A0A087YGP7_POEFO Loading...

Galectin

AlphaFold DB , UniProt , Accession A0A087YGP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 373 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
1M44.7Very low47.3Very low244 Ų244131.8 Ų131.8100%1.20278%0.779SS**  0110.70-77.2165175.900105.2
2A43.1Very low47.1Very low103 Ų103133.4 Ų133.485%0.85178%0.781SS**  trans-82.7126.6-174.900000108.8F4A2-F4 PolarHBondContact O-N 3.1Å
3D45.2Very low47.2Very low167 Ų167135.8 Ų135.889%0.89379%0.789SS**  trans-66.9121.1171.6-85.2-44.3000109.5
4F48.2Very low46.9Very low176 Ų176134.3 Ų134.377%0.77278%0.783SS**  trans-91105.9174.1-163.1-99.2000108.6A2A2-F4 PolarHBondContact O-N 3.1Å
5S47.1Very low46.6Very low74 Ų74134.3 Ų134.352%0.51779%0.788SS.*  trans-93.7137.2175.1-179.90000109.8S7 D8S5-S7 PolarHBondContact O-N 3.13Å; S5-S7 PolarHBondContact OG-OG 3.17Å; S5-D8 PolarHBondContact O-N 3.5Å
6L47.3Very low46.2Very low156 Ų156133.3 Ų133.382%0.81779%0.791SS**THydrogen-bonded Turntrans-58.43.6177.6-99.6150.8000115.4
7S51.4Low45.7Very low97 Ų97136.8 Ų136.868%0.67880%0.798SS**THydrogen-bonded Turntrans-83.6-16.2176.4-39.40000113.5S5S5-S7 PolarHBondContact O-N 3.13Å; S5-S7 PolarHBondContact OG-OG 3.17Å
8D53.6Low45.4Very low139 Ų139135 Ų13574%0.74380%0.801SS**SBendtrans-92.3-2.8-175.3-132.68000113.2S5S5-D8 PolarHBondContact O-N 3.5Å
9A49.8Very low44.9Very low67 Ų67137.8 Ų137.855%0.55480%0.802SS**SBendtrans-94.71.1-177.500000114.2
10L47.5Very low44.6Very low158 Ų158141.5 Ų141.583%0.82781%0.808SS**  trans-111.283.1174.4-65.4177.4000109D12L10-D12 PolarHBondContact O-N 2.69Å
11G42.9Very low44.2Very low69 Ų69142.1 Ų142.171%0.71181%0.807SS**  trans-62.3129165.100000110.2D13G11-D13 PolarHBondContact O-N 3.27Å; G11-D13 VanDerWaalsContact O-N 3.1Å
12D44.7Very low43.7Very low151 Ų151133.7 Ų133.781%0.80778%0.783SS**  trans-71.790.5-179-155.79.1000109.9L10 T14L10-D12 PolarHBondContact O-N 2.69Å; D12-T14 PolarHBondContact O-N 3.39Å
13D48.3Very low43.4Very low165 Ų165138 Ų13888%0.88279%0.785SS**  trans-81.994.8175.8-90.5-28000110.9G11G11-D13 PolarHBondContact O-N 3.27Å; G11-D13 VanDerWaalsContact O-N 3.1Å
14T43.2Very low43.1Very low114 Ų114136.6 Ų136.670%0.69978%0.783SS**  trans-83.3138.3159.7250000110D12 S16D12-T14 PolarHBondContact O-N 3.39Å; T14-S16 PolarHBondContact O-N 3.39Å; T14-S16 VanDerWaalsContact O-N 3.1Å
15P41.4Very low42.4Very low134 Ų134135.4 Ų135.487%0.8778%0.784SS**  trans-78.1105.2-169.430-32.7000111.1
16S40.5Very low42Very low119 Ų119137.4 Ų137.483%0.83280%0.795SS**PPolyproline II helixtrans-91.5128170.1-162.70000110.8T14 A18T14-S16 PolarHBondContact O-N 3.39Å; T14-S16 VanDerWaalsContact O-N 3.1Å; S16-A18 PolarHBondContact O-N 3.08Å
17Q38.8Very low41.4Very low193 Ų193136.2 Ų136.290%0.90280%0.795SS**PPolyproline II helixtrans-54.2122.9-178.1-72.9-176.5-35.300112.9
18A38.7Very low40.6Very low104 Ų104135.8 Ų135.886%0.8680%0.797SS**PPolyproline II helixtrans-89.4126.8167.600000111.7S16S16-A18 PolarHBondContact O-N 3.08Å
19K36.1Very low39.7Very low189 Ų189134.9 Ų134.982%0.82280%0.799SS**PPolyproline II helixtrans-75.6133.6-178.1-170.3176.2-177.4-179.50110.9I21K19-I21 PolarHBondContact O-N 2.68Å
20K39.2Very low39.1Very low210 Ų210136.9 Ų136.991%0.91382%0.815SS**PPolyproline II helixtrans-60.9118175.4-162.5174.9-171.4176.20110.9
21I37.5Very low38.6Very low156 Ų156133.9 Ų133.980%0.881%0.808SS**  trans-135.4132.5167.6-42.6179000108.4K19K19-I21 PolarHBondContact O-N 2.68Å
22G32.7Very low38.3Very low67 Ų67138.7 Ų138.769%0.69182%0.817SS**  trans-77.8163.1-158.200000117.2
23H36.8Very low37.9Very low193 Ų193139.3 Ų139.389%0.89482%0.815SS**  trans-62.5126.7173.1-63.4-88.7000112.5
24T38.9Very low37.5Very low138 Ų138137.3 Ų137.385%0.84781%0.811SS**  trans-144.3117.9148.250.40000109.8
25N34Very low37.2Very low150 Ų150136.7 Ų136.780%0.80282%0.818SS**PPolyproline II helixtrans-82.3131.5174.3-166.919.2000109.5
26P37.8Very low37.1Very low116 Ų116134.7 Ų134.775%0.75381%0.812SS**PPolyproline II helixtrans-97.9117.5163.311.37.4000110.6A28P26-A28 PolarHBondContact O-N 3.29Å
27T34.6Very low37Very low132 Ų132134.9 Ų134.981%0.8181%0.811SS**PPolyproline II helixtrans-57.6124.4168-37.70000110.6
28A36Very low37.1Very low88 Ų88132.4 Ų132.473%0.72780%0.803SS**PPolyproline II helixtrans-79.9133170.400000110.5P26P26-A28 PolarHBondContact O-N 3.29Å
29P34.8Very low37Very low120 Ų120132.6 Ų132.678%0.77980%0.796SS**PPolyproline II helixtrans-78.3139.4172.829.7-29.9000111
30A36.8Very low36.8Very low108 Ų108127 Ų12789%0.89379%0.792SS**PPolyproline II helixtrans-68.2126.7168.900000110.4
31S36Very low36.7Very low96 Ų96128 Ų12867%0.67179%0.79SS**  trans-132.9105.8162.753.60000110.2H33S31-H33 PolarHBondContact O-N 2.99Å
32N36.5Very low36.7Very low169 Ų169126.1 Ų126.190%0.90479%0.788SS**  trans-67.3114.3161.3-87.2-20.9000108.6
33H38.2Very low37Very low165 Ų165126 Ų12676%0.76479%0.787SS**  trans-127132.6158.5-76.2-74.1000109.5S31S31-H33 PolarHBondContact O-N 2.99Å
34P39.3Very low37.1Very low122 Ų122122.7 Ų122.779%0.79279%0.786SS**PPolyproline II helixtrans-70145.7177.228.3-31.8000110.9A36P34-A36 PolarHBondContact O-N 3.26Å
35A36.3Very low36.8Very low102 Ų102121 Ų12184%0.84379%0.785SS**PPolyproline II helixtrans-59.2131.917800000111.7
36A38.4Very low36.7Very low91 Ų91120.3 Ų120.375%0.75279%0.789SS**PPolyproline II helixtrans-74.9141.1169.100000110.3P34 N38P34-A36 PolarHBondContact O-N 3.26Å; A36-N38 PolarHBondContact O-N 3.49Å
37P38.7Very low37Very low124 Ų124118.4 Ų118.481%0.80579%0.791SS**PPolyproline II helixtrans-75122.9175.629-30.3000110.1
38N42Very low37.1Very low140 Ų140116.4 Ų116.475%0.74979%0.788SS**PPolyproline II helixtrans-74.4130.5178.3-161.216.4000110.6A36A36-N38 PolarHBondContact O-N 3.49Å
39P36.2Very low37.2Very low109 Ų109118.4 Ų118.471%0.70879%0.793SS**PPolyproline II helixtrans-78.9125-178.9-6.624.3000112.1
40G31.8Very low37.5Very low71 Ų71119.3 Ų119.373%0.73280%0.797SS**  trans50.3100.8145.800000119.4
41W36.3Very low37.5Very low230 Ų230122.6 Ų122.687%0.87179%0.794SS**PPolyproline II helixtrans-96131.9152.4-77.892.8000109.7
42P39.2Very low37.7Very low118 Ų118124 Ų12477%0.76680%0.8SS**PPolyproline II helixtrans-70.3133.8177.727.6-31.1000110.6
43G37.7Very low37.8Very low65 Ų65121.5 Ų121.567%0.6780%0.796SS**PPolyproline II helixtrans-65.8152.1176.200000112.9
44S39.8Very low37.7Very low123 Ų123118 Ų11886%0.8680%0.796SS**  trans65.699.1155.2-43.50000116.4
45A32.6Very low37.4Very low101 Ų101118.7 Ų118.784%0.83580%0.8SS**  trans-75.3131.8156.700000109.6
46P32.4Very low37.3Very low136 Ų136118.5 Ų118.588%0.88380%0.799SS**SBendtrans-78.8133.9179.3-0.917.3000111.2
47G43.3Very low37Very low77 Ų77121.8 Ų121.879%0.79480%0.804SS**  trans141.917.1164.800000119
48A36.8Very low36.5Very low90 Ų90125.9 Ų125.974%0.74481%0.809SS**PPolyproline II helixtrans-76.8133172.100000111.2T50A48-T50 PolarHBondContact O-N 2.84Å
49P37.3Very low36.2Very low130 Ų130124.1 Ų124.184%0.84481%0.808SS**PPolyproline II helixtrans-68.9124.9175.524.7-29.4000110.9
50T42.7Very low35.9Very low139 Ų139122.9 Ų122.985%0.85382%0.815SS**PPolyproline II helixtrans-74.4126.9177.945.50000111.7A48A48-T50 PolarHBondContact O-N 2.84Å
51Q36.1Very low35.8Very low177 Ų177123 Ų12383%0.82782%0.816SS**PPolyproline II helixtrans-71.9135.9171.9-163.3-177.7-12.700110.4S53Q51-S53 PolarHBondContact O-N 3.41Å
52P39Very low35.8Very low124 Ų124120.2 Ų120.281%0.80582%0.818SS**PPolyproline II helixtrans-71.5124.5178.9-14.428.2000111.4
53S38.7Very low35.5Very low117 Ų117120.3 Ų120.382%0.81882%0.821SS**PPolyproline II helixtrans-87.6139.6166.4-61.20000109.8Q51Q51-S53 PolarHBondContact O-N 3.41Å
54A36Very low35.2Very low93 Ų93120.6 Ų120.677%0.76982%0.824SS**PPolyproline II helixtrans-63.3146.5-179.800000112.3
55P34.7Very low35.3Very low135 Ų135121.3 Ų121.388%0.87783%0.825SS**PPolyproline II helixtrans-79124173.6-0.217.2000110.2
56A32.8Very low35.1Very low99 Ų99119.9 Ų119.982%0.81882%0.821SS**  trans-122.884.1167.200000108.9
57D33.3Very low35.3Very low159 Ų159118.2 Ų118.285%0.8582%0.819SS**  trans-129.297.8162.3-90.1-32.3000107.8
58F28.4Very low34.9Very low210 Ų210120.7 Ų120.792%0.92182%0.82SS**  trans-158.1131.4141.3-137.7-99.3000111.1
59S34.5Very low34.8Very low104 Ų104119.5 Ų119.573%0.72782%0.817SS**  trans-95.915317644.70000109.9
60G30.1Very low34.9Very low82 Ų82119.4 Ų119.485%0.84582%0.817SS**  trans111.1122.716100000114.9
61G30.7Very low34.4Very low74 Ų74122 Ų12276%0.76382%0.816SS**  trans-90.5-174.5176.900000115.1
62L34.8Very low34.1Very low172 Ų172122.8 Ų122.890%0.90182%0.82SS**  trans84.4137.5166-56.4177.3000118.8
63S33.6Very low34Very low120 Ų120127.1 Ų127.184%0.83982%0.822SS**  trans88.3111.6163.466.70000119.2
64G32Very low34Very low70 Ų70127.6 Ų127.672%0.72282%0.822SS**  trans-74.7-175.4147.200000110.4
65P40.6Very low34Very low138 Ų138128.7 Ų128.790%0.89682%0.824SS**  cis-136.71772439.3-20.5000114.7
66G29.8Very low34.1Very low72 Ų72125.7 Ų125.774%0.74282%0.817SS**  trans128.4104.315400000115.5
67A35.3Very low34.7Very low101 Ų101127.7 Ų127.784%0.83582%0.822SS**  trans-73.7151165.900000111.6
68P36.2Very low34.7Very low128 Ų128123.8 Ų123.883%0.83182%0.82SS**  trans-121.4140.9136.36.914000111.7
69G34.2Very low35.1Very low65 Ų65118.8 Ų118.867%0.6782%0.817SS**  trans-69.6177-167.900000117.1
70P38.8Very low35.4Very low129 Ų129120.2 Ų120.284%0.83882%0.824SS**PPolyproline II helixtrans-86146.4-172.532.4-31.6000113.3
71F32.9Very low35.6Very low193 Ų193119.6 Ų119.685%0.84682%0.817SS**PPolyproline II helixtrans-62.1143.1179-69.8-93.8000113.4
72Q30.1Very low35.9Very low193 Ų193125.3 Ų125.390%0.90282%0.824SS**PPolyproline II helixtrans-85.3136.3171.7-65.2-174.8-52.100110.9
73Y37.1Very low36.1Very low215 Ų215127.9 Ų127.984%0.84382%0.824SS**PPolyproline II helixtrans-101.1141.1160.7-72.7-85.5000109.5
74P37.2Very low36.4Very low127 Ų127128.4 Ų128.483%0.82582%0.824SS**PPolyproline II helixtrans-85133.4174.231.5-28.9000111
75S37.3Very low36.6Very low117 Ų117128.3 Ų128.382%0.81882%0.823SS**  trans-111.1130.5171.8-41.50000109.7
76G37.2Very low36.7Very low71 Ų71127.6 Ų127.673%0.73282%0.818SS**  trans-69.8167.2171.400000113
77P43.7Very low37.2Very low141 Ų141130.5 Ų130.592%0.91682%0.824SS**  trans-92.7139.6-162.233.9-31.3000113.4
78G33.6Very low37.3Very low78 Ų78131.4 Ų131.480%0.80482%0.824SS**  trans160.797.4158.800000117.6
79A36.6Very low37.5Very low104 Ų104130 Ų13086%0.8682%0.824SS**  trans90144.3149.900000120.8
80P41.2Very low37.8Very low134 Ų134133 Ų13387%0.8783%0.831SS**  trans-109.3147-158.437.7-24.5000114.1
81G35.3Very low37.5Very low69 Ų69131 Ų13171%0.71183%0.834SS**  trans-168.6111.9168.100000111.2
82Q36.3Very low37.5Very low194 Ų194125.5 Ų125.591%0.90783%0.832SS**  trans-80.6138.1-174.6-60.4-165.71.600112.2
83Y39Very low37.8Very low227 Ų227126 Ų12689%0.8983%0.831SS**  trans-122.5133.7160.8-74.3-85.4000109
84P39.9Very low38.1Very low131 Ų131122.1 Ų122.185%0.85183%0.833SS**PPolyproline II helixtrans-77.7136.3178.1-10.226.6000112.4
85G37.2Very low37.9Very low67 Ų67121 Ų12169%0.69183%0.834SS**PPolyproline II helixtrans-79.1172.5171.300000114.2
86P42.5Very low38Very low124 Ų124119 Ų11981%0.80583%0.832SS**PPolyproline II helixtrans-88.3155.7-164.635.8-34.7000113.2
87P40.3Very low38.4Very low132 Ų132122.3 Ų122.386%0.85784%0.84SS**PPolyproline II helixtrans-95.6139.2165.229.4-21000113
88S37.2Very low37.8Very low121 Ų121119.5 Ų119.585%0.84684%0.837SS**PPolyproline II helixtrans-76.8155.2179.2-45.50000113.6
89A39.3Very low37.9Very low99 Ų99122.4 Ų122.482%0.81884%0.838SS**PPolyproline II helixtrans-79.4162.4175.700000114.2
90P40.7Very low38.2Very low126 Ų126123.3 Ų123.382%0.81884%0.836SS**  trans-142.7134141.532.9-15.5000116.3
91G33.6Very low37.8Very low88 Ų88120.4 Ų120.491%0.90783%0.83SS**  trans50.5152.1146.100000121.2
92G31.6Very low37.7Very low77 Ų77126.4 Ų126.479%0.79484%0.84SS**  cis176.21617.900000109
93F37.5Very low37.6Very low204 Ų204127.9 Ų127.990%0.89584%0.838SS**  trans-75171.7-173.6-66.6-93.3000115.2
94P43.7Very low37.6Very low134 Ų134123.2 Ų123.287%0.8784%0.836SS**  -142.9177102.136.4-19.6000116.1
95A33.2Very low37.4Very low103 Ų103121.5 Ų121.585%0.85183%0.833SS**  trans-123.8158.9-159.600000116.6
96G38.4Very low37.6Very low75 Ų75124.8 Ų124.877%0.77384%0.842SS**  trans91156.8149.200000118.4
97P45.4Very low37.1Very low141 Ų141122.7 Ų122.792%0.91684%0.843SS**  cis-141.2164.92539.5-19.9000118.7
98G32.1Very low36.9Very low81 Ų81121.1 Ų121.184%0.83584%0.841SS**  trans142.3110.3152.900000117.9
99V35.3Very low37.1Very low139 Ų139121.6 Ų121.684%0.84284%0.841SS**  trans-132166.8-177.31620000107.1
100P42.4Very low36.6Very low124 Ų124120.3 Ų120.381%0.80584%0.838SS**  cis-138.717111.3198.4000118.3
101G32.6Very low36.3Very low73 Ų73123.4 Ų123.475%0.75384%0.841SS**  trans-173.5119.8156.400000113.3
102Q33.1Very low36.3Very low194 Ų194129.1 Ų129.191%0.90784%0.842SS**  trans-72.6152-161.5-64.3168.80.900117.3
103Y35.7Very low36.6Very low225 Ų225131.7 Ų131.788%0.88284%0.844SS**  trans-93.8155157.5-65.4-90.3000110.5
104P37.1Very low36.5Very low129 Ų129127.5 Ų127.584%0.83884%0.84SS**  trans-121.7143.2147.514.26.3000113.5
105A37.3Very low36.3Very low95 Ų95126.8 Ų126.879%0.78584%0.839SS**  trans-82.9168.6175.100000112.7
106P40.3Very low36.7Very low136 Ų136128.1 Ų128.188%0.88384%0.838SS**  trans-83.1139.4-165.9-2.420.3000114.2
107G32.8Very low36.4Very low80 Ų80128.2 Ų128.283%0.82584%0.839SS**  trans-120139.1168.400000111.8
108A35.3Very low35.9Very low99 Ų99126.4 Ų126.482%0.81884%0.836SS**  trans-91.6-176.9172.900000111.5
109P41.1Very low36.2Very low131 Ų131128.6 Ų128.685%0.85184%0.836SS**  -111.1145.6-74.134.5-22.1000110.9
110G30.5Very low36Very low72 Ų72125.3 Ų125.374%0.74283%0.83SS**  trans-164107.6-179.700000114.6
111Q33.5Very low35.6Very low192 Ų192128.3 Ų128.390%0.89783%0.833SS**  trans60.3117.1144.7-57.4-165.4-2.900120.3
112F34.3Very low35.6Very low208 Ų208134.1 Ų134.191%0.91284%0.838SS**PPolyproline II helixtrans-58.5138.9166.4-65.6-89.7000112.7
113P37.7Very low36.2Very low130 Ų130131 Ų13184%0.84483%0.834SS**PPolyproline II helixtrans-89.3137.2156.4-8.626.8000111.6
114S34.8Very low36Very low116 Ų116123 Ų12381%0.81182%0.821SS**PPolyproline II helixtrans-70.6146.1-175.7-440000114.2
115S38.9Very low35.9Very low120 Ų120126.4 Ų126.484%0.83983%0.825SS**PPolyproline II helixtrans-59147.2166.5-57.10000112.8
116P42.8Very low35.8Very low130 Ų130133 Ų13384%0.84483%0.831SS**PPolyproline II helixtrans-102.1120.4162.58.212000112.3
117G30.7Very low36.1Very low77 Ų77132.2 Ų132.279%0.79483%0.827SS**  trans80.996.513000000119.3
118A35.7Very low36.2Very low103 Ų103132.9 Ų132.985%0.85182%0.818SS**  trans-97144145.900000109.4
119P38.7Very low36.1Very low128 Ų128136.9 Ų136.983%0.83182%0.82SS**  trans-114.3118.6162.130-17.3000112.9
120G30.9Very low35.6Very low69 Ų69134.3 Ų134.371%0.71182%0.818SS**  trans79127.9131.600000119.8
121Q33.6Very low35.9Very low187 Ų187137.6 Ų137.687%0.87482%0.824SS**  158114.3110-75.7-74.8-5.500110
122F32.7Very low36.3Very low196 Ų196134.3 Ų134.386%0.8682%0.819SS**  trans-106.3155.7156.6-86.9-81.3000107.7
123P45Very low36.1Very low127 Ų127127.8 Ų127.883%0.82581%0.81SS**  -140152.298.833.3-17.3000110.8
124G33.1Very low35.9Very low58 Ų58130.5 Ų130.560%0.59881%0.812SS**  cis116114.532.300000107.5
