X5D9C2_HUMAN Loading...

Seizure 6-like protein 2

May contribute to specialized endoplasmic reticulum functions in neurons.

AlphaFold DB , UniProt , Accession X5D9C2, Species HUMAN (Homo sapiens, Human), Gene SEZ6L2, Length 746 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.3Very low42.2Very low253 Ų253141.3 Ų141.3100%1.24680%0.802SS**  0144.20-58.1171.8-176.100107.1
2G31.3Very low43Very low75 Ų75138.3 Ų138.377%0.77379%0.793SS**  cis-172.8138-4.500000110.1
3T34.4Very low42.2Very low142 Ų142140.9 Ų140.987%0.87179%0.794SS**  trans-78.4-174.4-176.443.70000112.8
4P59.5Low41.4Very low112 Ų112140.4 Ų140.473%0.72779%0.787SS**  cis-121.5-156.61.441.7-22.8000112.3
5R40.4Very low40.7Very low218 Ų218140.4 Ų140.482%0.82378%0.784SS**  cis-156.1179.98.2-140.6-178.9-174.1123.32.3106
6A36.4Very low40.1Very low73 Ų73143.1 Ų143.160%0.60379%0.785SS**  cis-159.7-172.12.500000107.6
7Q31.3Very low39.5Very low155 Ų155143.9 Ų143.972%0.72479%0.787SS**  cis-143.38.3-7.5-156.4131.2-95.300114.4
8H34.7Very low39.6Very low192 Ų192144.1 Ų144.189%0.88979%0.785SS**  trans90.2155168.5-66.4-67.5000121.9
9P58.9Low39.1Very low109 Ų109144.5 Ų144.571%0.70879%0.786SS**  trans-107.8-130.7-178.329.1-4.5000111.6
10P49.1Very low38.8Very low113 Ų113144.4 Ų144.473%0.73478%0.784SS**  -144.9-128.251.648.7-24.8000113.9
11P56Low38.4Very low112 Ų112143.2 Ų143.273%0.72779%0.786SS**  trans-123.6-144.5-15935.7-7.1000111.8
12P51.5Low38.2Very low106 Ų106135.8 Ų135.869%0.68876%0.758SS**  cis-145.3172.9-644.4-24.5000120.3
13Q32.8Very low39.1Very low172 Ų172137.9 Ų137.980%0.80476%0.758SS**  trans72.1131140.4-85.5-173.3-0.600126.6
14L31.3Very low39Very low133 Ų133142.1 Ų142.170%0.69676%0.758SS**  trans92128.2135.8-107.676.4000125.2
15L31.1Very low37.6Very low141 Ų141142.9 Ų142.974%0.73876%0.755SS**  trans62122.4136.3-114.583.3000125.4
16F29.9Very low37.2Very low184 Ų184141.2 Ų141.281%0.80776%0.756SS**  trans57.6155.5133.7-109-75.6000124.7
17L30.7Very low36.9Very low156 Ų156141.5 Ų141.582%0.81777%0.767SS**  trans89.1149.3155.7-78.9171.7000120.7
18I41.7Very low36.7Very low148 Ų148142.3 Ų142.376%0.75978%0.775SS**  trans-126.3137.9-178.3-54.1171.7000106.9
19L30.1Very low38Very low151 Ų151138.6 Ų138.679%0.79177%0.768SS**  trans144.6143.8141.3-80.8176.3000114.7
20L32.9Very low36.4Very low143 Ų143141.8 Ų141.875%0.74978%0.778SS**  trans65.9144.6148.4-69.9164.4000121.5
21S29.4Very low35.4Very low119 Ų119143.8 Ų143.883%0.83278%0.775SS**  trans-142.2121.715160.60000109.6
22C29.7Very low34.1Very low98 Ų98144.3 Ų144.366%0.66277%0.768SS**  trans-119.7174173.8-58.30000109.7
23P49.6Very low32.9Very low118 Ų118147.1 Ų147.177%0.76677%0.772SS**  trans-120.5117.71454.816.8000112.7
24W31.5Very low32.7Very low231 Ų231147.1 Ų147.188%0.87577%0.772SS**  56.2133.8119.9-69.141.8000118.1
25I30.5Very low32.4Very low128 Ų128148.9 Ų148.966%0.65678%0.78SS**  cis-160.1149.543.8-120.5143.2000112.5
26Q31.8Very low32.6Very low184 Ų184149 Ų14986%0.8678%0.78SS**  trans21.4139.9153.8-51.5170.4-14.300123.1
27G30.1Very low32.6Very low79 Ų79146.1 Ų146.181%0.81478%0.78SS**  trans147.5121.2146.200000117.4
28L27.6Very low32.5Very low172 Ų172146.5 Ų146.590%0.90178%0.778SS**  trans-123.5171.1169.1-81.2168.1000108.6
29P61.4Low32.3Very low113 Ų113145.1 Ų145.173%0.73478%0.779SS**  -123.7-176.9-86.133.5-12.7000112.1
30L25.7Very low32.1Very low177 Ų177141 Ų14193%0.92777%0.773SS**  trans-162.5-175157.7-114.5169.7000113.3
31K27.8Very low31.8Very low155 Ų155140.1 Ų140.167%0.67478%0.779SS**  trans-131.4179.6-163.5-170.8177.8166.3-88.30110.5
32E28.8Very low31.7Very low122 Ų122143.8 Ų143.857%0.5778%0.783SS**  trans71.5145.7179.1-88.967.7-140.400114.4
33E27.4Very low31.7Very low166 Ų166145.4 Ų145.478%0.77679%0.79SS**  cis-156.6-160.3-11.4-140.7165.4-176.900111.2
34E28.4Very low30.8Very low172 Ų172145.6 Ų145.680%0.80479%0.791SS**  trans-56.5161.2-169.8-57.7178.211300118.6
35I25.4Very low30.9Very low169 Ų169141.2 Ų141.287%0.86779%0.79SS**  -173.3143.9118.6-94.2155.4000111.7
36L34.5Very low30.8Very low143 Ų143141.6 Ų141.675%0.74980%0.798SS**  trans-83.3159.6179-145.280.5000112.5E38L36-E38 HydrophobicContact CD2-CG 4.28Å
37P29.3Very low30.7Very low124 Ų124136.3 Ų136.381%0.80579%0.786SS**  -148.6163.691.638.7-21.6000116.9
38E28.2Very low31.2Very low164 Ų164138 Ų13877%0.76679%0.785SS**  trans-90-175.4167.4-71.1-163.5146.400112.3L36L36-E38 HydrophobicContact CD2-CG 4.28Å
39P38.6Very low31.6Very low119 Ų119138.1 Ų138.177%0.77378%0.781SS**  -131.1174.8-58.437.8-23000112.2
40G25.7Very low30.4Very low66 Ų66136.4 Ų136.468%0.6878%0.776SS**  trans-173.7104.1172.200000117.6
41S26.3Very low30.8Very low124 Ų124134.9 Ų134.987%0.86777%0.768SS**  trans40.998.3154.962.70000119.4
42E26.7Very low31.2Very low195 Ų195131.1 Ų131.191%0.91177%0.767SS**  trans-127.9146.4146.8-71.9-162.9146.900110
43T29.7Very low31.8Very low132 Ų132133 Ų13381%0.8178%0.775SS**PPolyproline II helixtrans-94.3123.1-177.649.40000110.9T45T43-T45 PolarHBondContact O-N 3.44Å
44P32Very low32.3Very low123 Ų123132.3 Ų132.380%0.79978%0.776SS**PPolyproline II helixtrans-70.7128.6175.728.6-33.4000111
45T32.3Very low32.7Very low139 Ų139131 Ų13185%0.85377%0.774SS**PPolyproline II helixtrans-67.8139.3167.736.90000110.5T43T43-T45 PolarHBondContact O-N 3.44Å
46V29.2Very low33.4Very low135 Ų135131.5 Ų131.582%0.81877%0.772SS**PPolyproline II helixtrans-79.6125-179177.10000110
47A29.7Very low33.5Very low73 Ų73128.5 Ų128.560%0.60378%0.776SS**PPolyproline II helixtrans-68.7148.1174.100000111.9E49A47-E49 VanDerWaalsContact C-N 3.29Å; A47-E49 PolarHBondContact O-N 3.12Å
48S40Very low33.9Very low114 Ų114126.8 Ų126.880%0.79777%0.772SS**G310 helixtrans-76.40.2-165.143.30000116.4A50S48-A50 VanDerWaalsContact C-N 3.32Å; S48-A50 PolarHBondContact O-N 2.78Å
49E35.7Very low34.2Very low175 Ų175127 Ų12782%0.81878%0.777SS**G310 helixtrans-76.3-14.5-175.1-65.8179.9114.600114.3A47 L51A47-E49 VanDerWaalsContact C-N 3.29Å; A47-E49 PolarHBondContact O-N 3.12Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.99Å
50A36Very low34.1Very low77 Ų77129.4 Ų129.464%0.63678%0.783SS**G310 helixtrans-77.8-5.1-175.500000115.4S48S48-A50 VanDerWaalsContact C-N 3.32Å; S48-A50 PolarHBondContact O-N 2.78Å
51L34.8Very low34.6Very low145 Ų145137.9 Ų137.976%0.75980%0.795SS**G310 helixtrans-93.5-16.1-170.6-148.974.4000114.7E49E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 2.99Å
52A36.5Very low34.8Very low77 Ų77144.3 Ų144.364%0.63680%0.8SS**SBendtrans-78.6-33.4-168.800000115.1L54A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 2.86Å
53E40.9Very low35Very low161 Ų161138.2 Ų138.275%0.75279%0.789SS**THydrogen-bonded Turntrans-76.5-12.2-174.5-72.4-165.9142.200114.4
54L37.4Very low35.6Very low152 Ų152138.1 Ų138.180%0.79679%0.791SS**THydrogen-bonded Turntrans-92.5-2-168.4-90.3167000116.5A52A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 2.86Å
55L37.3Very low35.5Very low144 Ų144141.4 Ų141.475%0.75480%0.796SS**SBendtrans-108.6-10.5-173.2-92.7166000116.6G57L55-G57 PolarHBondContact O-N 2.82Å
56H39.9Very low35.3Very low179 Ų179143.6 Ų143.683%0.82980%0.798SS**THydrogen-bonded Turntrans-86.42.9-173.2-79.992.8000115.9
57G38Very low35.4Very low81 Ų81141 Ų14184%0.83580%0.799SS**THydrogen-bonded Turntrans-84.6-11.2-178.900000116.5L55L55-G57 PolarHBondContact O-N 2.82Å
58A36.7Very low35.3Very low87 Ų87147.4 Ų147.472%0.71981%0.809SS**SBendtrans-99.1-8.4-157.900000117.1
59L34Very low34.8Very low168 Ų168149 Ų14988%0.8881%0.808SS**SBendtrans-118.815.8-165.9-79.4173.8000116.8
60L38.1Very low35Very low171 Ų171146.4 Ų146.490%0.89581%0.806SS**SBendtrans-12943.6177.7-75.3177.9000115.2
61R34.5Very low34.5Very low244 Ų244146.2 Ų146.292%0.92181%0.812SS**  trans-141.593.2161.1-72.5-164.2178.4-174.30.7113.7
62R32Very low34.3Very low259 Ų259145.2 Ų145.298%0.97782%0.817SS**  trans-134.788.9152.3-94.3-170.2172178.9-1.1109.9
63G29.7Very low33.9Very low67 Ų67148.7 Ų148.769%0.69183%0.825SS**  trans-98158.4159.400000110
64P42.4Very low33.9Very low129 Ų129146.8 Ų146.884%0.83883%0.826SS**  trans-89.1152.3-172.335.1-35.2000113.5
65E30.7Very low33.5Very low193 Ų193145.8 Ų145.890%0.90282%0.822SS**  trans-121.6154.6161.1-73.5-159.7132.700110.9
66M27.5Very low33.6Very low185 Ų185143.6 Ų143.691%0.91182%0.816SS**  trans-95.1136.5-177.6-61.9-179.2-177.700111.8
67G31.5Very low33.1Very low81 Ų81140.8 Ų140.884%0.83581%0.812SS**  trans-123133.316000000109.2
68Y27.8Very low32.7Very low207 Ų207145.1 Ų145.181%0.81282%0.815SS**  trans-123.2163.8-168.3-141.1-84.5000111.8
69L29Very low32.3Very low148 Ų148145.8 Ų145.878%0.77582%0.821SS**  trans87.7149.6170.9-51.9169.6000117
70P40.9Very low32.1Very low119 Ų119144.7 Ų144.777%0.77382%0.821SS**  -141150.2-51.636.8-20.8000115.3
71G25.6Very low32.2Very low73 Ų73142 Ų14275%0.75381%0.814SS**  trans90.7113.7139.200000119.9
72S29.8Very low32.3Very low124 Ų124136.2 Ų136.287%0.86781%0.808SS**  -172.3112.7119.638.60000111.3
73D28.8Very low32.3Very low150 Ų150129.1 Ų129.180%0.80280%0.804SS**  trans-72.3150.4159.3-101.8-51.3000109.1
74P39.8Very low32.2Very low121 Ų121129.2 Ų129.279%0.78681%0.805SS**  -144.3139.164.737.6-18.8000118.1
75D29Very low31.7Very low131 Ų131132.2 Ų132.270%0.70181%0.808SS**  trans-59.6152.6150.1-173.335.5000111
76P40.4Very low31.6Very low99 Ų99129.2 Ų129.264%0.64380%0.803SS**  -151.2160.410141.2-25000117.5
77T29.6Very low31.5Very low120 Ų120127.8 Ų127.874%0.73680%0.799SS**  trans82.7115.2160.967.20000117
78L29.3Very low31.4Very low171 Ų171127.9 Ų127.990%0.89579%0.792SS**  cis95.589.438.1-173.9116.3000113.9
79A27.8Very low31.9Very low102 Ų102124.2 Ų124.284%0.84379%0.79SS**  trans-155.4139.2152.200000110.8
80T30.9Very low32.2Very low144 Ų144123.2 Ų123.288%0.88379%0.793SS**  trans-104.1159.517520.50000112.1
81P38.3Very low31.7Very low116 Ų116122.6 Ų122.675%0.75379%0.791SS**  trans-95.1-179.3-164.739.2-38.9000114.3
82P38.2Very low32Very low122 Ų122126.9 Ų126.979%0.79280%0.796SS**  trans-137.6135.3135.436.3-23.6000116.6
83A30.6Very low32.5Very low109 Ų109127 Ų12790%0.90179%0.794SS**  trans64.6136.9141.100000123.7
84G29.3Very low32.4Very low69 Ų69131.6 Ų131.671%0.71180%0.8SS**  trans114.291.9169.100000112.9
85Q30.8Very low31.9Very low192 Ų192130.3 Ų130.390%0.89780%0.8SS**  57.812368.9-60.9-169.5-5.300112.8
86T28.1Very low31.7Very low131 Ų131130.9 Ų130.980%0.80481%0.808SS**  cis-146.6161.619.6-50.10000113.6
87L26.8Very low31.1Very low155 Ų155134.7 Ų134.781%0.81282%0.817SS**  trans-59.3152.1169-63.1153.2000111.9
88A28.9Very low31.8Very low83 Ų83134.9 Ų134.969%0.68682%0.82SS**  cis91.612731.800000116
89V37Very low31.6Very low130 Ų130129.8 Ų129.879%0.78881%0.809SS**  trans13.6141158.4-166.20000120.8
90P37.2Very low31.6Very low127 Ų127132.2 Ų132.283%0.82581%0.814SS**  trans-131.8157.5141.538.7-27.9000114.8
91S28.6Very low31.4Very low105 Ų105128.6 Ų128.673%0.73481%0.805SS**  trans-152147.6168.4590000112.5
92L33.5Very low31.6Very low164 Ų164128.6 Ų128.686%0.85981%0.805SS**  trans63.9165.6175.3-104.774.3000115.8
93P39.5Very low31Very low126 Ų126130.1 Ų130.182%0.81881%0.805SS**  cis-138.8-162.143.342.8-22.2000116.9
94R25.8Very low30.7Very low247 Ų247131.5 Ų131.593%0.93280%0.803SS**  trans-105.7168.6-172.3-169.7169.7177161.9-1.4112.6
95A29.6Very low30.5Very low94 Ų94134.3 Ų134.378%0.77781%0.806SS**  trans-82.5-173-164.400000117.4
96T26.5Very low30.3Very low142 Ų142129.5 Ų129.587%0.87180%0.8SS**  trans-143.3158.9173-36.90000110.4
97E27.6Very low30.3Very low180 Ų180130.1 Ų130.184%0.84180%0.803SS**  trans-88.7-160.9-170.5-45.6-176110.300113
98P43.6Very low30.2Very low124 Ų124128.7 Ų128.781%0.80580%0.801SS**  cis-141.3-179.7-6.941-22.2000117.3
99G24.8Very low31.1Very low63 Ų63129.4 Ų129.465%0.64980%0.798SS**  trans143.610314000000121.7
100T29Very low30.6Very low154 Ų154130.7 Ų130.795%0.94580%0.8SS**  trans71.7141.1147.9-8.80000120.9
101G25.2Very low30.2Very low68 Ų68128 Ų12870%0.70180%0.796SS**  trans-102.9-149.1176.700000114.3
102P42.4Very low30.2Very low115 Ų115128.8 Ų128.875%0.74780%0.796SS**  cis-138.3179.611.644.1-26.6000117.2
103L25.7Very low30Very low154 Ų154132.7 Ų132.781%0.80680%0.799SS**  trans49.6109.1149.1-77.4163.6000121.1
104T25.8Very low29.5Very low138 Ų138130.2 Ų130.285%0.84780%0.797SS**  166.6165.8108.539.80000114.7
105T25.2Very low29.5Very low129 Ų129123.9 Ų123.979%0.79180%0.798SS**  trans-45.9131.6-174.147.30000121.1
106A26.3Very low29.4Very low91 Ų91122.9 Ų122.975%0.75280%0.796SS**  77.6164.1123.900000122.5
107V28Very low30.6Very low143 Ų143121.8 Ų121.887%0.86779%0.792SS**  trans88.2122.7168.3-173.50000117.1
108T24.6Very low30.6Very low126 Ų126119.3 Ų119.377%0.77379%0.789SS**  trans-99.6-171.8170.759.10000109.3
109P48Very low29.9Very low97 Ų97117.9 Ų117.963%0.6379%0.787SS**  cis-136.3-161.4-2.240.2-19.3000113.9
110N26.8Very low30.9Very low157 Ų157120 Ų12084%0.8479%0.789SS**  trans58.9120.6158.6-57.9-16000118.3
111G27.7Very low30.9Very low70 Ų70121 Ų12172%0.72278%0.784SS**  cis126.5173.327.100000111.2
112V29.1Very low30.9Very low123 Ų123124.3 Ų124.375%0.74578%0.784SS**  trans84104155.9-171.10000120.5
113R29.3Very low30.3Very low245 Ų245126.3 Ų126.393%0.92579%0.788SS**  trans62.7154.8143.9-62.3170.7-172.6177.80.8121.4
114G27.9Very low30.3Very low75 Ų75125 Ų12577%0.77379%0.787SS**  trans159.652.5147.500000119.6
115A27.1Very low31.1Very low114 Ų114124 Ų12494%0.94278%0.782SS**  trans-51.1150.8176.500000116.3
116G27.8Very low32.2Very low72 Ų72123 Ų12374%0.74278%0.778SS**  trans150.8147.515500000115.8
117P50.3Low33.2Very low120 Ų120124.4 Ų124.478%0.77978%0.78SS**  trans-130.8-164.3-139.539.9-21.8000116.6
118T29.1Very low33.4Very low127 Ų127121 Ų12178%0.77977%0.774SS**  trans78.295.4164.247.70000120.8
119A27.6Very low33.8Very low94 Ų94121.3 Ų121.378%0.77778%0.776SS**  54.6158.5109.200000122.3
120P46.4Very low33Very low107 Ų107123.1 Ų123.170%0.69579%0.785SS**  cis-138.6-167.5-29.438.4-19000114.3
121E29.5Very low33Very low176 Ų176119.9 Ų119.982%0.82278%0.78SS**  trans66.4164.7163.4-68.1-172.891.200119.5
122L25Very low33.6Very low137 Ų137122.3 Ų122.372%0.71778%0.783SS**  cis-173.2157.8-42.3-171.566.9000107.5
123L28.4Very low34.8Very low157 Ų157122 Ų12282%0.82278%0.783SS**  trans105.9151.7163.4-57.7168.3000119
124T25.5Very low35.2Very low128 Ų128116.2 Ų116.279%0.78578%0.778SS**  trans-138.6-158.5-170.760.60000108.2
125P43.6Very low36Very low115 Ų115118.2 Ų118.275%0.74778%0.777SS**  cis-124.2-99.2-14.321.14.9000118.7
126P49Very low36.6Very low108 Ų108118.3 Ų118.370%0.70177%0.771SS**  trans-125-147.3-132.644.6-24000112.9
127P46.2Very low37.1Very low122 Ų122121.1 Ų121.179%0.79278%0.776SS**  cis-141.1177.3-10.741.7-22.8000118.6
128G32.8Very low36.1Very low72 Ų72119.8 Ų119.874%0.74278%0.775SS**  trans90157.9148.300000118.5
129T33.3Very low36.1Very low132 Ų132119.5 Ų119.581%0.8178%0.778SS**  cis-151.8170-15.949.70000107.6
130T30.3Very low36.8Very low135 Ų135121.4 Ų121.483%0.82878%0.783SS**  -174.9169.751.9-34.90000110.5
131A27.8Very low35.8Very low89 Ų89119.8 Ų119.874%0.73679%0.786SS**  trans-121.1-155.8-175.800000112.5
132P40.3Very low36.1Very low121 Ų121117.3 Ų117.379%0.78679%0.785SS**  cis-136.5-175.5-15.430.8-5.8000115.8
133P53.7Low37.3Very low115 Ų115116.1 Ų116.175%0.74779%0.785SS**  trans-104.5-178.7-177.242.2-36.8000115.5
134P38.2Very low37.2Very low124 Ų124117.1 Ų117.181%0.80579%0.79SS**  -147.4-134.994.836.1-10.8000116.1
135P43.1Very low37.3Very low117 Ų117114.2 Ų114.276%0.7679%0.786SS**  -126-167.9-116.342.2-21.6000118.6
136S39.9Very low37.4Very low117 Ų117114.4 Ų114.482%0.81879%0.787SS**  trans-57.7158.5-167.3-31.20000120
137P39.7Very low36.5Very low131 Ų131118.6 Ų118.685%0.85180%0.797SS**  -145.7-175.3129.940.9-26.4000115.1
138A27.9Very low35.7Very low91 Ų91116.4 Ų116.475%0.75280%0.797SS**  trans-139.9154.3173.900000112.8
139S30Very low35.7Very low121 Ų121116 Ų11685%0.84679%0.793SS**  trans58.4134.9167.1-61.30000120.7
140P42.1Very low35.6Very low135 Ų135118.5 Ų118.588%0.87780%0.795SS**  trans-124.7164.4154.238.1-26.6000113.9
141G26Very low35.8Very low73 Ų73120.3 Ų120.375%0.75379%0.794SS**  trans-122.4176.7173.700000113.7
142P34.7Very low35.8Very low124 Ų124124.2 Ų124.281%0.80580%0.797SS**  trans-103.9-173.7-168.842-37.5000113.4
143P50.6Low35.3Very low111 Ų111124.1 Ų124.172%0.72180%0.795SS**  cis-127.4-175.7-30.531.1-12.1000112.4
144L27Very low34.2Very low178 Ų178124.4 Ų124.493%0.93280%0.795SS**  172.4146.6129.6-91.3162.2000111.2
145G26.4Very low34Very low67 Ų67124.7 Ų124.769%0.69179%0.794SS**  trans-119.9-145.4175.700000111.6
146P46.8Very low33.7Very low119 Ų119124.3 Ų124.377%0.77379%0.79SS**  cis-138-146.93.241.4-19.4000113.5
147E28.5Very low33.5Very low196 Ų196125.9 Ų125.992%0.91679%0.788SS**  trans68.6129.4178.1-57.8-172.197.400116.3
148G30.5Very low33.5Very low76 Ų76125.9 Ų125.978%0.78478%0.779SS**  cis-163.9143.7-10.900000107.1
149G32.2Very low33.8Very low64 Ų64127.2 Ų127.266%0.6678%0.778SS**  86.3134.176.500000110.4
150E32.9Very low34Very low184 Ų184126.5 Ų126.586%0.8677%0.768SS**  cis-153.2165.9-3.8-78.2106138.700106.5
151E33.9Very low33.6Very low173 Ų173125.5 Ų125.581%0.80876%0.76SS**  cis-156.5179.23.2-138.1179.2161.300110.6
152E27.2Very low34Very low171 Ų171127.4 Ų127.480%0.79976%0.757SS**  trans54.3138.9162.1-68.9-159136.300121.9
153T30Very low33.8Very low119 Ų119126.4 Ų126.473%0.7375%0.749SS**  cis-129.7151.87.6340000112.9T155T153-T155 PolarHBondContact O-N 2.74Å
154T30.3Very low33Very low122 Ų122126.9 Ų126.975%0.74875%0.75SS**  trans-78.5113.9-175.1-550000113.4T156T154-T156 HydrophobicContact CG2-CG2 4.06Å
155T35.2Very low33.2Very low130 Ų130123.1 Ų123.180%0.79873%0.734SS**  trans-104.283.7157.1-55.40000109T153 I157T153-T155 PolarHBondContact O-N 2.74Å; T155-I157 PolarHBondContact O-N 2.81Å; T155-I157 VanDerWaalsContact O-N 3.12Å
156T35.3Very low33.6Very low109 Ų109125.7 Ų125.767%0.66974%0.737SS**  trans-63111.8171.111.10000108.6T154 I158T154-T156 HydrophobicContact CG2-CG2 4.06Å; T156-I158 VanDerWaalsContact C-N 3.3Å; T156-I158 PolarHBondContact O-N 2.88Å
157I36.2Very low32.8Very low150 Ų150125.7 Ų125.777%0.76973%0.734SS**  trans-67.196.5171.2-59.3176.2000106.9T155 T159T155-I157 PolarHBondContact O-N 2.81Å; T155-I157 VanDerWaalsContact O-N 3.12Å; I157-T159 PolarHBondContact O-N 2.88Å
158I38.8Very low33.1Very low131 Ų131120.9 Ų120.967%0.67272%0.718SS**  trans-64.8104.7166.7-53.8176.5000105.2T156 T160T156-I158 VanDerWaalsContact C-N 3.3Å; T156-I158 PolarHBondContact O-N 2.88Å; I158-T160 HydrophobicContact CB-CG2 4.49Å; I158-T160 HydrophobicContact CG2-CG2 3.76Å; I158-T160 PolarHBondContact O-N 2.75Å
159T34.6Very low33.4Very low118 Ų118121.2 Ų121.272%0.72471%0.709SS**  trans-65.883.3159.348.10000107I157 T161I157-T159 PolarHBondContact O-N 2.88Å; T159-T161 PolarHBondContact O-N 2.75Å
160T35Very low34Very low106 Ų106122.3 Ų122.365%0.6570%0.704SS**  trans-64.587160.648.40000106I158 T162I158-T160 HydrophobicContact CB-CG2 4.49Å; I158-T160 HydrophobicContact CG2-CG2 3.76Å; I158-T160 PolarHBondContact O-N 2.75Å; T160-T162 PolarHBondContact O-N 2.78Å
161T33.4Very low35Very low114 Ų114114.6 Ų114.670%0.69967%0.67SS**  trans-56.996.2156.6-44.20000104.8T159 V163T159-T161 PolarHBondContact O-N 2.75Å; T161-V163 HydrophobicContact CG2-CG2 3.92Å; T161-V163 PolarHBondContact O-N 2.83Å
162T33.9Very low36.3Very low113 Ų113112.1 Ų112.169%0.69366%0.661SS**  trans-70.373.3166.949.50000106.4T160 T164T160-T162 PolarHBondContact O-N 2.78Å; T162-T164 PolarHBondContact O-N 3.29Å
163V32.3Very low38.5Very low103 Ų103106.1 Ų106.162%0.62464%0.638SS**  trans-55.998147.2-1740000103.2T161 T165T161-V163 HydrophobicContact CG2-CG2 3.92Å; T161-V163 PolarHBondContact O-N 2.83Å; V163-T165 HydrophobicContact CG1-CG2 3.9Å; V163-T165 PolarHBondContact O-N 2.87Å
164T32.9Very low40.8Very low121 Ų121105.1 Ų105.174%0.74263%0.628SS**  trans-6577.3157.945.30000105.4T162 T166T162-T164 PolarHBondContact O-N 3.29Å; T164-T166 PolarHBondContact O-N 3.44Å
165T30.5Very low43.2Very low100 Ų100101.9 Ų101.961%0.61361%0.606SS**  trans-53104.1151.346.10000103.7V163 V167V163-T165 HydrophobicContact CG1-CG2 3.9Å; V163-T165 PolarHBondContact O-N 2.87Å; T165-V167 PolarHBondContact O-N 3.04Å
166T35.3Very low45.6Very low120 Ų120100.8 Ų100.874%0.73660%0.595SS**  trans-57.390.6159.446.80000104.7T164 T168T164-T166 PolarHBondContact O-N 3.44Å; T166-T168 PolarHBondContact O-N 3.33Å
167V29.7Very low48.1Very low120 Ų12096.5 Ų96.573%0.72757%0.568SS**  trans-68.389166.7179.10000103.1T165 S169T165-V167 PolarHBondContact O-N 3.04Å; V167-S169 PolarHBondContact O-N 3.32Å
168T36.1Very low50.6Low94 Ų9493.6 Ų93.658%0.57756%0.561SS**  trans-62.382.6165.623.90000106.3T166T166-T168 PolarHBondContact O-N 3.33Å
169S35.2Very low52.9Low84 Ų8493.6 Ų93.659%0.58756%0.558SS**  trans-52.9123.2159.643.80000105.7V167 V171V167-S169 PolarHBondContact O-N 3.32Å; S169-V171 PolarHBondContact O-N 3.5Å
170P46.3Very low55.4Low87 Ų8789.6 Ų89.657%0.56554%0.541SS*.  trans-58119.1-178.722.8-32.5000107.3L172P170-L172 PolarHBondContact O-N 3.48Å
171V52.6Low58.2Low22 Ų2290 Ų9013%0.13354%0.535CS..  trans-63.5107.8-167.8-168.40000107.8S169 C173 N175 I177 Y204S169-V171 PolarHBondContact O-N 3.5Å; V171-C173 PolarHBondContact O-N 3.13Å; V171-N175 HydrophobicContact CG1-CB 4.09Å; V171-I177 HydrophobicContact CG1-CD1 4.18Å; V171-Y204 HydrophobicContact CB-CE1 4.22Å; V171-Y204 HydrophobicContact CG1-CD1 3.83Å; V171-Y204 HydrophobicContact CG1-CE1 3.67Å
172L62.5Low61Low120 Ų12085.1 Ų85.163%0.62851%0.508SS*.  trans-62.1139.3-173.9-69.5165.5000109.4P170 N174 N175 Y204P170-L172 PolarHBondContact O-N 3.48Å; L172-N174 PolarHBondContact O-N 2.74Å; L172-N175 PolarHBondContact N-ND2 2.87Å; L172-N175 VanDerWaalsContact O-CB 3.25Å; L172-N175 WeakPolarHBondContact O-CB 3.4Å; L172-N175 VanDerWaalsContact O-CG 3.31Å; L172-N175 PolarHBondContact O-N 3.18Å; L172-N175 VanDerWaalsContact O-N 3.09Å; L172-Y204 WeakPolarHBondContact O-CE1 3.33Å
173C73.1Confident63.6Low45 Ų4584.4 Ų84.430%0.30449%0.493SS..THydrogen-bonded Turntrans-51.2132170.3-173.30000109.7V171 P187 D201 C202V171-C173 PolarHBondContact O-N 3.13Å; C173-P187 HydrophobicContact CB-CG 4.26Å; C173-D201 PolarHBondContact SG-O 2.72Å; C173-C202 HydrophobicContact CB-CB 4.04Å; C173-C202 WeakPolarHBondContact CB-SG 3.45Å; C173-C202 WeakPolarHBondContact SG-CA 3.17Å; C173-C202 WeakPolarHBondContact SG-CB 3.2Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 3.37Å
174N77.8Confident66.3Low99 Ų9979.5 Ų79.553%0.52946%0.464SS..THydrogen-bonded Turntrans67.331.9-174.5-56.8-30.1000115.7L172 C202 T203L172-N174 PolarHBondContact O-N 2.74Å; N174-C202 WeakPolarHBondContact OD1-CA 3.25Å; N174-T203 WeakPolarHBondContact CA-O 3.19Å; N174-T203 PolarHBondContact OD1-N 3.26Å
175N79.8Confident68.8Low53 Ų5375.6 Ų75.628%0.28344%0.437SS..  trans-72.5142.7171-98.1-3.5000113.5V171 L172 I177 Y204 S205V171-N175 HydrophobicContact CG1-CB 4.09Å; L172-N175 PolarHBondContact N-ND2 2.87Å; L172-N175 VanDerWaalsContact O-CB 3.25Å; L172-N175 WeakPolarHBondContact O-CB 3.4Å; L172-N175 VanDerWaalsContact O-CG 3.31Å; L172-N175 PolarHBondContact O-N 3.18Å; L172-N175 VanDerWaalsContact O-N 3.09Å; N175-I177 HydrophobicContact CB-CG1 4.4Å; N175-Y204 HydrophobicContact CB-CD1 4.26Å; N175-Y204 WeakPolarHBondContact O-CA 3.42Å; N175-S205 PolarHBondContact O-N 3Å; N175-S205 VanDerWaalsContact O-N 3.08Å
176N86.5Confident71.1Confident107 Ų10772.3 Ų72.357%0.57242%0.418SS*.EExtended strand (participates in β ladder)trans-106.6129.5166.9-172.619.2000109.4S205N176-S205 CarbonylContact C-O 3.38Å; N176-S205 WeakPolarHBondContact CA-O 3.33Å; N176-S205 WeakPolarHBondContact CA-OG 3.5Å; N176-S205 WeakPolarHBondContact CB-OG 3.32Å; N176-S205 PolarHBondContact OD1-O 2.88Å; N176-S205 VanDerWaalsContact OD1-O 3.12Å; N176-S205 PolarHBondContact OD1-OG 3.4Å
177I88.3Confident73Confident19 Ų1967.9 Ų67.910%0.09739%0.391CS..EExtended strand (participates in β ladder)trans-125.8125.2-164.4-57.6176.3000108.4V171 N175 V184 S205 I206 H207 Y283V171-I177 HydrophobicContact CG1-CD1 4.18Å; N175-I177 HydrophobicContact CB-CG1 4.4Å; I177-V184 HydrophobicContact CD1-CG2 3.83Å; I177-S205 PolarHBondContact N-O 2.82Å; I177-I206 HydrophobicContact CB-CG1 4.48Å; I177-I206 CarbonylContact O-C 3.57Å; I177-I206 WeakPolarHBondContact O-CA 3.34Å; I177-H207 PolarHBondContact O-N 3.26Å; I177-Y283 HydrophobicContact CG2-CE1 4.15Å; I177-Y283 HydrophobicContact CG2-CE2 4.37Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.43Å
178S88Confident74.6Confident89 Ų8968.6 Ų68.662%0.62239%0.391SS*.  trans-127.820.1-176.368.40000114.1H207S178-H207 WeakPolarHBondContact CA-O 3.5Å
179E88.2Confident75.4Confident131 Ų13166.3 Ų66.361%0.61238%0.375SS*.  trans-85157.4176-63.7176.7156.100110.1
180G86Confident76.1Confident35 Ų3565.3 Ų65.336%0.36138%0.378SS..SBendtrans-79.4-16.8-178.200000114.4Q284 A285G180-Q284 CarbonylContact O-C 3.58Å; G180-A285 WeakPolarHBondContact O-CB 3.28Å; G180-A285 PolarHBondContact O-N 2.8Å
181E93.6Very high76.3Confident113 Ų11364 Ų6453%0.52837%0.37SS..EExtended strand (participates in β ladder)trans-155148.4178.7-167.5-167.7158.400108.6H282 Y283 Q284E181-H282 WeakPolarHBondContact CG-NE2 3.31Å; E181-H282 IonicContact OE1-CD2 2.8Å; E181-H282 IonicContact OE1-CE1 3.63Å; E181-H282 IonicContact OE1-NE2 2.82Å; E181-H282 PolarHBondContact OE1-NE2 2.59Å; E181-Y283 CarbonylContact C-O 3.52Å; E181-Y283 VanDerWaalsContact CA-O 3.29Å; E181-Y283 WeakPolarHBondContact CA-O 3.16Å; E181-Y283 WeakPolarHBondContact CG-O 2.98Å; E181-Y283 PolarHBondContact O-OH 3.35Å; E181-Q284 HydrophobicContact CG-CB 4.06Å
182G91.8Very high76Confident13 Ų1367.9 Ų67.913%0.13440%0.397CS..EExtended strand (participates in β ladder)trans171.4-154.3169.900000113.9H282 Y283G182-H282 WeakPolarHBondContact O-CA 3.31Å; G182-H282 PolarHBondContact O-CD2 2.78Å; G182-H282 VanDerWaalsContact O-CD2 3.26Å; G182-Y283 PolarHBondContact N-O 2.95Å; G182-Y283 WeakPolarHBondContact O-CD1 3.25Å; G182-Y283 PolarHBondContact O-N 2.88Å
183Y89.9Confident75.5Confident98 Ų9867.8 Ų67.838%0.38440%0.4SS..EExtended strand (participates in β ladder)trans-130.9140.3-177.2-64.1-91.1000111R280 I281 H282Y183-R280 HydrophobicContact CD1-CG 4.16Å; Y183-I281 CarbonylContact C-O 3.31Å; Y183-I281 WeakPolarHBondContact CA-O 3.43Å; Y183-H282 HydrophobicContact CD1-CB 4.07Å; Y183-H282 HydrophobicContact CE1-CB 3.76Å; Y183-H282 AromaticContact CE1-CD2 3.75Å; Y183-H282 AromaticContact CZ-CD2 3.55Å
184V89.2Confident74.3Confident0 Ų067.6 Ų67.60%040%0.4CS..EExtended strand (participates in β ladder)trans-115.9130.4166.4-171.30000108.4I177 Y204 I206 L266 F279 I281 Y283I177-V184 HydrophobicContact CD1-CG2 3.83Å; V184-Y204 HydrophobicContact CG1-CD1 3.76Å; V184-Y204 HydrophobicContact CG1-CD2 3.85Å; V184-Y204 HydrophobicContact CG1-CE1 4.06Å; V184-Y204 HydrophobicContact CG1-CE2 4.14Å; V184-Y204 HydrophobicContact CG1-CG 3.63Å; V184-I206 HydrophobicContact CG2-CD1 3.92Å; V184-L266 HydrophobicContact CB-CD1 4.13Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.16Å; V184-F279 HydrophobicContact CG1-CE2 4.11Å; V184-I281 PolarHBondContact N-O 2.91Å; V184-I281 PolarHBondContact O-N 2.93Å; V184-Y283 HydrophobicContact CG2-CD1 4Å; V184-Y283 HydrophobicContact CG2-CE1 4.24Å
185E85.3Confident72.9Confident38 Ų3872 Ų7218%0.17841%0.409CS..EExtended strand (participates in β ladder)trans-129.9147.8-173.3-59.7-174.6-172.300110.3Y204 F279 R280E185-Y204 PolarHBondContact O-OH 3.01Å; E185-F279 WeakPolarHBondContact CA-O 3.45Å; E185-R280 VanDerWaalsContact CD-NE 3.3Å; E185-R280 HydrophobicContact CG-CB 4.34Å; E185-R280 HydrophobicContact CG-CG 4.11Å; E185-R280 IonicContact OE1-CZ 3.21Å; E185-R280 IonicContact OE1-NE 2.72Å; E185-R280 PolarHBondContact OE1-NE 2.78Å; E185-R280 IonicContact OE1-NH2 2.87Å; E185-R280 PolarHBondContact OE1-NH2 2.77Å; E185-R280 IonicContact OE2-CZ 3.61Å; E185-R280 IonicContact OE2-NE 3.81Å; E185-R280 IonicContact OE2-NH2 2.78Å; E185-R280 PolarHBondContact OE2-NH2 2.97Å
186S79Confident71.6Confident31 Ų3175.3 Ų75.322%0.21743%0.431CS..PPolyproline II helixtrans-60.3140.9172.5480000111.6D188 G278 F279S186-D188 PolarHBondContact O-N 3.49Å; S186-G278 WeakPolarHBondContact OG-CA 3.44Å; S186-F279 PolarHBondContact N-O 2.86Å; S186-F279 PolarHBondContact OG-N 3.43Å; S186-F279 VanDerWaalsContact OG-N 3.07Å; S186-F279 PolarHBondContact OG-O 2.83Å
187P74.2Confident70.1Confident27 Ų2776.2 Ų76.218%0.17544%0.435CS..PPolyproline II helixtrans-61.4124.4-172.3-24.535000114C173 L189 L200 Y204C173-P187 HydrophobicContact CB-CG 4.26Å; P187-L189 PolarHBondContact O-N 3.07Å; P187-L200 HydrophobicContact CG-CD2 4.19Å; P187-Y204 WeakPolarHBondContact CD-OH 3.36Å; P187-Y204 VanDerWaalsContact CG-OH 3.31Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å
188D62.7Low68.5Low135 Ų13577.8 Ų77.872%0.72246%0.456SS*.PPolyproline II helixtrans-82.8116.3-172.6-152.9-1.8000112.3S186 G190S186-D188 PolarHBondContact O-N 3.49Å; D188-G190 PolarHBondContact O-N 3.29Å
189L53.5Low67.5Low47 Ų4778 Ų7825%0.24645%0.45CS..THydrogen-bonded Turntrans-79.115.1-166.1-74.5173.9000115.5P187 S191 S194 V273 P274P187-L189 PolarHBondContact O-N 3.07Å; L189-S191 PolarHBondContact O-N 2.9Å; L189-S194 VanDerWaalsContact CD2-OG 3.25Å; L189-S194 WeakPolarHBondContact CD2-OG 3.42Å; L189-V273 HydrophobicContact CD1-CG1 3.39Å; L189-P274 HydrophobicContact CD1-CB 4.45Å; L189-P274 HydrophobicContact CD1-CG 4.49Å
190G50.8Low67Low62 Ų6273.1 Ų73.164%0.63943%0.428SS*.THydrogen-bonded Turntrans-62.6-26.6171.800000113.6D188D188-G190 PolarHBondContact O-N 3.29Å
191S49Very low66.8Low59 Ų5974.3 Ų74.341%0.41343%0.426SS..SBendtrans-72135.1-175.1-176.90000113.5L189 V193 S194L189-S191 PolarHBondContact O-N 2.9Å; S191-V193 PolarHBondContact O-N 2.89Å; S191-V193 VanDerWaalsContact O-N 3.13Å; S191-S194 PolarHBondContact O-N 2.82Å
192P48Very low66.3Low105 Ų10569 Ų6968%0.68240%0.401SS*.G310 helixtrans-66.6-14.7-177.327.4-35.8000114.5
193V49.9Very low66.1Low117 Ų11770.4 Ų70.471%0.70941%0.407SS*.G310 helixtrans-74.8-27.8-176.4-174.40000112.7S191 R195 T196S191-V193 PolarHBondContact O-N 2.89Å; S191-V193 VanDerWaalsContact O-N 3.13Å; V193-R195 PolarHBondContact O-N 2.69Å; V193-T196 PolarHBondContact O-OG1 2.87Å
194S48.2Very low66Low41 Ų4165.8 Ų65.829%0.28739%0.389SS..G310 helixtrans-90.82.8-167.4-158.30000114.8L189 S191 T196L189-S194 VanDerWaalsContact CD2-OG 3.25Å; L189-S194 WeakPolarHBondContact CD2-OG 3.42Å; S191-S194 PolarHBondContact O-N 2.82Å; S194-T196 VanDerWaalsContact C-N 3.27Å; S194-T196 PolarHBondContact O-N 2.63Å
195R49.8Very low66.1Low193 Ų19366.9 Ų66.973%0.72840%0.397SS*.THydrogen-bonded Turntrans-84.17.9-175.2-58.2-173.5-174.2-177.63.4115V193V193-R195 PolarHBondContact O-N 2.69Å
196T51Low66.3Low122 Ų12265.1 Ų65.175%0.74839%0.389SS*.THydrogen-bonded Turntrans-118.7-9.6-169.547.80000114.5V193 S194V193-T196 PolarHBondContact O-OG1 2.87Å; S194-T196 VanDerWaalsContact C-N 3.27Å; S194-T196 PolarHBondContact O-N 2.63Å
197L54.9Low66.9Low126 Ų12666 Ų6666%0.6639%0.389SS*.  trans-112.3126.6178.7-72.2166.5000109.5
198G56.4Low67.7Low52 Ų5265.1 Ų65.154%0.53638%0.384SS..SBendtrans-79.4-22-178.600000114.1P271 R272G198-P271 CarbonylContact O-C 3.53Å; G198-P271 VanDerWaalsContact O-O 3.07Å; G198-R272 CarbonylContact O-C 3.55Å; G198-R272 WeakPolarHBondContact O-CA 3.39Å; G198-R272 PolarHBondContact O-N 3.31Å
199L67Low68.9Low94 Ų9466.6 Ų66.649%0.49238%0.38SS..  trans-122136179.2-179.5148.5000109D201 S270L199-D201 HydrophobicContact CD2-CB 4.08Å; L199-S270 WeakPolarHBondContact CA-O 3.4Å
200L76Confident70.4Confident27 Ų2767.9 Ų67.914%0.14139%0.391CS..EExtended strand (participates in β ladder)trans-115.3125.4178.4-177.865.1000108.3P187 C202 F268 Q269 S270 P274P187-L200 HydrophobicContact CG-CD2 4.19Å; L200-C202 VanDerWaalsContact CD1-SG 3.52Å; L200-F268 HydrophobicContact CD2-CE1 4.06Å; L200-Q269 WeakPolarHBondContact O-CA 3.38Å; L200-S270 PolarHBondContact N-O 3.49Å; L200-S270 PolarHBondContact O-N 2.9Å; L200-P274 HydrophobicContact CD2-CG 4.44Å
201D81.8Confident71.9Confident61 Ų6165 Ų6533%0.32636%0.362SS..EExtended strand (participates in β ladder)trans-133.2113.6178.8-170.8-56.1000107.7C173 L199 H267 Q269C173-D201 PolarHBondContact SG-O 2.72Å; L199-D201 HydrophobicContact CD2-CB 4.08Å; D201-H267 IonicContact OD1-CE1 3.14Å; D201-H267 PolarHBondContact OD1-CE1 2.97Å; D201-H267 IonicContact OD1-ND1 2.66Å; D201-H267 IonicContact OD2-CE1 2.69Å; D201-Q269 PolarHBondContact OD2-NE2 2.79Å
202C83.9Confident73.8Confident0 Ų067 Ų670%036%0.361CS..EExtended strand (participates in β ladder)trans-132.7119.7-171.7-59.80000111.2C173 N174 L200 Y204 F268C173-C202 HydrophobicContact CB-CB 4.04Å; C173-C202 WeakPolarHBondContact CB-SG 3.45Å; C173-C202 WeakPolarHBondContact SG-CA 3.17Å; C173-C202 WeakPolarHBondContact SG-CB 3.2Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 3.37Å; N174-C202 WeakPolarHBondContact OD1-CA 3.25Å; L200-C202 VanDerWaalsContact CD1-SG 3.52Å; C202-Y204 HydrophobicContact CB-CE2 4Å; C202-F268 PolarHBondContact N-O 3.3Å; C202-F268 PolarHBondContact O-N 3.4Å
