact CZ-CE 3.99Å; F477-Y488 HydrophobicContact CE2-CE1 4.44Å; F477-Y488 AromaticContact CZ-CE1 3.67Å; F477-Y488 HydrophobicContact CZ-CE1 3.67Å; F477-Y488 AromaticContact CZ-CZ 3.78Å
478L91.1Very high90.9Very high125 Ų12557.5 Ų57.565%0.65428%0.275SS*.SBendtrans-70-33.5177.6-17265000112.4R463R463-L478 WeakPolarHBondContact O-CB 3.15Å; R463-L478 PolarHBondContact O-N 3.26Å
479Y90Very high91.1Very high100 Ų10054.4 Ų54.439%0.39226%0.262SS..SBendtrans-161.4144.4170.854-87.3000110.5G430 R463 N481G430-Y479 VanDerWaalsContact O-CB 3.25Å; G430-Y479 WeakPolarHBondContact O-CB 3.47Å; R463-Y479 WeakPolarHBondContact CD-OH 3.24Å; R463-Y479 HydrophobicContact CG-CE1 4.29Å; R463-Y479 HydrophobicContact CG-CE2 4.2Å; R463-Y479 PolarHBondContact NH1-O 3.27Å; Y479-N481 VanDerWaalsContact CD2-OD1 3.24Å; Y479-N481 WeakPolarHBondContact CD2-OD1 3.37Å; Y479-N481 WeakPolarHBondContact CE2-OD1 3.07Å
480M90.1Very high91.4Very high1 Ų150.2 Ų50.21%0.00524%0.24CC..  trans-86.5136.3177-67.2-91.677.700112I427 G430 E431 A433 F477 D484 V506 I508I427-M480 HydrophobicContact CB-CG 4.46Å; I427-M480 HydrophobicContact CG2-CG 3.97Å; G430-M480 PolarHBondContact N-O 3.46Å; E431-M480 WeakPolarHBondContact O-CB 3.45Å; E431-M480 VanDerWaalsContact O-CG 3.23Å; E431-M480 WeakPolarHBondContact O-CG 3.04Å; E431-M480 PolarHBondContact O-N 2.94Å; A433-M480 HydrophobicContact CB-CE 4.1Å; A433-M480 HydrophobicContact CB-CG 3.75Å; A433-M480 HydrophobicContact CB-SD 3.56Å; A433-M480 VanDerWaalsContact CB-SD 3.56Å; F477-M480 HydrophobicContact CB-CE 3.87Å; F477-M480 HydrophobicContact CD1-CE 3.27Å; F477-M480 HydrophobicContact CD2-CE 3.82Å; F477-M480 HydrophobicContact CE1-CE 3.6Å; F477-M480 HydrophobicContact CE2-CE 4.08Å; F477-M480 HydrophobicContact CG-CE 3.41Å; F477-M480 VanDerWaalsContact CG-CE 3.41Å; F477-M480 HydrophobicContact CZ-CE 3.99Å; M480-D484 HydrophobicContact CE-CB 3.68Å; M480-V506 HydrophobicContact SD-CG1 3.99Å; M480-I508 HydrophobicContact CB-CD1 3.95Å; M480-I508 HydrophobicContact CB-CG1 4.29Å; M480-I508 HydrophobicContact CE-CD1 4.39Å; M480-I508 HydrophobicContact CG-CD1 4.4Å; M480-I508 HydrophobicContact SD-CD1 3.75Å; M480-I508 HydrophobicContact SD-CG1 4.08Å
481N89.6Confident91.9Very high47 Ų4742.2 Ų42.225%0.25121%0.211SC..  trans-114.7158.6169.5-69.244.6000110.1R463 Y479 D483 D484 I508R463-N481 PolarHBondContact NH1-OD1 2.71Å; Y479-N481 VanDerWaalsContact CD2-OD1 3.24Å; Y479-N481 WeakPolarHBondContact CD2-OD1 3.37Å; Y479-N481 WeakPolarHBondContact CE2-OD1 3.07Å; N481-D483 HydrophobicContact CB-CB 4.45Å; N481-D483 PolarHBondContact O-N 2.89Å; N481-D484 PolarHBondContact N-OD2 2.8Å; N481-D484 VanDerWaalsContact N-OD2 3.1Å; N481-D484 WeakPolarHBondContact O-CB 3.09Å; N481-D484 PolarHBondContact O-N 3.11Å; N481-I508 WeakPolarHBondContact O-CD1 3.49Å
482E85.2Confident92.2Very high96 Ų9642.1 Ų42.145%0.44921%0.21SC..G310 helixtrans-49.1-37173.266178148.600114.3E429 D484 N485 T516E429-E482 PolarHBondContact OE1-N 3.08Å; E482-D484 PolarHBondContact O-N 2.9Å; E482-D484 VanDerWaalsContact O-N 3.13Å; E482-N485 WeakPolarHBondContact O-CB 3.48Å; E482-N485 PolarHBondContact O-N 2.89Å; E482-T516 WeakPolarHBondContact OE1-CB 3.49Å; E482-T516 WeakPolarHBondContact OE1-CG2 3.3Å; E482-T516 PolarHBondContact OE1-OG1 3.28Å
483D87.9Confident92.2Very high126 Ų12638.8 Ų38.867%0.67420%0.203SC*.G310 helixtrans-54.4-26.2173-88.4-40.4000114.4K453 N481 N485K453-D483 PolarHBondContact NZ-O 2.85Å; N481-D483 HydrophobicContact CB-CB 4.45Å; N481-D483 PolarHBondContact O-N 2.89Å; D483-N485 PolarHBondContact O-N 3.48Å
484D90.6Very high92.1Very high5 Ų539.4 Ų39.43%0.02721%0.206CC..G310 helixtrans-78.2-4.6-176.7-67-44.3000114.2K453 R463 M480 N481 E482 Y488 I508K453-D484 VanDerWaalsContact NZ-CA 3.33Å; K453-D484 IonicContact NZ-OD1 2.7Å; R463-D484 IonicContact CZ-OD1 3.97Å; R463-D484 IonicContact CZ-OD2 2.68Å; R463-D484 IonicContact NH1-OD1 2.96Å; R463-D484 IonicContact NH1-OD2 2.92Å; R463-D484 PolarHBondContact NH1-OD2 2.84Å; R463-D484 IonicContact NH2-OD1 3.93Å; R463-D484 PolarHBondContact NH2-OD1 3.47Å; R463-D484 IonicContact NH2-OD2 3.91Å; R463-D484 PolarHBondContact NH2-OD2 2.77Å; M480-D484 HydrophobicContact CE-CB 3.68Å; N481-D484 PolarHBondContact N-OD2 2.8Å; N481-D484 VanDerWaalsContact N-OD2 3.1Å; N481-D484 WeakPolarHBondContact O-CB 3.09Å; N481-D484 PolarHBondContact O-N 3.11Å; E482-D484 PolarHBondContact O-N 2.9Å; E482-D484 VanDerWaalsContact O-N 3.13Å; D484-Y488 VanDerWaalsContact O-CE2 3.28Å; D484-Y488 WeakPolarHBondContact O-CE2 3.4Å; D484-Y488 PolarHBondContact O-OH 2.74Å; D484-I508 HydrophobicContact CB-CD1 3.53Å
485N91.9Very high91.8Very high66 Ų6641.6 Ų41.635%0.35322%0.223SC..  trans-60140.9176.4-159.9-49.2000112.1E482 D483 V506E482-N485 WeakPolarHBondContact O-CB 3.48Å; E482-N485 PolarHBondContact O-N 2.89Å; D483-N485 PolarHBondContact O-N 3.48Å; N485-V506 WeakPolarHBondContact CA-O 3.27Å; N485-V506 PolarHBondContact OD1-O 3.4Å; N485-V506 VanDerWaalsContact OD1-O 3.12Å
486G92.5Very high91.2Very high5 Ų545.1 Ų45.15%0.05224%0.239CC..EExtended strand (participates in β ladder)trans136.9-171.6175.600000115.7N454 Y488 V506N454-G486 WeakPolarHBondContact OD1-CA 3.15Å; G486-Y488 WeakPolarHBondContact O-CD2 3.47Å; G486-V506 PolarHBondContact N-O 2.8Å; G486-V506 PolarHBondContact O-N 3.12Å
487D94.8Very high91Very high63 Ų6343.2 Ų43.234%0.33724%0.236SC..EExtended strand (participates in β ladder)trans-95.2116.9-173.5-67.1-61.3000112.1K453 N454 C504 H505K453-D487 CarbonylContact C-O 3.48Å; K453-D487 WeakPolarHBondContact CA-O 3.38Å; N454-D487 PolarHBondContact N-O 2.9Å; N454-D487 PolarHBondContact OD1-N 3.32Å; D487-C504 WeakPolarHBondContact CA-O 3.37Å; D487-H505 WeakPolarHBondContact OD1-CB 3.32Å; D487-H505 IonicContact OD1-CG 3.55Å; D487-H505 IonicContact OD1-ND1 2.75Å; D487-H505 PolarHBondContact OD1-ND1 3.26Å; D487-H505 IonicContact OD2-ND1 3.52Å
488Y95.2Very high90.9Very high0 Ų049.5 Ų49.50%027%0.265CS..EExtended strand (participates in β ladder)trans-103.4128.6178.2-70-99.3000111.4I435 Y452 K453 L458 L475 F477 D484 G486 S503 C504 V506I435-Y488 HydrophobicContact CD1-CD1 4.29Å; I435-Y488 HydrophobicContact CD1-CD2 4.14Å; I435-Y488 HydrophobicContact CD1-CG 3.83Å; Y452-Y488 CarbonylContact O-C 3.58Å; Y452-Y488 VanDerWaalsContact O-CA 3.32Å; Y452-Y488 WeakPolarHBondContact O-CA 3.32Å; K453-Y488 HydrophobicContact CB-CD1 4.09Å; K453-Y488 HydrophobicContact CB-CE1 3.86Å; K453-Y488 HydrophobicContact CD-CE1 3.9Å; K453-Y488 HydrophobicContact CD-CE2 4.3Å; K453-Y488 WeakPolarHBondContact CD-OH 3.35Å; K453-Y488 WeakPolarHBondContact CE-OH 3.32Å; K453-Y488 HydrophobicContact CG-CD1 4.31Å; K453-Y488 HydrophobicContact CG-CE1 3.82Å; K453-Y488 HydrophobicContact CG-CE2 4.07Å; K453-Y488 PolarHBondContact NZ-OH 3.45Å; L458-Y488 HydrophobicContact CD1-CE1 4.01Å; L475-Y488 HydrophobicContact CD2-CD1 3.62Å; L475-Y488 HydrophobicContact CD2-CE1 3.98Å; F477-Y488 HydrophobicContact CE2-CE1 4.44Å; F477-Y488 AromaticContact CZ-CE1 3.67Å; F477-Y488 HydrophobicContact CZ-CE1 3.67Å; F477-Y488 AromaticContact CZ-CZ 3.78Å; D484-Y488 VanDerWaalsContact O-CE2 3.28Å; D484-Y488 WeakPolarHBondContact O-CE2 3.4Å; D484-Y488 PolarHBondContact O-OH 2.74Å; G486-Y488 WeakPolarHBondContact O-CD2 3.47Å; Y488-S503 CarbonylContact O-C 3.59Å; Y488-S503 VanDerWaalsContact O-CA 3.29Å; Y488-S503 WeakPolarHBondContact O-CA 3.19Å; Y488-C504 PolarHBondContact N-O 2.9Å; Y488-C504 PolarHBondContact O-N 2.85Å; Y488-V506 HydrophobicContact CD2-CB 4.04Å; Y488-V506 HydrophobicContact CD2-CG2 3.49Å; Y488-V506 VanDerWaalsContact CD2-CG2 3.49Å; Y488-V506 HydrophobicContact CE2-CB 3.93Å; Y488-V506 HydrophobicContact CE2-CG2 3.76Å; Y488-V506 HydrophobicContact CG-CG2 4.45Å
489S94.5Very high91Very high11 Ų1146 Ų468%0.07725%0.247CC..EExtended strand (participates in β ladder)trans-135.8151.9172.367.10000110.4Y452 Q500Y452-S489 PolarHBondContact N-O 2.93Å; Y452-S489 PolarHBondContact O-N 3.01Å; S489-Q500 PolarHBondContact OG-NE2 2.85Å; S489-Q500 VanDerWaalsContact OG-NE2 3.16Å
490C93.4Very high91.2Very high0 Ų046.6 Ų46.60%025%0.253CS..EExtended strand (participates in β ladder)trans-111139.8170.754.50000111.1F417 A437 V449 E450 W451 S501F417-C490 WeakPolarHBondContact CE1-SG 3.44Å; F417-C490 WeakPolarHBondContact CE2-O 3.41Å; F417-C490 HydrophobicContact CZ-CB 4.3Å; F417-C490 WeakPolarHBondContact CZ-O 3.23Å; F417-C490 WeakPolarHBondContact CZ-SG 3.28Å; A437-C490 VanDerWaalsContact CB-SG 3.51Å; V449-C490 HydrophobicContact CG1-CB 3.91Å; E450-C490 CarbonylContact O-C 3.6Å; E450-C490 WeakPolarHBondContact O-CA 3.28Å; E450-C490 WeakPolarHBondContact O-CB 3.35Å; W451-C490 HydrophobicContact CD2-CB 3.78Å; W451-C490 HydrophobicContact CE3-CB 3.81Å; W451-C490 HydrophobicContact CG-CB 4.35Å; W451-C490 HydrophobicContact CH2-CB 4.21Å; W451-C490 HydrophobicContact CZ2-CB 4.18Å; W451-C490 HydrophobicContact CZ3-CB 4.02Å; C490-S501 PolarHBondContact N-OG 2.86Å; C490-S501 PolarHBondContact O-N 2.88Å
491V94.7Very high91.3Very high10 Ų1046.9 Ų46.96%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-107.7127.1176.71790000107.7V449 E450 Y452 Q498 Q500V449-V491 WeakPolarHBondContact CA-O 3.29Å; E450-V491 PolarHBondContact N-O 2.71Å; E450-V491 PolarHBondContact O-N 2.7Å; Y452-V491 HydrophobicContact CD2-CB 4.33Å; Y452-V491 HydrophobicContact CD2-CG2 3.75Å; Y452-V491 HydrophobicContact CE2-CB 3.94Å; Y452-V491 HydrophobicContact CE2-CG2 3.64Å; V491-Q498 VanDerWaalsContact CG1-CD 3.42Å; V491-Q498 HydrophobicContact CG1-CG 3.52Å; V491-Q500 HydrophobicContact CG2-CB 4.39Å; V491-Q500 HydrophobicContact CG2-CG 3.98Å
492A93.5Very high91.5Very high0 Ų047.3 Ų47.30%026%0.263CS..EExtended strand (participates in β ladder)trans-110.4130.7176.900000109.7P415 F417 V439 L447 V448 V449 Q498 D499P415-A492 HydrophobicContact CB-CB 3.99Å; P415-A492 WeakPolarHBondContact CG-O 3.28Å; F417-A492 HydrophobicContact CE2-CB 3.79Å; F417-A492 HydrophobicContact CZ-CB 3.66Å; V439-A492 HydrophobicContact CB-CB 4.35Å; V439-A492 HydrophobicContact CG1-CB 4.49Å; V439-A492 HydrophobicContact CG2-CB 3.83Å; L447-A492 HydrophobicContact CD1-CB 4.17Å; V448-A492 CarbonylContact O-C 3.58Å; V448-A492 WeakPolarHBondContact O-CA 3.33Å; V449-A492 HydrophobicContact CG2-CB 4Å; A492-Q498 CarbonylContact O-C 3.54Å; A492-Q498 VanDerWaalsContact O-CA 3.32Å; A492-Q498 WeakPolarHBondContact O-CA 3.31Å; A492-D499 PolarHBondContact N-O 2.93Å; A492-D499 PolarHBondContact O-N 2.88Å
493T92.2Very high91.7Very high51 Ų5145.5 Ų45.531%0.31326%0.261SS..EExtended strand (participates in β ladder)trans-131.4136-175.8-49.40000109.9L447 V448 Q498L447-T493 WeakPolarHBondContact CA-O 3.27Å; V448-T493 PolarHBondContact N-O 3.21Å; V448-T493 PolarHBondContact O-N 2.86Å; T493-Q498 HydrophobicContact CG2-CB 4.34Å; T493-Q498 PolarHBondContact OG1-NE2 2.85Å
494N90.4Very high92Very high14 Ų1439.6 Ų39.68%0.07523%0.229CC..EExtended strand (participates in β ladder)trans-141.4-177.4172.480.2-0.2000111.8G413 P415 D444 L447 Q496 G497G413-N494 PolarHBondContact O-ND2 2.92Å; P415-N494 WeakPolarHBondContact CD-OD1 3.3Å; D444-N494 VanDerWaalsContact OD2-CB 3.28Å; D444-N494 WeakPolarHBondContact OD2-CB 3.18Å; D444-N494 PolarHBondContact OD2-ND2 3.5Å; L447-N494 HydrophobicContact CB-CB 4.35Å; L447-N494 HydrophobicContact CD1-CB 4.08Å; N494-Q496 PolarHBondContact O-N 2.73Å; N494-Q496 WeakPolarHBondContact OD1-CA 3.47Å; N494-Q496 PolarHBondContact OD1-N 3.23Å; N494-G497 PolarHBondContact N-O 3.36Å; N494-G497 PolarHBondContact O-N 3.5Å; N494-G497 PolarHBondContact OD1-N 3.18Å; N494-G497 VanDerWaalsContact OD1-N 3.08Å
495S86.8Confident92.1Very high82 Ų8242.3 Ų42.357%0.57324%0.241SC*.THydrogen-bonded Turntrans-59.5-15.8179.566.80000116T446T446-S495 PolarHBondContact OG1-N 3.01Å; T446-S495 VanDerWaalsContact OG1-N 3.16Å
496Q83.8Confident92.2Very high74 Ų7439.2 Ų39.235%0.34623%0.225SC..THydrogen-bonded Turntrans-108.8-6.9-178.6-56.4-56-75.700113.6N494N494-Q496 PolarHBondContact O-N 2.73Å; N494-Q496 WeakPolarHBondContact OD1-CA 3.47Å; N494-Q496 PolarHBondContact OD1-N 3.23Å
497G88.5Confident92.2Very high30 Ų3040.9 Ų40.931%0.30923%0.234SC..EExtended strand (participates in β ladder)trans158.6-164176.500000115.4P415 N494P415-G497 VanDerWaalsContact CD-C 3.42Å; P415-G497 WeakPolarHBondContact CD-O 3.26Å; P415-G497 WeakPolarHBondContact CG-O 3.48Å; N494-G497 PolarHBondContact N-O 3.36Å; N494-G497 PolarHBondContact O-N 3.5Å; N494-G497 PolarHBondContact OD1-N 3.18Å; N494-G497 VanDerWaalsContact OD1-N 3.08Å
498Q92.6Very high91.9Very high134 Ų13438.4 Ų38.463%0.62622%0.22SC*.EExtended strand (participates in β ladder)trans-136.9146.4178.3-177.7174.185.900110.1V491 A492 T493V491-Q498 VanDerWaalsContact CG1-CD 3.42Å; V491-Q498 HydrophobicContact CG1-CG 3.52Å; A492-Q498 CarbonylContact O-C 3.54Å; A492-Q498 VanDerWaalsContact O-CA 3.32Å; A492-Q498 WeakPolarHBondContact O-CA 3.31Å; T493-Q498 HydrophobicContact CG2-CB 4.34Å; T493-Q498 PolarHBondContact OG1-NE2 2.85Å
499D93.8Very high91.5Very high51 Ų5143 Ų4327%0.27324%0.244SC..EExtended strand (participates in β ladder)trans-139.2154.8174.4-175.130.7000109.6P415 Q416 F417 A492P415-D499 HydrophobicContact CB-CB 4.29Å; P415-D499 HydrophobicContact CG-CB 4Å; P415-D499 VanDerWaalsContact O-CB 3.29Å; P415-D499 WeakPolarHBondContact O-CB 3.38Å; Q416-D499 VanDerWaalsContact CA-OD2 3.3Å; Q416-D499 WeakPolarHBondContact CA-OD2 3.28Å; F417-D499 HydrophobicContact CD2-CB 4.38Å; F417-D499 WeakPolarHBondContact CD2-OD2 3.09Å; F417-D499 PolarHBondContact N-OD2 2.85Å; A492-D499 PolarHBondContact N-O 2.93Å; A492-D499 PolarHBondContact O-N 2.88Å
500Q93.7Very high90.4Very high112 Ų11246.2 Ų46.252%0.52327%0.265SS..EExtended strand (participates in β ladder)trans-127.9135.6-177.3-175.4175.214.600110.2S489 V491S489-Q500 PolarHBondContact OG-NE2 2.85Å; S489-Q500 VanDerWaalsContact OG-NE2 3.16Å; V491-Q500 HydrophobicContact CG2-CB 4.39Å; V491-Q500 HydrophobicContact CG2-CG 3.98Å
501S92.9Very high89.1Confident8 Ų853.1 Ų53.16%0.05630%0.297CS..PPolyproline II helixtrans-69159.9176.380.10000112F417 P421 C490F417-S501 VanDerWaalsContact CE2-N 3.35Å; P421-S501 VanDerWaalsContact CD-CB 3.44Å; P421-S501 WeakPolarHBondContact CD-OG 3.14Å; C490-S501 PolarHBondContact N-OG 2.86Å; C490-S501 PolarHBondContact O-N 2.88Å
502S92Very high87.4Confident56 Ų5662.3 Ų62.339%0.39234%0.339SS..PPolyproline II helixtrans-57.5153.3158.261.70000110.2H420H420-S502 WeakPolarHBondContact CB-OG 3.32Å
503S91.1Very high85.5Confident58 Ų5865.6 Ų65.641%0.40637%0.374SS..PPolyproline II helixtrans-71148171.649.30000111.7Y488Y488-S503 CarbonylContact O-C 3.59Å; Y488-S503 VanDerWaalsContact O-CA 3.29Å; Y488-S503 WeakPolarHBondContact O-CA 3.19Å
504C92.6Very high83.7Confident1 Ų168 Ų681%0.00739%0.388CS..EExtended strand (participates in β ladder)trans-102.9113.9161.9174.90000107.7P421 V422 I435 D487 Y488 V506P421-C504 HydrophobicContact CB-CB 3.71Å; V422-C504 VanDerWaalsContact O-CA 3.25Å; V422-C504 WeakPolarHBondContact O-CA 3.27Å; V422-C504 WeakPolarHBondContact O-CB 3.09Å; V422-C504 PolarHBondContact O-SG 3.03Å; I435-C504 HydrophobicContact CD1-CB 4.48Å; I435-C504 HydrophobicContact CG2-CB 3.98Å; D487-C504 WeakPolarHBondContact CA-O 3.37Å; Y488-C504 PolarHBondContact N-O 2.9Å; Y488-C504 PolarHBondContact O-N 2.85Å; C504-V506 PolarHBondContact O-N 2.91Å
505H93.8Very high81.8Confident63 Ų6372.1 Ų72.129%0.29241%0.413SS..EExtended strand (participates in β ladder)trans-82104.8175-169.473.8000109.9G423 Q424 L425 D487 T507G423-H505 PolarHBondContact O-N 2.65Å; Q424-H505 CarbonylContact C-O 3.48Å; Q424-H505 WeakPolarHBondContact CA-O 3.44Å; Q424-H505 HydrophobicContact CG-CB 4.42Å; Q424-H505 WeakPolarHBondContact CG-O 3.45Å; L425-H505 PolarHBondContact N-O 2.75Å; D487-H505 WeakPolarHBondContact OD1-CB 3.32Å; D487-H505 IonicContact OD1-CG 3.55Å; D487-H505 IonicContact OD1-ND1 2.75Å; D487-H505 PolarHBondContact OD1-ND1 3.26Å; D487-H505 IonicContact OD2-ND1 3.52Å; H505-T507 PolarHBondContact CD2-OG1 2.85Å; H505-T507 VanDerWaalsContact CD2-OG1 3.25Å
506V93.2Very high80.4Confident1 Ų171.8 Ų71.81%0.00641%0.408CS..EExtended strand (participates in β ladder)trans-88.6112.1179.1178.40000109L425 I435 M480 N485 G486 Y488 C504 I508L425-V506 HydrophobicContact CB-CG2 4.37Å; L425-V506 HydrophobicContact CD2-CG2 4.43Å; L425-V506 WeakPolarHBondContact O-CA 3.16Å; I435-V506 HydrophobicContact CD1-CG2 3.76Å; M480-V506 HydrophobicContact SD-CG1 3.99Å; N485-V506 WeakPolarHBondContact CA-O 3.27Å; N485-V506 PolarHBondContact OD1-O 3.4Å; N485-V506 VanDerWaalsContact OD1-O 3.12Å; G486-V506 PolarHBondContact N-O 2.8Å; G486-V506 PolarHBondContact O-N 3.12Å; Y488-V506 HydrophobicContact CD2-CB 4.04Å; Y488-V506 HydrophobicContact CD2-CG2 3.49Å; Y488-V506 VanDerWaalsContact CD2-CG2 3.49Å; Y488-V506 HydrophobicContact CE2-CB 3.93Å; Y488-V506 HydrophobicContact CE2-CG2 3.76Å; Y488-V506 HydrophobicContact CG-CG2 4.45Å; C504-V506 PolarHBondContact O-N 2.91Å; V506-I508 HydrophobicContact CG1-CD1 4.17Å; V506-I508 HydrophobicContact CG1-CG1 4.05Å
507T92.3Very high79Confident39 Ų3975.3 Ų75.324%0.23942%0.424CS..EExtended strand (participates in β ladder)trans-108118.9174.8-46.10000109.2L425 T426 I427 H505L425-T507 PolarHBondContact O-N 3.41Å; T426-T507 VanDerWaalsContact CA-O 3.29Å; T426-T507 WeakPolarHBondContact CA-O 3.45Å; I427-T507 PolarHBondContact N-O 3.15Å; H505-T507 PolarHBondContact CD2-OG1 2.85Å; H505-T507 VanDerWaalsContact CD2-OG1 3.25Å
508I89.9Confident77.7Confident11 Ų1177.7 Ų77.76%0.05643%0.433CS..EExtended strand (participates in β ladder)trans-100132-179.4-65.9161.4000109.2I427 E429 M480 N481 D484 V506 P510I427-I508 WeakPolarHBondContact O-CA 3.38Å; E429-I508 HydrophobicContact CB-CG2 4.16Å; M480-I508 HydrophobicContact CB-CD1 3.95Å; M480-I508 HydrophobicContact CB-CG1 4.29Å; M480-I508 HydrophobicContact CE-CD1 4.39Å; M480-I508 HydrophobicContact CG-CD1 4.4Å; M480-I508 HydrophobicContact SD-CD1 3.75Å; M480-I508 HydrophobicContact SD-CG1 4.08Å; N481-I508 WeakPolarHBondContact O-CD1 3.49Å; D484-I508 HydrophobicContact CB-CD1 3.53Å; V506-I508 HydrophobicContact CG1-CD1 4.17Å; V506-I508 HydrophobicContact CG1-CG1 4.05Å; I508-P510 WeakPolarHBondContact O-CD 3.32Å
509I85.1Confident76.1Confident98 Ų9877.7 Ų77.750%0.50343%0.433SS..EExtended strand (participates in β ladder)trans-91.3110.7174.8-57.2177.3000106.8T426 I427 A428 E429T426-I509 HydrophobicContact CG2-CD1 3.68Å; T426-I509 HydrophobicContact CG2-CG1 3.81Å; I427-I509 PolarHBondContact O-N 2.82Å; A428-I509 WeakPolarHBondContact CA-O 3.49Å; E429-I509 PolarHBondContact N-O 2.82Å
510P72.7Confident74.3Confident78 Ų7878.6 Ų78.651%0.50644%0.437SS..  trans-65.6144.9174.729-34.6000109.9I508 E512I508-P510 WeakPolarHBondContact O-CD 3.32Å; P510-E512 PolarHBondContact O-N 3.4Å
511E65.8Low72.8Confident145 Ų14577.5 Ų77.568%0.67844%0.44SS*.  trans-77.6118.9173.8-168.4173.4-161.300109.4G513 V514E511-G513 VanDerWaalsContact C-N 3.31Å; E511-G513 PolarHBondContact O-N 3.44Å; E511-V514 PolarHBondContact O-N 3.5Å
512E58.6Low71.3Confident202 Ų20285 Ų8594%0.94447%0.474SS*.THydrogen-bonded Turntrans-64.384.4-176.8-73.1-168.5168.600112.1P510P510-E512 PolarHBondContact O-N 3.4Å
513G54.6Low69.7Low70 Ų7091.6 Ų91.672%0.72250%0.499SS*.THydrogen-bonded Turntrans172.7-25.1178.200000115.3E511E511-G513 VanDerWaalsContact C-N 3.31Å; E511-G513 PolarHBondContact O-N 3.44Å
514V52.9Low68.4Low101 Ų10190.8 Ų90.861%0.61249%0.493SS*.  trans-94.1123.5177.7-174.70000110E511 T516E511-V514 PolarHBondContact O-N 3.5Å; V514-T516 HydrophobicContact CG1-CG2 4.19Å
515V50.8Low66.8Low100 Ų10093 Ų9361%0.60650%0.504SS*.  trans-102.598176-169.90000108.4Q519V515-Q519 HydrophobicContact CG1-CG 3.54Å
516T57Low65.5Low76 Ų7694.8 Ų94.847%0.46652%0.515SS..  trans-75.2-38.8-176.750.70000112.4E482 V514 T518E482-T516 WeakPolarHBondContact OE1-CB 3.49Å; E482-T516 WeakPolarHBondContact OE1-CG2 3.3Å; E482-T516 PolarHBondContact OE1-OG1 3.28Å; V514-T516 HydrophobicContact CG1-CG2 4.19Å; T516-T518 PolarHBondContact O-N 2.96Å
517E55.5Low64.4Low147 Ų14796.9 Ų96.969%0.68753%0.532SS*.SBendtrans-67127.6170.6-175.2-177.1-140.900110.9Q519E517-Q519 PolarHBondContact O-N 3.25Å; E517-Q519 PolarHBondContact O-NE2 3.23Å
518T61.2Low63.2Low81 Ų8198.3 Ų98.350%0.49754%0.538SS..  trans-69.5107.8-176.5-64.50000111.9T516 L520 M525T516-T518 PolarHBondContact O-N 2.96Å; T518-L520 HydrophobicContact CG2-CB 3.88Å; T518-L520 HydrophobicContact CG2-CD1 4.04Å; T518-L520 HydrophobicContact CG2-CG 4.02Å; T518-L520 PolarHBondContact O-N 3.01Å; T518-M525 HydrophobicContact CG2-CE 4.11Å; T518-M525 HydrophobicContact CG2-CG 4.19Å; T518-M525 HydrophobicContact CG2-SD 3.45Å; T518-M525 WeakPolarHBondContact CG2-SD 3.08Å
519Q57.7Low62.1Low133 Ų133101 Ų10162%0.62155%0.553SS**  trans-71.220.9-179.6-58.3-58.4-59.500115.1V515 E517V515-Q519 HydrophobicContact CG1-CG 3.54Å; E517-Q519 PolarHBondContact O-N 3.25Å; E517-Q519 PolarHBondContact O-NE2 3.23Å
520L57.1Low61.6Low70 Ų7097 Ų9737%0.36653%0.534SS..SBendtrans-100.4130.7173-62.8171.2000108T518 E522 M525T518-L520 HydrophobicContact CG2-CB 3.88Å; T518-L520 HydrophobicContact CG2-CD1 4.04Å; T518-L520 HydrophobicContact CG2-CG 4.02Å; T518-L520 PolarHBondContact O-N 3.01Å; L520-E522 PolarHBondContact O-N 3.26Å; L520-M525 HydrophobicContact CB-CG 3.39Å; L520-M525 HydrophobicContact CB-SD 4.44Å; L520-M525 HydrophobicContact CD1-CG 4.06Å; L520-M525 HydrophobicContact CG-CG 4.37Å
521P61.3Low61.8Low90 Ų9099.5 Ų99.558%0.58454%0.54SS*.  trans-55.9129.7178.9-24.933.6000111.4E523 S524 M525P521-E523 PolarHBondContact O-N 2.89Å; P521-S524 CarbonylContact O-C 3.44Å; P521-S524 WeakPolarHBondContact O-CA 3.13Å; P521-S524 WeakPolarHBondContact O-CB 3.38Å; P521-S524 PolarHBondContact O-N 3.14Å; P521-M525 PolarHBondContact O-N 3.09Å
522E61.4Low61.9Low165 Ų16597.8 Ų97.877%0.77153%0.534SS*.Hα-helixtrans-56.5-47.1-166.1-168.4177.2-155.800113.4L520 S524 M525L520-E522 PolarHBondContact O-N 3.26Å; E522-S524 PolarHBondContact O-N 3.44Å; E522-M525 HydrophobicContact CB-CE 4.3Å; E522-M525 HydrophobicContact CG-CE 4.23Å; E522-M525 PolarHBondContact O-N 3.42Å
523E59.6Low62.6Low194 Ų19493.2 Ų93.291%0.90751%0.513SS*.Hα-helixtrans-64.8-19.1175.7-59.1-169140.900113.7P521P521-E523 PolarHBondContact O-N 2.89Å
524S63.9Low63.5Low41 Ų4192 Ų9229%0.28749%0.489SS..Hα-helixtrans-106-8.4-177.7-158.60000113.5P521 E522 A527 N528P521-S524 CarbonylContact O-C 3.44Å; P521-S524 WeakPolarHBondContact O-CA 3.13Å; P521-S524 WeakPolarHBondContact O-CB 3.38Å; P521-S524 PolarHBondContact O-N 3.14Å; E522-S524 PolarHBondContact O-N 3.44Å; S524-A527 PolarHBondContact O-N 2.87Å; S524-N528 VanDerWaalsContact O-CB 3.29Å; S524-N528 WeakPolarHBondContact O-CB 3.26Å; S524-N528 PolarHBondContact O-N 3.33Å; S524-N528 PolarHBondContact O-ND2 3.32Å; S524-N528 PolarHBondContact OG-ND2 2.88Å; S524-N528 PolarHBondContact OG-OD1 2.81Å
525M58Low64.4Low49 Ų4992.6 Ų92.624%0.24149%0.485CS..Hα-helixtrans-56.1-62-177.7-105.3-164.3-96.600111.8T518 L520 P521 E522 A527 N528 L529T518-M525 HydrophobicContact CG2-CE 4.11Å; T518-M525 HydrophobicContact CG2-CG 4.19Å; T518-M525 HydrophobicContact CG2-SD 3.45Å; T518-M525 WeakPolarHBondContact CG2-SD 3.08Å; L520-M525 HydrophobicContact CB-CG 3.39Å; L520-M525 HydrophobicContact CB-SD 4.44Å; L520-M525 HydrophobicContact CD1-CG 4.06Å; L520-M525 HydrophobicContact CG-CG 4.37Å; P521-M525 PolarHBondContact O-N 3.09Å; E522-M525 HydrophobicContact CB-CE 4.3Å; E522-M525 HydrophobicContact CG-CE 4.23Å; E522-M525 PolarHBondContact O-N 3.42Å; M525-A527 PolarHBondContact O-N 3.3Å; M525-N528 PolarHBondContact O-N 2.94Å; M525-L529 WeakPolarHBondContact O-CB 3.03Å; M525-L529 WeakPolarHBondContact O-CG 2.96Å; M525-L529 PolarHBondContact O-N 3.12Å
526I66Low65.2Low99 Ų9990.7 Ų90.751%0.50847%0.471SS..Hα-helixtrans-63.7-34.8-175.5-63.1160.5000110.5T27 A530T27-I526 HydrophobicContact CG2-CD1 3.7Å; I526-A530 WeakPolarHBondContact O-CB 3.46Å; I526-A530 PolarHBondContact O-N 3.08Å
527A71Confident65.8Low45 Ų4591.9 Ų91.937%0.37248%0.478SS..Hα-helixtrans-68-46.6176.100000112.2S524 M525 M531S524-A527 PolarHBondContact O-N 2.87Å; M525-A527 PolarHBondContact O-N 3.3Å; A527-M531 VanDerWaalsContact O-CB 3.27Å; A527-M531 WeakPolarHBondContact O-CB 3.34Å; A527-M531 WeakPolarHBondContact O-CG 3.34Å; A527-M531 PolarHBondContact O-N 2.91Å
528N66.6Low66.4Low69 Ų6993.6 Ų93.637%0.36948%0.478SS..Hα-helixtrans-71.2-37.6-179.5-68.4-19.9000111.9S524 M525 M532S524-N528 VanDerWaalsContact O-CB 3.29Å; S524-N528 WeakPolarHBondContact O-CB 3.26Å; S524-N528 PolarHBondContact O-N 3.33Å; S524-N528 PolarHBondContact O-ND2 3.32Å; S524-N528 PolarHBondContact OG-ND2 2.88Å; S524-N528 PolarHBondContact OG-OD1 2.81Å; M525-N528 PolarHBondContact O-N 2.94Å; N528-M532 WeakPolarHBondContact O-CB 3.35Å; N528-M532 PolarHBondContact O-N 3.03Å
529L66.7Low66.6Low69 Ų6993.6 Ų93.636%0.36148%0.475SS..Hα-helixtrans-61.7-54.8172.1-73.4167.4000110.3M525 M531 M532 E533M525-L529 WeakPolarHBondContact O-CB 3.03Å; M525-L529 WeakPolarHBondContact O-CG 2.96Å; M525-L529 PolarHBondContact O-N 3.12Å; L529-M531 VanDerWaalsContact C-N 3.32Å; L529-M531 PolarHBondContact O-N 2.78Å; L529-M532 HydrophobicContact CD2-CE 4.45Å; L529-M532 CarbonylContact O-C 3.59Å; L529-M532 PolarHBondContact O-N 2.8Å; L529-E533 WeakPolarHBondContact O-CB 3.49Å; L529-E533 VanDerWaalsContact O-CG 3.32Å; L529-E533 WeakPolarHBondContact O-CG 3.4Å; L529-E533 PolarHBondContact O-N 3.02Å
530A76Confident66.5Low13 Ų1389 Ų8911%0.10746%0.464CS..Hα-helixtrans-62.6-34.9179.600000113.2L30 I526 D534L30-A530 HydrophobicContact CD1-CB 3.63Å; I526-A530 WeakPolarHBondContact O-CB 3.46Å; I526-A530 PolarHBondContact O-N 3.08Å; A530-D534 WeakPolarHBondContact O-CB 3.37Å; A530-D534 PolarHBondContact O-N 3.43Å
531M76.8Confident66.6Low130 Ų13089.5 Ų89.564%0.6447%0.466SS*.Hα-helixtrans-71.4-31.5173.2-72.6-177.587.100112.6A527 L529 H535A527-M531 VanDerWaalsContact O-CB 3.27Å; A527-M531 WeakPolarHBondContact O-CB 3.34Å; A527-M531 WeakPolarHBondContact O-CG 3.34Å; A527-M531 PolarHBondContact O-N 2.91Å; L529-M531 VanDerWaalsContact C-N 3.32Å; L529-M531 PolarHBondContact O-N 2.78Å; M531-H535 WeakPolarHBondContact O-CB 3.32Å; M531-H535 PolarHBondContact O-N 3.33Å
532M68.4Low66.3Low109 Ų10987.9 Ų87.954%0.53745%0.453SS..Hα-helixtrans-76.1-39.5175.3-172.4167.665.300111.5N528 L529 H535 L536N528-M532 WeakPolarHBondContact O-CB 3.35Å; N528-M532 PolarHBondContact O-N 3.03Å; L529-M532 HydrophobicContact CD2-CE 4.45Å; L529-M532 CarbonylContact O-C 3.59Å; L529-M532 PolarHBondContact O-N 2.8Å; M532-H535 PolarHBondContact O-N 2.96Å; M532-L536 HydrophobicContact CG-CD1 4.17Å; M532-L536 WeakPolarHBondContact O-CB 3.35Å; M532-L536 WeakPolarHBondContact O-CG 3.48Å; M532-L536 PolarHBondContact O-N 3.09Å