125Q33.9Very low36.1Very low200 Ų200133.1 Ų133.194%0.93582%0.816SS**  trans180114.6150.5-101.1170.259.800112.3
126Y35.2Very low36.2Very low233 Ų233133.1 Ų133.191%0.91481%0.813SS**  trans-116.6158.6151.8-85.3-82.2000106.2
127P47.4Very low35.6Very low121 Ų121130.6 Ų130.679%0.78681%0.81SS**  -153-176.986.741.4-21.3000112.4
128S35.3Very low35.6Very low93 Ų93130.6 Ų130.665%0.6581%0.811SS**  cis-160.7150.4-11.4-132.60000108.1
129E33.2Very low36.1Very low183 Ų183131.7 Ų131.786%0.85581%0.809SS**  trans37.7134.7138.9-71.6175.1119.100124.4
130G31Very low36Very low78 Ų78130.2 Ų130.280%0.80481%0.808SS**  trans-172.7110.1149.900000112.2
131T36.8Very low36.6Very low140 Ų140132.7 Ų132.786%0.85981%0.811SS**  trans-79.1175.5-168.50.50000115.6
132P40.9Very low36.7Very low123 Ų123134.6 Ų134.680%0.79981%0.812SS**  trans-103.6165.1-152.940.9-39.5000117.2
133G30.4Very low37.1Very low71 Ų71131.2 Ų131.273%0.73281%0.809SS**  trans125.9125.7148.900000116.1
134Q33.1Very low36.4Very low188 Ų188131 Ų13188%0.87981%0.811SS**  167.3118.4123-92-170.844.500112.1
135L39Very low36.5Very low170 Ų170131.3 Ų131.389%0.8981%0.814SS**  trans-87.7146.1146.1-72.9166.8000107.4
136P40.5Very low36.8Very low121 Ų121128 Ų12879%0.78681%0.81SS**  -145.3159.2105.834-17.1000110.9
137G31.1Very low36.9Very low76 Ų76126.3 Ų126.378%0.78481%0.808SS**  cis171.2156.318.900000107.5
138G30.2Very low36.6Very low78 Ų78126.5 Ų126.580%0.80481%0.809SS**  trans-83.8-166.6165.100000111.6
139P45.6Very low36.8Very low125 Ų125127.8 Ų127.881%0.81282%0.818SS**  cis-138160.26.138.7-19.6000117.7
140A37.1Very low37.1Very low98 Ų98122.4 Ų122.481%0.8181%0.812SS**  trans62.4165.9149.800000120.6
141P44.4Very low37.4Very low120 Ų120125.4 Ų125.478%0.77982%0.817SS**  cis-128.6172.4-4.636.8-17.7000115.3
142Y35.4Very low37.3Very low228 Ų228122.5 Ų122.589%0.89482%0.815SS**  trans-67.3154.4174.6-60.9-91.9000113.9
143P40Very low37.1Very low124 Ų124121.3 Ų121.381%0.80582%0.815SS**  trans-132.3151.1132.631.4-16.3000114.5
144S31.8Very low37.6Very low124 Ų124124.3 Ų124.387%0.86782%0.822SS**  trans-62.4140177.548.80000115.6
145G33.9Very low37.7Very low63 Ų63120.2 Ų120.265%0.64982%0.82SS**  trans174.5145.3163.300000113.2
146P41.4Very low37.4Very low131 Ų131115.7 Ų115.785%0.85182%0.815SS**PPolyproline II helixtrans-84.4144.4-15232.9-34.7000114.7
147F36.8Very low37.8Very low197 Ų197115.5 Ų115.586%0.86481%0.814SS**PPolyproline II helixtrans-72.3141.4172.9-65.2-85.2000111.9
148P41.8Very low37.9Very low126 Ų126122.9 Ų122.982%0.81882%0.819SS**PPolyproline II helixtrans-83.6127169.531.2-29.8000111.4
149S39.5Very low38.9Very low120 Ų120125.2 Ų125.284%0.83982%0.82SS**PPolyproline II helixtrans-76.8133.7172.7-37.40000111.2
150G39.3Very low38.3Very low70 Ų70125.8 Ų125.872%0.72282%0.817SS**PPolyproline II helixtrans-77.2159.2167.500000112.7
151P36Very low38.2Very low140 Ų140126.8 Ų126.891%0.90981%0.812SS**PPolyproline II helixtrans-91.3142-164.71.718.2000113.1
152G34.7Very low38.1Very low80 Ų80126.8 Ų126.883%0.82581%0.812SS**  trans171.5-12.5161.800000124.3
153A36.9Very low38Very low97 Ų97125.4 Ų125.480%0.80281%0.811SS**  trans-151.8127.3-179.900000114
154P41.5Very low38.3Very low134 Ų134125.4 Ų125.487%0.8781%0.811SS**PPolyproline II helixtrans-92133.2169.230.4-26000112.7
155A34.9Very low38.1Very low102 Ų102123.3 Ų123.384%0.84381%0.809SS**PPolyproline II helixtrans-84.8144.6173.100000111.5
156G32.5Very low38Very low75 Ų75124.2 Ų124.277%0.77382%0.819SS**PPolyproline II helixtrans-76.8169.8179.800000114.4
157P49.3Very low37.6Very low118 Ų118127.2 Ų127.277%0.76682%0.821SS**  trans-114.5132.4176.535.6-22.7000113.3
158Y33.9Very low38.4Very low230 Ų230123.5 Ų123.590%0.90282%0.817SS**  trans-129.2145.9146-75.3-74000107.8
159P49.7Very low37.8Very low127 Ų127122.2 Ų122.283%0.82582%0.817SS**  -148.1138.3106.331.6-12000117
160N33Very low37.5Very low138 Ų138120.7 Ų120.774%0.73882%0.82SS**  trans53.1110.5134.3-127.940.4000125.2
161V35.8Very low37.1Very low118 Ų118120.5 Ų120.572%0.71582%0.818SS**  trans54.1160.7133.3-55.50000122.4
162P42Very low37.2Very low120 Ų120122.3 Ų122.378%0.77982%0.82SS**  cis-137.2171.69.438.3-16.8000118
163F33.2Very low37.1Very low200 Ų200121.6 Ų121.688%0.87781%0.813SS**  trans-63.2163.7164.6-86-89.8000112
164P46.6Very low36.8Very low124 Ų124126.1 Ų126.181%0.80582%0.819SS**  cis-153.4172.141.740.1-17.3000119.3
165G28.3Very low36.7Very low79 Ų79130.4 Ų130.481%0.81482%0.82SS**  trans101.5132.1136.700000121
166G30.1Very low36.5Very low83 Ų83128.8 Ų128.886%0.85681%0.814SS**  trans106.4103.2137.600000119.6
167Q34.4Very low37Very low193 Ų193131.7 Ų131.790%0.90282%0.818SS**  trans-54.3176.1152.1-80.4170.3-7100112.3
168P52.1Low36.1Very low120 Ų120130.2 Ų130.278%0.77983%0.825SS**  cis-134.1-170.816.531.1-4.6000112
169A30.8Very low36Very low99 Ų99123 Ų12382%0.81882%0.821SS**  cis-176161.643.600000111.9
170G33.3Very low35.2Very low87 Ų87126.9 Ų126.990%0.89783%0.828SS**  trans103.6118.9156.300000113.8
171G30.3Very low35.1Very low66 Ų66124.3 Ų124.368%0.6883%0.834SS**  cis152.2138.19.700000107.9
172N37.2Very low35Very low178 Ų178122.2 Ų122.295%0.95284%0.837SS**  trans71.8122.9169.8-58.74.9000116
173G32.7Very low34.7Very low65 Ų65126.5 Ų126.567%0.6784%0.843SS**  cis129.39427.800000106.1
174M31.6Very low35.7Very low192 Ų192122.7 Ų122.795%0.94684%0.838SS**  61.4107.994.8-119.4176.9177.500115.7
175Y38.9Very low35.8Very low224 Ų224122.4 Ų122.488%0.87884%0.837SS**  trans-162.9123.7133.451.3-92.1000110.7
176G30.5Very low36.6Very low69 Ų69124.7 Ų124.771%0.71184%0.837SS**  trans-88.7-149.4165.300000110.7
177P44Very low36.9Very low135 Ų135125.8 Ų125.888%0.87784%0.838SS**  cis-138.1173.3-5.539.4-20.6000115.3
178G30.4Very low36.9Very low87 Ų87119.8 Ų119.890%0.89783%0.828SS**  trans107.3129.8146.800000119.3
179G31.3Very low36.3Very low80 Ų80120.8 Ų120.883%0.82583%0.834SS**  trans150.5102.8160.800000115.3
180Q33Very low36.9Very low207 Ų207119.7 Ų119.797%0.96783%0.833SS**  trans-83.1153.9168.9-73.9-175.4-19.900112
181G30.3Very low36.9Very low84 Ų84121 Ų12187%0.86683%0.828SS**  trans122.5136.4160.900000112.5
182G33.3Very low37.4Very low75 Ų75127.8 Ų127.877%0.77384%0.839SS**  cis-177.8143.3-0.500000106.4
183F37Very low37.3Very low210 Ų210124.4 Ų124.492%0.92183%0.827SS**PPolyproline II helixtrans-69143.5176.9-72.6-97.6000111
184P53.8Low37.2Very low119 Ų119126.1 Ų126.177%0.77384%0.835SS**PPolyproline II helixtrans-78.6143.7167.930.1-30.4000111.6
185P49Very low37.4Very low118 Ų118126.1 Ų126.177%0.76683%0.83SS**PPolyproline II helixtrans-79.7168.3178.733.5-34.7000112.9
186P44.7Very low37.3Very low128 Ų128121.3 Ų121.383%0.83183%0.827SS**PPolyproline II helixtrans-80.9140.3-169.832.9-33000112.1
187A37.4Very low37.4Very low105 Ų105122.2 Ų122.287%0.86884%0.835SS**PPolyproline II helixtrans-90.3122.8169.500000110.3
188G34.4Very low36.8Very low67 Ų67119 Ų11969%0.69183%0.827SS**  trans-75.8178.5168.500000113
189P37.7Very low36.9Very low141 Ų141118.9 Ų118.992%0.91683%0.826SS**SBendtrans-87.2137.3-147.933-33.6000113.8
190G45.1Very low37.2Very low76 Ų76124.5 Ų124.578%0.78483%0.828SS**  trans113.572.5159.900000116.1
191S32.4Very low37.6Very low114 Ų114119.8 Ų119.880%0.79782%0.815SS**  trans-176.7108.5152.751.60000110.3
192F39.9Very low38.2Very low209 Ų209121.9 Ų121.992%0.91781%0.814SS**PPolyproline II helixtrans-93.7137165.3-71.5-80.8000109.6
193P35.5Very low38.8Very low107 Ų107125.3 Ų125.370%0.69581%0.813SS**PPolyproline II helixtrans-79146.8175.430.7-31.1000111.9
194A31.4Very low38.8Very low102 Ų102120.1 Ų120.184%0.84380%0.8SS**PPolyproline II helixtrans-73140.4176.200000112.1
195F36.5Very low37.9Very low191 Ų191121.1 Ų121.184%0.83881%0.807SS**PPolyproline II helixtrans-103.6141.8166.4-76.6-81.7000111.2
196P35.9Very low37.6Very low124 Ų124118.8 Ų118.881%0.80580%0.804SS**PPolyproline II helixtrans-83.1155.2-17934.7-32.6000112.1
197G33.3Very low37.1Very low87 Ų87117.8 Ų117.890%0.89780%0.8SS**PPolyproline II helixtrans-69.2157.9-16600000117.9
198G30.9Very low37.2Very low67 Ų67124.7 Ų124.769%0.69180%0.804SS**  trans-165.8128.8166.800000108.3
199G33Very low37.2Very low85 Ų85125.5 Ų125.588%0.87681%0.811SS**PPolyproline II helixtrans-70.3151-165.500000115.9
200F36.9Very low37.1Very low199 Ų199124.4 Ų124.487%0.87381%0.807SS**PPolyproline II helixtrans-92.6147.6170.4-70.9-91.1000110.8
201P41.5Very low37.2Very low108 Ų108126.7 Ų126.770%0.70181%0.809SS**PPolyproline II helixtrans-68.3158.5172.229.5-33.6000111.8
202P41.8Very low37.2Very low128 Ų128125.1 Ų125.183%0.83181%0.81SS**PPolyproline II helixtrans-68.9136.8-17227.6-34000112.5
203I46.3Very low36.8Very low147 Ų147119.3 Ų119.375%0.75481%0.809SS**PPolyproline II helixtrans-78.9133.8176.5-50.6172.5000108.7
204P37.2Very low36.6Very low101 Ų101117.9 Ų117.966%0.65681%0.814SS**PPolyproline II helixtrans-69.6148.3173.228.1-32.2000111.2G206P204-G206 PolarHBondContact O-N 3.09Å
205P34.3Very low36.6Very low140 Ų140123 Ų12391%0.90982%0.817SS**SBendtrans-74.5122.8-176.328.9-31000110.7
206G43.7Very low36.8Very low69 Ų69119.2 Ų119.271%0.71181%0.812SS**  trans158.8-3.6171.900000118.4P204P204-G206 PolarHBondContact O-N 3.09Å
207S33.6Very low36.7Very low106 Ų106119.3 Ų119.374%0.74181%0.811SS**  trans-93.2125.6-175.3-58.40000113.5G209S207-G209 PolarHBondContact O-N 2.75Å
208W39.5Very low37.7Very low251 Ų251120.8 Ų120.895%0.95181%0.805SS**  trans-42.6124.6172.1-60.381.6000112.3
209G33.9Very low38.5Very low83 Ų83123.5 Ų123.586%0.85681%0.81SS**  trans-60.8145.8-172.300000114S207S207-G209 PolarHBondContact O-N 2.75Å
210S37.3Very low38.4Very low119 Ų119123.7 Ų123.783%0.83280%0.804SS**  trans-108.8151165.6-139.70000109.8
211P46.3Very low38.7Very low124 Ų124123.3 Ų123.381%0.80580%0.804SS**PPolyproline II helixtrans-88.1132.5-160.333.6-31000112.6
212G32.5Very low38.4Very low81 Ų81127.8 Ų127.884%0.83581%0.813SS**PPolyproline II helixtrans-88.1125.4163.200000110
213G32.4Very low38Very low86 Ų86124.6 Ų124.689%0.88780%0.803SS**PPolyproline II helixtrans-73.7167.1-169.600000116.9
214G29.8Very low37.9Very low78 Ų78124.2 Ų124.280%0.80481%0.811SS**  trans166.3110.8166.200000111.4
215F32.7Very low37.6Very low208 Ų208122.2 Ų122.291%0.91281%0.809SS**  trans-85.2144.1160.2-82.6-84000108.5
216P40.6Very low38Very low113 Ų113122 Ų12273%0.73481%0.807SS**  -147.4151.185.632.7-11.9000118.3
217T33.4Very low38.2Very low125 Ų125126.5 Ų126.577%0.76781%0.812SS**  trans59.9135.9150.855.40000123.6
218P54.9Low38.6Very low119 Ų119124 Ų12477%0.77380%0.802SS**  trans-87.7171.8170.140.1-33.8000110.9
219P46.3Very low38.5Very low123 Ų123117.7 Ų117.780%0.79979%0.794SS**  cis-142152.829.638.8-18.6000116.9
220A30.5Very low39.4Very low90 Ų90122.1 Ų122.174%0.74479%0.786SS**  trans-160.5121.3150.500000112.3
221Q43.8Very low39.9Very low191 Ų191119 Ų11989%0.89377%0.772SS**  trans-55.6122.1169-174.5176.6-0.400112.3
222F36Very low40.3Very low201 Ų201114.2 Ų114.288%0.88275%0.746SS**  trans-137.3110.4159.2-88.2-95.3000104.9
223G32.3Very low41.3Very low61 Ų61115.8 Ų115.863%0.62974%0.741SS**  90.2116.562.500000107.4G225G223-G225 PolarHBondContact O-N 3.5Å; G223-G225 VanDerWaalsContact O-N 3.17Å
224P44.2Very low42.4Very low140 Ų140115.2 Ų115.291%0.90973%0.728SS**  trans-74.1112.2-16830.5-31.5000109.9
225G32.4Very low43.6Very low59 Ų59111.8 Ų111.861%0.60869%0.693SS**PPolyproline II helixtrans-85.9151.5167.300000110.9G223 M227G223-G225 PolarHBondContact O-N 3.5Å; G223-G225 VanDerWaalsContact O-N 3.17Å; G225-M227 PolarHBondContact O-N 3.44Å
226P41.4Very low44.3Very low135 Ų135108 Ų10888%0.87769%0.689SS**PPolyproline II helixtrans-71.8119.4-166.529.3-32.5000110.8
227M48.3Very low45.3Very low164 Ų164106.5 Ų106.581%0.80870%0.695SS**PPolyproline II helixtrans-62.2136.4168.6-79.3-157.3-17600110.1G225G225-M227 PolarHBondContact O-N 3.44Å
228G41.7Very low47.6Very low52 Ų52103 Ų10354%0.53668%0.683SS.*PPolyproline II helixtrans-60165.7165.200000111.8Y230G228-Y230 PolarHBondContact O-N 3.32Å
229P38Very low49.4Very low120 Ų12098.8 Ų98.878%0.77966%0.655SS**THydrogen-bonded Turntrans-73.315.5-161.329.9-35000115.7
230Y53.1Low51.7Low175 Ų17594 Ų9469%0.68662%0.623SS**THydrogen-bonded Turntrans-118.212.2-169.9-57.6-69.4000114.7G228 G232G228-Y230 PolarHBondContact O-N 3.32Å; Y230-G232 PolarHBondContact O-N 2.86Å
231G46.8Very low54.8Low54 Ų5495 Ų9556%0.55762%0.615SS**  trans-82.5110.5177.100000112.2
232G54.8Low57.4Low24 Ų2488.1 Ų88.125%0.24759%0.585CS.*PPolyproline II helixtrans-60.9166.9163.400000111.9Y230 A234Y230-G232 PolarHBondContact O-N 2.86Å; G232-A234 PolarHBondContact O-N 2.76Å; G232-A234 VanDerWaalsContact O-N 3.13Å
233P54.1Low60.3Low113 Ų11382.9 Ų82.973%0.73457%0.572SS**PPolyproline II helixtrans-58.7121.1-177.921.7-30.1000110.8G235P233-G235 PolarHBondContact O-N 2.89Å
234A54.7Low63.5Low74 Ų7481 Ų8161%0.61255%0.546SS*.BIsolated β-bridgetrans-67.3125.1176.300000110G232G232-A234 PolarHBondContact O-N 2.76Å; G232-A234 VanDerWaalsContact O-N 3.13Å
235G54.9Low66Low7 Ų777.5 Ų77.57%0.07252%0.519CS..PPolyproline II helixtrans-67.9167.6164.500000111.9P233 G237 G238 T239P233-G235 PolarHBondContact O-N 2.89Å; G235-G237 PolarHBondContact O-N 2.83Å; G235-G237 VanDerWaalsContact O-N 3.1Å; G235-G238 PolarHBondContact O-N 3.39Å; G235-T239 VanDerWaalsContact CA-O 3.28Å; G235-T239 WeakPolarHBondContact CA-O 3.28Å; G235-T239 PolarHBondContact N-O 2.73Å
236P47.5Very low69.2Low127 Ų12775 Ų7583%0.82549%0.492SS*.THydrogen-bonded Turntrans-57.3118.4-178.8-20.431.2000111T239P236-T239 PolarHBondContact O-OG1 3.09Å
237G62.9Low71.9Confident83 Ų8371.9 Ų71.986%0.85647%0.471SS*.THydrogen-bonded Turntrans94.213.4176.400000116.4G235G235-G237 PolarHBondContact O-N 2.83Å; G235-G237 VanDerWaalsContact O-N 3.1Å
238G81.6Confident74.2Confident50 Ų5064.5 Ų64.552%0.51544%0.435SS..SBendtrans83.822.4176.900000114G235G235-G238 PolarHBondContact O-N 3.39Å
239T92.1Very high76.5Confident31 Ų3169.8 Ų69.819%0.1945%0.446CS..PPolyproline II helixtrans-98.4160.6169.854.90000110G235 P236 V364 L365 Y366G235-T239 VanDerWaalsContact CA-O 3.28Å; G235-T239 WeakPolarHBondContact CA-O 3.28Å; G235-T239 PolarHBondContact N-O 2.73Å; P236-T239 PolarHBondContact O-OG1 3.09Å; T239-V364 HydrophobicContact CG2-CG1 3.58Å; T239-L365 CarbonylContact C-O 3.48Å; T239-L365 VanDerWaalsContact CA-O 3.24Å; T239-L365 WeakPolarHBondContact CA-O 3.33Å; T239-L365 WeakPolarHBondContact CB-O 3.24Å; T239-Y366 HydrophobicContact CG2-CD1 3.85Å; T239-Y366 HydrophobicContact CG2-CE1 3.73Å
240L94.9Very high78.9Confident23 Ų2368.2 Ų68.212%0.1244%0.443CS..BIsolated β-bridgetrans-99.3141.5171.3-61.8176.2000108.8V242 Y244 L365L240-V242 PolarHBondContact O-N 3.49Å; L240-Y244 HydrophobicContact CB-CD2 3.87Å; L240-Y244 HydrophobicContact CB-CE2 4.12Å; L240-Y244 HydrophobicContact CB-CG 4.36Å; L240-Y244 HydrophobicContact CD1-CD1 4.36Å; L240-Y244 HydrophobicContact CD1-CD2 4.19Å; L240-Y244 HydrophobicContact CD1-CE1 3.99Å; L240-Y244 HydrophobicContact CD1-CE2 3.81Å; L240-Y244 HydrophobicContact CD1-CG 4.44Å; L240-Y244 HydrophobicContact CD2-CE2 4Å; L240-Y244 HydrophobicContact CG-CD2 4.44Å; L240-Y244 HydrophobicContact CG-CE2 4.2Å; L240-L365 HydrophobicContact CB-CB 4.13Å; L240-L365 HydrophobicContact CB-CD2 3.76Å; L240-L365 HydrophobicContact CB-CG 3.89Å; L240-L365 HydrophobicContact CD1-CD2 3.87Å; L240-L365 HydrophobicContact CD1-CG 4.02Å; L240-L365 HydrophobicContact CG-CD2 4.44Å; L240-L365 HydrophobicContact CG-CG 4.42Å; L240-L365 PolarHBondContact N-O 3.18Å