203T86.7Confident75.9Confident44 Ų4462 Ų6227%0.2733%0.328SS..EExtended strand (participates in β ladder)trans-114.4104.2177-560000109.9N174 L265 L266 H267N174-T203 WeakPolarHBondContact CA-O 3.19Å; N174-T203 PolarHBondContact OD1-N 3.26Å; T203-L265 HydrophobicContact CG2-CD2 4.08Å; T203-L266 CarbonylContact C-O 3.6Å; T203-L266 WeakPolarHBondContact CA-O 3.22Å; T203-H267 PolarHBondContact OG1-ND1 3.2Å
204Y89.2Confident77.9Confident0 Ų056.4 Ų56.40%030%0.295CS..EExtended strand (participates in β ladder)trans-86.4129.4173.9-52.2-90.8000109.4V171 L172 N175 V184 E185 P187 C202 L265 L266 F279V171-Y204 HydrophobicContact CB-CE1 4.22Å; V171-Y204 HydrophobicContact CG1-CD1 3.83Å; V171-Y204 HydrophobicContact CG1-CE1 3.67Å; L172-Y204 WeakPolarHBondContact O-CE1 3.33Å; N175-Y204 HydrophobicContact CB-CD1 4.26Å; N175-Y204 WeakPolarHBondContact O-CA 3.42Å; V184-Y204 HydrophobicContact CG1-CD1 3.76Å; V184-Y204 HydrophobicContact CG1-CD2 3.85Å; V184-Y204 HydrophobicContact CG1-CE1 4.06Å; V184-Y204 HydrophobicContact CG1-CE2 4.14Å; V184-Y204 HydrophobicContact CG1-CG 3.63Å; E185-Y204 PolarHBondContact O-OH 3.01Å; P187-Y204 WeakPolarHBondContact CD-OH 3.36Å; P187-Y204 VanDerWaalsContact CG-OH 3.31Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å; C202-Y204 HydrophobicContact CB-CE2 4Å; Y204-L265 CarbonylContact O-C 3.59Å; Y204-L265 VanDerWaalsContact O-CA 3.31Å; Y204-L265 WeakPolarHBondContact O-CA 3.44Å; Y204-L266 HydrophobicContact CD2-CB 4.34Å; Y204-L266 PolarHBondContact N-O 3.05Å; Y204-L266 PolarHBondContact O-N 3.36Å; Y204-F279 AromaticContact CE2-CZ 3.91Å; Y204-F279 HydrophobicContact CE2-CZ 3.91Å
205S89.8Confident80.1Confident24 Ų2455.6 Ų55.617%0.16829%0.286CS..EExtended strand (participates in β ladder)trans-109.9121.417459.40000110.8N175 N176 I177N175-S205 PolarHBondContact O-N 3Å; N175-S205 VanDerWaalsContact O-N 3.08Å; N176-S205 CarbonylContact C-O 3.38Å; N176-S205 WeakPolarHBondContact CA-O 3.33Å; N176-S205 WeakPolarHBondContact CA-OG 3.5Å; N176-S205 WeakPolarHBondContact CB-OG 3.32Å; N176-S205 PolarHBondContact OD1-O 2.88Å; N176-S205 VanDerWaalsContact OD1-O 3.12Å; N176-S205 PolarHBondContact OD1-OG 3.4Å; I177-S205 PolarHBondContact N-O 2.82Å
206I91.3Very high82.2Confident0 Ų046.5 Ų46.50%025%0.252CS..EExtended strand (participates in β ladder)trans-107.1125.7177.8-47.9176000108.2I177 V184 I214 R263 L264 L266 Y283I177-I206 HydrophobicContact CB-CG1 4.48Å; I177-I206 CarbonylContact O-C 3.57Å; I177-I206 WeakPolarHBondContact O-CA 3.34Å; V184-I206 HydrophobicContact CG2-CD1 3.92Å; I206-I214 HydrophobicContact CB-CG1 4.4Å; I206-I214 HydrophobicContact CG2-CG1 3.91Å; I206-I214 HydrophobicContact CG2-CG2 4.35Å; I206-R263 WeakPolarHBondContact O-CA 3.49Å; I206-L264 HydrophobicContact CB-CB 4.48Å; I206-L264 HydrophobicContact CD1-CD2 4.48Å; I206-L264 PolarHBondContact N-O 3.22Å; I206-L264 PolarHBondContact O-N 2.9Å; I206-L266 HydrophobicContact CD1-CD1 4.18Å; I206-Y283 HydrophobicContact CD1-CD1 4.1Å; I206-Y283 HydrophobicContact CD1-CD2 4.37Å; I206-Y283 HydrophobicContact CD1-CG 3.96Å; I206-Y283 HydrophobicContact CG2-CD2 3.78Å; I206-Y283 HydrophobicContact CG2-CE2 3.8Å; I206-Y283 HydrophobicContact CG2-CG 4.41Å
207H90.3Very high84.3Confident49 Ų4944.5 Ų44.523%0.22723%0.234CC..EExtended strand (participates in β ladder)trans-134.7105.3-172.2-68.7-2.1000110.9I177 S178 R263I177-H207 PolarHBondContact O-N 3.26Å; S178-H207 WeakPolarHBondContact CA-O 3.5Å; H207-R263 WeakPolarHBondContact ND1-CG 3.22Å
208V91.1Very high86.1Confident10 Ų1038.5 Ų38.56%0.06120%0.203CC..PPolyproline II helixtrans-98.5172.5179.6-60.50000111.8Y212 I214 N262 A285V208-Y212 WeakPolarHBondContact CG2-O 3.41Å; V208-I214 HydrophobicContact CG1-CD1 4.35Å; V208-I214 HydrophobicContact CG1-CG1 3.9Å; V208-I214 HydrophobicContact CG2-CD1 3.81Å; V208-I214 HydrophobicContact CG2-CG1 4.12Å; V208-N262 HydrophobicContact CG2-CB 4.04Å; V208-N262 PolarHBondContact N-O 2.86Å; V208-N262 PolarHBondContact O-ND2 2.92Å; V208-A285 HydrophobicContact CB-CB 4.36Å; V208-A285 HydrophobicContact CG1-CB 4.07Å
209Y87.9Confident87.7Confident166 Ų16639.6 Ų39.665%0.65119%0.194SC*.PPolyproline II helixtrans-58.2144.9179.7-59-73.4000112.4Y212Y209-Y212 WeakPolarHBondContact O-CB 3.32Å; Y209-Y212 PolarHBondContact O-N 3Å
210P85.2Confident88.6Confident73 Ų7338 Ų3847%0.47419%0.188SC..THydrogen-bonded Turntrans-54.9140.1173.9-25.335000112Y212 G333P210-Y212 VanDerWaalsContact C-N 3.31Å; P210-G333 WeakPolarHBondContact CA-O 3.23Å
211G83.4Confident89.2Confident3 Ų338.2 Ų38.23%0.03119%0.189CC..THydrogen-bonded Turntrans85.4-7.1-170.100000115.1L288 G333G211-L288 WeakPolarHBondContact O-CB 3.42Å; G211-L288 PolarHBondContact O-N 3.3Å; G211-G333 PolarHBondContact N-O 2.98Å
212Y89Confident89.4Confident99 Ų9940 Ų4039%0.38820%0.199SC..EExtended strand (participates in β ladder)trans-111.9151.7169.7-66.1-101.2000110.8V208 Y209 P210 N262 A285 Y286 L287 L288V208-Y212 WeakPolarHBondContact CG2-O 3.41Å; Y209-Y212 WeakPolarHBondContact O-CB 3.32Å; Y209-Y212 PolarHBondContact O-N 3Å; P210-Y212 VanDerWaalsContact C-N 3.31Å; Y212-N262 WeakPolarHBondContact O-CA 3.32Å; Y212-N262 WeakPolarHBondContact O-CB 3.31Å; Y212-A285 HydrophobicContact CD1-CB 4.23Å; Y212-Y286 CarbonylContact C-O 3.58Å; Y212-Y286 VanDerWaalsContact CA-O 3.22Å; Y212-Y286 WeakPolarHBondContact CA-O 3.41Å; Y212-Y286 WeakPolarHBondContact CB-O 3.34Å; Y212-L287 HydrophobicContact CD1-CD1 4.15Å; Y212-L287 HydrophobicContact CD2-CD1 4.38Å; Y212-L287 HydrophobicContact CE1-CB 4.4Å; Y212-L287 HydrophobicContact CE1-CD1 3.76Å; Y212-L287 HydrophobicContact CE2-CD1 4Å; Y212-L287 HydrophobicContact CG-CD1 4.44Å; Y212-L288 VanDerWaalsContact C-CD1 3.46Å; Y212-L288 VanDerWaalsContact O-CD1 3.3Å; Y212-L288 WeakPolarHBondContact O-CD1 3.42Å
213G90.3Very high89.3Confident0 Ų041.9 Ų41.90%021%0.209CC..EExtended strand (participates in β ladder)trans-115.8172.9170.900000110.1A285 Y286G213-A285 CarbonylContact O-C 3.56Å; G213-A285 WeakPolarHBondContact O-CA 3.45Å; G213-Y286 VanDerWaalsContact C-CD1 3.49Å; G213-Y286 PolarHBondContact N-O 2.77Å; G213-Y286 WeakPolarHBondContact O-CD1 3.32Å; G213-Y286 PolarHBondContact O-N 3.35Å
214I93.4Very high88.9Confident0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-103.3117.4177.6-55.983.9000108.1I206 V208 I216 S259 N262 L264 Y283I206-I214 HydrophobicContact CB-CG1 4.4Å; I206-I214 HydrophobicContact CG2-CG1 3.91Å; I206-I214 HydrophobicContact CG2-CG2 4.35Å; V208-I214 HydrophobicContact CG1-CD1 4.35Å; V208-I214 HydrophobicContact CG1-CG1 3.9Å; V208-I214 HydrophobicContact CG2-CD1 3.81Å; V208-I214 HydrophobicContact CG2-CG1 4.12Å; I214-I216 HydrophobicContact CG2-CG2 3.87Å; I214-S259 PolarHBondContact N-OG 3.44Å; I214-S259 PolarHBondContact O-N 2.82Å; I214-S259 PolarHBondContact O-OG 3.42Å; I214-N262 VanDerWaalsContact CD1-C 3.44Å; I214-L264 HydrophobicContact CB-CB 4.19Å; I214-L264 HydrophobicContact CB-CD2 4.37Å; I214-L264 HydrophobicContact CD1-CB 4.05Å; I214-L264 HydrophobicContact CG1-CB 4.24Å; I214-L264 HydrophobicContact CG2-CD2 4.1Å; I214-Y283 HydrophobicContact CG2-CD2 4.26Å; I214-Y283 HydrophobicContact CG2-CG 4.49Å
215E94.3Very high88.1Confident24 Ų2452.8 Ų52.811%0.11226%0.264CS..EExtended strand (participates in β ladder)trans-87132.7160.4-175.9172.873.900107.6V256 L257 R258 Y283 Q284 Y286E215-V256 HydrophobicContact CG-CG1 3.57Å; E215-L257 CarbonylContact C-O 3.35Å; E215-L257 WeakPolarHBondContact CA-O 3.43Å; E215-R258 HydrophobicContact CB-CG 4.13Å; E215-R258 HydrophobicContact CG-CG 3.99Å; E215-R258 IonicContact OE2-CZ 3.07Å; E215-R258 IonicContact OE2-NE 3.95Å; E215-R258 PolarHBondContact OE2-NE 2.82Å; E215-R258 IonicContact OE2-NH2 2.9Å; E215-R258 PolarHBondContact OE2-NH2 3.26Å; E215-Y283 CarbonylContact O-C 3.46Å; E215-Y283 VanDerWaalsContact O-CA 3.27Å; E215-Y283 WeakPolarHBondContact O-CA 3.41Å; E215-Q284 HydrophobicContact CB-CG 4.1Å; E215-Q284 PolarHBondContact N-O 3.21Å; E215-Q284 PolarHBondContact O-N 3.05Å; E215-Q284 PolarHBondContact OE1-NE2 3.25Å; E215-Y286 HydrophobicContact CB-CD1 3.99Å
216I94.5Very high87.4Confident2 Ų256.1 Ų56.11%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-114.9141.1170.761.4167.7000110.2I214 V231 V256 L257 L264 L266 I281 H282I214-I216 HydrophobicContact CG2-CG2 3.87Å; I216-V231 HydrophobicContact CD1-CG1 3.81Å; I216-V231 HydrophobicContact CD1-CG2 4.06Å; I216-V256 CarbonylContact O-C 3.59Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.06Å; I216-L257 HydrophobicContact CD1-CB 4.28Å; I216-L257 HydrophobicContact CD1-CD1 4.33Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.88Å; I216-L257 PolarHBondContact O-N 2.83Å; I216-L264 HydrophobicContact CD1-CD2 4.28Å; I216-L264 HydrophobicContact CG2-CD2 3.46Å; I216-L264 VanDerWaalsContact CG2-CD2 3.46Å; I216-L266 HydrophobicContact CD1-CD2 4.3Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.39Å; I216-I281 HydrophobicContact CG2-CG2 3.98Å; I216-H282 CarbonylContact C-O 3.59Å; I216-H282 WeakPolarHBondContact CA-O 3.34Å
217Q94.4Very high87Confident80 Ų8056.8 Ų56.837%0.37428%0.28SS..EExtended strand (participates in β ladder)trans-120.8119.5169.4-174.517621.800109.3Q219 Q255 V256 I281 H282Q217-Q219 PolarHBondContact O-N 2.85Å; Q217-Q255 WeakPolarHBondContact CA-O 3.43Å; Q217-V256 HydrophobicContact CB-CG2 4.28Å; Q217-V256 HydrophobicContact CG-CG2 4.02Å; Q217-I281 WeakPolarHBondContact O-CA 3.25Å; Q217-H282 PolarHBondContact N-O 3.21Å; Q217-H282 PolarHBondContact O-N 2.94Å
218V92.9Very high86.8Confident1 Ų158.5 Ų58.51%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-71.3114174.5-178.20000108.4L221 L251 G252 G254 Q255 I281V218-L221 HydrophobicContact CG1-CB 3.75Å; V218-L221 HydrophobicContact CG1-CD2 4.44Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; V218-L251 HydrophobicContact CG2-CD2 4Å; V218-G252 VanDerWaalsContact CB-O 3.32Å; V218-G252 WeakPolarHBondContact CB-O 3.34Å; V218-G252 WeakPolarHBondContact CG1-O 3.41Å; V218-G254 WeakPolarHBondContact O-CA 3.41Å; V218-G254 PolarHBondContact O-N 2.97Å; V218-Q255 HydrophobicContact CG2-CB 4.34Å; V218-Q255 PolarHBondContact N-O 2.92Å; V218-I281 HydrophobicContact CG2-CG1 4.43Å
219Q89.6Confident86.7Confident75 Ų7558 Ų5835%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-91.1-44.9178.8-67.8-164.9-23.800112.2Q217 R280 H282Q217-Q219 PolarHBondContact O-N 2.85Å; Q219-R280 HydrophobicContact CB-CG 4.26Å; Q219-R280 PolarHBondContact N-O 2.88Å; Q219-R280 VanDerWaalsContact OE1-CD 3.32Å; Q219-H282 HydrophobicContact CG-CB 4.22Å
220T86.4Confident86.8Confident59 Ų5951.7 Ų51.736%0.36226%0.262SS..EExtended strand (participates in β ladder)trans-138.5139.817361.30000110.6E253 F279 R280T220-E253 WeakPolarHBondContact CA-OE1 3.44Å; T220-F279 CarbonylContact O-C 3.43Å; T220-F279 VanDerWaalsContact O-CA 3.28Å; T220-F279 WeakPolarHBondContact O-CA 3.47Å; T220-R280 PolarHBondContact N-O 3.21Å; T220-R280 PolarHBondContact O-N 2.88Å; T220-R280 WeakPolarHBondContact OG1-CB 3.48Å; T220-R280 PolarHBondContact OG1-N 2.88Å
221L88.3Confident87.1Confident32 Ų3248.2 Ų48.217%0.16824%0.24CC..EExtended strand (participates in β ladder)trans-145.797.5-177.9-172.273.8000111.3V218 L223 L229 L251 E253 F279V218-L221 HydrophobicContact CG1-CB 3.75Å; V218-L221 HydrophobicContact CG1-CD2 4.44Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; L221-L223 HydrophobicContact CD1-CD1 3.88Å; L221-L223 HydrophobicContact CD1-CD2 4.48Å; L221-L223 HydrophobicContact CD1-CG 3.89Å; L221-L223 HydrophobicContact CG-CG 4.37Å; L221-L229 HydrophobicContact CD1-CD2 3.97Å; L221-L251 VanDerWaalsContact CD2-C 3.45Å; L221-L251 HydrophobicContact CD2-CB 3.56Å; L221-L251 WeakPolarHBondContact CD2-O 3.04Å; L221-E253 HydrophobicContact CB-CG 4.16Å; L221-E253 PolarHBondContact N-OE1 3.11Å; L221-F279 HydrophobicContact CD1-CB 4.02Å
222N84.7Confident87.3Confident99 Ų9949.3 Ų49.353%0.52925%0.245SC..EExtended strand (participates in β ladder)trans-124.976.4180-177.521.2000109.6G276 G277 G278N222-G276 PolarHBondContact ND2-O 3.36Å; N222-G277 CarbonylContact O-C 3.58Å; N222-G277 VanDerWaalsContact O-C 3.31Å; N222-G277 WeakPolarHBondContact O-CA 3.36Å; N222-G278 PolarHBondContact N-O 3.17Å; N222-G278 PolarHBondContact O-N 3.12Å
223L82.3Confident87.1Confident39 Ų3945 Ų4520%0.20423%0.229CC..  trans-97.6143.5179.3-56.3-176.9000110.9L221 E227 L229 F268 F279L221-L223 HydrophobicContact CD1-CD1 3.88Å; L221-L223 HydrophobicContact CD1-CD2 4.48Å; L221-L223 HydrophobicContact CD1-CG 3.89Å; L221-L223 HydrophobicContact CG-CG 4.37Å; L223-E227 HydrophobicContact CB-CB 4.24Å; L223-L229 HydrophobicContact CD1-CB 3.69Å; L223-L229 HydrophobicContact CD1-CD2 4.35Å; L223-F268 HydrophobicContact CD2-CE2 3.95Å; L223-F279 HydrophobicContact CD2-CD1 4.43Å
224S78.6Confident86.2Confident64 Ų6445.4 Ų45.445%0.44823%0.234SC..  trans-79.9166.2171.669.50000112.5E226 E227S224-E226 PolarHBondContact O-N 3.47Å; S224-E226 VanDerWaalsContact O-N 3.08Å; S224-E227 VanDerWaalsContact CB-OE2 3.25Å; S224-E227 WeakPolarHBondContact CB-OE2 3.33Å; S224-E227 PolarHBondContact N-OE2 3.09Å; S224-E227 PolarHBondContact O-N 2.04Å; S224-E227 VanDerWaalsContact OG-CD 3.26Å; S224-E227 WeakPolarHBondContact OG-CG 2.93Å; S224-E227 PolarHBondContact OG-OE2 3.01Å
225Q72.2Confident84.7Confident210 Ų21046.4 Ų46.498%0.98124%0.244SC*.THydrogen-bonded Turntrans-65.3-9.6-179.8-69.5-175.4-21.100114.8
226E75.3Confident82.9Confident93 Ų9347.8 Ų47.844%0.43527%0.265SS..THydrogen-bonded Turntrans-104.72.9175.5-64.1-179.1-143.200112.1S224 P271 R272S224-E226 PolarHBondContact O-N 3.47Å; S224-E226 VanDerWaalsContact O-N 3.08Å; E226-P271 HydrophobicContact CB-CG 3.85Å; E226-P271 WeakPolarHBondContact O-CD 3.2Å; E226-P271 WeakPolarHBondContact O-CG 3.43Å; E226-R272 IonicContact OE1-CZ 3.01Å; E226-R272 IonicContact OE1-NE 3.74Å; E226-R272 IonicContact OE1-NH1 3.26Å; E226-R272 PolarHBondContact OE1-NH1 2.83Å; E226-R272 IonicContact OE1-NH2 2.74Å; E226-R272 PolarHBondContact OE1-NH2 2.8Å; E226-R272 IonicContact OE2-CZ 2.94Å; E226-R272 IonicContact OE2-NE 2.88Å; E226-R272 PolarHBondContact OE2-NE 3.04Å; E226-R272 IonicContact OE2-NH1 3.85Å; E226-R272 IonicContact OE2-NH2 3.9Å; E226-R272 PolarHBondContact OE2-NH2 2.93Å
227E82.6Confident80.7Confident14 Ų1451.8 Ų51.87%0.06529%0.293CS..  trans-107.5133.6-176.9-79.8168.514000112L223 S224 F268 S270 P274L223-E227 HydrophobicContact CB-CB 4.24Å; S224-E227 VanDerWaalsContact CB-OE2 3.25Å; S224-E227 WeakPolarHBondContact CB-OE2 3.33Å; S224-E227 PolarHBondContact N-OE2 3.09Å; S224-E227 PolarHBondContact O-N 2.04Å; S224-E227 VanDerWaalsContact OG-CD 3.26Å; S224-E227 WeakPolarHBondContact OG-CG 2.93Å; S224-E227 PolarHBondContact OG-OE2 3.01Å; E227-F268 HydrophobicContact CB-CE2 4.26Å; E227-F268 HydrophobicContact CG-CE2 4.37Å; E227-F268 HydrophobicContact CG-CZ 4.44Å; E227-S270 WeakPolarHBondContact CG-OG 3.33Å; E227-S270 WeakPolarHBondContact OE1-CB 3.45Å; E227-S270 PolarHBondContact OE1-OG 3.08Å; E227-P274 WeakPolarHBondContact OE1-CG 3.29Å
228E85.9Confident78.4Confident86 Ų8654.8 Ų54.840%0.40232%0.319SS..EExtended strand (participates in β ladder)trans-119.3138.4-180-171.4165.5-142.100111.2L230 F268 Q269E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.02Å; E228-F268 WeakPolarHBondContact O-CA 3.33Å; E228-F268 WeakPolarHBondContact O-CD2 3.43Å; E228-Q269 PolarHBondContact N-O 2.98Å; E228-Q269 PolarHBondContact O-N 2.87Å
229L88.8Confident76.6Confident0 Ų058.7 Ų58.70%036%0.36CS..EExtended strand (participates in β ladder)trans-131.9117.6174.3178.462.6000108.5L221 L223 N247 S248 L251 H267 F268 F279 I281L221-L229 HydrophobicContact CD1-CD2 3.97Å; L223-L229 HydrophobicContact CD1-CB 3.69Å; L223-L229 HydrophobicContact CD1-CD2 4.35Å; L229-N247 CarbonylContact O-C 3.46Å; L229-S248 PolarHBondContact O-N 2.85Å; L229-L251 HydrophobicContact CB-CD1 4.49Å; L229-L251 HydrophobicContact CD2-CD1 3.91Å; L229-L251 HydrophobicContact CG-CD1 4.05Å; L229-H267 CarbonylContact C-O 3.55Å; L229-H267 WeakPolarHBondContact CA-O 3.46Å; L229-F268 HydrophobicContact CB-CD2 4.48Å; L229-F268 HydrophobicContact CD1-CB 4.04Å; L229-F279 HydrophobicContact CD1-CE1 4.18Å; L229-F279 HydrophobicContact CD1-CZ 4.27Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.15Å; L229-F279 HydrophobicContact CD2-CD2 4.45Å; L229-F279 HydrophobicContact CD2-CG 4.08Å; L229-I281 HydrophobicContact CD2-CD1 4.19Å
230L90.3Very high75.2Confident32 Ų3261.1 Ų61.117%0.16838%0.375CS..EExtended strand (participates in β ladder)trans-112.9131.1-179.2-57.8-178.5000110.7E228 L232 L244 N247 L266 H267E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.02Å; L230-L232 HydrophobicContact CB-CG 4.27Å; L230-L244 HydrophobicContact CB-CD1 4.18Å; L230-L244 HydrophobicContact CD2-CD1 4.04Å; L230-N247 HydrophobicContact CD2-CB 3.77Å; L230-L266 WeakPolarHBondContact O-CA 3.42Å; L230-H267 HydrophobicContact CB-CB 4.41Å; L230-H267 PolarHBondContact N-O 3.46Å; L230-H267 PolarHBondContact O-N 2.84Å
231V91.3Very high74.1Confident1 Ų162.6 Ų62.61%0.00639%0.393CS..EExtended strand (participates in β ladder)trans-102.4114.3175.2-177.70000108.1I216 L245 A246 L251 L257 L264 L266I216-V231 HydrophobicContact CD1-CG1 3.81Å; I216-V231 HydrophobicContact CD1-CG2 4.06Å; V231-L245 HydrophobicContact CB-CB 4.48Å; V231-L245 HydrophobicContact CG1-CB 4.13Å; V231-L245 HydrophobicContact CG1-CD1 4.26Å; V231-L245 PolarHBondContact O-N 3.29Å; V231-A246 HydrophobicContact CB-CB 4.26Å; V231-A246 HydrophobicContact CG2-CB 4.41Å; V231-A246 PolarHBondContact N-O 3.27Å; V231-A246 PolarHBondContact O-N 2.78Å; V231-L251 HydrophobicContact CG2-CD1 3.98Å; V231-L251 HydrophobicContact CG2-CD2 4.06Å; V231-L257 HydrophobicContact CG1-CD1 4.4Å; V231-L257 HydrophobicContact CG2-CD1 4.47Å; V231-L264 HydrophobicContact CG1-CD1 3.73Å; V231-L264 HydrophobicContact CG1-CD2 4.43Å; V231-L266 HydrophobicContact CB-CD2 4.32Å; V231-L266 HydrophobicContact CG1-CD2 4.15Å; V231-L266 HydrophobicContact CG2-CD2 3.87Å
232L89.1Confident73.6Confident26 Ų2664.2 Ų64.214%0.13641%0.406CS..EExtended strand (participates in β ladder)trans-124.2122.2-166.4-67.1173000110.9L230 P242 R243 L244 L264 L265 H267L230-L232 HydrophobicContact CB-CG 4.27Å; L232-P242 HydrophobicContact CB-CB 4.23Å; L232-P242 HydrophobicContact CD1-CG 4.5Å; L232-R243 CarbonylContact C-O 3.59Å; L232-R243 WeakPolarHBondContact CA-O 3.29Å; L232-L244 HydrophobicContact CD2-CB 4.32Å; L232-L244 HydrophobicContact CD2-CD1 3.89Å; L232-L264 WeakPolarHBondContact O-CD1 3.11Å; L232-L265 HydrophobicContact CB-CB 3.98Å; L232-L265 PolarHBondContact N-O 2.97Å; L232-L265 PolarHBondContact O-N 2.85Å; L232-H267 HydrophobicContact CD1-CB 4.18Å
233A84.5Confident73.6Confident7 Ų767.2 Ų67.26%0.05841%0.41CS..EExtended strand (participates in β ladder)trans-77123.9170.400000110.7P242 R243 L245 P260A233-P242 CarbonylContact O-C 3.54Å; A233-P242 VanDerWaalsContact O-CA 3.29Å; A233-P242 WeakPolarHBondContact O-CA 3.27Å; A233-P242 WeakPolarHBondContact O-CB 3.07Å; A233-R243 HydrophobicContact CB-CB 4.41Å; A233-R243 PolarHBondContact N-O 2.69Å; A233-R243 PolarHBondContact O-N 2.74Å; A233-L245 HydrophobicContact CB-CD1 4.07Å; A233-L245 HydrophobicContact CB-CD2 4.03Å; A233-L245 HydrophobicContact CB-CG 4.06Å; A233-P260 HydrophobicContact CB-CG 4.06Å
234G71.8Confident73.8Confident10 Ų1069.8 Ų69.810%0.10342%0.423CS..EExtended strand (participates in β ladder)trans-101.5161.8171.600000112T261 R263G234-T261 WeakPolarHBondContact O-CB 3.42Å; G234-T261 WeakPolarHBondContact O-CG2 3.33Å; G234-T261 PolarHBondContact O-OG1 3.13Å; G234-R263 PolarHBondContact N-O 3.32Å
235G61.3Low74.3Confident20 Ų2068.7 Ų68.721%0.20641%0.412CS..  trans95.933.1167.500000117.1T334G235-T334 PolarHBondContact O-OG1 3.38Å
236G55.6Low75Confident54 Ų5458.7 Ų58.756%0.55737%0.365SS*.SBendtrans-70.5-178.9147.600000111.5
237S49Very low75.7Confident86 Ų8656.3 Ų56.360%0.60136%0.355SS*.SBendtrans-53.5147.2178.6-51.30000112.5G239 L240S237-G239 PolarHBondContact O-N 2.66Å; S237-L240 PolarHBondContact O-N 2.75Å
238P45.2Very low75.7Confident142 Ų14257.5 Ų57.592%0.92237%0.365SS*.THydrogen-bonded Turntrans-59.6109.4-17423.9-34.4000111.6
239G55.1Low75.6Confident84 Ų8458.2 Ų58.287%0.86638%0.38SS*.THydrogen-bonded Turntrans129.5-20.7-175.200000114.2S237S237-G239 PolarHBondContact O-N 2.66Å
240L60.4Low75.3Confident126 Ų12664 Ų6466%0.6641%0.408SS*.PPolyproline II helixtrans-76.2135.2175.5-81.4141.1000112.3S237S237-L240 PolarHBondContact O-N 2.75Å
241A65.1Low75Confident89 Ų8963.2 Ų63.274%0.73640%0.404SS*.PPolyproline II helixtrans-65.7150.5172.500000111.6
242P76.1Confident74.8Confident67 Ų6764.5 Ų64.544%0.43542%0.418SS..PPolyproline II helixtrans-66.6139.4178.128.3-35000111.7L232 A233L232-P242 HydrophobicContact CB-CB 4.23Å; L232-P242 HydrophobicContact CD1-CG 4.5Å; A233-P242 CarbonylContact O-C 3.54Å; A233-P242 VanDerWaalsContact O-CA 3.29Å; A233-P242 WeakPolarHBondContact O-CA 3.27Å; A233-P242 WeakPolarHBondContact O-CB 3.07Å
243R84.4Confident74.8Confident162 Ų16269.4 Ų69.461%0.61144%0.44SS*.EExtended strand (participates in β ladder)trans-86.7127.2-178.3172.6177.9173.1-179-1.1110.6L232 A233 L245L232-R243 CarbonylContact C-O 3.59Å; L232-R243 WeakPolarHBondContact CA-O 3.29Å; A233-R243 HydrophobicContact CB-CB 4.41Å; A233-R243 PolarHBondContact N-O 2.69Å; A233-R243 PolarHBondContact O-N 2.74Å; R243-L245 PolarHBondContact O-N 2.72Å
244L87.7Confident75Confident92 Ų9271.2 Ų71.248%0.48246%0.459SS..EExtended strand (participates in β ladder)trans-63.8129.2170.7-171.366.5000111.1L230 L232 A246L230-L244 HydrophobicContact CB-CD1 4.18Å; L230-L244 HydrophobicContact CD2-CD1 4.04Å; L232-L244 HydrophobicContact CD2-CB 4.32Å; L232-L244 HydrophobicContact CD2-CD1 3.89Å; L244-A246 VanDerWaalsContact CD1-O 3.31Å; L244-A246 WeakPolarHBondContact CD1-O 3.1Å
245L88.3Confident75.9Confident41 Ų4174.6 Ų74.622%0.21547%0.473CS..EExtended strand (participates in β ladder)trans-104-41.3172.7-58.8-176.4000111.5V231 A233 R243 P260 L264V231-L245 HydrophobicContact CB-CB 4.48Å; V231-L245 HydrophobicContact CG1-CB 4.13Å; V231-L245 HydrophobicContact CG1-CD1 4.26Å; V231-L245 PolarHBondContact O-N 3.29Å; A233-L245 HydrophobicContact CB-CD1 4.07Å; A233-L245 HydrophobicContact CB-CD2 4.03Å; A233-L245 HydrophobicContact CB-CG 4.06Å; R243-L245 PolarHBondContact O-N 2.72Å; L245-P260 HydrophobicContact CD2-CG 4.41Å; L245-L264 HydrophobicContact CD1-CD1 3.93Å
246A88.4Confident77.4Confident1 Ų176.3 Ų76.31%0.00848%0.479CS..EExtended strand (participates in β ladder)trans-156.3151.8176.200000111.2V231 L244 M250 L251 L257V231-A246 HydrophobicContact CB-CB 4.26Å; V231-A246 HydrophobicContact CG2-CB 4.41Å; V231-A246 PolarHBondContact N-O 3.27Å; V231-A246 PolarHBondContact O-N 2.78Å; L244-A246 VanDerWaalsContact CD1-O 3.31Å; L244-A246 WeakPolarHBondContact CD1-O 3.1Å; A246-M250 HydrophobicContact CB-CB 4.05Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.24Å; A246-L257 HydrophobicContact CB-CD1 3.51Å
247N88.1Confident79.1Confident42 Ų4275.6 Ų75.623%0.22546%0.462CS..  trans-110.4179.1168.970.8-3.9000110.6L229 L230 S249 M250 L251L229-N247 CarbonylContact O-C 3.46Å; L230-N247 HydrophobicContact CD2-CB 3.77Å; N247-S249 VanDerWaalsContact CG-OG 3.31Å; N247-S249 PolarHBondContact ND2-OG 2.96Å; N247-S249 VanDerWaalsContact ND2-OG 3.13Å; N247-S249 PolarHBondContact O-N 2.83Å; N247-S249 VanDerWaalsContact O-N 3.14Å; N247-S249 PolarHBondContact OD1-N 2.87Å; N247-S249 PolarHBondContact OD1-OG 3.48Å; N247-M250 PolarHBondContact O-N 3.35Å; N247-M250 WeakPolarHBondContact OD1-CG 3.38Å; N247-M250 PolarHBondContact OD1-N 2.85Å; N247-M250 VanDerWaalsContact OD1-N 3.11Å; N247-L251 WeakPolarHBondContact O-CG 3.41Å; N247-L251 PolarHBondContact O-N 3.08Å
248S83.5Confident81.2Confident40 Ų4078.5 Ų78.528%0.2846%0.46SS..G310 helixtrans-56.4-29.7180530000114.4L229L229-S248 PolarHBondContact O-N 2.85Å
249S83Confident83.3Confident101 Ų10171.8 Ų71.871%0.70642%0.417SS*.G310 helixtrans-79.4-14.5176.362.10000115N247N247-S249 VanDerWaalsContact CG-OG 3.31Å; N247-S249 PolarHBondContact ND2-OG 2.96Å; N247-S249 VanDerWaalsContact ND2-OG 3.13Å; N247-S249 PolarHBondContact O-N 2.83Å; N247-S249 VanDerWaalsContact O-N 3.14Å; N247-S249 PolarHBondContact OD1-N 2.87Å; N247-S249 PolarHBondContact OD1-OG 3.48Å
250M83Confident84.8Confident120 Ų12069.7 Ų69.759%0.59139%0.387SS*.G310 helixtrans-101.1-0.8177.4-67.8175.570.600112.8A246 N247A246-M250 HydrophobicContact CB-CB 4.05Å; N247-M250 PolarHBondContact O-N 3.35Å; N247-M250 WeakPolarHBondContact OD1-CG 3.38Å; N247-M250 PolarHBondContact OD1-N 2.85Å; N247-M250 VanDerWaalsContact OD1-N 3.11Å
251L85.3Confident86.2Confident16 Ų1664.2 Ų64.28%0.08436%0.359CS..  trans-103.1143.3178.2-64.3167.8000109.9V218 L221 L229 V231 A246 N247 L257V218-L251 HydrophobicContact CG2-CD2 4Å; L221-L251 VanDerWaalsContact CD2-C 3.45Å; L221-L251 HydrophobicContact CD2-CB 3.56Å; L221-L251 WeakPolarHBondContact CD2-O 3.04Å; L229-L251 HydrophobicContact CB-CD1 4.49Å; L229-L251 HydrophobicContact CD2-CD1 3.91Å; L229-L251 HydrophobicContact CG-CD1 4.05Å; V231-L251 HydrophobicContact CG2-CD1 3.98Å; V231-L251 HydrophobicContact CG2-CD2 4.06Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.24Å; N247-L251 WeakPolarHBondContact O-CG 3.41Å; N247-L251 PolarHBondContact O-N 3.08Å; L251-L257 HydrophobicContact CD2-CD1 3.6Å
252G87.1Confident87.3Confident29 Ų2960.5 Ų60.530%0.29933%0.327SS..  trans-157.3162.317600000110.2V218 G254 Q255V218-G252 VanDerWaalsContact CB-O 3.32Å; V218-G252 WeakPolarHBondContact CB-O 3.34Å; V218-G252 WeakPolarHBondContact CG1-O 3.41Å; G252-G254 PolarHBondContact O-N 3.21Å; G252-Q255 WeakPolarHBondContact O-CB 3.39Å; G252-Q255 PolarHBondContact O-N 3.04Å
253E88.5Confident87.9Confident128 Ų12862.5 Ų62.560%0.59833%0.326SS*.THydrogen-bonded Turntrans-63.2132.9-179.4-59-171.1156.400110.9T220 L221 Q255T220-E253 WeakPolarHBondContact CA-OE1 3.44Å; L221-E253 HydrophobicContact CB-CG 4.16Å; L221-E253 PolarHBondContact N-OE1 3.11Å; E253-Q255 VanDerWaalsContact C-N 3.31Å
254G87.5Confident88.3Confident45 Ų4554.9 Ų54.946%0.46430%0.297SS..THydrogen-bonded Turntrans82.7-7.8-171.100000115.4V218 G252 V256V218-G254 WeakPolarHBondContact O-CA 3.41Å; V218-G254 PolarHBondContact O-N 2.97Å; G252-G254 PolarHBondContact O-N 3.21Å; G254-V256 PolarHBondContact O-N 3.14Å
255Q90.9Very high88.4Confident82 Ų8252.4 Ų52.438%0.38329%0.285SS..  trans-64.7131.7178.1-175.959.35000111.1Q217 V218 G252 E253 L257Q217-Q255 WeakPolarHBondContact CA-O 3.43Å; V218-Q255 HydrophobicContact CG2-CB 4.34Å; V218-Q255 PolarHBondContact N-O 2.92Å; G252-Q255 WeakPolarHBondContact O-CB 3.39Å; G252-Q255 PolarHBondContact O-N 3.04Å; E253-Q255 VanDerWaalsContact C-N 3.31Å; Q255-L257 HydrophobicContact CG-CG 4.36Å
256V92.8Very high88.5Confident56 Ų5650.5 Ų50.534%0.33927%0.274SS..EExtended strand (participates in β ladder)trans-108.5137.6174.3-179.60000109.7E215 I216 Q217 G254E215-V256 HydrophobicContact CG-CG1 3.57Å; I216-V256 CarbonylContact O-C 3.59Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.06Å; Q217-V256 HydrophobicContact CB-CG2 4.28Å; Q217-V256 HydrophobicContact CG-CG2 4.02Å; G254-V256 PolarHBondContact O-N 3.14Å
257L92.6Very high88.6Confident39 Ų3952.4 Ų52.420%0.20428%0.283CS..EExtended strand (participates in β ladder)trans-136.7147.2174.5-63.9171.1000109.9E215 I216 V231 A246 L251 Q255E215-L257 CarbonylContact C-O 3.35Å; E215-L257 WeakPolarHBondContact CA-O 3.43Å; I216-L257 HydrophobicContact CD1-CB 4.28Å; I216-L257 HydrophobicContact CD1-CD1 4.33Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.88Å; I216-L257 PolarHBondContact O-N 2.83Å; V231-L257 HydrophobicContact CG1-CD1 4.4Å; V231-L257 HydrophobicContact CG2-CD1 4.47Å; A246-L257 HydrophobicContact CB-CD1 3.51Å; L251-L257 HydrophobicContact CD2-CD1 3.6Å; Q255-L257 HydrophobicContact CG-CG 4.36Å
258R92Very high88.6Confident147 Ų14750.5 Ų50.556%0.55527%0.273SS*.EExtended strand (participates in β ladder)trans-120129.2179.5-72.2-177.9-179.3-170.3-7.1110.7E215 Y286E215-R258 HydrophobicContact CB-CG 4.13Å; E215-R258 HydrophobicContact CG-CG 3.99Å; E215-R258 IonicContact OE2-CZ 3.07Å; E215-R258 IonicContact OE2-NE 3.95Å; E215-R258 PolarHBondContact OE2-NE 2.82Å; E215-R258 IonicContact OE2-NH2 2.9Å; E215-R258 PolarHBondContact OE2-NH2 3.26Å; R258-Y286 HydrophobicContact CB-CE1 3.72Å; R258-Y286 HydrophobicContact CG-CD1 4.31Å; R258-Y286 HydrophobicContact CG-CE1 3.91Å
259S90.3Very high88.7Confident1 Ų152 Ų521%0.00728%0.275CS..  trans-77.8130.1174.968.10000110.7I214 T261 Y286I214-S259 PolarHBondContact N-OG 3.44Å; I214-S259 PolarHBondContact O-N 2.82Å; I214-S259 PolarHBondContact O-OG 3.42Å; S259-T261 PolarHBondContact O-N 2.78Å; S259-T261 PolarHBondContact OG-O 2.88Å; S259-Y286 PolarHBondContact O-OH 2.91Å
260P86.9Confident88.5Confident39 Ų3947.2 Ų47.225%0.25324%0.242SC..SBendtrans-72.110.1177.832.7-37.5000113.4A233 L245 R335A233-P260 HydrophobicContact CB-CG 4.06Å; L245-P260 HydrophobicContact CD2-CG 4.41Å; P260-R335 WeakPolarHBondContact O-CG 3.19Å
261T88.9Confident88Confident12 Ų1244 Ų447%0.07423%0.23CC..SBendtrans-148.1161.4-174.355.90000111.2G234 S259 R263 T334 R335G234-T261 WeakPolarHBondContact O-CB 3.42Å; G234-T261 WeakPolarHBondContact O-CG2 3.33Å; G234-T261 PolarHBondContact O-OG1 3.13Å; S259-T261 PolarHBondContact O-N 2.78Å; S259-T261 PolarHBondContact OG-O 2.88Å; T261-R263 PolarHBondContact O-N 3.25Å; T261-R263 VanDerWaalsContact O-N 3.08Å; T261-R263 PolarHBondContact OG1-O 2.93Å; T261-R263 VanDerWaalsContact OG1-O 3.1Å; T261-T334 CarbonylContact C-O 3.55Å; T261-T334 WeakPolarHBondContact CA-O 3.42Å; T261-R335 HydrophobicContact CG2-CB 4.32Å
262N88.3Confident87.2Confident11 Ų1150.7 Ų50.76%0.05925%0.254CS..SBendtrans-72.210.3174.986.3-47.1000115.3V208 Y212 I214 T334V208-N262 HydrophobicContact CG2-CB 4.04Å; V208-N262 PolarHBondContact N-O 2.86Å; V208-N262 PolarHBondContact O-ND2 2.92Å; Y212-N262 WeakPolarHBondContact O-CA 3.32Å; Y212-N262 WeakPolarHBondContact O-CB 3.31Å; I214-N262 VanDerWaalsContact CD1-C 3.44Å; N262-T334 PolarHBondContact N-O 3.01Å; N262-T334 VanDerWaalsContact OD1-CA 3.26Å; N262-T334 WeakPolarHBondContact OD1-CA 3.4Å; N262-T334 VanDerWaalsContact OD1-CB 3.29Å; N262-T334 WeakPolarHBondContact OD1-CB 3.46Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.49Å
263R89.4Confident86Confident109 Ų10953 Ų5341%0.41126%0.263SS..EExtended strand (participates in β ladder)trans-137123.6179.1-60.5-173.3177.9-176.1-0.9111.5I206 H207 G234 T261I206-R263 WeakPolarHBondContact O-CA 3.49Å; H207-R263 WeakPolarHBondContact ND1-CG 3.22Å; G234-R263 PolarHBondContact N-O 3.32Å; T261-R263 PolarHBondContact O-N 3.25Å; T261-R263 VanDerWaalsContact O-N 3.08Å; T261-R263 PolarHBondContact OG1-O 2.93Å; T261-R263 VanDerWaalsContact OG1-O 3.1Å
264L91.3Very high84.5Confident2 Ų248.2 Ų48.21%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-118.3141.2172.9-172.970.8000109.6I206 I214 I216 V231 L232 L245 L266I206-L264 HydrophobicContact CB-CB 4.48Å; I206-L264 HydrophobicContact CD1-CD2 4.48Å; I206-L264 PolarHBondContact N-O 3.22Å; I206-L264 PolarHBondContact O-N 2.9Å; I214-L264 HydrophobicContact CB-CB 4.19Å; I214-L264 HydrophobicContact CB-CD2 4.37Å; I214-L264 HydrophobicContact CD1-CB 4.05Å; I214-L264 HydrophobicContact CG1-CB 4.24Å; I214-L264 HydrophobicContact CG2-CD2 4.1Å; I216-L264 HydrophobicContact CD1-CD2 4.28Å; I216-L264 HydrophobicContact CG2-CD2 3.46Å; I216-L264 VanDerWaalsContact CG2-CD2 3.46Å; V231-L264 HydrophobicContact CG1-CD1 3.73Å; V231-L264 HydrophobicContact CG1-CD2 4.43Å; L232-L264 WeakPolarHBondContact O-CD1 3.11Å; L245-L264 HydrophobicContact CD1-CD1 3.93Å; L264-L266 HydrophobicContact CD2-CD2 4.1Å; L264-L266 HydrophobicContact CG-CD2 4.42Å
265L90.9Very high83Confident40 Ų4057.7 Ų57.721%0.20926%0.264CS..EExtended strand (participates in β ladder)trans-116.3134.6169.9-76.775.6000108.5T203 Y204 L232T203-L265 HydrophobicContact CG2-CD2 4.08Å; Y204-L265 CarbonylContact O-C 3.59Å; Y204-L265 VanDerWaalsContact O-CA 3.31Å; Y204-L265 WeakPolarHBondContact O-CA 3.44Å; L232-L265 HydrophobicContact CB-CB 3.98Å; L232-L265 PolarHBondContact N-O 2.97Å; L232-L265 PolarHBondContact O-N 2.85Å
266L90.7Very high81.3Confident0 Ų057.3 Ų57.30%028%0.283CS..EExtended strand (participates in β ladder)trans-113.9111.2171.1-58.3175.4000107.2V184 T203 Y204 I206 I216 L230 V231 L264 I281V184-L266 HydrophobicContact CB-CD1 4.13Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.16Å; T203-L266 CarbonylContact C-O 3.6Å; T203-L266 WeakPolarHBondContact CA-O 3.22Å; Y204-L266 HydrophobicContact CD2-CB 4.34Å; Y204-L266 PolarHBondContact N-O 3.05Å; Y204-L266 PolarHBondContact O-N 3.36Å; I206-L266 HydrophobicContact CD1-CD1 4.18Å; I216-L266 HydrophobicContact CD1-CD2 4.3Å; L230-L266 WeakPolarHBondContact O-CA 3.42Å; V231-L266 HydrophobicContact CB-CD2 4.32Å; V231-L266 HydrophobicContact CG1-CD2 4.15Å; V231-L266 HydrophobicContact CG2-CD2 3.87Å; L264-L266 HydrophobicContact CD2-CD2 4.1Å; L264-L266 HydrophobicContact CG-CD2 4.42Å; L266-I281 HydrophobicContact CD1-CD1 4.25Å