533E71.6Confident65.9Low107 Ų10788.8 Ų88.850%0.545%0.449SS..Hα-helixtrans-59.6-52.3170.2-71.3167.6171.600110.6L529 H535 L536 V537L529-E533 WeakPolarHBondContact O-CB 3.49Å; L529-E533 VanDerWaalsContact O-CG 3.32Å; L529-E533 WeakPolarHBondContact O-CG 3.4Å; L529-E533 PolarHBondContact O-N 3.02Å; E533-H535 VanDerWaalsContact C-N 3.29Å; E533-H535 PolarHBondContact O-N 2.85Å; E533-L536 PolarHBondContact O-N 2.83Å; E533-L536 VanDerWaalsContact O-N 3.12Å; E533-V537 WeakPolarHBondContact O-CB 3.33Å; E533-V537 WeakPolarHBondContact O-CG2 3.29Å; E533-V537 PolarHBondContact O-N 3.45Å
534D74.8Confident65.5Low44 Ų4482.9 Ų82.924%0.23543%0.433CS..Hα-helixtrans-57.7-38.6174.217455.6000112.1A530 R538A530-D534 WeakPolarHBondContact O-CB 3.37Å; A530-D534 PolarHBondContact O-N 3.43Å; D534-R538 VanDerWaalsContact CG-CZ 3.47Å; D534-R538 VanDerWaalsContact CG-NE 3.26Å; D534-R538 VanDerWaalsContact O-CB 3.27Å; D534-R538 WeakPolarHBondContact O-CB 3.2Å; D534-R538 WeakPolarHBondContact O-CG 3.2Å; D534-R538 PolarHBondContact O-N 2.73Å; D534-R538 IonicContact OD1-CZ 2.69Å; D534-R538 IonicContact OD1-NE 3.77Å; D534-R538 PolarHBondContact OD1-NE 2.99Å; D534-R538 IonicContact OD1-NH2 3.17Å; D534-R538 PolarHBondContact OD1-NH2 2.82Å; D534-R538 IonicContact OD2-CZ 2.65Å; D534-R538 IonicContact OD2-NE 2.86Å; D534-R538 PolarHBondContact OD2-NE 2.82Å; D534-R538 IonicContact OD2-NH1 2.71Å; D534-R538 IonicContact OD2-NH2 3Å; D534-R538 PolarHBondContact OD2-NH2 3.07Å
535H71.4Confident64.8Low114 Ų11485.6 Ų85.653%0.52844%0.444SS..Hα-helixtrans-72.1-34.1175-173.4-113.2000113.2M531 M532 E533 N539M531-H535 WeakPolarHBondContact O-CB 3.32Å; M531-H535 PolarHBondContact O-N 3.33Å; M532-H535 PolarHBondContact O-N 2.96Å; E533-H535 VanDerWaalsContact C-N 3.29Å; E533-H535 PolarHBondContact O-N 2.85Å; H535-N539 PolarHBondContact CD2-ND2 2.9Å; H535-N539 VanDerWaalsContact CD2-ND2 3.26Å; H535-N539 PolarHBondContact CE1-ND2 3.48Å; H535-N539 PolarHBondContact ND1-ND2 2.95Å; H535-N539 PolarHBondContact NE2-ND2 2.85Å; H535-N539 WeakPolarHBondContact O-CB 3.38Å; H535-N539 VanDerWaalsContact O-CG 3.31Å; H535-N539 PolarHBondContact O-N 2.8Å; H535-N539 VanDerWaalsContact O-N 3.09Å; H535-N539 PolarHBondContact O-ND2 3.34Å
536L68.1Low64.2Low59 Ų5990 Ų9031%0.30946%0.458SS..Hα-helixtrans-69.9-43.8173.6-73.6165.5000110.8M532 E533 G540 L541 D542M532-L536 HydrophobicContact CG-CD1 4.17Å; M532-L536 WeakPolarHBondContact O-CB 3.35Å; M532-L536 WeakPolarHBondContact O-CG 3.48Å; M532-L536 PolarHBondContact O-N 3.09Å; E533-L536 PolarHBondContact O-N 2.83Å; E533-L536 VanDerWaalsContact O-N 3.12Å; L536-G540 CarbonylContact O-C 3.59Å; L536-G540 WeakPolarHBondContact O-CA 3.46Å; L536-G540 PolarHBondContact O-N 2.94Å; L536-L541 HydrophobicContact CD2-CB 3.86Å; L536-L541 PolarHBondContact O-N 2.84Å; L536-D542 PolarHBondContact O-N 2.85Å
537V69Low63.2Low101 Ų10194.7 Ų94.761%0.61247%0.471SS*.Hα-helixtrans-61.5-49.4174.3170.10000110.9E533 N539 G540E533-V537 WeakPolarHBondContact O-CB 3.33Å; E533-V537 WeakPolarHBondContact O-CG2 3.29Å; E533-V537 PolarHBondContact O-N 3.45Å; V537-N539 PolarHBondContact O-N 2.7Å; V537-G540 PolarHBondContact O-N 2.88Å
538R68.6Low62.3Low184 Ų18499.3 Ų99.369%0.69449%0.485SS*.Hα-helixtrans-63.1-38.1179.6-75.5174.7-164.3-167.79114D534 G540D534-R538 VanDerWaalsContact CG-CZ 3.47Å; D534-R538 VanDerWaalsContact CG-NE 3.26Å; D534-R538 VanDerWaalsContact O-CB 3.27Å; D534-R538 WeakPolarHBondContact O-CB 3.2Å; D534-R538 WeakPolarHBondContact O-CG 3.2Å; D534-R538 PolarHBondContact O-N 2.73Å; D534-R538 IonicContact OD1-CZ 2.69Å; D534-R538 IonicContact OD1-NE 3.77Å; D534-R538 PolarHBondContact OD1-NE 2.99Å; D534-R538 IonicContact OD1-NH2 3.17Å; D534-R538 PolarHBondContact OD1-NH2 2.82Å; D534-R538 IonicContact OD2-CZ 2.65Å; D534-R538 IonicContact OD2-NE 2.86Å; D534-R538 PolarHBondContact OD2-NE 2.82Å; D534-R538 IonicContact OD2-NH1 2.71Å; D534-R538 IonicContact OD2-NH2 3Å; D534-R538 PolarHBondContact OD2-NH2 3.07Å; R538-G540 PolarHBondContact O-N 3.25Å
539N65.7Low61.4Low81 Ų81101.6 Ų101.643%0.43350%0.497SS..THydrogen-bonded Turntrans-840.8175.7-65.7-43.6000112.6H535 V537 L541H535-N539 PolarHBondContact CD2-ND2 2.9Å; H535-N539 VanDerWaalsContact CD2-ND2 3.26Å; H535-N539 PolarHBondContact CE1-ND2 3.48Å; H535-N539 PolarHBondContact ND1-ND2 2.95Å; H535-N539 PolarHBondContact NE2-ND2 2.85Å; H535-N539 WeakPolarHBondContact O-CB 3.38Å; H535-N539 VanDerWaalsContact O-CG 3.31Å; H535-N539 PolarHBondContact O-N 2.8Å; H535-N539 VanDerWaalsContact O-N 3.09Å; H535-N539 PolarHBondContact O-ND2 3.34Å; V537-N539 PolarHBondContact O-N 2.7Å; N539-L541 HydrophobicContact CB-CB 4.27Å; N539-L541 HydrophobicContact CB-CD1 3.93Å; N539-L541 HydrophobicContact CB-CG 4.09Å; N539-L541 PolarHBondContact O-N 2.77Å; N539-L541 VanDerWaalsContact O-N 3.08Å
540G54.3Low60.6Low36 Ų36105.2 Ų105.237%0.37152%0.517SS..THydrogen-bonded Turntrans58.316-172.100000114L536 V537 R538 D542 R546L536-G540 CarbonylContact O-C 3.59Å; L536-G540 WeakPolarHBondContact O-CA 3.46Å; L536-G540 PolarHBondContact O-N 2.94Å; V537-G540 PolarHBondContact O-N 2.88Å; R538-G540 PolarHBondContact O-N 3.25Å; G540-D542 VanDerWaalsContact C-N 3.27Å; G540-D542 PolarHBondContact O-N 2.7Å; G540-R546 PolarHBondContact O-NE 3.33Å; G540-R546 PolarHBondContact O-NH2 2.87Å
541L58.7Low59.5Low80 Ų80110.5 Ų110.542%0.41954%0.542SS..  trans-85.36.4-174.5-83.2173.6000113.5L536 N539 R543L536-L541 HydrophobicContact CD2-CB 3.86Å; L536-L541 PolarHBondContact O-N 2.84Å; N539-L541 HydrophobicContact CB-CB 4.27Å; N539-L541 HydrophobicContact CB-CD1 3.93Å; N539-L541 HydrophobicContact CB-CG 4.09Å; N539-L541 PolarHBondContact O-N 2.77Å; N539-L541 VanDerWaalsContact O-N 3.08Å; L541-R543 PolarHBondContact O-N 3.48Å
542D55.4Low58.4Low57 Ų57114.3 Ų114.331%0.30555%0.549SS..  trans-54.1113.4166.1-179.910.8000110.1L536 G540 A544 R546L536-D542 PolarHBondContact O-N 2.85Å; G540-D542 VanDerWaalsContact C-N 3.27Å; G540-D542 PolarHBondContact O-N 2.7Å; D542-A544 VanDerWaalsContact OD1-CB 3.31Å; D542-A544 WeakPolarHBondContact OD1-CB 3.38Å; D542-A544 PolarHBondContact OD1-N 2.84Å; D542-R546 WeakPolarHBondContact O-CG 3.35Å
543R52.8Low57.8Low184 Ų184110.7 Ų110.769%0.69453%0.534SS*.THydrogen-bonded Turntrans-87.2-10.1179.8-72.6-172173.7108-5.6112.7L541 Y547L541-R543 PolarHBondContact O-N 3.48Å; R543-Y547 WeakPolarHBondContact O-CD2 3.31Å
544A52.8Low57.5Low70 Ų70111.5 Ų111.558%0.57955%0.546SS*.THydrogen-bonded Turntrans-68.5-5517800000110.7D542 R546D542-A544 VanDerWaalsContact OD1-CB 3.31Å; D542-A544 WeakPolarHBondContact OD1-CB 3.38Å; D542-A544 PolarHBondContact OD1-N 2.84Å; A544-R546 PolarHBondContact O-N 3.39Å
545N47.3Very low57.9Low97 Ų97113.9 Ų113.952%0.51956%0.559SS.*G310 helixtrans-70.5-31.5179.2-77.66.9000113.6Y547 H548 D549N545-Y547 PolarHBondContact O-N 3.13Å; N545-H548 PolarHBondContact O-N 3.09Å; N545-D549 PolarHBondContact O-N 2.63Å
546R46.2Very low58.7Low142 Ų142112.1 Ų112.154%0.53656%0.558SS.*G310 helixtrans-64.9-9.9-179.4-75.7-177.7-178.2-131.88.8115.4G540 D542 A544G540-R546 PolarHBondContact O-NE 3.33Å; G540-R546 PolarHBondContact O-NH2 2.87Å; D542-R546 WeakPolarHBondContact O-CG 3.35Å; A544-R546 PolarHBondContact O-N 3.39Å
547Y45.5Very low59.9Low198 Ų198109.6 Ų109.678%0.77655%0.545SS*.G310 helixtrans-102.2-3.1168.8-80-75.9000113.5R543 N545R543-Y547 WeakPolarHBondContact O-CD2 3.31Å; N545-Y547 PolarHBondContact O-N 3.13Å
548H51.7Low61.1Low141 Ų141108.9 Ų108.965%0.65354%0.538SS*.THydrogen-bonded Turntrans-109.2-24.5-172.3-135.2-53.3000114.3N545N545-H548 PolarHBondContact O-N 3.09Å
549D47.1Very low62.3Low117 Ų117101.7 Ų101.763%0.62651%0.511SS*.SBendtrans-93-28.5-177.5-78-53000115N545N545-D549 PolarHBondContact O-N 2.63Å
550D49.5Very low63.6Low145 Ų145102.4 Ų102.478%0.77552%0.515SS*.SBendtrans-91.8-7.2-166.3-84.1-35.4000115.7R552D550-R552 PolarHBondContact O-N 3.33Å
551I53.6Low65.4Low125 Ų125104.1 Ų104.164%0.64151%0.512SS*.  trans-99.473.9169.8-49.2-178.1000109.4P553I551-P553 WeakPolarHBondContact O-CD 3.35Å
552R54.4Low67.1Low210 Ų210104.7 Ų104.779%0.79252%0.52SS*.  trans-62.9128.6161.4-76.4-172.5173-136.2-3.1108.9D550 T554D550-R552 PolarHBondContact O-N 3.33Å; R552-T554 PolarHBondContact O-N 2.95Å
553P56.1Low69Low32 Ų32102.2 Ų102.221%0.20851%0.507CS..  trans-57114.3171-28.438.4000110.5I551 D586 A637 A638I551-P553 WeakPolarHBondContact O-CD 3.35Å; P553-D586 VanDerWaalsContact CB-OD2 3.29Å; P553-D586 WeakPolarHBondContact CB-OD2 3.21Å; P553-D586 VanDerWaalsContact CG-OD1 3.27Å; P553-D586 WeakPolarHBondContact CG-OD1 3.26Å; P553-D586 VanDerWaalsContact CG-OD2 3.32Å; P553-D586 WeakPolarHBondContact CG-OD2 3.4Å; P553-A637 HydrophobicContact CG-CB 4.02Å; P553-A638 HydrophobicContact CB-CB 4.41Å
554T63.9Low71Confident124 Ų12496.1 Ų96.176%0.76150%0.496SS*.  trans-82.9-21.7-177.660.80000112.6R552R552-T554 PolarHBondContact O-N 2.95Å
555N82.8Confident73.1Confident95 Ų9596.4 Ų96.451%0.50849%0.492SS..SBendtrans-123.3138.6-170.6-59.76.8000109.3N636N555-N636 PolarHBondContact O-ND2 3.46Å
556P89.3Confident75.3Confident77 Ų7793.9 Ų93.950%0.548%0.477SS..  trans-64.7161.2167.331.2-36000110.5
557P93Very high77.5Confident6 Ų690.9 Ų90.94%0.03947%0.474CS..  trans-64.6149.1179.527.9-34.8000111.5V581 E582 L589 A634 N636 G639 V641P557-V581 HydrophobicContact CB-CG1 4Å; P557-E582 CarbonylContact C-O 3.5Å; P557-E582 VanDerWaalsContact CA-O 3.26Å; P557-E582 WeakPolarHBondContact CA-O 3.44Å; P557-L589 HydrophobicContact CB-CD1 4.11Å; P557-A634 HydrophobicContact CB-CB 3.88Å; P557-A634 HydrophobicContact CG-CB 4.29Å; P557-A634 WeakPolarHBondContact CG-O 3.32Å; P557-N636 WeakPolarHBondContact CD-OD1 3.23Å; P557-G639 WeakPolarHBondContact CD-O 3.42Å; P557-V641 HydrophobicContact CB-CG1 3.84Å; P557-V641 HydrophobicContact CG-CB 4.26Å; P557-V641 HydrophobicContact CG-CG1 3.81Å; P557-V641 WeakPolarHBondContact O-CB 3.37Å; P557-V641 WeakPolarHBondContact O-CG1 3.4Å
558N93.4Very high79.5Confident86 Ų8684 Ų8446%0.4646%0.464SS..EExtended strand (participates in β ladder)trans-143.4134.2178.7-179.345.3000111.5V581 E582N558-V581 WeakPolarHBondContact O-CA 3.23Å; N558-E582 PolarHBondContact N-O 3.05Å; N558-E582 PolarHBondContact O-N 2.87Å
559F94.6Very high81.4Confident33 Ų3378.6 Ų78.615%0.14544%0.44CS..EExtended strand (participates in β ladder)trans-86.1119.5178.2-72.8-72000111.5T579 C580 V581 C632 A634 V641F559-T579 HydrophobicContact CD1-CG2 3.91Å; F559-T579 VanDerWaalsContact CD1-OG1 3.31Å; F559-T579 WeakPolarHBondContact CD1-OG1 3.27Å; F559-T579 HydrophobicContact CE1-CG2 3.71Å; F559-C580 WeakPolarHBondContact CA-O 3.29Å; F559-V581 HydrophobicContact CD1-CG2 3.7Å; F559-V581 HydrophobicContact CE1-CG2 3.5Å; F559-V581 HydrophobicContact CZ-CG2 4.43Å; F559-C632 VanDerWaalsContact CE1-SG 3.55Å; F559-C632 WeakPolarHBondContact CZ-SG 2.96Å; F559-A634 HydrophobicContact CE1-CB 4.37Å; F559-A634 HydrophobicContact CE2-CB 4.26Å; F559-A634 HydrophobicContact CZ-CB 3.8Å; F559-V641 HydrophobicContact CD2-CG1 3.7Å; F559-V641 HydrophobicContact CD2-CG2 4.35Å; F559-V641 HydrophobicContact CE2-CG1 3.61Å
560L92.9Very high83.4Confident96 Ų9680.6 Ų80.650%0.50344%0.438SS..SBendtrans-82.9-27.6175.8-60.7-175000113.4C580 E582L560-C580 HydrophobicContact CB-CB 4.24Å; L560-C580 PolarHBondContact N-O 2.79Å; L560-E582 HydrophobicContact CD1-CG 3.82Å; L560-E582 HydrophobicContact CD2-CG 4.29Å; L560-E582 HydrophobicContact CG-CG 4.11Å
561K92.5Very high85.2Confident72 Ų7273.8 Ų73.831%0.31340%0.402SS..SBendtrans-125.2115.8-173.1175.5172.1177.1168.20109.7E578 T579 C580K561-E578 IonicContact NZ-OE1 3.64Å; K561-E578 PolarHBondContact NZ-OE1 3.32Å; K561-E578 IonicContact NZ-OE2 2.72Å; K561-E578 PolarHBondContact NZ-OE2 3.02Å; K561-T579 WeakPolarHBondContact O-CB 3.46Å; K561-T579 PolarHBondContact O-OG1 2.88Å; K561-C580 HydrophobicContact CB-CB 4.46Å
562P94.3Very high86.8Confident91 Ų9171.6 Ų71.659%0.59140%0.398SS*.  trans-66.9145.3173.728.9-33.8000110.5N644P562-N644 WeakPolarHBondContact CA-OD1 3.3Å; P562-N644 WeakPolarHBondContact CB-OD1 3.44Å
563L95.9Very high88.5Confident6 Ų662.9 Ų62.93%0.03137%0.37CS..  trans-62148.4171.1-62179.1000110.2F577 T579 W593 S643 N644 V646L563-F577 HydrophobicContact CD2-CB 4.39Å; L563-T579 HydrophobicContact CD2-CG2 4.09Å; L563-W593 HydrophobicContact CD1-CH2 4.41Å; L563-W593 HydrophobicContact CD1-CZ3 3.9Å; L563-W593 HydrophobicContact CD2-CH2 3.72Å; L563-W593 HydrophobicContact CD2-CZ3 4.01Å; L563-S643 WeakPolarHBondContact CD1-OG 3.34Å; L563-N644 PolarHBondContact N-OD1 3.26Å; L563-N644 PolarHBondContact O-ND2 2.81Å; L563-V646 HydrophobicContact CB-CB 4.44Å; L563-V646 HydrophobicContact CB-CG1 3.69Å; L563-V646 HydrophobicContact CB-CG2 3.84Å; L563-V646 HydrophobicContact CD1-CG2 4.08Å; L563-V646 VanDerWaalsContact O-CG1 3.28Å; L563-V646 WeakPolarHBondContact O-CG1 3.39Å
564A95Very high90.3Very high56 Ų5665.7 Ų65.746%0.46339%0.388SS..  trans-104.5136.6175.100000111.4Q566A564-Q566 PolarHBondContact O-NE2 2.82Å
565P95.1Very high91.8Very high75 Ų7560 Ų6049%0.48735%0.354SS..  trans-69.8144.8178.130.7-35.6000112.1V567 V646 E647P565-V567 HydrophobicContact CB-CG1 4.33Å; P565-V646 HydrophobicContact CB-CB 4.29Å; P565-E647 WeakPolarHBondContact CA-O 3.44Å
566Q94.2Very high92.4Very high45 Ų4558.8 Ų58.821%0.2135%0.345CS..EExtended strand (participates in β ladder)trans-113.381.1-174.3-62.8-62.7-53.900109.2A564 L569 A575 H576 F577 E647 L648 Q649A564-Q566 PolarHBondContact O-NE2 2.82Å; Q566-L569 HydrophobicContact CB-CD1 4.13Å; Q566-A575 HydrophobicContact CB-CB 4.33Å; Q566-A575 HydrophobicContact CG-CB 4.33Å; Q566-H576 VanDerWaalsContact CD-O 3.26Å; Q566-H576 PolarHBondContact NE2-O 2.88Å; Q566-H576 VanDerWaalsContact NE2-O 3.15Å; Q566-F577 HydrophobicContact CB-CE1 4.19Å; Q566-F577 HydrophobicContact CB-CZ 4.12Å; Q566-F577 HydrophobicContact CG-CD1 3.99Å; Q566-F577 HydrophobicContact CG-CE1 3.46Å; Q566-F577 VanDerWaalsContact CG-CE1 3.46Å; Q566-F577 HydrophobicContact CG-CE2 4.38Å; Q566-F577 HydrophobicContact CG-CZ 3.7Å; Q566-E647 PolarHBondContact N-O 3.3Å; Q566-L648 HydrophobicContact CB-CG 4.43Å; Q566-L648 WeakPolarHBondContact O-CA 3.48Å; Q566-Q649 PolarHBondContact O-N 2.84Å
567V92.7Very high92.8Very high79 Ų7955.1 Ų55.148%0.47932%0.321SS..EExtended strand (participates in β ladder)trans-113.9146.8-169-63.30000113.5P565 L569 Q649P565-V567 HydrophobicContact CB-CG1 4.33Å; V567-L569 VanDerWaalsContact C-N 3.34Å; V567-Q649 HydrophobicContact CB-CB 4.19Å; V567-Q649 HydrophobicContact CB-CG 4.48Å; V567-Q649 HydrophobicContact CG1-CB 4.11Å; V567-Q649 HydrophobicContact CG1-CG 3.95Å
568G88Confident92.9Very high54 Ų5458 Ų5856%0.55733%0.334SS*.EExtended strand (participates in β ladder)trans74.423.6-178.200000113.8Q649G568-Q649 PolarHBondContact N-O 3.26Å; G568-Q649 VanDerWaalsContact N-O 3.07Å
569L90.3Very high93Very high27 Ų2753.9 Ų53.914%0.14131%0.312CS..EExtended strand (participates in β ladder)trans-66.1151.2171.2-61.9173.8000109.9Q566 V567 A573 A575 L648 Q649 C650 N651Q566-L569 HydrophobicContact CB-CD1 4.13Å; V567-L569 VanDerWaalsContact C-N 3.34Å; L569-A573 HydrophobicContact CB-CB 4.46Å; L569-A573 HydrophobicContact CD2-CB 4.43Å; L569-A575 HydrophobicContact CD1-CB 3.72Å; L569-L648 HydrophobicContact CD1-CD2 4.33Å; L569-L648 HydrophobicContact CD1-CG 4.21Å; L569-Q649 PolarHBondContact N-O 2.99Å; L569-C650 HydrophobicContact CB-CB 4.24Å; L569-C650 WeakPolarHBondContact O-CA 3.35Å; L569-N651 PolarHBondContact O-N 2.83Å; L569-N651 PolarHBondContact O-OD1 3.17Å
570R90.2Very high93Very high158 Ų15854.1 Ų54.160%0.59632%0.318SS*.EExtended strand (participates in β ladder)trans-94.2154.9166.2-72.2-179.5167.8-83-8109.7S572 A573 C650 D653R570-S572 PolarHBondContact O-N 3.22Å; R570-A573 WeakPolarHBondContact O-CB 3.48Å; R570-A573 PolarHBondContact O-N 3.46Å; R570-C650 VanDerWaalsContact C-SG 3.52Å; R570-D653 IonicContact NH1-OD1 2.87Å; R570-D653 PolarHBondContact NH1-OD1 3.07Å; R570-D653 IonicContact NH1-OD2 3.71Å
571E86.5Confident93Very high3 Ų349.6 Ų49.61%0.01429%0.294CS..THydrogen-bonded Turntrans-49.8139.5167.7-165.9170.416900111.3A573 Y623 C650 N651 A652 D653 I656 T658E571-A573 PolarHBondContact O-N 3.31Å; E571-Y623 HydrophobicContact CG-CD1 3.89Å; E571-Y623 HydrophobicContact CG-CE1 4.39Å; E571-C650 PolarHBondContact N-SG 2.76Å; E571-N651 PolarHBondContact N-O 3.3Å; E571-A652 WeakPolarHBondContact OE2-CA 3.42Å; E571-D653 PolarHBondContact OE2-N 2.86Å; E571-I656 HydrophobicContact CG-CD1 4.23Å; E571-I656 WeakPolarHBondContact OE1-CB 3.34Å; E571-I656 VanDerWaalsContact OE1-CG2 3.28Å; E571-I656 WeakPolarHBondContact OE1-CG2 3.28Å; E571-T658 WeakPolarHBondContact OE1-CG2 3.47Å
572S87Confident92.9Very high79 Ų7950.7 Ų50.755%0.55230%0.3SS*.THydrogen-bonded Turntrans65.9-1.7-168.777.40000117.8R570 C622R570-S572 PolarHBondContact O-N 3.22Å; S572-C622 PolarHBondContact N-O 3.18Å
573A90.9Very high92.6Very high26 Ų2648 Ų4822%0.21528%0.283CS..  trans-70.2147.2171.600000111.5L569 R570 E571 C622L569-A573 HydrophobicContact CB-CB 4.46Å; L569-A573 HydrophobicContact CD2-CB 4.43Å; R570-A573 WeakPolarHBondContact O-CB 3.48Å; R570-A573 PolarHBondContact O-N 3.46Å; E571-A573 PolarHBondContact O-N 3.31Å; A573-C622 WeakPolarHBondContact O-CB 3.48Å; A573-C622 PolarHBondContact O-N 3.28Å; A573-C622 PolarHBondContact O-SG 2.95Å
574P93.9Very high92.1Very high91 Ų9150.7 Ų50.759%0.59130%0.299SS*.  trans-76152.1172.332.2-34.9000111.5I619P574-I619 CarbonylContact C-O 3.54Å; P574-I619 WeakPolarHBondContact CA-O 3.36Å
575A95.3Very high91Very high4 Ų454.5 Ų54.53%0.03331%0.312CS..EExtended strand (participates in β ladder)trans-123.4147.2168.400000110.4Q566 L569 I619 C622 L648Q566-A575 HydrophobicContact CB-CB 4.33Å; Q566-A575 HydrophobicContact CG-CB 4.33Å; L569-A575 HydrophobicContact CD1-CB 3.72Å; A575-I619 HydrophobicContact CB-CB 4.19Å; A575-I619 HydrophobicContact CB-CD1 4.28Å; A575-I619 HydrophobicContact CB-CG1 4.46Å; A575-I619 PolarHBondContact N-O 2.8Å; A575-I619 PolarHBondContact O-N 2.72Å; A575-C622 VanDerWaalsContact CB-SG 3.55Å; A575-L648 HydrophobicContact CB-CD1 3.86Å
576H95.6Very high90.4Very high70 Ų7051.7 Ų51.732%0.32429%0.293SS..EExtended strand (participates in β ladder)trans-133.7128.2-177.3179.275.1000110.6Q566 E578 D618Q566-H576 VanDerWaalsContact CD-O 3.26Å; Q566-H576 PolarHBondContact NE2-O 2.88Å; Q566-H576 VanDerWaalsContact NE2-O 3.15Å; H576-E578 WeakPolarHBondContact NE2-CG 3.32Å; H576-D618 IonicContact CE1-OD1 3.85Å; H576-D618 IonicContact CG-OD1 2.82Å; H576-D618 IonicContact ND1-OD1 3.19Å; H576-D618 PolarHBondContact ND1-OD1 2.99Å
577F96.8Very high89.8Confident1 Ų154.5 Ų54.50%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-120.6134.2172.5-60.7-77.2000109.7L563 Q566 W593 M616 L617 I619 Y630 V646 L648L563-F577 HydrophobicContact CD2-CB 4.39Å; Q566-F577 HydrophobicContact CB-CE1 4.19Å; Q566-F577 HydrophobicContact CB-CZ 4.12Å; Q566-F577 HydrophobicContact CG-CD1 3.99Å; Q566-F577 HydrophobicContact CG-CE1 3.46Å; Q566-F577 VanDerWaalsContact CG-CE1 3.46Å; Q566-F577 HydrophobicContact CG-CE2 4.38Å; Q566-F577 HydrophobicContact CG-CZ 3.7Å; F577-W593 HydrophobicContact CB-CH2 3.73Å; F577-W593 HydrophobicContact CB-CZ3 3.73Å; F577-W593 HydrophobicContact CG-CZ3 4.39Å; F577-M616 CarbonylContact O-C 3.57Å; F577-M616 WeakPolarHBondContact O-CA 3.21Å; F577-M616 WeakPolarHBondContact O-CB 3.44Å; F577-L617 HydrophobicContact CB-CB 4.36Å; F577-L617 HydrophobicContact CD2-CD2 4.18Å; F577-L617 HydrophobicContact CD2-CG 4.42Å; F577-L617 PolarHBondContact N-O 3.05Å; F577-L617 PolarHBondContact O-N 2.8Å; F577-I619 HydrophobicContact CE2-CD1 4.09Å; F577-Y630 HydrophobicContact CE2-CD1 4.17Å; F577-Y630 HydrophobicContact CE2-CD2 4.35Å; F577-Y630 HydrophobicContact CE2-CG 4.06Å; F577-Y630 HydrophobicContact CZ-CD2 4.1Å; F577-Y630 HydrophobicContact CZ-CG 4.02Å; F577-V646 HydrophobicContact CD1-CG2 3.91Å; F577-V646 HydrophobicContact CE1-CG2 3.6Å; F577-L648 HydrophobicContact CE2-CD1 4.06Å; F577-L648 HydrophobicContact CZ-CB 4.28Å; F577-L648 HydrophobicContact CZ-CD1 4.04Å
578E95.8Very high89.5Confident65 Ų6552.8 Ų52.830%0.30431%0.306SS..EExtended strand (participates in β ladder)trans-144.4141.2-177.848.1152.8-17500112.4K561 H576 F614 A615K561-E578 IonicContact NZ-OE1 3.64Å; K561-E578 PolarHBondContact NZ-OE1 3.32Å; K561-E578 IonicContact NZ-OE2 2.72Å; K561-E578 PolarHBondContact NZ-OE2 3.02Å; H576-E578 WeakPolarHBondContact NE2-CG 3.32Å; E578-F614 HydrophobicContact CB-CE2 4.25Å; E578-F614 HydrophobicContact CB-CZ 4.08Å; E578-A615 WeakPolarHBondContact CA-O 3.47Å
579T95.3Very high89.5Confident0 Ų051.1 Ų51.10%029%0.285CS..EExtended strand (participates in β ladder)trans-150.1168.4177.3-1740000111.1F559 K561 L563 A615F559-T579 HydrophobicContact CD1-CG2 3.91Å; F559-T579 VanDerWaalsContact CD1-OG1 3.31Å; F559-T579 WeakPolarHBondContact CD1-OG1 3.27Å; F559-T579 HydrophobicContact CE1-CG2 3.71Å; K561-T579 WeakPolarHBondContact O-CB 3.46Å; K561-T579 PolarHBondContact O-OG1 2.88Å; L563-T579 HydrophobicContact CD2-CG2 4.09Å; T579-A615 HydrophobicContact CG2-CB 3.95Å; T579-A615 PolarHBondContact N-O 2.86Å; T579-A615 PolarHBondContact O-N 2.87Å
580C94.2Very high89.7Confident39 Ų3953.1 Ų53.126%0.26430%0.298SS..EExtended strand (participates in β ladder)trans-126.6136175.6-55.90000109.1F559 L560 K561 G613F559-C580 WeakPolarHBondContact CA-O 3.29Å; L560-C580 HydrophobicContact CB-CB 4.24Å; L560-C580 PolarHBondContact N-O 2.79Å; K561-C580 HydrophobicContact CB-CB 4.46Å; C580-G613 CarbonylContact C-O 3.46Å; C580-G613 WeakPolarHBondContact CA-O 3.46Å
581V93.6Very high89.9Confident1 Ų146.9 Ų46.91%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-122.1131.6-176.8-166.20000109.9P557 N558 F559 L589 V591 G613 A615 A634P557-V581 HydrophobicContact CB-CG1 4Å; N558-V581 WeakPolarHBondContact O-CA 3.23Å; F559-V581 HydrophobicContact CD1-CG2 3.7Å; F559-V581 HydrophobicContact CE1-CG2 3.5Å; F559-V581 HydrophobicContact CZ-CG2 4.43Å; V581-L589 HydrophobicContact CB-CD2 4.36Å; V581-L589 HydrophobicContact CG1-CD1 4.03Å; V581-L589 HydrophobicContact CG1-CD2 4.36Å; V581-V591 HydrophobicContact CG2-CG2 4.24Å; V581-G613 PolarHBondContact N-O 3.45Å; V581-G613 WeakPolarHBondContact O-CA 3.49Å; V581-A615 HydrophobicContact CG2-CB 4.48Å; V581-A634 HydrophobicContact CG1-CB 3.83Å; V581-A634 HydrophobicContact CG2-CB 4.34Å
582E90.2Very high90.3Very high94 Ų9450.3 Ų50.344%0.43929%0.294SS..EExtended strand (participates in β ladder)trans-104.3151.1164.5-75.2-176.4158.900110.1P557 N558 L560 T584P557-E582 CarbonylContact C-O 3.5Å; P557-E582 VanDerWaalsContact CA-O 3.26Å; P557-E582 WeakPolarHBondContact CA-O 3.44Å; N558-E582 PolarHBondContact N-O 3.05Å; N558-E582 PolarHBondContact O-N 2.87Å; L560-E582 HydrophobicContact CD1-CG 3.82Å; L560-E582 HydrophobicContact CD2-CG 4.29Å; L560-E582 HydrophobicContact CG-CG 4.11Å; E582-T584 HydrophobicContact CG-CG2 4.33Å
583P88.6Confident90.7Very high36 Ų3647.3 Ų47.323%0.23427%0.27CS..  cis-75.9133.5-1.629.1-34.2000113.8D586P583-D586 HydrophobicContact CB-CB 4.32Å; P583-D586 HydrophobicContact CG-CB 3.81Å
584T84.6Confident91Very high61 Ų6148.2 Ų48.237%0.37427%0.268SS..THydrogen-bonded Turntrans-76.2-23-174.752.20000115.1E582 R612E582-T584 HydrophobicContact CG-CG2 4.33Å; T584-R612 WeakPolarHBondContact CB-O 3.32Å; T584-R612 WeakPolarHBondContact CG2-O 3.31Å
585N73.1Confident91.1Very high137 Ų13745.9 Ų45.973%0.73325%0.249SC*.THydrogen-bonded Turntrans-101.827.3-176.5-68.1-19.6000112.6
586D82.1Confident91Very high16 Ų1650 Ų509%0.08627%0.27CS..  trans-101.2112.9-174.9-179.1-14.3000111P553 P583 S588 L589 N636P553-D586 VanDerWaalsContact CB-OD2 3.29Å; P553-D586 WeakPolarHBondContact CB-OD2 3.21Å; P553-D586 VanDerWaalsContact CG-OD1 3.27Å; P553-D586 WeakPolarHBondContact CG-OD1 3.26Å; P553-D586 VanDerWaalsContact CG-OD2 3.32Å; P553-D586 WeakPolarHBondContact CG-OD2 3.4Å; P583-D586 HydrophobicContact CB-CB 4.32Å; P583-D586 HydrophobicContact CG-CB 3.81Å; D586-S588 PolarHBondContact O-N 3.24Å; D586-S588 WeakPolarHBondContact OD1-CA 3.37Å; D586-S588 WeakPolarHBondContact OD1-CB 3.45Å; D586-S588 PolarHBondContact OD1-N 2.84Å; D586-S588 PolarHBondContact OD1-OG 3.06Å; D586-L589 HydrophobicContact CB-CB 4.14Å; D586-L589 WeakPolarHBondContact O-CB 3.4Å; D586-L589 PolarHBondContact O-N 2.86Å; D586-N636 VanDerWaalsContact OD2-CB 3.23Å; D586-N636 WeakPolarHBondContact OD2-CB 3.37Å; D586-N636 PolarHBondContact OD2-ND2 3.49Å
587P82.1Confident90.8Very high103 Ų10349.1 Ų49.167%0.66928%0.28SS*.THydrogen-bonded Turntrans-72.4-5.6-178.931.7-36.2000113.7
588S85.1Confident90.5Very high43 Ų4356.5 Ų56.530%0.30131%0.312SS..THydrogen-bonded Turntrans-98.8-1.2173.674.20000113.7D586 T590 A637D586-S588 PolarHBondContact O-N 3.24Å; D586-S588 WeakPolarHBondContact OD1-CA 3.37Å; D586-S588 WeakPolarHBondContact OD1-CB 3.45Å; D586-S588 PolarHBondContact OD1-N 2.84Å; D586-S588 PolarHBondContact OD1-OG 3.06Å; S588-T590 PolarHBondContact O-N 3.05Å; S588-A637 PolarHBondContact OG-N 3.47Å
589L89.4Confident90.4Very high20 Ų2057.9 Ų57.911%0.10533%0.327CS..  trans-71.5121.7-179-176.468.6000111.6P557 V581 D586 L610 A634 R635 N636P557-L589 HydrophobicContact CB-CD1 4.11Å; V581-L589 HydrophobicContact CB-CD2 4.36Å; V581-L589 HydrophobicContact CG1-CD1 4.03Å; V581-L589 HydrophobicContact CG1-CD2 4.36Å; D586-L589 HydrophobicContact CB-CB 4.14Å; D586-L589 WeakPolarHBondContact O-CB 3.4Å; D586-L589 PolarHBondContact O-N 2.86Å; L589-L610 HydrophobicContact CD2-CD1 4.5Å; L589-L610 WeakPolarHBondContact O-CD2 3.17Å; L589-A634 HydrophobicContact CD1-CB 4.46Å; L589-R635 CarbonylContact C-O 3.59Å; L589-R635 VanDerWaalsContact CA-O 3.32Å; L589-R635 WeakPolarHBondContact CA-O 3.27Å; L589-N636 HydrophobicContact CD1-CB 4.45Å
590T92.7Very high90.3Very high68 Ų6858.8 Ų58.842%0.41733%0.333SS..EExtended strand (participates in β ladder)trans-125.4156.8169.768.20000111.1S588 A634 R635S588-T590 PolarHBondContact O-N 3.05Å; T590-A634 CarbonylContact O-C 3.57Å; T590-A634 VanDerWaalsContact O-CA 3.3Å; T590-A634 WeakPolarHBondContact O-CA 3.2Å; T590-R635 PolarHBondContact N-O 3.19Å; T590-R635 PolarHBondContact O-N 2.99Å