241I96.3Very high81Confident112 Ų11260.4 Ų60.457%0.57442%0.415SS*.PPolyproline II helixtrans-72.4129-179.8-61.7175.3000109.1P243 Y244I241-P243 CarbonylContact O-C 3.46Å; I241-P243 VanDerWaalsContact O-O 3.12Å; I241-Y244 WeakPolarHBondContact O-CB 3.37Å
242V97.1Very high83.4Confident45 Ų4558 Ų5827%0.27339%0.39SS..SBendtrans-100.6133.8175.4177.40000109.1L240 V363 L365L240-V242 PolarHBondContact O-N 3.49Å; V242-V363 HydrophobicContact CG2-CG1 4.45Å; V242-L365 HydrophobicContact CG2-CB 3.7Å; V242-L365 HydrophobicContact CG2-CD2 4.48Å
243P97.8Very high85.4Confident92 Ų9262 Ų6260%0.59740%0.403SS*.SBendcis-67.11392.830-36.2000112.9I241 V359 T360I241-P243 CarbonylContact O-C 3.46Å; I241-P243 VanDerWaalsContact O-O 3.12Å; P243-V359 VanDerWaalsContact CA-O 3.32Å; P243-V359 WeakPolarHBondContact CA-O 3.27Å; P243-T360 HydrophobicContact CB-CG2 3.71Å
244Y98.4Very high87.5Confident21 Ų2159 Ų598%0.08238%0.384CS..EExtended strand (participates in β ladder)trans-116.4127.3-178.6-177.3-101.2000110.5L240 I241 L246 R358 V359 L365 A368L240-Y244 HydrophobicContact CB-CD2 3.87Å; L240-Y244 HydrophobicContact CB-CE2 4.12Å; L240-Y244 HydrophobicContact CB-CG 4.36Å; L240-Y244 HydrophobicContact CD1-CD1 4.36Å; L240-Y244 HydrophobicContact CD1-CD2 4.19Å; L240-Y244 HydrophobicContact CD1-CE1 3.99Å; L240-Y244 HydrophobicContact CD1-CE2 3.81Å; L240-Y244 HydrophobicContact CD1-CG 4.44Å; L240-Y244 HydrophobicContact CD2-CE2 4Å; L240-Y244 HydrophobicContact CG-CD2 4.44Å; L240-Y244 HydrophobicContact CG-CE2 4.2Å; I241-Y244 WeakPolarHBondContact O-CB 3.37Å; Y244-L246 HydrophobicContact CD1-CB 4.48Å; Y244-L246 HydrophobicContact CE1-CB 3.93Å; Y244-R358 CarbonylContact O-C 3.37Å; Y244-R358 WeakPolarHBondContact O-CA 3.48Å; Y244-V359 PolarHBondContact N-O 3.37Å; Y244-V359 PolarHBondContact O-N 2.98Å; Y244-L365 VanDerWaalsContact CB-CD2 3.41Å; Y244-L365 HydrophobicContact CD1-CD2 3.6Å; Y244-L365 HydrophobicContact CD2-CD2 4.32Å; Y244-L365 HydrophobicContact CE1-CD2 4.46Å; Y244-L365 HydrophobicContact CG-CD2 3.51Å; Y244-A368 HydrophobicContact CD1-CB 4.19Å; Y244-A368 HydrophobicContact CE1-CB 3.86Å
245D98.4Very high89.6Confident67 Ų6762.5 Ų62.536%0.35838%0.381SS..EExtended strand (participates in β ladder)trans-106.3120.9174.5-72.3-3.9000109.5P247 V356 R358D245-P247 WeakPolarHBondContact O-CD 3.46Å; D245-V356 HydrophobicContact CB-CG1 3.98Å; D245-R358 WeakPolarHBondContact OD1-CB 3.36Å; D245-R358 WeakPolarHBondContact OD1-CD 3.49Å; D245-R358 WeakPolarHBondContact OD1-CG 3.38Å; D245-R358 IonicContact OD1-CZ 2.73Å; D245-R358 IonicContact OD1-NE 3.53Å; D245-R358 PolarHBondContact OD1-NE 3.44Å; D245-R358 IonicContact OD1-NH2 3.59Å; D245-R358 IonicContact OD2-CZ 3.58Å; D245-R358 IonicContact OD2-NE 2.67Å; D245-R358 PolarHBondContact OD2-NE 2.92Å; D245-R358 IonicContact OD2-NH2 3.66Å; D245-R358 PolarHBondContact OD2-NH2 2.86Å
246L98Very high91.6Very high7 Ų762.9 Ų62.94%0.03738%0.381CS..EExtended strand (participates in β ladder)trans-97110.5170.3177.161.8000109Y244 L248 V258 L357 A368 P370Y244-L246 HydrophobicContact CD1-CB 4.48Å; Y244-L246 HydrophobicContact CE1-CB 3.93Å; L246-L248 HydrophobicContact CD2-CD2 4.28Å; L246-L248 HydrophobicContact CG-CD2 4.29Å; L246-L248 PolarHBondContact O-N 2.87Å; L246-V258 HydrophobicContact CD2-CG1 4.31Å; L246-L357 HydrophobicContact CB-CB 4.24Å; L246-L357 HydrophobicContact CB-CD2 4.16Å; L246-L357 HydrophobicContact CD2-CD2 4.36Å; L246-L357 PolarHBondContact N-O 2.94Å; L246-L357 PolarHBondContact O-N 3.3Å; L246-A368 HydrophobicContact CD2-CB 4.41Å; L246-P370 HydrophobicContact CD2-CG 4.48Å
247P97.9Very high94.1Very high68 Ų6858 Ų5844%0.44235%0.348SS..EExtended strand (participates in β ladder)trans-70.2128.2175.8-19.333.4000112D245D245-P247 WeakPolarHBondContact O-CD 3.46Å
248L97.1Very high95.8Very high10 Ų1054 Ų545%0.05231%0.308CS..  trans-11073.9176.2-57.4172.9000108.4L246 A250 G251 I252 F275 T355 L357 P370L246-L248 HydrophobicContact CD2-CD2 4.28Å; L246-L248 HydrophobicContact CG-CD2 4.29Å; L246-L248 PolarHBondContact O-N 2.87Å; L248-A250 PolarHBondContact O-N 2.84Å; L248-G251 PolarHBondContact O-N 2.89Å; L248-I252 HydrophobicContact CD1-CG2 3.65Å; L248-F275 HydrophobicContact CD1-CD1 4.27Å; L248-F275 HydrophobicContact CD1-CE1 4.3Å; L248-T355 PolarHBondContact N-O 2.98Å; L248-T355 WeakPolarHBondContact O-CA 3.37Å; L248-L357 HydrophobicContact CD1-CB 4.02Å; L248-P370 HydrophobicContact CD2-CB 4.25Å; L248-P370 HydrophobicContact CD2-CG 4.47Å
249H89.3Confident96.6Very high163 Ų16352.9 Ų52.976%0.75529%0.291SS*.THydrogen-bonded Turntrans-56.7-27.9-166.6-61.184.7000115.5
250A90.3Very high96.9Very high86 Ų8651.5 Ų51.571%0.71128%0.282SS*.THydrogen-bonded Turntrans-101.710.7179.500000112.8L248L248-A250 PolarHBondContact O-N 2.84Å
251G95.6Very high97.1Very high11 Ų1152.3 Ų52.311%0.11329%0.286CS..  trans75.5-161-167.300000112.7L248 E352 V354L248-G251 PolarHBondContact O-N 2.89Å; G251-E352 VanDerWaalsContact CA-O 3.22Å; G251-E352 WeakPolarHBondContact CA-O 3.33Å; G251-V354 CarbonylContact C-O 3.52Å; G251-V354 VanDerWaalsContact CA-O 3.24Å; G251-V354 WeakPolarHBondContact CA-O 3.38Å
252I97.7Very high97.2Very high3 Ų347 Ų472%0.01526%0.259CS..  trans-111.4148.9168.973.6-176.9000110.9L248 L256 F275 V327 F332 L351 V354L248-I252 HydrophobicContact CD1-CG2 3.65Å; I252-L256 HydrophobicContact CB-CD2 3.69Å; I252-L256 HydrophobicContact CG2-CD2 3.51Å; I252-F275 HydrophobicContact CD1-CD1 4.21Å; I252-F275 HydrophobicContact CG2-CD1 4.18Å; I252-F275 HydrophobicContact CG2-CE1 4.18Å; I252-V327 HydrophobicContact CB-CG2 4.23Å; I252-V327 HydrophobicContact CD1-CG1 4.24Å; I252-V327 HydrophobicContact CD1-CG2 4.13Å; I252-V327 HydrophobicContact CG1-CG1 4.26Å; I252-V327 HydrophobicContact CG1-CG2 4.5Å; I252-F332 HydrophobicContact CD1-CE1 3.62Å; I252-F332 HydrophobicContact CD1-CZ 3.62Å; I252-L351 HydrophobicContact CD1-CD2 4.18Å; I252-L351 HydrophobicContact CG1-CB 3.75Å; I252-L351 HydrophobicContact CG1-CD2 4.35Å; I252-L351 HydrophobicContact CG1-CG 4.45Å; I252-L351 WeakPolarHBondContact CG1-O 3.39Å; I252-L351 PolarHBondContact N-O 3.05Å; I252-L351 CarbonylContact O-C 3.57Å; I252-L351 VanDerWaalsContact O-C 3.31Å; I252-L351 WeakPolarHBondContact O-CB 3.32Å; I252-V354 HydrophobicContact CD1-CB 4.05Å; I252-V354 HydrophobicContact CD1-CG1 4.03Å; I252-V354 HydrophobicContact CD1-CG2 4.08Å; I252-V354 HydrophobicContact CG1-CB 3.98Å; I252-V354 HydrophobicContact CG1-CG1 4.4Å; I252-V354 HydrophobicContact CG1-CG2 4.21Å; I252-V354 HydrophobicContact CG2-CB 4.16Å; I252-V354 HydrophobicContact CG2-CG1 4.06Å
253M97.3Very high97.2Very high108 Ų10846.8 Ų46.853%0.53226%0.255SS..  trans-144.7159-179.765-169.1-62.500109.7R255 L256 M372M253-R255 PolarHBondContact O-N 2.83Å; M253-L256 WeakPolarHBondContact O-CB 3.42Å; M253-L256 PolarHBondContact O-N 2.88Å; M253-M372 HydrophobicContact CG-CE 3.87Å; M253-M372 HydrophobicContact CG-SD 4.21Å; M253-M372 HydrophobicContact SD-CE 4.05Å; M253-M372 HydrophobicContact SD-SD 4.42Å
254P98Very high97.3Very high50 Ų5042.4 Ų42.433%0.32523%0.227SC..THydrogen-bonded Turntrans-51.1142.4175.1-27.635.9000111.4L256 V327 E329P254-L256 VanDerWaalsContact C-N 3.25Å; P254-L256 PolarHBondContact O-N 2.85Å; P254-V327 CarbonylContact C-O 3.55Å; P254-V327 WeakPolarHBondContact CA-O 3.44Å; P254-E329 HydrophobicContact CB-CG 4.12Å; P254-E329 HydrophobicContact CG-CG 3.86Å
255R97.8Very high97.2Very high148 Ų14843.8 Ų43.856%0.55824%0.237SC*.THydrogen-bonded Turntrans74.62.5-174.5-43.7171.26487.72.9115.3M253 L257 V327 M372 I373M253-R255 PolarHBondContact O-N 2.83Å; R255-L257 PolarHBondContact O-N 2.91Å; R255-V327 PolarHBondContact N-O 3.02Å; R255-M372 HydrophobicContact CB-CE 3.98Å; R255-I373 HydrophobicContact CB-CG1 4.43Å; R255-I373 WeakPolarHBondContact CB-O 3.39Å; R255-I373 PolarHBondContact NE-O 3.4Å; R255-I373 PolarHBondContact NH2-O 3.46Å; R255-I373 PolarHBondContact NH2-OXT 3.38Å; R255-I373 WeakPolarHBondContact O-CG1 3.32Å; R255-I373 PolarHBondContact O-N 3.22Å; R255-I373 VanDerWaalsContact O-N 3.09Å
256L98.3Very high97.2Very high15 Ų1545.7 Ų45.78%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-69.6121.3165.7-179.370.8000109.4I252 M253 P254 V258 V327 P370 M372I252-L256 HydrophobicContact CB-CD2 3.69Å; I252-L256 HydrophobicContact CG2-CD2 3.51Å; M253-L256 WeakPolarHBondContact O-CB 3.42Å; M253-L256 PolarHBondContact O-N 2.88Å; P254-L256 VanDerWaalsContact C-N 3.25Å; P254-L256 PolarHBondContact O-N 2.85Å; L256-V258 HydrophobicContact CD2-CG2 4.44Å; L256-V258 HydrophobicContact CG-CG2 4.5Å; L256-V327 HydrophobicContact CB-CB 4.2Å; L256-V327 HydrophobicContact CB-CG2 4.12Å; L256-V327 HydrophobicContact CD2-CG2 4.3Å; L256-V327 PolarHBondContact O-N 3.15Å; L256-P370 HydrophobicContact CD1-CB 3.95Å; L256-M372 HydrophobicContact CB-SD 4Å; L256-M372 HydrophobicContact CD1-SD 3.88Å
257L98.7Very high97.1Very high25 Ų2548.5 Ų48.513%0.13128%0.283CS..EExtended strand (participates in β ladder)trans-110116.5172.1175.765.1000109.6R255 K324 L326 P370 S371 I373R255-L257 PolarHBondContact O-N 2.91Å; L257-K324 HydrophobicContact CD1-CB 3.95Å; L257-K324 HydrophobicContact CD1-CG 4.11Å; L257-L326 HydrophobicContact CB-CD1 4.45Å; L257-L326 HydrophobicContact CD1-CB 4.27Å; L257-P370 CarbonylContact O-C 3.57Å; L257-S371 PolarHBondContact N-O 3.46Å; L257-S371 PolarHBondContact O-N 2.81Å; L257-S371 PolarHBondContact O-OG 2.83Å; L257-S371 VanDerWaalsContact O-OG 3.14Å; L257-I373 HydrophobicContact CB-CG2 4.15Å; L257-I373 HydrophobicContact CD2-CG2 3.96Å
258V98.6Very high97Very high0 Ų045.5 Ų45.50%026%0.264CS..EExtended strand (participates in β ladder)trans-94.2128.1167.6-176.50000109.2L246 L256 V260 F275 K324 I325 L357L246-V258 HydrophobicContact CD2-CG1 4.31Å; L256-V258 HydrophobicContact CD2-CG2 4.44Å; L256-V258 HydrophobicContact CG-CG2 4.5Å; V258-V260 HydrophobicContact CG1-CG2 4.07Å; V258-F275 HydrophobicContact CG2-CE1 4.36Å; V258-F275 HydrophobicContact CG2-CZ 4.24Å; V258-K324 WeakPolarHBondContact O-CA 3.42Å; V258-I325 PolarHBondContact N-O 3.36Å; V258-I325 PolarHBondContact O-N 3.48Å; V258-L357 HydrophobicContact CB-CD1 4.37Å; V258-L357 HydrophobicContact CG1-CD1 3.79Å; V258-L357 HydrophobicContact CG2-CD1 4.29Å
259T98.7Very high97.1Very high26 Ų2647.9 Ų47.916%0.1628%0.277CS..EExtended strand (participates in β ladder)trans-112.6126.8171.8-55.50000110I261 E322 L323 K324 A368 A369T259-I261 HydrophobicContact CG2-CD1 4.22Å; T259-E322 HydrophobicContact CG2-CG 3.91Å; T259-L323 CarbonylContact C-O 3.46Å; T259-L323 WeakPolarHBondContact CA-O 3.17Å; T259-K324 HydrophobicContact CG2-CG 4.22Å; T259-A368 WeakPolarHBondContact O-CA 3.33Å; T259-A369 PolarHBondContact N-O 3.1Å; T259-A369 PolarHBondContact O-N 3.35Å
260V98.8Very high97.5Very high2 Ų245.7 Ų45.71%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-121.1124.1178.7177.30000108.8V258 L323 L365 S367 A368V258-V260 HydrophobicContact CG1-CG2 4.07Å; V260-L323 HydrophobicContact CB-CB 4.23Å; V260-L323 HydrophobicContact CB-CD2 4.43Å; V260-L323 PolarHBondContact N-O 2.69Å; V260-L323 PolarHBondContact O-N 3.36Å; V260-L365 HydrophobicContact CG1-CD1 3.61Å; V260-S367 WeakPolarHBondContact CA-O 3.48Å; V260-A368 HydrophobicContact CG2-CB 4.19Å
261I98.6Very high97.9Very high39 Ų3941.7 Ų41.720%0.223%0.229CC..EExtended strand (participates in β ladder)trans-106115.6172.3-52.6-58.1000108.2T259 F321 E322 Y366 S367T259-I261 HydrophobicContact CG2-CD1 4.22Å; I261-F321 WeakPolarHBondContact CA-O 3.31Å; I261-E322 HydrophobicContact CD1-CB 3.6Å; I261-E322 HydrophobicContact CD1-CG 3.58Å; I261-Y366 HydrophobicContact CG2-CD2 4.4Å; I261-Y366 PolarHBondContact O-N 3.27Å; I261-S367 WeakPolarHBondContact CB-OG 3.19Å; I261-S367 WeakPolarHBondContact CG1-OG 2.98Å; I261-S367 PolarHBondContact N-O 3.46Å; I261-S367 PolarHBondContact O-N 3.2Å
262G98.3Very high98.1Very high0 Ų043.2 Ų43.20%023%0.233CC..EExtended strand (participates in β ladder)trans-138167.5-177.300000112.7R320 F321 V364G262-R320 CarbonylContact O-C 3.59Å; G262-R320 VanDerWaalsContact O-CA 3.26Å; G262-R320 WeakPolarHBondContact O-CA 3.35Å; G262-F321 VanDerWaalsContact C-CE1 3.45Å; G262-F321 PolarHBondContact N-O 2.76Å; G262-F321 WeakPolarHBondContact O-CD1 3.41Å; G262-F321 PolarHBondContact O-N 2.82Å; G262-V364 CarbonylContact C-O 3.44Å; G262-V364 VanDerWaalsContact CA-O 3.27Å; G262-V364 WeakPolarHBondContact CA-O 3.27Å
263E98.5Very high98.1Very high42 Ų4243.1 Ų43.120%0.19623%0.233CC..EExtended strand (participates in β ladder)trans-140.1111.9174.1-179.5-179.4155.400108.5V265 R320 V364 Y366E263-V265 PolarHBondContact O-N 2.87Å; E263-R320 HydrophobicContact CB-CG 3.97Å; E263-R320 HydrophobicContact CG-CG 4.31Å; E263-R320 WeakPolarHBondContact OE2-CG 3.33Å; E263-R320 IonicContact OE2-NE 2.67Å; E263-V364 HydrophobicContact CB-CB 4.48Å; E263-V364 PolarHBondContact N-O 2.81Å; E263-V364 PolarHBondContact O-N 3.47Å; E263-Y366 HydrophobicContact CB-CE2 3.71Å; E263-Y366 PolarHBondContact OE2-OH 3.48Å
264P98.4Very high98.2Very high0 Ų038.4 Ų38.40%021%0.21CC..EExtended strand (participates in β ladder)trans-63.9134177.2-14.729.3000108.7A268 F271 F289 G318 R319 F321 D362P264-A268 HydrophobicContact CB-CB 4.34Å; P264-F271 HydrophobicContact CG-CE1 4.15Å; P264-F289 HydrophobicContact CB-CE1 4.1Å; P264-F289 HydrophobicContact CB-CE2 3.87Å; P264-F289 HydrophobicContact CB-CZ 3.31Å; P264-F289 HydrophobicContact CG-CE1 4.28Å; P264-F289 HydrophobicContact CG-CE2 4.43Å; P264-F289 HydrophobicContact CG-CZ 3.55Å; P264-G318 PolarHBondContact O-N 3.45Å; P264-R319 VanDerWaalsContact CD-O 3.23Å; P264-R319 WeakPolarHBondContact CD-O 3.47Å; P264-F321 HydrophobicContact CG-CD1 4.15Å; P264-F321 HydrophobicContact CG-CE1 3.99Å; P264-D362 WeakPolarHBondContact CA-O 3.35Å
265V97.6Very high98.3Very high49 Ų4936 Ų3630%0.29719%0.194SC..PPolyproline II helixtrans-67.9150.8-177.3-63.40000111.1E263 G267 A268 D362 V364E263-V265 PolarHBondContact O-N 2.87Å; V265-G267 PolarHBondContact O-N 2.9Å; V265-A268 HydrophobicContact CG2-CB 4.03Å; V265-A268 WeakPolarHBondContact O-CB 3.44Å; V265-A268 PolarHBondContact O-N 3.38Å; V265-D362 HydrophobicContact CG2-CB 3.82Å; V265-D362 PolarHBondContact N-O 3.27Å; V265-D362 VanDerWaalsContact N-O 3.09Å; V265-V364 HydrophobicContact CG1-CG2 3.85Å
266P96.9Very high98.3Very high107 Ų10729.9 Ų29.970%0.69517%0.172SC*.THydrogen-bonded Turntrans-53.2127168.1-26.635.8000111.2
267G96.3Very high98.3Very high66 Ų6630.9 Ų30.968%0.6818%0.176SC*.THydrogen-bonded Turntrans80.811.6-175.400000115.3V265V265-G267 PolarHBondContact O-N 2.9Å
268A97.2Very high98.1Very high5 Ų532.3 Ų32.34%0.04120%0.196CC..  trans-54.6134.8175.400000112.6P264 V265 F289 Q317 D362P264-A268 HydrophobicContact CB-CB 4.34Å; V265-A268 HydrophobicContact CG2-CB 4.03Å; V265-A268 WeakPolarHBondContact O-CB 3.44Å; V265-A268 PolarHBondContact O-N 3.38Å; A268-F289 HydrophobicContact CB-CD2 3.86Å; A268-F289 HydrophobicContact CB-CE2 3.89Å; A268-F289 WeakPolarHBondContact O-CB 3.37Å; A268-Q317 HydrophobicContact CB-CG 4.35Å; A268-Q317 PolarHBondContact O-NE2 2.9Å; A268-D362 HydrophobicContact CB-CB 3.52Å