267H89.5Confident80Confident41 Ų4155.7 Ų55.719%0.1928%0.277CS..EExtended strand (participates in β ladder)trans-106.1118.6-179.8178.678000109.3D201 T203 L229 L230 L232D201-H267 IonicContact OD1-CE1 3.14Å; D201-H267 PolarHBondContact OD1-CE1 2.97Å; D201-H267 IonicContact OD1-ND1 2.66Å; D201-H267 IonicContact OD2-CE1 2.69Å; T203-H267 PolarHBondContact OG1-ND1 3.2Å; L229-H267 CarbonylContact C-O 3.55Å; L229-H267 WeakPolarHBondContact CA-O 3.46Å; L230-H267 HydrophobicContact CB-CB 4.41Å; L230-H267 PolarHBondContact N-O 3.46Å; L230-H267 PolarHBondContact O-N 2.84Å; L232-H267 HydrophobicContact CD1-CB 4.18Å
268F87.6Confident79.3Confident2 Ų254.5 Ų54.51%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-118.8125.1-178.6173.9-118.3000110L200 C202 L223 E227 E228 L229 F279L200-F268 HydrophobicContact CD2-CE1 4.06Å; C202-F268 PolarHBondContact N-O 3.3Å; C202-F268 PolarHBondContact O-N 3.4Å; L223-F268 HydrophobicContact CD2-CE2 3.95Å; E227-F268 HydrophobicContact CB-CE2 4.26Å; E227-F268 HydrophobicContact CG-CE2 4.37Å; E227-F268 HydrophobicContact CG-CZ 4.44Å; E228-F268 WeakPolarHBondContact O-CA 3.33Å; E228-F268 WeakPolarHBondContact O-CD2 3.43Å; L229-F268 HydrophobicContact CB-CD2 4.48Å; L229-F268 HydrophobicContact CD1-CB 4.04Å; F268-F279 HydrophobicContact CB-CE1 3.95Å; F268-F279 HydrophobicContact CB-CZ 4.38Å; F268-F279 HydrophobicContact CD1-CE1 4.02Å; F268-F279 HydrophobicContact CD2-CD1 4.31Å; F268-F279 AromaticContact CD2-CE1 3.91Å; F268-F279 HydrophobicContact CD2-CE1 3.91Å; F268-F279 HydrophobicContact CE2-CE1 4.44Å; F268-F279 AromaticContact CG-CE1 3.68Å; F268-F279 HydrophobicContact CG-CE1 3.68Å
269Q85.9Confident79.1Confident71 Ų7147.7 Ų47.733%0.33225%0.249SC..EExtended strand (participates in β ladder)trans-124.5130.3177.1-166.6173.59500110.5L200 D201 E228L200-Q269 WeakPolarHBondContact O-CA 3.38Å; D201-Q269 PolarHBondContact OD2-NE2 2.79Å; E228-Q269 PolarHBondContact N-O 2.98Å; E228-Q269 PolarHBondContact O-N 2.87Å
270S80Confident79Confident2 Ų252.1 Ų52.11%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-133.1116.2175.1-171.50000109.8L199 L200 E227 R272L199-S270 WeakPolarHBondContact CA-O 3.4Å; L200-S270 PolarHBondContact N-O 3.49Å; L200-S270 PolarHBondContact O-N 2.9Å; E227-S270 WeakPolarHBondContact CG-OG 3.33Å; E227-S270 WeakPolarHBondContact OE1-CB 3.45Å; E227-S270 PolarHBondContact OE1-OG 3.08Å; S270-R272 PolarHBondContact O-N 2.88Å; S270-R272 PolarHBondContact OG-O 2.84Å
271P72.6Confident79.2Confident53 Ų5350.2 Ų50.234%0.34425%0.253SS..SBendtrans-82.38-175.934.5-36.9000113.3G198 E226G198-P271 CarbonylContact O-C 3.53Å; G198-P271 VanDerWaalsContact O-O 3.07Å; E226-P271 HydrophobicContact CB-CG 3.85Å; E226-P271 WeakPolarHBondContact O-CD 3.2Å; E226-P271 WeakPolarHBondContact O-CG 3.43Å
272R67.4Low79.5Confident156 Ų15650.4 Ų50.459%0.58925%0.253SS*.SBendtrans-145.3165.8176.1-57.9-176.1-168.8175.43.9108.8G198 E226 S270 P274G198-R272 CarbonylContact O-C 3.55Å; G198-R272 WeakPolarHBondContact O-CA 3.39Å; G198-R272 PolarHBondContact O-N 3.31Å; E226-R272 IonicContact OE1-CZ 3.01Å; E226-R272 IonicContact OE1-NE 3.74Å; E226-R272 IonicContact OE1-NH1 3.26Å; E226-R272 PolarHBondContact OE1-NH1 2.83Å; E226-R272 IonicContact OE1-NH2 2.74Å; E226-R272 PolarHBondContact OE1-NH2 2.8Å; E226-R272 IonicContact OE2-CZ 2.94Å; E226-R272 IonicContact OE2-NE 2.88Å; E226-R272 PolarHBondContact OE2-NE 3.04Å; E226-R272 IonicContact OE2-NH1 3.85Å; E226-R272 IonicContact OE2-NH2 3.9Å; E226-R272 PolarHBondContact OE2-NH2 2.93Å; S270-R272 PolarHBondContact O-N 2.88Å; S270-R272 PolarHBondContact OG-O 2.84Å; R272-P274 WeakPolarHBondContact O-CD 3.4Å
273V62.2Low79.8Confident78 Ų7850 Ų5047%0.47325%0.251SS..  trans-63.8115.1169.9178.90000109.5L189 R275L189-V273 HydrophobicContact CD1-CG1 3.39Å; V273-R275 PolarHBondContact O-N 2.77Å
274P57.9Low80.1Confident27 Ų2748.3 Ų48.318%0.17525%0.248CC..  trans-55.3137.2-178.5-29.135.1000113.5L189 L200 E227 R272L189-P274 HydrophobicContact CD1-CB 4.45Å; L189-P274 HydrophobicContact CD1-CG 4.49Å; L200-P274 HydrophobicContact CD2-CG 4.44Å; E227-P274 WeakPolarHBondContact OE1-CG 3.29Å; R272-P274 WeakPolarHBondContact O-CD 3.4Å
275R55Low80.2Confident243 Ų24349.9 Ų49.992%0.91726%0.261SS*.  trans-110.564.3-174.9-68.9-170.4176.9-171.30.3112.5V273 G277V273-R275 PolarHBondContact O-N 2.77Å; R275-G277 PolarHBondContact O-N 2.77Å
276G55.8Low80.2Confident75 Ų7550.2 Ų50.277%0.77326%0.26SS*.SBendtrans74.28.1179.900000114.6N222N222-G276 PolarHBondContact ND2-O 3.36Å
277G65.4Low80.1Confident22 Ų2253.6 Ų53.623%0.22728%0.277CS..  trans-83.7158.6156.700000110.7N222 R275N222-G277 CarbonylContact O-C 3.58Å; N222-G277 VanDerWaalsContact O-C 3.31Å; N222-G277 WeakPolarHBondContact O-CA 3.36Å; R275-G277 PolarHBondContact O-N 2.77Å
278G77.9Confident80.1Confident14 Ų1452.1 Ų52.114%0.14427%0.271CS..EExtended strand (participates in β ladder)trans171.9179.4-17600000112.7S186 N222S186-G278 WeakPolarHBondContact OG-CA 3.44Å; N222-G278 PolarHBondContact N-O 3.17Å; N222-G278 PolarHBondContact O-N 3.12Å
279F86.6Confident80.2Confident4 Ų454.7 Ų54.72%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-136.6150.7176.167.3-93.6000111.5V184 E185 S186 Y204 T220 L221 L223 L229 F268 I281V184-F279 HydrophobicContact CG1-CE2 4.11Å; E185-F279 WeakPolarHBondContact CA-O 3.45Å; S186-F279 PolarHBondContact N-O 2.86Å; S186-F279 PolarHBondContact OG-N 3.43Å; S186-F279 VanDerWaalsContact OG-N 3.07Å; S186-F279 PolarHBondContact OG-O 2.83Å; Y204-F279 AromaticContact CE2-CZ 3.91Å; Y204-F279 HydrophobicContact CE2-CZ 3.91Å; T220-F279 CarbonylContact O-C 3.43Å; T220-F279 VanDerWaalsContact O-CA 3.28Å; T220-F279 WeakPolarHBondContact O-CA 3.47Å; L221-F279 HydrophobicContact CD1-CB 4.02Å; L223-F279 HydrophobicContact CD2-CD1 4.43Å; L229-F279 HydrophobicContact CD1-CE1 4.18Å; L229-F279 HydrophobicContact CD1-CZ 4.27Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.15Å; L229-F279 HydrophobicContact CD2-CD2 4.45Å; L229-F279 HydrophobicContact CD2-CG 4.08Å; F268-F279 HydrophobicContact CB-CE1 3.95Å; F268-F279 HydrophobicContact CB-CZ 4.38Å; F268-F279 HydrophobicContact CD1-CE1 4.02Å; F268-F279 HydrophobicContact CD2-CD1 4.31Å; F268-F279 AromaticContact CD2-CE1 3.91Å; F268-F279 HydrophobicContact CD2-CE1 3.91Å; F268-F279 HydrophobicContact CE2-CE1 4.44Å; F268-F279 AromaticContact CG-CE1 3.68Å; F268-F279 HydrophobicContact CG-CE1 3.68Å; F279-I281 HydrophobicContact CD2-CD1 3.89Å; F279-I281 HydrophobicContact CD2-CG1 4.07Å; F279-I281 HydrophobicContact CE2-CD1 4.29Å
280R88.8Confident80.4Confident93 Ų9351.5 Ų51.535%0.35127%0.274SS..EExtended strand (participates in β ladder)trans-131.5123.4165.4175.8175.8-79.3114.10.4107.9Y183 E185 Q219 T220Y183-R280 HydrophobicContact CD1-CG 4.16Å; E185-R280 VanDerWaalsContact CD-NE 3.3Å; E185-R280 HydrophobicContact CG-CB 4.34Å; E185-R280 HydrophobicContact CG-CG 4.11Å; E185-R280 IonicContact OE1-CZ 3.21Å; E185-R280 IonicContact OE1-NE 2.72Å; E185-R280 PolarHBondContact OE1-NE 2.78Å; E185-R280 IonicContact OE1-NH2 2.87Å; E185-R280 PolarHBondContact OE1-NH2 2.77Å; E185-R280 IonicContact OE2-CZ 3.61Å; E185-R280 IonicContact OE2-NE 3.81Å; E185-R280 IonicContact OE2-NH2 2.78Å; E185-R280 PolarHBondContact OE2-NH2 2.97Å; Q219-R280 HydrophobicContact CB-CG 4.26Å; Q219-R280 PolarHBondContact N-O 2.88Å; Q219-R280 VanDerWaalsContact OE1-CD 3.32Å; T220-R280 PolarHBondContact N-O 3.21Å; T220-R280 PolarHBondContact O-N 2.88Å; T220-R280 WeakPolarHBondContact OG1-CB 3.48Å; T220-R280 PolarHBondContact OG1-N 2.88Å
281I92.1Very high80.8Confident0 Ų054 Ų540%030%0.301CS..EExtended strand (participates in β ladder)trans-122.5119.4179.8-68170.9000107.4Y183 V184 I216 Q217 V218 L229 L266 F279Y183-I281 CarbonylContact C-O 3.31Å; Y183-I281 WeakPolarHBondContact CA-O 3.43Å; V184-I281 PolarHBondContact N-O 2.91Å; V184-I281 PolarHBondContact O-N 2.93Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.39Å; I216-I281 HydrophobicContact CG2-CG2 3.98Å; Q217-I281 WeakPolarHBondContact O-CA 3.25Å; V218-I281 HydrophobicContact CG2-CG1 4.43Å; L229-I281 HydrophobicContact CD2-CD1 4.19Å; L266-I281 HydrophobicContact CD1-CD1 4.25Å; F279-I281 HydrophobicContact CD2-CD1 3.89Å; F279-I281 HydrophobicContact CD2-CG1 4.07Å; F279-I281 HydrophobicContact CE2-CD1 4.29Å
282H94.3Very high81.6Confident16 Ų1657.4 Ų57.47%0.07431%0.31CS..EExtended strand (participates in β ladder)trans-76.2143.8164175.4-112.5000108.4E181 G182 Y183 I216 Q217 Q219E181-H282 WeakPolarHBondContact CG-NE2 3.31Å; E181-H282 IonicContact OE1-CD2 2.8Å; E181-H282 IonicContact OE1-CE1 3.63Å; E181-H282 IonicContact OE1-NE2 2.82Å; E181-H282 PolarHBondContact OE1-NE2 2.59Å; G182-H282 WeakPolarHBondContact O-CA 3.31Å; G182-H282 PolarHBondContact O-CD2 2.78Å; G182-H282 VanDerWaalsContact O-CD2 3.26Å; Y183-H282 HydrophobicContact CD1-CB 4.07Å; Y183-H282 HydrophobicContact CE1-CB 3.76Å; Y183-H282 AromaticContact CE1-CD2 3.75Å; Y183-H282 AromaticContact CZ-CD2 3.55Å; I216-H282 CarbonylContact C-O 3.59Å; I216-H282 WeakPolarHBondContact CA-O 3.34Å; Q217-H282 PolarHBondContact N-O 3.21Å; Q217-H282 PolarHBondContact O-N 2.94Å; Q219-H282 HydrophobicContact CG-CB 4.22Å
283Y94.7Very high82.7Confident3 Ų350 Ų501%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-134.3144.8173.676.2-90.6000110.3I177 E181 G182 V184 I206 I214 E215I177-Y283 HydrophobicContact CG2-CE1 4.15Å; I177-Y283 HydrophobicContact CG2-CE2 4.37Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.43Å; E181-Y283 CarbonylContact C-O 3.52Å; E181-Y283 VanDerWaalsContact CA-O 3.29Å; E181-Y283 WeakPolarHBondContact CA-O 3.16Å; E181-Y283 WeakPolarHBondContact CG-O 2.98Å; E181-Y283 PolarHBondContact O-OH 3.35Å; G182-Y283 PolarHBondContact N-O 2.95Å; G182-Y283 WeakPolarHBondContact O-CD1 3.25Å; G182-Y283 PolarHBondContact O-N 2.88Å; V184-Y283 HydrophobicContact CG2-CD1 4Å; V184-Y283 HydrophobicContact CG2-CE1 4.24Å; I206-Y283 HydrophobicContact CD1-CD1 4.1Å; I206-Y283 HydrophobicContact CD1-CD2 4.37Å; I206-Y283 HydrophobicContact CD1-CG 3.96Å; I206-Y283 HydrophobicContact CG2-CD2 3.78Å; I206-Y283 HydrophobicContact CG2-CE2 3.8Å; I206-Y283 HydrophobicContact CG2-CG 4.41Å; I214-Y283 HydrophobicContact CG2-CD2 4.26Å; I214-Y283 HydrophobicContact CG2-CG 4.49Å; E215-Y283 CarbonylContact O-C 3.46Å; E215-Y283 VanDerWaalsContact O-CA 3.27Å; E215-Y283 WeakPolarHBondContact O-CA 3.41Å
284Q95.1Very high84Confident73 Ų7350.2 Ų50.234%0.34129%0.286SS..EExtended strand (participates in β ladder)trans-144.2146.5177.163.9-176.8-3.100112G180 E181 E215 Y286G180-Q284 CarbonylContact O-C 3.58Å; E181-Q284 HydrophobicContact CG-CB 4.06Å; E215-Q284 HydrophobicContact CB-CG 4.1Å; E215-Q284 PolarHBondContact N-O 3.21Å; E215-Q284 PolarHBondContact O-N 3.05Å; E215-Q284 PolarHBondContact OE1-NE2 3.25Å; Q284-Y286 PolarHBondContact O-N 3.28Å
285A93Very high85.5Confident35 Ų3557.3 Ų57.329%0.28931%0.309SS..EExtended strand (participates in β ladder)trans-74.112217500000110.3G180 V208 Y212 G213G180-A285 WeakPolarHBondContact O-CB 3.28Å; G180-A285 PolarHBondContact O-N 2.8Å; V208-A285 HydrophobicContact CB-CB 4.36Å; V208-A285 HydrophobicContact CG1-CB 4.07Å; Y212-A285 HydrophobicContact CD1-CB 4.23Å; G213-A285 CarbonylContact O-C 3.56Å; G213-A285 WeakPolarHBondContact O-CA 3.45Å
286Y90.9Very high87.1Confident47 Ų4746.4 Ų46.418%0.18427%0.269CS..EExtended strand (participates in β ladder)trans-112.4150.9171.184.2-85000110Y212 G213 E215 R258 S259 Q284 L288Y212-Y286 CarbonylContact C-O 3.58Å; Y212-Y286 VanDerWaalsContact CA-O 3.22Å; Y212-Y286 WeakPolarHBondContact CA-O 3.41Å; Y212-Y286 WeakPolarHBondContact CB-O 3.34Å; G213-Y286 VanDerWaalsContact C-CD1 3.49Å; G213-Y286 PolarHBondContact N-O 2.77Å; G213-Y286 WeakPolarHBondContact O-CD1 3.32Å; G213-Y286 PolarHBondContact O-N 3.35Å; E215-Y286 HydrophobicContact CB-CD1 3.99Å; R258-Y286 HydrophobicContact CB-CE1 3.72Å; R258-Y286 HydrophobicContact CG-CD1 4.31Å; R258-Y286 HydrophobicContact CG-CE1 3.91Å; S259-Y286 PolarHBondContact O-OH 2.91Å; Q284-Y286 PolarHBondContact O-N 3.28Å; Y286-L288 HydrophobicContact CE2-CD2 4.05Å; Y286-L288 PolarHBondContact O-N 3.4Å; Y286-L288 VanDerWaalsContact OH-CD2 3.28Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.37Å
287L88.9Confident88.4Confident70 Ų7046.2 Ų46.237%0.36626%0.261SS..EExtended strand (participates in β ladder)trans-72.3124.6-179.6-164.461.9000109.7Y212 H307Y212-L287 HydrophobicContact CD1-CD1 4.15Å; Y212-L287 HydrophobicContact CD2-CD1 4.38Å; Y212-L287 HydrophobicContact CE1-CB 4.4Å; Y212-L287 HydrophobicContact CE1-CD1 3.76Å; Y212-L287 HydrophobicContact CE2-CD1 4Å; Y212-L287 HydrophobicContact CG-CD1 4.44Å; L287-H307 HydrophobicContact CD2-CB 3.81Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.12Å; L287-H307 VanDerWaalsContact CD2-CG 3.45Å; L287-H307 HydrophobicContact CG-CB 4.24Å
288L89.8Confident89.3Confident10 Ų1048.5 Ų48.55%0.05227%0.266CS..  trans-78153.3172.3-75.9164.7000109.7G211 Y212 Y286 P308 P336G211-L288 WeakPolarHBondContact O-CB 3.42Å; G211-L288 PolarHBondContact O-N 3.3Å; Y212-L288 VanDerWaalsContact C-CD1 3.46Å; Y212-L288 VanDerWaalsContact O-CD1 3.3Å; Y212-L288 WeakPolarHBondContact O-CD1 3.42Å; Y286-L288 HydrophobicContact CE2-CD2 4.05Å; Y286-L288 PolarHBondContact O-N 3.4Å; Y286-L288 VanDerWaalsContact OH-CD2 3.28Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.37Å; L288-P308 VanDerWaalsContact O-CD 3.23Å; L288-P308 WeakPolarHBondContact O-CD 3.19Å; L288-P336 HydrophobicContact CB-CG 3.59Å; L288-P336 HydrophobicContact CD1-CG 4.47Å
289S90.4Very high89.8Confident56 Ų5648.5 Ų48.539%0.39227%0.266SS..  trans-120.8151175.2-400000109.5L306 H307S289-L306 CarbonylContact C-O 3.59Å; S289-L306 VanDerWaalsContact CA-O 3.3Å; S289-L306 WeakPolarHBondContact CA-O 3.41Å; S289-H307 PolarHBondContact OG-CD2 2.82Å; S289-H307 PolarHBondContact OG-NE2 2.68Å
290C90Very high89.9Confident4 Ų452.3 Ų52.33%0.02729%0.286CS..PPolyproline II helixtrans-62.8151.6159.1-71.90000109.9L306 C330 S337 W338C290-L306 PolarHBondContact N-O 2.89Å; C290-C330 HydrophobicContact CB-CB 3.92Å; C290-C330 WeakPolarHBondContact CB-SG 3.34Å; C290-C330 WeakPolarHBondContact SG-CA 3.45Å; C290-C330 WeakPolarHBondContact SG-CB 3.25Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 3.45Å; C290-S337 PolarHBondContact SG-N 3.33Å; C290-W338 HydrophobicContact CB-CD2 4.32Å; C290-W338 HydrophobicContact CB-CZ2 3.78Å
291G88.1Confident90.2Very high55 Ų5548.3 Ų48.357%0.56727%0.272SS*.PPolyproline II helixtrans-61.8144.8169.300000110.4W338G291-W338 PolarHBondContact O-NE1 2.9Å
292F90.4Very high90.3Very high124 Ų12450.9 Ų50.954%0.54429%0.29SS..PPolyproline II helixtrans-58124.4175.9-169.1-82.9000108.9V301 V303 L306F292-V301 HydrophobicContact CE1-CG1 3.89Å; F292-V301 HydrophobicContact CZ-CG1 4.12Å; F292-V303 HydrophobicContact CE2-CB 4.38Å; F292-V303 HydrophobicContact CE2-CG2 3.87Å; F292-V303 HydrophobicContact CZ-CG2 3.97Å; F292-L306 HydrophobicContact CD2-CD1 4.26Å; F292-L306 HydrophobicContact CD2-CD2 4.27Å
293P89.9Confident90.2Very high1 Ų152.2 Ų52.21%0.00630%0.299CS..PPolyproline II helixtrans-64.7139.4-17526-33.3000110.2R295 V301 V303 A312 F314 W338P293-R295 PolarHBondContact O-N 2.96Å; P293-V301 HydrophobicContact CG-CG1 4.08Å; P293-V301 HydrophobicContact CG-CG2 3.84Å; P293-V303 HydrophobicContact CG-CG2 3.81Å; P293-A312 HydrophobicContact CG-CB 3.84Å; P293-F314 HydrophobicContact CB-CE1 4.25Å; P293-F314 HydrophobicContact CB-CZ 3.83Å; P293-F314 HydrophobicContact CG-CZ 4.33Å; P293-W338 HydrophobicContact CG-CZ2 4.26Å
294P89.4Confident90Very high83 Ų8357.1 Ų57.154%0.53933%0.329SS..PPolyproline II helixtrans-61.3141.4175.226.1-31.4000109.5T342P294-T342 HydrophobicContact CG-CG2 4.15Å
295R89.1Confident89.7Confident175 Ų17557.1 Ų57.166%0.6633%0.332SS*.PPolyproline II helixtrans-69.6133.1171.1-79.7-177.8-73.1-150.7-3.5109.2P293 D300 V301P293-R295 PolarHBondContact O-N 2.96Å; R295-D300 WeakPolarHBondContact CD-OD1 3Å; R295-D300 IonicContact NH1-OD1 2.73Å; R295-V301 HydrophobicContact CG-CG1 3.76Å
296P89.1Confident89.6Confident14 Ų1457.7 Ų57.79%0.09133%0.33CS..PPolyproline II helixtrans-63.3149.217428.1-33.6000109.5H298 G299 F314P296-H298 PolarHBondContact O-N 2.96Å; P296-G299 PolarHBondContact O-N 2.97Å; P296-F314 HydrophobicContact CG-CD1 4.27Å
297A83.5Confident89.6Confident72 Ų7258.2 Ų58.260%0.59533%0.334SS*.THydrogen-bonded Turntrans-61.8134166.400000108.6C345A297-C345 WeakPolarHBondContact O-CB 3.42Å
298H83.5Confident89.6Confident70 Ų7056.8 Ų56.832%0.32433%0.329SS..THydrogen-bonded Turntrans60.441.9-177-49.1-69.7000114.6P296 D317 Y320 C345P296-H298 PolarHBondContact O-N 2.96Å; H298-D317 VanDerWaalsContact CA-OD2 3.25Å; H298-D317 WeakPolarHBondContact CA-OD2 3.38Å; H298-D317 PolarHBondContact O-N 2.85Å; H298-Y320 HydrophobicContact CB-CD1 3.6Å; H298-Y320 HydrophobicContact CB-CD2 3.82Å; H298-Y320 HydrophobicContact CB-CE1 3.47Å; H298-Y320 VanDerWaalsContact CB-CE1 3.47Å; H298-Y320 HydrophobicContact CB-CE2 3.7Å; H298-Y320 HydrophobicContact CB-CG 3.79Å; H298-Y320 AromaticContact CD2-CE1 3.41Å; H298-Y320 VanDerWaalsContact CD2-CE1 3.41Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.03Å; H298-Y320 AromaticContact CD2-CZ 3.62Å; H298-Y320 PolarHBondContact CE1-OH 2.03Å; H298-Y320 AromaticContact CG-CE1 3.37Å; H298-Y320 AromaticContact CG-CE2 3.84Å; H298-Y320 AromaticContact CG-CZ 3.25Å; H298-Y320 AromaticContact ND1-CZ 3.57Å; H298-Y320 PolarHBondContact ND1-OH 3.11Å; H298-C345 WeakPolarHBondContact O-CB 3.43Å
299G87.6Confident89.6Confident14 Ų1459.1 Ų59.114%0.14436%0.355CS..EExtended strand (participates in β ladder)trans-171-174.3173.200000112.9P296 H315P296-G299 PolarHBondContact O-N 2.97Å; G299-H315 CarbonylContact C-O 3.55Å; G299-H315 WeakPolarHBondContact CA-O 3.47Å
300D90.4Very high89.7Confident83 Ų8356.8 Ų56.844%0.44434%0.34SS..EExtended strand (participates in β ladder)trans-139.1165.3179.7-165.221.7000111.5R295 H315R295-D300 WeakPolarHBondContact CD-OD1 3Å; R295-D300 IonicContact NH1-OD1 2.73Å; D300-H315 PolarHBondContact N-O 2.8Å; D300-H315 PolarHBondContact O-N 2.99Å
301V94.6Very high89.9Confident9 Ų958.4 Ų58.46%0.05535%0.35CS..EExtended strand (participates in β ladder)trans-125.2116.6179.168.40000112.1F292 P293 R295 V303 A312 F314F292-V301 HydrophobicContact CE1-CG1 3.89Å; F292-V301 HydrophobicContact CZ-CG1 4.12Å; P293-V301 HydrophobicContact CG-CG1 4.08Å; P293-V301 HydrophobicContact CG-CG2 3.84Å; R295-V301 HydrophobicContact CG-CG1 3.76Å; V301-V303 HydrophobicContact CG1-CG2 4.32Å; V301-V303 HydrophobicContact CG2-CG2 4.06Å; V301-A312 HydrophobicContact CG2-CB 3.93Å; V301-F314 HydrophobicContact CB-CD1 3.78Å; V301-F314 HydrophobicContact CB-CE1 3.74Å; V301-F314 HydrophobicContact CB-CZ 4.48Å; V301-F314 HydrophobicContact CG2-CD1 3.6Å; V301-F314 HydrophobicContact CG2-CD2 4.3Å; V301-F314 HydrophobicContact CG2-CE1 3.36Å; V301-F314 HydrophobicContact CG2-CE2 4.08Å; V301-F314 HydrophobicContact CG2-CG 4.08Å; V301-F314 HydrophobicContact CG2-CZ 3.62Å
302S93.8Very high90.2Very high54 Ų5455.8 Ų55.838%0.37832%0.323SS..EExtended strand (participates in β ladder)trans-87.6108.4172.356.70000110.1T313 H315S302-T313 PolarHBondContact N-O 3.48Å; S302-T313 PolarHBondContact O-N 3.44Å; S302-T313 PolarHBondContact OG-O 3.49Å; S302-H315 PolarHBondContact OG-NE2 2.92Å
303V92.9Very high90.5Very high44 Ų4451.1 Ų51.127%0.26730%0.304SS..EExtended strand (participates in β ladder)trans-101.9128.1-179.8-176.70000110F292 P293 V301 L306 A312F292-V303 HydrophobicContact CE2-CB 4.38Å; F292-V303 HydrophobicContact CE2-CG2 3.87Å; F292-V303 HydrophobicContact CZ-CG2 3.97Å; P293-V303 HydrophobicContact CG-CG2 3.81Å; V301-V303 HydrophobicContact CG1-CG2 4.32Å; V301-V303 HydrophobicContact CG2-CG2 4.06Å; V303-L306 HydrophobicContact CG1-CD2 3.71Å; V303-L306 HydrophobicContact CG1-CG 4.09Å; V303-A312 HydrophobicContact CG2-CB 4.08Å
304T90.7Very high90.7Very high106 Ų10651.2 Ų51.265%0.6531%0.305SS*.SBendtrans-87.6-45.4178.5600000112T311T304-T311 WeakPolarHBondContact CG2-OG1 3.44Å; T304-T311 PolarHBondContact N-O 3.23Å; T304-T311 PolarHBondContact OG1-N 2.72Å; T304-T311 VanDerWaalsContact OG1-N 3.08Å; T304-T311 PolarHBondContact OG1-O 3.39Å; T304-T311 VanDerWaalsContact OG1-O 3.1Å; T304-T311 PolarHBondContact OG1-OG1 3.1Å
305D88.4Confident90.8Very high74 Ų7451.7 Ų51.740%0.39630%0.3SS..  trans-155.6153173-165.6-3.6000108.9H307 G310D305-H307 IonicContact OD1-CE1 2.59Å; D305-H307 IonicContact OD1-CG 3.92Å; D305-H307 PolarHBondContact OD1-N 3.4Å; D305-H307 VanDerWaalsContact OD1-N 3.17Å; D305-H307 IonicContact OD1-ND1 3.21Å; D305-H307 PolarHBondContact OD1-ND1 3.41Å; D305-H307 IonicContact OD2-CG 2.79Å; D305-H307 IonicContact OD2-ND1 3.56Å; D305-H307 PolarHBondContact OD2-ND1 3Å; D305-G310 CarbonylContact O-C 3.57Å; D305-G310 WeakPolarHBondContact O-CA 3.39Å
306L90.3Very high90.7Very high47 Ų4745.2 Ų45.225%0.24628%0.28CS..SBendtrans-99-10175-65.6172.5000112.9S289 C290 F292 V303 C330 W338S289-L306 CarbonylContact C-O 3.59Å; S289-L306 VanDerWaalsContact CA-O 3.3Å; S289-L306 WeakPolarHBondContact CA-O 3.41Å; C290-L306 PolarHBondContact N-O 2.89Å; F292-L306 HydrophobicContact CD2-CD1 4.26Å; F292-L306 HydrophobicContact CD2-CD2 4.27Å; V303-L306 HydrophobicContact CG1-CD2 3.71Å; V303-L306 HydrophobicContact CG1-CG 4.09Å; L306-C330 PolarHBondContact O-SG 3.03Å; L306-W338 HydrophobicContact CD2-CH2 4.4Å; L306-W338 HydrophobicContact CD2-CZ2 3.87Å
307H90.4Very high90.3Very high58 Ų5848.4 Ų48.427%0.26930%0.297SS..SBendtrans-74.3160.8176.1-55.6105.9000112L287 S289 D305 G309 G310L287-H307 HydrophobicContact CD2-CB 3.81Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.12Å; L287-H307 VanDerWaalsContact CD2-CG 3.45Å; L287-H307 HydrophobicContact CG-CB 4.24Å; S289-H307 PolarHBondContact OG-CD2 2.82Å; S289-H307 PolarHBondContact OG-NE2 2.68Å; D305-H307 IonicContact OD1-CE1 2.59Å; D305-H307 IonicContact OD1-CG 3.92Å; D305-H307 PolarHBondContact OD1-N 3.4Å; D305-H307 VanDerWaalsContact OD1-N 3.17Å; D305-H307 IonicContact OD1-ND1 3.21Å; D305-H307 PolarHBondContact OD1-ND1 3.41Å; D305-H307 IonicContact OD2-CG 2.79Å; D305-H307 IonicContact OD2-ND1 3.56Å; D305-H307 PolarHBondContact OD2-ND1 3Å; H307-G309 PolarHBondContact O-N 3.08Å; H307-G310 WeakPolarHBondContact O-CA 3.28Å; H307-G310 PolarHBondContact O-N 2.87Å
308P89.9Confident89.9Confident40 Ų4048 Ų4826%0.2629%0.29SS..THydrogen-bonded Turntrans-53.5125.3177.8-28.935.2000113.3L288 C330 N332 P336L288-P308 VanDerWaalsContact O-CD 3.23Å; L288-P308 WeakPolarHBondContact O-CD 3.19Å; P308-C330 CarbonylContact C-O 3.51Å; P308-C330 WeakPolarHBondContact CA-O 3.37Å; P308-N332 HydrophobicContact CB-CB 3.97Å; P308-P336 HydrophobicContact CG-CB 4.31Å; P308-P336 HydrophobicContact CG-CG 4Å
309G89Confident89.4Confident59 Ų5945.5 Ų45.561%0.60828%0.283SS*.THydrogen-bonded Turntrans96-12.9-170.600000114.8H307 C330H307-G309 PolarHBondContact O-N 3.08Å; G309-C330 PolarHBondContact N-O 2.94Å
310G92.1Very high89Confident6 Ų646.8 Ų46.86%0.06228%0.283CS..  trans-69.8157.817100000113D305 H307 C330D305-G310 CarbonylContact O-C 3.57Å; D305-G310 WeakPolarHBondContact O-CA 3.39Å; H307-G310 WeakPolarHBondContact O-CA 3.28Å; H307-G310 PolarHBondContact O-N 2.87Å; G310-C330 PolarHBondContact O-N 2.67Å
311T95.3Very high88.7Confident39 Ų3949 Ų4924%0.23929%0.291CS..EExtended strand (participates in β ladder)trans-123.4148.8-174.767.30000113.1T304 T327 L328 I329T304-T311 WeakPolarHBondContact CG2-OG1 3.44Å; T304-T311 PolarHBondContact N-O 3.23Å; T304-T311 PolarHBondContact OG1-N 2.72Å; T304-T311 VanDerWaalsContact OG1-N 3.08Å; T304-T311 PolarHBondContact OG1-O 3.39Å; T304-T311 VanDerWaalsContact OG1-O 3.1Å; T304-T311 PolarHBondContact OG1-OG1 3.1Å; T311-T327 HydrophobicContact CG2-CG2 4.29Å; T311-L328 CarbonylContact C-O 3.57Å; T311-L328 WeakPolarHBondContact CA-O 3.3Å; T311-I329 HydrophobicContact CG2-CG1 4.38Å
312A94.7Very high88.3Confident0 Ų051.2 Ų51.20%030%0.302CS..EExtended strand (participates in β ladder)trans-125.1111.9170.800000109.2P293 V301 V303 F314 T327 L328 W338P293-A312 HydrophobicContact CG-CB 3.84Å; V301-A312 HydrophobicContact CG2-CB 3.93Å; V303-A312 HydrophobicContact CG2-CB 4.08Å; A312-F314 HydrophobicContact CB-CE2 4.09Å; A312-F314 HydrophobicContact CB-CZ 4.3Å; A312-F314 WeakPolarHBondContact O-CD2 3.46Å; A312-F314 WeakPolarHBondContact O-CE2 2.98Å; A312-T327 CarbonylContact O-C 3.47Å; A312-T327 VanDerWaalsContact O-CA 3.31Å; A312-T327 WeakPolarHBondContact O-CA 3.1Å; A312-L328 PolarHBondContact N-O 2.94Å; A312-L328 PolarHBondContact O-N 2.92Å; A312-W338 HydrophobicContact CB-CE3 4.39Å; A312-W338 HydrophobicContact CB-CH2 3.73Å; A312-W338 HydrophobicContact CB-CZ2 4.25Å; A312-W338 HydrophobicContact CB-CZ3 3.79Å
313T95.2Very high88.1Confident26 Ų2653.8 Ų53.816%0.1631%0.308CS..EExtended strand (participates in β ladder)trans-103.9127.6-179.9-58.80000109.9S302 E326 T327S302-T313 PolarHBondContact N-O 3.48Å; S302-T313 PolarHBondContact O-N 3.44Å; S302-T313 PolarHBondContact OG-O 3.49Å; T313-E326 CarbonylContact C-O 3.54Å; T313-E326 WeakPolarHBondContact CA-O 3.45Å; T313-E326 HydrophobicContact CG2-CG 4.43Å; T313-T327 WeakPolarHBondContact CB-OG1 3.1Å; T313-T327 WeakPolarHBondContact CG2-OG1 3.47Å; T313-T327 WeakPolarHBondContact OG1-CG2 3.45Å; T313-T327 PolarHBondContact OG1-OG1 2.79Å
314F94.8Very high87.8Confident3 Ų354.7 Ų54.71%0.01333%0.327CS..EExtended strand (participates in β ladder)trans-102.8137.8-171.3-64.2-93.3000111.6P293 P296 V301 A312 L322 E326 L328 T342 P343P293-F314 HydrophobicContact CB-CE1 4.25Å; P293-F314 HydrophobicContact CB-CZ 3.83Å; P293-F314 HydrophobicContact CG-CZ 4.33Å; P296-F314 HydrophobicContact CG-CD1 4.27Å; V301-F314 HydrophobicContact CB-CD1 3.78Å; V301-F314 HydrophobicContact CB-CE1 3.74Å; V301-F314 HydrophobicContact CB-CZ 4.48Å; V301-F314 HydrophobicContact CG2-CD1 3.6Å; V301-F314 HydrophobicContact CG2-CD2 4.3Å; V301-F314 HydrophobicContact CG2-CE1 3.36Å; V301-F314 HydrophobicContact CG2-CE2 4.08Å; V301-F314 HydrophobicContact CG2-CG 4.08Å; V301-F314 HydrophobicContact CG2-CZ 3.62Å; A312-F314 HydrophobicContact CB-CE2 4.09Å; A312-F314 HydrophobicContact CB-CZ 4.3Å; A312-F314 WeakPolarHBondContact O-CD2 3.46Å; A312-F314 WeakPolarHBondContact O-CE2 2.98Å; F314-L322 HydrophobicContact CB-CD1 4.15Å; F314-L322 HydrophobicContact CB-CD2 4.33Å; F314-E326 PolarHBondContact N-O 2.88Å; F314-L328 HydrophobicContact CE2-CB 4.16Å; F314-L328 HydrophobicContact CE2-CD1 3.71Å; F314-L328 HydrophobicContact CE2-CG 3.74Å; F314-L328 HydrophobicContact CZ-CD1 3.95Å; F314-L328 HydrophobicContact CZ-CG 4.47Å; F314-T342 HydrophobicContact CD1-CG2 4.32Å; F314-T342 HydrophobicContact CE1-CG2 3.63Å; F314-T342 HydrophobicContact CZ-CG2 4.08Å; F314-P343 HydrophobicContact CB-CG 3.72Å; F314-P343 HydrophobicContact CD1-CG 3.95Å; F314-P343 HydrophobicContact CD2-CG 3.74Å; F314-P343 HydrophobicContact CE2-CG 4.36Å; F314-P343 HydrophobicContact CG-CG 3.51Å
315H91.4Very high87.9Confident93 Ų9354 Ų5443%0.43132%0.316SS..EExtended strand (participates in β ladder)trans-128144-179.3-53.5-85.4000109.4G299 D300 S302G299-H315 CarbonylContact C-O 3.55Å; G299-H315 WeakPolarHBondContact CA-O 3.47Å; D300-H315 PolarHBondContact N-O 2.8Å; D300-H315 PolarHBondContact O-N 2.99Å; S302-H315 PolarHBondContact OG-NE2 2.92Å
316C87.9Confident88.1Confident38 Ų3856.4 Ų56.426%0.25733%0.325SS..EExtended strand (participates in β ladder)trans-103152.1175.3-61.50000112L322 C345C316-L322 VanDerWaalsContact SG-CA 3.56Å; C316-L322 WeakPolarHBondContact SG-CD1 3.29Å; C316-C345 WeakPolarHBondContact CA-SG 3.48Å; C316-C345 HydrophobicContact CB-CB 3.77Å; C316-C345 WeakPolarHBondContact CB-SG 3.13Å; C316-C345 VanDerWaalsContact SG-CA 3.58Å; C316-C345 WeakPolarHBondContact SG-CB 3.46Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 2.93Å
317D81.1Confident88.3Confident82 Ų8256.2 Ų56.244%0.43933%0.326SS..PPolyproline II helixtrans-63.1153.6170.4-69.2-32.7000111.2H298 G319 Y320H298-D317 VanDerWaalsContact CA-OD2 3.25Å; H298-D317 WeakPolarHBondContact CA-OD2 3.38Å; H298-D317 PolarHBondContact O-N 2.85Å; D317-G319 PolarHBondContact O-N 2.81Å; D317-Y320 HydrophobicContact CB-CD2 4.14Å; D317-Y320 PolarHBondContact O-N 2.84Å
318S74.5Confident88.6Confident64 Ų6453.4 Ų53.445%0.44831%0.313SS..THydrogen-bonded Turntrans-55.8128.1177.164.10000111.3R360S318-R360 CarbonylContact C-O 3.51Å; S318-R360 WeakPolarHBondContact O-CB 3.47Å; S318-R360 PolarHBondContact OG-N 3.08Å
319G72.4Confident88.8Confident17 Ų1755 Ų5518%0.17532%0.319CS..THydrogen-bonded Turntrans99.1-9.7-175.600000114.5D317 S348 R360 V362D317-G319 PolarHBondContact O-N 2.81Å; G319-S348 PolarHBondContact O-N 2.83Å; G319-S348 VanDerWaalsContact O-N 3.07Å; G319-S348 PolarHBondContact O-OG 2.92Å; G319-R360 WeakPolarHBondContact CA-O 3.03Å; G319-R360 PolarHBondContact N-O 2.88Å; G319-V362 WeakPolarHBondContact O-CG2 3.4Å
320Y79.8Confident89Confident40 Ų4052.3 Ų52.316%0.15729%0.29CS..EExtended strand (participates in β ladder)trans-109.9151.6173.9-63.3-103.7000111H298 D317 C345 M346 A347 V362H298-Y320 HydrophobicContact CB-CD1 3.6Å; H298-Y320 HydrophobicContact CB-CD2 3.82Å; H298-Y320 HydrophobicContact CB-CE1 3.47Å; H298-Y320 VanDerWaalsContact CB-CE1 3.47Å; H298-Y320 HydrophobicContact CB-CE2 3.7Å; H298-Y320 HydrophobicContact CB-CG 3.79Å; H298-Y320 AromaticContact CD2-CE1 3.41Å; H298-Y320 VanDerWaalsContact CD2-CE1 3.41Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.03Å; H298-Y320 AromaticContact CD2-CZ 3.62Å; H298-Y320 PolarHBondContact CE1-OH 2.03Å; H298-Y320 AromaticContact CG-CE1 3.37Å; H298-Y320 AromaticContact CG-CE2 3.84Å; H298-Y320 AromaticContact CG-CZ 3.25Å; H298-Y320 AromaticContact ND1-CZ 3.57Å; H298-Y320 PolarHBondContact ND1-OH 3.11Å; D317-Y320 HydrophobicContact CB-CD2 4.14Å; D317-Y320 PolarHBondContact O-N 2.84Å; Y320-C345 HydrophobicContact CD1-CB 4.45Å; Y320-M346 CarbonylContact C-O 3.58Å; Y320-M346 VanDerWaalsContact CA-O 3.31Å; Y320-M346 WeakPolarHBondContact CA-O 3.45Å; Y320-A347 HydrophobicContact CD1-CB 4.04Å; Y320-A347 VanDerWaalsContact CD1-N 3.34Å; Y320-A347 HydrophobicContact CE1-CB 3.85Å; Y320-V362 HydrophobicContact CD2-CG2 3.98Å; Y320-V362 HydrophobicContact CE1-CG2 4.36Å; Y320-V362 HydrophobicContact CE2-CB 4.4Å; Y320-V362 HydrophobicContact CE2-CG1 4.14Å; Y320-V362 HydrophobicContact CE2-CG2 3.59Å
321Q82.9Confident88.9Confident129 Ų12955.8 Ų55.860%0.60331%0.307SS*.EExtended strand (participates in β ladder)trans-121.5141.5175.8-67.1-178.35.900109.9M346Q321-M346 PolarHBondContact N-O 2.91Å; Q321-M346 PolarHBondContact O-N 3.32Å
322L86.8Confident88.6Confident56 Ų5659.7 Ų59.729%0.29333%0.326SS..EExtended strand (participates in β ladder)trans-76.9128.1-178.3-163.276.8000111.1F314 C316 E326 P343F314-L322 HydrophobicContact CB-CD1 4.15Å; F314-L322 HydrophobicContact CB-CD2 4.33Å; C316-L322 VanDerWaalsContact SG-CA 3.56Å; C316-L322 WeakPolarHBondContact SG-CD1 3.29Å; L322-E326 HydrophobicContact CD2-CB 4.05Å; L322-E326 HydrophobicContact CD2-CG 4.21Å; L322-P343 HydrophobicContact CD1-CB 3.73Å; L322-P343 HydrophobicContact CD1-CG 3.83Å; L322-P343 HydrophobicContact CD2-CB 4.17Å; L322-P343 HydrophobicContact CD2-CG 4.23Å; L322-P343 HydrophobicContact CG-CB 3.87Å; L322-P343 HydrophobicContact CG-CG 4.28Å
323Q88.9Confident88.1Confident108 Ų10860.7 Ų60.751%0.50534%0.337SS..EExtended strand (participates in β ladder)trans-113.6105.6172.3179.2-174.555.800109P343 S344 M346Q323-P343 WeakPolarHBondContact O-CA 3.29Å; Q323-P343 WeakPolarHBondContact O-CB 3.26Å; Q323-S344 PolarHBondContact N-O 3.22Å; Q323-S344 PolarHBondContact O-N 3.49Å; Q323-S344 PolarHBondContact OE1-OG 2.64Å; Q323-M346 HydrophobicContact CB-CE 4.2Å; Q323-M346 HydrophobicContact CG-CE 4.32Å; Q323-M346 PolarHBondContact OE1-SD 3.24Å; Q323-M346 VanDerWaalsContact OE1-SD 3.4Å
324G88.4Confident87.4Confident63 Ų6362.3 Ų62.365%0.64935%0.346SS*.SBendtrans140.6-154.3-179.700000111.5
325E92.2Very high87Confident91 Ų9169.4 Ų69.443%0.42537%0.373SS..  trans-89.7128.5174-172.4170.1-14400110.6T327 L328 N339 P343E325-T327 VanDerWaalsContact C-N 3.29Å; E325-T327 WeakPolarHBondContact CG-O 3.29Å; E325-T327 PolarHBondContact O-N 2.8Å; E325-L328 HydrophobicContact CB-CD2 4.19Å; E325-L328 WeakPolarHBondContact OE2-CD2 3.41Å; E325-N339 PolarHBondContact OE2-ND2 2.96Å; E325-P343 WeakPolarHBondContact O-CG 3.32Å
326E93.1Very high86.8Confident125 Ų12565.5 Ų65.558%0.58436%0.356SS*.SBendtrans-65.8-29.2-178.2-169.4-171.8149.200113.1T313 F314 L322T313-E326 CarbonylContact C-O 3.54Å; T313-E326 WeakPolarHBondContact CA-O 3.45Å; T313-E326 HydrophobicContact CG2-CG 4.43Å; F314-E326 PolarHBondContact N-O 2.88Å; L322-E326 HydrophobicContact CD2-CB 4.05Å; L322-E326 HydrophobicContact CD2-CG 4.21Å
327T94.5Very high86.9Confident43 Ų4366.9 Ų66.926%0.26437%0.366SS..EExtended strand (participates in β ladder)trans-138.4115.2-179.4-64.40000111.2T311 A312 T313 E325T311-T327 HydrophobicContact CG2-CG2 4.29Å; A312-T327 CarbonylContact O-C 3.47Å; A312-T327 VanDerWaalsContact O-CA 3.31Å; A312-T327 WeakPolarHBondContact O-CA 3.1Å; T313-T327 WeakPolarHBondContact CB-OG1 3.1Å; T313-T327 WeakPolarHBondContact CG2-OG1 3.47Å; T313-T327 WeakPolarHBondContact OG1-CG2 3.45Å; T313-T327 PolarHBondContact OG1-OG1 2.79Å; E325-T327 VanDerWaalsContact C-N 3.29Å; E325-T327 WeakPolarHBondContact CG-O 3.29Å; E325-T327 PolarHBondContact O-N 2.8Å