591V94.5Very high90.1Very high27 Ų2761.8 Ų61.816%0.16435%0.354CS..EExtended strand (participates in β ladder)trans-134124.9175.9179.40000109.8V581 L610 A615 C632 V633 A634V581-V591 HydrophobicContact CG2-CG2 4.24Å; V591-L610 HydrophobicContact CB-CD2 4.35Å; V591-L610 HydrophobicContact CG2-CD1 3.89Å; V591-L610 HydrophobicContact CG2-CD2 4.03Å; V591-A615 HydrophobicContact CB-CB 4.41Å; V591-A615 HydrophobicContact CG1-CB 4.19Å; V591-A615 HydrophobicContact CG2-CB 4.12Å; V591-C632 HydrophobicContact CG1-CB 3.83Å; V591-V633 WeakPolarHBondContact CA-O 3.39Å; V591-A634 HydrophobicContact CG2-CB 4.02Å
592E95.2Very high89.9Confident75 Ų7566.7 Ų66.735%0.3538%0.378SS..EExtended strand (participates in β ladder)trans-111.7135.7178.8-68.1168173.100110Y594 C632 V633 R635E592-Y594 HydrophobicContact CB-CE2 3.86Å; E592-Y594 PolarHBondContact OE2-OH 3.2Å; E592-C632 CarbonylContact O-C 3.56Å; E592-C632 WeakPolarHBondContact O-CA 3.12Å; E592-C632 WeakPolarHBondContact O-CB 3.38Å; E592-V633 PolarHBondContact N-O 3.35Å; E592-V633 PolarHBondContact O-N 2.61Å; E592-R635 VanDerWaalsContact CD-NE 3.27Å; E592-R635 IonicContact OE1-NE 2.73Å; E592-R635 PolarHBondContact OE1-NE 3.06Å; E592-R635 IonicContact OE2-CZ 2.7Å; E592-R635 IonicContact OE2-NE 3.21Å; E592-R635 PolarHBondContact OE2-NE 3.26Å; E592-R635 IonicContact OE2-NH2 2.77Å; E592-R635 PolarHBondContact OE2-NH2 3.32Å
593W96Very high89.6Confident16 Ų1664.5 Ų64.56%0.06138%0.381CS..EExtended strand (participates in β ladder)trans-100.8141.7179.2-69.688.8000111.7L563 F577 P599 V600 M616 L617 C632L563-W593 HydrophobicContact CD1-CH2 4.41Å; L563-W593 HydrophobicContact CD1-CZ3 3.9Å; L563-W593 HydrophobicContact CD2-CH2 3.72Å; L563-W593 HydrophobicContact CD2-CZ3 4.01Å; F577-W593 HydrophobicContact CB-CH2 3.73Å; F577-W593 HydrophobicContact CB-CZ3 3.73Å; F577-W593 HydrophobicContact CG-CZ3 4.39Å; W593-P599 WeakPolarHBondContact O-CA 3.44Å; W593-V600 HydrophobicContact CB-CB 4.15Å; W593-V600 HydrophobicContact CB-CG2 4.02Å; W593-V600 PolarHBondContact O-N 3.42Å; W593-M616 VanDerWaalsContact CZ2-C 3.42Å; W593-M616 PolarHBondContact NE1-O 3.03Å; W593-L617 HydrophobicContact CB-CD2 4.18Å; W593-L617 HydrophobicContact CD2-CB 3.58Å; W593-L617 HydrophobicContact CD2-CD2 3.86Å; W593-L617 HydrophobicContact CD2-CG 4.28Å; W593-L617 HydrophobicContact CE3-CB 3.78Å; W593-L617 HydrophobicContact CE3-CD2 3.67Å; W593-L617 HydrophobicContact CE3-CG 4.38Å; W593-L617 HydrophobicContact CG-CB 4.15Å; W593-L617 HydrophobicContact CG-CD2 4.09Å; W593-L617 HydrophobicContact CH2-CB 3.95Å; W593-L617 HydrophobicContact CZ2-CB 3.77Å; W593-L617 HydrophobicContact CZ3-CB 3.96Å; W593-L617 HydrophobicContact CZ3-CD2 4.33Å; W593-C632 HydrophobicContact CD2-CB 3.77Å; W593-C632 HydrophobicContact CE3-CB 3.79Å; W593-C632 HydrophobicContact CG-CB 4.28Å; W593-C632 HydrophobicContact CH2-CB 4.39Å; W593-C632 HydrophobicContact CZ2-CB 4.35Å; W593-C632 HydrophobicContact CZ3-CB 4.12Å
594Y97.1Very high89.4Confident45 Ų4567.7 Ų67.718%0.17640%0.403CS..EExtended strand (participates in β ladder)trans-130.3145.1-177.8-69.9-98.5000111.4E592 K598 P599 Y630 F631 V633 R635E592-Y594 HydrophobicContact CB-CE2 3.86Å; E592-Y594 PolarHBondContact OE2-OH 3.2Å; Y594-K598 CarbonylContact C-O 3.56Å; Y594-K598 WeakPolarHBondContact CA-O 3.3Å; Y594-P599 HydrophobicContact CE1-CB 4.4Å; Y594-Y630 WeakPolarHBondContact O-CA 3.36Å; Y594-F631 VanDerWaalsContact CB-CE2 3.5Å; Y594-F631 HydrophobicContact CD1-CE2 4.31Å; Y594-F631 HydrophobicContact CD1-CZ 4.14Å; Y594-F631 HydrophobicContact CD2-CD2 4.14Å; Y594-F631 AromaticContact CD2-CE2 3.63Å; Y594-F631 HydrophobicContact CD2-CE2 3.63Å; Y594-F631 HydrophobicContact CD2-CZ 4.24Å; Y594-F631 HydrophobicContact CE2-CE2 4.43Å; Y594-F631 HydrophobicContact CG-CD2 4.26Å; Y594-F631 HydrophobicContact CG-CE1 4.46Å; Y594-F631 AromaticContact CG-CE2 3.56Å; Y594-F631 HydrophobicContact CG-CE2 3.56Å; Y594-F631 AromaticContact CG-CZ 3.69Å; Y594-F631 HydrophobicContact CG-CZ 3.69Å; Y594-F631 PolarHBondContact N-O 2.81Å; Y594-F631 PolarHBondContact O-N 2.97Å; Y594-V633 HydrophobicContact CD2-CG2 3.93Å; Y594-V633 HydrophobicContact CE2-CB 4.02Å; Y594-V633 HydrophobicContact CE2-CG2 3.61Å; Y594-R635 PolarHBondContact OH-NH2 3.32Å
595K95.3Very high89.7Confident43 Ų4367 Ų6719%0.18739%0.393CS..EExtended strand (participates in β ladder)trans-127.5126.1170.7-172.4-153.9-172.3-123.40109G597 K598 V600 E625 D626 N627 A629 Y630K595-G597 PolarHBondContact O-N 2.72Å; K595-K598 PolarHBondContact N-O 2.89Å; K595-K598 PolarHBondContact O-N 2.83Å; K595-K598 VanDerWaalsContact O-O 3.12Å; K595-V600 HydrophobicContact CB-CG2 4.07Å; K595-E625 PolarHBondContact NZ-O 2.91Å; K595-D626 VanDerWaalsContact CE-C 3.48Å; K595-D626 WeakPolarHBondContact CE-O 3.25Å; K595-N627 VanDerWaalsContact CE-O 3.25Å; K595-N627 WeakPolarHBondContact CE-O 3.15Å; K595-N627 PolarHBondContact NZ-O 3.01Å; K595-A629 CarbonylContact C-O 3.41Å; K595-A629 WeakPolarHBondContact CA-O 3.35Å; K595-Y630 HydrophobicContact CB-CD1 4.21Å; K595-Y630 HydrophobicContact CB-CE1 3.9Å; K595-Y630 HydrophobicContact CD-CE1 4.49Å; K595-Y630 HydrophobicContact CD-CE2 4.24Å; K595-Y630 HydrophobicContact CG-CD1 4.39Å; K595-Y630 HydrophobicContact CG-CD2 4.23Å; K595-Y630 HydrophobicContact CG-CE1 3.94Å; K595-Y630 HydrophobicContact CG-CE2 3.76Å
596D93.3Very high90.7Very high89 Ų8961.7 Ų61.748%0.47636%0.364SS..THydrogen-bonded Turntrans53.930.2177-52.8-45.8000113.2K598 G628 A629D596-K598 VanDerWaalsContact C-N 3.33Å; D596-K598 PolarHBondContact O-N 3.15Å; D596-G628 WeakPolarHBondContact OD1-CA 3.19Å; D596-A629 PolarHBondContact N-O 3.43Å; D596-A629 PolarHBondContact OD1-N 3.46Å
597G90.8Very high91.2Very high52 Ų5264.1 Ų64.154%0.53638%0.377SS..THydrogen-bonded Turntrans82.5-4.8-176.300000115.8K595K595-G597 PolarHBondContact O-N 2.72Å
598K91.9Very high91.8Very high156 Ų15660.9 Ų60.968%0.67836%0.358SS*.EExtended strand (participates in β ladder)trans-96.8148.8173.5-63.3-178.8179.3-177.20110.7Y594 K595 D596Y594-K598 CarbonylContact C-O 3.56Å; Y594-K598 WeakPolarHBondContact CA-O 3.3Å; K595-K598 PolarHBondContact N-O 2.89Å; K595-K598 PolarHBondContact O-N 2.83Å; K595-K598 VanDerWaalsContact O-O 3.12Å; D596-K598 VanDerWaalsContact C-N 3.33Å; D596-K598 PolarHBondContact O-N 3.15Å
599P93.5Very high92.2Very high95 Ų9561.8 Ų61.862%0.61736%0.362SS*.EExtended strand (participates in β ladder)trans-63.9145173.228.1-34.7000110.9W593 Y594W593-P599 WeakPolarHBondContact O-CA 3.44Å; Y594-P599 HydrophobicContact CE1-CB 4.4Å
600V92.8Very high92.3Very high19 Ų1964 Ų6412%0.11537%0.374CS..PPolyproline II helixtrans-75.1124176.7174.50000109.8W593 K595 M602 F606 L617 Y630W593-V600 HydrophobicContact CB-CB 4.15Å; W593-V600 HydrophobicContact CB-CG2 4.02Å; W593-V600 PolarHBondContact O-N 3.42Å; K595-V600 HydrophobicContact CB-CG2 4.07Å; V600-M602 HydrophobicContact CG1-SD 4.39Å; V600-M602 PolarHBondContact O-N 2.97Å; V600-M602 VanDerWaalsContact O-N 3.12Å; V600-F606 HydrophobicContact CG1-CB 4.07Å; V600-F606 HydrophobicContact CG1-CD1 3.69Å; V600-F606 HydrophobicContact CG1-CE1 4.26Å; V600-F606 HydrophobicContact CG1-CG 3.86Å; V600-L617 HydrophobicContact CG1-CD1 4.45Å; V600-L617 HydrophobicContact CG2-CD2 4.49Å; V600-Y630 HydrophobicContact CG2-CD1 4.4Å; V600-Y630 HydrophobicContact CG2-CE1 4.15Å
601S89.7Confident92.2Very high102 Ų10265.2 Ų65.271%0.71338%0.378SS*.  trans-72102.6176.1-54.80000111.1
602M89.5Confident91.8Very high103 Ų10373.2 Ų73.251%0.50741%0.405SS..  trans-61.5140.9177.5-57.7-47.3-55.600111.9V600 F606 A608V600-M602 HydrophobicContact CG1-SD 4.39Å; V600-M602 PolarHBondContact O-N 2.97Å; V600-M602 VanDerWaalsContact O-N 3.12Å; M602-F606 WeakPolarHBondContact CE-O 3.47Å; M602-A608 HydrophobicContact CE-CB 3.36Å; M602-A608 HydrophobicContact SD-CB 4.08Å
603G83.5Confident91.4Very high48 Ų4869.8 Ų69.850%0.49539%0.39SS..SBendtrans175.9-159.5-177.900000113.8R605 F606G603-R605 PolarHBondContact O-N 3.45Å; G603-F606 PolarHBondContact N-O 3.36Å; G603-F606 VanDerWaalsContact N-O 3.12Å; G603-F606 CarbonylContact O-C 3.56Å; G603-F606 PolarHBondContact O-N 2.86Å
604C84.2Confident91.2Very high104 Ų10472.7 Ų72.770%0.70340%0.403SS*.SBendtrans-69.4-16.5-176.9620000114.8H620C604-H620 PolarHBondContact O-ND1 3.29Å
605R92.5Very high91.1Very high46 Ų4670.6 Ų70.617%0.17440%0.395CS..SBendtrans-94.5-38.2173.3-57.6-153.2-57.7117.1-3.2113.4G603 I619 H620 Y621 D626G603-R605 PolarHBondContact O-N 3.45Å; R605-I619 WeakPolarHBondContact O-CA 3.32Å; R605-H620 PolarHBondContact O-N 3.23Å; R605-Y621 HydrophobicContact CG-CE1 4.18Å; R605-Y621 HydrophobicContact CG-CE2 3.96Å; R605-Y621 PolarHBondContact NH1-O 3.16Å; R605-D626 IonicContact CZ-OD1 3.12Å; R605-D626 IonicContact CZ-OD2 3.34Å; R605-D626 IonicContact NH1-OD1 2.69Å; R605-D626 PolarHBondContact NH1-OD1 3.45Å; R605-D626 IonicContact NH1-OD2 3.71Å; R605-D626 PolarHBondContact NH1-OD2 3.12Å; R605-D626 IonicContact NH2-OD1 2.87Å; R605-D626 PolarHBondContact NH2-OD1 2.96Å; R605-D626 IonicContact NH2-OD2 3.15Å; R605-D626 PolarHBondContact NH2-OD2 3.11Å
606F93.5Very high91.1Very high26 Ų2669.9 Ų69.911%0.11439%0.393CS..EExtended strand (participates in β ladder)trans-108.5110.7-175.1-64.9-83.2000109.6V600 M602 G603 L617 D618 I619 D626V600-F606 HydrophobicContact CG1-CB 4.07Å; V600-F606 HydrophobicContact CG1-CD1 3.69Å; V600-F606 HydrophobicContact CG1-CE1 4.26Å; V600-F606 HydrophobicContact CG1-CG 3.86Å; M602-F606 WeakPolarHBondContact CE-O 3.47Å; G603-F606 PolarHBondContact N-O 3.36Å; G603-F606 VanDerWaalsContact N-O 3.12Å; G603-F606 CarbonylContact O-C 3.56Å; G603-F606 PolarHBondContact O-N 2.86Å; F606-L617 HydrophobicContact CB-CD1 4.35Å; F606-L617 HydrophobicContact CD1-CD1 4.39Å; F606-D618 WeakPolarHBondContact CA-O 3.21Å; F606-I619 HydrophobicContact CD1-CD1 4.17Å; F606-I619 HydrophobicContact CD1-CG1 3.76Å; F606-I619 HydrophobicContact CD1-CG2 4.39Å; F606-I619 HydrophobicContact CE1-CB 4.5Å; F606-I619 HydrophobicContact CE1-CD1 3.68Å; F606-I619 HydrophobicContact CE1-CG1 3.74Å; F606-I619 HydrophobicContact CE1-CG2 4.04Å; F606-I619 HydrophobicContact CZ-CG2 4.5Å; F606-D626 WeakPolarHBondContact CZ-OD1 3.46Å
607N93Very high91.3Very high67 Ų6765.7 Ų65.736%0.35837%0.37SS..EExtended strand (participates in β ladder)trans-115.3129177.917936.6000109.7L617 D618N607-L617 CarbonylContact O-C 3.56Å; N607-L617 WeakPolarHBondContact O-CA 3.45Å; N607-D618 HydrophobicContact CB-CB 4.44Å; N607-D618 PolarHBondContact N-O 2.75Å; N607-D618 PolarHBondContact O-N 2.87Å
608A94.4Very high91.5Very high34 Ų3465.1 Ų65.128%0.28136%0.355SS..EExtended strand (participates in β ladder)trans-129.8138.8-179.900000110.4M602 M616 L617M602-A608 HydrophobicContact CE-CB 3.36Å; M602-A608 HydrophobicContact SD-CB 4.08Å; A608-M616 WeakPolarHBondContact CA-O 3.45Å; A608-M616 WeakPolarHBondContact CB-O 3.46Å; A608-L617 HydrophobicContact CB-CD1 4.17Å
609V92.7Very high91.7Very high63 Ų6357.8 Ų57.838%0.38232%0.323SS..EExtended strand (participates in β ladder)trans-132.6141.3-174.8-175.10000109.2A615 M616V609-A615 WeakPolarHBondContact O-CA 3.36Å; V609-M616 HydrophobicContact CB-CG 3.72Å; V609-M616 HydrophobicContact CB-SD 4.08Å; V609-M616 HydrophobicContact CG2-CE 4.33Å; V609-M616 HydrophobicContact CG2-CG 4.32Å; V609-M616 HydrophobicContact CG2-SD 4.28Å; V609-M616 PolarHBondContact N-O 2.84Å; V609-M616 VanDerWaalsContact N-O 3.07Å; V609-M616 PolarHBondContact O-N 2.89Å
610L92.4Very high91.6Very high66 Ų6657.9 Ų57.935%0.34632%0.315SS..EExtended strand (participates in β ladder)trans-130.3114169.6175.863.3000108.3L589 V591 F614 A615L589-L610 HydrophobicContact CD2-CD1 4.5Å; L589-L610 WeakPolarHBondContact O-CD2 3.17Å; V591-L610 HydrophobicContact CB-CD2 4.35Å; V591-L610 HydrophobicContact CG2-CD1 3.89Å; V591-L610 HydrophobicContact CG2-CD2 4.03Å; L610-F614 WeakPolarHBondContact CA-O 3.38Å; L610-A615 HydrophobicContact CD1-CB 4.03Å
611D90.6Very high91.5Very high94 Ų9461.1 Ų61.150%0.50333%0.326SS..EExtended strand (participates in β ladder)trans-134.7121.5173.1178.329.5000109.7G613 F614D611-G613 PolarHBondContact O-N 2.82Å; D611-F614 PolarHBondContact N-O 2.88Å; D611-F614 WeakPolarHBondContact O-CB 3.35Å; D611-F614 PolarHBondContact O-N 2.89Å
612R86.3Confident91.6Very high194 Ų19456.3 Ų56.373%0.73229%0.292SS*.THydrogen-bonded Turntrans46.839.3178.3-61153.8-160.1-116.81.3113.7T584 F614T584-R612 WeakPolarHBondContact CB-O 3.32Å; T584-R612 WeakPolarHBondContact CG2-O 3.31Å; R612-F614 VanDerWaalsContact C-N 3.32Å; R612-F614 PolarHBondContact O-N 2.9Å
613G85.7Confident91.7Very high3 Ų354.4 Ų54.43%0.03128%0.28CS..THydrogen-bonded Turntrans81.4-7.1-178.200000116C580 V581 D611 A615C580-G613 CarbonylContact C-O 3.46Å; C580-G613 WeakPolarHBondContact CA-O 3.46Å; V581-G613 PolarHBondContact N-O 3.45Å; V581-G613 WeakPolarHBondContact O-CA 3.49Å; D611-G613 PolarHBondContact O-N 2.82Å; G613-A615 PolarHBondContact O-N 3.12Å
614F93.2Very high91.9Very high78 Ų7853.7 Ų53.734%0.34227%0.266SS..EExtended strand (participates in β ladder)trans-74.7123.5164.4-176.9-105.3000109E578 L610 D611 R612 M616E578-F614 HydrophobicContact CB-CE2 4.25Å; E578-F614 HydrophobicContact CB-CZ 4.08Å; L610-F614 WeakPolarHBondContact CA-O 3.38Å; D611-F614 PolarHBondContact N-O 2.88Å; D611-F614 WeakPolarHBondContact O-CB 3.35Å; D611-F614 PolarHBondContact O-N 2.89Å; R612-F614 VanDerWaalsContact C-N 3.32Å; R612-F614 PolarHBondContact O-N 2.9Å; F614-M616 HydrophobicContact CE1-CB 4.18Å; F614-M616 HydrophobicContact CE1-CG 4.05Å; F614-M616 HydrophobicContact CE1-SD 3.84Å
615A94.4Very high92.1Very high0 Ų053.7 Ų53.70%026%0.256CS..EExtended strand (participates in β ladder)trans-127.8130-175.300000111E578 T579 V581 V591 V609 L610 G613E578-A615 WeakPolarHBondContact CA-O 3.47Å; T579-A615 HydrophobicContact CG2-CB 3.95Å; T579-A615 PolarHBondContact N-O 2.86Å; T579-A615 PolarHBondContact O-N 2.87Å; V581-A615 HydrophobicContact CG2-CB 4.48Å; V591-A615 HydrophobicContact CB-CB 4.41Å; V591-A615 HydrophobicContact CG1-CB 4.19Å; V591-A615 HydrophobicContact CG2-CB 4.12Å; V609-A615 WeakPolarHBondContact O-CA 3.36Å; L610-A615 HydrophobicContact CD1-CB 4.03Å; G613-A615 PolarHBondContact O-N 3.12Å
616M95.6Very high92.1Very high29 Ų2951.9 Ų51.914%0.14325%0.249CC..EExtended strand (participates in β ladder)trans-140.7156.4-175.554.3173.2-80.600112.9F577 W593 A608 V609 F614 D618F577-M616 CarbonylContact O-C 3.57Å; F577-M616 WeakPolarHBondContact O-CA 3.21Å; F577-M616 WeakPolarHBondContact O-CB 3.44Å; W593-M616 VanDerWaalsContact CZ2-C 3.42Å; W593-M616 PolarHBondContact NE1-O 3.03Å; A608-M616 WeakPolarHBondContact CA-O 3.45Å; A608-M616 WeakPolarHBondContact CB-O 3.46Å; V609-M616 HydrophobicContact CB-CG 3.72Å; V609-M616 HydrophobicContact CB-SD 4.08Å; V609-M616 HydrophobicContact CG2-CE 4.33Å; V609-M616 HydrophobicContact CG2-CG 4.32Å; V609-M616 HydrophobicContact CG2-SD 4.28Å; V609-M616 PolarHBondContact N-O 2.84Å; V609-M616 VanDerWaalsContact N-O 3.07Å; V609-M616 PolarHBondContact O-N 2.89Å; F614-M616 HydrophobicContact CE1-CB 4.18Å; F614-M616 HydrophobicContact CE1-CG 4.05Å; F614-M616 HydrophobicContact CE1-SD 3.84Å; M616-D618 WeakPolarHBondContact CE-OD2 3.43Å
617L96.4Very high92.1Very high0 Ų053.3 Ų53.30%026%0.258CS..EExtended strand (participates in β ladder)trans-135.9116.2169.9171.668.2000109.1F577 W593 V600 F606 N607 A608 Y630F577-L617 HydrophobicContact CB-CB 4.36Å; F577-L617 HydrophobicContact CD2-CD2 4.18Å; F577-L617 HydrophobicContact CD2-CG 4.42Å; F577-L617 PolarHBondContact N-O 3.05Å; F577-L617 PolarHBondContact O-N 2.8Å; W593-L617 HydrophobicContact CB-CD2 4.18Å; W593-L617 HydrophobicContact CD2-CB 3.58Å; W593-L617 HydrophobicContact CD2-CD2 3.86Å; W593-L617 HydrophobicContact CD2-CG 4.28Å; W593-L617 HydrophobicContact CE3-CB 3.78Å; W593-L617 HydrophobicContact CE3-CD2 3.67Å; W593-L617 HydrophobicContact CE3-CG 4.38Å; W593-L617 HydrophobicContact CG-CB 4.15Å; W593-L617 HydrophobicContact CG-CD2 4.09Å; W593-L617 HydrophobicContact CH2-CB 3.95Å; W593-L617 HydrophobicContact CZ2-CB 3.77Å; W593-L617 HydrophobicContact CZ3-CB 3.96Å; W593-L617 HydrophobicContact CZ3-CD2 4.33Å; V600-L617 HydrophobicContact CG1-CD1 4.45Å; V600-L617 HydrophobicContact CG2-CD2 4.49Å; F606-L617 HydrophobicContact CB-CD1 4.35Å; F606-L617 HydrophobicContact CD1-CD1 4.39Å; N607-L617 CarbonylContact O-C 3.56Å; N607-L617 WeakPolarHBondContact O-CA 3.45Å; A608-L617 HydrophobicContact CB-CD1 4.17Å; L617-Y630 HydrophobicContact CD2-CD1 4.07Å; L617-Y630 HydrophobicContact CD2-CE1 4.21Å
618D95.7Very high92.2Very high41 Ų4150.9 Ų50.922%0.21925%0.249CC..EExtended strand (participates in β ladder)trans-97.1138.8170-76.3-37000110.6H576 F606 N607 M616H576-D618 IonicContact CE1-OD1 3.85Å; H576-D618 IonicContact CG-OD1 2.82Å; H576-D618 IonicContact ND1-OD1 3.19Å; H576-D618 PolarHBondContact ND1-OD1 2.99Å; F606-D618 WeakPolarHBondContact CA-O 3.21Å; N607-D618 HydrophobicContact CB-CB 4.44Å; N607-D618 PolarHBondContact N-O 2.75Å; N607-D618 PolarHBondContact O-N 2.87Å; M616-D618 WeakPolarHBondContact CE-OD2 3.43Å
619I95.3Very high92.3Very high1 Ų151 Ų511%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-115.8108.1167.5-50177.7000106.8P574 A575 F577 R605 F606 Y621 Y630 L648P574-I619 CarbonylContact C-O 3.54Å; P574-I619 WeakPolarHBondContact CA-O 3.36Å; A575-I619 HydrophobicContact CB-CB 4.19Å; A575-I619 HydrophobicContact CB-CD1 4.28Å; A575-I619 HydrophobicContact CB-CG1 4.46Å; A575-I619 PolarHBondContact N-O 2.8Å; A575-I619 PolarHBondContact O-N 2.72Å; F577-I619 HydrophobicContact CE2-CD1 4.09Å; R605-I619 WeakPolarHBondContact O-CA 3.32Å; F606-I619 HydrophobicContact CD1-CD1 4.17Å; F606-I619 HydrophobicContact CD1-CG1 3.76Å; F606-I619 HydrophobicContact CD1-CG2 4.39Å; F606-I619 HydrophobicContact CE1-CB 4.5Å; F606-I619 HydrophobicContact CE1-CD1 3.68Å; F606-I619 HydrophobicContact CE1-CG1 3.74Å; F606-I619 HydrophobicContact CE1-CG2 4.04Å; F606-I619 HydrophobicContact CZ-CG2 4.5Å; I619-Y621 VanDerWaalsContact C-N 3.31Å; I619-Y621 PolarHBondContact O-N 3.48Å; I619-Y630 HydrophobicContact CD1-CE1 4.21Å; I619-L648 HydrophobicContact CD1-CD1 3.54Å
620H91.8Very high92.5Very high97 Ų9748 Ų4845%0.44923%0.232SC..SBendtrans-63.8-33-171-67.8145.2000114.1C604 R605C604-H620 PolarHBondContact O-ND1 3.29Å; R605-H620 PolarHBondContact O-N 3.23Å
621Y91.5Very high92.7Very high88 Ų8846.1 Ų46.135%0.34522%0.221SC..SBendtrans-156.4119176.746.8-84.4000109R605 I619 Y623R605-Y621 HydrophobicContact CG-CE1 4.18Å; R605-Y621 HydrophobicContact CG-CE2 3.96Å; R605-Y621 PolarHBondContact NH1-O 3.16Å; I619-Y621 VanDerWaalsContact C-N 3.31Å; I619-Y621 PolarHBondContact O-N 3.48Å; Y621-Y623 HydrophobicContact CD2-CD2 4.49Å; Y621-Y623 AromaticContact CD2-CE2 3.58Å; Y621-Y623 HydrophobicContact CD2-CE2 3.58Å; Y621-Y623 AromaticContact CD2-CZ 3.84Å; Y621-Y623 AromaticContact CE2-CE2 3.76Å; Y621-Y623 HydrophobicContact CE2-CE2 3.76Å
622C91.5Very high92.9Very high0 Ų041.6 Ų41.60%020%0.197CC..  trans-88145.4-176.9-56.50000111.9S572 A573 A575 D626 C650S572-C622 PolarHBondContact N-O 3.18Å; A573-C622 WeakPolarHBondContact O-CB 3.48Å; A573-C622 PolarHBondContact O-N 3.28Å; A573-C622 PolarHBondContact O-SG 2.95Å; A575-C622 VanDerWaalsContact CB-SG 3.55Å; C622-D626 WeakPolarHBondContact CA-OD2 3.31Å; C622-C650 HydrophobicContact CB-CB 4.16Å
623Y90.6Very high93.4Very high64 Ų6433 Ų3325%0.25117%0.166SC..  trans-119.8165.5169.9-66.4-72.2000111E571 Y621 E625 D626 T658E571-Y623 HydrophobicContact CG-CD1 3.89Å; E571-Y623 HydrophobicContact CG-CE1 4.39Å; Y621-Y623 HydrophobicContact CD2-CD2 4.49Å; Y621-Y623 AromaticContact CD2-CE2 3.58Å; Y621-Y623 HydrophobicContact CD2-CE2 3.58Å; Y621-Y623 AromaticContact CD2-CZ 3.84Å; Y621-Y623 AromaticContact CE2-CE2 3.76Å; Y621-Y623 HydrophobicContact CE2-CE2 3.76Å; Y623-E625 VanDerWaalsContact CB-OE2 3.31Å; Y623-E625 WeakPolarHBondContact CB-OE2 3.02Å; Y623-E625 PolarHBondContact O-N 2.83Å; Y623-D626 PolarHBondContact N-OD2 3.01Å; Y623-D626 WeakPolarHBondContact O-CB 3.36Å; Y623-D626 PolarHBondContact O-N 2.94Å; Y623-T658 HydrophobicContact CD1-CG2 4.17Å
624P88.9Confident93.9Very high32 Ų3232.9 Ų32.921%0.20816%0.164CC..G310 helixtrans-57.4-27.5176.1-25.336.1000114.4D626 N627 A652P624-D626 VanDerWaalsContact C-N 3.31Å; P624-N627 VanDerWaalsContact O-CB 3.27Å; P624-N627 WeakPolarHBondContact O-CB 3.46Å; P624-N627 PolarHBondContact O-N 3.45Å; P624-N627 PolarHBondContact O-ND2 2.92Å; P624-A652 HydrophobicContact CB-CB 4.48Å; P624-A652 HydrophobicContact CG-CB 3.53Å
625E89.1Confident93.9Very high105 Ų10532.6 Ų32.649%0.49116%0.161SC..G310 helixtrans-73.5-16.4173.161.6-93.5-150.600114.6K595 Y623 N627K595-E625 PolarHBondContact NZ-O 2.91Å; Y623-E625 VanDerWaalsContact CB-OE2 3.31Å; Y623-E625 WeakPolarHBondContact CB-OE2 3.02Å; Y623-E625 PolarHBondContact O-N 2.83Å; E625-N627 PolarHBondContact O-N 3.25Å
626D92.2Very high93.7Very high7 Ų733.4 Ų33.44%0.03717%0.165CC..G310 helixtrans-77.6-8.1172.3-60-43.8000112.1K595 R605 F606 C622 Y623 P624 G628 Y630 L648K595-D626 VanDerWaalsContact CE-C 3.48Å; K595-D626 WeakPolarHBondContact CE-O 3.25Å; R605-D626 IonicContact CZ-OD1 3.12Å; R605-D626 IonicContact CZ-OD2 3.34Å; R605-D626 IonicContact NH1-OD1 2.69Å; R605-D626 PolarHBondContact NH1-OD1 3.45Å; R605-D626 IonicContact NH1-OD2 3.71Å; R605-D626 PolarHBondContact NH1-OD2 3.12Å; R605-D626 IonicContact NH2-OD1 2.87Å; R605-D626 PolarHBondContact NH2-OD1 2.96Å; R605-D626 IonicContact NH2-OD2 3.15Å; R605-D626 PolarHBondContact NH2-OD2 3.11Å; F606-D626 WeakPolarHBondContact CZ-OD1 3.46Å; C622-D626 WeakPolarHBondContact CA-OD2 3.31Å; Y623-D626 PolarHBondContact N-OD2 3.01Å; Y623-D626 WeakPolarHBondContact O-CB 3.36Å; Y623-D626 PolarHBondContact O-N 2.94Å; P624-D626 VanDerWaalsContact C-N 3.31Å; D626-G628 PolarHBondContact O-N 3Å; D626-Y630 WeakPolarHBondContact O-CE2 3.21Å; D626-Y630 PolarHBondContact O-OH 3.45Å; D626-L648 HydrophobicContact CB-CD2 4.46Å
627N93.8Very high93.4Very high57 Ų5736 Ų3631%0.30519%0.191SC..  trans-60.9133.8175.1-68.3-19.8000111.4K595 P624 E625 L648 C650K595-N627 VanDerWaalsContact CE-O 3.25Å; K595-N627 WeakPolarHBondContact CE-O 3.15Å; K595-N627 PolarHBondContact NZ-O 3.01Å; P624-N627 VanDerWaalsContact O-CB 3.27Å; P624-N627 WeakPolarHBondContact O-CB 3.46Å; P624-N627 PolarHBondContact O-N 3.45Å; P624-N627 PolarHBondContact O-ND2 2.92Å; E625-N627 PolarHBondContact O-N 3.25Å; N627-L648 WeakPolarHBondContact CA-O 3.43Å; N627-C650 PolarHBondContact ND2-O 3.49Å; N627-C650 WeakPolarHBondContact OD1-CA 3.18Å; N627-C650 VanDerWaalsContact OD1-CB 3.28Å; N627-C650 WeakPolarHBondContact OD1-CB 3.39Å; N627-C650 PolarHBondContact OD1-N 2.86Å; N627-C650 PolarHBondContact OD1-O 2.91Å
628G93.8Very high92.9Very high15 Ų1538.2 Ų38.216%0.15521%0.21CC..EExtended strand (participates in β ladder)trans163-174.2-179.300000114.5D596 D626 L648D596-G628 WeakPolarHBondContact OD1-CA 3.19Å; D626-G628 PolarHBondContact O-N 3Å; G628-L648 PolarHBondContact N-O 2.78Å; G628-L648 PolarHBondContact O-N 2.73Å
629A96.3Very high92.7Very high36 Ų3637.7 Ų37.730%0.29821%0.213SC..EExtended strand (participates in β ladder)trans-95.8106.5-178.400000111K595 D596 V645 V646K595-A629 CarbonylContact C-O 3.41Å; K595-A629 WeakPolarHBondContact CA-O 3.35Å; D596-A629 PolarHBondContact N-O 3.43Å; D596-A629 PolarHBondContact OD1-N 3.46Å; A629-V645 HydrophobicContact CB-CG1 3.76Å; A629-V646 CarbonylContact C-O 3.59Å; A629-V646 WeakPolarHBondContact CA-O 3.27Å
630Y97Very high92.6Very high1 Ų143.8 Ų43.80%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-94.8141.6-179.9-75.1-97.3000112.1F577 Y594 K595 V600 L617 I619 D626 V645 V646 L648F577-Y630 HydrophobicContact CE2-CD1 4.17Å; F577-Y630 HydrophobicContact CE2-CD2 4.35Å; F577-Y630 HydrophobicContact CE2-CG 4.06Å; F577-Y630 HydrophobicContact CZ-CD2 4.1Å; F577-Y630 HydrophobicContact CZ-CG 4.02Å; Y594-Y630 WeakPolarHBondContact O-CA 3.36Å; K595-Y630 HydrophobicContact CB-CD1 4.21Å; K595-Y630 HydrophobicContact CB-CE1 3.9Å; K595-Y630 HydrophobicContact CD-CE1 4.49Å; K595-Y630 HydrophobicContact CD-CE2 4.24Å; K595-Y630 HydrophobicContact CG-CD1 4.39Å; K595-Y630 HydrophobicContact CG-CD2 4.23Å; K595-Y630 HydrophobicContact CG-CE1 3.94Å; K595-Y630 HydrophobicContact CG-CE2 3.76Å; V600-Y630 HydrophobicContact CG2-CD1 4.4Å; V600-Y630 HydrophobicContact CG2-CE1 4.15Å; L617-Y630 HydrophobicContact CD2-CD1 4.07Å; L617-Y630 HydrophobicContact CD2-CE1 4.21Å; I619-Y630 HydrophobicContact CD1-CE1 4.21Å; D626-Y630 WeakPolarHBondContact O-CE2 3.21Å; D626-Y630 PolarHBondContact O-OH 3.45Å; Y630-V645 WeakPolarHBondContact O-CA 3.35Å; Y630-V646 PolarHBondContact N-O 3.43Å; Y630-V646 WeakPolarHBondContact O-CG2 3.49Å; Y630-V646 PolarHBondContact O-N 3.14Å; Y630-L648 HydrophobicContact CD2-CB 3.8Å; Y630-L648 HydrophobicContact CE2-CB 3.64Å; Y630-L648 HydrophobicContact CE2-CD1 3.93Å; Y630-L648 HydrophobicContact CE2-CG 4.36Å
631F96.8Very high92.8Very high26 Ų2641.2 Ų41.211%0.11423%0.233CC..EExtended strand (participates in β ladder)trans-154.4172168.462.9-90.2000110.6Y594 V633 Q642 V645Y594-F631 VanDerWaalsContact CB-CE2 3.5Å; Y594-F631 HydrophobicContact CD1-CE2 4.31Å; Y594-F631 HydrophobicContact CD1-CZ 4.14Å; Y594-F631 HydrophobicContact CD2-CD2 4.14Å; Y594-F631 AromaticContact CD2-CE2 3.63Å; Y594-F631 HydrophobicContact CD2-CE2 3.63Å; Y594-F631 HydrophobicContact CD2-CZ 4.24Å; Y594-F631 HydrophobicContact CE2-CE2 4.43Å; Y594-F631 HydrophobicContact CG-CD2 4.26Å; Y594-F631 HydrophobicContact CG-CE1 4.46Å; Y594-F631 AromaticContact CG-CE2 3.56Å; Y594-F631 HydrophobicContact CG-CE2 3.56Å; Y594-F631 AromaticContact CG-CZ 3.69Å; Y594-F631 HydrophobicContact CG-CZ 3.69Å; Y594-F631 PolarHBondContact N-O 2.81Å; Y594-F631 PolarHBondContact O-N 2.97Å; F631-V633 HydrophobicContact CD2-CG2 4.2Å; F631-V633 HydrophobicContact CE2-CG2 3.94Å; F631-Q642 HydrophobicContact CD2-CG 3.68Å; F631-Q642 HydrophobicContact CE2-CG 4.09Å; F631-Q642 HydrophobicContact CG-CG 4.43Å; F631-V645 HydrophobicContact CB-CG2 4.12Å; F631-V645 HydrophobicContact CD1-CG2 4.11Å; F631-V645 HydrophobicContact CG-CG2 4.34Å
632C95.9Very high93Very high0 Ų042 Ų420%024%0.24CC..EExtended strand (participates in β ladder)trans-128.9157169.561.60000112.1F559 V591 E592 W593 S643F559-C632 VanDerWaalsContact CE1-SG 3.55Å; F559-C632 WeakPolarHBondContact CZ-SG 2.96Å; V591-C632 HydrophobicContact CG1-CB 3.83Å; E592-C632 CarbonylContact O-C 3.56Å; E592-C632 WeakPolarHBondContact O-CA 3.12Å; E592-C632 WeakPolarHBondContact O-CB 3.38Å; W593-C632 HydrophobicContact CD2-CB 3.77Å; W593-C632 HydrophobicContact CE3-CB 3.79Å; W593-C632 HydrophobicContact CG-CB 4.28Å; W593-C632 HydrophobicContact CH2-CB 4.39Å; W593-C632 HydrophobicContact CZ2-CB 4.35Å; W593-C632 HydrophobicContact CZ3-CB 4.12Å; C632-S643 PolarHBondContact N-OG 3.03Å; C632-S643 PolarHBondContact O-N 3.35Å; C632-S643 PolarHBondContact O-OG 3.44Å