269D98Very high98.1Very high60 Ų6038.1 Ų38.132%0.32123%0.234SC..  trans-84-51.4169.6179.354.4000109.8F289 N290 D362D269-F289 PolarHBondContact O-N 3.04Å; D269-N290 PolarHBondContact OD1-ND2 3.13Å; D269-D362 PolarHBondContact N-OD2 2.71Å
270R98.4Very high98Very high118 Ų11838.7 Ų38.745%0.44524%0.236SC..BIsolated β-bridgetrans-163.3160.2-179.865.8-173.9-173.8-85-0.5112.9P287 R288 D362R270-P287 VanDerWaalsContact CA-O 3.29Å; R270-P287 WeakPolarHBondContact CA-O 3.29Å; R270-P287 VanDerWaalsContact CB-O 3.29Å; R270-P287 WeakPolarHBondContact CB-O 3.29Å; R270-R288 HydrophobicContact CB-CG 4.27Å; R270-D362 PolarHBondContact N-OD2 2.8Å; R270-D362 WeakPolarHBondContact O-CB 3.28Å; R270-D362 PolarHBondContact O-N 2.86Å
271F98.8Very high98Very high2 Ų239.4 Ų39.41%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-133.5167.5161.171.6-87.4000109.9P264 F285 N286 P287 F289 F315 F321 T360 V363P264-F271 HydrophobicContact CG-CE1 4.15Å; F271-F285 HydrophobicContact CE2-CE1 4.48Å; F271-N286 WeakPolarHBondContact O-CA 3.4Å; F271-N286 PolarHBondContact O-ND2 2.88Å; F271-P287 HydrophobicContact CD1-CB 4.23Å; F271-P287 HydrophobicContact CD1-CG 4.45Å; F271-P287 HydrophobicContact CE1-CB 3.72Å; F271-P287 HydrophobicContact CE1-CG 3.79Å; F271-P287 HydrophobicContact CE2-CG 3.94Å; F271-P287 HydrophobicContact CZ-CB 4Å; F271-P287 HydrophobicContact CZ-CG 3.52Å; F271-P287 PolarHBondContact N-O 2.85Å; F271-P287 VanDerWaalsContact O-CD 3.29Å; F271-P287 WeakPolarHBondContact O-CD 3.26Å; F271-F289 AromaticContact CD1-CE2 3.94Å; F271-F289 HydrophobicContact CD1-CE2 3.94Å; F271-F289 HydrophobicContact CD1-CZ 4.33Å; F271-F289 HydrophobicContact CE1-CE2 4.17Å; F271-F289 HydrophobicContact CE1-CZ 4.14Å; F271-F315 HydrophobicContact CE1-CD1 4.15Å; F271-F315 HydrophobicContact CE1-CE1 4.4Å; F271-F315 HydrophobicContact CE1-CG 4.23Å; F271-F315 AromaticContact CZ-CD1 3.92Å; F271-F315 HydrophobicContact CZ-CD1 3.92Å; F271-F315 AromaticContact CZ-CE1 3.71Å; F271-F315 HydrophobicContact CZ-CE1 3.71Å; F271-F315 HydrophobicContact CZ-CE2 4.32Å; F271-F315 HydrophobicContact CZ-CG 4.31Å; F271-F315 AromaticContact CZ-CZ 3.92Å; F271-F315 HydrophobicContact CZ-CZ 3.92Å; F271-F321 HydrophobicContact CE1-CE1 4.3Å; F271-F321 HydrophobicContact CE1-CZ 4.5Å; F271-F321 HydrophobicContact CE2-CE1 4.42Å; F271-F321 AromaticContact CE2-CZ 3.84Å; F271-F321 HydrophobicContact CE2-CZ 3.84Å; F271-F321 AromaticContact CZ-CE1 3.88Å; F271-F321 HydrophobicContact CZ-CE1 3.88Å; F271-F321 HydrophobicContact CZ-CE2 4.46Å; F271-F321 AromaticContact CZ-CZ 3.69Å; F271-F321 HydrophobicContact CZ-CZ 3.69Å; F271-T360 CarbonylContact C-O 3.51Å; F271-T360 WeakPolarHBondContact CA-O 2.82Å; F271-T360 WeakPolarHBondContact CB-O 3.3Å; F271-V363 HydrophobicContact CB-CB 3.95Å; F271-V363 HydrophobicContact CB-CG1 3.91Å; F271-V363 HydrophobicContact CG-CB 4.16Å; F271-V363 HydrophobicContact CG-CG1 4.35Å
272Q98.8Very high98Very high43 Ų4337.9 Ų37.920%0.20123%0.233CC..EExtended strand (participates in β ladder)trans-144.1149.2178.164.8-165.253.400112.6D274 F285 N286 V359 T360Q272-D274 PolarHBondContact NE2-OD2 3.24Å; Q272-F285 CarbonylContact C-O 3.59Å; Q272-F285 WeakPolarHBondContact CA-O 3.2Å; Q272-N286 HydrophobicContact CB-CB 4.19Å; Q272-V359 WeakPolarHBondContact O-CA 3.31Å; Q272-T360 VanDerWaalsContact CD-OG1 3.24Å; Q272-T360 WeakPolarHBondContact CG-OG1 3.2Å; Q272-T360 PolarHBondContact N-O 2.87Å; Q272-T360 PolarHBondContact NE2-OG1 2.8Å; Q272-T360 PolarHBondContact O-N 3.26Å
273V98.9Very high98.1Very high1 Ų137.9 Ų37.91%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-122.1116.1171-177.20000107.3F285 L323 I325 L357 R358 V359V273-F285 HydrophobicContact CB-CB 4.36Å; V273-F285 HydrophobicContact CB-CD1 4.42Å; V273-F285 HydrophobicContact CG2-CD1 4.43Å; V273-F285 PolarHBondContact N-O 3.46Å; V273-F285 PolarHBondContact O-N 2.95Å; V273-L323 HydrophobicContact CG2-CD2 3.94Å; V273-I325 HydrophobicContact CG1-CD1 4.1Å; V273-L357 HydrophobicContact CG1-CD1 3.74Å; V273-L357 HydrophobicContact CG1-CD2 4.06Å; V273-L357 HydrophobicContact CG1-CG 3.86Å; V273-R358 CarbonylContact C-O 3.55Å; V273-R358 WeakPolarHBondContact CA-O 3.21Å; V273-V359 HydrophobicContact CG2-CG2 4.31Å
274D98.9Very high98.1Very high9 Ų936.3 Ų36.35%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-116.2128.5-173.1-62.4-33.1000110.5Q272 L276 V281 F283 H284 L357 R358Q272-D274 PolarHBondContact NE2-OD2 3.24Å; D274-L276 HydrophobicContact CB-CD1 4.21Å; D274-L276 WeakPolarHBondContact O-CD1 3.41Å; D274-V281 HydrophobicContact CB-CG1 4Å; D274-F283 WeakPolarHBondContact CA-O 3.2Å; D274-H284 IonicContact OD1-CE1 3.76Å; D274-H284 IonicContact OD1-CG 3.83Å; D274-H284 IonicContact OD1-ND1 2.69Å; D274-H284 PolarHBondContact OD1-ND1 2.8Å; D274-L357 CarbonylContact O-C 3.52Å; D274-L357 VanDerWaalsContact O-CA 3.3Å; D274-L357 WeakPolarHBondContact O-CA 3.49Å; D274-R358 HydrophobicContact CB-CB 4.46Å; D274-R358 PolarHBondContact N-O 3.44Å; D274-R358 PolarHBondContact O-N 3.29Å
275F98.8Very high98.1Very high0 Ų036.3 Ų36.30%023%0.226CC..EExtended strand (participates in β ladder)trans-92.9119.2166.6-75.7-100.3000109.2L248 I252 V258 V281 V282 F283 I325 F332 V354 L357L248-F275 HydrophobicContact CD1-CD1 4.27Å; L248-F275 HydrophobicContact CD1-CE1 4.3Å; I252-F275 HydrophobicContact CD1-CD1 4.21Å; I252-F275 HydrophobicContact CG2-CD1 4.18Å; I252-F275 HydrophobicContact CG2-CE1 4.18Å; V258-F275 HydrophobicContact CG2-CE1 4.36Å; V258-F275 HydrophobicContact CG2-CZ 4.24Å; F275-V281 CarbonylContact O-C 3.54Å; F275-V281 WeakPolarHBondContact O-CA 3.49Å; F275-V282 HydrophobicContact CB-CG2 3.75Å; F275-V282 WeakPolarHBondContact O-CG2 3.05Å; F275-V282 PolarHBondContact O-N 2.9Å; F275-F283 HydrophobicContact CB-CB 4.23Å; F275-F283 HydrophobicContact CD2-CB 4.16Å; F275-F283 AromaticContact CD2-CD1 3.6Å; F275-F283 HydrophobicContact CD2-CD1 3.6Å; F275-F283 HydrophobicContact CD2-CE1 4.48Å; F275-F283 HydrophobicContact CD2-CG 4.29Å; F275-F283 AromaticContact CE2-CD1 3.77Å; F275-F283 HydrophobicContact CE2-CD1 3.77Å; F275-F283 HydrophobicContact CE2-CE1 4.29Å; F275-F283 PolarHBondContact N-O 2.77Å; F275-I325 HydrophobicContact CE2-CD1 3.81Å; F275-I325 HydrophobicContact CE2-CG2 3.94Å; F275-I325 HydrophobicContact CZ-CB 4.37Å; F275-I325 HydrophobicContact CZ-CD1 4.33Å; F275-I325 HydrophobicContact CZ-CG2 3.88Å; F275-F332 HydrophobicContact CD1-CE1 4.17Å; F275-F332 HydrophobicContact CD2-CE1 4.31Å; F275-F332 HydrophobicContact CE1-CE1 4.14Å; F275-F332 HydrophobicContact CE2-CE1 4.28Å; F275-F332 HydrophobicContact CG-CE1 4.24Å; F275-F332 HydrophobicContact CG-CZ 4.48Å; F275-F332 HydrophobicContact CZ-CE1 4.18Å; F275-V354 HydrophobicContact CB-CG1 3.81Å; F275-V354 HydrophobicContact CD1-CG1 3.93Å; F275-V354 HydrophobicContact CG-CG1 4.38Å; F275-L357 HydrophobicContact CD1-CD1 4.49Å; F275-L357 HydrophobicContact CD2-CD1 4.33Å; F275-L357 HydrophobicContact CE1-CD1 3.91Å; F275-L357 HydrophobicContact CE2-CD1 3.72Å; F275-L357 HydrophobicContact CZ-CD1 3.51Å
276L98.7Very high98.2Very high19 Ų1934.1 Ų34.110%0.09921%0.212CC..EExtended strand (participates in β ladder)trans-106.3130.9-173.7-59.199.1000112.5D274 D280 V354 T355 V356 R358D274-L276 HydrophobicContact CB-CD1 4.21Å; D274-L276 WeakPolarHBondContact O-CD1 3.41Å; L276-D280 CarbonylContact C-O 3.54Å; L276-D280 VanDerWaalsContact CA-O 3.31Å; L276-D280 WeakPolarHBondContact CA-O 3.23Å; L276-V354 CarbonylContact O-C 3.58Å; L276-V354 VanDerWaalsContact O-CA 3.31Å; L276-V354 WeakPolarHBondContact O-CA 3.17Å; L276-T355 PolarHBondContact O-N 2.68Å; L276-V356 HydrophobicContact CB-CB 4.28Å; L276-V356 HydrophobicContact CD1-CB 4.03Å; L276-V356 HydrophobicContact CD1-CG1 3.94Å; L276-V356 WeakPolarHBondContact CD1-O 3.48Å; L276-V356 PolarHBondContact N-O 3.27Å; L276-R358 HydrophobicContact CD1-CB 3.51Å
277K97.8Very high98.3Very high36 Ų3629 Ų2916%0.15718%0.179CC..EExtended strand (participates in β ladder)trans-114.690.8170-178.7-179.4176.9172.50108.1P279 D280 V282 G349 E353 V354K277-P279 WeakPolarHBondContact O-CD 3.34Å; K277-D280 PolarHBondContact N-O 2.81Å; K277-D280 PolarHBondContact O-N 2.83Å; K277-V282 HydrophobicContact CB-CG1 3.52Å; K277-V282 HydrophobicContact CD-CG1 4.09Å; K277-V282 HydrophobicContact CG-CG1 4.45Å; K277-G349 PolarHBondContact NZ-O 2.93Å; K277-E353 HydrophobicContact CD-CB 4.22Å; K277-E353 WeakPolarHBondContact CE-OE2 3.48Å; K277-E353 HydrophobicContact CG-CB 3.84Å; K277-E353 IonicContact NZ-OE2 3.47Å; K277-E353 PolarHBondContact NZ-OE2 2.84Å; K277-V354 HydrophobicContact CB-CG2 4.21Å
278G96.1Very high98.4Very high54 Ų5428.1 Ų28.156%0.55716%0.155SC*.THydrogen-bonded Turntrans58.8-121.7-169.300000110.9D280G278-D280 VanDerWaalsContact C-N 3.35Å
279P96.8Very high98.4Very high122 Ų12229 Ų2979%0.79216%0.158SC*.THydrogen-bonded Turntrans-80.7-13.9177.135-35.6000113.9K277K277-P279 WeakPolarHBondContact O-CD 3.34Å
280D98.4Very high98.3Very high39 Ų3931.2 Ų31.221%0.20917%0.17CC..EExtended strand (participates in β ladder)trans-86.2147.3-174.5-68.6-22.8000111.3L276 K277 G278 S299 L300 G301L276-D280 CarbonylContact C-O 3.54Å; L276-D280 VanDerWaalsContact CA-O 3.31Å; L276-D280 WeakPolarHBondContact CA-O 3.23Å; K277-D280 PolarHBondContact N-O 2.81Å; K277-D280 PolarHBondContact O-N 2.83Å; G278-D280 VanDerWaalsContact C-N 3.35Å; D280-S299 WeakPolarHBondContact CA-O 3.37Å; D280-L300 HydrophobicContact CB-CD2 4.1Å; D280-G301 PolarHBondContact OD1-N 2.89Å
281V98.8Very high98.2Very high17 Ų1729.8 Ų29.810%0.10317%0.168CC..EExtended strand (participates in β ladder)trans-102.3105.2169.6-178.20000107.5D274 F275 H284 S298 S299D274-V281 HydrophobicContact CB-CG1 4Å; F275-V281 CarbonylContact O-C 3.54Å; F275-V281 WeakPolarHBondContact O-CA 3.49Å; V281-H284 HydrophobicContact CG1-CB 3.81Å; V281-S298 CarbonylContact O-C 3.58Å; V281-S298 WeakPolarHBondContact O-CA 3.2Å; V281-S298 WeakPolarHBondContact O-CB 3.47Å; V281-S299 PolarHBondContact N-O 2.88Å; V281-S299 PolarHBondContact O-N 3.06Å
282V98.6Very high98.2Very high6 Ų636.4 Ų36.44%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-78.4-30.7-177.3-58.60000111.8F275 K277 S298 V348 V354F275-V282 HydrophobicContact CB-CG2 3.75Å; F275-V282 WeakPolarHBondContact O-CG2 3.05Å; F275-V282 PolarHBondContact O-N 2.9Å; K277-V282 HydrophobicContact CB-CG1 3.52Å; K277-V282 HydrophobicContact CD-CG1 4.09Å; K277-V282 HydrophobicContact CG-CG1 4.45Å; V282-S298 PolarHBondContact O-OG 3.14Å; V282-V348 HydrophobicContact CB-CG1 4.04Å; V282-V348 HydrophobicContact CG1-CG1 3.58Å; V282-V354 HydrophobicContact CG1-CG2 4.37Å; V282-V354 HydrophobicContact CG2-CG1 4.1Å; V282-V354 HydrophobicContact CG2-CG2 3.73Å
283F98.9Very high98.1Very high0 Ų035.2 Ų35.20%020%0.195CC..EExtended strand (participates in β ladder)trans-142.6115172.5174.8-141.8000109.5D274 F275 F285 R296 I325 F332 V334 Y344D274-F283 WeakPolarHBondContact CA-O 3.2Å; F275-F283 HydrophobicContact CB-CB 4.23Å; F275-F283 HydrophobicContact CD2-CB 4.16Å; F275-F283 AromaticContact CD2-CD1 3.6Å; F275-F283 HydrophobicContact CD2-CD1 3.6Å; F275-F283 HydrophobicContact CD2-CE1 4.48Å; F275-F283 HydrophobicContact CD2-CG 4.29Å; F275-F283 AromaticContact CE2-CD1 3.77Å; F275-F283 HydrophobicContact CE2-CD1 3.77Å; F275-F283 HydrophobicContact CE2-CE1 4.29Å; F275-F283 PolarHBondContact N-O 2.77Å; F283-F285 HydrophobicContact CE1-CB 4.3Å; F283-F285 HydrophobicContact CE2-CB 4.19Å; F283-F285 HydrophobicContact CZ-CB 3.85Å; F283-F285 HydrophobicContact CZ-CD2 4.11Å; F283-F285 HydrophobicContact CZ-CG 4.43Å; F283-R296 HydrophobicContact CE2-CB 4.09Å; F283-R296 HydrophobicContact CE2-CG 4.08Å; F283-I325 HydrophobicContact CE1-CD1 4.3Å; F283-I325 HydrophobicContact CE1-CG2 4.09Å; F283-F332 HydrophobicContact CB-CD2 4.01Å; F283-F332 HydrophobicContact CB-CE2 3.6Å; F283-F332 HydrophobicContact CB-CZ 3.88Å; F283-F332 HydrophobicContact CD1-CB 4.16Å; F283-F332 AromaticContact CD1-CD1 3.82Å; F283-F332 HydrophobicContact CD1-CD1 3.82Å; F283-F332 AromaticContact CD1-CD2 3.89Å; F283-F332 HydrophobicContact CD1-CD2 3.89Å; F283-F332 HydrophobicContact CD1-CE1 4.11Å; F283-F332 HydrophobicContact CD1-CE2 4.18Å; F283-F332 AromaticContact CD1-CG 3.69Å; F283-F332 HydrophobicContact CD1-CG 3.69Å; F283-F332 HydrophobicContact CD1-CZ 4.28Å; F283-F332 HydrophobicContact CE1-CB 4.01Å; F283-F332 HydrophobicContact CE1-CD1 4.3Å; F283-F332 HydrophobicContact CE1-CG 4.05Å; F283-F332 AromaticContact CG-CD2 3.96Å; F283-F332 HydrophobicContact CG-CD2 3.96Å; F283-F332 HydrophobicContact CG-CE2 4.06Å; F283-F332 HydrophobicContact CG-CG 4.24Å; F283-F332 HydrophobicContact CG-CZ 4.45Å; F283-V334 HydrophobicContact CE1-CG2 4.23Å; F283-V334 HydrophobicContact CZ-CG2 4.01Å; F283-Y344 HydrophobicContact CB-CD1 4.25Å; F283-Y344 HydrophobicContact CB-CE1 4.27Å; F283-Y344 AromaticContact CD2-CD1 3.3Å; F283-Y344 HydrophobicContact CD2-CD1 3.3Å; F283-Y344 HydrophobicContact CD2-CD2 4.4Å; F283-Y344 AromaticContact CD2-CE1 3.68Å; F283-Y344 HydrophobicContact CD2-CE1 3.68Å; F283-Y344 AromaticContact CD2-CG 3.71Å; F283-Y344 HydrophobicContact CD2-CG 3.71Å; F283-Y344 AromaticContact CE2-CD1 3.8Å; F283-Y344 HydrophobicContact CE2-CD1 3.8Å; F283-Y344 HydrophobicContact CE2-CD2 4.3Å; F283-Y344 HydrophobicContact CE2-CE1 4.48Å; F283-Y344 AromaticContact CE2-CG 3.7Å; F283-Y344 HydrophobicContact CE2-CG 3.7Å; F283-Y344 AromaticContact CG-CD1 3.93Å; F283-Y344 HydrophobicContact CG-CD1 3.93Å; F283-Y344 HydrophobicContact CG-CE1 4.33Å
284H98.9Very high98.1Very high10 Ų1035.5 Ų35.55%0.04620%0.197CC..EExtended strand (participates in β ladder)trans-102.6117.3172.3177.566.2000108.2D274 V281 N286 R296 N297 W304D274-H284 IonicContact OD1-CE1 3.76Å; D274-H284 IonicContact OD1-CG 3.83Å; D274-H284 IonicContact OD1-ND1 2.69Å; D274-H284 PolarHBondContact OD1-ND1 2.8Å; V281-H284 HydrophobicContact CG1-CB 3.81Å; H284-N286 WeakPolarHBondContact NE2-CB 3.5Å; H284-R296 VanDerWaalsContact O-CA 3.22Å; H284-R296 WeakPolarHBondContact O-CA 3.39Å; H284-N297 VanDerWaalsContact CB-O 3.29Å; H284-N297 WeakPolarHBondContact CB-O 3.38Å; H284-N297 PolarHBondContact N-O 2.91Å; H284-N297 PolarHBondContact O-N 2.9Å; H284-W304 HydrophobicContact CB-CH2 3.73Å; H284-W304 HydrophobicContact CB-CZ3 3.55Å; H284-W304 AromaticContact CD2-CH2 3.7Å; H284-W304 AromaticContact CD2-CZ3 3.77Å; H284-W304 AromaticContact CE1-CH2 3.99Å; H284-W304 AromaticContact CG-CH2 3.48Å; H284-W304 VanDerWaalsContact CG-CH2 3.48Å; H284-W304 AromaticContact CG-CZ3 3.67Å; H284-W304 AromaticContact ND1-CH2 3.69Å