328L95Very high87.5Confident0 Ų064.8 Ų64.80%035%0.352CS..EExtended strand (participates in β ladder)trans-87.4151.1170.7-60.5178.4000110.7T311 A312 F314 E325 W338 N339T311-L328 CarbonylContact C-O 3.57Å; T311-L328 WeakPolarHBondContact CA-O 3.3Å; A312-L328 PolarHBondContact N-O 2.94Å; A312-L328 PolarHBondContact O-N 2.92Å; F314-L328 HydrophobicContact CE2-CB 4.16Å; F314-L328 HydrophobicContact CE2-CD1 3.71Å; F314-L328 HydrophobicContact CE2-CG 3.74Å; F314-L328 HydrophobicContact CZ-CD1 3.95Å; F314-L328 HydrophobicContact CZ-CG 4.47Å; E325-L328 HydrophobicContact CB-CD2 4.19Å; E325-L328 WeakPolarHBondContact OE2-CD2 3.41Å; L328-W338 HydrophobicContact CB-CB 4.33Å; L328-W338 HydrophobicContact CB-CD2 4.29Å; L328-W338 HydrophobicContact CB-CE3 3.73Å; L328-W338 HydrophobicContact CB-CZ3 4.49Å; L328-W338 HydrophobicContact CD1-CB 4.16Å; L328-W338 HydrophobicContact CD1-CG 4.45Å; L328-N339 VanDerWaalsContact CA-OD1 3.25Å; L328-N339 WeakPolarHBondContact CA-OD1 3.38Å; L328-N339 WeakPolarHBondContact CB-OD1 3.32Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.35Å
329I94.4Very high88.4Confident74 Ų7464.6 Ų64.638%0.37935%0.346SS..EExtended strand (participates in β ladder)trans-120.6131.6-179.7-52.3179.3000109.1T311 L331 W338 N339T311-I329 HydrophobicContact CG2-CG1 4.38Å; I329-L331 PolarHBondContact O-N 2.78Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; I329-N339 PolarHBondContact N-OD1 3.17Å; I329-N339 PolarHBondContact O-N 2.8Å; I329-N339 VanDerWaalsContact O-N 3.12Å; I329-N339 PolarHBondContact O-OD1 3.34Å
330C92.9Very high89.2Confident1 Ų165.5 Ų65.51%0.00736%0.355CS..EExtended strand (participates in β ladder)trans-74115.3176.1-178.10000110C290 L306 P308 G309 G310 W338C290-C330 HydrophobicContact CB-CB 3.92Å; C290-C330 WeakPolarHBondContact CB-SG 3.34Å; C290-C330 WeakPolarHBondContact SG-CA 3.45Å; C290-C330 WeakPolarHBondContact SG-CB 3.25Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 3.45Å; L306-C330 PolarHBondContact O-SG 3.03Å; P308-C330 CarbonylContact C-O 3.51Å; P308-C330 WeakPolarHBondContact CA-O 3.37Å; G309-C330 PolarHBondContact N-O 2.94Å; G310-C330 PolarHBondContact O-N 2.67Å; C330-W338 HydrophobicContact CB-CE3 4.16Å; C330-W338 HydrophobicContact CB-CH2 4.08Å; C330-W338 HydrophobicContact CB-CZ3 3.83Å
331L91.3Very high89.8Confident80 Ų8072.1 Ų72.142%0.41939%0.388SS..EExtended strand (participates in β ladder)trans-84.2148.1-177.5-60.3-175.8000112.2I329 P336 S337 N339I329-L331 PolarHBondContact O-N 2.78Å; L331-P336 WeakPolarHBondContact O-CA 3.41Å; L331-P336 WeakPolarHBondContact O-CB 3.3Å; L331-S337 WeakPolarHBondContact CB-O 3.36Å; L331-S337 PolarHBondContact N-O 3.29Å; L331-N339 HydrophobicContact CD1-CB 3.88Å; L331-N339 HydrophobicContact CD2-CB 4.05Å; L331-N339 HydrophobicContact CG-CB 3.92Å
332N88.6Confident90Very high121 Ų12168.6 Ų68.665%0.64738%0.375SS*.  trans-77.8141.417061.3-10.2000111P308P308-N332 HydrophobicContact CB-CB 3.97Å
333G83.8Confident90.3Very high21 Ų2166.2 Ų66.222%0.21636%0.363CS..SBendtrans-173.4-171.7-174.700000112.9P210 G211 R335P210-G333 WeakPolarHBondContact CA-O 3.23Å; G211-G333 PolarHBondContact N-O 2.98Å; G333-R335 VanDerWaalsContact C-N 3.35Å
334T81.6Confident90.3Very high59 Ų5963.3 Ų63.336%0.36236%0.355SS..SBendtrans-69-37.8171.959.60000111G235 T261 N262G235-T334 PolarHBondContact O-OG1 3.38Å; T261-T334 CarbonylContact C-O 3.55Å; T261-T334 WeakPolarHBondContact CA-O 3.42Å; N262-T334 PolarHBondContact N-O 3.01Å; N262-T334 VanDerWaalsContact OD1-CA 3.26Å; N262-T334 WeakPolarHBondContact OD1-CA 3.4Å; N262-T334 VanDerWaalsContact OD1-CB 3.29Å; N262-T334 WeakPolarHBondContact OD1-CB 3.46Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.49Å
335R85.2Confident90.3Very high153 Ų15361 Ų6158%0.57733%0.328SS*.SBendtrans-127.2121.2162-174.3177.4-166.6-147.81.9106.7P260 T261 G333P260-R335 WeakPolarHBondContact O-CG 3.19Å; T261-R335 HydrophobicContact CG2-CB 4.32Å; G333-R335 VanDerWaalsContact C-N 3.35Å
336P87.1Confident89.7Confident11 Ų1160.1 Ų60.17%0.07133%0.325CS..  trans-59143.6175.9-27.837.2000112.5L288 P308 L331L288-P336 HydrophobicContact CB-CG 3.59Å; L288-P336 HydrophobicContact CD1-CG 4.47Å; P308-P336 HydrophobicContact CG-CB 4.31Å; P308-P336 HydrophobicContact CG-CG 4Å; L331-P336 WeakPolarHBondContact O-CA 3.41Å; L331-P336 WeakPolarHBondContact O-CB 3.3Å
337S90.9Very high88.9Confident67 Ų6754.9 Ų54.947%0.46930%0.303SS..EExtended strand (participates in β ladder)trans-145.1158175.267.20000110C290 L331C290-S337 PolarHBondContact SG-N 3.33Å; L331-S337 WeakPolarHBondContact CB-O 3.36Å; L331-S337 PolarHBondContact N-O 3.29Å
338W93.3Very high88.1Confident37 Ų3753.9 Ų53.914%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-62.9154.9167.3-60.1105.8000110.5C290 G291 P293 L306 A312 L328 I329 C330 G340C290-W338 HydrophobicContact CB-CD2 4.32Å; C290-W338 HydrophobicContact CB-CZ2 3.78Å; G291-W338 PolarHBondContact O-NE1 2.9Å; P293-W338 HydrophobicContact CG-CZ2 4.26Å; L306-W338 HydrophobicContact CD2-CH2 4.4Å; L306-W338 HydrophobicContact CD2-CZ2 3.87Å; A312-W338 HydrophobicContact CB-CE3 4.39Å; A312-W338 HydrophobicContact CB-CH2 3.73Å; A312-W338 HydrophobicContact CB-CZ2 4.25Å; A312-W338 HydrophobicContact CB-CZ3 3.79Å; L328-W338 HydrophobicContact CB-CB 4.33Å; L328-W338 HydrophobicContact CB-CD2 4.29Å; L328-W338 HydrophobicContact CB-CE3 3.73Å; L328-W338 HydrophobicContact CB-CZ3 4.49Å; L328-W338 HydrophobicContact CD1-CB 4.16Å; L328-W338 HydrophobicContact CD1-CG 4.45Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; C330-W338 HydrophobicContact CB-CE3 4.16Å; C330-W338 HydrophobicContact CB-CH2 4.08Å; C330-W338 HydrophobicContact CB-CZ3 3.83Å; W338-G340 VanDerWaalsContact C-N 3.29Å; W338-G340 PolarHBondContact O-N 2.84Å
339N93.7Very high87.4Confident61 Ų6156.5 Ų56.533%0.32632%0.315SS..SBendtrans-74.8-15.4-178.467.8-61.3000114.3E325 L328 I329 L331E325-N339 PolarHBondContact OE2-ND2 2.96Å; L328-N339 VanDerWaalsContact CA-OD1 3.25Å; L328-N339 WeakPolarHBondContact CA-OD1 3.38Å; L328-N339 WeakPolarHBondContact CB-OD1 3.32Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.35Å; I329-N339 PolarHBondContact N-OD1 3.17Å; I329-N339 PolarHBondContact O-N 2.8Å; I329-N339 VanDerWaalsContact O-N 3.12Å; I329-N339 PolarHBondContact O-OD1 3.34Å; L331-N339 HydrophobicContact CD1-CB 3.88Å; L331-N339 HydrophobicContact CD2-CB 4.05Å; L331-N339 HydrophobicContact CG-CB 3.92Å
340G89.7Confident86.8Confident35 Ų3553.6 Ų53.636%0.36130%0.304SS..SBendtrans-153.1-179.8-177.300000111.9W338W338-G340 VanDerWaalsContact C-N 3.29Å; W338-G340 PolarHBondContact O-N 2.84Å
341E91.1Very high86.5Confident180 Ų18055.6 Ų55.684%0.84132%0.324SS*.PPolyproline II helixtrans-78.2156.7175.9-64.3178.6170.900111
342T88.4Confident86.4Confident54 Ų5455.1 Ų55.133%0.33133%0.325SS..PPolyproline II helixtrans-68.4129178.2-56.50000110.2P294 F314P294-T342 HydrophobicContact CG-CG2 4.15Å; F314-T342 HydrophobicContact CD1-CG2 4.32Å; F314-T342 HydrophobicContact CE1-CG2 3.63Å; F314-T342 HydrophobicContact CZ-CG2 4.08Å
343P92.2Very high86.5Confident6 Ų651.8 Ų51.84%0.03931%0.306CS..PPolyproline II helixtrans-67.2154.117930.8-38.5000112F314 L322 Q323 E325F314-P343 HydrophobicContact CB-CG 3.72Å; F314-P343 HydrophobicContact CD1-CG 3.95Å; F314-P343 HydrophobicContact CD2-CG 3.74Å; F314-P343 HydrophobicContact CE2-CG 4.36Å; F314-P343 HydrophobicContact CG-CG 3.51Å; L322-P343 HydrophobicContact CD1-CB 3.73Å; L322-P343 HydrophobicContact CD1-CG 3.83Å; L322-P343 HydrophobicContact CD2-CB 4.17Å; L322-P343 HydrophobicContact CD2-CG 4.23Å; L322-P343 HydrophobicContact CG-CB 3.87Å; L322-P343 HydrophobicContact CG-CG 4.28Å; Q323-P343 WeakPolarHBondContact O-CA 3.29Å; Q323-P343 WeakPolarHBondContact O-CB 3.26Å; E325-P343 WeakPolarHBondContact O-CG 3.32Å
344S89.4Confident86.8Confident48 Ų4856.6 Ų56.634%0.33632%0.323SS..EExtended strand (participates in β ladder)trans-99.6150.2173.457.20000111.1Q323Q323-S344 PolarHBondContact N-O 3.22Å; Q323-S344 PolarHBondContact O-N 3.49Å; Q323-S344 PolarHBondContact OE1-OG 2.64Å
345C87.2Confident87.2Confident13 Ų1359.6 Ų59.69%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-102.4114.7168.7-69.60000108.7A297 H298 C316 Y320A297-C345 WeakPolarHBondContact O-CB 3.42Å; H298-C345 WeakPolarHBondContact O-CB 3.43Å; C316-C345 WeakPolarHBondContact CA-SG 3.48Å; C316-C345 HydrophobicContact CB-CB 3.77Å; C316-C345 WeakPolarHBondContact CB-SG 3.13Å; C316-C345 VanDerWaalsContact SG-CA 3.58Å; C316-C345 WeakPolarHBondContact SG-CB 3.46Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 2.93Å; Y320-C345 HydrophobicContact CD1-CB 4.45Å
346M80.1Confident87.4Confident74 Ų7452.5 Ų52.537%0.36531%0.311SS..EExtended strand (participates in β ladder)trans-106.5135-179.2-65.6-159.1-55.800111.6Y320 Q321 Q323 S348Y320-M346 CarbonylContact C-O 3.58Å; Y320-M346 VanDerWaalsContact CA-O 3.31Å; Y320-M346 WeakPolarHBondContact CA-O 3.45Å; Q321-M346 PolarHBondContact N-O 2.91Å; Q321-M346 PolarHBondContact O-N 3.32Å; Q323-M346 HydrophobicContact CB-CE 4.2Å; Q323-M346 HydrophobicContact CG-CE 4.32Å; Q323-M346 PolarHBondContact OE1-SD 3.24Å; Q323-M346 VanDerWaalsContact OE1-SD 3.4Å; M346-S348 PolarHBondContact O-N 3.39Å
347A77.1Confident87.6Confident14 Ų1456 Ų5612%0.11633%0.332CS..EExtended strand (participates in β ladder)trans-62.8128.6176.200000111.6Y320 C349 V362Y320-A347 HydrophobicContact CD1-CB 4.04Å; Y320-A347 VanDerWaalsContact CD1-N 3.34Å; Y320-A347 HydrophobicContact CE1-CB 3.85Å; A347-C349 PolarHBondContact O-N 2.03Å; A347-V362 HydrophobicContact CB-CB 3.97Å; A347-V362 HydrophobicContact CB-CG2 3.45Å; A347-V362 VanDerWaalsContact CB-CG2 3.45Å
348S77.4Confident87.5Confident23 Ų2358.2 Ų58.216%0.16134%0.338CS..  trans-85.5114.7-175.957.70000112.6G319 M346 G350 W378G319-S348 PolarHBondContact O-N 2.83Å; G319-S348 VanDerWaalsContact O-N 3.07Å; G319-S348 PolarHBondContact O-OG 2.92Å; M346-S348 PolarHBondContact O-N 3.39Å; S348-G350 PolarHBondContact O-N 2.95Å; S348-W378 PolarHBondContact O-NE1 3.05Å
349C79.3Confident87.3Confident55 Ų5556.7 Ų56.737%0.37233%0.334SS..SBendtrans-72.384.1176-173.60000112.2A347 P364 C376A347-C349 PolarHBondContact O-N 2.03Å; C349-P364 HydrophobicContact CB-CG 3.65Å; C349-C376 WeakPolarHBondContact CA-SG 3.45Å; C349-C376 HydrophobicContact CB-CB 4.06Å; C349-C376 WeakPolarHBondContact CB-SG 3.46Å; C349-C376 WeakPolarHBondContact SG-CA 3.47Å; C349-C376 WeakPolarHBondContact SG-CB 3.03Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.33Å
350G82.4Confident87Confident13 Ų1357.4 Ų57.413%0.13433%0.332CS..SBendtrans84.8-178.2-177.400000114.9S348 R377 W378S348-G350 PolarHBondContact O-N 2.95Å; G350-R377 CarbonylContact C-O 3.47Å; G350-R377 VanDerWaalsContact CA-C 3.47Å; G350-R377 WeakPolarHBondContact CA-O 3.48Å; G350-W378 VanDerWaalsContact CA-CD1 3.46Å; G350-W378 VanDerWaalsContact N-NE1 3.13Å
351G86.9Confident87Confident42 Ų4255.8 Ų55.843%0.43332%0.315SS..EExtended strand (participates in β ladder)trans128.4176.8-174.300000112.4R377 W378 V379G351-R377 PolarHBondContact N-O 2.83Å; G351-W378 CarbonylContact O-C 3.6Å; G351-W378 WeakPolarHBondContact O-CA 3.2Å; G351-V379 PolarHBondContact O-N 3.01Å
352T89.5Confident86.8Confident71 Ų7147.5 Ų47.544%0.43628%0.277SS..EExtended strand (participates in β ladder)trans-113.2128.8178.1-53.50000111.1H354 V379 E381T352-H354 WeakPolarHBondContact CG2-CE1 3.09Å; T352-V379 CarbonylContact C-O 3.46Å; T352-V379 VanDerWaalsContact CA-O 3.31Å; T352-V379 WeakPolarHBondContact CA-O 3.48Å; T352-V379 HydrophobicContact CG2-CB 4.04Å; T352-V379 HydrophobicContact CG2-CG1 4.26Å; T352-E381 HydrophobicContact CG2-CG 4.44Å
353I90.4Very high86.6Confident51 Ų5145.4 Ų45.426%0.26227%0.265SS..EExtended strand (participates in β ladder)trans-107.196177.6-55.1179.7000107.8A356 I361 V379 E381 F456I353-A356 HydrophobicContact CG2-CB 4.28Å; I353-I361 HydrophobicContact CD1-CG2 3.79Å; I353-V379 PolarHBondContact N-O 2.93Å; I353-E381 PolarHBondContact O-N 2.92Å; I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.68Å; I353-F456 HydrophobicContact CG2-CE2 4.32Å; I353-F456 HydrophobicContact CG2-CZ 3.95Å
354H90.3Very high86Confident122 Ų12245.8 Ų45.857%0.56527%0.267SS*.EExtended strand (participates in β ladder)trans-83.5144177.9-56.5-71.2000111.9T352 A356 E381T352-H354 WeakPolarHBondContact CG2-CE1 3.09Å; H354-A356 VanDerWaalsContact C-N 3.32Å; H354-A356 PolarHBondContact O-N 3.1Å; H354-E381 CarbonylContact C-O 3.4Å; H354-E381 IonicContact CE1-OE2 3.49Å; H354-E381 PolarHBondContact CE1-OE2 3.31Å; H354-E381 IonicContact CG-OE2 2.69Å; H354-E381 IonicContact ND1-OE2 3.85Å; H354-E381 PolarHBondContact ND1-OE2 2.81Å
355N89.8Confident85.1Confident122 Ų12249 Ų4965%0.65228%0.277SS*.EExtended strand (participates in β ladder)trans54.744.7-176.7-56.8-73.2000113E381N355-E381 CarbonylContact C-O 3.59Å; N355-E381 WeakPolarHBondContact CA-O 3.23Å; N355-E381 PolarHBondContact N-O 2.87Å
356A89.6Confident83.7Confident3 Ų351.3 Ų51.33%0.02529%0.291CS..EExtended strand (participates in β ladder)trans-53.1140.3173.900000111.7I353 H354 I380 E381 L388 F456 A458I353-A356 HydrophobicContact CG2-CB 4.28Å; H354-A356 VanDerWaalsContact C-N 3.32Å; H354-A356 PolarHBondContact O-N 3.1Å; A356-I380 HydrophobicContact CB-CG2 3.61Å; A356-E381 PolarHBondContact N-O 3.08Å; A356-L388 HydrophobicContact CB-CD2 4.12Å; A356-F456 HydrophobicContact CB-CD2 4.15Å; A356-F456 HydrophobicContact CB-CE2 3.8Å; A356-A458 WeakPolarHBondContact O-CB 3.48Å
357T90.4Very high82.5Confident85 Ų8551.4 Ų51.452%0.52131%0.311SS..SBendtrans-135.1-56.6177.949.40000110.6E457 A458T357-E457 CarbonylContact O-C 3.6Å; T357-E457 WeakPolarHBondContact O-CA 3.04Å; T357-A458 PolarHBondContact O-N 2.88Å
358L89.5Confident81.5Confident113 Ų11352.9 Ų52.959%0.59233%0.328SS*.EExtended strand (participates in β ladder)trans-150.8142.2169.8176.865.8000108.1R455 F456 E457L358-R455 HydrophobicContact CD1-CG 4.44Å; L358-F456 CarbonylContact C-O 3.51Å; L358-F456 WeakPolarHBondContact CA-O 3.42Å; L358-E457 HydrophobicContact CD1-CB 3.9Å
359G88.6Confident80.3Confident6 Ų653.5 Ų53.56%0.06234%0.335CS..EExtended strand (participates in β ladder)trans177.4-16917400000113.5R455 F456G359-R455 CarbonylContact O-C 3.49Å; G359-R455 WeakPolarHBondContact O-CA 3.15Å; G359-R455 WeakPolarHBondContact O-CG 3.49Å; G359-F456 VanDerWaalsContact C-CE1 3.4Å; G359-F456 PolarHBondContact N-O 2.95Å; G359-F456 PolarHBondContact O-N 3.42Å
360R87.8Confident79Confident75 Ų7558.6 Ų58.628%0.28336%0.364SS..EExtended strand (participates in β ladder)trans-138.8146.5-176.6175.7-165.2-62.9-89.6-22.2109.7S318 G319 V362 E393 S453 L454S318-R360 CarbonylContact C-O 3.51Å; S318-R360 WeakPolarHBondContact O-CB 3.47Å; S318-R360 PolarHBondContact OG-N 3.08Å; G319-R360 WeakPolarHBondContact CA-O 3.03Å; G319-R360 PolarHBondContact N-O 2.88Å; R360-V362 HydrophobicContact CG-CG1 4.12Å; R360-E393 IonicContact CZ-OE1 2.68Å; R360-E393 IonicContact CZ-OE2 3.9Å; R360-E393 IonicContact NE-OE2 3.54Å; R360-E393 IonicContact NH1-OE2 2.74Å; R360-E393 PolarHBondContact NH1-OE2 2.91Å; R360-E393 VanDerWaalsContact NH2-CD 3.32Å; R360-E393 IonicContact NH2-OE1 3.4Å; R360-E393 PolarHBondContact NH2-OE1 3.06Å; R360-E393 IonicContact NH2-OE2 3.27Å; R360-E393 PolarHBondContact NH2-OE2 2.83Å; R360-S453 PolarHBondContact NH1-OG 2.84Å; R360-S453 VanDerWaalsContact NH1-OG 3.08Å; R360-L454 CarbonylContact C-O 3.59Å; R360-L454 VanDerWaalsContact CA-O 3.31Å; R360-L454 WeakPolarHBondContact CA-O 3.33Å
361I90.4Very high77.8Confident2 Ų259.8 Ų59.81%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-120.7146.8164.959.3172000109.2I353 W378 I380 V439 L454 F456I353-I361 HydrophobicContact CD1-CG2 3.79Å; I361-W378 HydrophobicContact CB-CD2 4.32Å; I361-W378 HydrophobicContact CB-CG 4.24Å; I361-W378 HydrophobicContact CD1-CB 4.03Å; I361-W378 HydrophobicContact CD1-CD2 3.84Å; I361-W378 HydrophobicContact CD1-CE3 3.99Å; I361-W378 HydrophobicContact CD1-CG 3.88Å; I361-W378 HydrophobicContact CG2-CB 4.47Å; I361-W378 HydrophobicContact CG2-CG 4.04Å; I361-I380 HydrophobicContact CD1-CD1 4.36Å; I361-V439 HydrophobicContact CD1-CB 4.23Å; I361-V439 HydrophobicContact CD1-CG1 4.14Å; I361-V439 HydrophobicContact CD1-CG2 4.22Å; I361-L454 HydrophobicContact CD1-CB 4.37Å; I361-L454 HydrophobicContact CD1-CD1 4.15Å; I361-L454 HydrophobicContact CG1-CB 3.86Å; I361-L454 HydrophobicContact CG1-CD1 4.47Å; I361-L454 PolarHBondContact N-O 2.03Å; I361-L454 PolarHBondContact O-N 3.41Å; I361-F456 HydrophobicContact CG2-CD1 4.35Å; I361-F456 HydrophobicContact CG2-CE1 4.09Å
362V86.6Confident76.6Confident5 Ų562.6 Ų62.63%0.0339%0.387CS..EExtended strand (participates in β ladder)trans-144.5140.4-169.9-86.50000110.3G319 Y320 A347 R360 W378 L452 S453G319-V362 WeakPolarHBondContact O-CG2 3.4Å; Y320-V362 HydrophobicContact CD2-CG2 3.98Å; Y320-V362 HydrophobicContact CE1-CG2 4.36Å; Y320-V362 HydrophobicContact CE2-CB 4.4Å; Y320-V362 HydrophobicContact CE2-CG1 4.14Å; Y320-V362 HydrophobicContact CE2-CG2 3.59Å; A347-V362 HydrophobicContact CB-CB 3.97Å; A347-V362 HydrophobicContact CB-CG2 3.45Å; A347-V362 VanDerWaalsContact CB-CG2 3.45Å; R360-V362 HydrophobicContact CG-CG1 4.12Å; V362-W378 WeakPolarHBondContact O-CZ2 3.45Å; V362-L452 WeakPolarHBondContact CA-O 3.42Å; V362-S453 WeakPolarHBondContact CG1-OG 3.42Å
363S84.4Confident75.7Confident11 Ų1163.4 Ų63.48%0.07739%0.388CS..PPolyproline II helixtrans-68143.3167.553.70000111L452S363-L452 PolarHBondContact N-O 3.49Å; S363-L452 PolarHBondContact OG-N 3.23Å; S363-L452 PolarHBondContact OG-O 2.85Å
364P79.1Confident75.2Confident14 Ų1461.3 Ų61.39%0.09138%0.378CS..PPolyproline II helixtrans-56.5149.8165.2-21.932.2000113C349 A369 L374C349-P364 HydrophobicContact CB-CG 3.65Å; P364-A369 HydrophobicContact CB-CB 4.45Å; P364-L374 HydrophobicContact CG-CD1 4.13Å
365E71.1Confident75Confident116 Ų11658.8 Ų58.854%0.54237%0.371SS..PPolyproline II helixtrans-74.3151.4170.3-62.1-171152.100111.6G367 G368E365-G367 PolarHBondContact O-N 2.85Å; E365-G368 PolarHBondContact O-N 3.26Å
366P56.4Low74.9Confident60 Ų6053 Ų5339%0.3934%0.34SS..THydrogen-bonded Turntrans-54.7106.4172.4-27.236.3000112.3P446 N448P366-P446 WeakPolarHBondContact CB-O 3.34Å; P366-P446 VanDerWaalsContact CG-O 3.29Å; P366-P446 WeakPolarHBondContact CG-O 3.47Å; P366-N448 WeakPolarHBondContact CG-O 3.47Å
367G56.1Low75Confident76 Ų7657.7 Ų57.778%0.78436%0.357SS*.THydrogen-bonded Turntrans121-23.3-175.200000114.3E365E365-G367 PolarHBondContact O-N 2.85Å
368G55Low75.2Confident46 Ų4653.8 Ų53.847%0.47433%0.333SS..THydrogen-bonded Turntrans-78-27.5171.800000113.4E365E365-G368 PolarHBondContact O-N 3.26Å
369A53.1Low75.4Confident36 Ų3649.3 Ų49.330%0.29831%0.31SS..SBendtrans-90.8123.5177.400000111.9P364 G371 L374P364-A369 HydrophobicContact CB-CB 4.45Å; A369-G371 PolarHBondContact O-N 2.91Å; A369-G371 VanDerWaalsContact O-N 3.12Å; A369-L374 HydrophobicContact CB-CD1 3.77Å
370V51.1Low75.7Confident161 Ų16149 Ų4998%0.97631%0.307SS*.SBendtrans-86.377176.2-173.90000110.2
371G57.1Low76Confident39 Ų3948.8 Ų48.840%0.40231%0.309SS..SBendtrans176.5157.717400000112.7A369A369-G371 PolarHBondContact O-N 2.91Å; A369-G371 VanDerWaalsContact O-N 3.12Å
372P61.6Low76.2Confident101 Ų10149.1 Ų49.166%0.65631%0.312SS*.SBendtrans-68.8-45.3170.826.2-30.3000111.3P446P372-P446 WeakPolarHBondContact O-CD 3.42Å
373N72.1Confident76.4Confident87 Ų8750.4 Ų50.447%0.46532%0.323SS..SBendtrans-96.2134.7178.3-5370.7000110.5S443N373-S443 CarbonylContact C-O 3.44Å; N373-S443 WeakPolarHBondContact CA-O 3.23Å
374L78.8Confident76.6Confident7 Ų758.5 Ų58.54%0.03736%0.36CS..EExtended strand (participates in β ladder)trans-103.8126.8175.1179.873.4000109.3P364 A369 L441 S443 P446 L451P364-L374 HydrophobicContact CG-CD1 4.13Å; A369-L374 HydrophobicContact CB-CD1 3.77Å; L374-L441 HydrophobicContact CD2-CD2 4.5Å; L374-S443 PolarHBondContact N-O 3.46Å; L374-S443 PolarHBondContact O-N 2.86Å; L374-P446 HydrophobicContact CB-CG 4.44Å; L374-L451 HydrophobicContact CD2-CD1 4.33Å
375T86.3Confident76.9Confident69 Ų6960.1 Ų60.142%0.42338%0.379SS..EExtended strand (participates in β ladder)trans-132.8101.8172.374.90000110.6R377 L441 L442T375-R377 PolarHBondContact OG1-NH1 2.04Å; T375-L441 CarbonylContact C-O 3.47Å; T375-L441 WeakPolarHBondContact CA-O 3.02Å; T375-L442 HydrophobicContact CG2-CD2 3.7Å
376C88.3Confident77.9Confident0 Ų058 Ų580%037%0.366CS..EExtended strand (participates in β ladder)trans-104.8136.2-178.8-53.40000110.6C349 W378 E440 L441C349-C376 WeakPolarHBondContact CA-SG 3.45Å; C349-C376 HydrophobicContact CB-CB 4.06Å; C349-C376 WeakPolarHBondContact CB-SG 3.46Å; C349-C376 WeakPolarHBondContact SG-CA 3.47Å; C349-C376 WeakPolarHBondContact SG-CB 3.03Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.33Å; C376-W378 HydrophobicContact CB-CE3 4.16Å; C376-W378 HydrophobicContact CB-CH2 3.22Å; C376-W378 HydrophobicContact CB-CZ2 3.59Å; C376-W378 HydrophobicContact CB-CZ3 3.53Å; C376-E440 WeakPolarHBondContact O-CA 3.06Å; C376-L441 HydrophobicContact CB-CB 4.43Å; C376-L441 PolarHBondContact N-O 3.03Å; C376-L441 PolarHBondContact O-N 2.78Å
377R91.7Very high79.5Confident102 Ų10258 Ų5839%0.38536%0.358SS..EExtended strand (participates in β ladder)trans-135103.9-175.4-70.1172.7178.292.712.6109.9G350 G351 T375 Y438 V439 E440G350-R377 CarbonylContact C-O 3.47Å; G350-R377 VanDerWaalsContact CA-C 3.47Å; G350-R377 WeakPolarHBondContact CA-O 3.48Å; G351-R377 PolarHBondContact N-O 2.83Å; T375-R377 PolarHBondContact OG1-NH1 2.04Å; R377-Y438 WeakPolarHBondContact CD-OH 3.36Å; R377-V439 CarbonylContact C-O 3.56Å; R377-V439 WeakPolarHBondContact CA-O 3.49Å; R377-E440 HydrophobicContact CG-CG 4.1Å; R377-E440 IonicContact CZ-OE1 3.12Å; R377-E440 IonicContact NE-OE1 3.3Å; R377-E440 PolarHBondContact NE-OE1 3.17Å; R377-E440 IonicContact NH2-OE1 2.7Å; R377-E440 PolarHBondContact NH2-OE1 3.43Å
378W93.4Very high81.3Confident3 Ų354.4 Ų54.41%0.01132%0.321CS..EExtended strand (participates in β ladder)trans-102.1136178.3-57.4-91.5000110.4S348 G350 G351 I361 V362 C376 V439 L441 L452S348-W378 PolarHBondContact O-NE1 3.05Å; G350-W378 VanDerWaalsContact CA-CD1 3.46Å; G350-W378 VanDerWaalsContact N-NE1 3.13Å; G351-W378 CarbonylContact O-C 3.6Å; G351-W378 WeakPolarHBondContact O-CA 3.2Å; I361-W378 HydrophobicContact CB-CD2 4.32Å; I361-W378 HydrophobicContact CB-CG 4.24Å; I361-W378 HydrophobicContact CD1-CB 4.03Å; I361-W378 HydrophobicContact CD1-CD2 3.84Å; I361-W378 HydrophobicContact CD1-CE3 3.99Å; I361-W378 HydrophobicContact CD1-CG 3.88Å; I361-W378 HydrophobicContact CG2-CB 4.47Å; I361-W378 HydrophobicContact CG2-CG 4.04Å; V362-W378 WeakPolarHBondContact O-CZ2 3.45Å; C376-W378 HydrophobicContact CB-CE3 4.16Å; C376-W378 HydrophobicContact CB-CH2 3.22Å; C376-W378 HydrophobicContact CB-CZ2 3.59Å; C376-W378 HydrophobicContact CB-CZ3 3.53Å; W378-V439 HydrophobicContact CB-CB 4.43Å; W378-V439 HydrophobicContact CE3-CB 4.23Å; W378-V439 HydrophobicContact CE3-CG1 4Å; W378-V439 HydrophobicContact CZ3-CG1 4.4Å; W378-V439 PolarHBondContact N-O 3.44Å; W378-V439 PolarHBondContact O-N 3.04Å; W378-L441 HydrophobicContact CH2-CB 4.28Å; W378-L441 HydrophobicContact CH2-CD2 4.3Å; W378-L441 HydrophobicContact CZ3-CB 3.84Å; W378-L452 HydrophobicContact CZ3-CD2 4.35Å
379V94.4Very high83.1Confident19 Ų1952.3 Ų52.312%0.11530%0.299CS..EExtended strand (participates in β ladder)trans-115.9116.8170.5-172.90000107.5G351 T352 I353 E381 L437 Y438G351-V379 PolarHBondContact O-N 3.01Å; T352-V379 CarbonylContact C-O 3.46Å; T352-V379 VanDerWaalsContact CA-O 3.31Å; T352-V379 WeakPolarHBondContact CA-O 3.48Å; T352-V379 HydrophobicContact CG2-CB 4.04Å; T352-V379 HydrophobicContact CG2-CG1 4.26Å; I353-V379 PolarHBondContact N-O 2.93Å; V379-E381 HydrophobicContact CG1-CG 4.08Å; V379-L437 WeakPolarHBondContact CA-O 3.49Å; V379-Y438 HydrophobicContact CG2-CD2 3.86Å; V379-Y438 HydrophobicContact CG2-CE2 4.24Å
380I94.7Very high84.9Confident0 Ų050.6 Ų50.60%029%0.285CS..EExtended strand (participates in β ladder)trans-106.4125.2179.9-50.2173.1000106.7A356 I361 L388 L390 S436 L437 F456A356-I380 HydrophobicContact CB-CG2 3.61Å; I361-I380 HydrophobicContact CD1-CD1 4.36Å; I380-L388 HydrophobicContact CB-CD1 3.99Å; I380-L388 HydrophobicContact CG2-CD1 3.74Å; I380-L388 HydrophobicContact CG2-CD2 3.83Å; I380-L388 HydrophobicContact CG2-CG 4.47Å; I380-L390 HydrophobicContact CD1-CD1 4.34Å; I380-S436 CarbonylContact O-C 3.56Å; I380-S436 WeakPolarHBondContact O-CA 3.47Å; I380-S436 WeakPolarHBondContact O-CB 3.34Å; I380-L437 HydrophobicContact CB-CB 4.42Å; I380-L437 PolarHBondContact N-O 3.48Å; I380-L437 PolarHBondContact O-N 2.04Å; I380-F456 HydrophobicContact CD1-CB 3.99Å; I380-F456 HydrophobicContact CD1-CD1 3.83Å; I380-F456 HydrophobicContact CD1-CG 3.91Å; I380-F456 HydrophobicContact CG2-CD2 3.84Å; I380-F456 HydrophobicContact CG2-CE2 4.15Å; I380-F456 HydrophobicContact CG2-CG 4.12Å
381E94Very high86.7Confident70 Ų7044.1 Ų44.133%0.32724%0.244SC..EExtended strand (participates in β ladder)trans-126.3112.2-177.9-59.6-178.2164.200109.8T352 I353 H354 N355 A356 V379T352-E381 HydrophobicContact CG2-CG 4.44Å; I353-E381 PolarHBondContact O-N 2.92Å; H354-E381 CarbonylContact C-O 3.4Å; H354-E381 IonicContact CE1-OE2 3.49Å; H354-E381 PolarHBondContact CE1-OE2 3.31Å; H354-E381 IonicContact CG-OE2 2.69Å; H354-E381 IonicContact ND1-OE2 3.85Å; H354-E381 PolarHBondContact ND1-OE2 2.81Å; N355-E381 CarbonylContact C-O 3.59Å; N355-E381 WeakPolarHBondContact CA-O 3.23Å; N355-E381 PolarHBondContact N-O 2.87Å; A356-E381 PolarHBondContact N-O 3.08Å; V379-E381 HydrophobicContact CG1-CG 4.08Å
382A94.2Very high88.2Confident9 Ų943.3 Ų43.37%0.07423%0.229CC..EExtended strand (participates in β ladder)trans-75.7173.3172.700000111.5R386 L388 Q435 A458A382-R386 HydrophobicContact CB-CB 3.94Å; A382-L388 HydrophobicContact CB-CD2 4.12Å; A382-L388 HydrophobicContact CB-CG 4.15Å; A382-Q435 PolarHBondContact N-O 2.83Å; A382-A458 HydrophobicContact CB-CB 3.79Å
383A91.9Very high89.3Confident32 Ų3240.8 Ų40.826%0.26421%0.209SC..PPolyproline II helixtrans-68.7158.2166.700000111.5G385 R386A383-G385 PolarHBondContact O-N 3.26Å; A383-R386 WeakPolarHBondContact O-CB 3.07Å; A383-R386 PolarHBondContact O-N 2.84Å
384E88.8Confident89.7Confident182 Ų18243.3 Ų43.385%0.8521%0.212SC*.THydrogen-bonded Turntrans-58.1135.6177.1-171.7174-173.100111.4
385G85.8Confident90Very high47 Ų4745.3 Ų45.349%0.48522%0.224SC..THydrogen-bonded Turntrans81.410.3-175.200000115.4A383A383-G385 PolarHBondContact O-N 3.26Å
386R90.8Very high89.9Confident71 Ų7144.5 Ų44.527%0.26822%0.222SC..EExtended strand (participates in β ladder)trans-114.9149.3174.5-65.8-170.4177.9168.9-3.1112.8A382 A383 Q435 F459 E460A382-R386 HydrophobicContact CB-CB 3.94Å; A383-R386 WeakPolarHBondContact O-CB 3.07Å; A383-R386 PolarHBondContact O-N 2.84Å; R386-Q435 VanDerWaalsContact O-CA 3.26Å; R386-Q435 WeakPolarHBondContact O-CA 3.38Å; R386-Q435 WeakPolarHBondContact O-CB 3.46Å; R386-F459 CarbonylContact C-O 3.57Å; R386-F459 WeakPolarHBondContact CA-O 3.19Å; R386-F459 WeakPolarHBondContact CB-O 3.29Å; R386-E460 HydrophobicContact CG-CG 3.68Å; R386-E460 IonicContact CZ-OE1 3.87Å; R386-E460 IonicContact NE-OE1 3.21Å; R386-E460 PolarHBondContact NE-OE1 3.39Å; R386-E460 VanDerWaalsContact NE-OE1 3.13Å; R386-E460 IonicContact NH2-OE1 3.35Å; R386-E460 PolarHBondContact NH2-OE1 3.25Å
387R91.4Very high89.7Confident61 Ų6146.2 Ų46.223%0.2323%0.23CC..EExtended strand (participates in β ladder)trans-105.5162.5169-64.9-177.3-178.3-157.710109.3S432 A458 F459 E461R387-S432 WeakPolarHBondContact CB-O 3.3Å; R387-S432 WeakPolarHBondContact CD-O 3.46Å; R387-S432 WeakPolarHBondContact CG-O 2.98Å; R387-A458 VanDerWaalsContact O-CA 3.31Å; R387-A458 WeakPolarHBondContact O-CA 3.02Å; R387-F459 HydrophobicContact CB-CD1 4.43Å; R387-F459 HydrophobicContact CB-CE1 3.83Å; R387-F459 HydrophobicContact CB-CE2 4.32Å; R387-F459 HydrophobicContact CB-CZ 3.77Å; R387-F459 PolarHBondContact N-O 2.86Å; R387-F459 WeakPolarHBondContact O-CD1 3.45Å; R387-F459 PolarHBondContact O-N 3.38Å; R387-E461 IonicContact CZ-OE1 3.27Å; R387-E461 IonicContact NE-OE1 3.02Å; R387-E461 PolarHBondContact NE-OE1 3.42Å; R387-E461 IonicContact NH2-OE1 2.82Å; R387-E461 PolarHBondContact NH2-OE1 3.49Å
388L93.3Very high89.3Confident0 Ų043.9 Ų43.90%023%0.226CC..EExtended strand (participates in β ladder)trans-110.1131.3177.1-70.2161.4000110.3A356 I380 A382 I431 S432 L437 E457 A458A356-L388 HydrophobicContact CB-CD2 4.12Å; I380-L388 HydrophobicContact CB-CD1 3.99Å; I380-L388 HydrophobicContact CG2-CD1 3.74Å; I380-L388 HydrophobicContact CG2-CD2 3.83Å; I380-L388 HydrophobicContact CG2-CG 4.47Å; A382-L388 HydrophobicContact CB-CD2 4.12Å; A382-L388 HydrophobicContact CB-CG 4.15Å; L388-I431 CarbonylContact O-C 3.5Å; L388-I431 WeakPolarHBondContact O-CA 3.44Å; L388-S432 WeakPolarHBondContact CB-OG 3.49Å; L388-S432 PolarHBondContact N-OG 3.47Å; L388-S432 PolarHBondContact O-N 3.32Å; L388-S432 PolarHBondContact O-OG 3.03Å; L388-L437 HydrophobicContact CB-CD1 3.67Å; L388-L437 HydrophobicContact CB-CG 4.12Å; L388-L437 HydrophobicContact CD1-CB 4.09Å; L388-L437 HydrophobicContact CD1-CD1 4.11Å; L388-L437 HydrophobicContact CD1-CG 3.92Å; L388-E457 CarbonylContact C-O 3.55Å; L388-E457 VanDerWaalsContact CA-O 3.29Å; L388-E457 WeakPolarHBondContact CA-O 3.41Å; L388-A458 HydrophobicContact CD2-CB 3.82Å
389H91.8Very high88.6Confident2 Ų253.1 Ų53.11%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-96.2138.2161.6-178.9-117.4000108.8R428 L430 F456 E457 F459 F465H389-R428 PolarHBondContact NE2-O 2.83Å; H389-L430 CarbonylContact C-O 3.59Å; H389-L430 WeakPolarHBondContact CA-O 3.36Å; H389-L430 PolarHBondContact CD2-O 2.95Å; H389-L430 VanDerWaalsContact CD2-O 3.28Å; H389-F456 VanDerWaalsContact O-CA 3.27Å; H389-F456 WeakPolarHBondContact O-CA 3.02Å; H389-E457 HydrophobicContact CB-CG 3.93Å; H389-E457 PolarHBondContact N-O 3.38Å; H389-E457 PolarHBondContact O-N 2.87Å; H389-F459 HydrophobicContact CB-CD1 4.34Å; H389-F459 HydrophobicContact CB-CE1 4.1Å; H389-F465 HydrophobicContact CB-CB 4.15Å; H389-F465 HydrophobicContact CB-CD2 4.34Å; H389-F465 HydrophobicContact CB-CG 4.16Å; H389-F465 AromaticContact CD2-CE2 3.96Å; H389-F465 AromaticContact CD2-CZ 3.99Å; H389-F465 AromaticContact CE1-CD2 3.74Å; H389-F465 AromaticContact CE1-CE2 3.39Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.43Å; H389-F465 AromaticContact CE1-CZ 3.99Å; H389-F465 AromaticContact CG-CD2 3.81Å; H389-F465 AromaticContact ND1-CD2 3.64Å; H389-F465 AromaticContact ND1-CE2 3.8Å; H389-F465 AromaticContact NE2-CE2 3.53Å; H389-F465 AromaticContact NE2-CZ 3.63Å
390L92.2Very high88Confident0 Ų059.6 Ų59.60%030%0.303CS..EExtended strand (participates in β ladder)trans-129.2109.6-178-174.472.6000109.2I380 V406 G429 L430 L437 V439 L454 R455 F456I380-L390 HydrophobicContact CD1-CD1 4.34Å; L390-V406 HydrophobicContact CD2-CG1 3.81Å; L390-V406 HydrophobicContact CD2-CG2 3.94Å; L390-G429 CarbonylContact O-C 3.54Å; L390-G429 WeakPolarHBondContact O-CA 3.13Å; L390-L430 HydrophobicContact CB-CB 4.49Å; L390-L430 PolarHBondContact N-O 3.18Å; L390-L430 PolarHBondContact O-N 3.34Å; L390-L437 HydrophobicContact CB-CD1 3.93Å; L390-L437 HydrophobicContact CD2-CD1 4.27Å; L390-V439 HydrophobicContact CD2-CG2 4.11Å; L390-L454 HydrophobicContact CD1-CB 3.93Å; L390-L454 HydrophobicContact CD1-CD1 4.31Å; L390-L454 HydrophobicContact CD2-CD1 4.12Å; L390-L454 HydrophobicContact CG-CB 4.49Å; L390-L454 HydrophobicContact CG-CD1 4.4Å; L390-R455 WeakPolarHBondContact CA-O 3.17Å; L390-F456 HydrophobicContact CD1-CB 3.99Å
391H88.9Confident87.4Confident26 Ų2662.8 Ų62.812%0.1232%0.32CS..EExtended strand (participates in β ladder)trans-109.2136.9-173.5176.7100.6000111.4L454 R455 F468H391-L454 WeakPolarHBondContact O-CA 3.18Å; H391-R455 VanDerWaalsContact CB-NH2 3.26Å; H391-R455 PolarHBondContact CD2-NH1 3.2Å; H391-R455 PolarHBondContact CD2-NH2 2.88Å; H391-R455 PolarHBondContact N-O 3.2Å; H391-R455 PolarHBondContact O-N 2.97Å; H391-F468 AromaticContact CD2-CD1 3.95Å; H391-F468 AromaticContact CE1-CD1 3.66Å; H391-F468 AromaticContact NE2-CD1 3.33Å; H391-F468 VanDerWaalsContact NE2-CD1 3.33Å; H391-F468 WeakPolarHBondContact NE2-CD1 3.28Å; H391-F468 AromaticContact NE2-CE1 3.45Å; H391-F468 WeakPolarHBondContact NE2-CE1 3.42Å