633V96.1Very high93.2Very high14 Ų1442.5 Ų42.59%0.08524%0.243CC..EExtended strand (participates in β ladder)trans-120119.5175.8179.20000107.7V591 E592 Y594 F631 R635 V641 Q642V591-V633 WeakPolarHBondContact CA-O 3.39Å; E592-V633 PolarHBondContact N-O 3.35Å; E592-V633 PolarHBondContact O-N 2.61Å; Y594-V633 HydrophobicContact CD2-CG2 3.93Å; Y594-V633 HydrophobicContact CE2-CB 4.02Å; Y594-V633 HydrophobicContact CE2-CG2 3.61Å; F631-V633 HydrophobicContact CD2-CG2 4.2Å; F631-V633 HydrophobicContact CE2-CG2 3.94Å; V633-R635 HydrophobicContact CG1-CG 4.19Å; V633-V641 CarbonylContact C-O 3.58Å; V633-V641 WeakPolarHBondContact CA-O 3.34Å; V633-Q642 HydrophobicContact CG2-CB 4.5Å; V633-Q642 HydrophobicContact CG2-CG 4.23Å
634A95.2Very high93.4Very high0 Ų042.5 Ų42.50%025%0.247CC..EExtended strand (participates in β ladder)trans-94.1140.1171.300000109.9P557 F559 V581 L589 T590 V591 Q640 V641P557-A634 HydrophobicContact CB-CB 3.88Å; P557-A634 HydrophobicContact CG-CB 4.29Å; P557-A634 WeakPolarHBondContact CG-O 3.32Å; F559-A634 HydrophobicContact CE1-CB 4.37Å; F559-A634 HydrophobicContact CE2-CB 4.26Å; F559-A634 HydrophobicContact CZ-CB 3.8Å; V581-A634 HydrophobicContact CG1-CB 3.83Å; V581-A634 HydrophobicContact CG2-CB 4.34Å; L589-A634 HydrophobicContact CD1-CB 4.46Å; T590-A634 CarbonylContact O-C 3.57Å; T590-A634 VanDerWaalsContact O-CA 3.3Å; T590-A634 WeakPolarHBondContact O-CA 3.2Å; V591-A634 HydrophobicContact CG2-CB 4.02Å; A634-Q640 CarbonylContact O-C 3.53Å; A634-Q640 VanDerWaalsContact O-CA 3.26Å; A634-Q640 WeakPolarHBondContact O-CA 3.47Å; A634-V641 HydrophobicContact CB-CG1 4.03Å; A634-V641 PolarHBondContact N-O 2.69Å; A634-V641 PolarHBondContact O-N 2.94Å
635R93.6Very high93.8Very high72 Ų7244.7 Ų44.727%0.27226%0.26SS..EExtended strand (participates in β ladder)trans-133.4142.7-177.6-52178-177.4-72.4-6.3109.8L589 T590 E592 Y594 V633 Q640L589-R635 CarbonylContact C-O 3.59Å; L589-R635 VanDerWaalsContact CA-O 3.32Å; L589-R635 WeakPolarHBondContact CA-O 3.27Å; T590-R635 PolarHBondContact N-O 3.19Å; T590-R635 PolarHBondContact O-N 2.99Å; E592-R635 VanDerWaalsContact CD-NE 3.27Å; E592-R635 IonicContact OE1-NE 2.73Å; E592-R635 PolarHBondContact OE1-NE 3.06Å; E592-R635 IonicContact OE2-CZ 2.7Å; E592-R635 IonicContact OE2-NE 3.21Å; E592-R635 PolarHBondContact OE2-NE 3.26Å; E592-R635 IonicContact OE2-NH2 2.77Å; E592-R635 PolarHBondContact OE2-NH2 3.32Å; Y594-R635 PolarHBondContact OH-NH2 3.32Å; V633-R635 HydrophobicContact CG1-CG 4.19Å; R635-Q640 HydrophobicContact CG-CB 4.34Å
636N91.5Very high94.2Very high17 Ų1740.2 Ų40.29%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-146.6-177.8165.879.4-5.2000110.9N555 P557 D586 L589 A638 G639N555-N636 PolarHBondContact O-ND2 3.46Å; P557-N636 WeakPolarHBondContact CD-OD1 3.23Å; D586-N636 VanDerWaalsContact OD2-CB 3.23Å; D586-N636 WeakPolarHBondContact OD2-CB 3.37Å; D586-N636 PolarHBondContact OD2-ND2 3.49Å; L589-N636 HydrophobicContact CD1-CB 4.45Å; N636-A638 PolarHBondContact O-N 3.33Å; N636-A638 VanDerWaalsContact O-N 3.09Å; N636-A638 WeakPolarHBondContact OD1-CA 3.4Å; N636-A638 WeakPolarHBondContact OD1-CB 3.18Å; N636-A638 PolarHBondContact OD1-N 2.89Å; N636-G639 PolarHBondContact N-O 2.87Å; N636-G639 PolarHBondContact O-N 3.05Å; N636-G639 VanDerWaalsContact O-O 3.12Å; N636-G639 PolarHBondContact OD1-N 3.47Å
637A87.9Confident94.3Very high82 Ų8244.5 Ų44.568%0.67826%0.26SS*.THydrogen-bonded Turntrans-63.1-13.2179.600000115.4P553 S588P553-A637 HydrophobicContact CG-CB 4.02Å; S588-A637 PolarHBondContact OG-N 3.47Å
638A86.4Confident94.4Very high48 Ų4841.9 Ų41.940%0.39725%0.246SC..THydrogen-bonded Turntrans-103.3-14178.800000114P553 N636P553-A638 HydrophobicContact CB-CB 4.41Å; N636-A638 PolarHBondContact O-N 3.33Å; N636-A638 VanDerWaalsContact O-N 3.09Å; N636-A638 WeakPolarHBondContact OD1-CA 3.4Å; N636-A638 WeakPolarHBondContact OD1-CB 3.18Å; N636-A638 PolarHBondContact OD1-N 2.89Å
639G90.6Very high94.4Very high29 Ų2944.9 Ų44.930%0.29926%0.256SS..EExtended strand (participates in β ladder)trans165.1-164.6176.100000115.5P557 N636P557-G639 WeakPolarHBondContact CD-O 3.42Å; N636-G639 PolarHBondContact N-O 2.87Å; N636-G639 PolarHBondContact O-N 3.05Å; N636-G639 VanDerWaalsContact O-O 3.12Å; N636-G639 PolarHBondContact OD1-N 3.47Å
640Q94.4Very high94.1Very high130 Ų13043.4 Ų43.461%0.60724%0.243SC*.EExtended strand (participates in β ladder)trans-136.1151.3176.464.4178.13.700110.4A634 R635A634-Q640 CarbonylContact O-C 3.53Å; A634-Q640 VanDerWaalsContact O-CA 3.26Å; A634-Q640 WeakPolarHBondContact O-CA 3.47Å; R635-Q640 HydrophobicContact CG-CB 4.34Å
641V95.4Very high93.7Very high42 Ų4248 Ų4826%0.25527%0.268SS..EExtended strand (participates in β ladder)trans-142.2147.2173.872.90000110.1P557 F559 V633 A634P557-V641 HydrophobicContact CB-CG1 3.84Å; P557-V641 HydrophobicContact CG-CB 4.26Å; P557-V641 HydrophobicContact CG-CG1 3.81Å; P557-V641 WeakPolarHBondContact O-CB 3.37Å; P557-V641 WeakPolarHBondContact O-CG1 3.4Å; F559-V641 HydrophobicContact CD2-CG1 3.7Å; F559-V641 HydrophobicContact CD2-CG2 4.35Å; F559-V641 HydrophobicContact CE2-CG1 3.61Å; V633-V641 CarbonylContact C-O 3.58Å; V633-V641 WeakPolarHBondContact CA-O 3.34Å; A634-V641 HydrophobicContact CB-CG1 4.03Å; A634-V641 PolarHBondContact N-O 2.69Å; A634-V641 PolarHBondContact O-N 2.94Å
642Q96Very high92.8Very high106 Ų10649.7 Ų49.750%0.49529%0.287SS..EExtended strand (participates in β ladder)trans-106142.1176.7-170.1-177-100109.8F631 V633F631-Q642 HydrophobicContact CD2-CG 3.68Å; F631-Q642 HydrophobicContact CE2-CG 4.09Å; F631-Q642 HydrophobicContact CG-CG 4.43Å; V633-Q642 HydrophobicContact CG2-CB 4.5Å; V633-Q642 HydrophobicContact CG2-CG 4.23Å
643S95.5Very high91.8Very high10 Ų1052.8 Ų52.87%0.0730%0.303CS..PPolyproline II helixtrans-70.8173.1174.172.50000111.1L563 C632L563-S643 WeakPolarHBondContact CD1-OG 3.34Å; C632-S643 PolarHBondContact N-OG 3.03Å; C632-S643 PolarHBondContact O-N 3.35Å; C632-S643 PolarHBondContact O-OG 3.44Å
644N96Very high90.4Very high63 Ų6361.4 Ų61.434%0.33734%0.343SS..PPolyproline II helixtrans-59.8148.3158.262.9-61.9000110P562 L563 V646P562-N644 WeakPolarHBondContact CA-OD1 3.3Å; P562-N644 WeakPolarHBondContact CB-OD1 3.44Å; L563-N644 PolarHBondContact N-OD1 3.26Å; L563-N644 PolarHBondContact O-ND2 2.81Å; N644-V646 VanDerWaalsContact ND2-CG1 3.34Å; N644-V646 WeakPolarHBondContact ND2-CG1 3.21Å
645V96.6Very high88.9Confident79 Ų7969.8 Ų69.848%0.47938%0.382SS..PPolyproline II helixtrans-83.6138.9171-175.70000108.7A629 Y630 F631A629-V645 HydrophobicContact CB-CG1 3.76Å; Y630-V645 WeakPolarHBondContact O-CA 3.35Å; F631-V645 HydrophobicContact CB-CG2 4.12Å; F631-V645 HydrophobicContact CD1-CG2 4.11Å; F631-V645 HydrophobicContact CG-CG2 4.34Å
646V96.7Very high87.3Confident11 Ų1170.5 Ų70.57%0.06739%0.39CS..EExtended strand (participates in β ladder)trans-131.7154.8178-70.20000111.3L563 P565 F577 A629 Y630 N644L563-V646 HydrophobicContact CB-CB 4.44Å; L563-V646 HydrophobicContact CB-CG1 3.69Å; L563-V646 HydrophobicContact CB-CG2 3.84Å; L563-V646 HydrophobicContact CD1-CG2 4.08Å; L563-V646 VanDerWaalsContact O-CG1 3.28Å; L563-V646 WeakPolarHBondContact O-CG1 3.39Å; P565-V646 HydrophobicContact CB-CB 4.29Å; F577-V646 HydrophobicContact CD1-CG2 3.91Å; F577-V646 HydrophobicContact CE1-CG2 3.6Å; A629-V646 CarbonylContact C-O 3.59Å; A629-V646 WeakPolarHBondContact CA-O 3.27Å; Y630-V646 PolarHBondContact N-O 3.43Å; Y630-V646 WeakPolarHBondContact O-CG2 3.49Å; Y630-V646 PolarHBondContact O-N 3.14Å; N644-V646 VanDerWaalsContact ND2-CG1 3.34Å; N644-V646 WeakPolarHBondContact ND2-CG1 3.21Å
647E95.4Very high85.9Confident97 Ų9774.5 Ų74.545%0.45342%0.415SS..EExtended strand (participates in β ladder)trans-96.9140.5-179.3-160.9180177.600111.3P565 Q566 Q649P565-E647 WeakPolarHBondContact CA-O 3.44Å; Q566-E647 PolarHBondContact N-O 3.3Å; E647-Q649 HydrophobicContact CG-CG 4.01Å; E647-Q649 WeakPolarHBondContact OE1-CG 3.18Å; E647-Q649 PolarHBondContact OE1-NE2 3.05Å; E647-Q649 PolarHBondContact OE2-NE2 3.43Å
648L94.9Very high84.6Confident1 Ų173.8 Ų73.81%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-105.7126.1161.5-168.6151.9000109Q566 L569 A575 F577 I619 D626 N627 G628 Y630 C650Q566-L648 HydrophobicContact CB-CG 4.43Å; Q566-L648 WeakPolarHBondContact O-CA 3.48Å; L569-L648 HydrophobicContact CD1-CD2 4.33Å; L569-L648 HydrophobicContact CD1-CG 4.21Å; A575-L648 HydrophobicContact CB-CD1 3.86Å; F577-L648 HydrophobicContact CE2-CD1 4.06Å; F577-L648 HydrophobicContact CZ-CB 4.28Å; F577-L648 HydrophobicContact CZ-CD1 4.04Å; I619-L648 HydrophobicContact CD1-CD1 3.54Å; D626-L648 HydrophobicContact CB-CD2 4.46Å; N627-L648 WeakPolarHBondContact CA-O 3.43Å; G628-L648 PolarHBondContact N-O 2.78Å; G628-L648 PolarHBondContact O-N 2.73Å; Y630-L648 HydrophobicContact CD2-CB 3.8Å; Y630-L648 HydrophobicContact CE2-CB 3.64Å; Y630-L648 HydrophobicContact CE2-CD1 3.93Å; Y630-L648 HydrophobicContact CE2-CG 4.36Å; L648-C650 HydrophobicContact CD2-CB 3.98Å
649Q93.8Very high83.6Confident79 Ų7975.6 Ų75.637%0.36941%0.411SS..EExtended strand (participates in β ladder)trans-126.8110.3172.7-64.1178.7-11.400110.7Q566 V567 G568 L569 E647Q566-Q649 PolarHBondContact O-N 2.84Å; V567-Q649 HydrophobicContact CB-CB 4.19Å; V567-Q649 HydrophobicContact CB-CG 4.48Å; V567-Q649 HydrophobicContact CG1-CB 4.11Å; V567-Q649 HydrophobicContact CG1-CG 3.95Å; G568-Q649 PolarHBondContact N-O 3.26Å; G568-Q649 VanDerWaalsContact N-O 3.07Å; L569-Q649 PolarHBondContact N-O 2.99Å; E647-Q649 HydrophobicContact CG-CG 4.01Å; E647-Q649 WeakPolarHBondContact OE1-CG 3.18Å; E647-Q649 PolarHBondContact OE1-NE2 3.05Å; E647-Q649 PolarHBondContact OE2-NE2 3.43Å
650C91.1Very high82.4Confident5 Ų577.6 Ų77.63%0.03442%0.421CS..EExtended strand (participates in β ladder)trans-113.1123.1174.6-175.70000109.7L569 R570 E571 C622 N627 L648L569-C650 HydrophobicContact CB-CB 4.24Å; L569-C650 WeakPolarHBondContact O-CA 3.35Å; R570-C650 VanDerWaalsContact C-SG 3.52Å; E571-C650 PolarHBondContact N-SG 2.76Å; C622-C650 HydrophobicContact CB-CB 4.16Å; N627-C650 PolarHBondContact ND2-O 3.49Å; N627-C650 WeakPolarHBondContact OD1-CA 3.18Å; N627-C650 VanDerWaalsContact OD1-CB 3.28Å; N627-C650 WeakPolarHBondContact OD1-CB 3.39Å; N627-C650 PolarHBondContact OD1-N 2.86Å; N627-C650 PolarHBondContact OD1-O 2.91Å; L648-C650 HydrophobicContact CD2-CB 3.98Å
651N87.9Confident81.5Confident97 Ų9777.4 Ų77.452%0.51943%0.428SS..EExtended strand (participates in β ladder)trans-86.5129.6176.1-68.689000110.4L569 E571L569-N651 PolarHBondContact O-N 2.83Å; L569-N651 PolarHBondContact O-OD1 3.17Å; E571-N651 PolarHBondContact N-O 3.3Å
652A78.3Confident80.5Confident62 Ų6279.3 Ų79.351%0.51244%0.437SS..PPolyproline II helixtrans-63.9145.5171.200000111.6E571 P624E571-A652 WeakPolarHBondContact OE2-CA 3.42Å; P624-A652 HydrophobicContact CB-CB 4.48Å; P624-A652 HydrophobicContact CG-CB 3.53Å
653D75.6Confident79.7Confident65 Ų6576.6 Ų76.635%0.34843%0.429SS..PPolyproline II helixtrans-97133.1166.2-86.3-33.7000109.6R570 E571 H655 I656R570-D653 IonicContact NH1-OD1 2.87Å; R570-D653 PolarHBondContact NH1-OD1 3.07Å; R570-D653 IonicContact NH1-OD2 3.71Å; E571-D653 PolarHBondContact OE2-N 2.86Å; D653-H655 PolarHBondContact O-N 2.98Å; D653-I656 PolarHBondContact O-N 2.84Å; D653-I656 VanDerWaalsContact O-N 3.15Å
654E66.6Low79Confident195 Ų19585 Ų8591%0.91147%0.465SS*.THydrogen-bonded Turntrans-60.74.7-171.8-64-172.7130.500116.3
655H62.7Low78.2Confident176 Ų17689.1 Ų89.182%0.81548%0.482SS*.THydrogen-bonded Turntrans-114.3-1.7-177.6-63.6-22.6000113.8D653D653-H655 PolarHBondContact O-N 2.98Å
656I59.5Low77.2Confident87 Ų8787.8 Ų87.845%0.44648%0.476SS..  trans-111.4119177.3-52.9179.9000109.4E571 D653 T658E571-I656 HydrophobicContact CG-CD1 4.23Å; E571-I656 WeakPolarHBondContact OE1-CB 3.34Å; E571-I656 VanDerWaalsContact OE1-CG2 3.28Å; E571-I656 WeakPolarHBondContact OE1-CG2 3.28Å; D653-I656 PolarHBondContact O-N 2.84Å; D653-I656 VanDerWaalsContact O-N 3.15Å; I656-T658 HydrophobicContact CG2-CG2 3.96Å; I656-T658 PolarHBondContact O-N 2.59Å
657V62.1Low76.5Confident101 Ų10189.6 Ų89.661%0.61249%0.485SS*.  trans-90.288174.8-175.30000108.1S659 V661V657-S659 VanDerWaalsContact C-N 3.3Å; V657-S659 WeakPolarHBondContact CG1-OG 3.37Å; V657-V661 HydrophobicContact CG1-CG1 3.87Å
658T60.6Low75.8Confident67 Ų6788.5 Ų88.541%0.41149%0.488SS..  trans-76.9-17173.255.70000112.8E571 Y623 I656E571-T658 WeakPolarHBondContact OE1-CG2 3.47Å; Y623-T658 HydrophobicContact CD1-CG2 4.17Å; I656-T658 HydrophobicContact CG2-CG2 3.96Å; I656-T658 PolarHBondContact O-N 2.59Å
659S65.6Low75.1Confident85 Ų8595.4 Ų95.459%0.59452%0.515SS*.SBendtrans-72.114817356.50000111.9V657 V661V657-S659 VanDerWaalsContact C-N 3.3Å; V657-S659 WeakPolarHBondContact CG1-OG 3.37Å; S659-V661 PolarHBondContact O-N 2.83Å; S659-V661 VanDerWaalsContact O-N 3.16Å
660S67Low74.3Confident71 Ų7195.2 Ų95.250%0.49752%0.516SS..  trans-62.9118.9-178.5-174.30000111.6L662S660-L662 PolarHBondContact O-N 2.81Å; S660-L662 WeakPolarHBondContact OG-CB 3.38Å; S660-L662 WeakPolarHBondContact OG-CG 3.43Å; S660-L662 PolarHBondContact OG-N 2.97Å
661V74.4Confident73.7Confident127 Ų127100.7 Ų100.777%0.7754%0.541SS*.  trans-77.77.4174.3-70.70000113.7V657 S659V657-V661 HydrophobicContact CG1-CG1 3.87Å; S659-V661 PolarHBondContact O-N 2.83Å; S659-V661 VanDerWaalsContact O-N 3.16Å
662L75.2Confident73.3Confident81 Ų8198.4 Ų98.442%0.42453%0.532SS..SBendtrans-78155.8176-60.8177.7000111.4S660 I667 L670S660-L662 PolarHBondContact O-N 2.81Å; S660-L662 WeakPolarHBondContact OG-CB 3.38Å; S660-L662 WeakPolarHBondContact OG-CG 3.43Å; S660-L662 PolarHBondContact OG-N 2.97Å; L662-I667 HydrophobicContact CB-CG1 3.95Å; L662-L670 HydrophobicContact CD1-CD1 3.39Å
663S78.8Confident73.1Confident49 Ų4999.2 Ų99.234%0.34353%0.528SS..  trans-65.8160.6175.889.30000111.1E665 S666 I667S663-E665 WeakPolarHBondContact CB-OE2 3.46Å; S663-E665 PolarHBondContact O-N 2.88Å; S663-E665 PolarHBondContact OG-N 2.96Å; S663-E665 PolarHBondContact OG-OE2 2.9Å; S663-S666 PolarHBondContact O-N 2.87Å; S663-S666 VanDerWaalsContact O-N 3.09Å; S663-S666 PolarHBondContact OG-N 2.92Å; S663-S666 VanDerWaalsContact OG-N 3.13Å; S663-S666 PolarHBondContact OG-OG 3.49Å; S663-I667 WeakPolarHBondContact O-CG1 3.39Å; S663-I667 PolarHBondContact O-N 2.7Å
664K80.7Confident73Confident188 Ų188100.5 Ų100.582%0.81754%0.535SS*.Hα-helixtrans-59-32.4174.3-69.6-173.3177.9-176.40112.3S668K664-S668 VanDerWaalsContact O-CB 3.28Å; K664-S668 WeakPolarHBondContact O-CB 3.45Å; K664-S668 PolarHBondContact O-N 2.81Å
665E78.8Confident73.2Confident149 Ų14993.3 Ų93.370%0.69651%0.508SS*.Hα-helixtrans-68.1-45.1173.8-53.5109.516500111.2S663 I667 S668 Y669S663-E665 WeakPolarHBondContact CB-OE2 3.46Å; S663-E665 PolarHBondContact O-N 2.88Å; S663-E665 PolarHBondContact OG-N 2.96Å; S663-E665 PolarHBondContact OG-OE2 2.9Å; E665-I667 PolarHBondContact O-N 2.83Å; E665-S668 PolarHBondContact O-N 2.93Å; E665-Y669 WeakPolarHBondContact O-CB 3.28Å; E665-Y669 PolarHBondContact O-N 2.89Å
666S76.6Confident73.5Confident50 Ų5094.7 Ų94.735%0.3551%0.507SS..Hα-helixtrans-64.1-38.6176.8-59.60000112.8S663 Y669 L670S663-S666 PolarHBondContact O-N 2.87Å; S663-S666 VanDerWaalsContact O-N 3.09Å; S663-S666 PolarHBondContact OG-N 2.92Å; S663-S666 VanDerWaalsContact OG-N 3.13Å; S663-S666 PolarHBondContact OG-OG 3.49Å; S666-Y669 PolarHBondContact O-N 2.93Å; S666-L670 WeakPolarHBondContact O-CG 3.42Å; S666-L670 PolarHBondContact O-N 3.26Å
667I80.2Confident73.5Confident50 Ų5096.5 Ų96.526%0.25651%0.513SS..Hα-helixtrans-65.2-44.6173.8-66.1168.5000110.1L662 S663 E665 Y669 L670 Q671L662-I667 HydrophobicContact CB-CG1 3.95Å; S663-I667 WeakPolarHBondContact O-CG1 3.39Å; S663-I667 PolarHBondContact O-N 2.7Å; E665-I667 PolarHBondContact O-N 2.83Å; I667-Y669 VanDerWaalsContact C-N 3.32Å; I667-Y669 PolarHBondContact O-N 3.21Å; I667-L670 PolarHBondContact O-N 2.75Å; I667-Q671 HydrophobicContact CG2-CG 4.36Å; I667-Q671 VanDerWaalsContact O-CB 3.31Å; I667-Q671 WeakPolarHBondContact O-CB 3.43Å; I667-Q671 VanDerWaalsContact O-CG 3.26Å; I667-Q671 WeakPolarHBondContact O-CG 3.28Å; I667-Q671 PolarHBondContact O-N 3.49Å
668S80.7Confident73.4Confident73 Ų7395 Ų9551%0.5151%0.507SS..Hα-helixtrans-63.4-36.5175.9-170.20000112.4K664 E665 S672K664-S668 VanDerWaalsContact O-CB 3.28Å; K664-S668 WeakPolarHBondContact O-CB 3.45Å; K664-S668 PolarHBondContact O-N 2.81Å; E665-S668 PolarHBondContact O-N 2.93Å; S668-S672 WeakPolarHBondContact O-CB 3.43Å; S668-S672 PolarHBondContact O-N 3.45Å
669Y81Confident73.4Confident147 Ų14797.8 Ų97.858%0.57652%0.52SS*.Hα-helixtrans-69.4-45.2176.2-179.1-108000112.1E665 S666 I667 S672 L673E665-Y669 WeakPolarHBondContact O-CB 3.28Å; E665-Y669 PolarHBondContact O-N 2.89Å; S666-Y669 PolarHBondContact O-N 2.93Å; I667-Y669 VanDerWaalsContact C-N 3.32Å; I667-Y669 PolarHBondContact O-N 3.21Å; Y669-S672 PolarHBondContact O-N 2.91Å; Y669-S672 VanDerWaalsContact O-N 3.15Å; Y669-S672 PolarHBondContact O-OG 2.97Å; Y669-L673 HydrophobicContact CD1-CD1 4.04Å; Y669-L673 HydrophobicContact CE1-CD1 3.51Å; Y669-L673 HydrophobicContact CE1-CG 4.27Å; Y669-L673 PolarHBondContact O-N 2.7Å
670L77.3Confident73.1Confident75 Ų7596.5 Ų96.539%0.39351%0.514SS..Hα-helixtrans-61.7-44.8172-71.7176.7000111.3L662 S666 I667 S672 L673 D674L662-L670 HydrophobicContact CD1-CD1 3.39Å; S666-L670 WeakPolarHBondContact O-CG 3.42Å; S666-L670 PolarHBondContact O-N 3.26Å; I667-L670 PolarHBondContact O-N 2.75Å; L670-S672 PolarHBondContact O-N 2.83Å; L670-L673 HydrophobicContact CD2-CD1 4.45Å; L670-L673 CarbonylContact O-C 3.58Å; L670-L673 WeakPolarHBondContact O-CA 3.32Å; L670-L673 WeakPolarHBondContact O-CB 3.36Å; L670-L673 PolarHBondContact O-N 2.99Å; L670-D674 WeakPolarHBondContact O-CB 3.2Å; L670-D674 VanDerWaalsContact O-CG 3.26Å; L670-D674 PolarHBondContact O-N 3.06Å
671Q78.9Confident72.5Confident120 Ų12098.8 Ų98.856%0.56152%0.518SS*.Hα-helixtrans-61-30.9173.7-75175.6-20.500112.7I667 A675I667-Q671 HydrophobicContact CG2-CG 4.36Å; I667-Q671 VanDerWaalsContact O-CB 3.31Å; I667-Q671 WeakPolarHBondContact O-CB 3.43Å; I667-Q671 VanDerWaalsContact O-CG 3.26Å; I667-Q671 WeakPolarHBondContact O-CG 3.28Å; I667-Q671 PolarHBondContact O-N 3.49Å; Q671-A675 WeakPolarHBondContact O-CB 3.36Å; Q671-A675 PolarHBondContact O-N 2.59Å
672S78Confident71.6Confident48 Ų4895.1 Ų95.134%0.33650%0.501SS..Hα-helixtrans-73.8-32.5172.576.60000112.8S668 Y669 L670 W676S668-S672 WeakPolarHBondContact O-CB 3.43Å; S668-S672 PolarHBondContact O-N 3.45Å; Y669-S672 PolarHBondContact O-N 2.91Å; Y669-S672 VanDerWaalsContact O-N 3.15Å; Y669-S672 PolarHBondContact O-OG 2.97Å; L670-S672 PolarHBondContact O-N 2.83Å; S672-W676 WeakPolarHBondContact O-CB 3.48Å; S672-W676 PolarHBondContact O-N 2.77Å
673L74.3Confident70.2Confident80 Ų8092.4 Ų92.442%0.41949%0.493SS..Hα-helixtrans-71.1-48.6172-71.5172.7000111.1Y669 L670 A675 W676 E677Y669-L673 HydrophobicContact CD1-CD1 4.04Å; Y669-L673 HydrophobicContact CE1-CD1 3.51Å; Y669-L673 HydrophobicContact CE1-CG 4.27Å; Y669-L673 PolarHBondContact O-N 2.7Å; L670-L673 HydrophobicContact CD2-CD1 4.45Å; L670-L673 CarbonylContact O-C 3.58Å; L670-L673 WeakPolarHBondContact O-CA 3.32Å; L670-L673 WeakPolarHBondContact O-CB 3.36Å; L670-L673 PolarHBondContact O-N 2.99Å; L673-A675 PolarHBondContact O-N 3.29Å; L673-W676 PolarHBondContact O-N 3.26Å; L673-W676 VanDerWaalsContact O-N 3.12Å; L673-E677 WeakPolarHBondContact O-CB 3.47Å; L673-E677 PolarHBondContact O-N 3.25Å
674D73.6Confident68.6Low92 Ų92100 Ų10049%0.49252%0.516SS..Hα-helixtrans-57.2-38.5174-65-21.7000110.9L670 S678L670-D674 WeakPolarHBondContact O-CB 3.2Å; L670-D674 VanDerWaalsContact O-CG 3.26Å; L670-D674 PolarHBondContact O-N 3.06Å; D674-S678 WeakPolarHBondContact O-CA 3.21Å; D674-S678 WeakPolarHBondContact O-CB 2.99Å; D674-S678 PolarHBondContact O-N 3.13Å; D674-S678 PolarHBondContact O-OG 3.4Å
675A71.8Confident67Low43 Ų4398.4 Ų98.436%0.35552%0.517SS..Hα-helixtrans-72.5-38.7175.200000112.6Q671 L673 S678 D679Q671-A675 WeakPolarHBondContact O-CB 3.36Å; Q671-A675 PolarHBondContact O-N 2.59Å; L673-A675 PolarHBondContact O-N 3.29Å; A675-S678 PolarHBondContact O-N 3.19Å; A675-D679 WeakPolarHBondContact O-CB 3.19Å; A675-D679 PolarHBondContact O-N 2.64Å
676W67.7Low65.4Low206 Ų20695 Ų9578%0.7851%0.506SS*.Hα-helixtrans-66.5-40.3173.9-86.951.4000111.9S672 L673 A680S672-W676 WeakPolarHBondContact O-CB 3.48Å; S672-W676 PolarHBondContact O-N 2.77Å; L673-W676 PolarHBondContact O-N 3.26Å; L673-W676 VanDerWaalsContact O-N 3.12Å; W676-A680 WeakPolarHBondContact O-CB 3.07Å; W676-A680 PolarHBondContact O-N 2.68Å
677E59.8Low63.7Low124 Ų12499.8 Ų99.858%0.57953%0.533SS*.Hα-helixtrans-69.4-38.4174-171.6161.3-154.700110.9L673 A680 M681L673-E677 WeakPolarHBondContact O-CB 3.47Å; L673-E677 PolarHBondContact O-N 3.25Å; E677-A680 PolarHBondContact O-N 2.72Å; E677-M681 HydrophobicContact CG-CG 4.37Å; E677-M681 VanDerWaalsContact O-CB 3.24Å; E677-M681 WeakPolarHBondContact O-CB 3.43Å; E677-M681 WeakPolarHBondContact O-CG 3.36Å; E677-M681 PolarHBondContact O-N 3.31Å
678S60.2Low62.1Low71 Ų71104.3 Ų104.350%0.49755%0.55SS.*Hα-helixtrans-68.5-40.3174.6-63.60000113.2D674 A675 M681 A682D674-S678 WeakPolarHBondContact O-CA 3.21Å; D674-S678 WeakPolarHBondContact O-CB 2.99Å; D674-S678 PolarHBondContact O-N 3.13Å; D674-S678 PolarHBondContact O-OG 3.4Å; A675-S678 PolarHBondContact O-N 3.19Å; S678-M681 PolarHBondContact O-N 2.98Å; S678-A682 WeakPolarHBondContact O-CA 3.05Å; S678-A682 WeakPolarHBondContact O-CB 3.44Å; S678-A682 PolarHBondContact O-N 3.26Å
679D61.4Low60.4Low125 Ų125111.7 Ų111.767%0.66857%0.567SS**Hα-helixtrans-72-34.1176.2-82.2-25.1000111.3A675 G683A675-D679 WeakPolarHBondContact O-CB 3.19Å; A675-D679 PolarHBondContact O-N 2.64Å; D679-G683 PolarHBondContact O-N 2.93Å
680A59.4Low58.7Low58 Ų58111.6 Ų111.648%0.47958%0.577SS.*Hα-helixtrans-65.2-45.2171.100000111.8W676 E677 G683 Y684W676-A680 WeakPolarHBondContact O-CB 3.07Å; W676-A680 PolarHBondContact O-N 2.68Å; E677-A680 PolarHBondContact O-N 2.72Å; A680-G683 PolarHBondContact O-N 3.15Å; A680-Y684 WeakPolarHBondContact O-CD2 3.17Å
681M54.6Low57.7Low118 Ų118117 Ų11758%0.58160%0.6SS**Hα-helixtrans-80.9-33.8-177.7-68.8-66.3-175.500113.7E677 S678 G683 Y684 D685E677-M681 HydrophobicContact CG-CG 4.37Å; E677-M681 VanDerWaalsContact O-CB 3.24Å; E677-M681 WeakPolarHBondContact O-CB 3.43Å; E677-M681 WeakPolarHBondContact O-CG 3.36Å; E677-M681 PolarHBondContact O-N 3.31Å; S678-M681 PolarHBondContact O-N 2.98Å; M681-G683 PolarHBondContact O-N 3.48Å; M681-Y684 WeakPolarHBondContact O-CB 3.38Å; M681-Y684 PolarHBondContact O-N 2.83Å; M681-D685 PolarHBondContact O-N 3.46Å
682A55.5Low56.9Low50 Ų50118.3 Ų118.341%0.41361%0.606SS.*Hα-helixtrans-66.1-20170.200000111.7S678 Y684 T686S678-A682 WeakPolarHBondContact O-CA 3.05Å; S678-A682 WeakPolarHBondContact O-CB 3.44Å; S678-A682 PolarHBondContact O-N 3.26Å; A682-Y684 PolarHBondContact O-N 2.94Å; A682-T686 PolarHBondContact O-N 2.94Å; A682-T686 PolarHBondContact O-OG1 3.07Å
683G44.8Very low56.6Low25 Ų25121.8 Ų121.826%0.25862%0.617SS.*Hα-helixtrans-65.3-16.8165.100000115D679 A680 M681D679-G683 PolarHBondContact O-N 2.93Å; A680-G683 PolarHBondContact O-N 3.15Å; M681-G683 PolarHBondContact O-N 3.48Å
684Y46.3Very low56.9Low207 Ų207123 Ų12381%0.81263%0.63SS**Hα-helixtrans-102.6-23.5-178.9-86.5-92.5000114.9A680 M681 A682A680-Y684 WeakPolarHBondContact O-CD2 3.17Å; M681-Y684 WeakPolarHBondContact O-CB 3.38Å; M681-Y684 PolarHBondContact O-N 2.83Å; A682-Y684 PolarHBondContact O-N 2.94Å
685D46.3Very low57.5Low156 Ų156122.6 Ų122.683%0.83463%0.632SS**Hα-helixtrans-113.79.4-179.9-157.532.1000113.5M681M681-D685 PolarHBondContact O-N 3.46Å
686T46Very low58.3Low77 Ų77123.2 Ų123.247%0.47263%0.633SS.*SBendtrans-106.1138.916258.20000109.9A682 K688A682-T686 PolarHBondContact O-N 2.94Å; A682-T686 PolarHBondContact O-OG1 3.07Å; T686-K688 PolarHBondContact O-N 3.15Å
687V40.3Very low59.5Low151 Ų151116 Ų11692%0.91562%0.618SS**  trans-73.772.9177.1-172.60000109.8R689V687-R689 PolarHBondContact O-N 2.74Å
688K45.3Very low61.2Low144 Ų144110.7 Ų110.763%0.62659%0.594SS**  trans-65.3127.2158-69.5-176.3-179.8177.30106.9T686T686-K688 PolarHBondContact O-N 3.15Å
689R45.3Very low62.8Low228 Ų228110.2 Ų110.286%0.8659%0.59SS**  trans-54.8149.2171.8-76.6178.2170.4142.4-3.7109.6V687 E691V687-R689 PolarHBondContact O-N 2.74Å; R689-E691 PolarHBondContact O-N 3.5Å
690D46.2Very low64.3Low145 Ų145105.7 Ų105.778%0.77557%0.565SS**  trans-58.991.5-175.7-45.5-100.3000111.9E692D690-E692 HydrophobicContact CB-CG 4.25Å; D690-E692 PolarHBondContact O-N 3.06Å; D690-E692 VanDerWaalsContact O-N 3.15Å
691E56.4Low65.8Low188 Ų188106.9 Ų106.988%0.87956%0.563SS**  trans-74.785.5148.3-68.4-164.1155.200106.2R689 E693R689-E691 PolarHBondContact O-N 3.5Å; E691-E693 PolarHBondContact O-N 3.23Å; E691-E693 VanDerWaalsContact O-N 3.16Å
692E62.5Low67.7Low148 Ų148104.9 Ų104.969%0.69255%0.554SS**PPolyproline II helixtrans-54.1118.6176.1-62.6-174.614000109.2D690 Y724D690-E692 HydrophobicContact CB-CG 4.25Å; D690-E692 PolarHBondContact O-N 3.06Å; D690-E692 VanDerWaalsContact O-N 3.15Å; E692-Y724 HydrophobicContact CB-CE1 4.23Å
693E70.5Confident69.5Low122 Ų122107.8 Ų107.857%0.5756%0.562SS**PPolyproline II helixtrans-56.2142.2174.3-72.6-171.612700109.5E691 P695 Y724E691-E693 PolarHBondContact O-N 3.23Å; E691-E693 VanDerWaalsContact O-N 3.16Å; E693-P695 VanDerWaalsContact O-N 3.12Å; E693-Y724 HydrophobicContact CB-CD1 4.4Å; E693-Y724 HydrophobicContact CB-CD2 3.68Å; E693-Y724 HydrophobicContact CB-CE2 4.17Å; E693-Y724 HydrophobicContact CB-CG 3.8Å; E693-Y724 HydrophobicContact CG-CD2 4.31Å; E693-Y724 WeakPolarHBondContact O-CD1 3.46Å; E693-Y724 WeakPolarHBondContact O-CE1 3.35Å
694P80.7Confident71.9Confident105 Ų105107 Ų10768%0.68255%0.553SS**PPolyproline II helixtrans-56.7123.6-177.622.4-33.2000109.9C696P694-C696 PolarHBondContact O-N 3.13Å; P694-C696 VanDerWaalsContact O-N 3.14Å; P694-C696 PolarHBondContact O-SG 2.98Å; P694-C696 VanDerWaalsContact O-SG 3.37Å