285F98.9Very high98.1Very high0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-109.4110.6172.4176.5-93.1000108.7F271 Q272 V273 F283 P287 I294 F315 L323 V334 L341 L342F271-F285 HydrophobicContact CE2-CE1 4.48Å; Q272-F285 CarbonylContact C-O 3.59Å; Q272-F285 WeakPolarHBondContact CA-O 3.2Å; V273-F285 HydrophobicContact CB-CB 4.36Å; V273-F285 HydrophobicContact CB-CD1 4.42Å; V273-F285 HydrophobicContact CG2-CD1 4.43Å; V273-F285 PolarHBondContact N-O 3.46Å; V273-F285 PolarHBondContact O-N 2.95Å; F283-F285 HydrophobicContact CE1-CB 4.3Å; F283-F285 HydrophobicContact CE2-CB 4.19Å; F283-F285 HydrophobicContact CZ-CB 3.85Å; F283-F285 HydrophobicContact CZ-CD2 4.11Å; F283-F285 HydrophobicContact CZ-CG 4.43Å; F285-P287 HydrophobicContact CD1-CG 3.98Å; F285-P287 HydrophobicContact CE1-CG 3.35Å; F285-P287 HydrophobicContact CZ-CG 3.88Å; F285-I294 HydrophobicContact CD2-CG2 3.75Å; F285-I294 HydrophobicContact CE2-CD1 4.21Å; F285-I294 HydrophobicContact CE2-CG2 3.46Å; F285-I294 VanDerWaalsContact CE2-CG2 3.46Å; F285-I294 HydrophobicContact CG-CG2 4.43Å; F285-I294 HydrophobicContact CZ-CD1 4.06Å; F285-I294 HydrophobicContact CZ-CG2 3.9Å; F285-F315 HydrophobicContact CE1-CE2 4.19Å; F285-F315 AromaticContact CE1-CZ 3.88Å; F285-F315 HydrophobicContact CE1-CZ 3.88Å; F285-F315 AromaticContact CZ-CE2 3.93Å; F285-F315 HydrophobicContact CZ-CE2 3.93Å; F285-F315 AromaticContact CZ-CZ 3.78Å; F285-F315 HydrophobicContact CZ-CZ 3.78Å; F285-L323 HydrophobicContact CD1-CD2 4.27Å; F285-L323 HydrophobicContact CE1-CD1 4.22Å; F285-L323 HydrophobicContact CE1-CD2 4.04Å; F285-L323 HydrophobicContact CZ-CD1 4.12Å; F285-V334 HydrophobicContact CE2-CG1 3.92Å; F285-V334 HydrophobicContact CZ-CG1 4.36Å; F285-L341 HydrophobicContact CE2-CD2 4.44Å; F285-L341 HydrophobicContact CZ-CD2 4.36Å; F285-L342 HydrophobicContact CE2-CD2 4.07Å
286N98.9Very high98.1Very high3 Ų336.3 Ų36.32%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-130.991.1-171.1175-133.6000113.5F271 Q272 H284 R288 V295F271-N286 WeakPolarHBondContact O-CA 3.4Å; F271-N286 PolarHBondContact O-ND2 2.88Å; Q272-N286 HydrophobicContact CB-CB 4.19Å; H284-N286 WeakPolarHBondContact NE2-CB 3.5Å; N286-R288 PolarHBondContact O-N 2.86Å; N286-R288 PolarHBondContact OD1-NE 3.3Å; N286-V295 HydrophobicContact CB-CB 4.45Å; N286-V295 PolarHBondContact N-O 3.28Å; N286-V295 PolarHBondContact O-N 2.94Å
287P98.8Very high98.1Very high0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-66.2125.3167.8-25.439000111.7R270 F271 F285 I294 F313 F315R270-P287 VanDerWaalsContact CA-O 3.29Å; R270-P287 WeakPolarHBondContact CA-O 3.29Å; R270-P287 VanDerWaalsContact CB-O 3.29Å; R270-P287 WeakPolarHBondContact CB-O 3.29Å; F271-P287 HydrophobicContact CD1-CB 4.23Å; F271-P287 HydrophobicContact CD1-CG 4.45Å; F271-P287 HydrophobicContact CE1-CB 3.72Å; F271-P287 HydrophobicContact CE1-CG 3.79Å; F271-P287 HydrophobicContact CE2-CG 3.94Å; F271-P287 HydrophobicContact CZ-CB 4Å; F271-P287 HydrophobicContact CZ-CG 3.52Å; F271-P287 PolarHBondContact N-O 2.85Å; F271-P287 VanDerWaalsContact O-CD 3.29Å; F271-P287 WeakPolarHBondContact O-CD 3.26Å; F285-P287 HydrophobicContact CD1-CG 3.98Å; F285-P287 HydrophobicContact CE1-CG 3.35Å; F285-P287 HydrophobicContact CZ-CG 3.88Å; P287-I294 HydrophobicContact CB-CG1 4.38Å; P287-I294 HydrophobicContact CG-CG1 4.31Å; P287-I294 HydrophobicContact CG-CG2 4.43Å; P287-F313 HydrophobicContact CB-CE2 3.82Å; P287-F313 HydrophobicContact CB-CZ 4.24Å; P287-F315 HydrophobicContact CB-CD2 3.69Å; P287-F315 HydrophobicContact CB-CE2 3.78Å; P287-F315 HydrophobicContact CB-CG 4.5Å; P287-F315 HydrophobicContact CG-CD2 3.83Å; P287-F315 HydrophobicContact CG-CE2 3.36Å; P287-F315 HydrophobicContact CG-CZ 3.94Å
288R98.7Very high98.2Very high46 Ų4634 Ų3417%0.17419%0.189CC..EExtended strand (participates in β ladder)trans-116.3118.4176.6-58.4-175.7-174.4172.67.8109.7R270 N286 E291 Q292 T293 V295 E307 F313R270-R288 HydrophobicContact CB-CG 4.27Å; N286-R288 PolarHBondContact O-N 2.86Å; N286-R288 PolarHBondContact OD1-NE 3.3Å; R288-E291 HydrophobicContact CB-CB 4.33Å; R288-E291 WeakPolarHBondContact CD-OE1 3.4Å; R288-E291 IonicContact NH1-OE1 3.52Å; R288-E291 PolarHBondContact NH1-OE1 3.45Å; R288-E291 VanDerWaalsContact NH1-OE1 3.13Å; R288-E291 IonicContact NH1-OE2 3.5Å; R288-Q292 WeakPolarHBondContact O-CA 3.29Å; R288-Q292 PolarHBondContact O-N 3.2Å; R288-T293 PolarHBondContact N-O 2.98Å; R288-T293 PolarHBondContact O-N 2.67Å; R288-V295 VanDerWaalsContact CZ-CG2 3.48Å; R288-E307 IonicContact NH2-OE1 3.7Å; R288-E307 PolarHBondContact NH2-OE1 3.38Å; R288-F313 WeakPolarHBondContact O-CE2 3.4Å
289F98.3Very high98.3Very high23 Ų2332 Ų3210%0.10117%0.167CC..THydrogen-bonded Turntrans-77.5-33.2-172.9-71.8-88.9000113P264 A268 D269 F271 E291 Q292 F313 F315 Q317P264-F289 HydrophobicContact CB-CE1 4.1Å; P264-F289 HydrophobicContact CB-CE2 3.87Å; P264-F289 HydrophobicContact CB-CZ 3.31Å; P264-F289 HydrophobicContact CG-CE1 4.28Å; P264-F289 HydrophobicContact CG-CE2 4.43Å; P264-F289 HydrophobicContact CG-CZ 3.55Å; A268-F289 HydrophobicContact CB-CD2 3.86Å; A268-F289 HydrophobicContact CB-CE2 3.89Å; A268-F289 WeakPolarHBondContact O-CB 3.37Å; D269-F289 PolarHBondContact O-N 3.04Å; F271-F289 AromaticContact CD1-CE2 3.94Å; F271-F289 HydrophobicContact CD1-CE2 3.94Å; F271-F289 HydrophobicContact CD1-CZ 4.33Å; F271-F289 HydrophobicContact CE1-CE2 4.17Å; F271-F289 HydrophobicContact CE1-CZ 4.14Å; F289-E291 VanDerWaalsContact C-N 3.33Å; F289-Q292 PolarHBondContact O-N 3.39Å; F289-F313 AromaticContact CD1-CE1 3.74Å; F289-F313 HydrophobicContact CD1-CE1 3.74Å; F289-F313 AromaticContact CD1-CZ 3.73Å; F289-F313 HydrophobicContact CD1-CZ 3.73Å; F289-F313 HydrophobicContact CD2-CZ 4.46Å; F289-F313 AromaticContact CE1-CE1 3.83Å; F289-F313 HydrophobicContact CE1-CE1 3.83Å; F289-F313 AromaticContact CE1-CZ 3.83Å; F289-F313 HydrophobicContact CE1-CZ 3.83Å; F289-F313 HydrophobicContact CG-CE1 4.45Å; F289-F313 HydrophobicContact CG-CZ 4.04Å; F289-F313 HydrophobicContact CZ-CZ 4.21Å; F289-F315 HydrophobicContact CE1-CB 3.83Å; F289-F315 HydrophobicContact CZ-CB 3.89Å; F289-Q317 HydrophobicContact CD1-CG 3.61Å; F289-Q317 HydrophobicContact CE1-CG 3.74Å; F289-Q317 HydrophobicContact CG-CG 4.22Å; F289-Q317 HydrophobicContact CZ-CG 4.44Å
290N95.9Very high98.4Very high108 Ų10829.1 Ų29.158%0.57814%0.144SC*.THydrogen-bonded Turntrans-64-37.117760.5-12.5000112.8D269D269-N290 PolarHBondContact OD1-ND2 3.13Å
291E96.3Very high98.3Very high87 Ų8730 Ų3041%0.40716%0.162SC..THydrogen-bonded Turntrans-92.4-12.4179.1-67.3175.7-13400112.3R288 F289 T293 R309R288-E291 HydrophobicContact CB-CB 4.33Å; R288-E291 WeakPolarHBondContact CD-OE1 3.4Å; R288-E291 IonicContact NH1-OE1 3.52Å; R288-E291 PolarHBondContact NH1-OE1 3.45Å; R288-E291 VanDerWaalsContact NH1-OE1 3.13Å; R288-E291 IonicContact NH1-OE2 3.5Å; F289-E291 VanDerWaalsContact C-N 3.33Å; E291-T293 HydrophobicContact CB-CG2 3.61Å; E291-T293 PolarHBondContact O-N 2.85Å; E291-T293 WeakPolarHBondContact OE2-CG2 3.3Å; E291-R309 IonicContact OE2-CZ 2.73Å; E291-R309 IonicContact OE2-NH1 3.09Å; E291-R309 PolarHBondContact OE2-NH1 2.7Å; E291-R309 IonicContact OE2-NH2 3.45Å
292Q97.6Very high98.2Very high141 Ų14132 Ų3266%0.65919%0.186SC*.THydrogen-bonded Turntrans45.246.7-167.5-58.7-161.1-79.400112.3R288 F289 F313R288-Q292 WeakPolarHBondContact O-CA 3.29Å; R288-Q292 PolarHBondContact O-N 3.2Å; F289-Q292 PolarHBondContact O-N 3.39Å; Q292-F313 HydrophobicContact CB-CB 4.36Å; Q292-F313 HydrophobicContact CB-CD1 4.37Å; Q292-F313 HydrophobicContact CB-CG 4.25Å; Q292-F313 VanDerWaalsContact O-CB 3.3Å; Q292-F313 WeakPolarHBondContact O-CB 3.49Å
293T98.4Very high98.2Very high19 Ų1940.5 Ų40.512%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-135157.1-178.7-164.30000110.7R288 E291 V295 R309 F313R288-T293 PolarHBondContact N-O 2.98Å; R288-T293 PolarHBondContact O-N 2.67Å; E291-T293 HydrophobicContact CB-CG2 3.61Å; E291-T293 PolarHBondContact O-N 2.85Å; E291-T293 WeakPolarHBondContact OE2-CG2 3.3Å; T293-V295 HydrophobicContact CG2-CG2 4.11Å; T293-R309 PolarHBondContact OG1-O 2.67Å; T293-F313 WeakPolarHBondContact O-CE2 3.31Å
294I98.8Very high98.2Very high7 Ų747 Ų474%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-110.6113.1172.5-57.4172.7000106.5F285 P287 R296 F313 F315 L341 L342F285-I294 HydrophobicContact CD2-CG2 3.75Å; F285-I294 HydrophobicContact CE2-CD1 4.21Å; F285-I294 HydrophobicContact CE2-CG2 3.46Å; F285-I294 VanDerWaalsContact CE2-CG2 3.46Å; F285-I294 HydrophobicContact CG-CG2 4.43Å; F285-I294 HydrophobicContact CZ-CD1 4.06Å; F285-I294 HydrophobicContact CZ-CG2 3.9Å; P287-I294 HydrophobicContact CB-CG1 4.38Å; P287-I294 HydrophobicContact CG-CG1 4.31Å; P287-I294 HydrophobicContact CG-CG2 4.43Å; I294-R296 HydrophobicContact CG2-CG 4.49Å; I294-F313 HydrophobicContact CG1-CD2 3.92Å; I294-F313 HydrophobicContact CG1-CE2 4.33Å; I294-F315 HydrophobicContact CD1-CD2 4.44Å; I294-F315 HydrophobicContact CD1-CE2 3.78Å; I294-F315 HydrophobicContact CG1-CE2 4.27Å; I294-L341 HydrophobicContact CD1-CD1 4.39Å; I294-L341 HydrophobicContact CD1-CD2 3.61Å; I294-L341 HydrophobicContact CD1-CG 4.3Å; I294-L342 HydrophobicContact CD1-CD2 4.37Å; I294-L342 HydrophobicContact CG2-CD2 4.15Å
295V98.8Very high98.2Very high1 Ų148 Ų481%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-84.6124.1173179.30000108.5N286 R288 T293 E307 R309N286-V295 HydrophobicContact CB-CB 4.45Å; N286-V295 PolarHBondContact N-O 3.28Å; N286-V295 PolarHBondContact O-N 2.94Å; R288-V295 VanDerWaalsContact CZ-CG2 3.48Å; T293-V295 HydrophobicContact CG2-CG2 4.11Å; V295-E307 HydrophobicContact CG1-CB 4.07Å; V295-E307 HydrophobicContact CG1-CG 3.74Å; V295-E307 WeakPolarHBondContact CG1-OE1 3.35Å; V295-R309 HydrophobicContact CG2-CG 4.28Å
296R98.8Very high98.1Very high24 Ų2452.9 Ų52.99%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-109.3138.4165.1-45.2100.364.6158.3-2.2111.2F283 H284 I294 E308 E310 L342 E343 Y344F283-R296 HydrophobicContact CE2-CB 4.09Å; F283-R296 HydrophobicContact CE2-CG 4.08Å; H284-R296 VanDerWaalsContact O-CA 3.22Å; H284-R296 WeakPolarHBondContact O-CA 3.39Å; I294-R296 HydrophobicContact CG2-CG 4.49Å; R296-E308 HydrophobicContact CB-CB 4.33Å; R296-E308 IonicContact CZ-OE2 3.45Å; R296-E308 PolarHBondContact N-O 2.77Å; R296-E308 IonicContact NE-OE2 3.89Å; R296-E308 PolarHBondContact NE-OE2 3.11Å; R296-E308 IonicContact NH2-OE2 2.68Å; R296-E308 PolarHBondContact NH2-OE2 2.67Å; R296-E308 PolarHBondContact O-N 3.04Å; R296-E310 PolarHBondContact NH1-O 2.84Å; R296-L342 HydrophobicContact CG-CD1 4.19Å; R296-L342 HydrophobicContact CG-CD2 4.25Å; R296-E343 PolarHBondContact NH2-O 2.88Å; R296-Y344 HydrophobicContact CB-CD2 3.56Å; R296-Y344 HydrophobicContact CB-CE2 3.74Å; R296-Y344 HydrophobicContact CB-CG 4.37Å; R296-Y344 HydrophobicContact CG-CD2 4.32Å
297N98.8Very high98.1Very high4 Ų457 Ų572%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-161.6176.9178.4-150.9-18000111.7H284 W304 G305 P306 E307 Y344 R347H284-N297 VanDerWaalsContact CB-O 3.29Å; H284-N297 WeakPolarHBondContact CB-O 3.38Å; H284-N297 PolarHBondContact N-O 2.91Å; H284-N297 PolarHBondContact O-N 2.9Å; N297-W304 HydrophobicContact CB-CE3 3.79Å; N297-W304 HydrophobicContact CB-CZ3 3.96Å; N297-G305 PolarHBondContact ND2-O 2.78Å; N297-G305 WeakPolarHBondContact OD1-CA 3.14Å; N297-G305 PolarHBondContact OD1-N 3.36Å; N297-G305 PolarHBondContact OD1-O 3.06Å; N297-P306 PolarHBondContact OD1-O 3.24Å; N297-P306 VanDerWaalsContact OD1-O 3.05Å; N297-E307 WeakPolarHBondContact ND2-CG 3.45Å; N297-Y344 WeakPolarHBondContact CA-OH 3.37Å; N297-Y344 PolarHBondContact O-OH 3.06Å; N297-R347 PolarHBondContact OD1-NH1 2.9Å
298S98.9Very high98.1Very high2 Ų259.6 Ų59.61%0.01432%0.32CS..EExtended strand (participates in β ladder)trans-125.2143.9165.1-49.20000109.1V281 V282 G305 Y344 R347V281-S298 CarbonylContact O-C 3.58Å; V281-S298 WeakPolarHBondContact O-CA 3.2Å; V281-S298 WeakPolarHBondContact O-CB 3.47Å; V282-S298 PolarHBondContact O-OG 3.14Å; S298-G305 PolarHBondContact O-N 3.39Å; S298-Y344 PolarHBondContact N-OH 2.87Å; S298-Y344 PolarHBondContact OG-OH 2.81Å; S298-R347 WeakPolarHBondContact OG-CD 3.22Å
299S98.7Very high98.1Very high14 Ų1461.7 Ų61.710%0.09833%0.328CS..EExtended strand (participates in β ladder)trans-110.8105.1168.3-174.70000108.3D280 V281 Y303D280-S299 WeakPolarHBondContact CA-O 3.37Å; V281-S299 PolarHBondContact N-O 2.88Å; V281-S299 PolarHBondContact O-N 3.06Å; S299-Y303 CarbonylContact C-O 3.53Å; S299-Y303 VanDerWaalsContact CA-O 3.31Å; S299-Y303 WeakPolarHBondContact CA-O 3.35Å
300L98.3Very high98Very high60 Ų6068.9 Ų68.931%0.31436%0.362SS..EExtended strand (participates in β ladder)trans-116.5126.8-174.4-55.7-179.8000109.3D280 G302 Y303 V348D280-L300 HydrophobicContact CB-CD2 4.1Å; L300-G302 PolarHBondContact O-N 3.46Å; L300-Y303 PolarHBondContact N-O 2.92Å; L300-Y303 PolarHBondContact O-N 2.77Å; L300-Y303 VanDerWaalsContact O-N 3.16Å; L300-V348 HydrophobicContact CD1-CB 4.44Å; L300-V348 HydrophobicContact CD2-CG1 4.2Å
301G97Very high97.9Very high57 Ų5766.3 Ų66.359%0.58836%0.361SS*.THydrogen-bonded Turntrans61.325.5-174.500000113.3D280 Y303D280-G301 PolarHBondContact OD1-N 2.89Å; G301-Y303 WeakPolarHBondContact O-CD2 3.39Å; G301-Y303 WeakPolarHBondContact O-CE2 3.26Å
302G96.4Very high98Very high59 Ų5966.1 Ų66.161%0.60837%0.367SS*.THydrogen-bonded Turntrans83.16.6-177.300000115.6L300L300-G302 PolarHBondContact O-N 3.46Å
303Y98.2Very high98Very high186 Ų18661.2 Ų61.273%0.72934%0.344SS*.EExtended strand (participates in β ladder)trans-116.1129.5179-59.4-85.8000111.4S299 L300 G301S299-Y303 CarbonylContact C-O 3.53Å; S299-Y303 VanDerWaalsContact CA-O 3.31Å; S299-Y303 WeakPolarHBondContact CA-O 3.35Å; L300-Y303 PolarHBondContact N-O 2.92Å; L300-Y303 PolarHBondContact O-N 2.77Å; L300-Y303 VanDerWaalsContact O-N 3.16Å; G301-Y303 WeakPolarHBondContact O-CD2 3.39Å; G301-Y303 WeakPolarHBondContact O-CE2 3.26Å
304W98.6Very high98Very high135 Ų13562 Ų6251%0.51135%0.349SS..EExtended strand (participates in β ladder)trans-69.7132.7171-71.1105.8000111H284 N297H284-W304 HydrophobicContact CB-CH2 3.73Å; H284-W304 HydrophobicContact CB-CZ3 3.55Å; H284-W304 AromaticContact CD2-CH2 3.7Å; H284-W304 AromaticContact CD2-CZ3 3.77Å; H284-W304 AromaticContact CE1-CH2 3.99Å; H284-W304 AromaticContact CG-CH2 3.48Å; H284-W304 VanDerWaalsContact CG-CH2 3.48Å; H284-W304 AromaticContact CG-CZ3 3.67Å; H284-W304 AromaticContact ND1-CH2 3.69Å; N297-W304 HydrophobicContact CB-CE3 3.79Å; N297-W304 HydrophobicContact CB-CZ3 3.96Å
305G98.6Very high98Very high32 Ų3262.1 Ų62.133%0.3335%0.35SS..  trans-78.6-165.4172.400000113.2N297 S298N297-G305 PolarHBondContact ND2-O 2.78Å; N297-G305 WeakPolarHBondContact OD1-CA 3.14Å; N297-G305 PolarHBondContact OD1-N 3.36Å; N297-G305 PolarHBondContact OD1-O 3.06Å; S298-G305 PolarHBondContact O-N 3.39Å
306P98.4Very high97.9Very high102 Ų10265.4 Ų65.466%0.66237%0.369SS*.  trans-64.6135.4171.8-20.533.2000111.6N297 R347N297-P306 PolarHBondContact OD1-O 3.24Å; N297-P306 VanDerWaalsContact OD1-O 3.05Å; P306-R347 VanDerWaalsContact O-CZ 3.3Å; P306-R347 PolarHBondContact O-NH1 2.73Å; P306-R347 PolarHBondContact O-NH2 3.23Å
307E98.7Very high97.9Very high90 Ų9068 Ų6842%0.42138%0.383SS..  trans-78.7140.4176.1-67.5178.9142.400111.6R288 V295 N297 R309R288-E307 IonicContact NH2-OE1 3.7Å; R288-E307 PolarHBondContact NH2-OE1 3.38Å; V295-E307 HydrophobicContact CG1-CB 4.07Å; V295-E307 HydrophobicContact CG1-CG 3.74Å; V295-E307 WeakPolarHBondContact CG1-OE1 3.35Å; N297-E307 WeakPolarHBondContact ND2-CG 3.45Å; E307-R309 HydrophobicContact CB-CG 4.25Å; E307-R309 VanDerWaalsContact CD-NH2 3.32Å; E307-R309 IonicContact OE1-NH2 3.39Å; E307-R309 PolarHBondContact OE1-NH2 3.3Å; E307-R309 IonicContact OE2-CZ 2.76Å; E307-R309 IonicContact OE2-NE 3.7Å; E307-R309 PolarHBondContact OE2-NE 2.89Å; E307-R309 IonicContact OE2-NH2 2.67Å; E307-R309 PolarHBondContact OE2-NH2 2.73Å