392F88.7Confident87.1Confident22 Ų2259.9 Ų59.910%0.09631%0.307CS..EExtended strand (participates in β ladder)trans-95.498.7-171.6-66.7-111.6000110V395 L404 V406 Y418 V425 P426 L430 L454F392-V395 HydrophobicContact CB-CG2 4.07Å; F392-V395 HydrophobicContact CD1-CG2 3.7Å; F392-V395 HydrophobicContact CG-CG2 4.38Å; F392-L404 HydrophobicContact CE1-CD2 3.88Å; F392-V406 HydrophobicContact CZ-CG2 4.48Å; F392-Y418 HydrophobicContact CE1-CD1 4.41Å; F392-Y418 HydrophobicContact CE1-CE1 4.07Å; F392-Y418 HydrophobicContact CZ-CD1 4.27Å; F392-Y418 HydrophobicContact CZ-CE1 4.36Å; F392-Y418 HydrophobicContact CZ-CG 4.44Å; F392-V425 HydrophobicContact CB-CG1 3.68Å; F392-V425 HydrophobicContact CD1-CG1 3.82Å; F392-V425 HydrophobicContact CG-CG1 3.8Å; F392-P426 HydrophobicContact CD2-CG 4.22Å; F392-P426 HydrophobicContact CE2-CG 3.89Å; F392-P426 HydrophobicContact CZ-CG 4.41Å; F392-L430 HydrophobicContact CE2-CD1 3.7Å; F392-L430 HydrophobicContact CE2-CG 3.88Å; F392-L430 HydrophobicContact CZ-CD1 3.63Å; F392-L430 HydrophobicContact CZ-CG 4.28Å; F392-L454 HydrophobicContact CB-CD2 4.04Å; F392-L454 HydrophobicContact CD1-CD2 3.33Å; F392-L454 HydrophobicContact CD2-CD2 4.25Å; F392-L454 HydrophobicContact CE1-CD2 3.79Å; F392-L454 HydrophobicContact CG-CD2 3.6Å; F392-L454 HydrophobicContact CZ-CD2 4.4Å
393E83Confident86.9Confident48 Ų4863.1 Ų63.122%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-88.9-32.2-176.7-60.3178.2144.700112.8R360 S453 R455R360-E393 IonicContact CZ-OE1 2.68Å; R360-E393 IonicContact CZ-OE2 3.9Å; R360-E393 IonicContact NE-OE2 3.54Å; R360-E393 IonicContact NH1-OE2 2.74Å; R360-E393 PolarHBondContact NH1-OE2 2.91Å; R360-E393 VanDerWaalsContact NH2-CD 3.32Å; R360-E393 IonicContact NH2-OE1 3.4Å; R360-E393 PolarHBondContact NH2-OE1 3.06Å; R360-E393 IonicContact NH2-OE2 3.27Å; R360-E393 PolarHBondContact NH2-OE2 2.83Å; E393-S453 PolarHBondContact N-O 3.39Å; E393-R455 HydrophobicContact CG-CB 4.23Å; E393-R455 IonicContact OE1-CZ 3.51Å; E393-R455 IonicContact OE1-NH1 3.55Å; E393-R455 PolarHBondContact OE1-NH1 3.41Å
394R82.2Confident86.9Confident139 Ų13961.6 Ų61.653%0.52530%0.304SS..EExtended strand (participates in β ladder)trans-145.4131.8170.4-64.8-173.2179139.74110.2L452 S453R394-L452 WeakPolarHBondContact O-CA 3.34Å; R394-S453 PolarHBondContact N-O 2.95Å; R394-S453 VanDerWaalsContact N-O 3.12Å; R394-S453 PolarHBondContact O-N 2.88Å
395V85.2Confident87.1Confident50 Ų5053.6 Ų53.630%0.30327%0.267SS..EExtended strand (participates in β ladder)trans-136.3125.5170.6-170.90000106.4F392 L397 V425 L452F392-V395 HydrophobicContact CB-CG2 4.07Å; F392-V395 HydrophobicContact CD1-CG2 3.7Å; F392-V395 HydrophobicContact CG-CG2 4.38Å; V395-L397 HydrophobicContact CG1-CD1 3.83Å; V395-L397 HydrophobicContact CG1-CG 3.75Å; V395-V425 HydrophobicContact CB-CG2 4.14Å; V395-V425 HydrophobicContact CG1-CG2 4.01Å; V395-V425 HydrophobicContact CG2-CG1 4.02Å; V395-V425 HydrophobicContact CG2-CG2 4.02Å; V395-L452 HydrophobicContact CG2-CD1 4.35Å
396S83.8Confident87.6Confident52 Ų5251.3 Ų51.336%0.36424%0.244SC..  trans-146.646.9-178.8-173.40000110.5N448 L450 L451S396-N448 PolarHBondContact O-ND2 2.98Å; S396-N448 VanDerWaalsContact O-ND2 3.09Å; S396-L450 WeakPolarHBondContact CB-O 3.48Å; S396-L451 PolarHBondContact N-O 2.76Å
397L83.4Confident87.9Confident35 Ų3549.4 Ų49.418%0.18324%0.237CC..  trans-74.1146.7-179.4-54.9176.6000110.7V395 D402 L404 L441V395-L397 HydrophobicContact CG1-CD1 3.83Å; V395-L397 HydrophobicContact CG1-CG 3.75Å; L397-D402 HydrophobicContact CB-CB 3.9Å; L397-D402 HydrophobicContact CD2-CB 4.14Å; L397-L404 HydrophobicContact CD1-CB 3.68Å; L397-L404 HydrophobicContact CD1-CD2 4.48Å; L397-L441 HydrophobicContact CD2-CD1 3.64Å
398D82.9Confident88Confident54 Ų5446.9 Ų46.929%0.28923%0.229SC..  trans-81.1116.1166.3-176.3-25.8000110.2D400 N401 D402D398-D400 PolarHBondContact O-N 3.23Å; D398-D400 VanDerWaalsContact O-N 3.13Å; D398-D400 PolarHBondContact OD1-N 2.92Å; D398-N401 HydrophobicContact CB-CB 4.15Å; D398-N401 VanDerWaalsContact CG-ND2 3.28Å; D398-N401 PolarHBondContact O-N 3.41Å; D398-N401 VanDerWaalsContact O-N 3.11Å; D398-N401 PolarHBondContact OD1-ND2 2.92Å; D398-N401 PolarHBondContact OD2-ND2 2.79Å; D398-D402 HydrophobicContact CB-CB 4.39Å; D398-D402 PolarHBondContact N-OD2 2.88Å; D398-D402 WeakPolarHBondContact O-CB 3.49Å; D398-D402 PolarHBondContact O-N 2.93Å
399E80Confident88Confident196 Ų19647.2 Ų47.292%0.91623%0.232SC*.THydrogen-bonded Turntrans-57.8-24.9-176.6-64.6175.9-173.800114.3
400D81.5Confident88Confident155 Ų15548.6 Ų48.683%0.82925%0.246SC*.THydrogen-bonded Turntrans-94-21.8178.5-83.6-44.6000113D398D398-D400 PolarHBondContact O-N 3.23Å; D398-D400 VanDerWaalsContact O-N 3.13Å; D398-D400 PolarHBondContact OD1-N 2.92Å
401N81.4Confident87.9Confident67 Ų6750.6 Ų50.636%0.35826%0.26SS..THydrogen-bonded Turntrans-128.6-13.9-164.7-60.6-68.5000115.9D398 E444D398-N401 HydrophobicContact CB-CB 4.15Å; D398-N401 VanDerWaalsContact CG-ND2 3.28Å; D398-N401 PolarHBondContact O-N 3.41Å; D398-N401 VanDerWaalsContact O-N 3.11Å; D398-N401 PolarHBondContact OD1-ND2 2.92Å; D398-N401 PolarHBondContact OD2-ND2 2.79Å; N401-E444 PolarHBondContact O-N 3.18Å
402D87.3Confident88Confident10 Ų1052.8 Ų52.85%0.05328%0.277CS..EExtended strand (participates in β ladder)trans-124.1142.7-176.1-61.5-23.8000111.6L397 D398 L442 S443 L451L397-D402 HydrophobicContact CB-CB 3.9Å; L397-D402 HydrophobicContact CD2-CB 4.14Å; D398-D402 HydrophobicContact CB-CB 4.39Å; D398-D402 PolarHBondContact N-OD2 2.88Å; D398-D402 WeakPolarHBondContact O-CB 3.49Å; D398-D402 PolarHBondContact O-N 2.93Å; D402-L442 CarbonylContact C-O 3.55Å; D402-L442 WeakPolarHBondContact CA-O 3.37Å; D402-S443 VanDerWaalsContact OD1-CA 3.26Å; D402-S443 WeakPolarHBondContact OD1-CA 3.49Å; D402-S443 WeakPolarHBondContact OD1-CB 3.44Å; D402-S443 PolarHBondContact OD1-OG 2.96Å; D402-L451 WeakPolarHBondContact OD2-CD2 3.41Å
403R89.9Confident88.2Confident76 Ų7659.7 Ų59.729%0.28731%0.314SS..EExtended strand (participates in β ladder)trans-140.7133.6177.6179.3174.4-173.6156.25.6113M405 D419 S420 D421 L441 L442R403-M405 HydrophobicContact CG-CE 4.31Å; R403-M405 HydrophobicContact CG-CG 4.26Å; R403-D419 IonicContact CZ-OD1 3.47Å; R403-D419 VanDerWaalsContact CZ-OD1 3.27Å; R403-D419 IonicContact CZ-OD2 3.7Å; R403-D419 IonicContact NE-OD1 3.36Å; R403-D419 PolarHBondContact NE-OD1 3.38Å; R403-D419 IonicContact NE-OD2 2.64Å; R403-D419 IonicContact NH2-OD1 3.89Å; R403-D419 PolarHBondContact NH2-OD1 3.12Å; R403-D419 IonicContact NH2-OD2 2.98Å; R403-D419 PolarHBondContact NH2-OD2 2.82Å; R403-S420 WeakPolarHBondContact CA-OG 3.03Å; R403-D421 WeakPolarHBondContact CD-OD1 3.28Å; R403-D421 WeakPolarHBondContact CG-OD1 3.32Å; R403-D421 VanDerWaalsContact CZ-CG 3.47Å; R403-D421 IonicContact CZ-OD1 3.63Å; R403-D421 IonicContact CZ-OD2 2.72Å; R403-D421 IonicContact NE-OD1 3.84Å; R403-D421 PolarHBondContact NE-OD1 3.09Å; R403-D421 IonicContact NE-OD2 2.69Å; R403-D421 PolarHBondContact NE-OD2 3.36Å; R403-D421 IonicContact NH1-OD1 3.13Å; R403-D421 IonicContact NH1-OD2 3.32Å; R403-D421 PolarHBondContact NH1-OD2 3.45Å; R403-D421 IonicContact NH2-OD2 3.53Å; R403-D421 PolarHBondContact NH2-OD2 3.24Å; R403-L441 WeakPolarHBondContact O-CA 3.29Å; R403-L442 PolarHBondContact N-O 2.8Å; R403-L442 PolarHBondContact O-N 3.36Å
404L92.4Very high88.7Confident0 Ų058.4 Ų58.40%031%0.311CS..EExtended strand (participates in β ladder)trans-117.6122.1173.8175.761.4000110.5F392 L397 Y418 S420 V439 E440 L441 L452F392-L404 HydrophobicContact CE1-CD2 3.88Å; L397-L404 HydrophobicContact CD1-CB 3.68Å; L397-L404 HydrophobicContact CD1-CD2 4.48Å; L404-Y418 HydrophobicContact CB-CE1 4.48Å; L404-Y418 HydrophobicContact CD2-CE1 4.19Å; L404-Y418 HydrophobicContact CG-CE1 4.18Å; L404-S420 PolarHBondContact N-OG 2.84Å; L404-S420 PolarHBondContact O-N 3.42Å; L404-S420 PolarHBondContact O-OG 3.21Å; L404-V439 HydrophobicContact CD1-CG1 3.71Å; L404-E440 WeakPolarHBondContact CA-O 3.22Å; L404-L441 HydrophobicContact CB-CD1 4.42Å; L404-L441 HydrophobicContact CD1-CB 4.44Å; L404-L452 HydrophobicContact CD1-CD2 3.74Å; L404-L452 HydrophobicContact CD2-CD1 3.61Å; L404-L452 HydrophobicContact CD2-CD2 4.02Å; L404-L452 HydrophobicContact CD2-CG 4.49Å; L404-L452 HydrophobicContact CG-CD2 4.49Å
405M94Very high89.4Confident14 Ų1456.1 Ų56.17%0.06931%0.314CS..EExtended strand (participates in β ladder)trans-119.2136.9173.7-70.1171.6-8100111R403 R407 Y418 D419 E440 L442R403-M405 HydrophobicContact CG-CE 4.31Å; R403-M405 HydrophobicContact CG-CG 4.26Å; M405-R407 VanDerWaalsContact CB-NH1 3.35Å; M405-R407 PolarHBondContact SD-NH2 3.09Å; M405-Y418 WeakPolarHBondContact CA-O 3.39Å; M405-D419 VanDerWaalsContact CG-OD1 3.22Å; M405-D419 WeakPolarHBondContact CG-OD1 3.48Å; M405-E440 HydrophobicContact CE-CG 4.44Å; M405-E440 PolarHBondContact N-O 2.74Å; M405-E440 PolarHBondContact O-N 3.24Å; M405-L442 HydrophobicContact CE-CD1 4.09Å
406V96.4Very high89.8Confident0 Ų057 Ų570%032%0.319CS..EExtended strand (participates in β ladder)trans-120135.3173.4-174.80000109.9L390 F392 I417 Y418 L430 L437 V439L390-V406 HydrophobicContact CD2-CG1 3.81Å; L390-V406 HydrophobicContact CD2-CG2 3.94Å; F392-V406 HydrophobicContact CZ-CG2 4.48Å; V406-I417 HydrophobicContact CB-CG1 4.24Å; V406-I417 HydrophobicContact CG1-CD1 4Å; V406-I417 HydrophobicContact CG1-CG1 3.93Å; V406-I417 PolarHBondContact O-N 2.78Å; V406-Y418 HydrophobicContact CG2-CD1 4.19Å; V406-Y418 PolarHBondContact N-O 2.97Å; V406-Y418 PolarHBondContact O-N 2.89Å; V406-L430 HydrophobicContact CB-CD1 3.95Å; V406-L430 HydrophobicContact CG1-CD1 4.05Å; V406-L430 HydrophobicContact CG2-CD1 4.02Å; V406-L437 HydrophobicContact CG1-CD2 3.95Å; V406-V439 HydrophobicContact CG1-CG2 4.33Å; V406-V439 HydrophobicContact CG2-CG1 4.43Å; V406-V439 HydrophobicContact CG2-CG2 4.42Å
407R95.8Very high90.3Very high30 Ų3056.8 Ų56.811%0.11331%0.313CS..EExtended strand (participates in β ladder)trans-127.1139.7-178.7-68.3170.1175.679.69.9112.6M405 G409 P412 S414 P415 V416 L437 Y438 E440M405-R407 VanDerWaalsContact CB-NH1 3.35Å; M405-R407 PolarHBondContact SD-NH2 3.09Å; R407-G409 PolarHBondContact O-N 2.75Å; R407-P412 PolarHBondContact NE-O 2.99Å; R407-S414 WeakPolarHBondContact CD-O 3.42Å; R407-S414 WeakPolarHBondContact CG-O 3.32Å; R407-P415 CarbonylContact C-O 3.6Å; R407-P415 WeakPolarHBondContact CA-O 3.37Å; R407-P415 WeakPolarHBondContact CB-O 3.44Å; R407-V416 HydrophobicContact CG-CB 4.44Å; R407-V416 HydrophobicContact CG-CG2 3.91Å; R407-L437 WeakPolarHBondContact O-CA 3.48Å; R407-L437 VanDerWaalsContact O-CD2 3.32Å; R407-L437 WeakPolarHBondContact O-CD2 3.46Å; R407-Y438 PolarHBondContact N-O 3.12Å; R407-Y438 PolarHBondContact O-N 2.85Å; R407-E440 IonicContact NH1-OE2 3.42Å
408S94.9Very high90.9Very high9 Ų955.4 Ų55.46%0.06331%0.306CS..EExtended strand (participates in β ladder)trans-78.896.3177.8-1680000110.3S414 P415 D433S408-S414 WeakPolarHBondContact O-CB 3.49Å; S408-P415 PolarHBondContact N-O 2.85Å; S408-D433 VanDerWaalsContact CB-OD2 3.3Å; S408-D433 WeakPolarHBondContact CB-OD2 3.34Å; S408-D433 PolarHBondContact OG-N 2.85Å; S408-D433 VanDerWaalsContact OG-N 3.1Å; S408-D433 PolarHBondContact OG-OD2 2.85Å
409G92.8Very high91.4Very high7 Ų754 Ų547%0.07230%0.298CS..SBendtrans115145.8-173.800000112.9R407 S411 S414 S436 Y438R407-G409 PolarHBondContact O-N 2.75Å; G409-S411 PolarHBondContact O-N 2.76Å; G409-S414 WeakPolarHBondContact O-CB 3.25Å; G409-S414 PolarHBondContact O-OG 2.78Å; G409-S436 WeakPolarHBondContact CA-O 3.31Å; G409-S436 WeakPolarHBondContact CA-OG 3.25Å; G409-S436 PolarHBondContact N-O 2.98Å; G409-Y438 WeakPolarHBondContact O-CB 3.4Å; G409-Y438 PolarHBondContact O-N 2.66Å
410G90.7Very high92Very high30 Ų3046.2 Ų46.231%0.30927%0.266SS..SBendtrans-71.337.1-172.100000117.7S436G410-S436 PolarHBondContact N-OG 3.43Å
411S91.1Very high92.4Very high42 Ų4242.8 Ų42.829%0.29425%0.247SC..SBendtrans-139.6152.3178.890.70000113.2G409 L413 S414G409-S411 PolarHBondContact O-N 2.76Å; S411-L413 PolarHBondContact O-N 2.77Å; S411-L413 PolarHBondContact OG-N 2.9Å; S411-S414 PolarHBondContact N-OG 2.82Å; S411-S414 VanDerWaalsContact O-CB 3.24Å; S411-S414 WeakPolarHBondContact O-CB 3.19Å; S411-S414 PolarHBondContact O-N 2.94Å; S411-S414 VanDerWaalsContact O-N 3.12Å; S411-S414 PolarHBondContact O-OG 2.9Å; S411-S414 PolarHBondContact OG-N 3.02Å; S411-S414 VanDerWaalsContact OG-N 3.12Å; S411-S414 PolarHBondContact OG-OG 2.83Å
412P90.3Very high92.8Very high73 Ų7346.4 Ų46.447%0.47426%0.264SS..THydrogen-bonded Turntrans-68.5-11.8174.428.8-35.5000113.5R407 Y438R407-P412 PolarHBondContact NE-O 2.99Å; P412-Y438 HydrophobicContact CB-CE1 3.96Å; P412-Y438 HydrophobicContact CB-CE2 4.37Å
413L92.9Very high92.9Very high166 Ų16649.6 Ų49.687%0.86928%0.281SS*.THydrogen-bonded Turntrans-95.5-1.7175.9-59.8179.5000112.8S411S411-L413 PolarHBondContact O-N 2.77Å; S411-L413 PolarHBondContact OG-N 2.9Å
414S94.9Very high92.8Very high22 Ų2253.5 Ų53.515%0.15431%0.307CS..SBendtrans-71.1155.2178.2-68.80000111.7R407 S408 G409 S411 V416R407-S414 WeakPolarHBondContact CD-O 3.42Å; R407-S414 WeakPolarHBondContact CG-O 3.32Å; S408-S414 WeakPolarHBondContact O-CB 3.49Å; G409-S414 WeakPolarHBondContact O-CB 3.25Å; G409-S414 PolarHBondContact O-OG 2.78Å; S411-S414 PolarHBondContact N-OG 2.82Å; S411-S414 VanDerWaalsContact O-CB 3.24Å; S411-S414 WeakPolarHBondContact O-CB 3.19Å; S411-S414 PolarHBondContact O-N 2.94Å; S411-S414 VanDerWaalsContact O-N 3.12Å; S411-S414 PolarHBondContact O-OG 2.9Å; S411-S414 PolarHBondContact OG-N 3.02Å; S411-S414 VanDerWaalsContact OG-N 3.12Å; S411-S414 PolarHBondContact OG-OG 2.83Å; S414-V416 PolarHBondContact O-N 2.87Å
415P95Very high92.6Very high90 Ų9056.5 Ų56.558%0.58433%0.325SS*.PPolyproline II helixtrans-54132.1178.2-26.135.1000112.4R407 S408R407-P415 CarbonylContact C-O 3.6Å; R407-P415 WeakPolarHBondContact CA-O 3.37Å; R407-P415 WeakPolarHBondContact CB-O 3.44Å; S408-P415 PolarHBondContact N-O 2.85Å
416V94.5Very high92.1Very high69 Ų6957.5 Ų57.542%0.41833%0.333SS..EExtended strand (participates in β ladder)trans-73.1134.4172.2-179.20000108.8R407 S414 Y418 D419R407-V416 HydrophobicContact CG-CB 4.44Å; R407-V416 HydrophobicContact CG-CG2 3.91Å; S414-V416 PolarHBondContact O-N 2.87Å; V416-Y418 WeakPolarHBondContact CG1-O 3.45Å; V416-D419 HydrophobicContact CG1-CB 4.14Å
417I94.5Very high91Very high47 Ų4766 Ų6624%0.24137%0.372CS..EExtended strand (participates in β ladder)trans-119.5-5.9175.859.7170.6000113V406 L430 L437V406-I417 HydrophobicContact CB-CG1 4.24Å; V406-I417 HydrophobicContact CG1-CD1 4Å; V406-I417 HydrophobicContact CG1-CG1 3.93Å; V406-I417 PolarHBondContact O-N 2.78Å; I417-L430 HydrophobicContact CD1-CB 4.31Å; I417-L430 HydrophobicContact CG1-CD1 4.48Å; I417-L437 HydrophobicContact CD1-CD2 3.85Å
418Y95.3Very high89.9Confident7 Ų770.7 Ų70.73%0.02739%0.39CS..EExtended strand (participates in β ladder)trans-163.7138.4171.2171.4-91.7000110.1F392 L404 M405 V406 V416 D423 P426 L430F392-Y418 HydrophobicContact CE1-CD1 4.41Å; F392-Y418 HydrophobicContact CE1-CE1 4.07Å; F392-Y418 HydrophobicContact CZ-CD1 4.27Å; F392-Y418 HydrophobicContact CZ-CE1 4.36Å; F392-Y418 HydrophobicContact CZ-CG 4.44Å; L404-Y418 HydrophobicContact CB-CE1 4.48Å; L404-Y418 HydrophobicContact CD2-CE1 4.19Å; L404-Y418 HydrophobicContact CG-CE1 4.18Å; M405-Y418 WeakPolarHBondContact CA-O 3.39Å; V406-Y418 HydrophobicContact CG2-CD1 4.19Å; V406-Y418 PolarHBondContact N-O 2.97Å; V406-Y418 PolarHBondContact O-N 2.89Å; V416-Y418 WeakPolarHBondContact CG1-O 3.45Å; Y418-D423 HydrophobicContact CD2-CB 3.82Å; Y418-D423 HydrophobicContact CE2-CB 3.92Å; Y418-P426 HydrophobicContact CD2-CG 4.42Å; Y418-L430 VanDerWaalsContact CB-CD1 3.43Å; Y418-L430 HydrophobicContact CG-CD1 4.02Å
419D94.1Very high89.5Confident23 Ų2370.7 Ų70.712%0.12339%0.392CS..EExtended strand (participates in β ladder)trans-142.1113.6177.2-162.1-3.3000110.1R403 M405 V416 D421 M422 D423R403-D419 IonicContact CZ-OD1 3.47Å; R403-D419 VanDerWaalsContact CZ-OD1 3.27Å; R403-D419 IonicContact CZ-OD2 3.7Å; R403-D419 IonicContact NE-OD1 3.36Å; R403-D419 PolarHBondContact NE-OD1 3.38Å; R403-D419 IonicContact NE-OD2 2.64Å; R403-D419 IonicContact NH2-OD1 3.89Å; R403-D419 PolarHBondContact NH2-OD1 3.12Å; R403-D419 IonicContact NH2-OD2 2.98Å; R403-D419 PolarHBondContact NH2-OD2 2.82Å; M405-D419 VanDerWaalsContact CG-OD1 3.22Å; M405-D419 WeakPolarHBondContact CG-OD1 3.48Å; V416-D419 HydrophobicContact CG1-CB 4.14Å; D419-D421 PolarHBondContact O-N 3.3Å; D419-M422 HydrophobicContact CB-CB 4.46Å; D419-M422 HydrophobicContact CB-CG 4.43Å; D419-M422 PolarHBondContact O-N 3.49Å; D419-D423 PolarHBondContact N-OD2 3.15Å; D419-D423 PolarHBondContact O-N 3.18Å
420S91.9Very high89.3Confident34 Ų3471.5 Ų71.524%0.23839%0.394CS..THydrogen-bonded Turntrans-61.6-19.2-171.9600000115.1R403 L404 M422R403-S420 WeakPolarHBondContact CA-OG 3.03Å; L404-S420 PolarHBondContact N-OG 2.84Å; L404-S420 PolarHBondContact O-N 3.42Å; L404-S420 PolarHBondContact O-OG 3.21Å; S420-M422 PolarHBondContact O-N 2.03Å
421D90.1Very high89.3Confident82 Ų8273.7 Ų73.744%0.43940%0.398SS..THydrogen-bonded Turntrans-69.1-20.8173.3-63.222.2000112.4R403 D419R403-D421 WeakPolarHBondContact CD-OD1 3.28Å; R403-D421 WeakPolarHBondContact CG-OD1 3.32Å; R403-D421 VanDerWaalsContact CZ-CG 3.47Å; R403-D421 IonicContact CZ-OD1 3.63Å; R403-D421 IonicContact CZ-OD2 2.72Å; R403-D421 IonicContact NE-OD1 3.84Å; R403-D421 PolarHBondContact NE-OD1 3.09Å; R403-D421 IonicContact NE-OD2 2.69Å; R403-D421 PolarHBondContact NE-OD2 3.36Å; R403-D421 IonicContact NH1-OD1 3.13Å; R403-D421 IonicContact NH1-OD2 3.32Å; R403-D421 PolarHBondContact NH1-OD2 3.45Å; R403-D421 IonicContact NH2-OD2 3.53Å; R403-D421 PolarHBondContact NH2-OD2 3.24Å; D419-D421 PolarHBondContact O-N 3.3Å
422M90Very high89.4Confident144 Ų14471.7 Ų71.771%0.70938%0.384SS*.THydrogen-bonded Turntrans-126.2-32-164.3-57.1-73.6122.500113.3D419 S420D419-M422 HydrophobicContact CB-CB 4.46Å; D419-M422 HydrophobicContact CB-CG 4.43Å; D419-M422 PolarHBondContact O-N 3.49Å; S420-M422 PolarHBondContact O-N 2.03Å
423D89.9Confident89.2Confident77 Ų7773.8 Ų73.841%0.41239%0.391SS..SBendtrans-120132.6-170.7-54.9-53.2000111.7Y418 D419Y418-D423 HydrophobicContact CD2-CB 3.82Å; Y418-D423 HydrophobicContact CE2-CB 3.92Å; D419-D423 PolarHBondContact N-OD2 3.15Å; D419-D423 PolarHBondContact O-N 3.18Å
424D88Confident88.9Confident158 Ų15867.4 Ų67.485%0.84536%0.363SS*.PPolyproline II helixtrans-64.5148.4167.2-72-58.9000111.3P426D424-P426 WeakPolarHBondContact O-CD 3.34Å
425V86.8Confident88.8Confident63 Ų6370.9 Ų70.938%0.38238%0.377SS..PPolyproline II helixtrans-57.4119.8179.4179.50000110.7F392 V395 E427F392-V425 HydrophobicContact CB-CG1 3.68Å; F392-V425 HydrophobicContact CD1-CG1 3.82Å; F392-V425 HydrophobicContact CG-CG1 3.8Å; V395-V425 HydrophobicContact CB-CG2 4.14Å; V395-V425 HydrophobicContact CG1-CG2 4.01Å; V395-V425 HydrophobicContact CG2-CG1 4.02Å; V395-V425 HydrophobicContact CG2-CG2 4.02Å; V425-E427 PolarHBondContact O-N 3.03Å
426P85Confident88.8Confident35 Ų3567.5 Ų67.523%0.22736%0.355CS..PPolyproline II helixtrans-75.3119.6-173.728.2-34.2000111.7F392 Y418 D424 R428 G429 L430F392-P426 HydrophobicContact CD2-CG 4.22Å; F392-P426 HydrophobicContact CE2-CG 3.89Å; F392-P426 HydrophobicContact CZ-CG 4.41Å; Y418-P426 HydrophobicContact CD2-CG 4.42Å; D424-P426 WeakPolarHBondContact O-CD 3.34Å; P426-R428 PolarHBondContact O-N 2.91Å; P426-G429 PolarHBondContact O-N 2.6Å; P426-L430 HydrophobicContact CG-CD2 3.98Å; P426-L430 HydrophobicContact CG-CG 3.95Å
427E73.1Confident88.8Confident177 Ų17764.2 Ų64.283%0.82734%0.335SS*.THydrogen-bonded Turntrans-53.7-37.5178.1-60.6-179.3144.200112.7V425 G429V425-E427 PolarHBondContact O-N 3.03Å; E427-G429 VanDerWaalsContact C-N 3.26Å; E427-G429 PolarHBondContact O-N 2.8Å
428R72.7Confident88.9Confident129 Ų12962.9 Ų62.949%0.48733%0.327SS..THydrogen-bonded Turntrans-77.8-4.7178.7-59.3-175.8-174.5-129.3-7.6113.9H389 P426 D518 T519H389-R428 PolarHBondContact NE2-O 2.83Å; P426-R428 PolarHBondContact O-N 2.91Å; R428-D518 IonicContact NH2-OD1 3.96Å; R428-T519 HydrophobicContact CG-CG2 3.76Å; R428-T519 VanDerWaalsContact CZ-CG2 3.4Å; R428-T519 VanDerWaalsContact NE-CG2 3.29Å; R428-T519 VanDerWaalsContact NH2-CG2 3.31Å
429G85.2Confident88.8Confident10 Ų1062.6 Ų62.610%0.10333%0.326CS..  trans66.9-162.7-16300000113.1L390 P426 E427L390-G429 CarbonylContact O-C 3.54Å; L390-G429 WeakPolarHBondContact O-CA 3.13Å; P426-G429 PolarHBondContact O-N 2.6Å; E427-G429 VanDerWaalsContact C-N 3.26Å; E427-G429 PolarHBondContact O-N 2.8Å
430L90.6Very high88.8Confident23 Ų2362.5 Ų62.512%0.1233%0.325CS..EExtended strand (participates in β ladder)trans-121.3150.7179.7-65.3165.8000110.8H389 L390 F392 V406 I417 Y418 P426H389-L430 CarbonylContact C-O 3.59Å; H389-L430 WeakPolarHBondContact CA-O 3.36Å; H389-L430 PolarHBondContact CD2-O 2.95Å; H389-L430 VanDerWaalsContact CD2-O 3.28Å; L390-L430 HydrophobicContact CB-CB 4.49Å; L390-L430 PolarHBondContact N-O 3.18Å; L390-L430 PolarHBondContact O-N 3.34Å; F392-L430 HydrophobicContact CE2-CD1 3.7Å; F392-L430 HydrophobicContact CE2-CG 3.88Å; F392-L430 HydrophobicContact CZ-CD1 3.63Å; F392-L430 HydrophobicContact CZ-CG 4.28Å; V406-L430 HydrophobicContact CB-CD1 3.95Å; V406-L430 HydrophobicContact CG1-CD1 4.05Å; V406-L430 HydrophobicContact CG2-CD1 4.02Å; I417-L430 HydrophobicContact CD1-CB 4.31Å; I417-L430 HydrophobicContact CG1-CD1 4.48Å; Y418-L430 VanDerWaalsContact CB-CD1 3.43Å; Y418-L430 HydrophobicContact CG-CD1 4.02Å; P426-L430 HydrophobicContact CG-CD2 3.98Å; P426-L430 HydrophobicContact CG-CG 3.95Å
431I89.7Confident88.8Confident76 Ų7660.9 Ų60.939%0.3931%0.314SS..EExtended strand (participates in β ladder)trans-116.9140.2172.2-61.6171.5000108.2L388 F459 F465L388-I431 CarbonylContact O-C 3.5Å; L388-I431 WeakPolarHBondContact O-CA 3.44Å; I431-F459 HydrophobicContact CG2-CE1 4.26Å; I431-F459 HydrophobicContact CG2-CZ 3.85Å; I431-F465 HydrophobicContact CD1-CD1 4.1Å; I431-F465 HydrophobicContact CD1-CE1 3.88Å; I431-F465 HydrophobicContact CG1-CE1 4.5Å
432S92.2Very high88.7Confident0 Ų059.5 Ų59.50%031%0.306CS..  trans-90.7137.5173.570.70000112.6R387 L388 A434R387-S432 WeakPolarHBondContact CB-O 3.3Å; R387-S432 WeakPolarHBondContact CD-O 3.46Å; R387-S432 WeakPolarHBondContact CG-O 2.98Å; L388-S432 WeakPolarHBondContact CB-OG 3.49Å; L388-S432 PolarHBondContact N-OG 3.47Å; L388-S432 PolarHBondContact O-N 3.32Å; L388-S432 PolarHBondContact O-OG 3.03Å; S432-A434 VanDerWaalsContact C-N 3.26Å; S432-A434 VanDerWaalsContact CB-O 3.31Å; S432-A434 WeakPolarHBondContact CB-O 2.93Å; S432-A434 PolarHBondContact OG-O 3.44Å
433D87.7Confident88.4Confident117 Ų11752.8 Ų52.863%0.62627%0.273SS*.SBendtrans-76.2-18.8168.8-31.6-88.9000111.9S408S408-D433 VanDerWaalsContact CB-OD2 3.3Å; S408-D433 WeakPolarHBondContact CB-OD2 3.34Å; S408-D433 PolarHBondContact OG-N 2.85Å; S408-D433 VanDerWaalsContact OG-N 3.1Å; S408-D433 PolarHBondContact OG-OD2 2.85Å
434A86.9Confident87.8Confident32 Ų3255.1 Ų55.126%0.26428%0.281SS..SBendtrans-109.3159.4179.400000111.8S432 S436S432-A434 VanDerWaalsContact C-N 3.26Å; S432-A434 VanDerWaalsContact CB-O 3.31Å; S432-A434 WeakPolarHBondContact CB-O 2.93Å; S432-A434 PolarHBondContact OG-O 3.44Å; A434-S436 PolarHBondContact O-N 2.82Å
435Q91.9Very high87Confident96 Ų9651.1 Ų51.145%0.44926%0.263SS..SBendtrans-66.19.3172.272.3-173.713.600115.1A382 R386A382-Q435 PolarHBondContact N-O 2.83Å; R386-Q435 VanDerWaalsContact O-CA 3.26Å; R386-Q435 WeakPolarHBondContact O-CA 3.38Å; R386-Q435 WeakPolarHBondContact O-CB 3.46Å
436S94.3Very high85.9Confident18 Ų1849.4 Ų49.413%0.12625%0.253CS..EExtended strand (participates in β ladder)trans-149.3156-178.448.40000112.2I380 G409 G410 A434I380-S436 CarbonylContact O-C 3.56Å; I380-S436 WeakPolarHBondContact O-CA 3.47Å; I380-S436 WeakPolarHBondContact O-CB 3.34Å; G409-S436 WeakPolarHBondContact CA-O 3.31Å; G409-S436 WeakPolarHBondContact CA-OG 3.25Å; G409-S436 PolarHBondContact N-O 2.98Å; G410-S436 PolarHBondContact N-OG 3.43Å; A434-S436 PolarHBondContact O-N 2.82Å
437L95.6Very high84.6Confident0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-127.8142.1174.5-77.7172.7000109.8V379 I380 L388 L390 V406 R407 I417V379-L437 WeakPolarHBondContact CA-O 3.49Å; I380-L437 HydrophobicContact CB-CB 4.42Å; I380-L437 PolarHBondContact N-O 3.48Å; I380-L437 PolarHBondContact O-N 2.04Å; L388-L437 HydrophobicContact CB-CD1 3.67Å; L388-L437 HydrophobicContact CB-CG 4.12Å; L388-L437 HydrophobicContact CD1-CB 4.09Å; L388-L437 HydrophobicContact CD1-CD1 4.11Å; L388-L437 HydrophobicContact CD1-CG 3.92Å; L390-L437 HydrophobicContact CB-CD1 3.93Å; L390-L437 HydrophobicContact CD2-CD1 4.27Å; V406-L437 HydrophobicContact CG1-CD2 3.95Å; R407-L437 WeakPolarHBondContact O-CA 3.48Å; R407-L437 VanDerWaalsContact O-CD2 3.32Å; R407-L437 WeakPolarHBondContact O-CD2 3.46Å; I417-L437 HydrophobicContact CD1-CD2 3.85Å
438Y95.2Very high84Confident20 Ų2046.2 Ų46.28%0.07825%0.251CS..EExtended strand (participates in β ladder)trans-114.1116.9169.4-178.5-82.1000108.8R377 V379 R407 G409 P412 E440R377-Y438 WeakPolarHBondContact CD-OH 3.36Å; V379-Y438 HydrophobicContact CG2-CD2 3.86Å; V379-Y438 HydrophobicContact CG2-CE2 4.24Å; R407-Y438 PolarHBondContact N-O 3.12Å; R407-Y438 PolarHBondContact O-N 2.85Å; G409-Y438 WeakPolarHBondContact O-CB 3.4Å; G409-Y438 PolarHBondContact O-N 2.66Å; P412-Y438 HydrophobicContact CB-CE1 3.96Å; P412-Y438 HydrophobicContact CB-CE2 4.37Å; Y438-E440 HydrophobicContact CE1-CB 3.89Å
439V94.9Very high83.1Confident0 Ų044 Ų440%025%0.253CS..EExtended strand (participates in β ladder)trans-114.2124.6-178.3-176.40000108.8I361 R377 W378 L390 L404 V406 L454I361-V439 HydrophobicContact CD1-CB 4.23Å; I361-V439 HydrophobicContact CD1-CG1 4.14Å; I361-V439 HydrophobicContact CD1-CG2 4.22Å; R377-V439 CarbonylContact C-O 3.56Å; R377-V439 WeakPolarHBondContact CA-O 3.49Å; W378-V439 HydrophobicContact CB-CB 4.43Å; W378-V439 HydrophobicContact CE3-CB 4.23Å; W378-V439 HydrophobicContact CE3-CG1 4Å; W378-V439 HydrophobicContact CZ3-CG1 4.4Å; W378-V439 PolarHBondContact N-O 3.44Å; W378-V439 PolarHBondContact O-N 3.04Å; L390-V439 HydrophobicContact CD2-CG2 4.11Å; L404-V439 HydrophobicContact CD1-CG1 3.71Å; V406-V439 HydrophobicContact CG1-CG2 4.33Å; V406-V439 HydrophobicContact CG2-CG1 4.43Å; V406-V439 HydrophobicContact CG2-CG2 4.42Å; V439-L454 HydrophobicContact CG1-CD1 4.08Å
440E93.6Very high81.8Confident22 Ų2247.7 Ų47.710%0.10327%0.27CS..EExtended strand (participates in β ladder)trans-124.7120179.3-178.2167.5-139.200110.3C376 R377 L404 M405 R407 Y438 L442C376-E440 WeakPolarHBondContact O-CA 3.06Å; R377-E440 HydrophobicContact CG-CG 4.1Å; R377-E440 IonicContact CZ-OE1 3.12Å; R377-E440 IonicContact NE-OE1 3.3Å; R377-E440 PolarHBondContact NE-OE1 3.17Å; R377-E440 IonicContact NH2-OE1 2.7Å; R377-E440 PolarHBondContact NH2-OE1 3.43Å; L404-E440 WeakPolarHBondContact CA-O 3.22Å; M405-E440 HydrophobicContact CE-CG 4.44Å; M405-E440 PolarHBondContact N-O 2.74Å; M405-E440 PolarHBondContact O-N 3.24Å; R407-E440 IonicContact NH1-OE2 3.42Å; Y438-E440 HydrophobicContact CE1-CB 3.89Å; E440-L442 HydrophobicContact CG-CD2 4.03Å; E440-L442 HydrophobicContact CG-CG 4.23Å
441L90.9Very high80.9Confident0 Ų046.7 Ų46.70%027%0.265CS..EExtended strand (participates in β ladder)trans-109.3126.2171.8174.866.2000108.7L374 T375 C376 W378 L397 R403 L404 L452L374-L441 HydrophobicContact CD2-CD2 4.5Å; T375-L441 CarbonylContact C-O 3.47Å; T375-L441 WeakPolarHBondContact CA-O 3.02Å; C376-L441 HydrophobicContact CB-CB 4.43Å; C376-L441 PolarHBondContact N-O 3.03Å; C376-L441 PolarHBondContact O-N 2.78Å; W378-L441 HydrophobicContact CH2-CB 4.28Å; W378-L441 HydrophobicContact CH2-CD2 4.3Å; W378-L441 HydrophobicContact CZ3-CB 3.84Å; L397-L441 HydrophobicContact CD2-CD1 3.64Å; R403-L441 WeakPolarHBondContact O-CA 3.29Å; L404-L441 HydrophobicContact CB-CD1 4.42Å; L404-L441 HydrophobicContact CD1-CB 4.44Å; L441-L452 HydrophobicContact CB-CD2 4.34Å; L441-L452 HydrophobicContact CD1-CD2 4.47Å; L441-L452 HydrophobicContact CD2-CB 4.17Å; L441-L452 HydrophobicContact CD2-CD2 4.01Å
442L88.8Confident80.7Confident52 Ų5243.3 Ų43.327%0.27225%0.248SC..EExtended strand (participates in β ladder)trans-117.1138.9172.2-52.8176.8000108T375 D402 R403 M405 E440T375-L442 HydrophobicContact CG2-CD2 3.7Å; D402-L442 CarbonylContact C-O 3.55Å; D402-L442 WeakPolarHBondContact CA-O 3.37Å; R403-L442 PolarHBondContact N-O 2.8Å; R403-L442 PolarHBondContact O-N 3.36Å; M405-L442 HydrophobicContact CE-CD1 4.09Å; E440-L442 HydrophobicContact CG-CD2 4.03Å; E440-L442 HydrophobicContact CG-CG 4.23Å
443S83.9Confident80.5Confident3 Ų343.7 Ų43.72%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-149.8125.4176.2169.10000109.1N373 L374 D402N373-S443 CarbonylContact C-O 3.44Å; N373-S443 WeakPolarHBondContact CA-O 3.23Å; L374-S443 PolarHBondContact N-O 3.46Å; L374-S443 PolarHBondContact O-N 2.86Å; D402-S443 VanDerWaalsContact OD1-CA 3.26Å; D402-S443 WeakPolarHBondContact OD1-CA 3.49Å; D402-S443 WeakPolarHBondContact OD1-CB 3.44Å; D402-S443 PolarHBondContact OD1-OG 2.96Å
444E77.5Confident80.6Confident126 Ų12638.1 Ų38.159%0.58922%0.22SC*.SBendtrans-85.7-22.5178.3-62.2-144.9163.900113.3N401N401-E444 PolarHBondContact O-N 3.18Å
445T71.6Confident80.8Confident74 Ų7437.5 Ų37.545%0.45421%0.211SC..  trans-142.891.6175.149.60000111.3A447T445-A447 PolarHBondContact O-N 3.25Å
446P63.3Low80.7Confident28 Ų2833.2 Ų33.218%0.18219%0.191CC..  trans-73.475.3176.730.8-34.9000110.6P366 P372 L374 L451P366-P446 WeakPolarHBondContact CB-O 3.34Å; P366-P446 VanDerWaalsContact CG-O 3.29Å; P366-P446 WeakPolarHBondContact CG-O 3.47Å; P372-P446 WeakPolarHBondContact O-CD 3.42Å; L374-P446 HydrophobicContact CB-CG 4.44Å; P446-L451 HydrophobicContact CB-CD1 3.9Å
447A57.9Low80.6Confident81 Ų8133.4 Ų33.467%0.66919%0.19SC*.  trans-91.4-24.2178.800000112.6T445T445-A447 PolarHBondContact O-N 3.25Å
448N58.8Low80.4Confident63 Ų6334.1 Ų34.134%0.33720%0.196SC..  trans-86.5132.1179.4-72.9-25.6000111.2P366 S396 L450 L451P366-N448 WeakPolarHBondContact CG-O 3.47Å; S396-N448 PolarHBondContact O-ND2 2.98Å; S396-N448 VanDerWaalsContact O-ND2 3.09Å; N448-L450 VanDerWaalsContact C-N 3.29Å; N448-L450 PolarHBondContact O-N 2.92Å; N448-L451 HydrophobicContact CB-CD2 4.04Å; N448-L451 HydrophobicContact CB-CG 4.25Å
449P55.4Low80.3Confident82 Ų8234.1 Ų34.153%0.53220%0.197SC..THydrogen-bonded Turntrans-76.1-8.1-177.529.2-34.9000115.4
450L57.1Low80Confident89 Ų8937 Ų3747%0.46621%0.21SC..THydrogen-bonded Turntrans-13542.1-171.6-67.1174.4000112.7S396 N448 L452S396-L450 WeakPolarHBondContact CB-O 3.48Å; N448-L450 VanDerWaalsContact C-N 3.29Å; N448-L450 PolarHBondContact O-N 2.92Å; L450-L452 PolarHBondContact O-N 2.86Å
451L71.6Confident79.6Confident1 Ų141.3 Ų41.31%0.00523%0.23CC..  trans-50.4-50.6-173.7-72.7159000113.9L374 S396 D402 P446 N448L374-L451 HydrophobicContact CD2-CD1 4.33Å; S396-L451 PolarHBondContact N-O 2.76Å; D402-L451 WeakPolarHBondContact OD2-CD2 3.41Å; P446-L451 HydrophobicContact CB-CD1 3.9Å; N448-L451 HydrophobicContact CB-CD2 4.04Å; N448-L451 HydrophobicContact CB-CG 4.25Å
452L85.3Confident79.5Confident5 Ų544.6 Ų44.63%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-151.2130.6-173.7-170.160.1000114.2V362 S363 W378 R394 V395 L404 L441 L450 L454V362-L452 WeakPolarHBondContact CA-O 3.42Å; S363-L452 PolarHBondContact N-O 3.49Å; S363-L452 PolarHBondContact OG-N 3.23Å; S363-L452 PolarHBondContact OG-O 2.85Å; W378-L452 HydrophobicContact CZ3-CD2 4.35Å; R394-L452 WeakPolarHBondContact O-CA 3.34Å; V395-L452 HydrophobicContact CG2-CD1 4.35Å; L404-L452 HydrophobicContact CD1-CD2 3.74Å; L404-L452 HydrophobicContact CD2-CD1 3.61Å; L404-L452 HydrophobicContact CD2-CD2 4.02Å; L404-L452 HydrophobicContact CD2-CG 4.49Å; L404-L452 HydrophobicContact CG-CD2 4.49Å; L441-L452 HydrophobicContact CB-CD2 4.34Å; L441-L452 HydrophobicContact CD1-CD2 4.47Å; L441-L452 HydrophobicContact CD2-CB 4.17Å; L441-L452 HydrophobicContact CD2-CD2 4.01Å; L450-L452 PolarHBondContact O-N 2.86Å; L452-L454 HydrophobicContact CD1-CD1 4.16Å; L452-L454 HydrophobicContact CD1-CD2 3.7Å; L452-L454 HydrophobicContact CD1-CG 3.73Å; L452-L454 HydrophobicContact CD2-CD1 4.1Å; L452-L454 HydrophobicContact CD2-CG 4.32Å; L452-L454 HydrophobicContact CG-CD1 4.3Å; L452-L454 HydrophobicContact CG-CD2 4.47Å; L452-L454 HydrophobicContact CG-CG 3.96Å
453S87.6Confident79.6Confident8 Ų843.7 Ų43.76%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-136.9115.1162.7-164.50000110.1R360 V362 E393 R394R360-S453 PolarHBondContact NH1-OG 2.84Å; R360-S453 VanDerWaalsContact NH1-OG 3.08Å; V362-S453 WeakPolarHBondContact CG1-OG 3.42Å; E393-S453 PolarHBondContact N-O 3.39Å; R394-S453 PolarHBondContact N-O 2.95Å; R394-S453 VanDerWaalsContact N-O 3.12Å; R394-S453 PolarHBondContact O-N 2.88Å