695P86.3Confident74.2Confident83 Ų83102.5 Ų102.554%0.53955%0.546SS..PPolyproline II helixtrans-63.6121.2-168.123.5-34.2000110.6E693 Y724 M779E693-P695 VanDerWaalsContact O-N 3.12Å; P695-Y724 CarbonylContact C-O 3.48Å; P695-Y724 WeakPolarHBondContact CA-O 3.45Å; P695-M779 HydrophobicContact CB-CE 4.1Å; P695-M779 HydrophobicContact CB-CG 3.91Å; P695-M779 HydrophobicContact CB-SD 3.92Å; P695-M779 HydrophobicContact CG-CE 4.45Å
696C89.5Confident76.5Confident56 Ų5697.9 Ų97.938%0.37853%0.529SS..EExtended strand (participates in β ladder)trans-133.3141.2-169.949.50000111.4P694 Y724 N777P694-C696 PolarHBondContact O-N 3.13Å; P694-C696 VanDerWaalsContact O-N 3.14Å; P694-C696 PolarHBondContact O-SG 2.98Å; P694-C696 VanDerWaalsContact O-SG 3.37Å; C696-Y724 PolarHBondContact N-O 2.83Å; C696-Y724 PolarHBondContact O-N 2.84Å; C696-Y724 VanDerWaalsContact O-N 3.15Å; C696-Y724 VanDerWaalsContact O-O 3.05Å; C696-Y724 PolarHBondContact SG-N 3.48Å; C696-N777 PolarHBondContact O-ND2 2.68Å
697A92.6Very high78.8Confident56 Ų5695.8 Ų95.846%0.46352%0.516SS..EExtended strand (participates in β ladder)trans-60.2151.7174.500000110.6M779A697-M779 HydrophobicContact CB-CB 4.46Å
698P94.2Very high81.4Confident11 Ų1192.2 Ų92.27%0.07150%0.495CS..EExtended strand (participates in β ladder)trans-67.5148.4-176.828.2-33.8000112G722 P727 A775 N777 G780 A782P698-G722 VanDerWaalsContact CA-O 3.25Å; P698-G722 WeakPolarHBondContact CA-O 3.36Å; P698-P727 HydrophobicContact CB-CB 3.9Å; P698-P727 HydrophobicContact CB-CG 4.13Å; P698-A775 HydrophobicContact CB-CB 3.86Å; P698-A775 HydrophobicContact CG-CB 4.41Å; P698-A775 VanDerWaalsContact CG-O 3.29Å; P698-A775 WeakPolarHBondContact CG-O 3.32Å; P698-N777 WeakPolarHBondContact CD-OD1 3.32Å; P698-G780 VanDerWaalsContact CD-C 3.42Å; P698-G780 WeakPolarHBondContact CD-O 3.32Å; P698-G780 WeakPolarHBondContact CG-O 3.13Å; P698-A782 HydrophobicContact CB-CB 4.36Å; P698-A782 HydrophobicContact CG-CB 4.11Å; P698-A782 VanDerWaalsContact O-CB 3.28Å; P698-A782 WeakPolarHBondContact O-CB 3.24Å
699S94Very high83.7Confident61 Ų6186.6 Ų86.643%0.42747%0.473SS..EExtended strand (participates in β ladder)trans-138.5138.2175.356.80000110.1D701 A721 G722S699-D701 PolarHBondContact O-N 2.67Å; S699-A721 CarbonylContact O-C 3.49Å; S699-A721 WeakPolarHBondContact O-CA 3.28Å; S699-G722 PolarHBondContact N-O 2.82Å; S699-G722 PolarHBondContact O-N 2.96Å
700F94.2Very high85.9Confident31 Ų3178.5 Ų78.514%0.13645%0.449CS..EExtended strand (participates in β ladder)trans-83.6106.7174.4-77.9-73.6000111I702 L703 V719 K720 A721 A773 A775 A782 A784F700-I702 VanDerWaalsContact C-N 3.33Å; F700-L703 HydrophobicContact CB-CD2 3.72Å; F700-L703 HydrophobicContact CG-CD2 4.49Å; F700-V719 HydrophobicContact CD1-CB 3.9Å; F700-V719 HydrophobicContact CD1-CG1 4.36Å; F700-V719 HydrophobicContact CD1-CG2 4.44Å; F700-V719 HydrophobicContact CE1-CB 3.75Å; F700-V719 HydrophobicContact CE1-CG1 4.21Å; F700-V719 HydrophobicContact CE1-CG2 3.83Å; F700-K720 CarbonylContact C-O 3.6Å; F700-K720 VanDerWaalsContact CA-O 3.31Å; F700-K720 WeakPolarHBondContact CA-O 3.34Å; F700-A721 HydrophobicContact CD1-CB 3.99Å; F700-A721 HydrophobicContact CE1-CB 3.97Å; F700-A773 HydrophobicContact CE1-CB 4.15Å; F700-A773 HydrophobicContact CZ-CB 3.84Å; F700-A775 HydrophobicContact CE1-CB 4.21Å; F700-A775 HydrophobicContact CE2-CB 4.01Å; F700-A775 HydrophobicContact CZ-CB 3.69Å; F700-A782 HydrophobicContact CD2-CB 4.21Å; F700-A782 HydrophobicContact CE2-CB 4.3Å; F700-A782 WeakPolarHBondContact CE2-O 3.48Å; F700-A784 HydrophobicContact CD2-CB 3.65Å; F700-A784 HydrophobicContact CE2-CB 3.89Å; F700-A784 HydrophobicContact CG-CB 4.01Å; F700-A784 HydrophobicContact CZ-CB 4.44Å
701D90.9Very high88Confident82 Ų8275 Ų7544%0.43943%0.428SS..EExtended strand (participates in β ladder)trans-70.4-32.7172.6-53.4-9000111.3S699 K720S699-D701 PolarHBondContact O-N 2.67Å; D701-K720 HydrophobicContact CB-CB 4.28Å; D701-K720 HydrophobicContact CB-CD 3.99Å; D701-K720 HydrophobicContact CB-CG 4.14Å; D701-K720 PolarHBondContact N-O 3.34Å; D701-K720 VanDerWaalsContact OD2-CE 3.24Å; D701-K720 WeakPolarHBondContact OD2-CE 3.38Å; D701-K720 IonicContact OD2-NZ 3.43Å; D701-K720 PolarHBondContact OD2-NZ 3.38Å
702I93.1Very high89.5Confident77 Ų7767 Ų6740%0.39540%0.396SS..EExtended strand (participates in β ladder)trans-128.8122174.9-55.8174.2000108.2F700 L718 V719 K720F700-I702 VanDerWaalsContact C-N 3.33Å; I702-L718 HydrophobicContact CB-CD2 4.24Å; I702-L718 HydrophobicContact CD1-CD2 4.05Å; I702-L718 HydrophobicContact CG2-CD2 3.7Å; I702-V719 WeakPolarHBondContact O-CA 3.47Å; I702-K720 HydrophobicContact CB-CB 3.85Å; I702-K720 HydrophobicContact CD1-CB 3.87Å; I702-K720 HydrophobicContact CD1-CD 4.29Å; I702-K720 HydrophobicContact CG1-CB 3.83Å; I702-K720 PolarHBondContact N-O 3.15Å; I702-K720 PolarHBondContact O-N 3.45Å; I702-K720 VanDerWaalsContact O-N 3.14Å
703L94.6Very high90.8Very high111 Ų11161.6 Ų61.658%0.58138%0.375SS*.PPolyproline II helixtrans-90.4150.8178.1-62.3171.8000110.9F700 V705 A784F700-L703 HydrophobicContact CB-CD2 3.72Å; F700-L703 HydrophobicContact CG-CD2 4.49Å; L703-V705 PolarHBondContact O-N 3.1Å; L703-A784 HydrophobicContact CD2-CB 3.62Å
704P94.1Very high91.9Very high9 Ų959.5 Ų59.56%0.05837%0.372CS..PPolyproline II helixtrans-77.7125.2-178.231.5-30.2000110.9F717 V719 W731 A784 T786P704-F717 HydrophobicContact CB-CB 4.49Å; P704-F717 HydrophobicContact CB-CD1 4.48Å; P704-V719 HydrophobicContact CB-CG1 3.71Å; P704-V719 HydrophobicContact CG-CG1 3.82Å; P704-W731 HydrophobicContact CB-CH2 4.37Å; P704-W731 HydrophobicContact CB-CZ3 4.41Å; P704-A784 HydrophobicContact CG-CB 4.17Å; P704-T786 HydrophobicContact CB-CG2 3.75Å; P704-T786 HydrophobicContact CG-CG2 3.9Å; P704-T786 WeakPolarHBondContact O-CB 3.36Å; P704-T786 PolarHBondContact O-OG1 2.79Å; P704-T786 VanDerWaalsContact O-OG1 3.08Å
705V94.2Very high92.5Very high112 Ų11254.7 Ų54.768%0.67934%0.341SS*.PPolyproline II helixtrans-75.7145.8-178.9-175.20000110.7L703 F717 T786L703-V705 PolarHBondContact O-N 3.1Å; V705-F717 VanDerWaalsContact O-CD1 3.29Å; V705-F717 WeakPolarHBondContact O-CD1 3.28Å; V705-F717 VanDerWaalsContact O-CE1 3.23Å; V705-F717 WeakPolarHBondContact O-CE1 3.12Å; V705-T786 VanDerWaalsContact C-OG1 3.31Å; V705-T786 PolarHBondContact O-OG1 2.94Å
706A94.9Very high92.8Very high58 Ų5856.7 Ų56.748%0.47934%0.341SS..PPolyproline II helixtrans-73.2142.4175.300000111.1T786 I787A706-T786 VanDerWaalsContact CA-OG1 3.23Å; A706-T786 WeakPolarHBondContact CA-OG1 3.43Å; A706-T786 PolarHBondContact N-OG1 2.94Å; A706-T786 VanDerWaalsContact N-OG1 3.11Å; A706-I787 WeakPolarHBondContact CA-O 3.4Å; A706-I787 HydrophobicContact CB-CG1 3.89Å
707V94.4Very high93.1Very high33 Ų3354.2 Ų54.220%0.232%0.324CS..EExtended strand (participates in β ladder)trans-131133.7-172.41740000110.3V709 A715 F717 I787 L788 I789V707-V709 HydrophobicContact CG1-CG1 3.85Å; V707-A715 HydrophobicContact CG1-CB 4.25Å; V707-F717 HydrophobicContact CB-CE1 4Å; V707-F717 HydrophobicContact CB-CZ 3.83Å; V707-F717 HydrophobicContact CG2-CD1 4.36Å; V707-F717 HydrophobicContact CG2-CE1 3.7Å; V707-F717 HydrophobicContact CG2-CZ 3.91Å; V707-I787 PolarHBondContact N-O 3.17Å; V707-L788 HydrophobicContact CB-CD1 4.13Å; V707-L788 HydrophobicContact CG1-CD1 3.99Å; V707-L788 CarbonylContact O-C 3.51Å; V707-L788 WeakPolarHBondContact O-CA 3.33Å; V707-I789 PolarHBondContact O-N 3.42Å
708T95.1Very high93.2Very high77 Ų7755.1 Ų55.147%0.47232%0.321SS..EExtended strand (participates in β ladder)trans-114.7130.5169.2-55.30000109.2I789 E791T708-I789 WeakPolarHBondContact CA-O 3.29Å; T708-I789 HydrophobicContact CG2-CB 4.07Å; T708-I789 HydrophobicContact CG2-CG2 4.13Å; T708-E791 HydrophobicContact CG2-CG 3.88Å
709V93.3Very high93.3Very high26 Ų2654.6 Ų54.616%0.15832%0.317CS..EExtended strand (participates in β ladder)trans-146.5157.2-178.4-75.70000110.6V707 A715 V763 L788 I789 I790 E791V707-V709 HydrophobicContact CG1-CG1 3.85Å; V709-A715 HydrophobicContact CG2-CB 4.29Å; V709-V763 HydrophobicContact CG2-CG1 3.98Å; V709-V763 HydrophobicContact CG2-CG2 3.96Å; V709-L788 HydrophobicContact CG2-CD1 3.68Å; V709-I789 PolarHBondContact N-O 3.46Å; V709-I790 CarbonylContact O-C 3.43Å; V709-I790 WeakPolarHBondContact O-CA 3.32Å; V709-E791 PolarHBondContact O-N 3.04Å
710T91.3Very high93.3Very high58 Ų5855.5 Ų55.536%0.35631%0.313SS..EExtended strand (participates in β ladder)trans-80.3152169.350.70000112G712 S713 V763 E791T710-G712 PolarHBondContact O-N 2.92Å; T710-S713 WeakPolarHBondContact O-CB 3.46Å; T710-S713 PolarHBondContact O-N 2.82Å; T710-S713 VanDerWaalsContact O-N 3.11Å; T710-S713 PolarHBondContact O-OG 2.68Å; T710-S713 PolarHBondContact OG1-OG 2.94Å; T710-V763 WeakPolarHBondContact O-CG2 3.37Å; T710-E791 CarbonylContact C-O 3.57Å; T710-E791 WeakPolarHBondContact CA-O 3.22Å; T710-E791 HydrophobicContact CG2-CB 4.48Å
711E90.6Very high93.2Very high70 Ų7054.2 Ų54.233%0.32731%0.309SS..THydrogen-bonded Turntrans-43.9134.1170.8177.7166.7-155.200112.6S713 P766 I790 E791 Q793E711-S713 VanDerWaalsContact C-N 3.29Å; E711-S713 PolarHBondContact O-N 3.28Å; E711-P766 HydrophobicContact CB-CG 4.32Å; E711-P766 VanDerWaalsContact OE2-CG 3.3Å; E711-P766 WeakPolarHBondContact OE2-CG 3.37Å; E711-I790 HydrophobicContact CB-CG2 4.31Å; E711-E791 PolarHBondContact N-O 3.32Å; E711-Q793 HydrophobicContact CB-CB 4.14Å
712G87.6Confident93.2Very high21 Ų2151.3 Ų51.322%0.21630%0.297CS..THydrogen-bonded Turntrans80.4-8.3-178.700000116.5T710 R762 V763T710-G712 PolarHBondContact O-N 2.92Å; G712-R762 WeakPolarHBondContact O-CG 3.32Å; G712-R762 PolarHBondContact O-NH1 3.12Å; G712-V763 WeakPolarHBondContact CA-O 3.28Å; G712-V763 PolarHBondContact N-O 3.16Å
713S91.1Very high93Very high35 Ų3548.5 Ų48.525%0.24529%0.288CS..  trans-78.7159174.5-64.60000112.9T710 E711 R762 V763T710-S713 WeakPolarHBondContact O-CB 3.46Å; T710-S713 PolarHBondContact O-N 2.82Å; T710-S713 VanDerWaalsContact O-N 3.11Å; T710-S713 PolarHBondContact O-OG 2.68Å; T710-S713 PolarHBondContact OG1-OG 2.94Å; E711-S713 VanDerWaalsContact C-N 3.29Å; E711-S713 PolarHBondContact O-N 3.28Å; S713-R762 CarbonylContact O-C 3.57Å; S713-R762 WeakPolarHBondContact O-CA 3.42Å; S713-V763 WeakPolarHBondContact O-CG2 3.44Å; S713-V763 PolarHBondContact O-N 2.76Å
714P93.1Very high92.6Very high78 Ų7846.3 Ų46.351%0.50627%0.272SS..  trans-78.7153.717232.8-34.8000112F760P714-F760 WeakPolarHBondContact CA-O 3.47Å; P714-F760 WeakPolarHBondContact CB-O 3.35Å
715A93.4Very high92.3Very high4 Ų448.5 Ų48.53%0.03329%0.286CS..EExtended strand (participates in β ladder)trans-140.3144.417400000110.9V707 V709 F717 F760 V763 L788V707-A715 HydrophobicContact CG1-CB 4.25Å; V709-A715 HydrophobicContact CG2-CB 4.29Å; A715-F717 HydrophobicContact CB-CE2 4.43Å; A715-F760 HydrophobicContact CB-CB 4.29Å; A715-F760 HydrophobicContact CB-CD2 4.16Å; A715-F760 PolarHBondContact N-O 2.72Å; A715-F760 VanDerWaalsContact N-O 3.07Å; A715-F760 PolarHBondContact O-N 2.86Å; A715-V763 HydrophobicContact CB-CG1 3.8Å; A715-L788 HydrophobicContact CB-CD1 3.78Å; A715-L788 HydrophobicContact CB-CD2 4.29Å
716K93.6Very high92.1Very high125 Ų12550.1 Ų50.154%0.54328%0.284SS..EExtended strand (participates in β ladder)trans-135.2140.3-177.2-54-164.5-172.8-148.50112.1L758 E759K716-L758 CarbonylContact C-O 3.52Å; K716-L758 WeakPolarHBondContact CA-O 3.34Å; K716-E759 HydrophobicContact CD-CG 4.25Å; K716-E759 WeakPolarHBondContact CE-OE1 3.5Å; K716-E759 WeakPolarHBondContact CE-OE2 3.4Å; K716-E759 HydrophobicContact CG-CB 4.27Å; K716-E759 HydrophobicContact CG-CG 4.07Å; K716-E759 IonicContact NZ-OE1 3.43Å; K716-E759 PolarHBondContact NZ-OE1 2.93Å; K716-E759 IonicContact NZ-OE2 3.53Å; K716-E759 PolarHBondContact NZ-OE2 2.78Å
717F95.4Very high91.8Very high4 Ų447.5 Ų47.52%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-128.5130.7175.2-59.9-86.8000109.4P704 V705 V707 A715 W731 N757 L758 F760 I771 T786 L788P704-F717 HydrophobicContact CB-CB 4.49Å; P704-F717 HydrophobicContact CB-CD1 4.48Å; V705-F717 VanDerWaalsContact O-CD1 3.29Å; V705-F717 WeakPolarHBondContact O-CD1 3.28Å; V705-F717 VanDerWaalsContact O-CE1 3.23Å; V705-F717 WeakPolarHBondContact O-CE1 3.12Å; V707-F717 HydrophobicContact CB-CE1 4Å; V707-F717 HydrophobicContact CB-CZ 3.83Å; V707-F717 HydrophobicContact CG2-CD1 4.36Å; V707-F717 HydrophobicContact CG2-CE1 3.7Å; V707-F717 HydrophobicContact CG2-CZ 3.91Å; A715-F717 HydrophobicContact CB-CE2 4.43Å; F717-W731 HydrophobicContact CB-CH2 3.54Å; F717-W731 HydrophobicContact CB-CZ3 3.77Å; F717-N757 CarbonylContact O-C 3.57Å; F717-N757 VanDerWaalsContact O-CA 3.28Å; F717-N757 WeakPolarHBondContact O-CA 3.14Å; F717-L758 HydrophobicContact CB-CB 4.42Å; F717-L758 PolarHBondContact N-O 3.02Å; F717-L758 PolarHBondContact O-N 2.84Å; F717-F760 HydrophobicContact CD2-CD2 4.44Å; F717-F760 HydrophobicContact CD2-CE2 4.07Å; F717-F760 HydrophobicContact CE2-CD2 4.17Å; F717-F760 AromaticContact CE2-CE2 3.8Å; F717-F760 HydrophobicContact CE2-CE2 3.8Å; F717-I771 HydrophobicContact CD1-CG2 4.49Å; F717-I771 HydrophobicContact CD2-CG2 4.3Å; F717-I771 HydrophobicContact CE1-CG1 4.39Å; F717-I771 HydrophobicContact CE2-CG1 4.08Å; F717-I771 HydrophobicContact CG-CG2 4.22Å; F717-I771 HydrophobicContact CZ-CG1 4.02Å; F717-T786 HydrophobicContact CD1-CG2 3.65Å; F717-T786 HydrophobicContact CE1-CG2 3.7Å; F717-L788 HydrophobicContact CE2-CB 4.27Å; F717-L788 HydrophobicContact CE2-CD1 4.37Å; F717-L788 HydrophobicContact CE2-CD2 4.15Å; F717-L788 HydrophobicContact CE2-CG 4.5Å; F717-L788 HydrophobicContact CZ-CB 3.74Å; F717-L788 HydrophobicContact CZ-CD1 4.01Å; F717-L788 HydrophobicContact CZ-CD2 4.39Å; F717-L788 HydrophobicContact CZ-CG 4.25Å
718L94.7Very high91.6Very high75 Ų7552.8 Ų52.839%0.39328%0.283SS..EExtended strand (participates in β ladder)trans-116.4138.9177.8-177.5154.8000109.2I702 I755 N757I702-L718 HydrophobicContact CB-CD2 4.24Å; I702-L718 HydrophobicContact CD1-CD2 4.05Å; I702-L718 HydrophobicContact CG2-CD2 3.7Å; L718-I755 HydrophobicContact CG-CG2 4.32Å; L718-N757 VanDerWaalsContact CB-OD1 3.3Å; L718-N757 WeakPolarHBondContact CB-OD1 3.35Å; L718-N757 VanDerWaalsContact CD1-OD1 3.27Å; L718-N757 WeakPolarHBondContact CD1-OD1 3.31Å; L718-N757 WeakPolarHBondContact CG-OD1 3.38Å
719V95.3Very high91.5Very high0 Ų049.5 Ų49.50%026%0.262CS..EExtended strand (participates in β ladder)trans-134.5153.9166.5-65.70000111F700 I702 P704 I729 W731 I755 S756 A773F700-V719 HydrophobicContact CD1-CB 3.9Å; F700-V719 HydrophobicContact CD1-CG1 4.36Å; F700-V719 HydrophobicContact CD1-CG2 4.44Å; F700-V719 HydrophobicContact CE1-CB 3.75Å; F700-V719 HydrophobicContact CE1-CG1 4.21Å; F700-V719 HydrophobicContact CE1-CG2 3.83Å; I702-V719 WeakPolarHBondContact O-CA 3.47Å; P704-V719 HydrophobicContact CB-CG1 3.71Å; P704-V719 HydrophobicContact CG-CG1 3.82Å; V719-I729 HydrophobicContact CG2-CD1 4.2Å; V719-I729 HydrophobicContact CG2-CG2 3.96Å; V719-W731 HydrophobicContact CG1-CH2 3.85Å; V719-W731 HydrophobicContact CG1-CZ2 4.29Å; V719-W731 HydrophobicContact CG2-CH2 4.12Å; V719-W731 HydrophobicContact CG2-CZ2 3.69Å; V719-I755 CarbonylContact O-C 3.57Å; V719-I755 WeakPolarHBondContact O-CA 3.41Å; V719-S756 PolarHBondContact N-O 3.31Å; V719-S756 PolarHBondContact O-N 2.85Å; V719-A773 HydrophobicContact CB-CB 4.48Å; V719-A773 HydrophobicContact CG1-CB 3.83Å; V719-A773 HydrophobicContact CG2-CB 4.05Å
720K94.4Very high91.5Very high80 Ų8051.6 Ų51.635%0.34827%0.269SS..EExtended strand (participates in β ladder)trans-127.6128.4167.5-178.5-175178.1-129.20108.7F700 D701 I702 G754 I755F700-K720 CarbonylContact C-O 3.6Å; F700-K720 VanDerWaalsContact CA-O 3.31Å; F700-K720 WeakPolarHBondContact CA-O 3.34Å; D701-K720 HydrophobicContact CB-CB 4.28Å; D701-K720 HydrophobicContact CB-CD 3.99Å; D701-K720 HydrophobicContact CB-CG 4.14Å; D701-K720 PolarHBondContact N-O 3.34Å; D701-K720 VanDerWaalsContact OD2-CE 3.24Å; D701-K720 WeakPolarHBondContact OD2-CE 3.38Å; D701-K720 IonicContact OD2-NZ 3.43Å; D701-K720 PolarHBondContact OD2-NZ 3.38Å; I702-K720 HydrophobicContact CB-CB 3.85Å; I702-K720 HydrophobicContact CD1-CB 3.87Å; I702-K720 HydrophobicContact CD1-CD 4.29Å; I702-K720 HydrophobicContact CG1-CB 3.83Å; I702-K720 PolarHBondContact N-O 3.15Å; I702-K720 PolarHBondContact O-N 3.45Å; I702-K720 VanDerWaalsContact O-N 3.14Å; K720-G754 CarbonylContact C-O 3.59Å; K720-G754 VanDerWaalsContact CA-O 3.32Å; K720-G754 WeakPolarHBondContact CA-O 3.34Å; K720-I755 HydrophobicContact CB-CG1 4.17Å; K720-I755 HydrophobicContact CD-CG1 4.37Å; K720-I755 HydrophobicContact CG-CG1 3.96Å
721A92.3Very high91.6Very high4 Ų448.9 Ų48.93%0.03325%0.253CS..EExtended strand (participates in β ladder)trans-117.6121.6174.500000111.6S699 F700 P727 I729 G754 A775S699-A721 CarbonylContact O-C 3.49Å; S699-A721 WeakPolarHBondContact O-CA 3.28Å; F700-A721 HydrophobicContact CD1-CB 3.99Å; F700-A721 HydrophobicContact CE1-CB 3.97Å; A721-P727 HydrophobicContact CB-CG 3.92Å; A721-I729 HydrophobicContact CB-CD1 3.93Å; A721-I729 HydrophobicContact CB-CG1 4.22Å; A721-G754 PolarHBondContact N-O 2.74Å; A721-A775 HydrophobicContact CB-CB 3.62Å
722G90.3Very high91.7Very high20 Ų2047.4 Ų47.421%0.20624%0.244CC..EExtended strand (participates in β ladder)trans-81.9173.3162.200000111.9P698 S699P698-G722 VanDerWaalsContact CA-O 3.25Å; P698-G722 WeakPolarHBondContact CA-O 3.36Å; S699-G722 PolarHBondContact N-O 2.82Å; S699-G722 PolarHBondContact O-N 2.96Å
723G89Confident91.9Very high19 Ų1947.3 Ų47.320%0.19624%0.239CC..EExtended strand (participates in β ladder)trans130.9147.8178.900000112.9P725 K726 P727G723-P725 CarbonylContact O-C 3.47Å; G723-K726 WeakPolarHBondContact O-CA 3.4Å; G723-P727 VanDerWaalsContact O-CD 3.32Å; G723-P727 WeakPolarHBondContact O-CD 3.39Å
724Y87Confident91.8Very high65 Ų6550.2 Ų50.226%0.25525%0.251SS..EExtended strand (participates in β ladder)trans-127.4127.7-179-166.4-87.1000111.5E692 E693 P695 C696 N777E692-Y724 HydrophobicContact CB-CE1 4.23Å; E693-Y724 HydrophobicContact CB-CD1 4.4Å; E693-Y724 HydrophobicContact CB-CD2 3.68Å; E693-Y724 HydrophobicContact CB-CE2 4.17Å; E693-Y724 HydrophobicContact CB-CG 3.8Å; E693-Y724 HydrophobicContact CG-CD2 4.31Å; E693-Y724 WeakPolarHBondContact O-CD1 3.46Å; E693-Y724 WeakPolarHBondContact O-CE1 3.35Å; P695-Y724 CarbonylContact C-O 3.48Å; P695-Y724 WeakPolarHBondContact CA-O 3.45Å; C696-Y724 PolarHBondContact N-O 2.83Å; C696-Y724 PolarHBondContact O-N 2.84Å; C696-Y724 VanDerWaalsContact O-N 3.15Å; C696-Y724 VanDerWaalsContact O-O 3.05Å; C696-Y724 PolarHBondContact SG-N 3.48Å; Y724-N777 PolarHBondContact O-ND2 2.77Å
725P88.2Confident91.6Very high54 Ų5449.3 Ų49.335%0.35126%0.257SS..SBendcis-61.4153.9-3.7-23.935.3000113.2G723 N777G723-P725 CarbonylContact O-C 3.47Å; P725-N777 WeakPolarHBondContact O-CB 3.26Å; P725-N777 PolarHBondContact O-ND2 3.45Å
726K88.3Confident91.3Very high146 Ų14656.6 Ų56.664%0.63529%0.29SS*.PPolyproline II helixtrans-51.1120.4-173.6-165.5166.9-174.5171.10112.2G723 G753G723-K726 WeakPolarHBondContact O-CA 3.4Å; K726-G753 VanDerWaalsContact CE-C 3.43Å
727P90.3Very high91.1Very high3 Ų355.3 Ų55.32%0.01929%0.289CS..PPolyproline II helixtrans-75.8151.9-169.129.9-36.9000113.7P698 A721 G723 A775 R776 N777P698-P727 HydrophobicContact CB-CB 3.9Å; P698-P727 HydrophobicContact CB-CG 4.13Å; A721-P727 HydrophobicContact CB-CG 3.92Å; G723-P727 VanDerWaalsContact O-CD 3.32Å; G723-P727 WeakPolarHBondContact O-CD 3.39Å; P727-A775 HydrophobicContact CB-CB 4.17Å; P727-A775 HydrophobicContact CG-CB 4.48Å; P727-R776 CarbonylContact C-O 3.59Å; P727-R776 VanDerWaalsContact CA-O 3.3Å; P727-R776 WeakPolarHBondContact CA-O 3.19Å; P727-N777 HydrophobicContact CB-CB 4.23Å
728K90.4Very high90.7Very high144 Ų14456 Ų5663%0.62629%0.292SS*.EExtended strand (participates in β ladder)trans-93.1129.8170.3-64.3-177.9-179.3177.40109.3F730 A775 R776K728-F730 HydrophobicContact CB-CE2 3.79Å; K728-F730 HydrophobicContact CB-CZ 4.06Å; K728-A775 WeakPolarHBondContact O-CA 3.47Å; K728-R776 PolarHBondContact N-O 3.06Å; K728-R776 PolarHBondContact O-N 3.24Å
729I92.5Very high89.7Confident9 Ų955.2 Ų55.25%0.04630%0.297CS..EExtended strand (participates in β ladder)trans-99.7130.1-177.5-57.2174000109V719 A721 G754 V774 A775V719-I729 HydrophobicContact CG2-CD1 4.2Å; V719-I729 HydrophobicContact CG2-CG2 3.96Å; A721-I729 HydrophobicContact CB-CD1 3.93Å; A721-I729 HydrophobicContact CB-CG1 4.22Å; I729-G754 WeakPolarHBondContact CD1-O 3.28Å; I729-V774 CarbonylContact C-O 3.52Å; I729-V774 WeakPolarHBondContact CA-O 3.42Å; I729-A775 HydrophobicContact CG1-CB 4.35Å
730F92.3Very high88.3Confident70 Ų7059 Ų5931%0.30732%0.323SS..EExtended strand (participates in β ladder)trans-120.8136.2178.6-60.5-88000109.1K728 Y732 L737 A773 V774 R776K728-F730 HydrophobicContact CB-CE2 3.79Å; K728-F730 HydrophobicContact CB-CZ 4.06Å; F730-Y732 HydrophobicContact CB-CE2 3.97Å; F730-L737 HydrophobicContact CB-CD1 3.89Å; F730-L737 HydrophobicContact CD1-CD1 4.16Å; F730-L737 HydrophobicContact CG-CD1 4.47Å; F730-A773 CarbonylContact O-C 3.47Å; F730-A773 WeakPolarHBondContact O-CA 3.38Å; F730-V774 PolarHBondContact N-O 2.87Å; F730-V774 PolarHBondContact O-N 2.91Å; F730-R776 HydrophobicContact CE2-CB 4.29Å
731W93.5Very high86.6Confident1 Ų159.9 Ų59.90%0.00434%0.339CS..EExtended strand (participates in β ladder)trans-106.9141.5177-6890.9000111P704 F717 V719 I738 I749 S756 L758 I771 K772 A773P704-W731 HydrophobicContact CB-CH2 4.37Å; P704-W731 HydrophobicContact CB-CZ3 4.41Å; F717-W731 HydrophobicContact CB-CH2 3.54Å; F717-W731 HydrophobicContact CB-CZ3 3.77Å; V719-W731 HydrophobicContact CG1-CH2 3.85Å; V719-W731 HydrophobicContact CG1-CZ2 4.29Å; V719-W731 HydrophobicContact CG2-CH2 4.12Å; V719-W731 HydrophobicContact CG2-CZ2 3.69Å; W731-I738 HydrophobicContact CB-CD1 3.82Å; W731-I738 HydrophobicContact CB-CG1 3.8Å; W731-I738 VanDerWaalsContact O-CG1 3.22Å; W731-I738 WeakPolarHBondContact O-CG1 3.42Å; W731-I738 PolarHBondContact O-N 3.28Å; W731-I749 HydrophobicContact CB-CD1 4.04Å; W731-I749 HydrophobicContact CG-CD1 4.22Å; W731-I749 HydrophobicContact CG-CG1 4.45Å; W731-S756 PolarHBondContact NE1-OG 3.29Å; W731-L758 HydrophobicContact CB-CD2 4.31Å; W731-L758 HydrophobicContact CD2-CB 3.7Å; W731-L758 HydrophobicContact CD2-CD2 3.99Å; W731-L758 HydrophobicContact CD2-CG 4.47Å; W731-L758 HydrophobicContact CE3-CB 3.96Å; W731-L758 HydrophobicContact CE3-CD2 3.72Å; W731-L758 HydrophobicContact CG-CB 4.19Å; W731-L758 HydrophobicContact CG-CD2 4.29Å; W731-L758 HydrophobicContact CH2-CB 4.1Å; W731-L758 HydrophobicContact CZ2-CB 3.85Å; W731-L758 HydrophobicContact CZ3-CB 4.16Å; W731-L758 HydrophobicContact CZ3-CD2 4.29Å; W731-I771 HydrophobicContact CE3-CG2 3.74Å; W731-I771 HydrophobicContact CZ3-CG2 3.68Å; W731-K772 CarbonylContact C-O 3.54Å; W731-K772 WeakPolarHBondContact CA-O 3.23Å; W731-A773 HydrophobicContact CD2-CB 4.28Å; W731-A773 HydrophobicContact CE3-CB 3.98Å; W731-A773 HydrophobicContact CH2-CB 4.3Å; W731-A773 HydrophobicContact CZ3-CB 3.98Å
732Y93Very high84.6Confident38 Ų3863.3 Ų63.315%0.14938%0.375CS..EExtended strand (participates in β ladder)trans-126140176.1-59.7-109.3000109.5F730 G735 E736 L737 K772 V774 R776F730-Y732 HydrophobicContact CB-CE2 3.97Å; Y732-G735 WeakPolarHBondContact CD1-O 3.47Å; Y732-E736 CarbonylContact C-O 3.55Å; Y732-E736 WeakPolarHBondContact CA-O 3.32Å; Y732-L737 HydrophobicContact CD1-CB 3.87Å; Y732-L737 HydrophobicContact CD1-CD1 4.43Å; Y732-L737 HydrophobicContact CD2-CD1 4.4Å; Y732-L737 HydrophobicContact CE1-CB 3.7Å; Y732-L737 HydrophobicContact CE1-CD1 4.07Å; Y732-L737 HydrophobicContact CE1-CG 4.43Å; Y732-L737 HydrophobicContact CE2-CD1 4.01Å; Y732-K772 PolarHBondContact N-O 2.81Å; Y732-K772 PolarHBondContact O-N 2.81Å; Y732-V774 HydrophobicContact CD2-CG2 3.8Å; Y732-V774 HydrophobicContact CE2-CB 3.94Å; Y732-V774 HydrophobicContact CE2-CG2 3.53Å; Y732-R776 PolarHBondContact OH-NH1 3.35Å
733I91.3Very high82.5Confident20 Ų2065.7 Ų65.710%0.10340%0.399CS..EExtended strand (participates in β ladder)trans-116.2123.8171.7-56.5179000107.2G735 E736 I738 W747 F760 L769 H770 I771I733-G735 PolarHBondContact O-N 2.74Å; I733-E736 PolarHBondContact N-O 3.03Å; I733-E736 PolarHBondContact O-N 3.35Å; I733-I738 HydrophobicContact CB-CG2 4.45Å; I733-I738 HydrophobicContact CD1-CD1 4.09Å; I733-I738 HydrophobicContact CD1-CG2 3.81Å; I733-I738 HydrophobicContact CG1-CD1 4.22Å; I733-I738 HydrophobicContact CG1-CG2 3.96Å; I733-W747 HydrophobicContact CD1-CD2 4.45Å; I733-W747 HydrophobicContact CD1-CE3 4.43Å; I733-F760 HydrophobicContact CD1-CE1 3.76Å; I733-F760 HydrophobicContact CD1-CZ 3.55Å; I733-F760 HydrophobicContact CG1-CZ 4.39Å; I733-L769 HydrophobicContact CG2-CB 4.18Å; I733-L769 HydrophobicContact CG2-CD1 4.28Å; I733-H770 CarbonylContact C-O 3.54Å; I733-H770 WeakPolarHBondContact CA-O 3.48Å; I733-I771 HydrophobicContact CB-CD1 4.49Å; I733-I771 HydrophobicContact CG1-CD1 4Å; I733-I771 HydrophobicContact CG2-CD1 4.16Å
734N90.3Very high80.8Confident95 Ų9568.5 Ų68.551%0.50843%0.429SS..THydrogen-bonded Turntrans52.123.7-176.8-68-12.8000114.8L769 H770N734-L769 WeakPolarHBondContact ND2-CD2 3.25Å; N734-L769 WeakPolarHBondContact OD1-CA 3.36Å; N734-H770 PolarHBondContact N-O 3.06Å; N734-H770 PolarHBondContact OD1-N 3.21Å
735G87.6Confident79.6Confident60 Ų6066.7 Ų66.762%0.61943%0.43SS*.THydrogen-bonded Turntrans94.4-9.8-176.700000115.3Y732 I733Y732-G735 WeakPolarHBondContact CD1-O 3.47Å; I733-G735 PolarHBondContact O-N 2.74Å
736E88.4Confident79.3Confident156 Ų15668.4 Ų68.473%0.72944%0.436SS*.EExtended strand (participates in β ladder)trans-87.4131.1174.7-62-162.4145.200111.5Y732 I733 I738Y732-E736 CarbonylContact C-O 3.55Å; Y732-E736 WeakPolarHBondContact CA-O 3.32Å; I733-E736 PolarHBondContact N-O 3.03Å; I733-E736 PolarHBondContact O-N 3.35Å; E736-I738 PolarHBondContact O-N 3.08Å
737L88.3Confident79.2Confident99 Ų9965.5 Ų65.552%0.51842%0.421SS..EExtended strand (participates in β ladder)trans-71.5119.3177.4175.467.6000110.2F730 Y732F730-L737 HydrophobicContact CB-CD1 3.89Å; F730-L737 HydrophobicContact CD1-CD1 4.16Å; F730-L737 HydrophobicContact CG-CD1 4.47Å; Y732-L737 HydrophobicContact CD1-CB 3.87Å; Y732-L737 HydrophobicContact CD1-CD1 4.43Å; Y732-L737 HydrophobicContact CD2-CD1 4.4Å; Y732-L737 HydrophobicContact CE1-CB 3.7Å; Y732-L737 HydrophobicContact CE1-CD1 4.07Å; Y732-L737 HydrophobicContact CE1-CG 4.43Å; Y732-L737 HydrophobicContact CE2-CD1 4.01Å