308E98.7Very high97.8Very high55 Ų5569.6 Ų69.626%0.25740%0.399SS..BIsolated β-bridgetrans-107.2127.1165.7-69.1164.9-135.300108.6R296 Y344 R347R296-E308 HydrophobicContact CB-CB 4.33Å; R296-E308 IonicContact CZ-OE2 3.45Å; R296-E308 PolarHBondContact N-O 2.77Å; R296-E308 IonicContact NE-OE2 3.89Å; R296-E308 PolarHBondContact NE-OE2 3.11Å; R296-E308 IonicContact NH2-OE2 2.68Å; R296-E308 PolarHBondContact NH2-OE2 2.67Å; R296-E308 PolarHBondContact O-N 3.04Å; E308-Y344 WeakPolarHBondContact OE1-CE2 3.45Å; E308-Y344 VanDerWaalsContact OE2-CD2 3.28Å; E308-Y344 WeakPolarHBondContact OE2-CD2 3.31Å; E308-R347 IonicContact OE1-CZ 2.7Å; E308-R347 IonicContact OE1-NE 3.74Å; E308-R347 IonicContact OE1-NH2 3.88Å; E308-R347 PolarHBondContact OE1-NH2 2.79Å
309R98.4Very high97.8Very high90 Ų9075.1 Ų75.134%0.3442%0.42SS..  trans-129.6-6.1-168.1-67.4172.3163.3-96.22.6114E291 T293 V295 E307E291-R309 IonicContact OE2-CZ 2.73Å; E291-R309 IonicContact OE2-NH1 3.09Å; E291-R309 PolarHBondContact OE2-NH1 2.7Å; E291-R309 IonicContact OE2-NH2 3.45Å; T293-R309 PolarHBondContact OG1-O 2.67Å; V295-R309 HydrophobicContact CG2-CG 4.28Å; E307-R309 HydrophobicContact CB-CG 4.25Å; E307-R309 VanDerWaalsContact CD-NH2 3.32Å; E307-R309 IonicContact OE1-NH2 3.39Å; E307-R309 PolarHBondContact OE1-NH2 3.3Å; E307-R309 IonicContact OE2-CZ 2.76Å; E307-R309 IonicContact OE2-NE 3.7Å; E307-R309 PolarHBondContact OE2-NE 2.89Å; E307-R309 IonicContact OE2-NH2 2.67Å; E307-R309 PolarHBondContact OE2-NH2 2.73Å
310E95.4Very high97.8Very high173 Ų17381.1 Ų81.181%0.80844%0.441SS*.  trans-72.9143.9-176.3-61.7-176.9-179.100111.1R296R296-E310 PolarHBondContact NH1-O 2.84Å
311G94.7Very high97.8Very high54 Ų5478.8 Ų78.856%0.55743%0.428SS*.SBendtrans127.2170.6176.800000113.3
312P96.9Very high97.9Very high84 Ų8479 Ų7955%0.54541%0.413SS..  trans-77.6165.2177.931.9-32000111.9L341P312-L341 HydrophobicContact CG-CD1 3.62Å
313F98.4Very high98Very high38 Ų3876.1 Ų76.117%0.16738%0.384CS..  trans-115.497.9175.9-169.6-91.7000110.7P287 R288 F289 Q292 T293 I294 F315P287-F313 HydrophobicContact CB-CE2 3.82Å; P287-F313 HydrophobicContact CB-CZ 4.24Å; R288-F313 WeakPolarHBondContact O-CE2 3.4Å; F289-F313 AromaticContact CD1-CE1 3.74Å; F289-F313 HydrophobicContact CD1-CE1 3.74Å; F289-F313 AromaticContact CD1-CZ 3.73Å; F289-F313 HydrophobicContact CD1-CZ 3.73Å; F289-F313 HydrophobicContact CD2-CZ 4.46Å; F289-F313 AromaticContact CE1-CE1 3.83Å; F289-F313 HydrophobicContact CE1-CE1 3.83Å; F289-F313 AromaticContact CE1-CZ 3.83Å; F289-F313 HydrophobicContact CE1-CZ 3.83Å; F289-F313 HydrophobicContact CG-CE1 4.45Å; F289-F313 HydrophobicContact CG-CZ 4.04Å; F289-F313 HydrophobicContact CZ-CZ 4.21Å; Q292-F313 HydrophobicContact CB-CB 4.36Å; Q292-F313 HydrophobicContact CB-CD1 4.37Å; Q292-F313 HydrophobicContact CB-CG 4.25Å; Q292-F313 VanDerWaalsContact O-CB 3.3Å; Q292-F313 WeakPolarHBondContact O-CB 3.49Å; T293-F313 WeakPolarHBondContact O-CE2 3.31Å; I294-F313 HydrophobicContact CG1-CD2 3.92Å; I294-F313 HydrophobicContact CG1-CE2 4.33Å; F313-F315 HydrophobicContact CD1-CB 4.44Å; F313-F315 HydrophobicContact CD2-CD2 4.49Å; F313-F315 HydrophobicContact CE1-CB 3.82Å; F313-F315 WeakPolarHBondContact CE1-O 3.42Å; F313-F315 HydrophobicContact CE2-CD2 4.18Å; F313-F315 HydrophobicContact CZ-CB 4.03Å; F313-F315 HydrophobicContact CZ-CD2 4.2Å
314P98.1Very high98Very high36 Ų3670.5 Ų70.523%0.23436%0.363CS..  trans-87.1-6.5-171.933.8-35.6000114.4R319 V336 L341P314-R319 PolarHBondContact O-NH2 2.89Å; P314-V336 HydrophobicContact CB-CB 4.44Å; P314-V336 HydrophobicContact CB-CG1 4.17Å; P314-V336 HydrophobicContact CG-CB 3.93Å; P314-V336 HydrophobicContact CG-CG1 3.94Å; P314-V336 HydrophobicContact CG-CG2 4.11Å; P314-L341 HydrophobicContact CG-CD1 4.01Å; P314-L341 HydrophobicContact CG-CD2 3.94Å
315F98.4Very high98Very high9 Ų964 Ų644%0.03934%0.339CS..  trans-81.5138.6-172.8-57.2-75.1000112.3F271 F285 P287 F289 I294 F313 F321 V336F271-F315 HydrophobicContact CE1-CD1 4.15Å; F271-F315 HydrophobicContact CE1-CE1 4.4Å; F271-F315 HydrophobicContact CE1-CG 4.23Å; F271-F315 AromaticContact CZ-CD1 3.92Å; F271-F315 HydrophobicContact CZ-CD1 3.92Å; F271-F315 AromaticContact CZ-CE1 3.71Å; F271-F315 HydrophobicContact CZ-CE1 3.71Å; F271-F315 HydrophobicContact CZ-CE2 4.32Å; F271-F315 HydrophobicContact CZ-CG 4.31Å; F271-F315 AromaticContact CZ-CZ 3.92Å; F271-F315 HydrophobicContact CZ-CZ 3.92Å; F285-F315 HydrophobicContact CE1-CE2 4.19Å; F285-F315 AromaticContact CE1-CZ 3.88Å; F285-F315 HydrophobicContact CE1-CZ 3.88Å; F285-F315 AromaticContact CZ-CE2 3.93Å; F285-F315 HydrophobicContact CZ-CE2 3.93Å; F285-F315 AromaticContact CZ-CZ 3.78Å; F285-F315 HydrophobicContact CZ-CZ 3.78Å; P287-F315 HydrophobicContact CB-CD2 3.69Å; P287-F315 HydrophobicContact CB-CE2 3.78Å; P287-F315 HydrophobicContact CB-CG 4.5Å; P287-F315 HydrophobicContact CG-CD2 3.83Å; P287-F315 HydrophobicContact CG-CE2 3.36Å; P287-F315 HydrophobicContact CG-CZ 3.94Å; F289-F315 HydrophobicContact CE1-CB 3.83Å; F289-F315 HydrophobicContact CZ-CB 3.89Å; I294-F315 HydrophobicContact CD1-CD2 4.44Å; I294-F315 HydrophobicContact CD1-CE2 3.78Å; I294-F315 HydrophobicContact CG1-CE2 4.27Å; F313-F315 HydrophobicContact CD1-CB 4.44Å; F313-F315 HydrophobicContact CD2-CD2 4.49Å; F313-F315 HydrophobicContact CE1-CB 3.82Å; F313-F315 WeakPolarHBondContact CE1-O 3.42Å; F313-F315 HydrophobicContact CE2-CD2 4.18Å; F313-F315 HydrophobicContact CZ-CB 4.03Å; F313-F315 HydrophobicContact CZ-CD2 4.2Å; F315-F321 HydrophobicContact CD1-CB 4.31Å; F315-F321 AromaticContact CD1-CD1 3.79Å; F315-F321 HydrophobicContact CD1-CD1 3.79Å; F315-F321 HydrophobicContact CD1-CD2 4.44Å; F315-F321 HydrophobicContact CD1-CE1 4.19Å; F315-F321 AromaticContact CD1-CG 3.93Å; F315-F321 HydrophobicContact CD1-CG 3.93Å; F315-F321 HydrophobicContact CE1-CB 4.32Å; F315-F321 AromaticContact CE1-CD1 3.99Å; F315-F321 HydrophobicContact CE1-CD1 3.99Å; F315-F321 AromaticContact CE1-CD2 3.84Å; F315-F321 HydrophobicContact CE1-CD2 3.84Å; F315-F321 HydrophobicContact CE1-CE1 4.24Å; F315-F321 HydrophobicContact CE1-CE2 4.11Å; F315-F321 AromaticContact CE1-CG 3.78Å; F315-F321 HydrophobicContact CE1-CG 3.78Å; F315-F321 HydrophobicContact CE1-CZ 4.3Å; F315-V336 HydrophobicContact CE1-CG1 4.19Å; F315-V336 HydrophobicContact CE1-CG2 4.08Å; F315-V336 HydrophobicContact CZ-CG2 3.77Å
316V98.1Very high98Very high69 Ų6964.2 Ų64.242%0.41833%0.332SS..  trans-127.1128.5176.2-179.70000108.3G318 R319V316-G318 PolarHBondContact O-N 2.84Å; V316-R319 HydrophobicContact CB-CB 3.93Å; V316-R319 HydrophobicContact CG1-CB 4.24Å; V316-R319 WeakPolarHBondContact O-CB 3.14Å; V316-R319 PolarHBondContact O-N 3.38Å; V316-R319 VanDerWaalsContact O-N 3.09Å
317Q98.2Very high98.1Very high80 Ų8059.4 Ų59.437%0.37430%0.301SS..THydrogen-bonded Turntrans-60.8135.8177.1-62.5177.8-3.300110.7A268 F289 R319A268-Q317 HydrophobicContact CB-CG 4.35Å; A268-Q317 PolarHBondContact O-NE2 2.9Å; F289-Q317 HydrophobicContact CD1-CG 3.61Å; F289-Q317 HydrophobicContact CE1-CG 3.74Å; F289-Q317 HydrophobicContact CG-CG 4.22Å; F289-Q317 HydrophobicContact CZ-CG 4.44Å; Q317-R319 PolarHBondContact O-N 2.81Å
318G97.6Very high98Very high36 Ų3657.6 Ų57.637%0.37129%0.293SS..THydrogen-bonded Turntrans72.19-174.700000114.6P264 V316P264-G318 PolarHBondContact O-N 3.45Å; V316-G318 PolarHBondContact O-N 2.84Å
319R98.1Very high98Very high118 Ų11862.9 Ų62.945%0.44532%0.317SS..  trans-115.5132175.5-162.6-179.875.7-166.7-0.2110.5P264 P314 V316 Q317P264-R319 VanDerWaalsContact CD-O 3.23Å; P264-R319 WeakPolarHBondContact CD-O 3.47Å; P314-R319 PolarHBondContact O-NH2 2.89Å; V316-R319 HydrophobicContact CB-CB 3.93Å; V316-R319 HydrophobicContact CG1-CB 4.24Å; V316-R319 WeakPolarHBondContact O-CB 3.14Å; V316-R319 PolarHBondContact O-N 3.38Å; V316-R319 VanDerWaalsContact O-N 3.09Å; Q317-R319 PolarHBondContact O-N 2.81Å
320R98.1Very high97.9Very high141 Ų14163 Ų6353%0.53233%0.325SS..  trans-63.2146.5171.7-72.5-179.4-176.2-172.2-0.2111.2G262 E263 Y366G262-R320 CarbonylContact O-C 3.59Å; G262-R320 VanDerWaalsContact O-CA 3.26Å; G262-R320 WeakPolarHBondContact O-CA 3.35Å; E263-R320 HydrophobicContact CB-CG 3.97Å; E263-R320 HydrophobicContact CG-CG 4.31Å; E263-R320 WeakPolarHBondContact OE2-CG 3.33Å; E263-R320 IonicContact OE2-NE 2.67Å; R320-Y366 HydrophobicContact CG-CE2 4Å; R320-Y366 PolarHBondContact NE-OH 3.1Å; R320-Y366 PolarHBondContact NH2-OH 3.5Å; R320-Y366 VanDerWaalsContact NH2-OH 3.08Å
321F98.6Very high98.1Very high10 Ų1055.9 Ų55.94%0.04429%0.292CS..EExtended strand (participates in β ladder)trans-131153170.166-94.9000110.3I261 G262 P264 F271 F315 L323 V336 D337 V363I261-F321 WeakPolarHBondContact CA-O 3.31Å; G262-F321 VanDerWaalsContact C-CE1 3.45Å; G262-F321 PolarHBondContact N-O 2.76Å; G262-F321 WeakPolarHBondContact O-CD1 3.41Å; G262-F321 PolarHBondContact O-N 2.82Å; P264-F321 HydrophobicContact CG-CD1 4.15Å; P264-F321 HydrophobicContact CG-CE1 3.99Å; F271-F321 HydrophobicContact CE1-CE1 4.3Å; F271-F321 HydrophobicContact CE1-CZ 4.5Å; F271-F321 HydrophobicContact CE2-CE1 4.42Å; F271-F321 AromaticContact CE2-CZ 3.84Å; F271-F321 HydrophobicContact CE2-CZ 3.84Å; F271-F321 AromaticContact CZ-CE1 3.88Å; F271-F321 HydrophobicContact CZ-CE1 3.88Å; F271-F321 HydrophobicContact CZ-CE2 4.46Å; F271-F321 AromaticContact CZ-CZ 3.69Å; F271-F321 HydrophobicContact CZ-CZ 3.69Å; F315-F321 HydrophobicContact CD1-CB 4.31Å; F315-F321 AromaticContact CD1-CD1 3.79Å; F315-F321 HydrophobicContact CD1-CD1 3.79Å; F315-F321 HydrophobicContact CD1-CD2 4.44Å; F315-F321 HydrophobicContact CD1-CE1 4.19Å; F315-F321 AromaticContact CD1-CG 3.93Å; F315-F321 HydrophobicContact CD1-CG 3.93Å; F315-F321 HydrophobicContact CE1-CB 4.32Å; F315-F321 AromaticContact CE1-CD1 3.99Å; F315-F321 HydrophobicContact CE1-CD1 3.99Å; F315-F321 AromaticContact CE1-CD2 3.84Å; F315-F321 HydrophobicContact CE1-CD2 3.84Å; F315-F321 HydrophobicContact CE1-CE1 4.24Å; F315-F321 HydrophobicContact CE1-CE2 4.11Å; F315-F321 AromaticContact CE1-CG 3.78Å; F315-F321 HydrophobicContact CE1-CG 3.78Å; F315-F321 HydrophobicContact CE1-CZ 4.3Å; F321-L323 HydrophobicContact CD2-CB 3.73Å; F321-L323 HydrophobicContact CE2-CB 3.59Å; F321-L323 HydrophobicContact CE2-CD2 4.41Å; F321-V336 HydrophobicContact CB-CG1 4.18Å; F321-D337 WeakPolarHBondContact CA-OD1 3.46Å; F321-V363 HydrophobicContact CE1-CG2 4.14Å; F321-V363 HydrophobicContact CZ-CG2 4.29Å
322E98.8Very high98.3Very high61 Ų6153.4 Ų53.429%0.28527%0.266SS..EExtended strand (participates in β ladder)trans-104114.8160.9178.1-179.68800109.2T259 I261 K324 V336 D337T259-E322 HydrophobicContact CG2-CG 3.91Å; I261-E322 HydrophobicContact CD1-CB 3.6Å; I261-E322 HydrophobicContact CD1-CG 3.58Å; E322-K324 HydrophobicContact CG-CG 4.38Å; E322-K324 WeakPolarHBondContact OE1-CE 3.24Å; E322-K324 IonicContact OE1-NZ 3.49Å; E322-K324 PolarHBondContact OE1-NZ 3.17Å; E322-K324 IonicContact OE2-NZ 3.3Å; E322-V336 CarbonylContact O-C 3.53Å; E322-V336 VanDerWaalsContact O-CA 3.26Å; E322-V336 WeakPolarHBondContact O-CA 3.43Å; E322-D337 PolarHBondContact N-OD1 3.22Å; E322-D337 PolarHBondContact O-N 2.89Å
323L98.9Very high98.3Very high0 Ų052.2 Ų52.20%025%0.252CS..EExtended strand (participates in β ladder)trans-101.2125.8173.8171.367.2000109T259 V260 V273 F285 F321 I325 V334 V336T259-L323 CarbonylContact C-O 3.46Å; T259-L323 WeakPolarHBondContact CA-O 3.17Å; V260-L323 HydrophobicContact CB-CB 4.23Å; V260-L323 HydrophobicContact CB-CD2 4.43Å; V260-L323 PolarHBondContact N-O 2.69Å; V260-L323 PolarHBondContact O-N 3.36Å; V273-L323 HydrophobicContact CG2-CD2 3.94Å; F285-L323 HydrophobicContact CD1-CD2 4.27Å; F285-L323 HydrophobicContact CE1-CD1 4.22Å; F285-L323 HydrophobicContact CE1-CD2 4.04Å; F285-L323 HydrophobicContact CZ-CD1 4.12Å; F321-L323 HydrophobicContact CD2-CB 3.73Å; F321-L323 HydrophobicContact CE2-CB 3.59Å; F321-L323 HydrophobicContact CE2-CD2 4.41Å; L323-I325 HydrophobicContact CD1-CG1 4.24Å; L323-I325 HydrophobicContact CD2-CD1 4.19Å; L323-I325 HydrophobicContact CD2-CG1 4.49Å; L323-I325 HydrophobicContact CG-CD1 4.38Å; L323-I325 HydrophobicContact CG-CG1 4.14Å; L323-V334 HydrophobicContact CD1-CG1 3.46Å; L323-V334 VanDerWaalsContact CD1-CG1 3.46Å; L323-V336 HydrophobicContact CD1-CG2 3.83Å
324K98.9Very high98.4Very high67 Ų6750.4 Ų50.429%0.29124%0.244SC..EExtended strand (participates in β ladder)trans-117.2126.6175.6-83.2171.7172.6154.80109.4L257 V258 T259 E322 V334 A335L257-K324 HydrophobicContact CD1-CB 3.95Å; L257-K324 HydrophobicContact CD1-CG 4.11Å; V258-K324 WeakPolarHBondContact O-CA 3.42Å; T259-K324 HydrophobicContact CG2-CG 4.22Å; E322-K324 HydrophobicContact CG-CG 4.38Å; E322-K324 WeakPolarHBondContact OE1-CE 3.24Å; E322-K324 IonicContact OE1-NZ 3.49Å; E322-K324 PolarHBondContact OE1-NZ 3.17Å; E322-K324 IonicContact OE2-NZ 3.3Å; K324-V334 CarbonylContact O-C 3.31Å; K324-V334 WeakPolarHBondContact O-CA 3.3Å; K324-A335 HydrophobicContact CB-CB 4.35Å; K324-A335 PolarHBondContact N-O 2.89Å; K324-A335 PolarHBondContact O-N 2.84Å
325I98.9Very high98.4Very high0 Ų049.8 Ų49.80%024%0.241CC..EExtended strand (participates in β ladder)trans-121.7108.6176.1-53.9177.7000107.3V258 V273 F275 F283 L323 F332 K333 V334V258-I325 PolarHBondContact N-O 3.36Å; V258-I325 PolarHBondContact O-N 3.48Å; V273-I325 HydrophobicContact CG1-CD1 4.1Å; F275-I325 HydrophobicContact CE2-CD1 3.81Å; F275-I325 HydrophobicContact CE2-CG2 3.94Å; F275-I325 HydrophobicContact CZ-CB 4.37Å; F275-I325 HydrophobicContact CZ-CD1 4.33Å; F275-I325 HydrophobicContact CZ-CG2 3.88Å; F283-I325 HydrophobicContact CE1-CD1 4.3Å; F283-I325 HydrophobicContact CE1-CG2 4.09Å; L323-I325 HydrophobicContact CD1-CG1 4.24Å; L323-I325 HydrophobicContact CD2-CD1 4.19Å; L323-I325 HydrophobicContact CD2-CG1 4.49Å; L323-I325 HydrophobicContact CG-CD1 4.38Å; L323-I325 HydrophobicContact CG-CG1 4.14Å; I325-F332 HydrophobicContact CG2-CB 4.3Å; I325-F332 HydrophobicContact CG2-CD1 3.86Å; I325-K333 WeakPolarHBondContact CA-O 3.16Å; I325-V334 HydrophobicContact CG1-CG2 4.31Å; I325-V334 HydrophobicContact CG2-CG2 4.42Å
326L98.8Very high98.4Very high36 Ų3649.6 Ų49.619%0.18824%0.241CC..EExtended strand (participates in β ladder)trans-94.7129.1175.5175.562.9000109.1L257 E328 F332 K333 I373L257-L326 HydrophobicContact CB-CD1 4.45Å; L257-L326 HydrophobicContact CD1-CB 4.27Å; L326-E328 HydrophobicContact CD2-CG 4.18Å; L326-E328 HydrophobicContact CG-CG 4.18Å; L326-F332 CarbonylContact O-C 3.51Å; L326-F332 WeakPolarHBondContact O-CA 3.47Å; L326-K333 HydrophobicContact CB-CB 4.33Å; L326-K333 PolarHBondContact N-O 3.1Å; L326-K333 PolarHBondContact O-N 3.04Å; L326-I373 HydrophobicContact CD1-CD1 3.7Å; L326-I373 HydrophobicContact CD1-CG1 4.16Å; L326-I373 HydrophobicContact CD2-CD1 4.41Å