454L90.4Very high80Confident0 Ų043.7 Ų43.70%024%0.24CC..EExtended strand (participates in β ladder)trans-117.3132.8177.6-55.3176.1000109.5R360 I361 L390 H391 F392 V439 L452R360-L454 CarbonylContact C-O 3.59Å; R360-L454 VanDerWaalsContact CA-O 3.31Å; R360-L454 WeakPolarHBondContact CA-O 3.33Å; I361-L454 HydrophobicContact CD1-CB 4.37Å; I361-L454 HydrophobicContact CD1-CD1 4.15Å; I361-L454 HydrophobicContact CG1-CB 3.86Å; I361-L454 HydrophobicContact CG1-CD1 4.47Å; I361-L454 PolarHBondContact N-O 2.03Å; I361-L454 PolarHBondContact O-N 3.41Å; L390-L454 HydrophobicContact CD1-CB 3.93Å; L390-L454 HydrophobicContact CD1-CD1 4.31Å; L390-L454 HydrophobicContact CD2-CD1 4.12Å; L390-L454 HydrophobicContact CG-CB 4.49Å; L390-L454 HydrophobicContact CG-CD1 4.4Å; H391-L454 WeakPolarHBondContact O-CA 3.18Å; F392-L454 HydrophobicContact CB-CD2 4.04Å; F392-L454 HydrophobicContact CD1-CD2 3.33Å; F392-L454 HydrophobicContact CD2-CD2 4.25Å; F392-L454 HydrophobicContact CE1-CD2 3.79Å; F392-L454 HydrophobicContact CG-CD2 3.6Å; F392-L454 HydrophobicContact CZ-CD2 4.4Å; V439-L454 HydrophobicContact CG1-CD1 4.08Å; L452-L454 HydrophobicContact CD1-CD1 4.16Å; L452-L454 HydrophobicContact CD1-CD2 3.7Å; L452-L454 HydrophobicContact CD1-CG 3.73Å; L452-L454 HydrophobicContact CD2-CD1 4.1Å; L452-L454 HydrophobicContact CD2-CG 4.32Å; L452-L454 HydrophobicContact CG-CD1 4.3Å; L452-L454 HydrophobicContact CG-CD2 4.47Å; L452-L454 HydrophobicContact CG-CG 3.96Å
455R90.3Very high80.5Confident19 Ų1938.6 Ų38.67%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-99.1137.9170.2-169.7-173.567.1-95.1-8.2108.8L358 G359 L390 H391 E393 F468L358-R455 HydrophobicContact CD1-CG 4.44Å; G359-R455 CarbonylContact O-C 3.49Å; G359-R455 WeakPolarHBondContact O-CA 3.15Å; G359-R455 WeakPolarHBondContact O-CG 3.49Å; L390-R455 WeakPolarHBondContact CA-O 3.17Å; H391-R455 VanDerWaalsContact CB-NH2 3.26Å; H391-R455 PolarHBondContact CD2-NH1 3.2Å; H391-R455 PolarHBondContact CD2-NH2 2.88Å; H391-R455 PolarHBondContact N-O 3.2Å; H391-R455 PolarHBondContact O-N 2.97Å; E393-R455 HydrophobicContact CG-CB 4.23Å; E393-R455 IonicContact OE1-CZ 3.51Å; E393-R455 IonicContact OE1-NH1 3.55Å; E393-R455 PolarHBondContact OE1-NH1 3.41Å; R455-F468 VanDerWaalsContact CZ-CD2 3.44Å; R455-F468 VanDerWaalsContact NH1-CG 3.33Å; R455-F468 VanDerWaalsContact NH1-CZ 3.27Å
456F91.8Very high81.3Confident7 Ų736.4 Ų36.43%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-121.7148.2175.265.4-94.2000110.8I353 A356 L358 G359 I361 I380 H389 L390I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.68Å; I353-F456 HydrophobicContact CG2-CE2 4.32Å; I353-F456 HydrophobicContact CG2-CZ 3.95Å; A356-F456 HydrophobicContact CB-CD2 4.15Å; A356-F456 HydrophobicContact CB-CE2 3.8Å; L358-F456 CarbonylContact C-O 3.51Å; L358-F456 WeakPolarHBondContact CA-O 3.42Å; G359-F456 VanDerWaalsContact C-CE1 3.4Å; G359-F456 PolarHBondContact N-O 2.95Å; G359-F456 PolarHBondContact O-N 3.42Å; I361-F456 HydrophobicContact CG2-CD1 4.35Å; I361-F456 HydrophobicContact CG2-CE1 4.09Å; I380-F456 HydrophobicContact CD1-CB 3.99Å; I380-F456 HydrophobicContact CD1-CD1 3.83Å; I380-F456 HydrophobicContact CD1-CG 3.91Å; I380-F456 HydrophobicContact CG2-CD2 3.84Å; I380-F456 HydrophobicContact CG2-CE2 4.15Å; I380-F456 HydrophobicContact CG2-CG 4.12Å; H389-F456 VanDerWaalsContact O-CA 3.27Å; H389-F456 WeakPolarHBondContact O-CA 3.02Å; L390-F456 HydrophobicContact CD1-CB 3.99Å
457E91.4Very high82.5Confident21 Ų2135.5 Ų35.510%0.09820%0.2CC..EExtended strand (participates in β ladder)trans-142.1153.2169.560.4172.8-110.800111.3T357 L358 L388 H389 A466T357-E457 CarbonylContact O-C 3.6Å; T357-E457 WeakPolarHBondContact O-CA 3.04Å; L358-E457 HydrophobicContact CD1-CB 3.9Å; L388-E457 CarbonylContact C-O 3.55Å; L388-E457 VanDerWaalsContact CA-O 3.29Å; L388-E457 WeakPolarHBondContact CA-O 3.41Å; H389-E457 HydrophobicContact CB-CG 3.93Å; H389-E457 PolarHBondContact N-O 3.38Å; H389-E457 PolarHBondContact O-N 2.87Å; E457-A466 WeakPolarHBondContact OE1-CA 3.33Å; E457-A466 WeakPolarHBondContact OE1-CB 3.04Å; E457-A466 PolarHBondContact OE1-N 2.85Å
458A92.1Very high83.6Confident15 Ų1534.3 Ų34.312%0.12418%0.18CC..EExtended strand (participates in β ladder)trans-115.3114.9-178.500000110.6A356 T357 A382 R387 L388A356-A458 WeakPolarHBondContact O-CB 3.48Å; T357-A458 PolarHBondContact O-N 2.88Å; A382-A458 HydrophobicContact CB-CB 3.79Å; R387-A458 VanDerWaalsContact O-CA 3.31Å; R387-A458 WeakPolarHBondContact O-CA 3.02Å; L388-A458 HydrophobicContact CD2-CB 3.82Å
459F91.3Very high84.8Confident21 Ų2131.8 Ų31.89%0.09217%0.166CC..EExtended strand (participates in β ladder)trans-115.6158.1-177.968.9-77.9000110.7R386 R387 H389 I431 F465R386-F459 CarbonylContact C-O 3.57Å; R386-F459 WeakPolarHBondContact CA-O 3.19Å; R386-F459 WeakPolarHBondContact CB-O 3.29Å; R387-F459 HydrophobicContact CB-CD1 4.43Å; R387-F459 HydrophobicContact CB-CE1 3.83Å; R387-F459 HydrophobicContact CB-CE2 4.32Å; R387-F459 HydrophobicContact CB-CZ 3.77Å; R387-F459 PolarHBondContact N-O 2.86Å; R387-F459 WeakPolarHBondContact O-CD1 3.45Å; R387-F459 PolarHBondContact O-N 3.38Å; H389-F459 HydrophobicContact CB-CD1 4.34Å; H389-F459 HydrophobicContact CB-CE1 4.1Å; I431-F459 HydrophobicContact CG2-CE1 4.26Å; I431-F459 HydrophobicContact CG2-CZ 3.85Å; F459-F465 HydrophobicContact CB-CB 4.22Å; F459-F465 HydrophobicContact CD1-CB 3.64Å; F459-F465 HydrophobicContact CD2-CB 4.1Å; F459-F465 HydrophobicContact CE1-CB 3.94Å; F459-F465 HydrophobicContact CE2-CB 4.37Å; F459-F465 HydrophobicContact CG-CB 3.73Å; F459-F465 HydrophobicContact CZ-CB 4.29Å
460E89.9Confident86Confident61 Ų6130.1 Ų30.129%0.28516%0.159SC..EExtended strand (participates in β ladder)trans-86.7154.4178.1-70.6164-164.900110.5R386 D462 R463R386-E460 HydrophobicContact CG-CG 3.68Å; R386-E460 IonicContact CZ-OE1 3.87Å; R386-E460 IonicContact NE-OE1 3.21Å; R386-E460 PolarHBondContact NE-OE1 3.39Å; R386-E460 VanDerWaalsContact NE-OE1 3.13Å; R386-E460 IonicContact NH2-OE1 3.35Å; R386-E460 PolarHBondContact NH2-OE1 3.25Å; E460-D462 WeakPolarHBondContact CB-OD1 3.08Å; E460-D462 PolarHBondContact O-N 2.73Å; E460-R463 HydrophobicContact CB-CG 4.34Å; E460-R463 VanDerWaalsContact O-CG 3.28Å; E460-R463 WeakPolarHBondContact O-CG 3.44Å; E460-R463 IonicContact OE2-CZ 2.72Å; E460-R463 IonicContact OE2-NE 2.71Å; E460-R463 IonicContact OE2-NH2 3.89Å; E460-R463 PolarHBondContact OE2-NH2 3.4Å
461E85.7Confident87.2Confident112 Ų11230.6 Ų30.652%0.52316%0.159SC..THydrogen-bonded Turntrans-71.9-7.5-174.2-167.8165.4-144.600114R387R387-E461 IonicContact CZ-OE1 3.27Å; R387-E461 IonicContact NE-OE1 3.02Å; R387-E461 PolarHBondContact NE-OE1 3.42Å; R387-E461 IonicContact NH2-OE1 2.82Å; R387-E461 PolarHBondContact NH2-OE1 3.49Å
462D88.9Confident87.9Confident68 Ų6831.2 Ų31.236%0.36417%0.166SC..THydrogen-bonded Turntrans-926-178.577.9-38.9000114.7E460 R482E460-D462 WeakPolarHBondContact CB-OD1 3.08Å; E460-D462 PolarHBondContact O-N 2.73Å; D462-R482 IonicContact OD2-CZ 2.59Å; D462-R482 IonicContact OD2-NH1 2.78Å; D462-R482 PolarHBondContact OD2-NH1 2.88Å; D462-R482 IonicContact OD2-NH2 3.23Å; D462-R482 PolarHBondContact OD2-NH2 2.87Å
463R90.6Very high88Confident33 Ų3335.4 Ų35.413%0.12519%0.189CC..SBendtrans-155.2163.7-168.363.8-172.977.6-142.121.5111.5E460 E480E460-R463 HydrophobicContact CB-CG 4.34Å; E460-R463 VanDerWaalsContact O-CG 3.28Å; E460-R463 WeakPolarHBondContact O-CG 3.44Å; E460-R463 IonicContact OE2-CZ 2.72Å; E460-R463 IonicContact OE2-NE 2.71Å; E460-R463 IonicContact OE2-NH2 3.89Å; E460-R463 PolarHBondContact OE2-NH2 3.4Å; R463-E480 WeakPolarHBondContact CD-O 3.48Å; R463-E480 IonicContact CZ-OE2 3.89Å; R463-E480 VanDerWaalsContact NH1-CB 3.27Å; R463-E480 PolarHBondContact NH1-O 2.79Å; R463-E480 IonicContact NH1-OE2 3.29Å; R463-E480 PolarHBondContact NH1-OE2 3.23Å; R463-E480 IonicContact NH2-OE2 3.61Å; R463-E480 PolarHBondContact NH2-OE2 3.18Å
464C90.9Very high88.2Confident3 Ų337 Ų372%0.0220%0.198CC..  trans-76.7154.8169.8-63.70000111.6Y481 C508 H515 W516C464-Y481 PolarHBondContact N-O 2.87Å; C464-Y481 WeakPolarHBondContact O-CB 3.46Å; C464-C508 HydrophobicContact CB-CB 3.84Å; C464-C508 WeakPolarHBondContact CB-SG 3.33Å; C464-C508 PolarHBondContact N-SG 3.24Å; C464-C508 WeakPolarHBondContact SG-CA 3.46Å; C464-C508 WeakPolarHBondContact SG-CB 3.45Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 3.48Å; C464-H515 PolarHBondContact SG-N 2.83Å; C464-W516 HydrophobicContact CB-CD2 4.04Å; C464-W516 VanDerWaalsContact CB-CE2 3.46Å; C464-W516 HydrophobicContact CB-CG 4.43Å; C464-W516 HydrophobicContact CB-CH2 4.35Å; C464-W516 HydrophobicContact CB-CZ2 3.61Å
465F89.4Confident88.3Confident19 Ų1941.1 Ų41.18%0.08322%0.223CC..  trans-68.6161.1170.266.9-94.3000111.2H389 I431 F459 P467 W516H389-F465 HydrophobicContact CB-CB 4.15Å; H389-F465 HydrophobicContact CB-CD2 4.34Å; H389-F465 HydrophobicContact CB-CG 4.16Å; H389-F465 AromaticContact CD2-CE2 3.96Å; H389-F465 AromaticContact CD2-CZ 3.99Å; H389-F465 AromaticContact CE1-CD2 3.74Å; H389-F465 AromaticContact CE1-CE2 3.39Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.43Å; H389-F465 AromaticContact CE1-CZ 3.99Å; H389-F465 AromaticContact CG-CD2 3.81Å; H389-F465 AromaticContact ND1-CD2 3.64Å; H389-F465 AromaticContact ND1-CE2 3.8Å; H389-F465 AromaticContact NE2-CE2 3.53Å; H389-F465 AromaticContact NE2-CZ 3.63Å; I431-F465 HydrophobicContact CD1-CD1 4.1Å; I431-F465 HydrophobicContact CD1-CE1 3.88Å; I431-F465 HydrophobicContact CG1-CE1 4.5Å; F459-F465 HydrophobicContact CB-CB 4.22Å; F459-F465 HydrophobicContact CD1-CB 3.64Å; F459-F465 HydrophobicContact CD2-CB 4.1Å; F459-F465 HydrophobicContact CE1-CB 3.94Å; F459-F465 HydrophobicContact CE2-CB 4.37Å; F459-F465 HydrophobicContact CG-CB 3.73Å; F459-F465 HydrophobicContact CZ-CB 4.29Å; F465-P467 WeakPolarHBondContact O-CD 3.25Å; F465-W516 AromaticContact CE1-CD1 3.65Å; F465-W516 AromaticContact CE2-CD1 3.97Å; F465-W516 AromaticContact CZ-CD1 3.57Å; F465-W516 WeakPolarHBondContact O-CZ2 3.46Å; F465-W516 PolarHBondContact O-NE1 2.9Å
466A87.9Confident88.4Confident29 Ų2942.4 Ų42.424%0.2423%0.233CC..  trans-77115.6-177.300000110.9E457 Y481E457-A466 WeakPolarHBondContact OE1-CA 3.33Å; E457-A466 WeakPolarHBondContact OE1-CB 3.04Å; E457-A466 PolarHBondContact OE1-N 2.85Å; A466-Y481 HydrophobicContact CB-CD2 4.08Å; A466-Y481 HydrophobicContact CB-CE2 3.52Å
467P87.7Confident88.5Confident8 Ų846.8 Ų46.85%0.05226%0.261CS..  trans-73.1140.3-174.926.9-30.1000111F465 V474 Y481 A487 F489 I506 W516 E520F465-P467 WeakPolarHBondContact O-CD 3.25Å; P467-V474 HydrophobicContact CG-CG1 4.29Å; P467-Y481 HydrophobicContact CG-CE1 4.3Å; P467-A487 HydrophobicContact CG-CB 3.58Å; P467-F489 HydrophobicContact CB-CE1 4.14Å; P467-F489 HydrophobicContact CB-CZ 3.98Å; P467-F489 HydrophobicContact CG-CZ 4.38Å; P467-I506 HydrophobicContact CB-CD1 3.98Å; P467-I506 HydrophobicContact CG-CD1 4.42Å; P467-W516 HydrophobicContact CG-CH2 4.33Å; P467-W516 HydrophobicContact CG-CZ2 3.79Å; P467-E520 WeakPolarHBondContact CA-OE1 3.36Å; P467-E520 HydrophobicContact CB-CG 3.49Å; P467-E520 VanDerWaalsContact CB-CG 3.49Å
468F81.3Confident88.5Confident56 Ų5647.9 Ų47.925%0.24627%0.267CS..  trans-113.7142.5-171.8169.7-97.1000113.2H391 R455 A470 E520H391-F468 AromaticContact CD2-CD1 3.95Å; H391-F468 AromaticContact CE1-CD1 3.66Å; H391-F468 AromaticContact NE2-CD1 3.33Å; H391-F468 VanDerWaalsContact NE2-CD1 3.33Å; H391-F468 WeakPolarHBondContact NE2-CD1 3.28Å; H391-F468 AromaticContact NE2-CE1 3.45Å; H391-F468 WeakPolarHBondContact NE2-CE1 3.42Å; R455-F468 VanDerWaalsContact CZ-CD2 3.44Å; R455-F468 VanDerWaalsContact NH1-CG 3.33Å; R455-F468 VanDerWaalsContact NH1-CZ 3.27Å; F468-A470 HydrophobicContact CE1-CB 3.72Å; F468-A470 HydrophobicContact CZ-CB 3.93Å; F468-E520 PolarHBondContact N-OE1 2.93Å
469L83.9Confident88.4Confident10 Ų1052.2 Ų52.25%0.05229%0.294CS..  trans-132.598.5177.9-171.264.9000110.3H471 G472 V474 F489 S490 L497 P521 C523L469-H471 PolarHBondContact O-N 3.24Å; L469-G472 PolarHBondContact O-N 2.65Å; L469-V474 HydrophobicContact CB-CG2 3.7Å; L469-F489 HydrophobicContact CB-CD1 4.22Å; L469-F489 HydrophobicContact CD1-CD1 4.37Å; L469-F489 HydrophobicContact CD2-CB 4Å; L469-F489 HydrophobicContact CD2-CD1 4.03Å; L469-F489 HydrophobicContact CG-CD1 4.46Å; L469-S490 VanDerWaalsContact CD2-O 3.28Å; L469-S490 WeakPolarHBondContact CD2-O 3.04Å; L469-L497 HydrophobicContact CD1-CD2 4.41Å; L469-P521 HydrophobicContact CD1-CG 4.49Å; L469-P521 WeakPolarHBondContact CD1-O 3.43Å; L469-C523 HydrophobicContact CD1-CB 4.41Å; L469-C523 VanDerWaalsContact CD1-SG 3.56Å
470A80.4Confident88.3Confident47 Ų4755.6 Ų55.639%0.38831%0.31SS..THydrogen-bonded Turntrans-56.5135.2170.400000109.7F468 G472 C523F468-A470 HydrophobicContact CE1-CB 3.72Å; F468-A470 HydrophobicContact CZ-CB 3.93Å; A470-G472 PolarHBondContact O-N 2.78Å; A470-C523 VanDerWaalsContact O-CB 3.29Å; A470-C523 WeakPolarHBondContact O-CB 3.25Å
471H83.4Confident88.5Confident99 Ų9954.7 Ų54.746%0.45830%0.304SS..THydrogen-bonded Turntrans54.930.3-177.4-52.5-72.9000115.2L469 L492 Y495 C523L469-H471 PolarHBondContact O-N 3.24Å; H471-L492 WeakPolarHBondContact O-CB 3.29Å; H471-L492 WeakPolarHBondContact O-CG 3.46Å; H471-L492 PolarHBondContact O-N 3.02Å; H471-Y495 HydrophobicContact CB-CD1 3.56Å; H471-Y495 HydrophobicContact CB-CD2 4.16Å; H471-Y495 HydrophobicContact CB-CE1 3.49Å; H471-Y495 VanDerWaalsContact CB-CE1 3.49Å; H471-Y495 HydrophobicContact CB-CE2 4.11Å; H471-Y495 HydrophobicContact CB-CG 3.91Å; H471-Y495 AromaticContact CD2-CE1 3.58Å; H471-Y495 PolarHBondContact CE1-OH 2.78Å; H471-Y495 AromaticContact CG-CD1 3.98Å; H471-Y495 AromaticContact CG-CE1 3.36Å; H471-Y495 AromaticContact CG-CZ 3.52Å; H471-Y495 AromaticContact ND1-CE1 3.87Å; H471-Y495 AromaticContact ND1-CZ 3.53Å; H471-Y495 PolarHBondContact ND1-OH 3.3Å; H471-C523 HydrophobicContact CB-CB 4.36Å
472G85.9Confident88.8Confident15 Ų1553.6 Ų53.616%0.15530%0.296CS..EExtended strand (participates in β ladder)trans-149.5-178.1173.300000113.4L469 A470 S490L469-G472 PolarHBondContact O-N 2.65Å; A470-G472 PolarHBondContact O-N 2.78Å; G472-S490 CarbonylContact C-O 3.47Å; G472-S490 WeakPolarHBondContact CA-O 3.24Å
473N88.3Confident89.1Confident93 Ų9352.6 Ų52.650%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-120.6143174.9-57.1-48.8000109.5S490N473-S490 PolarHBondContact N-O 3.44Å; N473-S490 PolarHBondContact O-N 3.07Å; N473-S490 PolarHBondContact O-OG 2.79Å
474V90.8Very high89.2Confident42 Ų4253.4 Ų53.426%0.25531%0.311SS..EExtended strand (participates in β ladder)trans-113.1135174.9-166.10000109.4P467 L469 A487 T488 F489P467-V474 HydrophobicContact CG-CG1 4.29Å; L469-V474 HydrophobicContact CB-CG2 3.7Å; V474-A487 HydrophobicContact CG1-CB 4.13Å; V474-T488 WeakPolarHBondContact CA-O 3.12Å; V474-F489 HydrophobicContact CB-CD1 4.46Å; V474-F489 HydrophobicContact CG1-CD1 4.02Å; V474-F489 HydrophobicContact CG1-CE1 3.84Å; V474-F489 HydrophobicContact CG2-CD1 3.81Å; V474-F489 HydrophobicContact CG2-CE1 3.88Å
475T92.1Very high89.3Confident86 Ų8653.3 Ų53.353%0.52831%0.311SS..EExtended strand (participates in β ladder)trans-123.8130.7175.834.40000110.6T488T475-T488 PolarHBondContact N-O 3.33Å; T475-T488 PolarHBondContact O-N 2.69Å; T475-T488 PolarHBondContact O-OG1 3.03Å; T475-T488 PolarHBondContact OG1-OG1 2.81Å
476T92.7Very high89.6Confident45 Ų4555.5 Ų55.528%0.27632%0.323SS..EExtended strand (participates in β ladder)trans-119.1150.6-174.5178.70000112.5D478 Y481 L486T476-D478 VanDerWaalsContact C-N 3.31Å; T476-D478 VanDerWaalsContact CG2-O 3.25Å; T476-D478 WeakPolarHBondContact CG2-O 2.99Å; T476-D478 PolarHBondContact OG1-N 3.13Å; T476-D478 VanDerWaalsContact OG1-N 3.12Å; T476-D478 PolarHBondContact OG1-O 2.69Å; T476-Y481 HydrophobicContact CG2-CE1 3.75Å; T476-L486 WeakPolarHBondContact CA-O 3.38Å
477T93.9Very high89.8Confident100 Ų10054.1 Ų54.161%0.61331%0.312SS*.SBendtrans-73.5-22.1169.657.90000113.3L486T477-L486 HydrophobicContact CG2-CB 4.01Å; T477-L486 PolarHBondContact N-O 3.3Å; T477-L486 VanDerWaalsContact N-O 3.09Å; T477-L486 PolarHBondContact OG1-N 2.72Å
478D92.4Very high90Very high43 Ų4355.7 Ų55.723%0.2332%0.321CS..  trans-138.8116.9175.6177.613.7000109.7T476 E480 Y481 R482 A485T476-D478 VanDerWaalsContact C-N 3.31Å; T476-D478 VanDerWaalsContact CG2-O 3.25Å; T476-D478 WeakPolarHBondContact CG2-O 2.99Å; T476-D478 PolarHBondContact OG1-N 3.13Å; T476-D478 VanDerWaalsContact OG1-N 3.12Å; T476-D478 PolarHBondContact OG1-O 2.69Å; D478-E480 PolarHBondContact O-N 2.04Å; D478-E480 WeakPolarHBondContact OD1-CB 3.08Å; D478-E480 PolarHBondContact OD1-N 3.46Å; D478-Y481 PolarHBondContact O-N 3.35Å; D478-R482 VanDerWaalsContact OD2-CB 3.31Å; D478-R482 WeakPolarHBondContact OD2-CB 3.24Å; D478-R482 WeakPolarHBondContact OD2-CG 3.43Å; D478-R482 PolarHBondContact OD2-N 3.32Å; D478-A485 HydrophobicContact CB-CB 3.91Å
479P89.6Confident90.4Very high107 Ų10753.5 Ų53.570%0.69531%0.311SS*.THydrogen-bonded Turntrans-67.1-12.7176.930.8-37.4000113.6
480E89.3Confident90.6Very high92 Ų9255.4 Ų55.443%0.4333%0.325SS..THydrogen-bonded Turntrans-93.21.8175.1-87.3-163.7-134.500114.1R463 D478 R482R463-E480 WeakPolarHBondContact CD-O 3.48Å; R463-E480 IonicContact CZ-OE2 3.89Å; R463-E480 VanDerWaalsContact NH1-CB 3.27Å; R463-E480 PolarHBondContact NH1-O 2.79Å; R463-E480 IonicContact NH1-OE2 3.29Å; R463-E480 PolarHBondContact NH1-OE2 3.23Å; R463-E480 IonicContact NH2-OE2 3.61Å; R463-E480 PolarHBondContact NH2-OE2 3.18Å; D478-E480 PolarHBondContact O-N 2.04Å; D478-E480 WeakPolarHBondContact OD1-CB 3.08Å; D478-E480 PolarHBondContact OD1-N 3.46Å; E480-R482 VanDerWaalsContact C-N 3.26Å; E480-R482 HydrophobicContact CB-CG 4.1Å; E480-R482 PolarHBondContact O-N 2.99Å; E480-R482 IonicContact OE2-CZ 2.65Å; E480-R482 VanDerWaalsContact OE2-CZ 3.27Å; E480-R482 IonicContact OE2-NE 2.92Å; E480-R482 PolarHBondContact OE2-NE 2.94Å; E480-R482 IonicContact OE2-NH2 3.21Å; E480-R482 PolarHBondContact OE2-NH2 2.99Å
481Y92.4Very high91Very high41 Ų4154.6 Ų54.616%0.16132%0.316CS..  trans49.737.7174.1-59.8-66.3000115.2C464 A466 P467 T476 D478 A487 C508 W516C464-Y481 PolarHBondContact N-O 2.87Å; C464-Y481 WeakPolarHBondContact O-CB 3.46Å; A466-Y481 HydrophobicContact CB-CD2 4.08Å; A466-Y481 HydrophobicContact CB-CE2 3.52Å; P467-Y481 HydrophobicContact CG-CE1 4.3Å; T476-Y481 HydrophobicContact CG2-CE1 3.75Å; D478-Y481 PolarHBondContact O-N 3.35Å; Y481-A487 HydrophobicContact CE1-CB 4.44Å; Y481-C508 PolarHBondContact O-SG 2.82Å; Y481-C508 VanDerWaalsContact O-SG 3.32Å; Y481-W516 AromaticContact CD1-CH2 3.75Å; Y481-W516 HydrophobicContact CD1-CH2 3.75Å; Y481-W516 AromaticContact CD1-CZ2 3.73Å; Y481-W516 HydrophobicContact CD1-CZ2 3.73Å; Y481-W516 HydrophobicContact CE1-CH2 4.41Å; Y481-W516 HydrophobicContact CE1-CZ2 4.37Å; Y481-W516 HydrophobicContact CG-CZ2 4.2Å
482R93.8Very high91.1Very high90 Ų9053.1 Ų53.134%0.3431%0.312SS..  trans-72.6160.2-179.5-60-180163.7-70.8-7.4111.3D462 D478 E480 G484 A485D462-R482 IonicContact OD2-CZ 2.59Å; D462-R482 IonicContact OD2-NH1 2.78Å; D462-R482 PolarHBondContact OD2-NH1 2.88Å; D462-R482 IonicContact OD2-NH2 3.23Å; D462-R482 PolarHBondContact OD2-NH2 2.87Å; D478-R482 VanDerWaalsContact OD2-CB 3.31Å; D478-R482 WeakPolarHBondContact OD2-CB 3.24Å; D478-R482 WeakPolarHBondContact OD2-CG 3.43Å; D478-R482 PolarHBondContact OD2-N 3.32Å; E480-R482 VanDerWaalsContact C-N 3.26Å; E480-R482 HydrophobicContact CB-CG 4.1Å; E480-R482 PolarHBondContact O-N 2.99Å; E480-R482 IonicContact OE2-CZ 2.65Å; E480-R482 VanDerWaalsContact OE2-CZ 3.27Å; E480-R482 IonicContact OE2-NE 2.92Å; E480-R482 PolarHBondContact OE2-NE 2.94Å; E480-R482 IonicContact OE2-NH2 3.21Å; E480-R482 PolarHBondContact OE2-NH2 2.99Å; R482-G484 PolarHBondContact O-N 2.77Å; R482-A485 WeakPolarHBondContact O-CB 3.45Å; R482-A485 PolarHBondContact O-N 3.1Å
483P94.4Very high90.9Very high47 Ų4758.6 Ų58.631%0.30534%0.344SS..THydrogen-bonded Turntrans-51.3125.6175.1-29.236.2000112.6C508 P511 P514P483-C508 CarbonylContact C-O 3.46Å; P483-C508 WeakPolarHBondContact CA-O 3.41Å; P483-P511 HydrophobicContact CB-CB 4.35Å; P483-P511 HydrophobicContact CB-CG 4.22Å; P483-P514 HydrophobicContact CG-CB 4.15Å; P483-P514 HydrophobicContact CG-CG 3.95Å
484G92.3Very high90.3Very high49 Ų4955.2 Ų55.251%0.50533%0.332SS..THydrogen-bonded Turntrans95.10-168.700000115.2R482 C508R482-G484 PolarHBondContact O-N 2.77Å; G484-C508 PolarHBondContact N-O 3.07Å
485A94Very high89.9Confident2 Ų256.6 Ų56.62%0.01733%0.333CS..  trans-75132.9172.900000111.5D478 R482 E507 C508D478-A485 HydrophobicContact CB-CB 3.91Å; R482-A485 WeakPolarHBondContact O-CB 3.45Å; R482-A485 PolarHBondContact O-N 3.1Å; A485-E507 CarbonylContact O-C 3.53Å; A485-E507 WeakPolarHBondContact O-CA 3.43Å; A485-C508 HydrophobicContact CB-CB 4.34Å; A485-C508 PolarHBondContact O-N 3.19Å
486L94.1Very high89.4Confident65 Ų6554.5 Ų54.534%0.3432%0.324SS..EExtended strand (participates in β ladder)trans-106.6113.6175-174.978.1000109.8T476 T477 T488 A505 I506 E507T476-L486 WeakPolarHBondContact CA-O 3.38Å; T477-L486 HydrophobicContact CG2-CB 4.01Å; T477-L486 PolarHBondContact N-O 3.3Å; T477-L486 VanDerWaalsContact N-O 3.09Å; T477-L486 PolarHBondContact OG1-N 2.72Å; L486-T488 HydrophobicContact CD2-CG2 4.09Å; L486-T488 HydrophobicContact CG-CG2 4.22Å; L486-A505 HydrophobicContact CD1-CB 3.97Å; L486-A505 HydrophobicContact CD2-CB 4.46Å; L486-A505 HydrophobicContact CG-CB 4.18Å; L486-I506 CarbonylContact C-O 3.59Å; L486-I506 WeakPolarHBondContact CA-O 3.33Å; L486-E507 HydrophobicContact CD1-CB 4.24Å
487A93.1Very high89.1Confident0 Ų054.4 Ų54.40%032%0.322CS..EExtended strand (participates in β ladder)trans-92.3131.1171.100000109.9P467 V474 Y481 A505 I506 W516P467-A487 HydrophobicContact CG-CB 3.58Å; V474-A487 HydrophobicContact CG1-CB 4.13Å; Y481-A487 HydrophobicContact CE1-CB 4.44Å; A487-A505 CarbonylContact O-C 3.59Å; A487-A505 WeakPolarHBondContact O-CA 3.47Å; A487-A505 WeakPolarHBondContact O-CB 3.28Å; A487-I506 HydrophobicContact CB-CG1 4.14Å; A487-I506 PolarHBondContact N-O 2.8Å; A487-I506 PolarHBondContact O-N 3.19Å; A487-W516 HydrophobicContact CB-CH2 3.82Å; A487-W516 HydrophobicContact CB-CZ2 4.5Å; A487-W516 HydrophobicContact CB-CZ3 4.06Å
488T91.9Very high88.5Confident40 Ų4053.9 Ų53.925%0.24531%0.313CS..EExtended strand (participates in β ladder)trans-120.9136.9-173.4580000110.4V474 T475 L486 A505V474-T488 WeakPolarHBondContact CA-O 3.12Å; T475-T488 PolarHBondContact N-O 3.33Å; T475-T488 PolarHBondContact O-N 2.69Å; T475-T488 PolarHBondContact O-OG1 3.03Å; T475-T488 PolarHBondContact OG1-OG1 2.81Å; L486-T488 HydrophobicContact CD2-CG2 4.09Å; L486-T488 HydrophobicContact CG-CG2 4.22Å; T488-A505 HydrophobicContact CG2-CB 3.7Å
489F90.2Very high87.7Confident10 Ų1056.4 Ų56.44%0.04433%0.331CS..EExtended strand (participates in β ladder)trans-109.8142.6-168.6-61.3-74.8000113P467 L469 V474 L497 N504 I506 E520 P521P467-F489 HydrophobicContact CB-CE1 4.14Å; P467-F489 HydrophobicContact CB-CZ 3.98Å; P467-F489 HydrophobicContact CG-CZ 4.38Å; L469-F489 HydrophobicContact CB-CD1 4.22Å; L469-F489 HydrophobicContact CD1-CD1 4.37Å; L469-F489 HydrophobicContact CD2-CB 4Å; L469-F489 HydrophobicContact CD2-CD1 4.03Å; L469-F489 HydrophobicContact CG-CD1 4.46Å; V474-F489 HydrophobicContact CB-CD1 4.46Å; V474-F489 HydrophobicContact CG1-CD1 4.02Å; V474-F489 HydrophobicContact CG1-CE1 3.84Å; V474-F489 HydrophobicContact CG2-CD1 3.81Å; V474-F489 HydrophobicContact CG2-CE1 3.88Å; F489-L497 HydrophobicContact CB-CD2 4.26Å; F489-N504 PolarHBondContact N-O 3.21Å; F489-I506 HydrophobicContact CE2-CB 4.36Å; F489-I506 HydrophobicContact CE2-CD1 3.94Å; F489-I506 HydrophobicContact CE2-CG1 3.69Å; F489-I506 HydrophobicContact CE2-CG2 4.08Å; F489-I506 HydrophobicContact CZ-CD1 3.64Å; F489-I506 HydrophobicContact CZ-CG1 3.81Å; F489-E520 HydrophobicContact CE1-CB 4.11Å; F489-E520 HydrophobicContact CE1-CG 3.94Å; F489-E520 HydrophobicContact CZ-CB 4.04Å; F489-E520 HydrophobicContact CZ-CG 3.75Å; F489-P521 HydrophobicContact CB-CG 3.83Å; F489-P521 HydrophobicContact CD1-CG 4.38Å; F489-P521 HydrophobicContact CD2-CG 3.78Å; F489-P521 HydrophobicContact CE2-CG 4.45Å; F489-P521 HydrophobicContact CG-CG 3.74Å
490S88.4Confident86.5Confident50 Ų5057.1 Ų57.135%0.3534%0.336SS..EExtended strand (participates in β ladder)trans-148.9131.5176.860.40000111.4L469 G472 N473L469-S490 VanDerWaalsContact CD2-O 3.28Å; L469-S490 WeakPolarHBondContact CD2-O 3.04Å; G472-S490 CarbonylContact C-O 3.47Å; G472-S490 WeakPolarHBondContact CA-O 3.24Å; N473-S490 PolarHBondContact N-O 3.44Å; N473-S490 PolarHBondContact O-N 3.07Å; N473-S490 PolarHBondContact O-OG 2.79Å
491C87.6Confident85.3Confident30 Ų3054.6 Ų54.620%0.20334%0.335CS..EExtended strand (participates in β ladder)trans-83154.5177.9-610000112.8Y495 L497 C523C491-Y495 WeakPolarHBondContact CB-O 3.34Å; C491-L497 WeakPolarHBondContact SG-CD2 3.32Å; C491-L497 PolarHBondContact SG-N 3.08Å; C491-L497 VanDerWaalsContact SG-N 3.41Å; C491-C523 WeakPolarHBondContact CA-SG 3.21Å; C491-C523 HydrophobicContact CB-CB 3.91Å; C491-C523 WeakPolarHBondContact CB-SG 3.43Å; C491-C523 VanDerWaalsContact SG-CA 3.56Å; C491-C523 WeakPolarHBondContact SG-CB 3.18Å; C491-C523 CovalentContact SG-SG 2.03Å; C491-C523 PolarHBondContact SG-SG 2.59Å
492L86.6Confident84.1Confident69 Ų6958.3 Ų58.336%0.36136%0.364SS..PPolyproline II helixtrans-66.9154.9169.3-66.3175.8000111H471 G494 Y495H471-L492 WeakPolarHBondContact O-CB 3.29Å; H471-L492 WeakPolarHBondContact O-CG 3.46Å; H471-L492 PolarHBondContact O-N 3.02Å; L492-G494 PolarHBondContact O-N 2.88Å; L492-Y495 HydrophobicContact CB-CD2 4.42Å; L492-Y495 WeakPolarHBondContact O-CB 3.47Å; L492-Y495 PolarHBondContact O-N 2.73Å
493P81.3Confident82.7Confident129 Ų12957.3 Ų57.384%0.83837%0.369SS*.THydrogen-bonded Turntrans-53.2130175.6-26.335.2000112
494G75.7Confident82.1Confident23 Ų2359 Ų5924%0.23738%0.376CS..THydrogen-bonded Turntrans94.7-6.1-173.300000114.7L492 M526L492-G494 PolarHBondContact O-N 2.88Å; G494-M526 WeakPolarHBondContact O-CB 3.04Å; G494-M526 PolarHBondContact O-N 2.04Å
495Y81.9Confident82Confident70 Ų7057.7 Ų57.728%0.27536%0.36SS..EExtended strand (participates in β ladder)trans-119.7156.3175.2-65.3-105.9000111.4H471 C491 L492 K524 V525H471-Y495 HydrophobicContact CB-CD1 3.56Å; H471-Y495 HydrophobicContact CB-CD2 4.16Å; H471-Y495 HydrophobicContact CB-CE1 3.49Å; H471-Y495 VanDerWaalsContact CB-CE1 3.49Å; H471-Y495 HydrophobicContact CB-CE2 4.11Å; H471-Y495 HydrophobicContact CB-CG 3.91Å; H471-Y495 AromaticContact CD2-CE1 3.58Å; H471-Y495 PolarHBondContact CE1-OH 2.78Å; H471-Y495 AromaticContact CG-CD1 3.98Å; H471-Y495 AromaticContact CG-CE1 3.36Å; H471-Y495 AromaticContact CG-CZ 3.52Å; H471-Y495 AromaticContact ND1-CE1 3.87Å; H471-Y495 AromaticContact ND1-CZ 3.53Å; H471-Y495 PolarHBondContact ND1-OH 3.3Å; C491-Y495 WeakPolarHBondContact CB-O 3.34Å; L492-Y495 HydrophobicContact CB-CD2 4.42Å; L492-Y495 WeakPolarHBondContact O-CB 3.47Å; L492-Y495 PolarHBondContact O-N 2.73Å; Y495-K524 CarbonylContact C-O 3.52Å; Y495-K524 VanDerWaalsContact CA-O 3.24Å; Y495-K524 WeakPolarHBondContact CA-O 3.47Å; Y495-V525 HydrophobicContact CD1-CB 4.09Å; Y495-V525 HydrophobicContact CE1-CB 3.87Å
496A82.3Confident81.8Confident42 Ų4257.7 Ų57.735%0.34736%0.36SS..EExtended strand (participates in β ladder)trans-136.7151.4177.700000111.5C523 K524 M526A496-C523 WeakPolarHBondContact O-CA 3.45Å; A496-K524 PolarHBondContact N-O 2.83Å; A496-K524 PolarHBondContact O-N 2.86Å; A496-M526 HydrophobicContact CB-CG 3.74Å; A496-M526 HydrophobicContact CB-SD 4Å
497L84.9Confident81.8Confident44 Ų4458.6 Ų58.623%0.2336%0.362CS..EExtended strand (participates in β ladder)trans-71131.3178.3-64.8170.3000110.7L469 F489 C491 P499 N504 P521 A522L469-L497 HydrophobicContact CD1-CD2 4.41Å; F489-L497 HydrophobicContact CB-CD2 4.26Å; C491-L497 WeakPolarHBondContact SG-CD2 3.32Å; C491-L497 PolarHBondContact SG-N 3.08Å; C491-L497 VanDerWaalsContact SG-N 3.41Å; L497-P499 CarbonylContact O-C 3.44Å; L497-N504 HydrophobicContact CD1-CB 4.19Å; L497-P521 HydrophobicContact CD2-CB 4.02Å; L497-P521 HydrophobicContact CD2-CG 3.68Å; L497-A522 CarbonylContact C-O 3.43Å; L497-A522 WeakPolarHBondContact CA-O 3.47Å
498E81.7Confident81.8Confident88 Ų8858.6 Ų58.641%0.41136%0.362SS..EExtended strand (participates in β ladder)trans-119.8125.3169.7-165.2171.4-116.300108.1A522 K524E498-A522 PolarHBondContact N-O 2.65Å; E498-A522 PolarHBondContact O-N 3.36Å; E498-K524 VanDerWaalsContact CD-CD 3.49Å; E498-K524 WeakPolarHBondContact OE1-CD 3.31Å; E498-K524 IonicContact OE1-NZ 3.74Å; E498-K524 PolarHBondContact OE1-NZ 3.27Å; E498-K524 WeakPolarHBondContact OE2-CD 3.07Å; E498-K524 WeakPolarHBondContact OE2-CE 3.41Å; E498-K524 IonicContact OE2-NZ 2.75Å; E498-K524 PolarHBondContact OE2-NZ 3.17Å
499P75.3Confident81.8Confident96 Ų9658.6 Ų58.662%0.62336%0.362SS*.SBendcis-69.5148.4-0.530.6-36000113.5L497 G501L497-P499 CarbonylContact O-C 3.44Å; P499-G501 PolarHBondContact O-N 3Å
500P65.8Low81.8Confident122 Ų12261.4 Ų61.479%0.79238%0.377SS*.SBendtrans-78.881.4-178.231.9-35.9000112.1
501G63.1Low81.8Confident40 Ų4064.4 Ų64.441%0.41240%0.396SS..SBendtrans-178.3-180175.300000113.2P499P499-G501 PolarHBondContact O-N 3Å
502P67.3Low81.8Confident119 Ų11969.1 Ų69.177%0.77342%0.424SS*.SBendtrans-71.2149.7162.631.8-33.3000110.4
503P65.5Low81.8Confident68 Ų6872.2 Ų72.244%0.44244%0.436SS..  cis-76.61234.128.3-32.2000113.6A505 D518P503-A505 WeakPolarHBondContact CB-O 3.48Å; P503-A505 PolarHBondContact O-N 2.92Å; P503-D518 WeakPolarHBondContact CG-OD2 3.01Å
504N81.6Confident82.2Confident84 Ų8467.3 Ų67.345%0.44941%0.405SS..SBendtrans-89.217.2163.770.1-60.6000111.3F489 L497F489-N504 PolarHBondContact N-O 3.21Å; L497-N504 HydrophobicContact CD1-CB 4.19Å
505A89.1Confident82.8Confident21 Ų2170.7 Ų70.717%0.17441%0.414CS..EExtended strand (participates in β ladder)trans-160.3136.4-175.500000111.1L486 A487 T488 P503L486-A505 HydrophobicContact CD1-CB 3.97Å; L486-A505 HydrophobicContact CD2-CB 4.46Å; L486-A505 HydrophobicContact CG-CB 4.18Å; A487-A505 CarbonylContact O-C 3.59Å; A487-A505 WeakPolarHBondContact O-CA 3.47Å; A487-A505 WeakPolarHBondContact O-CB 3.28Å; T488-A505 HydrophobicContact CG2-CB 3.7Å; P503-A505 WeakPolarHBondContact CB-O 3.48Å; P503-A505 PolarHBondContact O-N 2.92Å
506I91.2Very high83.2Confident1 Ų168 Ų681%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-114.5150178.460.5-178.6000110.8P467 L486 A487 F489 W516 N517 D518 T519 E520P467-I506 HydrophobicContact CB-CD1 3.98Å; P467-I506 HydrophobicContact CG-CD1 4.42Å; L486-I506 CarbonylContact C-O 3.59Å; L486-I506 WeakPolarHBondContact CA-O 3.33Å; A487-I506 HydrophobicContact CB-CG1 4.14Å; A487-I506 PolarHBondContact N-O 2.8Å; A487-I506 PolarHBondContact O-N 3.19Å; F489-I506 HydrophobicContact CE2-CB 4.36Å; F489-I506 HydrophobicContact CE2-CD1 3.94Å; F489-I506 HydrophobicContact CE2-CG1 3.69Å; F489-I506 HydrophobicContact CE2-CG2 4.08Å; F489-I506 HydrophobicContact CZ-CD1 3.64Å; F489-I506 HydrophobicContact CZ-CG1 3.81Å; I506-W516 HydrophobicContact CB-CE3 4.01Å; I506-W516 HydrophobicContact CD1-CB 4.02Å; I506-W516 HydrophobicContact CD1-CD2 3.61Å; I506-W516 HydrophobicContact CD1-CE3 3.74Å; I506-W516 HydrophobicContact CD1-CG 3.72Å; I506-W516 HydrophobicContact CD1-CZ3 4.45Å; I506-W516 HydrophobicContact CG1-CD2 3.92Å; I506-W516 HydrophobicContact CG1-CE3 3.47Å; I506-W516 VanDerWaalsContact CG1-CE3 3.47Å; I506-W516 HydrophobicContact CG1-CG 4.44Å; I506-W516 HydrophobicContact CG1-CZ3 3.89Å; I506-W516 WeakPolarHBondContact O-CZ3 3.41Å; I506-N517 WeakPolarHBondContact CA-OD1 3.33Å; I506-D518 HydrophobicContact CG2-CB 3.92Å; I506-T519 WeakPolarHBondContact CG2-O 3.35Å; I506-E520 HydrophobicContact CD1-CG 4.21Å
507E92.4Very high83.6Confident84 Ų8469.9 Ų69.939%0.39341%0.408SS..EExtended strand (participates in β ladder)trans-114134.4-178.2-169.1-179.5172.700110.2A485 L486 V509 N517A485-E507 CarbonylContact O-C 3.53Å; A485-E507 WeakPolarHBondContact O-CA 3.43Å; L486-E507 HydrophobicContact CD1-CB 4.24Å; E507-V509 HydrophobicContact CB-CG1 4.31Å; E507-V509 HydrophobicContact CG-CG1 4.22Å; E507-V509 PolarHBondContact O-N 3.3Å; E507-N517 PolarHBondContact N-OD1 3.4Å; E507-N517 PolarHBondContact O-N 2.9Å; E507-N517 PolarHBondContact O-OD1 3.45Å
508C94.2Very high83.7Confident0 Ų070.6 Ų70.60%041%0.412CS..EExtended strand (participates in β ladder)trans-76.5108.4173.4-176.60000108C464 Y481 P483 G484 A485 W516C464-C508 HydrophobicContact CB-CB 3.84Å; C464-C508 WeakPolarHBondContact CB-SG 3.33Å; C464-C508 PolarHBondContact N-SG 3.24Å; C464-C508 WeakPolarHBondContact SG-CA 3.46Å; C464-C508 WeakPolarHBondContact SG-CB 3.45Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 3.48Å; Y481-C508 PolarHBondContact O-SG 2.82Å; Y481-C508 VanDerWaalsContact O-SG 3.32Å; P483-C508 CarbonylContact C-O 3.46Å; P483-C508 WeakPolarHBondContact CA-O 3.41Å; G484-C508 PolarHBondContact N-O 3.07Å; A485-C508 HydrophobicContact CB-CB 4.34Å; A485-C508 PolarHBondContact O-N 3.19Å; C508-W516 HydrophobicContact CB-CE3 4.06Å; C508-W516 HydrophobicContact CB-CH2 3.97Å; C508-W516 HydrophobicContact CB-CZ3 3.73Å; C508-W516 VanDerWaalsContact N-CE3 3.34Å