738I86.6Confident79Confident18 Ų1871.8 Ų71.89%0.09244%0.444CS..PPolyproline II helixtrans-87.3140.7177.250.4162000112.6W731 I733 E736 W747 I749 L758W731-I738 HydrophobicContact CB-CD1 3.82Å; W731-I738 HydrophobicContact CB-CG1 3.8Å; W731-I738 VanDerWaalsContact O-CG1 3.22Å; W731-I738 WeakPolarHBondContact O-CG1 3.42Å; W731-I738 PolarHBondContact O-N 3.28Å; I733-I738 HydrophobicContact CB-CG2 4.45Å; I733-I738 HydrophobicContact CD1-CD1 4.09Å; I733-I738 HydrophobicContact CD1-CG2 3.81Å; I733-I738 HydrophobicContact CG1-CD1 4.22Å; I733-I738 HydrophobicContact CG1-CG2 3.96Å; E736-I738 PolarHBondContact O-N 3.08Å; I738-W747 HydrophobicContact CB-CZ2 4.4Å; I738-W747 HydrophobicContact CD1-CG 4.47Å; I738-W747 HydrophobicContact CG2-CZ2 3.69Å; I738-I749 HydrophobicContact CD1-CD1 3.68Å; I738-I749 HydrophobicContact CD1-CG1 4.21Å; I738-I749 HydrophobicContact CG1-CD1 3.9Å; I738-L758 HydrophobicContact CD1-CD1 3.46Å; I738-L758 VanDerWaalsContact CD1-CD1 3.46Å; I738-L758 HydrophobicContact CD1-CD2 3.95Å; I738-L758 HydrophobicContact CD1-CG 4.35Å
739A75.2Confident79Confident59 Ų5966 Ų6649%0.48842%0.42SS..PPolyproline II helixtrans-70.3138.517600000111.4S741A739-S741 PolarHBondContact O-N 3.39Å
740S66.1Low78.7Confident80 Ų8070.1 Ų70.156%0.55944%0.438SS*.SBendtrans-62.3-25.5-173.8-47.70000114.8I749S740-I749 PolarHBondContact O-N 3.37Å
741S58.5Low78.3Confident98 Ų9871.2 Ų71.269%0.68544%0.444SS*.SBendtrans-155.6154.8178.7-172.70000111.7A739 G743A739-S741 PolarHBondContact O-N 3.39Å; S741-G743 VanDerWaalsContact C-N 3.27Å; S741-G743 PolarHBondContact O-N 2.92Å
742G50.4Low77.7Confident76 Ų7677.4 Ų77.478%0.78448%0.477SS*.  trans73.5-12.515900000118.8G744G742-G744 PolarHBondContact O-N 3.3Å
743G45Very low77Confident69 Ų6976.9 Ų76.971%0.71148%0.483SS*.SBendtrans-71.325.6-170.500000117.9S741 G745S741-G743 VanDerWaalsContact C-N 3.27Å; S741-G743 PolarHBondContact O-N 2.92Å; G743-G745 VanDerWaalsContact C-N 3.26Å; G743-G745 PolarHBondContact O-N 3.5Å
744G52.8Low76.6Confident79 Ų7976.6 Ų76.681%0.81449%0.486SS*.SBendtrans74.4-0.1177.100000116.7G742G742-G744 PolarHBondContact O-N 3.3Å
745G62Low76.7Confident27 Ų2775 Ų7528%0.27848%0.477SS..SBendtrans-84.6156.2175.300000113.5G743 W747G743-G745 VanDerWaalsContact C-N 3.26Å; G743-G745 PolarHBondContact O-N 3.5Å; G745-W747 PolarHBondContact O-N 3.35Å
746N82Confident76.9Confident90 Ų9072.2 Ų72.248%0.48145%0.447SS..SBendtrans-70.723.3176.7-82.2-1.6000114.3F760 H761 R762N746-F760 CarbonylContact O-C 3.53Å; N746-F760 WeakPolarHBondContact O-CA 3.41Å; N746-H761 PolarHBondContact O-N 3.02Å; N746-R762 VanDerWaalsContact CB-O 3.3Å; N746-R762 WeakPolarHBondContact CB-O 3.48Å; N746-R762 PolarHBondContact ND2-O 3.45Å
747W87.2Confident77.1Confident85 Ų8567.5 Ų67.532%0.32243%0.427SS..EExtended strand (participates in β ladder)trans-134.5156.8-173.459.979.7000113I733 I738 G745 L758 E759 F760I733-W747 HydrophobicContact CD1-CD2 4.45Å; I733-W747 HydrophobicContact CD1-CE3 4.43Å; I738-W747 HydrophobicContact CB-CZ2 4.4Å; I738-W747 HydrophobicContact CD1-CG 4.47Å; I738-W747 HydrophobicContact CG2-CZ2 3.69Å; G745-W747 PolarHBondContact O-N 3.35Å; W747-L758 HydrophobicContact CB-CD1 4.04Å; W747-L758 HydrophobicContact CG-CD1 4.38Å; W747-E759 CarbonylContact C-O 3.57Å; W747-E759 WeakPolarHBondContact CA-O 3.44Å; W747-F760 HydrophobicContact CB-CD1 4.19Å; W747-F760 HydrophobicContact CB-CG 4.48Å; W747-F760 HydrophobicContact CE3-CD1 4.48Å; W747-F760 HydrophobicContact CE3-CE1 4.28Å
748R85.9Confident77.3Confident134 Ų13462.8 Ų62.851%0.50640%0.402SS..EExtended strand (participates in β ladder)trans-131.3148.8169.2-65.9-177-177.3159.7-1.1110.3F750 E759 H761R748-F750 HydrophobicContact CB-CE2 4.15Å; R748-F750 HydrophobicContact CB-CZ 4.32Å; R748-E759 PolarHBondContact N-O 2.96Å; R748-E759 PolarHBondContact O-N 2.95Å; R748-H761 WeakPolarHBondContact CB-CE1 3.4Å; R748-H761 WeakPolarHBondContact CD-CE1 3.43Å; R748-H761 WeakPolarHBondContact CG-CE1 3.44Å; R748-H761 PolarHBondContact NH1-NE2 2.84Å; R748-H761 VanDerWaalsContact NH1-NE2 3.15Å
749I89.1Confident77.6Confident23 Ų2363.6 Ų63.612%0.11841%0.406CS..EExtended strand (participates in β ladder)trans-109.9126.2168.1-65.8160.7000108.3W731 I738 S740 N757 L758W731-I749 HydrophobicContact CB-CD1 4.04Å; W731-I749 HydrophobicContact CG-CD1 4.22Å; W731-I749 HydrophobicContact CG-CG1 4.45Å; I738-I749 HydrophobicContact CD1-CD1 3.68Å; I738-I749 HydrophobicContact CD1-CG1 4.21Å; I738-I749 HydrophobicContact CG1-CD1 3.9Å; S740-I749 PolarHBondContact O-N 3.37Å; I749-N757 CarbonylContact C-O 3.45Å; I749-N757 VanDerWaalsContact CA-O 3.32Å; I749-N757 WeakPolarHBondContact CA-O 3.46Å; I749-L758 HydrophobicContact CG1-CD1 3.94Å
750F86.8Confident78.3Confident96 Ų9661.1 Ų61.142%0.42138%0.384SS..EExtended strand (participates in β ladder)trans-102.4140.3164.2-53.6-86.9000108R748 S756 N757 E759R748-F750 HydrophobicContact CB-CE2 4.15Å; R748-F750 HydrophobicContact CB-CZ 4.32Å; F750-S756 CarbonylContact O-C 3.49Å; F750-S756 VanDerWaalsContact O-CA 3.28Å; F750-S756 WeakPolarHBondContact O-CA 3.18Å; F750-S756 PolarHBondContact O-OG 2.92Å; F750-N757 HydrophobicContact CB-CB 4.36Å; F750-N757 HydrophobicContact CD2-CB 4.48Å; F750-N757 PolarHBondContact N-O 2.84Å; F750-N757 PolarHBondContact O-N 3.4Å; F750-E759 HydrophobicContact CE2-CB 4.44Å
751Q85.1Confident79.3Confident93 Ų9361.3 Ų61.344%0.43538%0.376SS..EExtended strand (participates in β ladder)trans-136.3116.6173.4-170.4-176.4-400108.5I755Q751-I755 CarbonylContact C-O 3.52Å; Q751-I755 WeakPolarHBondContact CA-O 3.46Å
752D80Confident80.8Confident130 Ų13064.4 Ų64.470%0.69537%0.372SS*.EExtended strand (participates in β ladder)trans-118.3104.4174.9-17811.1000108.7G754 I755D752-G754 PolarHBondContact O-N 2.91Å; D752-I755 PolarHBondContact N-O 3.12Å; D752-I755 PolarHBondContact O-N 3.44Å
753G78.1Confident82.6Confident27 Ų2761 Ų6128%0.27834%0.336SS..THydrogen-bonded Turntrans55.4-111.3-176.600000113.2K726K726-G753 VanDerWaalsContact CE-C 3.43Å
754G83.1Confident84.5Confident15 Ų1559.6 Ų59.616%0.15532%0.322CS..THydrogen-bonded Turntrans-91.1-4.5178.100000114K720 A721 I729 D752K720-G754 CarbonylContact C-O 3.59Å; K720-G754 VanDerWaalsContact CA-O 3.32Å; K720-G754 WeakPolarHBondContact CA-O 3.34Å; A721-G754 PolarHBondContact N-O 2.74Å; I729-G754 WeakPolarHBondContact CD1-O 3.28Å; D752-G754 PolarHBondContact O-N 2.91Å
755I91.9Very high86.1Confident62 Ų6261 Ų6132%0.31832%0.315SS..EExtended strand (participates in β ladder)trans-98.2139.4178.1-59.5173.5000108.8L718 V719 K720 Q751 D752L718-I755 HydrophobicContact CG-CG2 4.32Å; V719-I755 CarbonylContact O-C 3.57Å; V719-I755 WeakPolarHBondContact O-CA 3.41Å; K720-I755 HydrophobicContact CB-CG1 4.17Å; K720-I755 HydrophobicContact CD-CG1 4.37Å; K720-I755 HydrophobicContact CG-CG1 3.96Å; Q751-I755 CarbonylContact C-O 3.52Å; Q751-I755 WeakPolarHBondContact CA-O 3.46Å; D752-I755 PolarHBondContact N-O 3.12Å; D752-I755 PolarHBondContact O-N 3.44Å
756S92.8Very high87.3Confident0 Ų062.4 Ų62.40%032%0.319CS..EExtended strand (participates in β ladder)trans-135.8140.5168-171.80000111.5V719 W731 F750V719-S756 PolarHBondContact N-O 3.31Å; V719-S756 PolarHBondContact O-N 2.85Å; W731-S756 PolarHBondContact NE1-OG 3.29Å; F750-S756 CarbonylContact O-C 3.49Å; F750-S756 VanDerWaalsContact O-CA 3.28Å; F750-S756 WeakPolarHBondContact O-CA 3.18Å; F750-S756 PolarHBondContact O-OG 2.92Å
757N92.4Very high87.7Confident57 Ų5759.8 Ų59.831%0.30531%0.314SS..EExtended strand (participates in β ladder)trans-118.8127.6177-63-57.3000109.6F717 L718 I749 F750F717-N757 CarbonylContact O-C 3.57Å; F717-N757 VanDerWaalsContact O-CA 3.28Å; F717-N757 WeakPolarHBondContact O-CA 3.14Å; L718-N757 VanDerWaalsContact CB-OD1 3.3Å; L718-N757 WeakPolarHBondContact CB-OD1 3.35Å; L718-N757 VanDerWaalsContact CD1-OD1 3.27Å; L718-N757 WeakPolarHBondContact CD1-OD1 3.31Å; L718-N757 WeakPolarHBondContact CG-OD1 3.38Å; I749-N757 CarbonylContact C-O 3.45Å; I749-N757 VanDerWaalsContact CA-O 3.32Å; I749-N757 WeakPolarHBondContact CA-O 3.46Å; F750-N757 HydrophobicContact CB-CB 4.36Å; F750-N757 HydrophobicContact CD2-CB 4.48Å; F750-N757 PolarHBondContact N-O 2.84Å; F750-N757 PolarHBondContact O-N 3.4Å
758L92.5Very high87.9Confident1 Ų161.8 Ų61.81%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-102.9120.3166169.459.6000108.5K716 F717 W731 I738 W747 I749 F760 I771K716-L758 CarbonylContact C-O 3.52Å; K716-L758 WeakPolarHBondContact CA-O 3.34Å; F717-L758 HydrophobicContact CB-CB 4.42Å; F717-L758 PolarHBondContact N-O 3.02Å; F717-L758 PolarHBondContact O-N 2.84Å; W731-L758 HydrophobicContact CB-CD2 4.31Å; W731-L758 HydrophobicContact CD2-CB 3.7Å; W731-L758 HydrophobicContact CD2-CD2 3.99Å; W731-L758 HydrophobicContact CD2-CG 4.47Å; W731-L758 HydrophobicContact CE3-CB 3.96Å; W731-L758 HydrophobicContact CE3-CD2 3.72Å; W731-L758 HydrophobicContact CG-CB 4.19Å; W731-L758 HydrophobicContact CG-CD2 4.29Å; W731-L758 HydrophobicContact CH2-CB 4.1Å; W731-L758 HydrophobicContact CZ2-CB 3.85Å; W731-L758 HydrophobicContact CZ3-CB 4.16Å; W731-L758 HydrophobicContact CZ3-CD2 4.29Å; I738-L758 HydrophobicContact CD1-CD1 3.46Å; I738-L758 VanDerWaalsContact CD1-CD1 3.46Å; I738-L758 HydrophobicContact CD1-CD2 3.95Å; I738-L758 HydrophobicContact CD1-CG 4.35Å; W747-L758 HydrophobicContact CB-CD1 4.04Å; W747-L758 HydrophobicContact CG-CD1 4.38Å; I749-L758 HydrophobicContact CG1-CD1 3.94Å; L758-F760 HydrophobicContact CD2-CE2 4.03Å; L758-F760 HydrophobicContact CD2-CZ 4.37Å; L758-F760 HydrophobicContact CG-CE2 4.07Å; L758-I771 HydrophobicContact CD2-CG2 3.88Å
759E92Very high88.2Confident35 Ų3557.1 Ų57.116%0.16431%0.312CS..EExtended strand (participates in β ladder)trans-123.1119.7-178.2170.7163.5-177.700110.9K716 W747 R748 F750K716-E759 HydrophobicContact CD-CG 4.25Å; K716-E759 WeakPolarHBondContact CE-OE1 3.5Å; K716-E759 WeakPolarHBondContact CE-OE2 3.4Å; K716-E759 HydrophobicContact CG-CB 4.27Å; K716-E759 HydrophobicContact CG-CG 4.07Å; K716-E759 IonicContact NZ-OE1 3.43Å; K716-E759 PolarHBondContact NZ-OE1 2.93Å; K716-E759 IonicContact NZ-OE2 3.53Å; K716-E759 PolarHBondContact NZ-OE2 2.78Å; W747-E759 CarbonylContact C-O 3.57Å; W747-E759 WeakPolarHBondContact CA-O 3.44Å; R748-E759 PolarHBondContact N-O 2.96Å; R748-E759 PolarHBondContact O-N 2.95Å; F750-E759 HydrophobicContact CE2-CB 4.44Å
760F91Very high88.4Confident7 Ų761.5 Ų61.53%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-86.9122.8166.2-62-99.5000109.1P714 A715 F717 I733 N746 W747 L758 V763 I771 L788P714-F760 WeakPolarHBondContact CA-O 3.47Å; P714-F760 WeakPolarHBondContact CB-O 3.35Å; A715-F760 HydrophobicContact CB-CB 4.29Å; A715-F760 HydrophobicContact CB-CD2 4.16Å; A715-F760 PolarHBondContact N-O 2.72Å; A715-F760 VanDerWaalsContact N-O 3.07Å; A715-F760 PolarHBondContact O-N 2.86Å; F717-F760 HydrophobicContact CD2-CD2 4.44Å; F717-F760 HydrophobicContact CD2-CE2 4.07Å; F717-F760 HydrophobicContact CE2-CD2 4.17Å; F717-F760 AromaticContact CE2-CE2 3.8Å; F717-F760 HydrophobicContact CE2-CE2 3.8Å; I733-F760 HydrophobicContact CD1-CE1 3.76Å; I733-F760 HydrophobicContact CD1-CZ 3.55Å; I733-F760 HydrophobicContact CG1-CZ 4.39Å; N746-F760 CarbonylContact O-C 3.53Å; N746-F760 WeakPolarHBondContact O-CA 3.41Å; W747-F760 HydrophobicContact CB-CD1 4.19Å; W747-F760 HydrophobicContact CB-CG 4.48Å; W747-F760 HydrophobicContact CE3-CD1 4.48Å; W747-F760 HydrophobicContact CE3-CE1 4.28Å; L758-F760 HydrophobicContact CD2-CE2 4.03Å; L758-F760 HydrophobicContact CD2-CZ 4.37Å; L758-F760 HydrophobicContact CG-CE2 4.07Å; F760-V763 HydrophobicContact CB-CG1 4.02Å; F760-V763 HydrophobicContact CG-CG1 4.3Å; F760-I771 HydrophobicContact CE2-CD1 4.22Å; F760-I771 HydrophobicContact CZ-CD1 3.92Å; F760-L788 HydrophobicContact CD2-CD2 4.06Å; F760-L788 HydrophobicContact CE1-CD2 4.36Å; F760-L788 HydrophobicContact CE2-CD2 3.76Å; F760-L788 HydrophobicContact CZ-CD2 3.9Å
761H86.7Confident88.8Confident84 Ų8457 Ų5739%0.38931%0.311SS..SBendtrans-74.4-36.7177.2-68.159.2000111.7N746 R748N746-H761 PolarHBondContact O-N 3.02Å; R748-H761 WeakPolarHBondContact CB-CE1 3.4Å; R748-H761 WeakPolarHBondContact CD-CE1 3.43Å; R748-H761 WeakPolarHBondContact CG-CE1 3.44Å; R748-H761 PolarHBondContact NH1-NE2 2.84Å; R748-H761 VanDerWaalsContact NH1-NE2 3.15Å
762R89.1Confident89.3Confident162 Ų16255.9 Ų55.961%0.61131%0.305SS*.SBendtrans-148.2118.1168.7-65.7-168.8175.8-80.45.7108.9G712 S713 N746G712-R762 WeakPolarHBondContact O-CG 3.32Å; G712-R762 PolarHBondContact O-NH1 3.12Å; S713-R762 CarbonylContact O-C 3.57Å; S713-R762 WeakPolarHBondContact O-CA 3.42Å; N746-R762 VanDerWaalsContact CB-O 3.3Å; N746-R762 WeakPolarHBondContact CB-O 3.48Å; N746-R762 PolarHBondContact ND2-O 3.45Å
763V88.3Confident90Very high4 Ų449.7 Ų49.72%0.02427%0.272CS..  trans-64.6143.7170.4-58.70000110.1V709 T710 G712 S713 A715 F760 L788 I790V709-V763 HydrophobicContact CG2-CG1 3.98Å; V709-V763 HydrophobicContact CG2-CG2 3.96Å; T710-V763 WeakPolarHBondContact O-CG2 3.37Å; G712-V763 WeakPolarHBondContact CA-O 3.28Å; G712-V763 PolarHBondContact N-O 3.16Å; S713-V763 WeakPolarHBondContact O-CG2 3.44Å; S713-V763 PolarHBondContact O-N 2.76Å; A715-V763 HydrophobicContact CB-CG1 3.8Å; F760-V763 HydrophobicContact CB-CG1 4.02Å; F760-V763 HydrophobicContact CG-CG1 4.3Å; V763-L788 HydrophobicContact CG1-CD2 4.03Å; V763-I790 HydrophobicContact CB-CD1 3.88Å; V763-I790 HydrophobicContact CB-CG1 4.08Å; V763-I790 HydrophobicContact CB-CG2 4.4Å; V763-I790 HydrophobicContact CG2-CD1 4.38Å; V763-I790 HydrophobicContact CG2-CG1 4.17Å; V763-I790 HydrophobicContact CG2-CG2 3.74Å
764G86.3Confident90.8Very high40 Ų4048.5 Ų48.541%0.41226%0.259SS..  trans-88.5-136.2-177.300000112.7
765T86Confident91.4Very high110 Ų11047.8 Ų47.868%0.67525%0.252SS*.SBendtrans-52.4140.7-176.250.70000113.5I790T765-I790 WeakPolarHBondContact O-CD1 3.48Å
766P87.9Confident91.4Very high56 Ų5648.8 Ų48.836%0.36425%0.252SS..SBendtrans-58.6147.7175.4-2637.1000113.7E711 I790 P792E711-P766 HydrophobicContact CB-CG 4.32Å; E711-P766 VanDerWaalsContact OE2-CG 3.3Å; E711-P766 WeakPolarHBondContact OE2-CG 3.37Å; P766-I790 VanDerWaalsContact CA-O 3.32Å; P766-I790 WeakPolarHBondContact CA-O 3.34Å; P766-I790 WeakPolarHBondContact CB-O 3.3Å; P766-P792 HydrophobicContact CB-CB 4.06Å; P766-P792 HydrophobicContact CG-CB 3.78Å
767G89.1Confident91.4Very high35 Ų3550 Ų5036%0.36126%0.258SS..EExtended strand (participates in β ladder)trans140.7-175.3-176.200000112.8I790G767-I790 PolarHBondContact N-O 2.79Å; G767-I790 PolarHBondContact O-N 3.23Å
768E92.6Very high91.4Very high126 Ų12654.6 Ų54.659%0.58928%0.283SS*.EExtended strand (participates in β ladder)trans-102128.4178.1-60.3-179.8170.900109.9L788 I789E768-L788 WeakPolarHBondContact CA-O 3.32Å; E768-I789 HydrophobicContact CG-CG1 4.38Å
769L91.1Very high91.3Very high37 Ų3759.2 Ų59.219%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-111.9123.3171.8-51.9-179.5000109.6I733 N734 I771 L788 I790I733-L769 HydrophobicContact CG2-CB 4.18Å; I733-L769 HydrophobicContact CG2-CD1 4.28Å; N734-L769 WeakPolarHBondContact ND2-CD2 3.25Å; N734-L769 WeakPolarHBondContact OD1-CA 3.36Å; L769-I771 HydrophobicContact CB-CD1 4.2Å; L769-I771 PolarHBondContact O-N 2.91Å; L769-L788 HydrophobicContact CB-CB 4.24Å; L769-L788 HydrophobicContact CD1-CD2 4.21Å; L769-L788 PolarHBondContact N-O 2.97Å; L769-L788 PolarHBondContact O-N 2.73Å; L769-I790 HydrophobicContact CD1-CD1 3.79Å; L769-I790 HydrophobicContact CG-CD1 4.11Å
770H94.2Very high91.3Very high115 Ų11558.9 Ų58.953%0.53231%0.312SS..EExtended strand (participates in β ladder)trans-77.6116.9172.1-67161.7000109.6I733 N734I733-H770 CarbonylContact C-O 3.54Å; I733-H770 WeakPolarHBondContact CA-O 3.48Å; N734-H770 PolarHBondContact N-O 3.06Å; N734-H770 PolarHBondContact OD1-N 3.21Å
771I94.5Very high91.4Very high1 Ų163.9 Ų63.91%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-105.4122.1-179-52.1-58.3000108.6F717 W731 I733 L758 F760 L769 E785 T786 L788F717-I771 HydrophobicContact CD1-CG2 4.49Å; F717-I771 HydrophobicContact CD2-CG2 4.3Å; F717-I771 HydrophobicContact CE1-CG1 4.39Å; F717-I771 HydrophobicContact CE2-CG1 4.08Å; F717-I771 HydrophobicContact CG-CG2 4.22Å; F717-I771 HydrophobicContact CZ-CG1 4.02Å; W731-I771 HydrophobicContact CE3-CG2 3.74Å; W731-I771 HydrophobicContact CZ3-CG2 3.68Å; I733-I771 HydrophobicContact CB-CD1 4.49Å; I733-I771 HydrophobicContact CG1-CD1 4Å; I733-I771 HydrophobicContact CG2-CD1 4.16Å; L758-I771 HydrophobicContact CD2-CG2 3.88Å; F760-I771 HydrophobicContact CE2-CD1 4.22Å; F760-I771 HydrophobicContact CZ-CD1 3.92Å; L769-I771 HydrophobicContact CB-CD1 4.2Å; L769-I771 PolarHBondContact O-N 2.91Å; I771-E785 WeakPolarHBondContact O-CA 3.49Å; I771-T786 HydrophobicContact CB-CG2 3.93Å; I771-T786 HydrophobicContact CG2-CG2 4.4Å; I771-T786 PolarHBondContact N-O 2.91Å; I771-T786 PolarHBondContact O-N 2.86Å; I771-L788 HydrophobicContact CD1-CB 4.35Å; I771-L788 HydrophobicContact CG1-CB 3.99Å
772K95.1Very high91.9Very high70 Ų7060.8 Ų60.830%0.30432%0.324SS..EExtended strand (participates in β ladder)trans-127.6120.5-176.1171.7171.7-172.5151.50111.4W731 Y732 V774 A784 E785W731-K772 CarbonylContact C-O 3.54Å; W731-K772 WeakPolarHBondContact CA-O 3.23Å; Y732-K772 PolarHBondContact N-O 2.81Å; Y732-K772 PolarHBondContact O-N 2.81Å; K772-V774 HydrophobicContact CD-CG2 4.28Å; K772-V774 HydrophobicContact CG-CG2 3.89Å; K772-A784 CarbonylContact C-O 3.54Å; K772-A784 WeakPolarHBondContact CA-O 3.29Å; K772-E785 HydrophobicContact CB-CG 4.01Å; K772-E785 HydrophobicContact CD-CG 3.92Å; K772-E785 VanDerWaalsContact CD-OE1 3.32Å; K772-E785 WeakPolarHBondContact CD-OE1 3.36Å; K772-E785 WeakPolarHBondContact CE-OE1 3.38Å; K772-E785 HydrophobicContact CG-CG 3.8Å; K772-E785 IonicContact NZ-OE1 2.73Å; K772-E785 PolarHBondContact NZ-OE1 3.09Å
773A95.1Very high92.2Very high0 Ų055.7 Ų55.70%032%0.316CS..EExtended strand (participates in β ladder)trans-94.1139.2168.800000110F700 V719 F730 W731 A783 A784F700-A773 HydrophobicContact CE1-CB 4.15Å; F700-A773 HydrophobicContact CZ-CB 3.84Å; V719-A773 HydrophobicContact CB-CB 4.48Å; V719-A773 HydrophobicContact CG1-CB 3.83Å; V719-A773 HydrophobicContact CG2-CB 4.05Å; F730-A773 CarbonylContact O-C 3.47Å; F730-A773 WeakPolarHBondContact O-CA 3.38Å; W731-A773 HydrophobicContact CD2-CB 4.28Å; W731-A773 HydrophobicContact CE3-CB 3.98Å; W731-A773 HydrophobicContact CH2-CB 4.3Å; W731-A773 HydrophobicContact CZ3-CB 3.98Å; A773-A783 CarbonylContact O-C 3.58Å; A773-A783 WeakPolarHBondContact O-CA 3.47Å; A773-A784 PolarHBondContact N-O 2.87Å; A773-A784 PolarHBondContact O-N 2.93Å
774V94.8Very high92.5Very high1 Ų155.8 Ų55.81%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-133.5116.4179.5-177.60000109.5I729 F730 Y732 K772 R776 E781 A782 A783I729-V774 CarbonylContact C-O 3.52Å; I729-V774 WeakPolarHBondContact CA-O 3.42Å; F730-V774 PolarHBondContact N-O 2.87Å; F730-V774 PolarHBondContact O-N 2.91Å; Y732-V774 HydrophobicContact CD2-CG2 3.8Å; Y732-V774 HydrophobicContact CE2-CB 3.94Å; Y732-V774 HydrophobicContact CE2-CG2 3.53Å; K772-V774 HydrophobicContact CD-CG2 4.28Å; K772-V774 HydrophobicContact CG-CG2 3.89Å; V774-R776 HydrophobicContact CG1-CG 4.16Å; V774-E781 HydrophobicContact CG1-CG 3.62Å; V774-E781 WeakPolarHBondContact CG1-OE1 3.46Å; V774-A782 CarbonylContact C-O 3.46Å; V774-A782 WeakPolarHBondContact CA-O 3.43Å; V774-A783 HydrophobicContact CG2-CB 4.34Å
775A95Very high92.9Very high0 Ų060 Ų600%033%0.327CS..EExtended strand (participates in β ladder)trans-96.8129175.700000109.7P698 F700 A721 P727 K728 I729 E781 A782P698-A775 HydrophobicContact CB-CB 3.86Å; P698-A775 HydrophobicContact CG-CB 4.41Å; P698-A775 VanDerWaalsContact CG-O 3.29Å; P698-A775 WeakPolarHBondContact CG-O 3.32Å; F700-A775 HydrophobicContact CE1-CB 4.21Å; F700-A775 HydrophobicContact CE2-CB 4.01Å; F700-A775 HydrophobicContact CZ-CB 3.69Å; A721-A775 HydrophobicContact CB-CB 3.62Å; P727-A775 HydrophobicContact CB-CB 4.17Å; P727-A775 HydrophobicContact CG-CB 4.48Å; K728-A775 WeakPolarHBondContact O-CA 3.47Å; I729-A775 HydrophobicContact CG1-CB 4.35Å; A775-E781 WeakPolarHBondContact O-CA 3.46Å; A775-A782 PolarHBondContact N-O 2.93Å; A775-A782 PolarHBondContact O-N 2.89Å
776R92.9Very high93.4Very high84 Ų8455.8 Ų55.832%0.31730%0.3SS..EExtended strand (participates in β ladder)trans-129133.9-179.5-70.7176170.2127.511.9111.8P727 K728 F730 Y732 V774 E781P727-R776 CarbonylContact C-O 3.59Å; P727-R776 VanDerWaalsContact CA-O 3.3Å; P727-R776 WeakPolarHBondContact CA-O 3.19Å; K728-R776 PolarHBondContact N-O 3.06Å; K728-R776 PolarHBondContact O-N 3.24Å; F730-R776 HydrophobicContact CE2-CB 4.29Å; Y732-R776 PolarHBondContact OH-NH1 3.35Å; V774-R776 HydrophobicContact CG1-CG 4.16Å; R776-E781 HydrophobicContact CG-CB 4.16Å; R776-E781 HydrophobicContact CG-CG 3.86Å; R776-E781 IonicContact CZ-OE1 3.53Å; R776-E781 IonicContact CZ-OE2 3.31Å; R776-E781 VanDerWaalsContact CZ-OE2 3.31Å; R776-E781 IonicContact NE-OE1 3.56Å; R776-E781 IonicContact NE-OE2 2.7Å; R776-E781 PolarHBondContact NE-OE2 2.86Å; R776-E781 IonicContact NH2-OE1 2.76Å; R776-E781 PolarHBondContact NH2-OE1 3.16Å; R776-E781 IonicContact NH2-OE2 3.07Å; R776-E781 PolarHBondContact NH2-OE2 3.33Å; R776-E781 VanDerWaalsContact NH2-OE2 3.07Å
777N92.1Very high93.8Very high24 Ų2456 Ų5613%0.12830%0.298CS..EExtended strand (participates in β ladder)trans-137.2-172.4162.974.29.2000110.4C696 P698 Y724 P725 P727 M779 G780C696-N777 PolarHBondContact O-ND2 2.68Å; P698-N777 WeakPolarHBondContact CD-OD1 3.32Å; Y724-N777 PolarHBondContact O-ND2 2.77Å; P725-N777 WeakPolarHBondContact O-CB 3.26Å; P725-N777 PolarHBondContact O-ND2 3.45Å; P727-N777 HydrophobicContact CB-CB 4.23Å; N777-M779 PolarHBondContact O-N 3.32Å; N777-M779 WeakPolarHBondContact OD1-CA 3.25Å; N777-M779 WeakPolarHBondContact OD1-CB 3.29Å; N777-M779 PolarHBondContact OD1-N 3.49Å; N777-G780 PolarHBondContact N-O 3.47Å; N777-G780 PolarHBondContact O-N 3.16Å; N777-G780 PolarHBondContact OD1-N 2.97Å
778N92.1Very high94Very high154 Ų15454.3 Ų54.382%0.82428%0.281SS*.THydrogen-bonded Turntrans-71.2-12.6-178.4-634.3000113.7
779M90.5Very high94.1Very high99 Ų9950.5 Ų50.549%0.48826%0.264SS..THydrogen-bonded Turntrans-100.8-14.9-178.1-59.9-56.5-68.500113.2P695 A697 N777P695-M779 HydrophobicContact CB-CE 4.1Å; P695-M779 HydrophobicContact CB-CG 3.91Å; P695-M779 HydrophobicContact CB-SD 3.92Å; P695-M779 HydrophobicContact CG-CE 4.45Å; A697-M779 HydrophobicContact CB-CB 4.46Å; N777-M779 PolarHBondContact O-N 3.32Å; N777-M779 WeakPolarHBondContact OD1-CA 3.25Å; N777-M779 WeakPolarHBondContact OD1-CB 3.29Å; N777-M779 PolarHBondContact OD1-N 3.49Å
780G92.3Very high94.3Very high28 Ų2849 Ų4929%0.28926%0.256SS..EExtended strand (participates in β ladder)trans167.8-170.4174.800000115.6P698 N777P698-G780 VanDerWaalsContact CD-C 3.42Å; P698-G780 WeakPolarHBondContact CD-O 3.32Å; P698-G780 WeakPolarHBondContact CG-O 3.13Å; N777-G780 PolarHBondContact N-O 3.47Å; N777-G780 PolarHBondContact O-N 3.16Å; N777-G780 PolarHBondContact OD1-N 2.97Å
781E94.6Very high94.2Very high111 Ų11148.4 Ų48.452%0.51925%0.253SS..EExtended strand (participates in β ladder)trans-133136.5177.5177.6169.9158.900109.6V774 A775 R776V774-E781 HydrophobicContact CG1-CG 3.62Å; V774-E781 WeakPolarHBondContact CG1-OE1 3.46Å; A775-E781 WeakPolarHBondContact O-CA 3.46Å; R776-E781 HydrophobicContact CG-CB 4.16Å; R776-E781 HydrophobicContact CG-CG 3.86Å; R776-E781 IonicContact CZ-OE1 3.53Å; R776-E781 IonicContact CZ-OE2 3.31Å; R776-E781 VanDerWaalsContact CZ-OE2 3.31Å; R776-E781 IonicContact NE-OE1 3.56Å; R776-E781 IonicContact NE-OE2 2.7Å; R776-E781 PolarHBondContact NE-OE2 2.86Å; R776-E781 IonicContact NH2-OE1 2.76Å; R776-E781 PolarHBondContact NH2-OE1 3.16Å; R776-E781 IonicContact NH2-OE2 3.07Å; R776-E781 PolarHBondContact NH2-OE2 3.33Å; R776-E781 VanDerWaalsContact NH2-OE2 3.07Å
782A95.3Very high93.9Very high20 Ų2052.1 Ų52.117%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-125.8148.617100000109.6P698 F700 V774 A775P698-A782 HydrophobicContact CB-CB 4.36Å; P698-A782 HydrophobicContact CG-CB 4.11Å; P698-A782 VanDerWaalsContact O-CB 3.28Å; P698-A782 WeakPolarHBondContact O-CB 3.24Å; F700-A782 HydrophobicContact CD2-CB 4.21Å; F700-A782 HydrophobicContact CE2-CB 4.3Å; F700-A782 WeakPolarHBondContact CE2-O 3.48Å; V774-A782 CarbonylContact C-O 3.46Å; V774-A782 WeakPolarHBondContact CA-O 3.43Å; A775-A782 PolarHBondContact N-O 2.93Å; A775-A782 PolarHBondContact O-N 2.89Å
783A95.5Very high93.3Very high54 Ų5455.5 Ų55.545%0.44630%0.295SS..EExtended strand (participates in β ladder)trans-129144.2178.800000110.7A773 V774A773-A783 CarbonylContact O-C 3.58Å; A773-A783 WeakPolarHBondContact O-CA 3.47Å; V774-A783 HydrophobicContact CG2-CB 4.34Å
784A95.5Very high92.6Very high6 Ų661.4 Ų61.45%0.0533%0.326CS..EExtended strand (participates in β ladder)trans-133.2135170.700000108.9F700 L703 P704 K772 A773F700-A784 HydrophobicContact CD2-CB 3.65Å; F700-A784 HydrophobicContact CE2-CB 3.89Å; F700-A784 HydrophobicContact CG-CB 4.01Å; F700-A784 HydrophobicContact CZ-CB 4.44Å; L703-A784 HydrophobicContact CD2-CB 3.62Å; P704-A784 HydrophobicContact CG-CB 4.17Å; K772-A784 CarbonylContact C-O 3.54Å; K772-A784 WeakPolarHBondContact CA-O 3.29Å; A773-A784 PolarHBondContact N-O 2.87Å; A773-A784 PolarHBondContact O-N 2.93Å
785E95.2Very high91.5Very high130 Ų13065 Ų6561%0.60735%0.345SS*.EExtended strand (participates in β ladder)trans-127.6143.9-170.2-64.6-178.2-17200110.5I771 K772I771-E785 WeakPolarHBondContact O-CA 3.49Å; K772-E785 HydrophobicContact CB-CG 4.01Å; K772-E785 HydrophobicContact CD-CG 3.92Å; K772-E785 VanDerWaalsContact CD-OE1 3.32Å; K772-E785 WeakPolarHBondContact CD-OE1 3.36Å; K772-E785 WeakPolarHBondContact CE-OE1 3.38Å; K772-E785 HydrophobicContact CG-CG 3.8Å; K772-E785 IonicContact NZ-OE1 2.73Å; K772-E785 PolarHBondContact NZ-OE1 3.09Å
786T95.9Very high90.4Very high20 Ų2071.9 Ų71.912%0.12338%0.375CS..EExtended strand (participates in β ladder)trans-154.6178.8178.7-1590000111.1P704 V705 A706 F717 I771P704-T786 HydrophobicContact CB-CG2 3.75Å; P704-T786 HydrophobicContact CG-CG2 3.9Å; P704-T786 WeakPolarHBondContact O-CB 3.36Å; P704-T786 PolarHBondContact O-OG1 2.79Å; P704-T786 VanDerWaalsContact O-OG1 3.08Å; V705-T786 VanDerWaalsContact C-OG1 3.31Å; V705-T786 PolarHBondContact O-OG1 2.94Å; A706-T786 VanDerWaalsContact CA-OG1 3.23Å; A706-T786 WeakPolarHBondContact CA-OG1 3.43Å; A706-T786 PolarHBondContact N-OG1 2.94Å; A706-T786 VanDerWaalsContact N-OG1 3.11Å; F717-T786 HydrophobicContact CD1-CG2 3.65Å; F717-T786 HydrophobicContact CE1-CG2 3.7Å; I771-T786 HydrophobicContact CB-CG2 3.93Å; I771-T786 HydrophobicContact CG2-CG2 4.4Å; I771-T786 PolarHBondContact N-O 2.91Å; I771-T786 PolarHBondContact O-N 2.86Å