327V98.7Very high98.4Very high0 Ų049.9 Ų49.90%024%0.241CC..EExtended strand (participates in β ladder)trans-87.7121170.9-175.90000108.3I252 P254 R255 L256 F332 L351I252-V327 HydrophobicContact CB-CG2 4.23Å; I252-V327 HydrophobicContact CD1-CG1 4.24Å; I252-V327 HydrophobicContact CD1-CG2 4.13Å; I252-V327 HydrophobicContact CG1-CG1 4.26Å; I252-V327 HydrophobicContact CG1-CG2 4.5Å; P254-V327 CarbonylContact C-O 3.55Å; P254-V327 WeakPolarHBondContact CA-O 3.44Å; R255-V327 PolarHBondContact N-O 3.02Å; L256-V327 HydrophobicContact CB-CB 4.2Å; L256-V327 HydrophobicContact CB-CG2 4.12Å; L256-V327 HydrophobicContact CD2-CG2 4.3Å; L256-V327 PolarHBondContact O-N 3.15Å; V327-F332 HydrophobicContact CG2-CD1 4.07Å; V327-F332 HydrophobicContact CG2-CE1 3.96Å; V327-L351 HydrophobicContact CG1-CD1 4.42Å
328E98.4Very high98.3Very high53 Ų5349 Ų4925%0.24825%0.253CS..  trans-108.2179.6168.5-65.5-163.2169.900110.4L326 D330 M331 K333 H346L326-E328 HydrophobicContact CD2-CG 4.18Å; L326-E328 HydrophobicContact CG-CG 4.18Å; E328-D330 VanDerWaalsContact C-N 3.31Å; E328-D330 PolarHBondContact O-N 2.95Å; E328-M331 WeakPolarHBondContact CA-O 3.32Å; E328-M331 HydrophobicContact CB-CG 4.26Å; E328-M331 PolarHBondContact N-O 2.85Å; E328-K333 HydrophobicContact CG-CD 4.44Å; E328-K333 HydrophobicContact CG-CG 4.46Å; E328-K333 WeakPolarHBondContact OE1-CD 3.17Å; E328-K333 WeakPolarHBondContact OE1-CE 3.35Å; E328-K333 IonicContact OE1-NZ 2.8Å; E328-K333 PolarHBondContact OE1-NZ 3.45Å; E328-K333 WeakPolarHBondContact OE2-CE 3.45Å; E328-K333 IonicContact OE2-NZ 2.71Å; E328-K333 PolarHBondContact OE2-NZ 2.97Å; E328-H346 PolarHBondContact O-NE2 2.93Å
329E96.9Very high98.3Very high166 Ų16652.1 Ų52.178%0.77627%0.265SS*.SBendtrans-63.2-37-175.6-65.8-172.7174.100112.9P254 H346P254-E329 HydrophobicContact CB-CG 4.12Å; P254-E329 HydrophobicContact CG-CG 3.86Å; E329-H346 PolarHBondContact O-CD2 2.78Å
330D97.6Very high98.4Very high93 Ų9351.7 Ų51.750%0.49727%0.268SS..SBendtrans-117.2-13.8-172.359-17.5000113.8E328 H346E328-D330 VanDerWaalsContact C-N 3.31Å; E328-D330 PolarHBondContact O-N 2.95Å; D330-H346 PolarHBondContact O-CD2 2.67Å; D330-H346 PolarHBondContact O-N 2.72Å
331M98.5Very high98.4Very high23 Ų2345.8 Ų45.811%0.11325%0.247CC..EExtended strand (participates in β ladder)trans-151.9170.5-175.967.1-17875.700114.9E328 K333 E343 Y344 H346E328-M331 WeakPolarHBondContact CA-O 3.32Å; E328-M331 HydrophobicContact CB-CG 4.26Å; E328-M331 PolarHBondContact N-O 2.85Å; M331-K333 HydrophobicContact CG-CG 4.22Å; M331-K333 HydrophobicContact SD-CG 4.06Å; M331-E343 HydrophobicContact SD-CB 3.81Å; M331-E343 VanDerWaalsContact SD-CD 3.57Å; M331-E343 HydrophobicContact SD-CG 3.97Å; M331-Y344 CarbonylContact C-O 3.54Å; M331-Y344 VanDerWaalsContact CA-O 3.27Å; M331-Y344 WeakPolarHBondContact CA-O 3.42Å; M331-Y344 WeakPolarHBondContact CB-O 3.43Å; M331-H346 VanDerWaalsContact C-CE1 3.41Å; M331-H346 PolarHBondContact N-CD2 3.16Å; M331-H346 VanDerWaalsContact N-CD2 3.26Å; M331-H346 PolarHBondContact N-NE2 3.3Å; M331-H346 PolarHBondContact O-CE1 2.97Å; M331-H346 PolarHBondContact O-NE2 2.78Å
332F98.8Very high98.4Very high2 Ų245.9 Ų45.91%0.00925%0.247CC..EExtended strand (participates in β ladder)trans-95.8132.1158.7-60.9-91.8000109.8I252 F275 F283 I325 L326 V327 E343 Y344 H346I252-F332 HydrophobicContact CD1-CE1 3.62Å; I252-F332 HydrophobicContact CD1-CZ 3.62Å; F275-F332 HydrophobicContact CD1-CE1 4.17Å; F275-F332 HydrophobicContact CD2-CE1 4.31Å; F275-F332 HydrophobicContact CE1-CE1 4.14Å; F275-F332 HydrophobicContact CE2-CE1 4.28Å; F275-F332 HydrophobicContact CG-CE1 4.24Å; F275-F332 HydrophobicContact CG-CZ 4.48Å; F275-F332 HydrophobicContact CZ-CE1 4.18Å; F283-F332 HydrophobicContact CB-CD2 4.01Å; F283-F332 HydrophobicContact CB-CE2 3.6Å; F283-F332 HydrophobicContact CB-CZ 3.88Å; F283-F332 HydrophobicContact CD1-CB 4.16Å; F283-F332 AromaticContact CD1-CD1 3.82Å; F283-F332 HydrophobicContact CD1-CD1 3.82Å; F283-F332 AromaticContact CD1-CD2 3.89Å; F283-F332 HydrophobicContact CD1-CD2 3.89Å; F283-F332 HydrophobicContact CD1-CE1 4.11Å; F283-F332 HydrophobicContact CD1-CE2 4.18Å; F283-F332 AromaticContact CD1-CG 3.69Å; F283-F332 HydrophobicContact CD1-CG 3.69Å; F283-F332 HydrophobicContact CD1-CZ 4.28Å; F283-F332 HydrophobicContact CE1-CB 4.01Å; F283-F332 HydrophobicContact CE1-CD1 4.3Å; F283-F332 HydrophobicContact CE1-CG 4.05Å; F283-F332 AromaticContact CG-CD2 3.96Å; F283-F332 HydrophobicContact CG-CD2 3.96Å; F283-F332 HydrophobicContact CG-CE2 4.06Å; F283-F332 HydrophobicContact CG-CG 4.24Å; F283-F332 HydrophobicContact CG-CZ 4.45Å; I325-F332 HydrophobicContact CG2-CB 4.3Å; I325-F332 HydrophobicContact CG2-CD1 3.86Å; L326-F332 CarbonylContact O-C 3.51Å; L326-F332 WeakPolarHBondContact O-CA 3.47Å; V327-F332 HydrophobicContact CG2-CD1 4.07Å; V327-F332 HydrophobicContact CG2-CE1 3.96Å; F332-E343 CarbonylContact O-C 3.56Å; F332-E343 VanDerWaalsContact O-CA 3.31Å; F332-E343 WeakPolarHBondContact O-CA 3.49Å; F332-Y344 HydrophobicContact CD2-CD1 4.03Å; F332-Y344 PolarHBondContact N-O 3.09Å; F332-Y344 PolarHBondContact O-N 2.88Å; F332-H346 AromaticContact CD2-CE1 3.48Å; F332-H346 VanDerWaalsContact CD2-CE1 3.48Å; F332-H346 WeakPolarHBondContact CD2-CE1 3.31Å; F332-H346 AromaticContact CD2-ND1 3.45Å; F332-H346 WeakPolarHBondContact CD2-ND1 3.39Å; F332-H346 AromaticContact CE2-CE1 3.33Å; F332-H346 WeakPolarHBondContact CE2-CE1 3.45Å; F332-H346 AromaticContact CE2-ND1 3.09Å; F332-H346 WeakPolarHBondContact CE2-ND1 3.47Å; F332-H346 AromaticContact CZ-CE1 3.72Å; F332-H346 AromaticContact CZ-ND1 3.81Å
333K98.8Very high98.4Very high58 Ų5847 Ų4725%0.25225%0.253SS..EExtended strand (participates in β ladder)trans-104.7130.5167.9-65-167.3175.9154.10110.4I325 L326 E328 M331 E343I325-K333 WeakPolarHBondContact CA-O 3.16Å; L326-K333 HydrophobicContact CB-CB 4.33Å; L326-K333 PolarHBondContact N-O 3.1Å; L326-K333 PolarHBondContact O-N 3.04Å; E328-K333 HydrophobicContact CG-CD 4.44Å; E328-K333 HydrophobicContact CG-CG 4.46Å; E328-K333 WeakPolarHBondContact OE1-CD 3.17Å; E328-K333 WeakPolarHBondContact OE1-CE 3.35Å; E328-K333 IonicContact OE1-NZ 2.8Å; E328-K333 PolarHBondContact OE1-NZ 3.45Å; E328-K333 WeakPolarHBondContact OE2-CE 3.45Å; E328-K333 IonicContact OE2-NZ 2.71Å; E328-K333 PolarHBondContact OE2-NZ 2.97Å; M331-K333 HydrophobicContact CG-CG 4.22Å; M331-K333 HydrophobicContact SD-CG 4.06Å; K333-E343 WeakPolarHBondContact CE-OE1 3.43Å; K333-E343 HydrophobicContact CG-CG 4.16Å
334V98.9Very high98.4Very high1 Ų147.1 Ų47.11%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-116.9134-176.1-176.10000110.3F283 F285 L323 K324 I325 L341 L342F283-V334 HydrophobicContact CE1-CG2 4.23Å; F283-V334 HydrophobicContact CZ-CG2 4.01Å; F285-V334 HydrophobicContact CE2-CG1 3.92Å; F285-V334 HydrophobicContact CZ-CG1 4.36Å; L323-V334 HydrophobicContact CD1-CG1 3.46Å; L323-V334 VanDerWaalsContact CD1-CG1 3.46Å; K324-V334 CarbonylContact O-C 3.31Å; K324-V334 WeakPolarHBondContact O-CA 3.3Å; I325-V334 HydrophobicContact CG1-CG2 4.31Å; I325-V334 HydrophobicContact CG2-CG2 4.42Å; V334-L341 HydrophobicContact CG1-CD2 4.33Å; V334-L341 WeakPolarHBondContact O-CB 3.29Å; V334-L341 PolarHBondContact O-N 3.46Å; V334-L342 HydrophobicContact CB-CD1 3.82Å; V334-L342 HydrophobicContact CB-CG 4Å; V334-L342 HydrophobicContact CG2-CD1 3.63Å; V334-L342 HydrophobicContact CG2-CG 4.36Å; V334-L342 PolarHBondContact N-O 2.85Å; V334-L342 PolarHBondContact O-N 2.82Å
335A98.8Very high98.4Very high22 Ų2250.8 Ų50.818%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-130.1146.1172.100000110.4K324 T339K324-A335 HydrophobicContact CB-CB 4.35Å; K324-A335 PolarHBondContact N-O 2.89Å; K324-A335 PolarHBondContact O-N 2.84Å; A335-T339 CarbonylContact C-O 3.6Å; A335-T339 WeakPolarHBondContact CA-O 3.35Å; A335-T339 VanDerWaalsContact CB-O 3.32Å; A335-T339 WeakPolarHBondContact CB-O 3.18Å
336V98.8Very high98.3Very high5 Ų552.7 Ų52.73%0.0328%0.28CS..EExtended strand (participates in β ladder)trans-125.7130.8173.51760000109P314 F315 F321 E322 L323 G338 T339 L341P314-V336 HydrophobicContact CB-CB 4.44Å; P314-V336 HydrophobicContact CB-CG1 4.17Å; P314-V336 HydrophobicContact CG-CB 3.93Å; P314-V336 HydrophobicContact CG-CG1 3.94Å; P314-V336 HydrophobicContact CG-CG2 4.11Å; F315-V336 HydrophobicContact CE1-CG1 4.19Å; F315-V336 HydrophobicContact CE1-CG2 4.08Å; F315-V336 HydrophobicContact CZ-CG2 3.77Å; F321-V336 HydrophobicContact CB-CG1 4.18Å; E322-V336 CarbonylContact O-C 3.53Å; E322-V336 VanDerWaalsContact O-CA 3.26Å; E322-V336 WeakPolarHBondContact O-CA 3.43Å; L323-V336 HydrophobicContact CD1-CG2 3.83Å; V336-G338 PolarHBondContact O-N 2.83Å; V336-T339 PolarHBondContact N-O 3.43Å; V336-T339 PolarHBondContact O-N 2.82Å; V336-L341 HydrophobicContact CB-CD2 4.38Å; V336-L341 HydrophobicContact CG2-CD2 3.61Å
337D98.2Very high98.3Very high76 Ų7654.8 Ų54.841%0.40629%0.286SS..THydrogen-bonded Turntrans50.442.7179.8-60.8-30.4000112.7F321 E322 T339F321-D337 WeakPolarHBondContact CA-OD1 3.46Å; E322-D337 PolarHBondContact N-OD1 3.22Å; E322-D337 PolarHBondContact O-N 2.89Å; D337-T339 PolarHBondContact O-N 2.86Å
338G96.1Very high98.2Very high62 Ų6257.1 Ų57.164%0.63930%0.3SS*.THydrogen-bonded Turntrans77.3-0.3179.100000115.5V336V336-G338 PolarHBondContact O-N 2.83Å
339T98.1Very high98.1Very high100 Ų10057 Ų5761%0.61331%0.313SS*.EExtended strand (participates in β ladder)trans-105.7130.6179-55.10000110.3A335 V336 D337 L341A335-T339 CarbonylContact C-O 3.6Å; A335-T339 WeakPolarHBondContact CA-O 3.35Å; A335-T339 VanDerWaalsContact CB-O 3.32Å; A335-T339 WeakPolarHBondContact CB-O 3.18Å; V336-T339 PolarHBondContact N-O 3.43Å; V336-T339 PolarHBondContact O-N 2.82Å; D337-T339 PolarHBondContact O-N 2.86Å; T339-L341 PolarHBondContact O-N 3.34Å
340H98.4Very high98Very high109 Ų10950 Ų5051%0.50529%0.285SS..EExtended strand (participates in β ladder)trans-58.7135.9172.6177.781000110.4L342 E343H340-L342 PolarHBondContact CE1-O 3.46Å; H340-E343 IonicContact CE1-OE1 3.13Å
341L98.4Very high97.9Very high18 Ų1846.8 Ų46.89%0.09427%0.267CS..EExtended strand (participates in β ladder)trans-116.7-53.3-172.4178.959.5000112.3F285 I294 P312 P314 V334 V336 T339F285-L341 HydrophobicContact CE2-CD2 4.44Å; F285-L341 HydrophobicContact CZ-CD2 4.36Å; I294-L341 HydrophobicContact CD1-CD1 4.39Å; I294-L341 HydrophobicContact CD1-CD2 3.61Å; I294-L341 HydrophobicContact CD1-CG 4.3Å; P312-L341 HydrophobicContact CG-CD1 3.62Å; P314-L341 HydrophobicContact CG-CD1 4.01Å; P314-L341 HydrophobicContact CG-CD2 3.94Å; V334-L341 HydrophobicContact CG1-CD2 4.33Å; V334-L341 WeakPolarHBondContact O-CB 3.29Å; V334-L341 PolarHBondContact O-N 3.46Å; V336-L341 HydrophobicContact CB-CD2 4.38Å; V336-L341 HydrophobicContact CG2-CD2 3.61Å; T339-L341 PolarHBondContact O-N 3.34Å
342L98.6Very high97.7Very high11 Ų1151.5 Ų51.56%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-163167.5-17660.985.1000112F285 I294 R296 V334 H340F285-L342 HydrophobicContact CE2-CD2 4.07Å; I294-L342 HydrophobicContact CD1-CD2 4.37Å; I294-L342 HydrophobicContact CG2-CD2 4.15Å; R296-L342 HydrophobicContact CG-CD1 4.19Å; R296-L342 HydrophobicContact CG-CD2 4.25Å; V334-L342 HydrophobicContact CB-CD1 3.82Å; V334-L342 HydrophobicContact CB-CG 4Å; V334-L342 HydrophobicContact CG2-CD1 3.63Å; V334-L342 HydrophobicContact CG2-CG 4.36Å; V334-L342 PolarHBondContact N-O 2.85Å; V334-L342 PolarHBondContact O-N 2.82Å; H340-L342 PolarHBondContact CE1-O 3.46Å
343E98.6Very high97.7Very high86 Ų8656.4 Ų56.440%0.40231%0.312SS..EExtended strand (participates in β ladder)trans-123149.6172.3-57.5-175.5159.700109.1R296 M331 F332 K333 H340R296-E343 PolarHBondContact NH2-O 2.88Å; M331-E343 HydrophobicContact SD-CB 3.81Å; M331-E343 VanDerWaalsContact SD-CD 3.57Å; M331-E343 HydrophobicContact SD-CG 3.97Å; F332-E343 CarbonylContact O-C 3.56Å; F332-E343 VanDerWaalsContact O-CA 3.31Å; F332-E343 WeakPolarHBondContact O-CA 3.49Å; K333-E343 WeakPolarHBondContact CE-OE1 3.43Å; K333-E343 HydrophobicContact CG-CG 4.16Å; H340-E343 IonicContact CE1-OE1 3.13Å
344Y98.8Very high97.7Very high1 Ų153.7 Ų53.70%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-139.8112.2177.9-174.6-102.4000110.1F283 R296 N297 S298 E308 M331 F332 R347F283-Y344 HydrophobicContact CB-CD1 4.25Å; F283-Y344 HydrophobicContact CB-CE1 4.27Å; F283-Y344 AromaticContact CD2-CD1 3.3Å; F283-Y344 HydrophobicContact CD2-CD1 3.3Å; F283-Y344 HydrophobicContact CD2-CD2 4.4Å; F283-Y344 AromaticContact CD2-CE1 3.68Å; F283-Y344 HydrophobicContact CD2-CE1 3.68Å; F283-Y344 AromaticContact CD2-CG 3.71Å; F283-Y344 HydrophobicContact CD2-CG 3.71Å; F283-Y344 AromaticContact CE2-CD1 3.8Å; F283-Y344 HydrophobicContact CE2-CD1 3.8Å; F283-Y344 HydrophobicContact CE2-CD2 4.3Å; F283-Y344 HydrophobicContact CE2-CE1 4.48Å; F283-Y344 AromaticContact CE2-CG 3.7Å; F283-Y344 HydrophobicContact CE2-CG 3.7Å; F283-Y344 AromaticContact CG-CD1 3.93Å; F283-Y344 HydrophobicContact CG-CD1 3.93Å; F283-Y344 HydrophobicContact CG-CE1 4.33Å; R296-Y344 HydrophobicContact CB-CD2 3.56Å; R296-Y344 HydrophobicContact CB-CE2 3.74Å; R296-Y344 HydrophobicContact CB-CG 4.37Å; R296-Y344 HydrophobicContact CG-CD2 4.32Å; N297-Y344 WeakPolarHBondContact CA-OH 3.37Å; N297-Y344 PolarHBondContact O-OH 3.06Å; S298-Y344 PolarHBondContact N-OH 2.87Å; S298-Y344 PolarHBondContact OG-OH 2.81Å; E308-Y344 WeakPolarHBondContact OE1-CE2 3.45Å; E308-Y344 VanDerWaalsContact OE2-CD2 3.28Å; E308-Y344 WeakPolarHBondContact OE2-CD2 3.31Å; M331-Y344 CarbonylContact C-O 3.54Å; M331-Y344 VanDerWaalsContact CA-O 3.27Å; M331-Y344 WeakPolarHBondContact CA-O 3.42Å; M331-Y344 WeakPolarHBondContact CB-O 3.43Å; F332-Y344 HydrophobicContact CD2-CD1 4.03Å; F332-Y344 PolarHBondContact N-O 3.09Å; F332-Y344 PolarHBondContact O-N 2.88Å; Y344-R347 VanDerWaalsContact OH-CD 3.31Å; Y344-R347 WeakPolarHBondContact OH-CD 3.22Å; Y344-R347 PolarHBondContact OH-NE 2.98Å
345E98.7Very high97.6Very high145 Ų14556.5 Ų56.568%0.67832%0.318SS*.EExtended strand (participates in β ladder)trans-64.9142.5-179.1-67.1-178.6-178.200112R347E345-R347 PolarHBondContact O-N 3.26Å; E345-R347 VanDerWaalsContact O-N 3.09Å
346H98.4Very high97.6Very high39 Ų3957.1 Ų57.118%0.18132%0.319CS..  trans-66.5110.6175.1-65.9-42.5000110.1E328 E329 D330 M331 F332 V348E328-H346 PolarHBondContact O-NE2 2.93Å; E329-H346 PolarHBondContact O-CD2 2.78Å; D330-H346 PolarHBondContact O-CD2 2.67Å; D330-H346 PolarHBondContact O-N 2.72Å; M331-H346 VanDerWaalsContact C-CE1 3.41Å; M331-H346 PolarHBondContact N-CD2 3.16Å; M331-H346 VanDerWaalsContact N-CD2 3.26Å; M331-H346 PolarHBondContact N-NE2 3.3Å; M331-H346 PolarHBondContact O-CE1 2.97Å; M331-H346 PolarHBondContact O-NE2 2.78Å; F332-H346 AromaticContact CD2-CE1 3.48Å; F332-H346 VanDerWaalsContact CD2-CE1 3.48Å; F332-H346 WeakPolarHBondContact CD2-CE1 3.31Å; F332-H346 AromaticContact CD2-ND1 3.45Å; F332-H346 WeakPolarHBondContact CD2-ND1 3.39Å; F332-H346 AromaticContact CE2-CE1 3.33Å; F332-H346 WeakPolarHBondContact CE2-CE1 3.45Å; F332-H346 AromaticContact CE2-ND1 3.09Å; F332-H346 WeakPolarHBondContact CE2-ND1 3.47Å; F332-H346 AromaticContact CZ-CE1 3.72Å; F332-H346 AromaticContact CZ-ND1 3.81Å; H346-V348 VanDerWaalsContact C-N 3.3Å; H346-V348 PolarHBondContact O-N 2.76Å