509V92.6Very high83.7Confident41 Ų4168.2 Ų68.225%0.24840%0.404CS..EExtended strand (participates in β ladder)trans-109.6168.3-174.2-66.50000111.8E507 P514 H515 N517E507-V509 HydrophobicContact CB-CG1 4.31Å; E507-V509 HydrophobicContact CG-CG1 4.22Å; E507-V509 PolarHBondContact O-N 3.3Å; V509-P514 WeakPolarHBondContact O-CA 3.36Å; V509-H515 VanDerWaalsContact CG2-O 3.29Å; V509-H515 WeakPolarHBondContact CG2-O 3.44Å; V509-H515 PolarHBondContact N-O 2.89Å; V509-H515 PolarHBondContact O-N 3.5Å; V509-H515 VanDerWaalsContact O-N 3.07Å; V509-N517 HydrophobicContact CG1-CB 3.92Å; V509-N517 HydrophobicContact CG2-CB 3.82Å
510D89.8Confident84.1Confident68 Ų6865 Ų6536%0.36438%0.38SS..  trans60.9102.9-176-156.7-58.5000115.3T512 E513 P514D510-T512 PolarHBondContact O-N 2.89Å; D510-T512 VanDerWaalsContact O-N 3.11Å; D510-T512 VanDerWaalsContact OD1-CA 3.32Å; D510-T512 WeakPolarHBondContact OD1-CA 3.35Å; D510-T512 WeakPolarHBondContact OD1-CB 3.42Å; D510-T512 PolarHBondContact OD1-N 3.37Å; D510-T512 PolarHBondContact OD1-OG1 3.02Å; D510-E513 CarbonylContact O-C 3.55Å; D510-E513 PolarHBondContact OD1-N 2.85Å; D510-P514 VanDerWaalsContact O-CA 3.32Å; D510-P514 WeakPolarHBondContact O-CA 3.5Å
511P88.8Confident85Confident114 Ų11459.9 Ų59.974%0.7435%0.347SS*.SBendtrans-69.81.6176-20.734.1000116.1P483P483-P511 HydrophobicContact CB-CB 4.35Å; P483-P511 HydrophobicContact CB-CG 4.22Å
512T87.4Confident86Confident129 Ų12960.7 Ų60.779%0.79135%0.349SS*.SBendtrans-115.5-27.5179.755.80000113.9D510D510-T512 PolarHBondContact O-N 2.89Å; D510-T512 VanDerWaalsContact O-N 3.11Å; D510-T512 VanDerWaalsContact OD1-CA 3.32Å; D510-T512 WeakPolarHBondContact OD1-CA 3.35Å; D510-T512 WeakPolarHBondContact OD1-CB 3.42Å; D510-T512 PolarHBondContact OD1-N 3.37Å; D510-T512 PolarHBondContact OD1-OG1 3.02Å
513E86.5Confident86.9Confident133 Ų13355.8 Ų55.862%0.62132%0.318SS*.SBendtrans-138.480.8167.3-173.8162.3-149.300109.6D510 H515D510-E513 CarbonylContact O-C 3.55Å; D510-E513 PolarHBondContact OD1-N 2.85Å; E513-H515 PolarHBondContact O-N 3.34Å; E513-H515 PolarHBondContact O-ND1 2.83Å
514P89.9Confident87.7Confident27 Ų2757.8 Ų57.818%0.17532%0.32CS..  trans-59.9119.8-169.8-2837.6000113.9P483 V509 D510P483-P514 HydrophobicContact CG-CB 4.15Å; P483-P514 HydrophobicContact CG-CG 3.95Å; V509-P514 WeakPolarHBondContact O-CA 3.36Å; D510-P514 VanDerWaalsContact O-CA 3.32Å; D510-P514 WeakPolarHBondContact O-CA 3.5Å
515H88.4Confident87.8Confident94 Ų9456.8 Ų56.844%0.43532%0.316SS..EExtended strand (participates in β ladder)trans-145.5156.2179.262.1-82.7000112.5C464 V509 E513C464-H515 PolarHBondContact SG-N 2.83Å; V509-H515 VanDerWaalsContact CG2-O 3.29Å; V509-H515 WeakPolarHBondContact CG2-O 3.44Å; V509-H515 PolarHBondContact N-O 2.89Å; V509-H515 PolarHBondContact O-N 3.5Å; V509-H515 VanDerWaalsContact O-N 3.07Å; E513-H515 PolarHBondContact O-N 3.34Å; E513-H515 PolarHBondContact O-ND1 2.83Å
516W90.1Very high87.6Confident13 Ų1357.7 Ų57.75%0.04932%0.317CS..EExtended strand (participates in β ladder)trans-72.5133.2173.3-68.7117.3000111.1C464 F465 P467 Y481 A487 I506 C508 D518C464-W516 HydrophobicContact CB-CD2 4.04Å; C464-W516 VanDerWaalsContact CB-CE2 3.46Å; C464-W516 HydrophobicContact CB-CG 4.43Å; C464-W516 HydrophobicContact CB-CH2 4.35Å; C464-W516 HydrophobicContact CB-CZ2 3.61Å; F465-W516 AromaticContact CE1-CD1 3.65Å; F465-W516 AromaticContact CE2-CD1 3.97Å; F465-W516 AromaticContact CZ-CD1 3.57Å; F465-W516 WeakPolarHBondContact O-CZ2 3.46Å; F465-W516 PolarHBondContact O-NE1 2.9Å; P467-W516 HydrophobicContact CG-CH2 4.33Å; P467-W516 HydrophobicContact CG-CZ2 3.79Å; Y481-W516 AromaticContact CD1-CH2 3.75Å; Y481-W516 HydrophobicContact CD1-CH2 3.75Å; Y481-W516 AromaticContact CD1-CZ2 3.73Å; Y481-W516 HydrophobicContact CD1-CZ2 3.73Å; Y481-W516 HydrophobicContact CE1-CH2 4.41Å; Y481-W516 HydrophobicContact CE1-CZ2 4.37Å; Y481-W516 HydrophobicContact CG-CZ2 4.2Å; A487-W516 HydrophobicContact CB-CH2 3.82Å; A487-W516 HydrophobicContact CB-CZ2 4.5Å; A487-W516 HydrophobicContact CB-CZ3 4.06Å; I506-W516 HydrophobicContact CB-CE3 4.01Å; I506-W516 HydrophobicContact CD1-CB 4.02Å; I506-W516 HydrophobicContact CD1-CD2 3.61Å; I506-W516 HydrophobicContact CD1-CE3 3.74Å; I506-W516 HydrophobicContact CD1-CG 3.72Å; I506-W516 HydrophobicContact CD1-CZ3 4.45Å; I506-W516 HydrophobicContact CG1-CD2 3.92Å; I506-W516 HydrophobicContact CG1-CE3 3.47Å; I506-W516 VanDerWaalsContact CG1-CE3 3.47Å; I506-W516 HydrophobicContact CG1-CG 4.44Å; I506-W516 HydrophobicContact CG1-CZ3 3.89Å; I506-W516 WeakPolarHBondContact O-CZ3 3.41Å; C508-W516 HydrophobicContact CB-CE3 4.06Å; C508-W516 HydrophobicContact CB-CH2 3.97Å; C508-W516 HydrophobicContact CB-CZ3 3.73Å; C508-W516 VanDerWaalsContact N-CE3 3.34Å; W516-D518 VanDerWaalsContact C-N 3.27Å; W516-D518 PolarHBondContact O-N 3Å
517N90.9Very high87.4Confident82 Ų8260.6 Ų60.644%0.43934%0.336SS..SBendtrans-68.2-22.7-178.667-12.2000114.4I506 E507 V509I506-N517 WeakPolarHBondContact CA-OD1 3.33Å; E507-N517 PolarHBondContact N-OD1 3.4Å; E507-N517 PolarHBondContact O-N 2.9Å; E507-N517 PolarHBondContact O-OD1 3.45Å; V509-N517 HydrophobicContact CG1-CB 3.92Å; V509-N517 HydrophobicContact CG2-CB 3.82Å
518D86.8Confident87.2Confident59 Ų5956.8 Ų56.832%0.31632%0.318SS..SBendtrans-149.5-178.8176.9-149.7-11.5000110.7R428 P503 I506 W516R428-D518 IonicContact NH2-OD1 3.96Å; P503-D518 WeakPolarHBondContact CG-OD2 3.01Å; I506-D518 HydrophobicContact CG2-CB 3.92Å; W516-D518 VanDerWaalsContact C-N 3.27Å; W516-D518 PolarHBondContact O-N 3Å
519T81Confident86.8Confident38 Ų3860.8 Ų60.823%0.23335%0.351CS..PPolyproline II helixtrans-79.1153.6179.853.60000114.6R428 I506R428-T519 HydrophobicContact CG-CG2 3.76Å; R428-T519 VanDerWaalsContact CZ-CG2 3.4Å; R428-T519 VanDerWaalsContact NE-CG2 3.29Å; R428-T519 VanDerWaalsContact NH2-CG2 3.31Å; I506-T519 WeakPolarHBondContact CG2-O 3.35Å
520E83.6Confident86.7Confident28 Ų2863 Ų6313%0.13136%0.362CS..PPolyproline II helixtrans-59.9130.7153.4-54.7100.3127.200111P467 F468 F489 I506P467-E520 WeakPolarHBondContact CA-OE1 3.36Å; P467-E520 HydrophobicContact CB-CG 3.49Å; P467-E520 VanDerWaalsContact CB-CG 3.49Å; F468-E520 PolarHBondContact N-OE1 2.93Å; F489-E520 HydrophobicContact CE1-CB 4.11Å; F489-E520 HydrophobicContact CE1-CG 3.94Å; F489-E520 HydrophobicContact CZ-CB 4.04Å; F489-E520 HydrophobicContact CZ-CG 3.75Å; I506-E520 HydrophobicContact CD1-CG 4.21Å
521P85.8Confident86.7Confident15 Ų1560.6 Ų60.610%0.09735%0.35CS..PPolyproline II helixtrans-74.5158.3173.831.5-35.9000111.6L469 F489 L497L469-P521 HydrophobicContact CD1-CG 4.49Å; L469-P521 WeakPolarHBondContact CD1-O 3.43Å; F489-P521 HydrophobicContact CB-CG 3.83Å; F489-P521 HydrophobicContact CD1-CG 4.38Å; F489-P521 HydrophobicContact CD2-CG 3.78Å; F489-P521 HydrophobicContact CE2-CG 4.45Å; F489-P521 HydrophobicContact CG-CG 3.74Å; L497-P521 HydrophobicContact CD2-CB 4.02Å; L497-P521 HydrophobicContact CD2-CG 3.68Å
522A84.1Confident86.7Confident56 Ų5656.3 Ų56.346%0.46333%0.326SS..EExtended strand (participates in β ladder)trans-90.6136.7175.200000111.6L497 E498L497-A522 CarbonylContact C-O 3.43Å; L497-A522 WeakPolarHBondContact CA-O 3.47Å; E498-A522 PolarHBondContact N-O 2.65Å; E498-A522 PolarHBondContact O-N 3.36Å
523C85.4Confident86.8Confident16 Ų1657.1 Ų57.111%0.10832%0.321CS..EExtended strand (participates in β ladder)trans-91.7108.1166.9-74.10000110.8L469 A470 H471 C491 A496L469-C523 HydrophobicContact CD1-CB 4.41Å; L469-C523 VanDerWaalsContact CD1-SG 3.56Å; A470-C523 VanDerWaalsContact O-CB 3.29Å; A470-C523 WeakPolarHBondContact O-CB 3.25Å; H471-C523 HydrophobicContact CB-CB 4.36Å; C491-C523 WeakPolarHBondContact CA-SG 3.21Å; C491-C523 HydrophobicContact CB-CB 3.91Å; C491-C523 WeakPolarHBondContact CB-SG 3.43Å; C491-C523 VanDerWaalsContact SG-CA 3.56Å; C491-C523 WeakPolarHBondContact SG-CB 3.18Å; C491-C523 CovalentContact SG-SG 2.03Å; C491-C523 PolarHBondContact SG-SG 2.59Å; A496-C523 WeakPolarHBondContact O-CA 3.45Å
524K82.7Confident87Confident110 Ų11051.7 Ų51.748%0.47830%0.296SS..EExtended strand (participates in β ladder)trans-98.2139.9-179.1-164.8159.7-179.5175.10110.8Y495 A496 E498 M526Y495-K524 CarbonylContact C-O 3.52Å; Y495-K524 VanDerWaalsContact CA-O 3.24Å; Y495-K524 WeakPolarHBondContact CA-O 3.47Å; A496-K524 PolarHBondContact N-O 2.83Å; A496-K524 PolarHBondContact O-N 2.86Å; E498-K524 VanDerWaalsContact CD-CD 3.49Å; E498-K524 WeakPolarHBondContact OE1-CD 3.31Å; E498-K524 IonicContact OE1-NZ 3.74Å; E498-K524 PolarHBondContact OE1-NZ 3.27Å; E498-K524 WeakPolarHBondContact OE2-CD 3.07Å; E498-K524 WeakPolarHBondContact OE2-CE 3.41Å; E498-K524 IonicContact OE2-NZ 2.75Å; E498-K524 PolarHBondContact OE2-NZ 3.17Å; K524-M526 PolarHBondContact O-N 2.83Å
525V83.1Confident87.1Confident63 Ų6354.2 Ų54.238%0.38232%0.319SS..EExtended strand (participates in β ladder)trans-62.7130.5177.259.30000110.1Y495 T527 P547Y495-V525 HydrophobicContact CD1-CB 4.09Å; Y495-V525 HydrophobicContact CE1-CB 3.87Å; V525-T527 HydrophobicContact CG1-CG2 4.14Å; V525-T527 PolarHBondContact O-N 3.36Å; V525-P547 HydrophobicContact CG2-CB 3.88Å
526M84.2Confident87.2Confident40 Ų4053 Ų5320%0.19732%0.316CS..PPolyproline II helixtrans-77.2116.1177.4-68.6-166.3-78.300109.8G494 A496 K524 V548 P578G494-M526 WeakPolarHBondContact O-CB 3.04Å; G494-M526 PolarHBondContact O-N 2.04Å; A496-M526 HydrophobicContact CB-CG 3.74Å; A496-M526 HydrophobicContact CB-SD 4Å; K524-M526 PolarHBondContact O-N 2.83Å; M526-V548 HydrophobicContact CB-CG2 4.18Å; M526-V548 PolarHBondContact O-N 3.49Å; M526-P578 HydrophobicContact CB-CG 3.67Å
527T87Confident87.2Confident63 Ų6353.3 Ų53.339%0.38732%0.323SS..BIsolated β-bridgetrans-116.9153.1-177.956.30000112.5V525 G545 F546 P578V525-T527 HydrophobicContact CG1-CG2 4.14Å; V525-T527 PolarHBondContact O-N 3.36Å; T527-G545 VanDerWaalsContact CB-O 3.24Å; T527-G545 WeakPolarHBondContact CB-O 3.41Å; T527-G545 WeakPolarHBondContact CG2-O 3.01Å; T527-F546 CarbonylContact C-O 3.59Å; T527-F546 WeakPolarHBondContact CA-O 3.39Å; T527-P578 WeakPolarHBondContact O-CG 3.42Å
528C88.1Confident87.2Confident3 Ų353.3 Ų53.32%0.0232%0.32CS..PPolyproline II helixtrans-82.8143164.6-74.60000110.2F546 C570 K579 W580C528-F546 HydrophobicContact CB-CB 4.38Å; C528-F546 PolarHBondContact N-O 2.63Å; C528-C570 HydrophobicContact CB-CB 3.89Å; C528-C570 WeakPolarHBondContact CB-SG 3.32Å; C528-C570 WeakPolarHBondContact SG-CA 3.31Å; C528-C570 WeakPolarHBondContact SG-CB 3.44Å; C528-C570 CovalentContact SG-SG 2.03Å; C528-C570 PolarHBondContact SG-SG 3.24Å; C528-K579 PolarHBondContact SG-N 2.68Å; C528-K579 VanDerWaalsContact SG-N 3.42Å; C528-W580 HydrophobicContact CB-CD2 4.18Å; C528-W580 HydrophobicContact CB-CH2 4.32Å; C528-W580 HydrophobicContact CB-CZ2 3.58Å
529A87.6Confident87.5Confident85 Ų8554 Ų5470%0.70232%0.319SS*.PPolyproline II helixtrans-60.3146.3170.100000111.3P531 W580A529-P531 WeakPolarHBondContact O-CD 3.43Å; A529-W580 PolarHBondContact O-NE1 2.87Å
530D90.4Very high88Confident87 Ų8755 Ų5547%0.46533%0.325SS..PPolyproline II helixtrans-54.5120.1-179.3-173.5-9.8000110.8G532 R539 F546D530-G532 PolarHBondContact O-N 3.25Å; D530-G532 PolarHBondContact OD1-N 3.24Å; D530-R539 VanDerWaalsContact CG-NH1 3.34Å; D530-R539 IonicContact OD1-CZ 3.94Å; D530-R539 IonicContact OD1-NH1 2.9Å; D530-R539 PolarHBondContact OD1-NH1 3.05Å; D530-R539 IonicContact OD2-CZ 2.68Å; D530-R539 IonicContact OD2-NH1 3.43Å; D530-R539 PolarHBondContact OD2-NH1 2.89Å; D530-R539 IonicContact OD2-NH2 3.69Å; D530-F546 HydrophobicContact CB-CD2 4.38Å; D530-F546 HydrophobicContact CB-CE2 3.67Å; D530-F546 HydrophobicContact CB-CZ 4.38Å
531P88.4Confident88.3Confident18 Ų1856.1 Ų56.112%0.11734%0.339CS..  trans-72.2-8.6177.530.4-34.5000113.3A529 V552 Y554 L568 W580 V584A529-P531 WeakPolarHBondContact O-CD 3.43Å; P531-V552 HydrophobicContact CG-CB 4.38Å; P531-V552 HydrophobicContact CG-CG1 4.29Å; P531-V552 HydrophobicContact CG-CG2 4.13Å; P531-Y554 WeakPolarHBondContact CB-OH 3.47Å; P531-Y554 WeakPolarHBondContact CG-OH 3.07Å; P531-L568 HydrophobicContact CB-CD1 4.11Å; P531-W580 HydrophobicContact CG-CD2 4.47Å; P531-W580 HydrophobicContact CG-CZ2 3.88Å; P531-V584 HydrophobicContact CB-CG2 4.18Å; P531-V584 WeakPolarHBondContact O-CG2 3.46Å
532G89.4Confident88.4Confident23 Ų2357.7 Ų57.724%0.23735%0.35CS..  trans76.9-170175.100000114.6D530 R539 Y554D530-G532 PolarHBondContact O-N 3.25Å; D530-G532 PolarHBondContact OD1-N 3.24Å; G532-R539 WeakPolarHBondContact O-CD 3.41Å; G532-Y554 PolarHBondContact O-OH 2.86Å
533E89.4Confident88.4Confident146 Ų14658.8 Ų58.868%0.68235%0.348SS*.  trans-108.4157.2-176.2-71.6-179.9-168.700112.3R539E533-R539 HydrophobicContact CG-CG 4.05Å; E533-R539 IonicContact OE1-CZ 2.78Å; E533-R539 VanDerWaalsContact OE1-CZ 3.29Å; E533-R539 IonicContact OE1-NE 2.65Å; E533-R539 PolarHBondContact OE1-NE 3.44Å; E533-R539 IonicContact OE1-NH2 3.03Å; E533-R539 PolarHBondContact OE1-NH2 2.79Å
534I91.7Very high88Confident19 Ų1962.8 Ų62.810%0.09738%0.382CS..  trans-114.7136.8-177.365.6175.3000110.9G537 Y554 V584 P585 C587I534-G537 PolarHBondContact O-N 3.07Å; I534-Y554 HydrophobicContact CB-CD1 4.48Å; I534-Y554 HydrophobicContact CD1-CD1 3.63Å; I534-Y554 HydrophobicContact CD1-CG 4.08Å; I534-Y554 HydrophobicContact CG1-CD1 3.84Å; I534-Y554 HydrophobicContact CG1-CE1 4.39Å; I534-Y554 HydrophobicContact CG2-CD1 3.86Å; I534-Y554 HydrophobicContact CG2-CE1 3.77Å; I534-V584 HydrophobicContact CG2-CG1 3.48Å; I534-V584 VanDerWaalsContact CG2-CG1 3.48Å; I534-P585 HydrophobicContact CD1-CG 4.5Å; I534-P585 WeakPolarHBondContact CG2-O 3.49Å; I534-C587 VanDerWaalsContact CD1-SG 3.6Å
535A90.9Very high87.9Confident80 Ų8059.8 Ų59.866%0.66138%0.383SS*.THydrogen-bonded Turntrans-62.4140.3172.700000110.5G537A535-G537 VanDerWaalsContact C-N 3.25Å; A535-G537 PolarHBondContact O-N 2.81Å
536N90Very high88.1Confident69 Ų6958.1 Ų58.137%0.36937%0.371SS..THydrogen-bonded Turntrans58.429.8-178.6-52.1-46.4000114.9L557 Y560 C587N536-L557 PolarHBondContact O-N 2.81Å; N536-Y560 HydrophobicContact CB-CD1 3.76Å; N536-Y560 HydrophobicContact CB-CD2 4.06Å; N536-Y560 HydrophobicContact CB-CE1 3.65Å; N536-Y560 HydrophobicContact CB-CE2 3.96Å; N536-Y560 HydrophobicContact CB-CG 3.98Å; N536-Y560 VanDerWaalsContact CG-CZ 3.47Å; N536-Y560 VanDerWaalsContact ND2-CE1 3.29Å; N536-Y560 WeakPolarHBondContact ND2-CE1 3.35Å; N536-C587 HydrophobicContact CB-CB 4.1Å; N536-C587 PolarHBondContact O-SG 2.62Å
537G90.4Very high88.2Confident20 Ų2058 Ų5821%0.20637%0.372CS..EExtended strand (participates in β ladder)trans-151.3-176.117200000112.9I534 A535 R555I534-G537 PolarHBondContact O-N 3.07Å; A535-G537 VanDerWaalsContact C-N 3.25Å; A535-G537 PolarHBondContact O-N 2.81Å; G537-R555 CarbonylContact C-O 3.57Å; G537-R555 WeakPolarHBondContact CA-O 3.31Å
538H91.4Very high88.2Confident82 Ų8257.4 Ų57.438%0.3837%0.369SS..EExtended strand (participates in β ladder)trans-129.6157.9170.663-86.5000110.7Y554 R555H538-Y554 WeakPolarHBondContact O-CA 3.2Å; H538-R555 PolarHBondContact N-O 2.83Å; H538-R555 PolarHBondContact ND1-O 3.28Å; H538-R555 PolarHBondContact O-N 2.71Å
539R92.1Very high88Confident73 Ų7359.5 Ų59.528%0.27539%0.391SS..EExtended strand (participates in β ladder)trans-113149.3173.466176.1174.1170.3-5.4111.1D530 G532 E533 V552 Q553 Y554D530-R539 VanDerWaalsContact CG-NH1 3.34Å; D530-R539 IonicContact OD1-CZ 3.94Å; D530-R539 IonicContact OD1-NH1 2.9Å; D530-R539 PolarHBondContact OD1-NH1 3.05Å; D530-R539 IonicContact OD2-CZ 2.68Å; D530-R539 IonicContact OD2-NH1 3.43Å; D530-R539 PolarHBondContact OD2-NH1 2.89Å; D530-R539 IonicContact OD2-NH2 3.69Å; G532-R539 WeakPolarHBondContact O-CD 3.41Å; E533-R539 HydrophobicContact CG-CG 4.05Å; E533-R539 IonicContact OE1-CZ 2.78Å; E533-R539 VanDerWaalsContact OE1-CZ 3.29Å; E533-R539 IonicContact OE1-NE 2.65Å; E533-R539 PolarHBondContact OE1-NE 3.44Å; E533-R539 IonicContact OE1-NH2 3.03Å; E533-R539 PolarHBondContact OE1-NH2 2.79Å; R539-V552 HydrophobicContact CB-CG1 4.3Å; R539-Q553 CarbonylContact C-O 3.59Å; R539-Q553 WeakPolarHBondContact CA-O 3.46Å; R539-Y554 HydrophobicContact CB-CD1 3.85Å; R539-Y554 HydrophobicContact CB-CE1 3.66Å
540T92.4Very high88Confident59 Ų5955.6 Ų55.636%0.36236%0.359SS..EExtended strand (participates in β ladder)trans-135.9117.4167.553.80000108.4Q553T540-Q553 PolarHBondContact N-O 2.9Å; T540-Q553 PolarHBondContact O-N 2.84Å
541A90.4Very high88.1Confident52 Ų5255.6 Ų55.643%0.4336%0.356SS..EExtended strand (participates in β ladder)trans-92.5151.7174.800000110.8F546 V552A541-F546 HydrophobicContact CB-CE1 3.91Å; A541-V552 HydrophobicContact CB-CG2 4.03Å
542S87.5Confident88.3Confident48 Ų4854.8 Ų54.834%0.33635%0.35SS..SBendtrans-72.3-41.9171.854.10000112.8S550 H551S542-S550 WeakPolarHBondContact OG-CA 3.32Å; S542-H551 VanDerWaalsContact CB-CE1 3.44Å; S542-H551 WeakPolarHBondContact CB-CE1 3.29Å; S542-H551 PolarHBondContact N-O 3.45Å; S542-H551 PolarHBondContact OG-N 2.9Å; S542-H551 PolarHBondContact OG-ND1 2.89Å; S542-H551 PolarHBondContact OG-O 3.4Å
543D84.9Confident88.5Confident78 Ų7856.9 Ų56.942%0.41735%0.354SS..SBendtrans-136.9149.8-170.5-39.7-87.2000111.1P547 S550D543-P547 HydrophobicContact CB-CG 4.44Å; D543-S550 WeakPolarHBondContact CB-OG 3.17Å; D543-S550 VanDerWaalsContact CG-OG 3.3Å; D543-S550 WeakPolarHBondContact OD2-CA 3.46Å; D543-S550 VanDerWaalsContact OD2-CB 3.23Å; D543-S550 WeakPolarHBondContact OD2-CB 3.21Å; D543-S550 PolarHBondContact OD2-OG 3.19Å
544A76.3Confident88.8Confident100 Ų10050 Ų5083%0.82632%0.322SS*.THydrogen-bonded Turntrans-72.2144.2170.500000110.9F546A544-F546 PolarHBondContact O-N 2.95Å
545G79.4Confident88.8Confident48 Ų4854.7 Ų54.750%0.49534%0.338SS..THydrogen-bonded Turntrans76.8-4.5176.800000116.1T527T527-G545 VanDerWaalsContact CB-O 3.24Å; T527-G545 WeakPolarHBondContact CB-O 3.41Å; T527-G545 WeakPolarHBondContact CG2-O 3.01Å
546F88.6Confident88.8Confident28 Ų2852.1 Ų52.112%0.12332%0.315CS..  trans54.452.6173.5-42.9-72.1000116.4T527 C528 D530 A541 A544 V552 W580T527-F546 CarbonylContact C-O 3.59Å; T527-F546 WeakPolarHBondContact CA-O 3.39Å; C528-F546 HydrophobicContact CB-CB 4.38Å; C528-F546 PolarHBondContact N-O 2.63Å; D530-F546 HydrophobicContact CB-CD2 4.38Å; D530-F546 HydrophobicContact CB-CE2 3.67Å; D530-F546 HydrophobicContact CB-CZ 4.38Å; A541-F546 HydrophobicContact CB-CE1 3.91Å; A544-F546 PolarHBondContact O-N 2.95Å; F546-V552 HydrophobicContact CD1-CG2 3.82Å; F546-V552 HydrophobicContact CE1-CG2 3.69Å; F546-W580 HydrophobicContact CB-CH2 3.9Å; F546-W580 HydrophobicContact CB-CZ2 3.72Å; F546-W580 AromaticContact CD1-CH2 3.79Å; F546-W580 HydrophobicContact CD1-CH2 3.79Å; F546-W580 AromaticContact CD1-CZ2 3.82Å; F546-W580 HydrophobicContact CD1-CZ2 3.82Å; F546-W580 HydrophobicContact CG-CH2 4.11Å; F546-W580 AromaticContact CG-CZ2 3.81Å; F546-W580 HydrophobicContact CG-CZ2 3.81Å
547P86.7Confident88.8Confident36 Ų3652.7 Ų52.723%0.23432%0.318CS..BIsolated β-bridgetrans-59.5164.817126.4-34.4000113.4V525 D543 G549 S550V525-P547 HydrophobicContact CG2-CB 3.88Å; D543-P547 HydrophobicContact CB-CG 4.44Å; P547-G549 PolarHBondContact O-N 2.81Å; P547-S550 WeakPolarHBondContact CD-OG 3.39Å; P547-S550 WeakPolarHBondContact CG-OG 3.38Å; P547-S550 VanDerWaalsContact O-CB 3.22Å; P547-S550 WeakPolarHBondContact O-CB 3.44Å; P547-S550 PolarHBondContact O-N 2.76Å; P547-S550 PolarHBondContact O-OG 3.11Å
548V85.7Confident88.6Confident52 Ų5257.7 Ų57.732%0.31535%0.347SS..THydrogen-bonded Turntrans-55.2128.1172.3172.10000110.5M526 P578M526-V548 HydrophobicContact CB-CG2 4.18Å; M526-V548 PolarHBondContact O-N 3.49Å; V548-P578 HydrophobicContact CG2-CB 3.92Å; V548-P578 HydrophobicContact CG2-CG 3.72Å
549G84.8Confident87.8Confident47 Ų4755.7 Ų55.749%0.48535%0.348SS..THydrogen-bonded Turntrans100.9-23.3-173.900000114.2P547 C570P547-G549 PolarHBondContact O-N 2.81Å; G549-C570 PolarHBondContact N-O 2.91Å
550S87.1Confident87.4Confident3 Ų355.6 Ų55.62%0.02135%0.349CS..  trans-62.5151.9176.8-64.80000112.7S542 D543 P547 T569 C570S542-S550 WeakPolarHBondContact OG-CA 3.32Å; D543-S550 WeakPolarHBondContact CB-OG 3.17Å; D543-S550 VanDerWaalsContact CG-OG 3.3Å; D543-S550 WeakPolarHBondContact OD2-CA 3.46Å; D543-S550 VanDerWaalsContact OD2-CB 3.23Å; D543-S550 WeakPolarHBondContact OD2-CB 3.21Å; D543-S550 PolarHBondContact OD2-OG 3.19Å; P547-S550 WeakPolarHBondContact CD-OG 3.39Å; P547-S550 WeakPolarHBondContact CG-OG 3.38Å; P547-S550 VanDerWaalsContact O-CB 3.22Å; P547-S550 WeakPolarHBondContact O-CB 3.44Å; P547-S550 PolarHBondContact O-N 2.76Å; P547-S550 PolarHBondContact O-OG 3.11Å; S550-T569 WeakPolarHBondContact O-CA 3.41Å; S550-C570 PolarHBondContact O-N 3.01Å
551H92.4Very high87Confident87 Ų8755.1 Ų55.140%0.40335%0.348SS..EExtended strand (participates in β ladder)trans-134.9136.7-176.758.2-86000112.4S542 M567 L568S542-H551 VanDerWaalsContact CB-CE1 3.44Å; S542-H551 WeakPolarHBondContact CB-CE1 3.29Å; S542-H551 PolarHBondContact N-O 3.45Å; S542-H551 PolarHBondContact OG-N 2.9Å; S542-H551 PolarHBondContact OG-ND1 2.89Å; S542-H551 PolarHBondContact OG-O 3.4Å; H551-M567 HydrophobicContact CB-CE 3.59Å; H551-M567 HydrophobicContact CB-SD 4.03Å; H551-L568 CarbonylContact C-O 3.58Å; H551-L568 WeakPolarHBondContact CA-O 3.47Å
552V93.3Very high86.9Confident1 Ų155.2 Ų55.21%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-117.3112.7-178-1780000109.2P531 R539 A541 F546 Y554 M567 L568 W580P531-V552 HydrophobicContact CG-CB 4.38Å; P531-V552 HydrophobicContact CG-CG1 4.29Å; P531-V552 HydrophobicContact CG-CG2 4.13Å; R539-V552 HydrophobicContact CB-CG1 4.3Å; A541-V552 HydrophobicContact CB-CG2 4.03Å; F546-V552 HydrophobicContact CD1-CG2 3.82Å; F546-V552 HydrophobicContact CE1-CG2 3.69Å; V552-Y554 HydrophobicContact CB-CE2 4.4Å; V552-Y554 HydrophobicContact CG1-CD2 4.38Å; V552-Y554 HydrophobicContact CG1-CE1 4.49Å; V552-Y554 HydrophobicContact CG1-CE2 3.72Å; V552-M567 WeakPolarHBondContact O-CE 3.15Å; V552-L568 PolarHBondContact N-O 3.33Å; V552-L568 PolarHBondContact O-N 2.86Å; V552-W580 HydrophobicContact CG2-CH2 3.54Å; V552-W580 HydrophobicContact CG2-CZ2 4.16Å; V552-W580 HydrophobicContact CG2-CZ3 3.92Å
553Q94.1Very high87.1Confident66 Ų6658.5 Ų58.531%0.30835%0.35SS..EExtended strand (participates in β ladder)trans-95.6134.8-179.7-172.8173.2100.600110.3R539 T540 R555 A566 M567R539-Q553 CarbonylContact C-O 3.59Å; R539-Q553 WeakPolarHBondContact CA-O 3.46Å; T540-Q553 PolarHBondContact N-O 2.9Å; T540-Q553 PolarHBondContact O-N 2.84Å; Q553-R555 VanDerWaalsContact OE1-CZ 3.25Å; Q553-A566 WeakPolarHBondContact CA-O 3.39Å; Q553-A566 WeakPolarHBondContact CG-O 3.31Å; Q553-M567 HydrophobicContact CB-CE 3.63Å; Q553-M567 HydrophobicContact CB-SD 4.48Å; Q553-M567 HydrophobicContact CG-CE 4.5Å; Q553-M567 VanDerWaalsContact N-CE 3.26Å
554Y94.5Very high87.3Confident3 Ų357.9 Ų57.91%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-113.7139.4178.6-70.6-80.8000110.4P531 G532 I534 H538 R539 V552 L562 A566 L568 V584 P585P531-Y554 WeakPolarHBondContact CB-OH 3.47Å; P531-Y554 WeakPolarHBondContact CG-OH 3.07Å; G532-Y554 PolarHBondContact O-OH 2.86Å; I534-Y554 HydrophobicContact CB-CD1 4.48Å; I534-Y554 HydrophobicContact CD1-CD1 3.63Å; I534-Y554 HydrophobicContact CD1-CG 4.08Å; I534-Y554 HydrophobicContact CG1-CD1 3.84Å; I534-Y554 HydrophobicContact CG1-CE1 4.39Å; I534-Y554 HydrophobicContact CG2-CD1 3.86Å; I534-Y554 HydrophobicContact CG2-CE1 3.77Å; H538-Y554 WeakPolarHBondContact O-CA 3.2Å; R539-Y554 HydrophobicContact CB-CD1 3.85Å; R539-Y554 HydrophobicContact CB-CE1 3.66Å; V552-Y554 HydrophobicContact CB-CE2 4.4Å; V552-Y554 HydrophobicContact CG1-CD2 4.38Å; V552-Y554 HydrophobicContact CG1-CE1 4.49Å; V552-Y554 HydrophobicContact CG1-CE2 3.72Å; Y554-L562 VanDerWaalsContact O-CD1 3.32Å; Y554-L562 WeakPolarHBondContact O-CD1 3.39Å; Y554-A566 PolarHBondContact N-O 3.49Å; Y554-L568 HydrophobicContact CD2-CG 4.5Å; Y554-L568 HydrophobicContact CE2-CD1 3.86Å; Y554-L568 HydrophobicContact CE2-CG 4.09Å; Y554-V584 HydrophobicContact CE1-CG1 4.49Å; Y554-P585 HydrophobicContact CD1-CG 4.47Å; Y554-P585 HydrophobicContact CD2-CG 3.66Å; Y554-P585 HydrophobicContact CE2-CG 4.4Å; Y554-P585 HydrophobicContact CG-CG 3.69Å
555R92.3Very high88Confident116 Ų11654.2 Ų54.244%0.43833%0.333SS..EExtended strand (participates in β ladder)trans-139.8131.8177.4-54.5-175.9-162.3136.4-2.3110G537 H538 Q553G537-R555 CarbonylContact C-O 3.57Å; G537-R555 WeakPolarHBondContact CA-O 3.31Å; H538-R555 PolarHBondContact N-O 2.83Å; H538-R555 PolarHBondContact ND1-O 3.28Å; H538-R555 PolarHBondContact O-N 2.71Å; Q553-R555 VanDerWaalsContact OE1-CZ 3.25Å
556C91.6Very high88.4Confident26 Ų2654.3 Ų54.318%0.17633%0.329CS..EExtended strand (participates in β ladder)trans-77.9157.9179.2-60.10000112.6L562 C587C556-L562 VanDerWaalsContact SG-CA 3.54Å; C556-L562 VanDerWaalsContact SG-CB 3.6Å; C556-C587 WeakPolarHBondContact CA-SG 3.21Å; C556-C587 HydrophobicContact CB-CB 3.8Å; C556-C587 WeakPolarHBondContact CB-SG 3.41Å; C556-C587 WeakPolarHBondContact SG-CA 3.37Å; C556-C587 WeakPolarHBondContact SG-CB 3.49Å; C556-C587 CovalentContact SG-SG 2.04Å; C556-C587 PolarHBondContact SG-SG 2.94Å
557L89.2Confident88.7Confident81 Ų8156 Ų5642%0.42434%0.338SS..PPolyproline II helixtrans-69.6158.7171.3-65.8178.5000111.2N536 G559 Y560N536-L557 PolarHBondContact O-N 2.81Å; L557-G559 PolarHBondContact O-N 2.89Å; L557-Y560 HydrophobicContact CB-CD2 4.32Å; L557-Y560 WeakPolarHBondContact O-CB 3.29Å; L557-Y560 PolarHBondContact O-N 3.18Å
558P85.1Confident89Confident126 Ų12654.3 Ų54.382%0.81833%0.327SS*.THydrogen-bonded Turntrans-51.7137.5174.3-27.135.8000112.5Y560P558-Y560 VanDerWaalsContact C-N 3.33Å
559G74.6Confident89.3Confident40 Ų4054.6 Ų54.641%0.41233%0.329SS..THydrogen-bonded Turntrans87.8-9-173.300000115L557 K590L557-G559 PolarHBondContact O-N 2.89Å; G559-K590 PolarHBondContact O-N 3.4Å
560Y84.6Confident89.6Confident71 Ų7152.5 Ų52.528%0.27831%0.306SS..EExtended strand (participates in β ladder)trans-114.5149.1177.4-64.2-99.9000112.3N536 L557 P558 C587 A588 L589N536-Y560 HydrophobicContact CB-CD1 3.76Å; N536-Y560 HydrophobicContact CB-CD2 4.06Å; N536-Y560 HydrophobicContact CB-CE1 3.65Å; N536-Y560 HydrophobicContact CB-CE2 3.96Å; N536-Y560 HydrophobicContact CB-CG 3.98Å; N536-Y560 VanDerWaalsContact CG-CZ 3.47Å; N536-Y560 VanDerWaalsContact ND2-CE1 3.29Å; N536-Y560 WeakPolarHBondContact ND2-CE1 3.35Å; L557-Y560 HydrophobicContact CB-CD2 4.32Å; L557-Y560 WeakPolarHBondContact O-CB 3.29Å; L557-Y560 PolarHBondContact O-N 3.18Å; P558-Y560 VanDerWaalsContact C-N 3.33Å; Y560-C587 HydrophobicContact CD1-CB 4.33Å; Y560-A588 CarbonylContact C-O 3.59Å; Y560-A588 WeakPolarHBondContact CA-O 3.5Å; Y560-A588 WeakPolarHBondContact CB-O 3.34Å; Y560-L589 HydrophobicContact CD1-CD2 3.97Å; Y560-L589 HydrophobicContact CD1-CG 4.08Å; Y560-L589 HydrophobicContact CD2-CD2 4.34Å; Y560-L589 HydrophobicContact CE1-CD2 3.51Å; Y560-L589 HydrophobicContact CE1-CG 3.61Å; Y560-L589 HydrophobicContact CE2-CD2 3.93Å; Y560-L589 HydrophobicContact CG-CD2 4.36Å; Y560-L589 VanDerWaalsContact CZ-CD2 3.48Å
561S83.3Confident89.6Confident49 Ų4956.5 Ų56.534%0.34332%0.321SS..EExtended strand (participates in β ladder)trans-117.1146.3173.245.40000111.1C587 A588S561-C587 WeakPolarHBondContact O-CA 3.41Å; S561-A588 PolarHBondContact N-O 2.85Å; S561-A588 PolarHBondContact O-N 2.9Å
562L89.3Confident89.1Confident53 Ų5354.8 Ų54.828%0.27732%0.319SS..EExtended strand (participates in β ladder)trans-86.2126.9-175.2-167.7147.3000111.6Y554 C556 G564 A566 P585 K586Y554-L562 VanDerWaalsContact O-CD1 3.32Å; Y554-L562 WeakPolarHBondContact O-CD1 3.39Å; C556-L562 VanDerWaalsContact SG-CA 3.54Å; C556-L562 VanDerWaalsContact SG-CB 3.6Å; L562-G564 VanDerWaalsContact CD2-O 3.28Å; L562-G564 WeakPolarHBondContact CD2-O 3.42Å; L562-A566 HydrophobicContact CD1-CB 4.13Å; L562-A566 HydrophobicContact CD2-CB 4.02Å; L562-P585 HydrophobicContact CD1-CB 4.31Å; L562-P585 HydrophobicContact CD1-CG 4.23Å; L562-P585 HydrophobicContact CD2-CB 3.66Å; L562-P585 HydrophobicContact CD2-CG 4.33Å; L562-P585 HydrophobicContact CG-CB 3.98Å; L562-P585 HydrophobicContact CG-CG 4.44Å; L562-K586 CarbonylContact C-O 3.56Å; L562-K586 WeakPolarHBondContact CA-O 3.48Å
563E91.1Very high88.2Confident117 Ų11760.8 Ų60.855%0.54734%0.342SS..EExtended strand (participates in β ladder)trans-105.3116.3173.5-63.6-176.2159.700109.7P585 K586 A588E563-P585 CarbonylContact O-C 3.37Å; E563-P585 VanDerWaalsContact O-CA 3.32Å; E563-P585 WeakPolarHBondContact O-CA 3.27Å; E563-P585 VanDerWaalsContact O-CB 3.29Å; E563-P585 WeakPolarHBondContact O-CB 3.43Å; E563-K586 PolarHBondContact N-O 3.32Å; E563-K586 PolarHBondContact O-N 2.97Å; E563-A588 HydrophobicContact CG-CB 4.07Å; E563-A588 WeakPolarHBondContact OE1-CB 3.4Å
564G89.1Confident86.7Confident65 Ų6565.6 Ų65.667%0.6737%0.37SS*.SBendtrans111.6-163.2-177.600000113.2L562 A566L562-G564 VanDerWaalsContact CD2-O 3.28Å; L562-G564 WeakPolarHBondContact CD2-O 3.42Å; G564-A566 PolarHBondContact O-N 3.12Å
565A90.4Very high84.9Confident24 Ų2472 Ų7220%0.19841%0.409CS..  trans-75118.4178.100000110.8M567 L568 D582 P585A565-M567 PolarHBondContact O-N 2.95Å; A565-L568 HydrophobicContact CB-CD2 4.04Å; A565-D582 HydrophobicContact CB-CB 3.78Å; A565-P585 WeakPolarHBondContact O-CG 3.21Å
566A89.4Confident83.6Confident50 Ų5068.3 Ų68.341%0.41341%0.408SS..SBendtrans-68.8-10.7173.800000113.3Q553 Y554 L562 G564Q553-A566 WeakPolarHBondContact CA-O 3.39Å; Q553-A566 WeakPolarHBondContact CG-O 3.31Å; Y554-A566 PolarHBondContact N-O 3.49Å; L562-A566 HydrophobicContact CD1-CB 4.13Å; L562-A566 HydrophobicContact CD2-CB 4.02Å; G564-A566 PolarHBondContact O-N 3.12Å
567M93.9Very high82.7Confident63 Ų6373.1 Ų73.131%0.3144%0.436SS..EExtended strand (participates in β ladder)trans-138.8117.1-175.5177.687.4-74.400108.8H551 V552 Q553 A565H551-M567 HydrophobicContact CB-CE 3.59Å; H551-M567 HydrophobicContact CB-SD 4.03Å; V552-M567 WeakPolarHBondContact O-CE 3.15Å; Q553-M567 HydrophobicContact CB-CE 3.63Å; Q553-M567 HydrophobicContact CB-SD 4.48Å; Q553-M567 HydrophobicContact CG-CE 4.5Å; Q553-M567 VanDerWaalsContact N-CE 3.26Å; A565-M567 PolarHBondContact O-N 2.95Å
568L93.1Very high82.4Confident1 Ų170.1 Ų70.11%0.00542%0.422CS..EExtended strand (participates in β ladder)trans-101.5138.1169.3-56-173.5000109.5P531 H551 V552 Y554 A565 W580 D582P531-L568 HydrophobicContact CB-CD1 4.11Å; H551-L568 CarbonylContact C-O 3.58Å; H551-L568 WeakPolarHBondContact CA-O 3.47Å; V552-L568 PolarHBondContact N-O 3.33Å; V552-L568 PolarHBondContact O-N 2.86Å; Y554-L568 HydrophobicContact CD2-CG 4.5Å; Y554-L568 HydrophobicContact CE2-CD1 3.86Å; Y554-L568 HydrophobicContact CE2-CG 4.09Å; A565-L568 HydrophobicContact CB-CD2 4.04Å; L568-W580 HydrophobicContact CB-CB 4.47Å; L568-W580 HydrophobicContact CB-CD2 4.28Å; L568-W580 HydrophobicContact CB-CE3 3.71Å; L568-W580 HydrophobicContact CB-CZ3 4.4Å; L568-W580 HydrophobicContact CD1-CB 4.42Å; L568-W580 HydrophobicContact CD1-CG 4.44Å; L568-D582 HydrophobicContact CD2-CB 3.51Å
569T92.3Very high82.6Confident58 Ų5870.3 Ų70.336%0.35641%0.41SS..EExtended strand (participates in β ladder)trans-120.8133.5175.7-530000110.1S550 W580 S581S550-T569 WeakPolarHBondContact O-CA 3.41Å; T569-W580 VanDerWaalsContact C-CE3 3.46Å; T569-W580 CarbonylContact O-C 3.59Å; T569-W580 WeakPolarHBondContact O-CA 3.4Å; T569-S581 PolarHBondContact N-OG 2.9Å; T569-S581 PolarHBondContact O-N 2.79Å
570C90.6Very high83.4Confident2 Ų269.7 Ų69.71%0.01440%0.395CS..EExtended strand (participates in β ladder)trans-79123.1176.1-176.30000109.8C528 G549 S550 W580C528-C570 HydrophobicContact CB-CB 3.89Å; C528-C570 WeakPolarHBondContact CB-SG 3.32Å; C528-C570 WeakPolarHBondContact SG-CA 3.31Å; C528-C570 WeakPolarHBondContact SG-CB 3.44Å; C528-C570 CovalentContact SG-SG 2.03Å; C528-C570 PolarHBondContact SG-SG 3.24Å; G549-C570 PolarHBondContact N-O 2.91Å; S550-C570 PolarHBondContact O-N 3.01Å; C570-W580 HydrophobicContact CB-CE3 4.05Å; C570-W580 HydrophobicContact CB-CH2 3.95Å; C570-W580 HydrophobicContact CB-CZ3 3.71Å; C570-W580 VanDerWaalsContact N-CZ3 3.35Å
571Y87.4Confident83.7Confident87 Ų8768.9 Ų68.934%0.34140%0.4SS..EExtended strand (participates in β ladder)trans-122.3143.9176.270.7-83.3000111.6R573 P578 K579 W580Y571-R573 PolarHBondContact OH-NH2 2.94Å; Y571-P578 WeakPolarHBondContact O-CA 3.41Å; Y571-K579 WeakPolarHBondContact CD1-O 3.44Å; Y571-K579 HydrophobicContact CE1-CB 4.35Å; Y571-K579 VanDerWaalsContact CE1-O 3.3Å; Y571-K579 WeakPolarHBondContact CE1-O 3.26Å; Y571-K579 PolarHBondContact N-O 3.03Å; Y571-K579 PolarHBondContact O-N 3.32Å; Y571-W580 WeakPolarHBondContact CE1-O 3.44Å
572S81.3Confident84Confident51 Ų5171.3 Ų71.336%0.35741%0.409SS..EExtended strand (participates in β ladder)trans-76.5157.4170.5-170.60000110.7
573R74.8Confident84.1Confident128 Ų12879.4 Ų79.448%0.48344%0.435SS..EExtended strand (participates in β ladder)trans-132.2138.9174-177.1-179.9-64.2-144.9-5.8108.4Y571 T575 G576Y571-R573 PolarHBondContact OH-NH2 2.94Å; R573-T575 PolarHBondContact O-N 3.21Å; R573-G576 PolarHBondContact O-N 3Å