787I95.4Very high89.4Confident60 Ų6076.8 Ų76.831%0.30839%0.393SS..EExtended strand (participates in β ladder)trans-124.2142.7-177.168.2179.3000112.2A706 V707 I789A706-I787 WeakPolarHBondContact CA-O 3.4Å; A706-I787 HydrophobicContact CB-CG1 3.89Å; V707-I787 PolarHBondContact N-O 3.17Å; I787-I789 HydrophobicContact CD1-CD1 3.95Å; I787-I789 HydrophobicContact CD1-CG1 4.09Å; I787-I789 HydrophobicContact CG1-CG1 4.32Å
788L94.6Very high88.1Confident0 Ų080.5 Ų80.50%042%0.419CS..EExtended strand (participates in β ladder)trans-110.5111.8166.917655.1000108V707 V709 A715 F717 F760 V763 E768 L769 I771 I790V707-L788 HydrophobicContact CB-CD1 4.13Å; V707-L788 HydrophobicContact CG1-CD1 3.99Å; V707-L788 CarbonylContact O-C 3.51Å; V707-L788 WeakPolarHBondContact O-CA 3.33Å; V709-L788 HydrophobicContact CG2-CD1 3.68Å; A715-L788 HydrophobicContact CB-CD1 3.78Å; A715-L788 HydrophobicContact CB-CD2 4.29Å; F717-L788 HydrophobicContact CE2-CB 4.27Å; F717-L788 HydrophobicContact CE2-CD1 4.37Å; F717-L788 HydrophobicContact CE2-CD2 4.15Å; F717-L788 HydrophobicContact CE2-CG 4.5Å; F717-L788 HydrophobicContact CZ-CB 3.74Å; F717-L788 HydrophobicContact CZ-CD1 4.01Å; F717-L788 HydrophobicContact CZ-CD2 4.39Å; F717-L788 HydrophobicContact CZ-CG 4.25Å; F760-L788 HydrophobicContact CD2-CD2 4.06Å; F760-L788 HydrophobicContact CE1-CD2 4.36Å; F760-L788 HydrophobicContact CE2-CD2 3.76Å; F760-L788 HydrophobicContact CZ-CD2 3.9Å; V763-L788 HydrophobicContact CG1-CD2 4.03Å; E768-L788 WeakPolarHBondContact CA-O 3.32Å; L769-L788 HydrophobicContact CB-CB 4.24Å; L769-L788 HydrophobicContact CD1-CD2 4.21Å; L769-L788 PolarHBondContact N-O 2.97Å; L769-L788 PolarHBondContact O-N 2.73Å; I771-L788 HydrophobicContact CD1-CB 4.35Å; I771-L788 HydrophobicContact CG1-CB 3.99Å; L788-I790 HydrophobicContact CD2-CG1 4.47Å; L788-I790 HydrophobicContact CG-CG1 4.08Å
789I95Very high86.8Confident46 Ų4679.6 Ų79.624%0.23641%0.414CS..EExtended strand (participates in β ladder)trans-95.5117.5175.5-54.6-179.9000107.9V707 T708 V709 E768 I787V707-I789 PolarHBondContact O-N 3.42Å; T708-I789 WeakPolarHBondContact CA-O 3.29Å; T708-I789 HydrophobicContact CG2-CB 4.07Å; T708-I789 HydrophobicContact CG2-CG2 4.13Å; V709-I789 PolarHBondContact N-O 3.46Å; E768-I789 HydrophobicContact CG-CG1 4.38Å; I787-I789 HydrophobicContact CD1-CD1 3.95Å; I787-I789 HydrophobicContact CD1-CG1 4.09Å; I787-I789 HydrophobicContact CG1-CG1 4.32Å
790I94Very high85.3Confident5 Ų581.1 Ų81.13%0.02642%0.424CS..EExtended strand (participates in β ladder)trans-102.8105.1177-52.8168.2000108.2V709 E711 V763 T765 P766 G767 L769 L788V709-I790 CarbonylContact O-C 3.43Å; V709-I790 WeakPolarHBondContact O-CA 3.32Å; E711-I790 HydrophobicContact CB-CG2 4.31Å; V763-I790 HydrophobicContact CB-CD1 3.88Å; V763-I790 HydrophobicContact CB-CG1 4.08Å; V763-I790 HydrophobicContact CB-CG2 4.4Å; V763-I790 HydrophobicContact CG2-CD1 4.38Å; V763-I790 HydrophobicContact CG2-CG1 4.17Å; V763-I790 HydrophobicContact CG2-CG2 3.74Å; T765-I790 WeakPolarHBondContact O-CD1 3.48Å; P766-I790 VanDerWaalsContact CA-O 3.32Å; P766-I790 WeakPolarHBondContact CA-O 3.34Å; P766-I790 WeakPolarHBondContact CB-O 3.3Å; G767-I790 PolarHBondContact N-O 2.79Å; G767-I790 PolarHBondContact O-N 3.23Å; L769-I790 HydrophobicContact CD1-CD1 3.79Å; L769-I790 HydrophobicContact CG-CD1 4.11Å; L788-I790 HydrophobicContact CD2-CG1 4.47Å; L788-I790 HydrophobicContact CG-CG1 4.08Å
791E92.1Very high83.5Confident103 Ų10390.2 Ų90.248%0.48145%0.449SS..EExtended strand (participates in β ladder)trans-77.8140.2174.6-63.3-172.6156.300110.5T708 V709 T710 E711 Q793T708-E791 HydrophobicContact CG2-CG 3.88Å; V709-E791 PolarHBondContact O-N 3.04Å; T710-E791 CarbonylContact C-O 3.57Å; T710-E791 WeakPolarHBondContact CA-O 3.22Å; T710-E791 HydrophobicContact CG2-CB 4.48Å; E711-E791 PolarHBondContact N-O 3.32Å; E791-Q793 PolarHBondContact O-N 3.34Å
792P88.4Confident81.4Confident80 Ų8093.2 Ų93.252%0.51946%0.463SS..  trans-63.2134.9178.227.1-34.3000111.1P766 L794P766-P792 HydrophobicContact CB-CB 4.06Å; P766-P792 HydrophobicContact CG-CB 3.78Å; P792-L794 PolarHBondContact O-N 2.97Å
793Q84Confident79.3Confident140 Ų14098.1 Ų98.165%0.65449%0.491SS*.  trans-69.2103.6169.6-17517342.100108.3E711 E791 D795E711-Q793 HydrophobicContact CB-CB 4.14Å; E791-Q793 PolarHBondContact O-N 3.34Å; Q793-D795 PolarHBondContact O-N 3.33Å
794L79.5Confident77.4Confident125 Ų125102.5 Ų102.565%0.65450%0.502SS*.  trans-58.7106176-76.1169.1000109.9P792 F796P792-L794 PolarHBondContact O-N 2.97Å; L794-F796 HydrophobicContact CB-CD1 4.41Å; L794-F796 HydrophobicContact CB-CE1 3.84Å; L794-F796 HydrophobicContact CB-CZ 4.12Å; L794-F796 WeakPolarHBondContact O-CD2 3.4Å; L794-F796 WeakPolarHBondContact O-CE2 3.22Å; L794-F796 PolarHBondContact O-N 3.27Å
795D70.6Confident75.7Confident77 Ų77107.6 Ų107.641%0.41254%0.535SS..  trans-73.9110.5167.5-170.7-5.2000108.6Q793 R797 P798Q793-D795 PolarHBondContact O-N 3.33Å; D795-R797 PolarHBondContact O-N 3.1Å; D795-R797 VanDerWaalsContact OD1-CB 3.23Å; D795-R797 WeakPolarHBondContact OD1-CB 3.49Å; D795-R797 VanDerWaalsContact OD1-CG 3.27Å; D795-R797 WeakPolarHBondContact OD1-CG 3.33Å; D795-R797 IonicContact OD1-CZ 2.7Å; D795-R797 PolarHBondContact OD1-N 3.04Å; D795-R797 IonicContact OD1-NE 2.64Å; D795-R797 PolarHBondContact OD1-NE 3.45Å; D795-R797 IonicContact OD1-NH2 2.68Å; D795-R797 IonicContact OD2-CZ 3.64Å; D795-R797 IonicContact OD2-NE 2.81Å; D795-R797 PolarHBondContact OD2-NE 3.22Å; D795-R797 IonicContact OD2-NH2 3.59Å; D795-R797 PolarHBondContact OD2-NH2 3.34Å; D795-P798 WeakPolarHBondContact O-CD 3.28Å
796F73.1Confident74Confident144 Ų144107 Ų10763%0.63253%0.532SS*.  trans-75.4-4.1-179.9-48.5-71.9000113.2L794 P798 D799 L800L794-F796 HydrophobicContact CB-CD1 4.41Å; L794-F796 HydrophobicContact CB-CE1 3.84Å; L794-F796 HydrophobicContact CB-CZ 4.12Å; L794-F796 WeakPolarHBondContact O-CD2 3.4Å; L794-F796 WeakPolarHBondContact O-CE2 3.22Å; L794-F796 PolarHBondContact O-N 3.27Å; F796-P798 VanDerWaalsContact C-CD 3.41Å; F796-D799 PolarHBondContact O-N 3.15Å; F796-D799 VanDerWaalsContact O-N 3.13Å; F796-L800 PolarHBondContact O-N 3.33Å
797R71.3Confident72.2Confident186 Ų186110.2 Ų110.270%0.70255%0.548SS*.THydrogen-bonded Turntrans-60.4-26.4-179.9-74.6175.7-76.8-171.8-0.7116.1D795 L800D795-R797 PolarHBondContact O-N 3.1Å; D795-R797 VanDerWaalsContact OD1-CB 3.23Å; D795-R797 WeakPolarHBondContact OD1-CB 3.49Å; D795-R797 VanDerWaalsContact OD1-CG 3.27Å; D795-R797 WeakPolarHBondContact OD1-CG 3.33Å; D795-R797 IonicContact OD1-CZ 2.7Å; D795-R797 PolarHBondContact OD1-N 3.04Å; D795-R797 IonicContact OD1-NE 2.64Å; D795-R797 PolarHBondContact OD1-NE 3.45Å; D795-R797 IonicContact OD1-NH2 2.68Å; D795-R797 IonicContact OD2-CZ 3.64Å; D795-R797 IonicContact OD2-NE 2.81Å; D795-R797 PolarHBondContact OD2-NE 3.22Å; D795-R797 IonicContact OD2-NH2 3.59Å; D795-R797 PolarHBondContact OD2-NH2 3.34Å; R797-L800 HydrophobicContact CG-CD1 4.49Å; R797-L800 WeakPolarHBondContact O-CB 3.29Å
798P65.9Low70.5Confident102 Ų102111.8 Ų111.866%0.66256%0.562SS**THydrogen-bonded Turntrans-74.9-31.4171-18.434.2000113.5D795 F796 L800D795-P798 WeakPolarHBondContact O-CD 3.28Å; F796-P798 VanDerWaalsContact C-CD 3.41Å; P798-L800 VanDerWaalsContact C-N 3.29Å
799D63.8Low69Low136 Ų136119.2 Ų119.273%0.72760%0.595SS**THydrogen-bonded Turntrans-75.2-20.2176.5-76.3-40.1000112.5F796 R801F796-D799 PolarHBondContact O-N 3.15Å; F796-D799 VanDerWaalsContact O-N 3.13Å; D799-R801 PolarHBondContact O-N 3.45Å
800L59.7Low67.5Low131 Ų131123.6 Ų123.669%0.68661%0.612SS**SBendtrans-6573.9154.5-60.2178.2000109.4F796 R797 P798 H802F796-L800 PolarHBondContact O-N 3.33Å; R797-L800 HydrophobicContact CG-CD1 4.49Å; R797-L800 WeakPolarHBondContact O-CB 3.29Å; P798-L800 VanDerWaalsContact C-N 3.29Å; L800-H802 PolarHBondContact O-N 3.44Å
801R54.1Low65.9Low218 Ų218128.4 Ų128.482%0.82363%0.633SS**  trans-42.4130.3174.3-66-177.9-175.3169.23.2108.8D799 V803D799-R801 PolarHBondContact O-N 3.45Å; R801-V803 VanDerWaalsContact C-N 3.29Å; R801-V803 PolarHBondContact O-N 2.79Å
802H50Low64.4Low174 Ų174127.5 Ų127.581%0.80663%0.631SS**  trans-62.193.3-179.9-154.686.9000109.6L800 E804L800-H802 PolarHBondContact O-N 3.44Å; H802-E804 PolarHBondContact O-N 2.92Å
803V51.3Low63.3Low124 Ų124126 Ų12675%0.75263%0.626SS**  trans-68.294166.4178.90000104.5R801 P805R801-V803 VanDerWaalsContact C-N 3.29Å; R801-V803 PolarHBondContact O-N 2.79Å; V803-P805 VanDerWaalsContact O-N 3.07Å
804E56.9Low62.3Low145 Ų145125.7 Ų125.768%0.67862%0.624SS**  trans-44.8122.5161.1-80.8-163.116200106.1H802 E806H802-E804 PolarHBondContact O-N 2.92Å; E804-E806 WeakPolarHBondContact O-CA 3.27Å; E804-E806 PolarHBondContact O-N 3.25Å
805P58.4Low61.3Low114 Ų114125.3 Ų125.374%0.7462%0.622SS**  trans-60105.3-17722.4-32.3000107.2V803 N807V803-P805 VanDerWaalsContact O-N 3.07Å; P805-N807 VanDerWaalsContact C-N 3.34Å; P805-N807 WeakPolarHBondContact O-CA 3.42Å; P805-N807 PolarHBondContact O-N 2.73Å
806E59.3Low60.8Low118 Ų118129.7 Ų129.755%0.55164%0.637SS**  trans-65.697.7-160.7-146.4-153-11200107.7E804 P808 K811E804-E806 WeakPolarHBondContact O-CA 3.27Å; E804-E806 PolarHBondContact O-N 3.25Å; E806-P808 WeakPolarHBondContact O-CA 3.43Å; E806-P808 WeakPolarHBondContact O-CD 3.46Å; E806-K811 IonicContact OE1-NZ 2.7Å; E806-K811 PolarHBondContact OE1-NZ 3.3Å; E806-K811 WeakPolarHBondContact OE2-CD 3.42Å; E806-K811 VanDerWaalsContact OE2-CE 3.26Å; E806-K811 WeakPolarHBondContact OE2-CE 3.4Å; E806-K811 IonicContact OE2-NZ 2.72Å; E806-K811 PolarHBondContact OE2-NZ 2.88Å
807N59.2Low60.1Low87 Ų87131.4 Ų131.447%0.46565%0.645SS.*  trans-53113-161.8175.8-29000108P805 F809 K810P805-N807 VanDerWaalsContact C-N 3.34Å; P805-N807 WeakPolarHBondContact O-CA 3.42Å; P805-N807 PolarHBondContact O-N 2.73Å; N807-F809 PolarHBondContact O-N 2.87Å; N807-F809 WeakPolarHBondContact OD1-CD2 3.48Å; N807-F809 PolarHBondContact OD1-N 2.86Å; N807-K810 HydrophobicContact CB-CB 4.26Å; N807-K810 WeakPolarHBondContact O-CA 3.37Å; N807-K810 WeakPolarHBondContact O-CB 3.48Å; N807-K810 PolarHBondContact O-N 2.87Å
808P60.2Low59.2Low92 Ų92127.9 Ų127.960%0.59764%0.643SS**Hα-helixtrans-63.2-28.7-160.819.7-31.7000111.1E806 K810 L812E806-P808 WeakPolarHBondContact O-CA 3.43Å; E806-P808 WeakPolarHBondContact O-CD 3.46Å; P808-K810 VanDerWaalsContact C-N 3.32Å; P808-K810 PolarHBondContact O-N 2.72Å; P808-L812 VanDerWaalsContact O-CB 3.28Å; P808-L812 WeakPolarHBondContact O-CB 3.19Å; P808-L812 PolarHBondContact O-N 3.06Å; P808-L812 VanDerWaalsContact O-N 3.07Å
809F62Low58.7Low156 Ų156132.3 Ų132.368%0.68465%0.652SS**Hα-helixtrans-66.7-26.9174.3-57.5-76.4000113.7N807 A813N807-F809 PolarHBondContact O-N 2.87Å; N807-F809 WeakPolarHBondContact OD1-CD2 3.48Å; N807-F809 PolarHBondContact OD1-N 2.86Å; F809-A813 WeakPolarHBondContact O-CB 3.04Å; F809-A813 PolarHBondContact O-N 3.36Å
810K64Low58.1Low139 Ų139130.3 Ų130.360%0.60465%0.648SS**Hα-helixtrans-68.4-48.7179.6-151.9176.8-172.6-178.70110.7N807 P808 Q814N807-K810 HydrophobicContact CB-CB 4.26Å; N807-K810 WeakPolarHBondContact O-CA 3.37Å; N807-K810 WeakPolarHBondContact O-CB 3.48Å; N807-K810 PolarHBondContact O-N 2.87Å; P808-K810 VanDerWaalsContact C-N 3.32Å; P808-K810 PolarHBondContact O-N 2.72Å; K810-Q814 WeakPolarHBondContact O-CG 3.37Å; K810-Q814 PolarHBondContact O-N 2.7Å
811K60.8Low58.2Low105 Ų105126.2 Ų126.246%0.45763%0.63SS.*Hα-helixtrans-67.7-42.4174-138.8178.3-144.3139.20111.3E806 A813 Q814 L815E806-K811 IonicContact OE1-NZ 2.7Å; E806-K811 PolarHBondContact OE1-NZ 3.3Å; E806-K811 WeakPolarHBondContact OE2-CD 3.42Å; E806-K811 VanDerWaalsContact OE2-CE 3.26Å; E806-K811 WeakPolarHBondContact OE2-CE 3.4Å; E806-K811 IonicContact OE2-NZ 2.72Å; E806-K811 PolarHBondContact OE2-NZ 2.88Å; K811-A813 PolarHBondContact O-N 3.01Å; K811-Q814 PolarHBondContact O-N 2.95Å; K811-L815 PolarHBondContact O-N 2.77Å
812L60.4Low58.7Low85 Ų85122.5 Ų122.545%0.44563%0.627SS.*Hα-helixtrans-64.7-35.4178.4-147.277.5000112.9P808 K816P808-L812 VanDerWaalsContact O-CB 3.28Å; P808-L812 WeakPolarHBondContact O-CB 3.19Å; P808-L812 PolarHBondContact O-N 3.06Å; P808-L812 VanDerWaalsContact O-N 3.07Å; L812-K816 VanDerWaalsContact O-CB 3.29Å; L812-K816 WeakPolarHBondContact O-CB 3.28Å; L812-K816 VanDerWaalsContact O-CG 3.26Å; L812-K816 WeakPolarHBondContact O-CG 3.16Å; L812-K816 PolarHBondContact O-N 2.84Å
813A64.5Low59.4Low49 Ų49121.4 Ų121.441%0.40562%0.622SS.*Hα-helixtrans-77-21.2177.500000113.7F809 K811 K817F809-A813 WeakPolarHBondContact O-CB 3.04Å; F809-A813 PolarHBondContact O-N 3.36Å; K811-A813 PolarHBondContact O-N 3.01Å; A813-K817 WeakPolarHBondContact O-CD 3.45Å; A813-K817 WeakPolarHBondContact O-CG 3.36Å
814Q62.6Low59.7Low132 Ų132119.8 Ų119.862%0.61761%0.609SS**Hα-helixtrans-77.6-49.2167.9-70.71762.600110.5K810 K811 K816 K817K810-Q814 WeakPolarHBondContact O-CG 3.37Å; K810-Q814 PolarHBondContact O-N 2.7Å; K811-Q814 PolarHBondContact O-N 2.95Å; Q814-K816 VanDerWaalsContact C-N 3.32Å; Q814-K816 PolarHBondContact O-N 2.9Å; Q814-K817 PolarHBondContact O-N 2.9Å
815L59.3Low60Low118 Ų118115.7 Ų115.762%0.61860%0.596SS**Hα-helixtrans-59.8-38.5177.7-75.9162.5000112.6K811 K817 V818K811-L815 PolarHBondContact O-N 2.77Å; L815-K817 PolarHBondContact O-N 2.87Å; L815-K817 VanDerWaalsContact O-N 3.15Å; L815-V818 PolarHBondContact O-N 2.91Å
816K59.7Low60.3Low168 Ų168113.5 Ų113.573%0.7358%0.583SS**THydrogen-bonded Turntrans-68-4.2174.4-77.2178.9177-177.50115.2L812 Q814L812-K816 VanDerWaalsContact O-CB 3.29Å; L812-K816 WeakPolarHBondContact O-CB 3.28Å; L812-K816 VanDerWaalsContact O-CG 3.26Å; L812-K816 WeakPolarHBondContact O-CG 3.16Å; L812-K816 PolarHBondContact O-N 2.84Å; Q814-K816 VanDerWaalsContact C-N 3.32Å; Q814-K816 PolarHBondContact O-N 2.9Å
817K58.8Low60.3Low181 Ų181110.7 Ų110.779%0.78758%0.58SS**THydrogen-bonded Turntrans-101.6-8.4176.4-71.9177.4-178.5-1770114A813 Q814 L815 K819A813-K817 WeakPolarHBondContact O-CD 3.45Å; A813-K817 WeakPolarHBondContact O-CG 3.36Å; Q814-K817 PolarHBondContact O-N 2.9Å; L815-K817 PolarHBondContact O-N 2.87Å; L815-K817 VanDerWaalsContact O-N 3.15Å; K817-K819 PolarHBondContact O-N 2.87Å
818V53.1Low60.3Low111 Ų111115.1 Ų115.167%0.67360%0.595SS**SBendtrans-79.5119.6174.5-175.60000108.7L815 C820L815-V818 PolarHBondContact O-N 2.91Å; V818-C820 PolarHBondContact O-N 2.84Å
819K53.9Low60.2Low196 Ų196120.9 Ų120.985%0.85261%0.605SS**PPolyproline II helixtrans-62.4131.5167.7-81.2-174173.7-176.70108.6K817 S821K817-K819 PolarHBondContact O-N 2.87Å; K819-S821 PolarHBondContact O-N 3.05Å
820C52.9Low59.8Low94 Ų94121.7 Ų121.764%0.63561%0.609SS**PPolyproline II helixtrans-59.2128.2169.3-167.90000109.1V818V818-C820 PolarHBondContact O-N 2.84Å
821S61.1Low59.1Low45 Ų45120.9 Ų120.932%0.31562%0.617SS.*PPolyproline II helixtrans-82152.7173.862.20000110.9K819 E823 L824 S825K819-S821 PolarHBondContact O-N 3.05Å; S821-E823 PolarHBondContact O-N 3.08Å; S821-L824 WeakPolarHBondContact O-CB 3.29Å; S821-L824 PolarHBondContact O-N 3.08Å; S821-L824 VanDerWaalsContact O-N 3.1Å; S821-S825 PolarHBondContact O-N 3.43Å
822D63.9Low58.9Low140 Ų140125.3 Ų125.375%0.74964%0.637SS**Hα-helixtrans-61.9-27.1177.8-58.3-71.1000112.3S825 S826D822-S825 PolarHBondContact O-N 3.01Å; D822-S825 PolarHBondContact O-OG 3.33Å; D822-S826 PolarHBondContact O-N 3.06Å
823E65.7Low58.5Low151 Ų151124.8 Ų124.871%0.70664%0.644SS**Hα-helixtrans-60.8-46.3172.5-60.8179.5130.600112.2S821 S825 S826 A827S821-E823 PolarHBondContact O-N 3.08Å; E823-S825 VanDerWaalsContact C-N 3.35Å; E823-S825 PolarHBondContact O-N 3.23Å; E823-S826 WeakPolarHBondContact O-CB 3.45Å; E823-S826 PolarHBondContact O-N 2.82Å; E823-S826 VanDerWaalsContact O-N 3.13Å; E823-S826 PolarHBondContact O-OG 2.85Å; E823-A827 PolarHBondContact O-N 2.7Å
824L57.1Low58Low90 Ų90130.5 Ų130.547%0.47166%0.663SS.*Hα-helixtrans-61.8-42.2177.6-91.8163.3000111.4S821 S826 A827 F828S821-L824 WeakPolarHBondContact O-CB 3.29Å; S821-L824 PolarHBondContact O-N 3.08Å; S821-L824 VanDerWaalsContact O-N 3.1Å; L824-S826 PolarHBondContact O-N 3.44Å; L824-A827 PolarHBondContact O-N 3.48Å; L824-F828 HydrophobicContact CD2-CE2 4.3Å; L824-F828 WeakPolarHBondContact O-CD2 3.47Å; L824-F828 PolarHBondContact O-N 2.98Å
825S64.1Low57.6Low59 Ų59127.4 Ų127.441%0.41366%0.66SS.*Hα-helixtrans-70.8-17.4177.569.20000113.7S821 D822 E823S821-S825 PolarHBondContact O-N 3.43Å; D822-S825 PolarHBondContact O-N 3.01Å; D822-S825 PolarHBondContact O-OG 3.33Å; E823-S825 VanDerWaalsContact C-N 3.35Å; E823-S825 PolarHBondContact O-N 3.23Å
826S63.9Low57.6Low67 Ų67128.3 Ų128.347%0.46966%0.664SS.*Hα-helixtrans-81.7-37.1168.6870000113.2D822 E823 L824 F828 R829D822-S826 PolarHBondContact O-N 3.06Å; E823-S826 WeakPolarHBondContact O-CB 3.45Å; E823-S826 PolarHBondContact O-N 2.82Å; E823-S826 VanDerWaalsContact O-N 3.13Å; E823-S826 PolarHBondContact O-OG 2.85Å; L824-S826 PolarHBondContact O-N 3.44Å; S826-F828 PolarHBondContact O-N 3.2Å; S826-R829 PolarHBondContact O-N 3.21Å
827A59.9Low57.7Low59 Ų59125.4 Ų125.449%0.48866%0.657SS.*Hα-helixtrans-63.9-42.2-174.500000112.5E823 L824 R829 K830E823-A827 PolarHBondContact O-N 2.7Å; L824-A827 PolarHBondContact O-N 3.48Å; A827-R829 PolarHBondContact O-N 3.21Å; A827-K830 PolarHBondContact O-N 3.09Å
828F57.8Low57.8Low180 Ų180122.6 Ų122.679%0.78965%0.65SS**THydrogen-bonded Turntrans-66.2-2.6178.6-77-72.4000115.1L824 S826L824-F828 HydrophobicContact CD2-CE2 4.3Å; L824-F828 WeakPolarHBondContact O-CD2 3.47Å; L824-F828 PolarHBondContact O-N 2.98Å; S826-F828 PolarHBondContact O-N 3.2Å
829R59.1Low58.5Low214 Ų214126.1 Ų126.181%0.80865%0.651SS**THydrogen-bonded Turntrans-98.9-1.2179.7-61-170.6-175.2-133.73.2115S826 A827S826-R829 PolarHBondContact O-N 3.21Å; A827-R829 PolarHBondContact O-N 3.21Å
830K52.9Low59.4Low173 Ų173124.7 Ų124.775%0.75264%0.641SS**SBendtrans-90139.8-179.2-67.4-176.7-179.9176.60112.1A827A827-K830 PolarHBondContact O-N 3.09Å
831P49.5Very low60.1Low121 Ų121125.5 Ų125.579%0.78664%0.638SS**  trans-72155.6-170.8-2034.1000115.2A833P831-A833 PolarHBondContact O-N 3.22Å
832K56.2Low60.6Low198 Ų198129.2 Ų129.286%0.86165%0.65SS**G310 helixtrans-66.612.5-168.8-58-178.8176.3178.40117.3Q834K832-Q834 PolarHBondContact O-N 3.24Å
833A53.1Low61.1Low74 Ų74130.7 Ų130.761%0.61265%0.645SS**G310 helixtrans-62.7-42.7-166.400000114.3P831 A835 L836P831-A833 PolarHBondContact O-N 3.22Å; A833-A835 VanDerWaalsContact C-N 3.27Å; A833-A835 PolarHBondContact O-N 3.42Å; A833-L836 PolarHBondContact O-N 2.81Å
834Q53.8Low61.4Low170 Ų170128.8 Ų128.879%0.79464%0.636SS**G310 helixtrans-70.7-16.6-172.4-69.9176.1-42.500114.6K832 L836K832-Q834 PolarHBondContact O-N 3.24Å; Q834-L836 PolarHBondContact O-N 2.76Å
835A54.4Low61.9Low67 Ų67130.2 Ų130.255%0.55464%0.644SS**Hα-helixtrans-74.8-12.7179.800000113.7A833A833-A835 VanDerWaalsContact C-N 3.27Å; A833-A835 PolarHBondContact O-N 3.42Å
836L58.1Low62Low136 Ų136133.7 Ų133.771%0.71265%0.653SS**Hα-helixtrans-86.3-33.9-179.7-106.9162.6000113.2A833 Q834 R840A833-L836 PolarHBondContact O-N 2.81Å; Q834-L836 PolarHBondContact O-N 2.76Å; L836-R840 PolarHBondContact O-N 3.26Å
837D63.1Low62Low108 Ų108135 Ų13558%0.57866%0.655SS**Hα-helixtrans-72.2-38.5179.1-84.1-29.2000112.6R839 R840 L841D837-R839 VanDerWaalsContact C-N 3.35Å; D837-R839 PolarHBondContact O-N 2.96Å; D837-R840 WeakPolarHBondContact O-CA 3.3Å; D837-R840 VanDerWaalsContact O-CB 3.28Å; D837-R840 WeakPolarHBondContact O-CB 3.44Å; D837-R840 PolarHBondContact O-N 3.03Å; D837-L841 PolarHBondContact O-N 3.07Å
838L59.7Low62.3Low121 Ų121142 Ų14263%0.63467%0.669SS**Hα-helixtrans-57.4-48176.3-71.4170000111.5R840 L841 E842L838-R840 PolarHBondContact O-N 3.3Å; L838-L841 WeakPolarHBondContact O-CB 3.33Å; L838-L841 PolarHBondContact O-N 3.11Å; L838-L841 VanDerWaalsContact O-N 3.12Å; L838-E842 PolarHBondContact O-N 2.89Å
839R68Low62Low186 Ų186135.7 Ų135.770%0.70266%0.655SS**Hα-helixtrans-68.9-16.9177.1-160.8-175.3-66.2-173.5-4.2113.3D837D837-R839 VanDerWaalsContact C-N 3.35Å; D837-R839 PolarHBondContact O-N 2.96Å
840R72.2Confident62Low166 Ų166133.5 Ų133.563%0.62665%0.647SS**Hα-helixtrans-78.7-41171.4-164178.7-171.6166.63.9110.7L836 D837 L838 R843 E844L836-R840 PolarHBondContact O-N 3.26Å; D837-R840 WeakPolarHBondContact O-CA 3.3Å; D837-R840 VanDerWaalsContact O-CB 3.28Å; D837-R840 WeakPolarHBondContact O-CB 3.44Å; D837-R840 PolarHBondContact O-N 3.03Å; L838-R840 PolarHBondContact O-N 3.3Å; R840-R843 PolarHBondContact O-N 2.86Å; R840-E844 PolarHBondContact O-N 2.78Å; R840-E844 VanDerWaalsContact O-N 3.15Å
841L69.2Low62.1Low111 Ų111130.2 Ų130.258%0.58165%0.646SS**Hα-helixtrans-67.2-43.6179.3-143.479.3000112.5D837 L838 R843 E844 L845D837-L841 PolarHBondContact O-N 3.07Å; L838-L841 WeakPolarHBondContact O-CB 3.33Å; L838-L841 PolarHBondContact O-N 3.11Å; L838-L841 VanDerWaalsContact O-N 3.12Å; L841-R843 VanDerWaalsContact C-N 3.3Å; L841-R843 PolarHBondContact O-N 2.79Å; L841-E844 PolarHBondContact O-N 3.34Å; L841-L845 PolarHBondContact O-N 2.79Å
842E71.3Confident62.3Low122 Ų122128.8 Ų128.857%0.5764%0.644SS**Hα-helixtrans-56.1-45.6173.8-70.7172.713600111.1L838 E844 L845 E846L838-E842 PolarHBondContact O-N 2.89Å; E842-E844 VanDerWaalsContact C-N 3.34Å; E842-E844 PolarHBondContact O-N 2.8Å; E842-L845 WeakPolarHBondContact O-CB 3.35Å; E842-L845 PolarHBondContact O-N 3.27Å; E842-L845 VanDerWaalsContact O-N 3.12Å; E842-E846 PolarHBondContact O-N 3.41Å
843R73.5Confident62.3Low172 Ų172122.5 Ų122.565%0.64963%0.629SS**Hα-helixtrans-70-26.6-178.2-163.6172.6-176.91732.1113.8R840 L841 N847R840-R843 PolarHBondContact O-N 2.86Å; L841-R843 VanDerWaalsContact C-N 3.3Å; L841-R843 PolarHBondContact O-N 2.79Å; R843-N847 WeakPolarHBondContact O-CB 3.21Å; R843-N847 VanDerWaalsContact O-CG 3.27Å; R843-N847 PolarHBondContact O-N 3.41Å; R843-N847 PolarHBondContact O-ND2 3.4Å
844E72.7Confident62.2Low111 Ų111120.7 Ų120.752%0.51962%0.617SS.*Hα-helixtrans-73.4-31.6171-75.3-179.2-177.500112.2R840 L841 E842 R848R840-E844 PolarHBondContact O-N 2.78Å; R840-E844 VanDerWaalsContact O-N 3.15Å; L841-E844 PolarHBondContact O-N 3.34Å; E842-E844 VanDerWaalsContact C-N 3.34Å; E842-E844 PolarHBondContact O-N 2.8Å; E844-R848 PolarHBondContact O-N 3.05Å
845L67.7Low62.2Low120 Ų120117.9 Ų117.963%0.62861%0.612SS**Hα-helixtrans-71.2-45.2173.1-74.8162.6000111.9L841 E842 N847 R848 G849L841-L845 PolarHBondContact O-N 2.79Å; E842-L845 WeakPolarHBondContact O-CB 3.35Å; E842-L845 PolarHBondContact O-N 3.27Å; E842-L845 VanDerWaalsContact O-N 3.12Å; L845-N847 VanDerWaalsContact C-N 3.34Å; L845-N847 PolarHBondContact O-N 2.75Å; L845-R848 PolarHBondContact O-N 3.4Å; L845-G849 PolarHBondContact O-N 3.2Å
846E65.2Low62.2Low131 Ų131120.8 Ų120.861%0.61262%0.618SS**Hα-helixtrans-57.4-45174.5-70.6-176.2121.700112.2E842 R848 G849 R850E842-E846 PolarHBondContact O-N 3.41Å; E846-R848 PolarHBondContact O-N 3.19Å; E846-G849 PolarHBondContact O-N 3.27Å; E846-R850 PolarHBondContact O-N 3.41Å
847N64.9Low62.4Low95 Ų95118.2 Ų118.251%0.50861%0.608SS.*Hα-helixtrans-60.7-43.8177.2-79.7-12.6000111.9R843 L845 G849 R850 S851R843-N847 WeakPolarHBondContact O-CB 3.21Å; R843-N847 VanDerWaalsContact O-CG 3.27Å; R843-N847 PolarHBondContact O-N 3.41Å; R843-N847 PolarHBondContact O-ND2 3.4Å; L845-N847 VanDerWaalsContact C-N 3.34Å; L845-N847 PolarHBondContact O-N 2.75Å; N847-G849 VanDerWaalsContact C-N 3.31Å; N847-G849 PolarHBondContact O-N 3.15Å; N847-R850 PolarHBondContact O-N 3.42Å; N847-S851 PolarHBondContact O-N 3.4Å; N847-S851 VanDerWaalsContact O-N 3.09Å; N847-S851 PolarHBondContact O-OG 3.12Å
848R65.3Low62.5Low205 Ų205119.2 Ų119.277%0.77461%0.609SS**Hα-helixtrans-63.3-35.6175.7-89.6-175168.3176.2-1.4113E844 L845 E846E844-R848 PolarHBondContact O-N 3.05Å; L845-R848 PolarHBondContact O-N 3.4Å; E846-R848 PolarHBondContact O-N 3.19Å
849G53.1Low62.8Low49 Ų49120.5 Ų120.551%0.50561%0.612SS.*Hα-helixtrans-61.8-49.4173.700000112.1L845 E846 N847 S851 A852L845-G849 PolarHBondContact O-N 3.2Å; E846-G849 PolarHBondContact O-N 3.27Å; N847-G849 VanDerWaalsContact C-N 3.31Å; N847-G849 PolarHBondContact O-N 3.15Å; G849-S851 PolarHBondContact O-N 3.44Å; G849-A852 PolarHBondContact O-N 3.21Å
850R57.2Low62.6Low168 Ų168116.1 Ų116.163%0.63461%0.606SS**Hα-helixtrans-65.1-36.7-179.7-70.6-171.6179.7-114.4-2113.3E846 N847 A852E846-R850 PolarHBondContact O-N 3.41Å; N847-R850 PolarHBondContact O-N 3.42Å; R850-A852 PolarHBondContact O-N 3.32Å
851S55.8Low62.5Low104 Ų104113.6 Ų113.673%0.72760%0.601SS**Hα-helixtrans-67-15.8179-62.10000114.9N847 G849N847-S851 PolarHBondContact O-N 3.4Å; N847-S851 VanDerWaalsContact O-N 3.09Å; N847-S851 PolarHBondContact O-OG 3.12Å; G849-S851 PolarHBondContact O-N 3.44Å
852A54.8Low62.7Low91 Ų91113 Ų11375%0.75260%0.599SS**THydrogen-bonded Turntrans-86.4-12.9-17700000114.5G849 R850G849-A852 PolarHBondContact O-N 3.21Å; R850-A852 PolarHBondContact O-N 3.32Å
853A54.6Low62.7Low66 Ų66112.7 Ų112.755%0.54560%0.6SS.*SBendtrans-116.24-17300000114.3
854G52.3Low62.5Low35 Ų35111.6 Ų111.636%0.36160%0.597SS.*Hα-helixtrans-75.3-27.9-161.900000117E858G854-E858 WeakPolarHBondContact O-CB 3.41Å; G854-E858 PolarHBondContact O-N 3.5Å
855V52.5Low62.5Low111 Ų111109.6 Ų109.667%0.67360%0.595SS**Hα-helixtrans-78.6-55.4-164.4-170.40000112.5V857 E858 E859V855-V857 VanDerWaalsContact C-N 3.31Å; V855-V857 PolarHBondContact O-N 3.34Å; V855-E858 PolarHBondContact O-N 3.15Å; V855-E859 PolarHBondContact O-N 3Å
856D55.9Low62.8Low129 Ų129112.1 Ų112.169%0.6960%0.596SS**Hα-helixtrans-70.4-28.6-172.8-52.2-40.3000112.8T860D856-T860 WeakPolarHBondContact O-CB 3.35Å; D856-T860 PolarHBondContact O-N 3.37Å; D856-T860 PolarHBondContact O-OG1 3.41Å
857V62Low63Low82 Ų82109.4 Ų109.450%0.49759%0.589SS.*Hα-helixtrans-73.9-44.9178.4-176.90000110.8V855 E859 T860 E861V855-V857 VanDerWaalsContact C-N 3.31Å; V855-V857 PolarHBondContact O-N 3.34Å; V857-E859 PolarHBondContact O-N 2.95Å; V857-T860 PolarHBondContact O-N 3.04Å; V857-T860 VanDerWaalsContact O-N 3.16Å; V857-E861 PolarHBondContact O-N 3.25Å
858E64.6Low63.1Low128 Ų128107.5 Ų107.560%0.59858%0.577SS**Hα-helixtrans-68-36.4-176.9-172.7168.1-166.400112.1G854 V855 T860 N862G854-E858 WeakPolarHBondContact O-CB 3.41Å; G854-E858 PolarHBondContact O-N 3.5Å; V855-E858 PolarHBondContact O-N 3.15Å; E858-T860 VanDerWaalsContact C-N 3.35Å; E858-N862 VanDerWaalsContact O-CB 3.3Å; E858-N862 WeakPolarHBondContact O-CB 3.48Å; E858-N862 PolarHBondContact O-N 3.23Å; E858-N862 VanDerWaalsContact O-N 3.09Å; E858-N862 PolarHBondContact O-ND2 3.42Å