347R98.2Very high97.6Very high81 Ų8156.9 Ų56.931%0.30632%0.318SS..SBendtrans-77.9-15.1177.2-62.6-166.6179.5169.92.7113.9N297 S298 P306 E308 Y344 E345N297-R347 PolarHBondContact OD1-NH1 2.9Å; S298-R347 WeakPolarHBondContact OG-CD 3.22Å; P306-R347 VanDerWaalsContact O-CZ 3.3Å; P306-R347 PolarHBondContact O-NH1 2.73Å; P306-R347 PolarHBondContact O-NH2 3.23Å; E308-R347 IonicContact OE1-CZ 2.7Å; E308-R347 IonicContact OE1-NE 3.74Å; E308-R347 IonicContact OE1-NH2 3.88Å; E308-R347 PolarHBondContact OE1-NH2 2.79Å; Y344-R347 VanDerWaalsContact OH-CD 3.31Å; Y344-R347 WeakPolarHBondContact OH-CD 3.22Å; Y344-R347 PolarHBondContact OH-NE 2.98Å; E345-R347 PolarHBondContact O-N 3.26Å; E345-R347 VanDerWaalsContact O-N 3.09Å
348V96.3Very high97.7Very high49 Ų4957.5 Ų57.530%0.29731%0.314SS..SBendtrans-146.2145.7-178.966.50000110.2V282 L300 H346V282-V348 HydrophobicContact CB-CG1 4.04Å; V282-V348 HydrophobicContact CG1-CG1 3.58Å; L300-V348 HydrophobicContact CD1-CB 4.44Å; L300-V348 HydrophobicContact CD2-CG1 4.2Å; H346-V348 VanDerWaalsContact C-N 3.3Å; H346-V348 PolarHBondContact O-N 2.76Å
349G95.6Very high97.8Very high50 Ų5054.6 Ų54.652%0.51529%0.285SS..  trans-82.4-167.7172.500000113.4K277K277-G349 PolarHBondContact NZ-O 2.93Å
350G94.9Very high97.8Very high19 Ų1951.2 Ų51.220%0.19626%0.264CS..  trans6950-176.800000111.3E352 E353G350-E352 VanDerWaalsContact C-OE2 3.24Å; G350-E352 VanDerWaalsContact CA-OE2 3.3Å; G350-E352 WeakPolarHBondContact CA-OE2 3.46Å; G350-E352 PolarHBondContact O-N 2.89Å; G350-E353 WeakPolarHBondContact O-CB 3.09Å; G350-E353 PolarHBondContact O-N 3.47Å; G350-E353 VanDerWaalsContact O-N 3.1Å
351L95.1Very high97.8Very high25 Ų2547.8 Ų47.813%0.13126%0.258CS..G310 helixtrans-64.1-28.5-179.6-64.8-173.5000111.4I252 V327 E353 V354I252-L351 HydrophobicContact CD1-CD2 4.18Å; I252-L351 HydrophobicContact CG1-CB 3.75Å; I252-L351 HydrophobicContact CG1-CD2 4.35Å; I252-L351 HydrophobicContact CG1-CG 4.45Å; I252-L351 WeakPolarHBondContact CG1-O 3.39Å; I252-L351 PolarHBondContact N-O 3.05Å; I252-L351 CarbonylContact O-C 3.57Å; I252-L351 VanDerWaalsContact O-C 3.31Å; I252-L351 WeakPolarHBondContact O-CB 3.32Å; V327-L351 HydrophobicContact CG1-CD1 4.42Å; L351-E353 PolarHBondContact O-N 3.38Å; L351-E353 VanDerWaalsContact O-N 3.15Å; L351-V354 VanDerWaalsContact O-CB 3.31Å; L351-V354 WeakPolarHBondContact O-CB 3.45Å; L351-V354 WeakPolarHBondContact O-CG2 3.31Å; L351-V354 PolarHBondContact O-N 3.09Å
352E96.2Very high97.8Very high123 Ų12350 Ų5058%0.57527%0.269SS*.G310 helixtrans-60.9-18.1172.367.3-81.3-168.400113.7G251 G350G251-E352 VanDerWaalsContact CA-O 3.22Å; G251-E352 WeakPolarHBondContact CA-O 3.33Å; G350-E352 VanDerWaalsContact C-OE2 3.24Å; G350-E352 VanDerWaalsContact CA-OE2 3.3Å; G350-E352 WeakPolarHBondContact CA-OE2 3.46Å; G350-E352 PolarHBondContact O-N 2.89Å
353E97.6Very high97.8Very high105 Ų10550 Ų5049%0.49127%0.27SS..G310 helixtrans-92.2-4.2176.9-60.4177.1-159.700112.8K277 G350 L351 T355K277-E353 HydrophobicContact CD-CB 4.22Å; K277-E353 WeakPolarHBondContact CE-OE2 3.48Å; K277-E353 HydrophobicContact CG-CB 3.84Å; K277-E353 IonicContact NZ-OE2 3.47Å; K277-E353 PolarHBondContact NZ-OE2 2.84Å; G350-E353 WeakPolarHBondContact O-CB 3.09Å; G350-E353 PolarHBondContact O-N 3.47Å; G350-E353 VanDerWaalsContact O-N 3.1Å; L351-E353 PolarHBondContact O-N 3.38Å; L351-E353 VanDerWaalsContact O-N 3.15Å; E353-T355 PolarHBondContact O-N 2.91Å; E353-T355 VanDerWaalsContact O-N 3.11Å
354V98.4Very high97.8Very high1 Ų148.2 Ų48.21%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-79.891.6177.6-176.20000109.6G251 I252 F275 L276 K277 V282 L351G251-V354 CarbonylContact C-O 3.52Å; G251-V354 VanDerWaalsContact CA-O 3.24Å; G251-V354 WeakPolarHBondContact CA-O 3.38Å; I252-V354 HydrophobicContact CD1-CB 4.05Å; I252-V354 HydrophobicContact CD1-CG1 4.03Å; I252-V354 HydrophobicContact CD1-CG2 4.08Å; I252-V354 HydrophobicContact CG1-CB 3.98Å; I252-V354 HydrophobicContact CG1-CG1 4.4Å; I252-V354 HydrophobicContact CG1-CG2 4.21Å; I252-V354 HydrophobicContact CG2-CB 4.16Å; I252-V354 HydrophobicContact CG2-CG1 4.06Å; F275-V354 HydrophobicContact CB-CG1 3.81Å; F275-V354 HydrophobicContact CD1-CG1 3.93Å; F275-V354 HydrophobicContact CG-CG1 4.38Å; L276-V354 CarbonylContact O-C 3.58Å; L276-V354 VanDerWaalsContact O-CA 3.31Å; L276-V354 WeakPolarHBondContact O-CA 3.17Å; K277-V354 HydrophobicContact CB-CG2 4.21Å; V282-V354 HydrophobicContact CG1-CG2 4.37Å; V282-V354 HydrophobicContact CG2-CG1 4.1Å; V282-V354 HydrophobicContact CG2-CG2 3.73Å; L351-V354 VanDerWaalsContact O-CB 3.31Å; L351-V354 WeakPolarHBondContact O-CB 3.45Å; L351-V354 WeakPolarHBondContact O-CG2 3.31Å; L351-V354 PolarHBondContact O-N 3.09Å
355T98.1Very high97.7Very high60 Ų6048.2 Ų48.237%0.36827%0.265SS..EExtended strand (participates in β ladder)trans-103.8-7.4-163.145.80000114.6L248 L276 E353L248-T355 PolarHBondContact N-O 2.98Å; L248-T355 WeakPolarHBondContact O-CA 3.37Å; L276-T355 PolarHBondContact O-N 2.68Å; E353-T355 PolarHBondContact O-N 2.91Å; E353-T355 VanDerWaalsContact O-N 3.11Å
356V98.6Very high97.7Very high35 Ų3543.9 Ų43.921%0.21224%0.243CC..EExtended strand (participates in β ladder)trans-139.2135179.5-177.60000109.6D245 L276D245-V356 HydrophobicContact CB-CG1 3.98Å; L276-V356 HydrophobicContact CB-CB 4.28Å; L276-V356 HydrophobicContact CD1-CB 4.03Å; L276-V356 HydrophobicContact CD1-CG1 3.94Å; L276-V356 WeakPolarHBondContact CD1-O 3.48Å; L276-V356 PolarHBondContact N-O 3.27Å
357L98.8Very high97.6Very high0 Ų044.1 Ų44.10%025%0.249CC..EExtended strand (participates in β ladder)trans-103.7127.2157.4173148.6000108.5L246 L248 V258 V273 D274 F275 V359L246-L357 HydrophobicContact CB-CB 4.24Å; L246-L357 HydrophobicContact CB-CD2 4.16Å; L246-L357 HydrophobicContact CD2-CD2 4.36Å; L246-L357 PolarHBondContact N-O 2.94Å; L246-L357 PolarHBondContact O-N 3.3Å; L248-L357 HydrophobicContact CD1-CB 4.02Å; V258-L357 HydrophobicContact CB-CD1 4.37Å; V258-L357 HydrophobicContact CG1-CD1 3.79Å; V258-L357 HydrophobicContact CG2-CD1 4.29Å; V273-L357 HydrophobicContact CG1-CD1 3.74Å; V273-L357 HydrophobicContact CG1-CD2 4.06Å; V273-L357 HydrophobicContact CG1-CG 3.86Å; D274-L357 CarbonylContact O-C 3.52Å; D274-L357 VanDerWaalsContact O-CA 3.3Å; D274-L357 WeakPolarHBondContact O-CA 3.49Å; F275-L357 HydrophobicContact CD1-CD1 4.49Å; F275-L357 HydrophobicContact CD2-CD1 4.33Å; F275-L357 HydrophobicContact CE1-CD1 3.91Å; F275-L357 HydrophobicContact CE2-CD1 3.72Å; F275-L357 HydrophobicContact CZ-CD1 3.51Å; L357-V359 HydrophobicContact CD2-CG2 3.79Å
358R98.8Very high97.6Very high88 Ų8840.7 Ų40.733%0.33224%0.238SC..EExtended strand (participates in β ladder)trans-116.2130.9-178.8177.3172.4-71.7161.12.4110.5Y244 D245 V273 D274 L276 T360Y244-R358 CarbonylContact O-C 3.37Å; Y244-R358 WeakPolarHBondContact O-CA 3.48Å; D245-R358 WeakPolarHBondContact OD1-CB 3.36Å; D245-R358 WeakPolarHBondContact OD1-CD 3.49Å; D245-R358 WeakPolarHBondContact OD1-CG 3.38Å; D245-R358 IonicContact OD1-CZ 2.73Å; D245-R358 IonicContact OD1-NE 3.53Å; D245-R358 PolarHBondContact OD1-NE 3.44Å; D245-R358 IonicContact OD1-NH2 3.59Å; D245-R358 IonicContact OD2-CZ 3.58Å; D245-R358 IonicContact OD2-NE 2.67Å; D245-R358 PolarHBondContact OD2-NE 2.92Å; D245-R358 IonicContact OD2-NH2 3.66Å; D245-R358 PolarHBondContact OD2-NH2 2.86Å; V273-R358 CarbonylContact C-O 3.55Å; V273-R358 WeakPolarHBondContact CA-O 3.21Å; D274-R358 HydrophobicContact CB-CB 4.46Å; D274-R358 PolarHBondContact N-O 3.44Å; D274-R358 PolarHBondContact O-N 3.29Å; L276-R358 HydrophobicContact CD1-CB 3.51Å; R358-T360 HydrophobicContact CG-CG2 3.56Å
359V98.8Very high97.6Very high2 Ų240.7 Ų40.71%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-108.1124.7172-1740000108.8P243 Y244 Q272 V273 L357 V363 L365P243-V359 VanDerWaalsContact CA-O 3.32Å; P243-V359 WeakPolarHBondContact CA-O 3.27Å; Y244-V359 PolarHBondContact N-O 3.37Å; Y244-V359 PolarHBondContact O-N 2.98Å; Q272-V359 WeakPolarHBondContact O-CA 3.31Å; V273-V359 HydrophobicContact CG2-CG2 4.31Å; L357-V359 HydrophobicContact CD2-CG2 3.79Å; V359-V363 HydrophobicContact CG1-CG1 3.93Å; V359-L365 HydrophobicContact CB-CD2 4.29Å; V359-L365 HydrophobicContact CG2-CD2 4.37Å
360T98.7Very high97.7Very high29 Ų2940.5 Ų40.518%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-137.8169.7175.979.40000112.4P243 F271 Q272 R358P243-T360 HydrophobicContact CB-CG2 3.71Å; F271-T360 CarbonylContact C-O 3.51Å; F271-T360 WeakPolarHBondContact CA-O 2.82Å; F271-T360 WeakPolarHBondContact CB-O 3.3Å; Q272-T360 VanDerWaalsContact CD-OG1 3.24Å; Q272-T360 WeakPolarHBondContact CG-OG1 3.2Å; Q272-T360 PolarHBondContact N-O 2.87Å; Q272-T360 PolarHBondContact NE2-OG1 2.8Å; Q272-T360 PolarHBondContact O-N 3.26Å; R358-T360 HydrophobicContact CG-CG2 3.56Å
361G98.3Very high97.8Very high37 Ų3742 Ų4238%0.38124%0.24SC..EExtended strand (participates in β ladder)trans93.6-158.7176.600000114V363G361-V363 VanDerWaalsContact C-N 3.28Å; G361-V363 PolarHBondContact O-N 3.44Å
362D98.3Very high97.9Very high63 Ų6345.7 Ų45.734%0.33726%0.258SS..SBendtrans-83.861.8-164.4-59.3-34.7000112.5P264 V265 A268 D269 R270P264-D362 WeakPolarHBondContact CA-O 3.35Å; V265-D362 HydrophobicContact CG2-CB 3.82Å; V265-D362 PolarHBondContact N-O 3.27Å; V265-D362 VanDerWaalsContact N-O 3.09Å; A268-D362 HydrophobicContact CB-CB 3.52Å; D269-D362 PolarHBondContact N-OD2 2.71Å; R270-D362 PolarHBondContact N-OD2 2.8Å; R270-D362 WeakPolarHBondContact O-CB 3.28Å; R270-D362 PolarHBondContact O-N 2.86Å
363V98.4Very high97.8Very high11 Ų1145.2 Ų45.27%0.06726%0.258CS..EExtended strand (participates in β ladder)trans-139.3136-176.365.50000111.6V242 F271 F321 V359 G361V242-V363 HydrophobicContact CG2-CG1 4.45Å; F271-V363 HydrophobicContact CB-CB 3.95Å; F271-V363 HydrophobicContact CB-CG1 3.91Å; F271-V363 HydrophobicContact CG-CB 4.16Å; F271-V363 HydrophobicContact CG-CG1 4.35Å; F321-V363 HydrophobicContact CE1-CG2 4.14Å; F321-V363 HydrophobicContact CZ-CG2 4.29Å; V359-V363 HydrophobicContact CG1-CG1 3.93Å; G361-V363 VanDerWaalsContact C-N 3.28Å; G361-V363 PolarHBondContact O-N 3.44Å
364V98.2Very high97.8Very high49 Ų4942.3 Ų42.330%0.29725%0.247SC..EExtended strand (participates in β ladder)trans-83.2119.7163.3179.80000107.5T239 G262 E263 V265 Y366T239-V364 HydrophobicContact CG2-CG1 3.58Å; G262-V364 CarbonylContact C-O 3.44Å; G262-V364 VanDerWaalsContact CA-O 3.27Å; G262-V364 WeakPolarHBondContact CA-O 3.27Å; E263-V364 HydrophobicContact CB-CB 4.48Å; E263-V364 PolarHBondContact N-O 2.81Å; E263-V364 PolarHBondContact O-N 3.47Å; V265-V364 HydrophobicContact CG1-CG2 3.85Å; V364-Y366 HydrophobicContact CB-CE2 4.4Å; V364-Y366 HydrophobicContact CG1-CE1 4.27Å; V364-Y366 HydrophobicContact CG1-CE2 4Å
365L98.3Very high97.8Very high1 Ų144.4 Ų44.41%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-94.7130.7179.3-174.363.8000109.9T239 L240 V242 Y244 V260 V359T239-L365 CarbonylContact C-O 3.48Å; T239-L365 VanDerWaalsContact CA-O 3.24Å; T239-L365 WeakPolarHBondContact CA-O 3.33Å; T239-L365 WeakPolarHBondContact CB-O 3.24Å; L240-L365 HydrophobicContact CB-CB 4.13Å; L240-L365 HydrophobicContact CB-CD2 3.76Å; L240-L365 HydrophobicContact CB-CG 3.89Å; L240-L365 HydrophobicContact CD1-CD2 3.87Å; L240-L365 HydrophobicContact CD1-CG 4.02Å; L240-L365 HydrophobicContact CG-CD2 4.44Å; L240-L365 HydrophobicContact CG-CG 4.42Å; L240-L365 PolarHBondContact N-O 3.18Å; V242-L365 HydrophobicContact CG2-CB 3.7Å; V242-L365 HydrophobicContact CG2-CD2 4.48Å; Y244-L365 VanDerWaalsContact CB-CD2 3.41Å; Y244-L365 HydrophobicContact CD1-CD2 3.6Å; Y244-L365 HydrophobicContact CD2-CD2 4.32Å; Y244-L365 HydrophobicContact CE1-CD2 4.46Å; Y244-L365 HydrophobicContact CG-CD2 3.51Å; V260-L365 HydrophobicContact CG1-CD1 3.61Å; V359-L365 HydrophobicContact CB-CD2 4.29Å; V359-L365 HydrophobicContact CG2-CD2 4.37Å
366Y97.6Very high97.7Very high54 Ų5443.6 Ų43.621%0.21225%0.254CS..EExtended strand (participates in β ladder)trans-106.7-38.8177.9-66.5-81.7000112.1T239 I261 E263 R320 V364T239-Y366 HydrophobicContact CG2-CD1 3.85Å; T239-Y366 HydrophobicContact CG2-CE1 3.73Å; I261-Y366 HydrophobicContact CG2-CD2 4.4Å; I261-Y366 PolarHBondContact O-N 3.27Å; E263-Y366 HydrophobicContact CB-CE2 3.71Å; E263-Y366 PolarHBondContact OE2-OH 3.48Å; R320-Y366 HydrophobicContact CG-CE2 4Å; R320-Y366 PolarHBondContact NE-OH 3.1Å; R320-Y366 PolarHBondContact NH2-OH 3.5Å; R320-Y366 VanDerWaalsContact NH2-OH 3.08Å; V364-Y366 HydrophobicContact CB-CE2 4.4Å; V364-Y366 HydrophobicContact CG1-CE1 4.27Å; V364-Y366 HydrophobicContact CG1-CE2 4Å
367S97.3Very high97.7Very high45 Ų4544.1 Ų44.132%0.31526%0.256SS..EExtended strand (participates in β ladder)trans-155.9152.7173.6650000111.2V260 I261V260-S367 WeakPolarHBondContact CA-O 3.48Å; I261-S367 WeakPolarHBondContact CB-OG 3.19Å; I261-S367 WeakPolarHBondContact CG1-OG 2.98Å; I261-S367 PolarHBondContact N-O 3.46Å; I261-S367 PolarHBondContact O-N 3.2Å
368A97.9Very high97.6Very high9 Ų946.8 Ų46.87%0.07427%0.272CS..EExtended strand (participates in β ladder)trans-144.9116.416800000107Y244 L246 T259 V260Y244-A368 HydrophobicContact CD1-CB 4.19Å; Y244-A368 HydrophobicContact CE1-CB 3.86Å; L246-A368 HydrophobicContact CD2-CB 4.41Å; T259-A368 WeakPolarHBondContact O-CA 3.33Å; V260-A368 HydrophobicContact CG2-CB 4.19Å
369A96.9Very high97.6Very high49 Ų4944.1 Ų44.141%0.40527%0.268SS..EExtended strand (participates in β ladder)trans-139.5133-173.400000111.3T259T259-A369 PolarHBondContact N-O 3.1Å; T259-A369 PolarHBondContact O-N 3.35Å
370P97.4Very high97.5Very high45 Ų4547.1 Ų47.129%0.29229%0.286SS..EExtended strand (participates in β ladder)trans-85.6148.4168.633.2-27.5000110.6L246 L248 L256 L257L246-P370 HydrophobicContact CD2-CG 4.48Å; L248-P370 HydrophobicContact CD2-CB 4.25Å; L248-P370 HydrophobicContact CD2-CG 4.47Å; L256-P370 HydrophobicContact CD1-CB 3.95Å; L257-P370 CarbonylContact O-C 3.57Å
371S96.8Very high97.4Very high51 Ų5148.5 Ų48.536%0.35730%0.295SS..EExtended strand (participates in β ladder)trans-147.915017357.90000109.7L257L257-S371 PolarHBondContact N-O 3.46Å; L257-S371 PolarHBondContact O-N 2.81Å; L257-S371 PolarHBondContact O-OG 2.83Å; L257-S371 VanDerWaalsContact O-OG 3.14Å
372M96.7Very high97.3Very high102 Ų10249.4 Ų49.450%0.50229%0.287SS..EExtended strand (participates in β ladder)trans-96.9133.1170.2-67-58.6-62.300108.4M253 R255 L256M253-M372 HydrophobicContact CG-CE 3.87Å; M253-M372 HydrophobicContact CG-SD 4.21Å; M253-M372 HydrophobicContact SD-CE 4.05Å; M253-M372 HydrophobicContact SD-SD 4.42Å; R255-M372 HydrophobicContact CB-CE 3.98Å; L256-M372 HydrophobicContact CB-SD 4Å; L256-M372 HydrophobicContact CD1-SD 3.88Å
373I93.8Very high97.2Very high114 Ų11448.2 Ų48.259%0.58528%0.283SS*.  trans-110.60176.660.8170.1000112.4R255 L257 L326R255-I373 HydrophobicContact CB-CG1 4.43Å; R255-I373 WeakPolarHBondContact CB-O 3.39Å; R255-I373 PolarHBondContact NE-O 3.4Å; R255-I373 PolarHBondContact NH2-O 3.46Å; R255-I373 PolarHBondContact NH2-OXT 3.38Å; R255-I373 WeakPolarHBondContact O-CG1 3.32Å; R255-I373 PolarHBondContact O-N 3.22Å; R255-I373 VanDerWaalsContact O-N 3.09Å; L257-I373 HydrophobicContact CB-CG2 4.15Å; L257-I373 HydrophobicContact CD2-CG2 3.96Å; L326-I373 HydrophobicContact CD1-CD1 3.7Å; L326-I373 HydrophobicContact CD1-CG1 4.16Å; L326-I373 HydrophobicContact CD2-CD1 4.41Å

Retrieved 373 of 373 residues in 200.8 ms (Link to these results)