859E65.5Low63.2Low148 Ų148100.5 Ų100.569%0.69256%0.559SS**Hα-helixtrans-64.1-39.5170.9-70.7-153.8136.200112.2V855 V857 N862 L863V855-E859 PolarHBondContact O-N 3Å; V857-E859 PolarHBondContact O-N 2.95Å; E859-N862 PolarHBondContact O-N 3.43Å; E859-L863 WeakPolarHBondContact O-CB 3.45Å; E859-L863 PolarHBondContact O-N 3.43Å
860T64.9Low63.6Low95 Ų95103.5 Ų103.558%0.58356%0.56SS**Hα-helixtrans-67.3-45.7-178.8-58.30000112.1D856 V857 E858 L863 Y864D856-T860 WeakPolarHBondContact O-CB 3.35Å; D856-T860 PolarHBondContact O-N 3.37Å; D856-T860 PolarHBondContact O-OG1 3.41Å; V857-T860 PolarHBondContact O-N 3.04Å; V857-T860 VanDerWaalsContact O-N 3.16Å; E858-T860 VanDerWaalsContact C-N 3.35Å; T860-L863 PolarHBondContact O-N 3.12Å; T860-Y864 PolarHBondContact O-N 2.96Å
861E69.3Low63.4Low112 Ų112100.9 Ų100.952%0.52356%0.558SS.*Hα-helixtrans-67.1-37.1176.2-69.9-165145.900112.4V857 Y864 S865V857-E861 PolarHBondContact O-N 3.25Å; E861-Y864 PolarHBondContact O-N 3.34Å; E861-S865 VanDerWaalsContact O-CB 3.28Å; E861-S865 WeakPolarHBondContact O-CB 3.47Å; E861-S865 PolarHBondContact O-N 3.26Å; E861-S865 PolarHBondContact O-OG 3.02Å
862N73.2Confident63.3Low99 Ų99105 Ų10553%0.52956%0.558SS.*Hα-helixtrans-64.1-42.1173.5-86.8-71.3000111.7E858 E859 S865 R866E858-N862 VanDerWaalsContact O-CB 3.3Å; E858-N862 WeakPolarHBondContact O-CB 3.48Å; E858-N862 PolarHBondContact O-N 3.23Å; E858-N862 VanDerWaalsContact O-N 3.09Å; E858-N862 PolarHBondContact O-ND2 3.42Å; E859-N862 PolarHBondContact O-N 3.43Å; N862-S865 PolarHBondContact O-N 3.24Å; N862-R866 WeakPolarHBondContact O-CB 3.26Å; N862-R866 PolarHBondContact O-N 3.14Å
863L72.1Confident63.3Low116 Ų116105 Ų10561%0.60755%0.548SS*.Hα-helixtrans-62.3-47.5176.9-172.867.2000111.3E859 T860 S865 R866 V867E859-L863 WeakPolarHBondContact O-CB 3.45Å; E859-L863 PolarHBondContact O-N 3.43Å; T860-L863 PolarHBondContact O-N 3.12Å; L863-S865 PolarHBondContact O-N 3.37Å; L863-R866 WeakPolarHBondContact O-CB 3.48Å; L863-R866 PolarHBondContact O-N 3.48Å; L863-R866 VanDerWaalsContact O-N 3.17Å; L863-V867 PolarHBondContact O-N 3.22Å; L863-V867 VanDerWaalsContact O-N 3.08Å
864Y68.5Low62.8Low149 Ų149108.4 Ų108.458%0.58456%0.558SS**Hα-helixtrans-60.7-43.7177.2-173.5-110.4000112T860 E861 R866 V867 Q868T860-Y864 PolarHBondContact O-N 2.96Å; E861-Y864 PolarHBondContact O-N 3.34Å; Y864-R866 VanDerWaalsContact C-N 3.3Å; Y864-R866 PolarHBondContact O-N 2.98Å; Y864-V867 PolarHBondContact O-N 3Å; Y864-Q868 HydrophobicContact CD1-CG 4.27Å; Y864-Q868 HydrophobicContact CE1-CG 3.95Å; Y864-Q868 HydrophobicContact CE2-CG 4.35Å; Y864-Q868 WeakPolarHBondContact O-CB 3.28Å; Y864-Q868 WeakPolarHBondContact O-CG 3.46Å; Y864-Q868 PolarHBondContact O-N 2.7Å; Y864-Q868 PolarHBondContact OH-NE2 3.13Å
865S73.5Confident62.5Low68 Ų68118 Ų11848%0.47658%0.583SS.*Hα-helixtrans-62.8-34.6175.7-61.40000112.8E861 N862 L863 S869E861-S865 VanDerWaalsContact O-CB 3.28Å; E861-S865 WeakPolarHBondContact O-CB 3.47Å; E861-S865 PolarHBondContact O-N 3.26Å; E861-S865 PolarHBondContact O-OG 3.02Å; N862-S865 PolarHBondContact O-N 3.24Å; L863-S865 PolarHBondContact O-N 3.37Å; S865-S869 WeakPolarHBondContact O-CB 3.38Å; S865-S869 PolarHBondContact O-N 3.41Å; S865-S869 PolarHBondContact O-OG 3.39Å
866R73.6Confident61.7Low173 Ų173123.6 Ų123.665%0.65359%0.592SS**Hα-helixtrans-69-39176.5-150.7173.8-157.2155.34.3112.2N862 L863 Y864 S869 Q870N862-R866 WeakPolarHBondContact O-CB 3.26Å; N862-R866 PolarHBondContact O-N 3.14Å; L863-R866 WeakPolarHBondContact O-CB 3.48Å; L863-R866 PolarHBondContact O-N 3.48Å; L863-R866 VanDerWaalsContact O-N 3.17Å; Y864-R866 VanDerWaalsContact C-N 3.3Å; Y864-R866 PolarHBondContact O-N 2.98Å; R866-S869 WeakPolarHBondContact CA-OG 3.5Å; R866-S869 PolarHBondContact O-OG 3.23Å; R866-Q870 VanDerWaalsContact O-CG 3.32Å; R866-Q870 WeakPolarHBondContact O-CG 3.47Å; R866-Q870 PolarHBondContact O-N 3.34Å
867V68.8Low60.9Low74 Ų74122.7 Ų122.745%0.44860%0.596SS.*Hα-helixtrans-69.9-47174.6175.40000110.9L863 Y864 S869 Q870 L871L863-V867 PolarHBondContact O-N 3.22Å; L863-V867 VanDerWaalsContact O-N 3.08Å; Y864-V867 PolarHBondContact O-N 3Å; V867-S869 VanDerWaalsContact C-N 3.31Å; V867-S869 PolarHBondContact O-N 3.35Å; V867-Q870 PolarHBondContact O-N 3.39Å; V867-L871 HydrophobicContact CG1-CD1 3.93Å; V867-L871 WeakPolarHBondContact O-CG 3.29Å; V867-L871 PolarHBondContact O-N 3.46Å
868Q68Low59.7Low55 Ų55124.6 Ų124.626%0.25761%0.613SS.*Hα-helixtrans-61.8-34.1178.2-77.8-73.1-15.100113.4Y864 R872Y864-Q868 HydrophobicContact CD1-CG 4.27Å; Y864-Q868 HydrophobicContact CE1-CG 3.95Å; Y864-Q868 HydrophobicContact CE2-CG 4.35Å; Y864-Q868 WeakPolarHBondContact O-CB 3.28Å; Y864-Q868 WeakPolarHBondContact O-CG 3.46Å; Y864-Q868 PolarHBondContact O-N 2.7Å; Y864-Q868 PolarHBondContact OH-NE2 3.13Å; Q868-R872 WeakPolarHBondContact O-CG 3.33Å; Q868-R872 PolarHBondContact O-N 3.1Å
869S67.5Low58.9Low59 Ų59124 Ų12441%0.41362%0.618SS.*Hα-helixtrans-72.4-43.8175.247.30000112.3S865 R866 V867 L871 R872 T873S865-S869 WeakPolarHBondContact O-CB 3.38Å; S865-S869 PolarHBondContact O-N 3.41Å; S865-S869 PolarHBondContact O-OG 3.39Å; R866-S869 WeakPolarHBondContact CA-OG 3.5Å; R866-S869 PolarHBondContact O-OG 3.23Å; V867-S869 VanDerWaalsContact C-N 3.31Å; V867-S869 PolarHBondContact O-N 3.35Å; S869-L871 PolarHBondContact O-N 2.86Å; S869-R872 PolarHBondContact O-N 2.87Å; S869-R872 VanDerWaalsContact O-N 3.1Å; S869-T873 PolarHBondContact O-N 3.34Å; S869-T873 PolarHBondContact O-OG1 3.22Å
870Q60.6Low57.8Low112 Ų112122.3 Ų122.352%0.52362%0.619SS.*Hα-helixtrans-61-41.7175.8-72.1176.316.100112.8R866 V867 R872 T873 N874R866-Q870 VanDerWaalsContact O-CG 3.32Å; R866-Q870 WeakPolarHBondContact O-CG 3.47Å; R866-Q870 PolarHBondContact O-N 3.34Å; V867-Q870 PolarHBondContact O-N 3.39Å; Q870-R872 PolarHBondContact O-N 3.03Å; Q870-T873 WeakPolarHBondContact CA-OG1 3.45Å; Q870-T873 PolarHBondContact O-N 3.22Å; Q870-T873 PolarHBondContact O-OG1 3.07Å; Q870-N874 PolarHBondContact O-N 3.5Å; Q870-N874 PolarHBondContact O-OD1 3.45Å
871L53.6Low56.7Low113 Ų113123.7 Ų123.759%0.59263%0.63SS**Hα-helixtrans-62.3-31174.7-72.9168.7000112.8V867 S869V867-L871 HydrophobicContact CG1-CD1 3.93Å; V867-L871 WeakPolarHBondContact O-CG 3.29Å; V867-L871 PolarHBondContact O-N 3.46Å; S869-L871 PolarHBondContact O-N 2.86Å
872R53.8Low55.4Low189 Ų189130.1 Ų130.171%0.71365%0.65SS**Hα-helixtrans-82.9-29177.9-75.2173.7173.8147.71.1113.5Q868 S869 Q870Q868-R872 WeakPolarHBondContact O-CG 3.33Å; Q868-R872 PolarHBondContact O-N 3.1Å; S869-R872 PolarHBondContact O-N 2.87Å; S869-R872 VanDerWaalsContact O-N 3.1Å; Q870-R872 PolarHBondContact O-N 3.03Å
873T54.3Low54Low91 Ų91131.8 Ų131.856%0.55866%0.663SS**Hα-helixtrans-76.3-34.9176.849.40000113.1S869 Q870 R875 R876S869-T873 PolarHBondContact O-N 3.34Å; S869-T873 PolarHBondContact O-OG1 3.22Å; Q870-T873 WeakPolarHBondContact CA-OG1 3.45Å; Q870-T873 PolarHBondContact O-N 3.22Å; Q870-T873 PolarHBondContact O-OG1 3.07Å; T873-R875 PolarHBondContact O-N 3.4Å; T873-R875 VanDerWaalsContact O-N 3.15Å; T873-R876 PolarHBondContact O-N 3.02Å
874N45.4Very low52.7Low139 Ų139131.7 Ų131.774%0.74367%0.67SS**THydrogen-bonded Turntrans-72.3-8.4-171.4-72.98.3000115.1Q870Q870-N874 PolarHBondContact O-N 3.5Å; Q870-N874 PolarHBondContact O-OD1 3.45Å
875R44.8Very low51.5Low236 Ų236130 Ų13089%0.89168%0.677SS**THydrogen-bonded Turntrans-9816.7174.4-68.1-167176.2-159.1-1114.1T873T873-R875 PolarHBondContact O-N 3.4Å; T873-R875 VanDerWaalsContact O-N 3.15Å
876R35.1Very low50.1Low229 Ų229132.5 Ų132.586%0.86469%0.692SS**SBendtrans-150.747.3-170.7-133.7174.2-165.3-109.63.1117.8T873T873-R876 PolarHBondContact O-N 3.02Å
877S40.3Very low48.4Very low109 Ų109130.4 Ų130.476%0.76270%0.7SS**  trans-149.9118.6159.8-167.40000113.7
878S35.9Very low47.1Very low123 Ų123135.9 Ų135.986%0.8672%0.721SS**  trans-135.444.8167.956.10000110.6
879V47.6Very low45.8Very low115 Ų115138.5 Ų138.570%0.69775%0.745SS**  trans-131.9121178.2-176.40000109.2
880P43.1Very low44.4Very low112 Ų112144.2 Ų144.273%0.72777%0.766SS**PPolyproline II helixtrans-71.814117829.2-34000111.1
881P42.8Very low43.5Very low125 Ų125143.3 Ų143.381%0.81277%0.769SS**PPolyproline II helixtrans-69.8133.5178.928.7-34000111.1
882R40.1Very low42.7Very low247 Ų247145.7 Ų145.793%0.93278%0.778SS**PPolyproline II helixtrans-72.2134169.1-73.5-177.7172.5-124-0.3110
883T43.9Very low41.8Very low133 Ų133142.8 Ų142.882%0.81678%0.776SS**PPolyproline II helixtrans-70.1136.4175.838.10000111.8
884P46.4Very low41Very low114 Ų114145.5 Ų145.574%0.7479%0.786SS**PPolyproline II helixtrans-82.9155.2171.934-34.3000111.8
885P42.4Very low40.6Very low115 Ų115147.3 Ų147.375%0.74779%0.789SS**PPolyproline II helixtrans-75.6156.9172.732.7-35.4000112.2
886P43.7Very low40.3Very low120 Ų120141.9 Ų141.978%0.77979%0.785SS**PPolyproline II helixtrans-75.3145.5-179.631.1-35.4000112.8
887P38.4Very low40.4Very low128 Ų128138.6 Ų138.683%0.83178%0.784SS**PPolyproline II helixtrans-86.2150-179.834.4-35.1000113.1
888Q42.4Very low40Very low190 Ų190140.3 Ų140.389%0.88879%0.785SS**  trans-109.9127.4169-72.8-174.9-19.700111.6
889S40.5Very low40Very low109 Ų109140.8 Ų140.876%0.76278%0.783SS**  trans3.2116.3159.650.30000118.5
890Q37.5Very low39.2Very low180 Ų180143.7 Ų143.784%0.84179%0.788SS**  50.515671.1-96.4-163.230.800116.1
891P42.3Very low38.8Very low92 Ų92149.2 Ų149.260%0.59780%0.797SS**  cis-142.4-160.8-7.529.9-4.2000114.9
892Q36.1Very low38.2Very low164 Ų164151.9 Ų151.977%0.76680%0.798SS**  trans77.6144.1159.5-54.5-89-13.200116.7
893N36Very low38.1Very low128 Ų128149.5 Ų149.568%0.68480%0.795SS**  cis-169.6178.4-23.3-143-14.9000106
894I37Very low37.6Very low148 Ų148151.7 Ų151.776%0.75980%0.796SS**  cis-139.4178.916.1-57.7176.8000109.8
895Q37.3Very low37Very low176 Ų176152.1 Ų152.182%0.82280%0.796SS**  trans-55.3168.9-178.2-65.1173.8-2.500120
896P38.3Very low36.6Very low122 Ų122152.8 Ų152.879%0.79280%0.798SS**  trans-103.6174.5-177.941.5-36.6000115.1
897N37.3Very low36.3Very low160 Ų160151.3 Ų151.386%0.85680%0.796SS**  trans-156.5165.6155.6-138.6-29.4000114.5
898N30.9Very low36.3Very low145 Ų145151 Ų15178%0.77579%0.794SS**  trans-76159.7-178.3-84.9-57.1000114.6
899V36.4Very low35.9Very low134 Ų134149 Ų14981%0.81279%0.79SS**  -174.3150.4121.2144.50000110.8
900Q29.7Very low35.6Very low175 Ų175149 Ų14982%0.81879%0.785SS**  trans-80.2153.9-176.7-54.2159.3-56.300113.3
901Y36Very low35.6Very low229 Ų229148.4 Ų148.490%0.89878%0.782SS**  trans-148.5143.9146.5-93.8-70.6000112.2
902Q30.3Very low35.1Very low180 Ų180152.3 Ų152.384%0.84179%0.792SS**  trans-114.4148.3177.9-72.2-179-29.300112.3
903K37.4Very low35Very low198 Ų198155.9 Ų155.986%0.86180%0.801SS**  trans-177.6129.5155-104.5158.3-173.9179.40106.8
904Q33.1Very low34.7Very low179 Ų179158.5 Ų158.584%0.83681%0.809SS**  55.5131.152.3-61.9-169.9-2.800112
905T34Very low34.5Very low122 Ų122155.5 Ų155.575%0.74881%0.806SS**  cis-139.2-177.920.660.90000110.2
906T34.8Very low34.4Very low130 Ų130155.9 Ų155.980%0.79881%0.808SS**  cis-162.2173.4-6.12.20000109.4
907A36.8Very low34Very low88 Ų88157.9 Ų157.973%0.72781%0.807SS**  trans-123.1155.7161.300000110.8
908P38.3Very low33.8Very low122 Ų122157.3 Ų157.379%0.79280%0.798SS**  -143.9173.3106.527.4-6.6000112.9
909N34.5Very low33.8Very low148 Ų148157.1 Ų157.179%0.79179%0.793SS**  cis112.3131.75.6-163.830000116.2
910T33.3Very low33.9Very low109 Ų109157.6 Ų157.667%0.66979%0.786SS**  trans90.5150.1158.3-14.10000122.1
911Q37.3Very low34.2Very low167 Ų167156.1 Ų156.178%0.7878%0.78SS**  trans86.2108.6166.4-55-177.144.200116.3
912Q32.1Very low34.2Very low174 Ų174150.8 Ų150.881%0.81377%0.767SS**  76.311463.2-78.1-168.6-28.900115
913Y34.2Very low34.5Very low239 Ų239152.3 Ų152.394%0.93777%0.771SS**  -167168126.4-112-75.3000110.6
914Q29.7Very low34.6Very low183 Ų183150.9 Ų150.986%0.85577%0.767SS**  trans-127.7158-175.5-73.4-175.9-21.600113.4
915A32.7Very low35Very low85 Ų85147.9 Ų147.970%0.70276%0.763SS**  trans81160.3149.300000120.6
916Q34.6Very low35.7Very low185 Ų185148 Ų14886%0.86477%0.766SS**  trans71.3111.1174.1-50.6-178.944.900114.2
917Q31.3Very low35.8Very low164 Ų164146.3 Ų146.377%0.76677%0.765SS**  86.713252.9-76.2-161.515.500115.2
918H33.4Very low36.4Very low147 Ų147150.2 Ų150.268%0.68177%0.77SS**  trans76114160.7-68119.6000121.8
919Q30.4Very low36.4Very low141 Ų141152.2 Ų152.266%0.65977%0.769SS**  86.9127.5124-75.2-172.253.600122.7
920Q37.3Very low36.4Very low145 Ų145154.4 Ų154.468%0.67877%0.772SS**  trans68152.2147.5-62.1-174.962.400117.7
921Q36.7Very low36.8Very low144 Ų144154.4 Ų154.467%0.67377%0.773SS**  cis-149.9131.2-17.1-117.9-167.280.300107.6
922N36.3Very low37.2Very low117 Ų117152.2 Ų152.263%0.62677%0.772SS**  67.4119.2103.2-17530.5000117.2
923F36.4Very low37.5Very low212 Ų212149.5 Ų149.593%0.9377%0.769SS**  trans-160.1140.8140.9-105.1-67.8000111.5
924Q38.5Very low37.5Very low168 Ų168149.8 Ų149.879%0.78577%0.768SS**  trans-159.3153.4-175.7-168.3-170.646.400109.9
925P42.6Very low37.9Very low116 Ų116145.8 Ų145.875%0.75376%0.758SS**  trans-148.4177.7141.840.5-25.5000114
926P49.2Very low38Very low125 Ų125150.2 Ų150.281%0.81276%0.764SS**  -132.1-175.5-52.639.7-24.1000112.4
927A36.5Very low38.2Very low93 Ų93151 Ų15177%0.76977%0.765SS**  trans-152.3164179.500000115.1
928M48.3Very low38.4Very low170 Ų170151.7 Ų151.784%0.83777%0.769SS**  trans-139.6110.7168.4-63.1-176.37800109.2
929Q39.2Very low38.8Very low164 Ų164149.1 Ų149.177%0.76677%0.772SS**  67.1108.493.7-67.8-173.964.700114
930K34.3Very low39.5Very low195 Ų195148.3 Ų148.385%0.84878%0.779SS**  100.3161.362-104.3-168.9174.2-178.10111.3
931P42.5Very low39.9Very low108 Ų108148.9 Ų148.970%0.70179%0.785SS**  cis-125.8174.3-26.730-8.5000112.6
932T44.5Very low41Very low122 Ų122147.2 Ų147.275%0.74879%0.787SS**  161.5150.389.6-54.80000108.8
933P38.6Very low42.2Very low117 Ų117147.3 Ų147.376%0.7679%0.794SS**  trans-111.8169.6-166.941.3-35.1000117.5
934R34.7Very low43.2Very low245 Ų245142.6 Ų142.693%0.92579%0.785SS**  trans-147.4166.4159.5-99.7-158176.4-130.9-3.8111.6
935P38.6Very low43.8Very low98 Ų98140.7 Ų140.764%0.63679%0.787SS**  trans-111.1169.2-131.641.5-38.1000117
936Q34.2Very low43.6Very low178 Ų178143.9 Ų143.983%0.83279%0.792SS**  trans-71.8148.3163.9-65.2168.5-3900111.2
937F38.1Very low43.1Very low201 Ų201147.2 Ų147.288%0.88280%0.797SS**  trans-113122.9158.9-93.4-90.4000108.8
938Q35.9Very low43.1Very low180 Ų180151.4 Ų151.484%0.84180%0.8SS**PPolyproline II helixtrans-98.9130.5164.5-70.1176.5-57.300108
939A42.8Very low42.6Very low92 Ų92152.3 Ų152.376%0.7680%0.803SS**PPolyproline II helixtrans-78.8142.2164.900000109.4
940P45.2Very low43Very low124 Ų124149.7 Ų149.781%0.80580%0.8SS**PPolyproline II helixtrans-82.2132.8-174.231.6-33.8000112.4
941I45Very low43.1Very low157 Ų157147.3 Ų147.381%0.80580%0.796SS**PPolyproline II helixtrans-79.7129.1168.7-60.2171.3000108.4
942P59.3Low42.8Very low110 Ų110147.7 Ų147.771%0.71480%0.797SS**PPolyproline II helixtrans-71.2143.9175.529.3-34.1000111.6
943P60.9Low42.5Very low118 Ų118147.1 Ų147.177%0.76679%0.793SS**PPolyproline II helixtrans-80.3149.9-177.832.6-35.4000112.7
944P58.3Low42.3Very low113 Ų113148 Ų14873%0.73480%0.796SS**PPolyproline II helixtrans-71153.2174.630.4-35.5000112.2Q946P944-Q946 PolarHBondContact O-N 2.88Å
945P51.9Low42.4Very low128 Ų128142.5 Ų142.583%0.83179%0.789SS**PPolyproline II helixtrans-66.5128.1-178.4-20.132.8000113
946Q37Very low42.2Very low183 Ų183148.1 Ų148.186%0.85580%0.798SS**PPolyproline II helixtrans-85.7119.1168.9-65.4-1791.600110.2P944P944-Q946 PolarHBondContact O-N 2.88Å
947Q39.1Very low42.3Very low196 Ų196146.4 Ų146.492%0.91679%0.794SS**PPolyproline II helixtrans-100.1143.3156.3-72.3-163.83.400110.2
948Q36.4Very low42Very low181 Ų181143.7 Ų143.785%0.84679%0.789SS**PPolyproline II helixtrans-94.8130.9-160.4-61.7168.94.700111.6
949Q37.1Very low42.1Very low189 Ų189140 Ų14088%0.88379%0.789SS**PPolyproline II helixtrans-90.8127.1156.3-70.9-172.74.300109.5
950P47.6Very low41.7Very low109 Ų109141.1 Ų141.171%0.70879%0.791SS**PPolyproline II helixtrans-83.6123.9160.531.9-29.1000110.4
951N36.6Very low41.6Very low144 Ų144140.3 Ų140.377%0.7779%0.786SS**  52.8134.9128.6-62.5-16000119.8
952T37.6Very low41.2Very low116 Ų116139.4 Ų139.471%0.71278%0.783SS**  cis-168.3163.511.91.90000112.5
953T37Very low40.2Very low111 Ų111143.8 Ų143.868%0.68179%0.794SS**  trans55.3101.5143.7-52.90000118.3
954V34.5Very low39Very low136 Ų136149.1 Ų149.182%0.82480%0.798SS**  84.2154.759.4179.60000113.8
955V37.7Very low38.3Very low128 Ų128148.2 Ų148.278%0.77679%0.792SS**  trans95.374.7176.1-161.40000117.4
956R34.3Very low37.7Very low217 Ų217148.1 Ų148.182%0.81979%0.785SS**  trans-35.9135144.9-179-151.4-65.6-157.30113.9
957L35.1Very low38.3Very low141 Ų141147.1 Ų147.174%0.73878%0.78SS**  170.7143.3122.2-90.7167.5000116
958N32.9Very low38.6Very low145 Ų145142.9 Ų142.978%0.77577%0.77SS**  trans-1133.4159.9-52.9-6000121.8
959A37.8Very low38.7Very low102 Ų102139.5 Ų139.584%0.84377%0.766SS**  160.9152.3117.900000113
960S34.3Very low39.7Very low116 Ų116136.7 Ų136.781%0.81176%0.764SS**  trans-117.5-179.2173.8-35.70000109.4
961P44Very low39.5Very low106 Ų106136.6 Ų136.669%0.68876%0.764SS**  cis-136.1-166.3-8.140.8-22000114.2
962N35.8Very low39.7Very low139 Ų139136.8 Ų136.874%0.74376%0.763SS**  trans63.3107.9151.1-68.8-12000121.1
963Q38.2Very low39.7Very low202 Ų202139.3 Ų139.394%0.94477%0.767SS**  -171.8175.2100-100.516873.300113.8
964R36Very low39.5Very low230 Ų230142.2 Ų142.287%0.86878%0.775SS**  trans-111.7-173.1-174.8-115.2-165.7-167.9-154.36.8109.6
965P43.3Very low39.7Very low94 Ų94144 Ų14461%0.6178%0.779SS**  cis-142.9-173.317.247-28.1000117.4
966D40Very low39.8Very low125 Ų125145.8 Ų145.867%0.66878%0.779SS**  trans57.4158.8146.1-60.1-22.6000121.7
967Q48.8Very low40.2Very low163 Ų163140.3 Ų140.376%0.76277%0.771SS**  cis-167-168.3-17.8-113.2-158.916.500107.6
968P45.8Very low40.2Very low107 Ų107141.8 Ų141.870%0.69578%0.779SS**  -127.9-173.1-52.538.5-21.8000113
969S37.4Very low40.1Very low110 Ų110140.2 Ų140.277%0.76978%0.775SS**  trans-113.2153.9169.4-53.80000112.5
970P58Low40.1Very low129 Ų129143.4 Ų143.484%0.83878%0.776SS**  trans-85.3158175.834.3-35000114.1
971P43.7Very low40.4Very low108 Ų108142.7 Ų142.770%0.70177%0.771SS**  trans-136.8-166.5-160.134.1-9.8000116.5
972I40.8Very low40.7Very low148 Ų148143.4 Ų143.476%0.75978%0.775SS**  trans65.6151.6165.18.6179.4000116.4
973Q37.7Very low41.1Very low169 Ų169143.1 Ų143.179%0.7978%0.781SS**  cis-136.9137.27-53.6174.42.900108.5
974M33.4Very low41.1Very low171 Ų171137.2 Ų137.284%0.84278%0.775SS**  54.9111.971.8-82.8-147.6-179.700117.5
975L39.4Very low41Very low175 Ų175135.1 Ų135.192%0.91678%0.775SS**  trans-161.8159.2138.6-107.5166000110.5
976Q40.1Very low40.6Very low165 Ų165136.8 Ų136.877%0.77178%0.783SS**  trans-131.4-161.4-173.7-65-174.7-0.800109.8
977P41.8Very low40.5Very low102 Ų102139.6 Ų139.666%0.66279%0.793SS**  -120.1-168.5-72.435.8-20.8000110.6
978L34Very low39.6Very low171 Ų171138 Ų13890%0.89579%0.794SS**  trans-160.3154.9139.7-112.4170.9000112
979T30.9Very low39.3Very low113 Ų113139.1 Ų139.169%0.69380%0.801SS**  trans-139.2130.8-166-32.70000110.8
980I38.7Very low39.2Very low168 Ų168140.2 Ų140.286%0.86280%0.803SS**  trans-138.4147.8167.6-61.3-175.1000109.3
981S39.7Very low38.2Very low102 Ų102143.2 Ų143.271%0.71381%0.806SS**  trans-113.4164-161.2-60.20000114.1
982P51.9Low37.9Very low120 Ų120143 Ų14378%0.77981%0.807SS**  trans-89-177.9179.240.3-38.7000112.4
983P43.9Very low37.8Very low134 Ų134142.1 Ų142.187%0.8781%0.811SS**  -151.3177.193.440.8-23.7000115.7
984G37.5Very low37.9Very low78 Ų78145.7 Ų145.780%0.80482%0.817SS**  trans162.599.3165.400000114.3
985Q33.2Very low38.1Very low186 Ų186145.3 Ų145.387%0.86982%0.818SS**  trans-116.7138.8178.1-61.8176.90.400111.7
986T35.3Very low38.3Very low129 Ų129143.3 Ų143.379%0.79181%0.813SS**  trans-158.5107.4140.65.20000113.8
987Q37.4Very low38.8Very low184 Ų184140.7 Ų140.786%0.8681%0.81SS**  trans48.6126.8135.5-58.7177.625.800121.8
988T31.4Very low39.2Very low130 Ų130141.9 Ų141.980%0.79882%0.818SS**  trans-86.4167163.756.30000111.1
989P39Very low39.7Very low129 Ų129139.7 Ų139.784%0.83882%0.817SS**  -143.4167.493.338.5-23.5000116.3
990V34.6Very low40.4Very low134 Ų134139.1 Ų139.181%0.81282%0.824SS**  trans-62.3139.9-179.4175.60000114.2
991E37.6Very low40.8Very low192 Ų192139.8 Ų139.890%0.89782%0.823SS**  trans-146163140.2-142.7172.1-159.900111.6
992S37.8Very low41.4Very low103 Ų103141.1 Ų141.172%0.7283%0.83SS**  trans-85.8152.4-158.6-64.40000115.6
993P38.4Very low41.6Very low130 Ų130141.5 Ų141.584%0.84483%0.83SS**  trans-74.1150.2-177.431-36.4000113.6
994R39.9Very low42.5Very low243 Ų243140.5 Ų140.592%0.91782%0.823SS**  trans-126.4145.8168-109.9-178.3174.5-178.2-1110.7
995N37.3Very low43.8Very low163 Ų163142.4 Ų142.487%0.87282%0.822SS**  trans-56.4140.1-170.2-63.7-15.8000114.5
996V44.6Very low45.6Very low133 Ų133139.1 Ų139.181%0.80682%0.817SS**  trans-131.5125.4154.4-176.60000107.1
997P49.9Very low47Very low110 Ų110138.5 Ų138.571%0.71482%0.815SS**PPolyproline II helixtrans-82.8152.6179.633.6-34.4000112.2
998P51Low48.4Very low128 Ų128135.4 Ų135.483%0.83181%0.81SS**PPolyproline II helixtrans-72.4156.5172.231.4-34.7000112.3
999S43.3Very low50.2Low124 Ų124134.9 Ų134.987%0.86781%0.81SS**PPolyproline II helixtrans-71.6148.8-170.2-490000114.5
1000A46.2Very low51.3Low102 Ų102134.1 Ų134.184%0.84381%0.805SS**PPolyproline II helixtrans-79.3147.1175.300000112.8
1001Q48Very low52.5Low181 Ų181133.9 Ų133.985%0.84681%0.806SS**PPolyproline II helixtrans-78.7152.6165.5-70.7177.5-72.500110.8
1002P51.3Low53.1Low130 Ų130130.2 Ų130.284%0.84480%0.801SS**PPolyproline II helixtrans-71.5134.8173.430.3-34.2000111.1
1003T56.2Low53.4Low129 Ų129134 Ų13479%0.79181%0.81SS**PPolyproline II helixtrans-82.1150.8172.943.60000111.8
1004P62.6Low53.8Low112 Ų112132.1 Ų132.173%0.72781%0.805SS**PPolyproline II helixtrans-69.7152.1170.830.5-34.8000111.3
1005P65.1Low53.9Low118 Ų118126.7 Ų126.777%0.76680%0.801SS**PPolyproline II helixtrans-72.7151.4177.430.9-35.3000112.3
1006P69.8Low54.1Low118 Ų118124 Ų12477%0.76680%0.802SS**PPolyproline II helixtrans-73.2156.9177.631.4-35.9000112.7
1007P65.2Low53.8Low115 Ų115121.9 Ų121.975%0.74780%0.798SS**PPolyproline II helixtrans-68.8154.7174.830.1-35.7000112.3
1008P67.7Low53.4Low119 Ų119125.4 Ų125.477%0.77381%0.805SS**PPolyproline II helixtrans-70.2149.9178.829.8-35.4000112.4
1009P68.7Low52.6Low120 Ų120126.2 Ų126.278%0.77980%0.803SS**PPolyproline II helixtrans-73.4152179.730.9-35.7000112.6
1010P62.8Low52.5Low113 Ų113127.3 Ų127.373%0.73480%0.804SS**PPolyproline II helixtrans-67.9154.8173.829.9-35.4000112S1012P1010-S1012 PolarHBondContact O-N 2.99Å
1011P60.1Low52.1Low128 Ų128127.4 Ų127.483%0.83179%0.794SS**PPolyproline II helixtrans-66.5119.8-178.726.8-34.2000111.7M1013P1011-M1013 PolarHBondContact O-N 3.03Å
1012S48.7Very low51.8Low115 Ų115126.1 Ų126.180%0.80479%0.792SS**PPolyproline II helixtrans-78.2117.1179.3-175.50000111.6P1010 A1014P1010-S1012 PolarHBondContact O-N 2.99Å; S1012-A1014 PolarHBondContact O-N 3.38Å
1013M43.8Very low51.5Low184 Ų184125.7 Ų125.791%0.90679%0.789SS**  trans-74.6109.9167.1-68.3-174.973.400109.5P1011P1011-M1013 PolarHBondContact O-N 3.03Å
1014A48.5Very low51.2Low89 Ų89124.8 Ų124.874%0.73679%0.785SS**  trans-73.7128.4-17700000112.4S1012 A1016S1012-A1014 PolarHBondContact O-N 3.38Å; A1014-A1016 PolarHBondContact O-N 2.87Å
1015P40.1Very low50.7Low129 Ų129124.8 Ų124.884%0.83879%0.785SS**  trans-82.6103.4173.731.7-32000110.7
1016A43Very low49.6Very low107 Ų107125.2 Ų125.288%0.88479%0.788SS**  trans-87.3111.9175.400000111.3A1014A1014-A1016 PolarHBondContact O-N 2.87Å
1017A37.8Very low48.2Very low89 Ų89124.4 Ų124.474%0.73679%0.786SS**  trans-138.9156.2173.400000111.3
1018Q40.9Very low47.1Very low183 Ų183125.2 Ų125.286%0.85579%0.788SS**  trans7882.2172.1-50.6-169.91700118.1
1019N35.4Very low45.9Very low146 Ų146125.9 Ų125.978%0.78179%0.793SS**  59.793.3109-168.450.9000119.1
1020V40.3Very low44.3Very low147 Ų147127.7 Ų127.789%0.89180%0.795SS**  trans-134149.1155.3-177.70000108.4
1021T37.8Very low43.2Very low103 Ų103129.8 Ų129.863%0.63280%0.797SS**  trans-124.7157.5-154.6-320000114.4
1022L42Very low42.1Very low155 Ų155128.5 Ų128.581%0.81279%0.791SS**  trans81.4155.8164.9-53.7174.9000117.6
1023P44.3Very low42.3Very low120 Ų120128.6 Ų128.678%0.77979%0.789SS**  cis-126.4163.9-9.636.2-20.1000116
1024P51.6Low42.5Very low110 Ų110124.7 Ų124.771%0.71478%0.777SS**  trans-114.8-163.6169.744.1-34.6000112.2
1025P50.5Low41.9Very low112 Ų112127.3 Ų127.373%0.72778%0.777SS**  cis-113.5-140.5-39.129.6-6.4000109.4
1026P43.7Very low41.9Very low128 Ų128126.3 Ų126.383%0.83177%0.768SS**  -140.3-176.55738.5-17.4000115.5
1027S40Very low41.6Very low101 Ų101127.5 Ų127.571%0.70676%0.76SS**  trans-115.2148.9-170.6-48.70000115.2
1028T41.2Very low41.6Very low131 Ų131128.2 Ų128.280%0.80476%0.76SS**  trans25.5138.3144.660.30000120.9
1029P42.9Very low41.7Very low134 Ų134124.1 Ų124.187%0.8775%0.751SS**  -139.7-169.7102.940.5-29.1000115.5
1030L35.9Very low41.9Very low157 Ų157128.6 Ų128.682%0.82278%0.775SS**  trans-92.8171.2-162.6-125.872.1000115.6
1031M37.9Very low42Very low158 Ų158127.7 Ų127.778%0.77877%0.77SS**  trans84.8110.3148.9-78.6169.967.900122.3
1032S38.1Very low42.2Very low100 Ų100129 Ų12970%0.69978%0.777SS**  93129.7128-59.30000120.5
1033P53Low42.2Very low117 Ų117127.6 Ų127.676%0.7678%0.775SS**  trans-93.7-159.1170.345.9-39.9000109.1
1034P46.6Very low42.1Very low102 Ų102128 Ų12866%0.66278%0.775SS**  cis-140.4-147.83.430.1-2.4000113.8
1035I37.4Very low41.5Very low144 Ų144129.1 Ų129.174%0.73878%0.778SS**  trans100.3103.3143.2-84.1165.8000118.9
1036V38.9Very low40.9Very low108 Ų108130.3 Ų130.366%0.65578%0.782SS**  94.6108.3119.9163.40000121
1037N37.8Very low40.7Very low133 Ų133130.4 Ų130.471%0.71178%0.778SS**  79.7135.4128.9-73.424.6000123.7
1038S38.3Very low40.7Very low104 Ų104132.7 Ų132.773%0.72778%0.784SS**  trans71.3145.6131.2-670000119.6
1039S41.7Very low40.7Very low97 Ų97132.8 Ų132.868%0.67878%0.782SS**  cis-169.9136.6-12.243.90000110.4
1040D39.6Very low40.5Very low240 Ų240132.7 Ų132.7100%1.28377%0.774SS**  -165.60126.6-93.3-20.1000108.3

Retrieved 1,040 of 1,040 residues in 177.7 ms (Link to these results)