574D62.8Low84.2Confident167 Ų16776.7 Ų76.789%0.89343%0.427SS*.THydrogen-bonded Turntrans-58.3-16.2-165.5-42.1-82.6000115.1
575T57.1Low84.4Confident137 Ų13773.9 Ų73.984%0.8440%0.397SS*.THydrogen-bonded Turntrans-141.130.2-177.972.90000113.5R573R573-T575 PolarHBondContact O-N 3.21Å
576G64.3Low84.5Confident39 Ų3979.7 Ų79.740%0.40242%0.417SS..EExtended strand (participates in β ladder)trans-174.1174.8-178.800000116.9R573R573-G576 PolarHBondContact O-N 3Å
577T72.9Confident84.6Confident127 Ų12778.1 Ų78.178%0.77940%0.403SS*.EExtended strand (participates in β ladder)trans-56.4141-179.851.70000112.3
578P83.7Confident84.1Confident18 Ų1876.3 Ų76.312%0.11740%0.399CS..EExtended strand (participates in β ladder)trans-55152.3176.3-2634.8000113.3M526 T527 V548 Y571M526-P578 HydrophobicContact CB-CG 3.67Å; T527-P578 WeakPolarHBondContact O-CG 3.42Å; V548-P578 HydrophobicContact CG2-CB 3.92Å; V548-P578 HydrophobicContact CG2-CG 3.72Å; Y571-P578 WeakPolarHBondContact O-CA 3.41Å
579K88.3Confident83.4Confident130 Ų13079.8 Ų79.857%0.56542%0.417SS*.EExtended strand (participates in β ladder)trans-141.8150.1-179.3-163172.1179173.40112C528 Y571C528-K579 PolarHBondContact SG-N 2.68Å; C528-K579 VanDerWaalsContact SG-N 3.42Å; Y571-K579 WeakPolarHBondContact CD1-O 3.44Å; Y571-K579 HydrophobicContact CE1-CB 4.35Å; Y571-K579 VanDerWaalsContact CE1-O 3.3Å; Y571-K579 WeakPolarHBondContact CE1-O 3.26Å; Y571-K579 PolarHBondContact N-O 3.03Å; Y571-K579 PolarHBondContact O-N 3.32Å
580W91.4Very high82.3Confident26 Ų2683.6 Ų83.610%0.09843%0.428CS..EExtended strand (participates in β ladder)trans-65.3142.9168-62.7108.5000111.6C528 A529 P531 F546 V552 L568 T569 C570 Y571 D582C528-W580 HydrophobicContact CB-CD2 4.18Å; C528-W580 HydrophobicContact CB-CH2 4.32Å; C528-W580 HydrophobicContact CB-CZ2 3.58Å; A529-W580 PolarHBondContact O-NE1 2.87Å; P531-W580 HydrophobicContact CG-CD2 4.47Å; P531-W580 HydrophobicContact CG-CZ2 3.88Å; F546-W580 HydrophobicContact CB-CH2 3.9Å; F546-W580 HydrophobicContact CB-CZ2 3.72Å; F546-W580 AromaticContact CD1-CH2 3.79Å; F546-W580 HydrophobicContact CD1-CH2 3.79Å; F546-W580 AromaticContact CD1-CZ2 3.82Å; F546-W580 HydrophobicContact CD1-CZ2 3.82Å; F546-W580 HydrophobicContact CG-CH2 4.11Å; F546-W580 AromaticContact CG-CZ2 3.81Å; F546-W580 HydrophobicContact CG-CZ2 3.81Å; V552-W580 HydrophobicContact CG2-CH2 3.54Å; V552-W580 HydrophobicContact CG2-CZ2 4.16Å; V552-W580 HydrophobicContact CG2-CZ3 3.92Å; L568-W580 HydrophobicContact CB-CB 4.47Å; L568-W580 HydrophobicContact CB-CD2 4.28Å; L568-W580 HydrophobicContact CB-CE3 3.71Å; L568-W580 HydrophobicContact CB-CZ3 4.4Å; L568-W580 HydrophobicContact CD1-CB 4.42Å; L568-W580 HydrophobicContact CD1-CG 4.44Å; T569-W580 VanDerWaalsContact C-CE3 3.46Å; T569-W580 CarbonylContact O-C 3.59Å; T569-W580 WeakPolarHBondContact O-CA 3.4Å; C570-W580 HydrophobicContact CB-CE3 4.05Å; C570-W580 HydrophobicContact CB-CH2 3.95Å; C570-W580 HydrophobicContact CB-CZ3 3.71Å; C570-W580 VanDerWaalsContact N-CZ3 3.35Å; Y571-W580 WeakPolarHBondContact CE1-O 3.44Å; W580-D582 PolarHBondContact O-N 3.1Å
581S91.2Very high81.4Confident55 Ų5588.5 Ų88.539%0.38545%0.447SS..SBendtrans-49-42.8174.453.90000112.6T569T569-S581 PolarHBondContact N-OG 2.9Å; T569-S581 PolarHBondContact O-N 2.79Å
582D90.5Very high80.8Confident99 Ų9989.7 Ų89.753%0.52946%0.456SS..SBendtrans-138.1177.7-171.1-105.8-60.7000112.7A565 L568 W580A565-D582 HydrophobicContact CB-CB 3.78Å; L568-D582 HydrophobicContact CD2-CB 3.51Å; W580-D582 PolarHBondContact O-N 3.1Å
583R90.9Very high80.7Confident223 Ų22389.6 Ų89.684%0.84245%0.454SS*.  trans-83.3151.2171.2-62.2179.5-175.5-97.85.3110.8
584V92.5Very high81.1Confident61 Ų6183.6 Ų83.637%0.3743%0.432SS..  trans-52.2126.9175.2-168.80000110.6P531 I534 Y554P531-V584 HydrophobicContact CB-CG2 4.18Å; P531-V584 WeakPolarHBondContact O-CG2 3.46Å; I534-V584 HydrophobicContact CG2-CG1 3.48Å; I534-V584 VanDerWaalsContact CG2-CG1 3.48Å; Y554-V584 HydrophobicContact CE1-CG1 4.49Å
585P92.8Very high82.2Confident5 Ų581.3 Ų81.33%0.03242%0.419CS..  trans-74.8175.3-177.932.3-37.6000112.6I534 Y554 L562 E563 A565I534-P585 HydrophobicContact CD1-CG 4.5Å; I534-P585 WeakPolarHBondContact CG2-O 3.49Å; Y554-P585 HydrophobicContact CD1-CG 4.47Å; Y554-P585 HydrophobicContact CD2-CG 3.66Å; Y554-P585 HydrophobicContact CE2-CG 4.4Å; Y554-P585 HydrophobicContact CG-CG 3.69Å; L562-P585 HydrophobicContact CD1-CB 4.31Å; L562-P585 HydrophobicContact CD1-CG 4.23Å; L562-P585 HydrophobicContact CD2-CB 3.66Å; L562-P585 HydrophobicContact CD2-CG 4.33Å; L562-P585 HydrophobicContact CG-CB 3.98Å; L562-P585 HydrophobicContact CG-CG 4.44Å; E563-P585 CarbonylContact O-C 3.37Å; E563-P585 VanDerWaalsContact O-CA 3.32Å; E563-P585 WeakPolarHBondContact O-CA 3.27Å; E563-P585 VanDerWaalsContact O-CB 3.29Å; E563-P585 WeakPolarHBondContact O-CB 3.43Å; A565-P585 WeakPolarHBondContact O-CG 3.21Å
586K92.9Very high83.6Confident146 Ų14676.4 Ų76.464%0.63539%0.388SS*.EExtended strand (participates in β ladder)trans-127157.5176.5-63.1-179.1-177.4177.80111.5L562 E563L562-K586 CarbonylContact C-O 3.56Å; L562-K586 WeakPolarHBondContact CA-O 3.48Å; E563-K586 PolarHBondContact N-O 3.32Å; E563-K586 PolarHBondContact O-N 2.97Å
587C91Very high84.7Confident17 Ų1776.3 Ų76.312%0.11538%0.38CS..EExtended strand (participates in β ladder)trans-110.8109.3173.9-68.50000110.3I534 N536 C556 Y560 S561I534-C587 VanDerWaalsContact CD1-SG 3.6Å; N536-C587 HydrophobicContact CB-CB 4.1Å; N536-C587 PolarHBondContact O-SG 2.62Å; C556-C587 WeakPolarHBondContact CA-SG 3.21Å; C556-C587 HydrophobicContact CB-CB 3.8Å; C556-C587 WeakPolarHBondContact CB-SG 3.41Å; C556-C587 WeakPolarHBondContact SG-CA 3.37Å; C556-C587 WeakPolarHBondContact SG-CB 3.49Å; C556-C587 CovalentContact SG-SG 2.04Å; C556-C587 PolarHBondContact SG-SG 2.94Å; Y560-C587 HydrophobicContact CD1-CB 4.33Å; S561-C587 WeakPolarHBondContact O-CA 3.41Å
588A85.3Confident85.2Confident26 Ų2671.7 Ų71.722%0.21536%0.358CS..EExtended strand (participates in β ladder)trans-99.3152.2177.700000111.1Y560 S561 E563Y560-A588 CarbonylContact C-O 3.59Å; Y560-A588 WeakPolarHBondContact CA-O 3.5Å; Y560-A588 WeakPolarHBondContact CB-O 3.34Å; S561-A588 PolarHBondContact N-O 2.85Å; S561-A588 PolarHBondContact O-N 2.9Å; E563-A588 HydrophobicContact CG-CB 4.07Å; E563-A588 WeakPolarHBondContact OE1-CB 3.4Å
589L77.8Confident85.4Confident74 Ų7474.3 Ų74.339%0.38737%0.373SS..EExtended strand (participates in β ladder)trans-68.6134.6179.1-79.9166.6000111.5Y560 Y591Y560-L589 HydrophobicContact CD1-CD2 3.97Å; Y560-L589 HydrophobicContact CD1-CG 4.08Å; Y560-L589 HydrophobicContact CD2-CD2 4.34Å; Y560-L589 HydrophobicContact CE1-CD2 3.51Å; Y560-L589 HydrophobicContact CE1-CG 3.61Å; Y560-L589 HydrophobicContact CE2-CD2 3.93Å; Y560-L589 HydrophobicContact CG-CD2 4.36Å; Y560-L589 VanDerWaalsContact CZ-CD2 3.48Å; L589-Y591 HydrophobicContact CB-CE1 4.34Å
590K69.7Low85.4Confident137 Ų13768.8 Ų68.860%0.59635%0.351SS*.  trans-102.399.8178-175-173.8175.4-172.60110.4G559 H640G559-K590 PolarHBondContact O-N 3.4Å; K590-H640 PolarHBondContact O-CE1 3.02Å
591Y70.6Confident85Confident105 Ų10575.4 Ų75.441%0.41238%0.383SS..PPolyproline II helixtrans-71.2144.6174.9-54.3-64.7000112L589 P638L589-Y591 HydrophobicContact CB-CE1 4.34Å; Y591-P638 HydrophobicContact CD1-CB 3.66Å; Y591-P638 HydrophobicContact CD2-CB 4.18Å; Y591-P638 HydrophobicContact CE1-CB 3.7Å; Y591-P638 HydrophobicContact CE2-CB 4.2Å; Y591-P638 HydrophobicContact CG-CB 3.92Å
592E74.7Confident84.9Confident113 Ų11376 Ų7653%0.52838%0.382SS..PPolyproline II helixtrans-86.8141.6168.4-64.5-17715000109.7S642E592-S642 WeakPolarHBondContact O-CB 3.33Å; E592-S642 PolarHBondContact O-OG 2.91Å
593P79.4Confident84.7Confident48 Ų4871.6 Ų71.631%0.31236%0.359SS..PPolyproline II helixtrans-76.3145.8-178.831.9-35.6000112L595 H611 Y612P593-L595 PolarHBondContact O-N 2.9Å; P593-H611 HydrophobicContact CB-CB 4.08Å; P593-H611 HydrophobicContact CG-CB 4.05Å; P593-Y612 CarbonylContact C-O 3.57Å; P593-Y612 WeakPolarHBondContact CA-O 3.31Å; P593-Y612 WeakPolarHBondContact CB-O 3.36Å
594C84.2Confident84.6Confident3 Ų365.9 Ų65.92%0.0234%0.338CS..EExtended strand (participates in β ladder)trans-66.3133.7174.3-59.90000110.9H611 Y612 C636 S642 W644C594-H611 CarbonylContact O-C 3.56Å; C594-H611 WeakPolarHBondContact O-CA 3.45Å; C594-Y612 PolarHBondContact N-O 3.24Å; C594-Y612 PolarHBondContact O-N 3.17Å; C594-C636 HydrophobicContact CB-CB 3.81Å; C594-C636 WeakPolarHBondContact CB-SG 3.47Å; C594-C636 VanDerWaalsContact SG-CA 3.52Å; C594-C636 WeakPolarHBondContact SG-CB 3.26Å; C594-C636 CovalentContact SG-SG 2.03Å; C594-C636 PolarHBondContact SG-SG 3.28Å; C594-S642 VanDerWaalsContact SG-C 3.59Å; C594-W644 HydrophobicContact CB-CD2 4.34Å; C594-W644 HydrophobicContact CB-CZ2 3.73Å
595L85.4Confident84.4Confident118 Ų11864 Ų6462%0.61833%0.325SS*.EExtended strand (participates in β ladder)trans-64.6153.9169.1-71.6167.5000111.1P593 W644P593-L595 PolarHBondContact O-N 2.9Å; L595-W644 PolarHBondContact O-NE1 2.88Å
596N86.9Confident84Confident35 Ų3567.4 Ų67.419%0.18735%0.346CS..PPolyproline II helixtrans-59.5123.9173.8-168.9-41000110.9G598 Q605 K609 H610 Y612N596-G598 PolarHBondContact O-N 2.96Å; N596-G598 PolarHBondContact OD1-N 2.9Å; N596-Q605 PolarHBondContact ND2-NE2 3.46Å; N596-K609 WeakPolarHBondContact CB-O 3.04Å; N596-K609 PolarHBondContact ND2-O 3.06Å; N596-H610 PolarHBondContact N-O 3.34Å; N596-H610 VanDerWaalsContact N-O 3.08Å; N596-Y612 HydrophobicContact CB-CE2 3.91Å; N596-Y612 PolarHBondContact ND2-OH 2.83Å
597P86.4Confident83.6Confident36 Ų3664.8 Ų64.823%0.23434%0.339CS..  trans-75.2-9.4-17629.3-32.8000113.9L618 F620 I634 W644P597-L618 HydrophobicContact CG-CD1 3.83Å; P597-F620 HydrophobicContact CG-CZ 4.26Å; P597-I634 HydrophobicContact CB-CD1 4.19Å; P597-I634 HydrophobicContact CG-CD1 3.81Å; P597-W644 HydrophobicContact CB-CG 4.49Å; P597-W644 HydrophobicContact CG-CD2 4.36Å; P597-W644 HydrophobicContact CG-CZ2 4.25Å
598G84.1Confident83.3Confident31 Ų3171.2 Ų71.232%0.3236%0.362SS..  trans94.5159.2-177.900000113.6N596 Q605 F620N596-G598 PolarHBondContact O-N 2.96Å; N596-G598 PolarHBondContact OD1-N 2.9Å; G598-Q605 PolarHBondContact O-OE1 3.33Å; G598-F620 WeakPolarHBondContact O-CE1 3.4Å
599V87.1Confident83.2Confident73 Ų7373.4 Ų73.444%0.44237%0.366SS..PPolyproline II helixtrans-97.8134.1177.2-178.90000108.7G603 Q605V599-G603 WeakPolarHBondContact CG1-O 3.29Å; V599-Q605 HydrophobicContact CG2-CB 4.5Å; V599-Q605 HydrophobicContact CG2-CG 3.92Å; V599-Q605 VanDerWaalsContact CG2-OE1 3.23Å
600P87.6Confident83.3Confident13 Ų1375.8 Ų75.88%0.08438%0.375CS..PPolyproline II helixtrans-69.1149176.126.7-33.4000113.3N602 G603 F620 P649P600-N602 PolarHBondContact O-N 2.04Å; P600-G603 PolarHBondContact O-N 2.87Å; P600-F620 HydrophobicContact CG-CD1 4.27Å; P600-P649 WeakPolarHBondContact CB-O 3.34Å; P600-P649 WeakPolarHBondContact CG-O 3.31Å
601E84.8Confident84Confident166 Ų16674.2 Ų74.278%0.77637%0.37SS*.THydrogen-bonded Turntrans-58.2134.7170.9-164.5179.3-177.700110G603 C651E601-G603 VanDerWaalsContact C-N 3.26Å; E601-G603 PolarHBondContact O-N 3.09Å; E601-C651 WeakPolarHBondContact O-CB 3.18Å
602N87.4Confident84.8Confident68 Ų6869.3 Ų69.336%0.36435%0.351SS..THydrogen-bonded Turntrans59.726.7-171.9-52.9-62.1000115.5P600 Y623 F626 C651P600-N602 PolarHBondContact O-N 2.04Å; N602-Y623 WeakPolarHBondContact O-CD2 3.14Å; N602-Y623 PolarHBondContact O-N 2.89Å; N602-F626 HydrophobicContact CB-CD1 3.78Å; N602-F626 HydrophobicContact CB-CD2 4.07Å; N602-F626 HydrophobicContact CB-CE1 3.62Å; N602-F626 HydrophobicContact CB-CE2 3.92Å; N602-F626 HydrophobicContact CB-CG 4.02Å; N602-F626 HydrophobicContact CB-CZ 3.7Å; N602-F626 VanDerWaalsContact CG-CZ 3.44Å; N602-F626 WeakPolarHBondContact ND2-CE1 3.47Å; N602-C651 HydrophobicContact CB-CB 4.31Å
603G87.2Confident85.2Confident5 Ų569.4 Ų69.45%0.05235%0.351CS..EExtended strand (participates in β ladder)trans-139.8-171.8170.200000115.3V599 P600 E601 F621 Y623V599-G603 WeakPolarHBondContact CG1-O 3.29Å; P600-G603 PolarHBondContact O-N 2.87Å; E601-G603 VanDerWaalsContact C-N 3.26Å; E601-G603 PolarHBondContact O-N 3.09Å; G603-F621 CarbonylContact C-O 3.57Å; G603-F621 WeakPolarHBondContact CA-O 3.44Å; G603-Y623 WeakPolarHBondContact O-CE2 3.48Å; G603-Y623 PolarHBondContact O-OH 2.85Å
604Y88.6Confident85.2Confident104 Ų10468.8 Ų68.841%0.40835%0.35SS..EExtended strand (participates in β ladder)trans-148.5165175.865.4-83.6000111.7F620 F621 Y623Y604-F620 WeakPolarHBondContact O-CA 3.35Å; Y604-F621 HydrophobicContact CD1-CB 4.06Å; Y604-F621 HydrophobicContact CD2-CB 4.39Å; Y604-F621 HydrophobicContact CD2-CD2 4.26Å; Y604-F621 HydrophobicContact CE1-CB 3.55Å; Y604-F621 HydrophobicContact CE1-CG 4.47Å; Y604-F621 HydrophobicContact CE2-CB 3.92Å; Y604-F621 AromaticContact CE2-CD2 3.62Å; Y604-F621 HydrophobicContact CE2-CD2 3.62Å; Y604-F621 HydrophobicContact CE2-CE2 4.5Å; Y604-F621 HydrophobicContact CE2-CG 4.09Å; Y604-F621 HydrophobicContact CG-CB 4.46Å; Y604-F621 VanDerWaalsContact CZ-CB 3.47Å; Y604-F621 AromaticContact CZ-CD2 3.92Å; Y604-F621 AromaticContact CZ-CG 3.9Å; Y604-F621 PolarHBondContact N-O 3.12Å; Y604-F621 PolarHBondContact O-N 3.44Å; Y604-Y623 HydrophobicContact CD1-CD1 4.07Å; Y604-Y623 AromaticContact CD1-CE1 3.56Å; Y604-Y623 HydrophobicContact CD1-CE1 3.56Å; Y604-Y623 HydrophobicContact CE1-CD1 4.33Å; Y604-Y623 HydrophobicContact CE1-CE1 4.15Å; Y604-Y623 HydrophobicContact CG-CE1 4.43Å
605Q89.1Confident85.1Confident20 Ų2071.5 Ų71.59%0.09338%0.378CS..EExtended strand (participates in β ladder)trans-120.9153.4177.674.2-174.249.600111.7N596 G598 V599 L607 Y612 R619 F620N596-Q605 PolarHBondContact ND2-NE2 3.46Å; G598-Q605 PolarHBondContact O-OE1 3.33Å; V599-Q605 HydrophobicContact CG2-CB 4.5Å; V599-Q605 HydrophobicContact CG2-CG 3.92Å; V599-Q605 VanDerWaalsContact CG2-OE1 3.23Å; Q605-L607 VanDerWaalsContact C-N 3.33Å; Q605-L607 WeakPolarHBondContact CG-O 3.18Å; Q605-L607 PolarHBondContact NE2-O 3.43Å; Q605-L607 PolarHBondContact O-N 2.76Å; Q605-Y612 PolarHBondContact NE2-OH 3.48Å; Q605-R619 CarbonylContact C-O 3.21Å; Q605-R619 WeakPolarHBondContact CA-O 3.45Å; Q605-F620 HydrophobicContact CB-CD1 3.63Å; Q605-F620 HydrophobicContact CB-CE1 3.63Å
606T84.7Confident85.2Confident78 Ų7868.5 Ų68.548%0.47936%0.361SS..SBendtrans-63.5-30-174.443.70000115.6R619 F621T606-R619 HydrophobicContact CG2-CB 3.78Å; T606-R619 HydrophobicContact CG2-CG 4.34Å; T606-R619 PolarHBondContact N-O 2.99Å; T606-R619 PolarHBondContact OG1-N 3.35Å; T606-R619 PolarHBondContact OG1-O 3.04Å; T606-F621 HydrophobicContact CG2-CD2 4.5Å; T606-F621 HydrophobicContact CG2-CE2 3.71Å
607L83.1Confident85.4Confident90 Ų9070.1 Ų70.147%0.47138%0.375SS..  trans-148.9140.3-173.6-171.964.3000109.9Q605 K609 Y612 L618Q605-L607 VanDerWaalsContact C-N 3.33Å; Q605-L607 WeakPolarHBondContact CG-O 3.18Å; Q605-L607 PolarHBondContact NE2-O 3.43Å; Q605-L607 PolarHBondContact O-N 2.76Å; L607-K609 HydrophobicContact CD2-CG 4.49Å; L607-K609 HydrophobicContact CG-CG 4.5Å; L607-Y612 PolarHBondContact O-OH 2.91Å; L607-Y612 VanDerWaalsContact O-OH 3.05Å; L607-L618 HydrophobicContact CB-CD2 4.28Å; L607-L618 WeakPolarHBondContact O-CD2 3.07Å
608Y84.5Confident85.6Confident152 Ų15268.4 Ų68.460%0.59636%0.364SS*.  trans-116112.6175.3-172.3-85.9000111.1H610Y608-H610 AromaticContact CE1-CE1 3.68Å; Y608-H610 AromaticContact CZ-CE1 3.95Å; Y608-H610 PolarHBondContact OH-CE1 3.49Å
609K83.4Confident86Confident72 Ų7272.3 Ų72.331%0.31337%0.369SS..  trans-125.4161.5162.6-50.9-176.7-171.5179.30108.6N596 L607 H611 Y612 E616N596-K609 WeakPolarHBondContact CB-O 3.04Å; N596-K609 PolarHBondContact ND2-O 3.06Å; L607-K609 HydrophobicContact CD2-CG 4.49Å; L607-K609 HydrophobicContact CG-CG 4.5Å; K609-H611 VanDerWaalsContact CB-O 3.29Å; K609-H611 WeakPolarHBondContact CB-O 3.46Å; K609-H611 WeakPolarHBondContact CD-O 3.32Å; K609-Y612 HydrophobicContact CB-CD1 4.32Å; K609-Y612 HydrophobicContact CB-CE1 3.81Å; K609-Y612 HydrophobicContact CB-CE2 4.08Å; K609-Y612 HydrophobicContact CD-CD1 3.92Å; K609-Y612 HydrophobicContact CD-CE1 3.93Å; K609-Y612 HydrophobicContact CG-CD1 4.28Å; K609-Y612 HydrophobicContact CG-CE1 3.77Å; K609-Y612 PolarHBondContact N-OH 2.85Å; K609-Y612 WeakPolarHBondContact O-CE2 3.3Å; K609-Y612 PolarHBondContact O-OH 2.87Å; K609-E616 IonicContact NZ-OE1 3.79Å; K609-E616 PolarHBondContact NZ-OE1 2.62Å; K609-E616 IonicContact NZ-OE2 2.72Å; K609-E616 PolarHBondContact NZ-OE2 2.85Å
610H80.4Confident86.3Confident125 Ų12568.9 Ų68.958%0.57935%0.348SS*.SBendtrans-78.2-28.6168.9-63.2-69000112.8N596 Y608N596-H610 PolarHBondContact N-O 3.34Å; N596-H610 VanDerWaalsContact N-O 3.08Å; Y608-H610 AromaticContact CE1-CE1 3.68Å; Y608-H610 AromaticContact CZ-CE1 3.95Å; Y608-H610 PolarHBondContact OH-CE1 3.49Å
611H85.4Confident86.5Confident104 Ų10471.8 Ų71.848%0.48136%0.36SS..EExtended strand (participates in β ladder)trans-137.6146-177.9-56.897.1000110.1P593 C594 K609P593-H611 HydrophobicContact CB-CB 4.08Å; P593-H611 HydrophobicContact CG-CB 4.05Å; C594-H611 CarbonylContact O-C 3.56Å; C594-H611 WeakPolarHBondContact O-CA 3.45Å; K609-H611 VanDerWaalsContact CB-O 3.29Å; K609-H611 WeakPolarHBondContact CB-O 3.46Å; K609-H611 WeakPolarHBondContact CD-O 3.32Å
612Y85.9Confident86.8Confident2 Ų265.1 Ų65.11%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-128.6137.5-178.9-61.8-93.6000110.5P593 C594 N596 Q605 L607 K609 E616 L618 W644P593-Y612 CarbonylContact C-O 3.57Å; P593-Y612 WeakPolarHBondContact CA-O 3.31Å; P593-Y612 WeakPolarHBondContact CB-O 3.36Å; C594-Y612 PolarHBondContact N-O 3.24Å; C594-Y612 PolarHBondContact O-N 3.17Å; N596-Y612 HydrophobicContact CB-CE2 3.91Å; N596-Y612 PolarHBondContact ND2-OH 2.83Å; Q605-Y612 PolarHBondContact NE2-OH 3.48Å; L607-Y612 PolarHBondContact O-OH 2.91Å; L607-Y612 VanDerWaalsContact O-OH 3.05Å; K609-Y612 HydrophobicContact CB-CD1 4.32Å; K609-Y612 HydrophobicContact CB-CE1 3.81Å; K609-Y612 HydrophobicContact CB-CE2 4.08Å; K609-Y612 HydrophobicContact CD-CD1 3.92Å; K609-Y612 HydrophobicContact CD-CE1 3.93Å; K609-Y612 HydrophobicContact CG-CD1 4.28Å; K609-Y612 HydrophobicContact CG-CE1 3.77Å; K609-Y612 PolarHBondContact N-OH 2.85Å; K609-Y612 WeakPolarHBondContact O-CE2 3.3Å; K609-Y612 PolarHBondContact O-OH 2.87Å; Y612-E616 WeakPolarHBondContact CA-OE2 3.42Å; Y612-L618 HydrophobicContact CD1-CD2 4.42Å; Y612-L618 HydrophobicContact CD1-CG 4.36Å; Y612-L618 HydrophobicContact CD2-CD1 4.4Å; Y612-L618 HydrophobicContact CE1-CD1 4.05Å; Y612-L618 HydrophobicContact CE1-CD2 3.61Å; Y612-L618 HydrophobicContact CE1-CG 3.95Å; Y612-L618 HydrophobicContact CE2-CD1 3.92Å; Y612-W644 HydrophobicContact CD1-CH2 4.33Å; Y612-W644 AromaticContact CD2-CH2 3.94Å; Y612-W644 HydrophobicContact CD2-CH2 3.94Å; Y612-W644 AromaticContact CD2-CZ2 3.62Å; Y612-W644 HydrophobicContact CD2-CZ2 3.62Å; Y612-W644 HydrophobicContact CE2-CZ2 4.33Å; Y612-W644 AromaticContact CG-CH2 3.75Å; Y612-W644 HydrophobicContact CG-CH2 3.75Å; Y612-W644 AromaticContact CG-CZ2 3.89Å; Y612-W644 HydrophobicContact CG-CZ2 3.89Å
613Q83.5Confident86.9Confident114 Ų11467.8 Ų67.853%0.53334%0.337SS..  trans-76.3155.7-179.7-62.1-61.8-16.800111.4G615 E616Q613-G615 PolarHBondContact O-N 2.94Å; Q613-E616 HydrophobicContact CB-CG 4.19Å; Q613-E616 PolarHBondContact N-OE2 3.41Å; Q613-E616 VanDerWaalsContact O-CB 3.32Å; Q613-E616 WeakPolarHBondContact O-CB 3.4Å; Q613-E616 WeakPolarHBondContact O-CG 3.01Å; Q613-E616 PolarHBondContact O-N 2.94Å
614A79.6Confident86.8Confident36 Ų3676.9 Ų76.930%0.29838%0.378SS..THydrogen-bonded Turntrans-58.2130.5173.700000110.5P638A614-P638 HydrophobicContact CB-CB 3.74Å; A614-P638 HydrophobicContact CB-CG 4.4Å
615G83Confident86.4Confident59 Ų5974.2 Ų74.261%0.60838%0.382SS*.THydrogen-bonded Turntrans95.4-16.9-170.400000114.9Q613 C636Q613-G615 PolarHBondContact O-N 2.94Å; G615-C636 PolarHBondContact N-O 3.34Å
616E87.3Confident86.3Confident56 Ų5676 Ų7626%0.26239%0.39SS..  trans-71146.8176.1-64.7-158103.200112.3K609 Y612 Q613 T635 C636K609-E616 IonicContact NZ-OE1 3.79Å; K609-E616 PolarHBondContact NZ-OE1 2.62Å; K609-E616 IonicContact NZ-OE2 2.72Å; K609-E616 PolarHBondContact NZ-OE2 2.85Å; Y612-E616 WeakPolarHBondContact CA-OE2 3.42Å; Q613-E616 HydrophobicContact CB-CG 4.19Å; Q613-E616 PolarHBondContact N-OE2 3.41Å; Q613-E616 VanDerWaalsContact O-CB 3.32Å; Q613-E616 WeakPolarHBondContact O-CB 3.4Å; Q613-E616 WeakPolarHBondContact O-CG 3.01Å; Q613-E616 PolarHBondContact O-N 2.94Å; E616-T635 WeakPolarHBondContact O-CA 3.36Å; E616-C636 PolarHBondContact O-N 2.83Å
617S91.2Very high86.3Confident68 Ų6878.4 Ų78.448%0.47640%0.395SS..EExtended strand (participates in β ladder)trans-124.3134.1-174-56.50000111.1I634 T635S617-I634 CarbonylContact C-O 3.53Å; S617-I634 WeakPolarHBondContact CA-O 3.09Å; S617-T635 VanDerWaalsContact OG-CG2 3.32Å; S617-T635 WeakPolarHBondContact OG-CG2 3.46Å
618L90Very high86.6Confident0 Ų076.4 Ų76.40%039%0.385CS..EExtended strand (participates in β ladder)trans-113.2135.5175.7-80.7178.7000110.6P597 L607 Y612 T633 I634 W644P597-L618 HydrophobicContact CG-CD1 3.83Å; L607-L618 HydrophobicContact CB-CD2 4.28Å; L607-L618 WeakPolarHBondContact O-CD2 3.07Å; Y612-L618 HydrophobicContact CD1-CD2 4.42Å; Y612-L618 HydrophobicContact CD1-CG 4.36Å; Y612-L618 HydrophobicContact CD2-CD1 4.4Å; Y612-L618 HydrophobicContact CE1-CD1 4.05Å; Y612-L618 HydrophobicContact CE1-CD2 3.61Å; Y612-L618 HydrophobicContact CE1-CG 3.95Å; Y612-L618 HydrophobicContact CE2-CD1 3.92Å; L618-T633 CarbonylContact O-C 3.56Å; L618-T633 VanDerWaalsContact O-CA 3.25Å; L618-T633 WeakPolarHBondContact O-CA 3.47Å; L618-I634 HydrophobicContact CB-CG1 4.23Å; L618-I634 PolarHBondContact N-O 2.94Å; L618-I634 PolarHBondContact O-N 2.92Å; L618-W644 HydrophobicContact CB-CH2 4.47Å; L618-W644 HydrophobicContact CB-CZ3 4.36Å; L618-W644 HydrophobicContact CD1-CH2 3.61Å; L618-W644 HydrophobicContact CD1-CZ2 3.92Å; L618-W644 HydrophobicContact CD1-CZ3 4.21Å; L618-W644 HydrophobicContact CG-CH2 3.89Å; L618-W644 HydrophobicContact CG-CZ3 4.25Å
619R92.7Very high86.8Confident114 Ų11473.6 Ų73.643%0.4338%0.379SS..EExtended strand (participates in β ladder)trans-119.9140178.3-179.5170.2-163.2103.8-6.8110.6Q605 T606 F621 V632 T633Q605-R619 CarbonylContact C-O 3.21Å; Q605-R619 WeakPolarHBondContact CA-O 3.45Å; T606-R619 HydrophobicContact CG2-CB 3.78Å; T606-R619 HydrophobicContact CG2-CG 4.34Å; T606-R619 PolarHBondContact N-O 2.99Å; T606-R619 PolarHBondContact OG1-N 3.35Å; T606-R619 PolarHBondContact OG1-O 3.04Å; R619-F621 HydrophobicContact CG-CE2 4.07Å; R619-F621 HydrophobicContact CG-CZ 4.02Å; R619-V632 WeakPolarHBondContact CA-O 3.34Å; R619-V632 HydrophobicContact CG-CG1 4.19Å; R619-V632 WeakPolarHBondContact CG-O 3.47Å; R619-T633 HydrophobicContact CB-CG2 4.36Å; R619-T633 WeakPolarHBondContact CB-OG1 3.12Å; R619-T633 VanDerWaalsContact CG-OG1 3.32Å; R619-T633 WeakPolarHBondContact CG-OG1 3.3Å; R619-T633 PolarHBondContact NH1-OG1 2.88Å
620F92.5Very high87.1Confident0 Ų072.7 Ų72.70%039%0.391CS..EExtended strand (participates in β ladder)trans-114.6155.9-176.9-61.6-84.3000112.2P597 G598 P600 Y604 Q605 L628 V632 I634 P648 P649P597-F620 HydrophobicContact CG-CZ 4.26Å; G598-F620 WeakPolarHBondContact O-CE1 3.4Å; P600-F620 HydrophobicContact CG-CD1 4.27Å; Y604-F620 WeakPolarHBondContact O-CA 3.35Å; Q605-F620 HydrophobicContact CB-CD1 3.63Å; Q605-F620 HydrophobicContact CB-CE1 3.63Å; F620-L628 HydrophobicContact CB-CD1 4.26Å; F620-L628 WeakPolarHBondContact O-CD1 3.24Å; F620-V632 PolarHBondContact N-O 2.91Å; F620-V632 VanDerWaalsContact N-O 3.11Å; F620-I634 HydrophobicContact CE2-CD1 3.67Å; F620-I634 HydrophobicContact CE2-CG1 3.89Å; F620-I634 HydrophobicContact CZ-CD1 4.11Å; F620-P648 HydrophobicContact CE1-CB 4.45Å; F620-P648 HydrophobicContact CE2-CB 4.36Å; F620-P648 HydrophobicContact CZ-CB 4.02Å; F620-P649 HydrophobicContact CB-CG 3.63Å; F620-P649 HydrophobicContact CD2-CG 3.76Å; F620-P649 HydrophobicContact CG-CG 3.81Å
621F91.9Very high87.6Confident75 Ų7571.4 Ų71.433%0.32939%0.385SS..EExtended strand (participates in β ladder)trans-143.6152.1176-61.1-80.7000109.7G603 Y604 T606 R619G603-F621 CarbonylContact C-O 3.57Å; G603-F621 WeakPolarHBondContact CA-O 3.44Å; Y604-F621 HydrophobicContact CD1-CB 4.06Å; Y604-F621 HydrophobicContact CD2-CB 4.39Å; Y604-F621 HydrophobicContact CD2-CD2 4.26Å; Y604-F621 HydrophobicContact CE1-CB 3.55Å; Y604-F621 HydrophobicContact CE1-CG 4.47Å; Y604-F621 HydrophobicContact CE2-CB 3.92Å; Y604-F621 AromaticContact CE2-CD2 3.62Å; Y604-F621 HydrophobicContact CE2-CD2 3.62Å; Y604-F621 HydrophobicContact CE2-CE2 4.5Å; Y604-F621 HydrophobicContact CE2-CG 4.09Å; Y604-F621 HydrophobicContact CG-CB 4.46Å; Y604-F621 VanDerWaalsContact CZ-CB 3.47Å; Y604-F621 AromaticContact CZ-CD2 3.92Å; Y604-F621 AromaticContact CZ-CG 3.9Å; Y604-F621 PolarHBondContact N-O 3.12Å; Y604-F621 PolarHBondContact O-N 3.44Å; T606-F621 HydrophobicContact CG2-CD2 4.5Å; T606-F621 HydrophobicContact CG2-CE2 3.71Å; R619-F621 HydrophobicContact CG-CE2 4.07Å; R619-F621 HydrophobicContact CG-CZ 4.02Å
622C91.3Very high87.8Confident26 Ų2668.7 Ų68.718%0.17638%0.376CS..EExtended strand (participates in β ladder)trans-101.1158.6172.6-59.60000110.9F626 L628 C651C622-F626 HydrophobicContact CB-CB 3.96Å; C622-L628 VanDerWaalsContact SG-CA 3.59Å; C622-L628 VanDerWaalsContact SG-CB 3.56Å; C622-C651 WeakPolarHBondContact CA-SG 3.5Å; C622-C651 HydrophobicContact CB-CB 3.74Å; C622-C651 WeakPolarHBondContact CB-SG 3.33Å; C622-C651 VanDerWaalsContact SG-CA 3.51Å; C622-C651 WeakPolarHBondContact SG-CB 3.38Å; C622-C651 CovalentContact SG-SG 2.03Å; C622-C651 PolarHBondContact SG-SG 3.37Å
623Y89.1Confident88.1Confident124 Ų12470.4 Ų70.449%0.48639%0.386SS..PPolyproline II helixtrans-76.6165.3169.6-59.3-61.8000111.5N602 G603 Y604 F626N602-Y623 WeakPolarHBondContact O-CD2 3.14Å; N602-Y623 PolarHBondContact O-N 2.89Å; G603-Y623 WeakPolarHBondContact O-CE2 3.48Å; G603-Y623 PolarHBondContact O-OH 2.85Å; Y604-Y623 HydrophobicContact CD1-CD1 4.07Å; Y604-Y623 AromaticContact CD1-CE1 3.56Å; Y604-Y623 HydrophobicContact CD1-CE1 3.56Å; Y604-Y623 HydrophobicContact CE1-CD1 4.33Å; Y604-Y623 HydrophobicContact CE1-CE1 4.15Å; Y604-Y623 HydrophobicContact CG-CE1 4.43Å; Y623-F626 PolarHBondContact O-N 2.92Å
624E86.4Confident88.5Confident196 Ų19665 Ų6592%0.91636%0.361SS*.THydrogen-bonded Turntrans-57.7139.2-177.4-62.4-171.7153.400112.3
625G79.1Confident89.1Confident48 Ų4865.2 Ų65.250%0.49536%0.359SS..THydrogen-bonded Turntrans88.6-5.5-174.200000115.1A654G625-A654 PolarHBondContact O-N 2.87Å
626F86.9Confident89.4Confident57 Ų5762.5 Ų62.525%0.2533%0.33CS..EExtended strand (participates in β ladder)trans-118.2136.7177.9-60.4-101.7000112.5N602 C622 Y623 C651 K652 V653N602-F626 HydrophobicContact CB-CD1 3.78Å; N602-F626 HydrophobicContact CB-CD2 4.07Å; N602-F626 HydrophobicContact CB-CE1 3.62Å; N602-F626 HydrophobicContact CB-CE2 3.92Å; N602-F626 HydrophobicContact CB-CG 4.02Å; N602-F626 HydrophobicContact CB-CZ 3.7Å; N602-F626 VanDerWaalsContact CG-CZ 3.44Å; N602-F626 WeakPolarHBondContact ND2-CE1 3.47Å; C622-F626 HydrophobicContact CB-CB 3.96Å; Y623-F626 PolarHBondContact O-N 2.92Å; F626-C651 HydrophobicContact CB-CB 4.05Å; F626-C651 HydrophobicContact CD1-CB 4.43Å; F626-K652 CarbonylContact C-O 3.59Å; F626-K652 WeakPolarHBondContact CA-O 3.42Å; F626-V653 HydrophobicContact CD1-CG2 4.05Å; F626-V653 HydrophobicContact CE1-CG2 3.61Å; F626-V653 HydrophobicContact CZ-CG2 4.19Å
627E85.6Confident89.3Confident128 Ų12862.9 Ų62.960%0.59834%0.336SS*.EExtended strand (participates in β ladder)trans-95.8145.1171.1-72.2-174.5169.300111.8C651 K652 A654E627-C651 WeakPolarHBondContact O-CA 3.44Å; E627-K652 PolarHBondContact N-O 3.06Å; E627-K652 PolarHBondContact O-N 2.83Å; E627-A654 HydrophobicContact CG-CB 3.92Å
628L89.3Confident88.8Confident49 Ų4963.1 Ų63.126%0.25734%0.337SS..EExtended strand (participates in β ladder)trans-89.6118.6-179.3-170.7159.8000110.3F620 C622 V632 P649F620-L628 HydrophobicContact CB-CD1 4.26Å; F620-L628 WeakPolarHBondContact O-CD1 3.24Å; C622-L628 VanDerWaalsContact SG-CA 3.59Å; C622-L628 VanDerWaalsContact SG-CB 3.56Å; L628-V632 HydrophobicContact CD1-CG2 4.45Å; L628-V632 HydrophobicContact CD2-CG2 3.85Å; L628-P649 HydrophobicContact CD1-CG 4.16Å; L628-P649 HydrophobicContact CD2-CB 3.44Å; L628-P649 VanDerWaalsContact CD2-CB 3.44Å; L628-P649 HydrophobicContact CD2-CG 3.91Å; L628-P649 HydrophobicContact CG-CB 3.9Å; L628-P649 HydrophobicContact CG-CG 4.07Å
629I88.7Confident87.8Confident92 Ų9264 Ų6447%0.47235%0.346SS..EExtended strand (participates in β ladder)trans-114105.3179.5-54.9177.6000109L650 K652I629-L650 PolarHBondContact N-O 2.92Å; I629-L650 PolarHBondContact O-N 3.2Å; I629-K652 HydrophobicContact CD1-CB 4.1Å; I629-K652 HydrophobicContact CD1-CD 3.77Å; I629-K652 HydrophobicContact CD1-CG 3.98Å
630G88.8Confident86.4Confident54 Ų5464 Ų6456%0.55735%0.35SS*.SBendtrans141.1-166.4-179.700000111.3
631E91.9Very high85.4Confident97 Ų9767.6 Ų67.645%0.45337%0.374SS..  trans-77129.1177.2-17647.4-108.500110.6T633 I634 P649E631-T633 VanDerWaalsContact C-N 3.34Å; E631-T633 WeakPolarHBondContact CG-O 3.43Å; E631-T633 PolarHBondContact OE1-N 2.84Å; E631-I634 HydrophobicContact CB-CG2 4.1Å; E631-I634 HydrophobicContact CG-CG2 4.09Å; E631-P649 WeakPolarHBondContact O-CG 3.4Å
632V89.8Confident84.9Confident48 Ų4864.6 Ų64.629%0.29136%0.362SS..SBendtrans-75.3-27.8-176.41800000110.7R619 F620 L628R619-V632 WeakPolarHBondContact CA-O 3.34Å; R619-V632 HydrophobicContact CG-CG1 4.19Å; R619-V632 WeakPolarHBondContact CG-O 3.47Å; F620-V632 PolarHBondContact N-O 2.91Å; F620-V632 VanDerWaalsContact N-O 3.11Å; L628-V632 HydrophobicContact CD1-CG2 4.45Å; L628-V632 HydrophobicContact CD2-CG2 3.85Å
633T91.9Very high84.7Confident37 Ų3769.4 Ų69.423%0.22738%0.382CS..EExtended strand (participates in β ladder)trans-140113178-59.40000112.2L618 R619 E631L618-T633 CarbonylContact O-C 3.56Å; L618-T633 VanDerWaalsContact O-CA 3.25Å; L618-T633 WeakPolarHBondContact O-CA 3.47Å; R619-T633 HydrophobicContact CB-CG2 4.36Å; R619-T633 WeakPolarHBondContact CB-OG1 3.12Å; R619-T633 VanDerWaalsContact CG-OG1 3.32Å; R619-T633 WeakPolarHBondContact CG-OG1 3.3Å; R619-T633 PolarHBondContact NH1-OG1 2.88Å; E631-T633 VanDerWaalsContact C-N 3.34Å; E631-T633 WeakPolarHBondContact CG-O 3.43Å; E631-T633 PolarHBondContact OE1-N 2.84Å
634I91.8Very high84.7Confident0 Ų065.7 Ų65.70%037%0.367CS..EExtended strand (participates in β ladder)trans-101.7151.3178.566.5179.8000110.6P597 S617 L618 F620 E631 W644P597-I634 HydrophobicContact CB-CD1 4.19Å; P597-I634 HydrophobicContact CG-CD1 3.81Å; S617-I634 CarbonylContact C-O 3.53Å; S617-I634 WeakPolarHBondContact CA-O 3.09Å; L618-I634 HydrophobicContact CB-CG1 4.23Å; L618-I634 PolarHBondContact N-O 2.94Å; L618-I634 PolarHBondContact O-N 2.92Å; F620-I634 HydrophobicContact CE2-CD1 3.67Å; F620-I634 HydrophobicContact CE2-CG1 3.89Å; F620-I634 HydrophobicContact CZ-CD1 4.11Å; E631-I634 HydrophobicContact CB-CG2 4.1Å; E631-I634 HydrophobicContact CG-CG2 4.09Å; I634-W644 HydrophobicContact CB-CE3 4.32Å; I634-W644 HydrophobicContact CD1-CB 4.33Å; I634-W644 HydrophobicContact CD1-CD2 4.1Å; I634-W644 HydrophobicContact CD1-CE3 4.01Å; I634-W644 HydrophobicContact CD1-CG 4.23Å; I634-W644 HydrophobicContact CG1-CD2 4.34Å; I634-W644 HydrophobicContact CG1-CE3 3.74Å; I634-W644 HydrophobicContact CG1-CZ3 4.24Å
635T91.8Very high84.9Confident42 Ų4260.2 Ų60.226%0.25835%0.347SS..EExtended strand (participates in β ladder)trans-129140-172.163.20000111.1E616 S617 V637 W644 T645E616-T635 WeakPolarHBondContact O-CA 3.36Å; S617-T635 VanDerWaalsContact OG-CG2 3.32Å; S617-T635 WeakPolarHBondContact OG-CG2 3.46Å; T635-V637 PolarHBondContact O-N 3.11Å; T635-W644 WeakPolarHBondContact O-CA 3.45Å; T635-T645 PolarHBondContact N-OG1 2.84Å; T635-T645 PolarHBondContact O-N 3.13Å; T635-T645 PolarHBondContact O-OG1 3.05Å; T635-T645 VanDerWaalsContact OG1-CG2 3.23Å; T635-T645 WeakPolarHBondContact OG1-CG2 3.37Å; T635-T645 PolarHBondContact OG1-OG1 2.54Å
636C89.3Confident85.4Confident1 Ų160.6 Ų60.61%0.00734%0.342CS..EExtended strand (participates in β ladder)trans-80.4108.2176.21780000108.7C594 G615 E616 W644C594-C636 HydrophobicContact CB-CB 3.81Å; C594-C636 WeakPolarHBondContact CB-SG 3.47Å; C594-C636 VanDerWaalsContact SG-CA 3.52Å; C594-C636 WeakPolarHBondContact SG-CB 3.26Å; C594-C636 CovalentContact SG-SG 2.03Å; C594-C636 PolarHBondContact SG-SG 3.28Å; G615-C636 PolarHBondContact N-O 3.34Å; E616-C636 PolarHBondContact O-N 2.83Å; C636-W644 HydrophobicContact CB-CE3 4.15Å; C636-W644 HydrophobicContact CB-CH2 4.04Å; C636-W644 HydrophobicContact CB-CZ2 4.48Å; C636-W644 HydrophobicContact CB-CZ3 3.87Å
637V86.6Confident85.4Confident64 Ų6465.6 Ų65.639%0.38837%0.366SS..EExtended strand (participates in β ladder)trans-91.2137.2177.2-76.70000111.2T635 G639 S642 Q643 T645T635-V637 PolarHBondContact O-N 3.11Å; V637-G639 PolarHBondContact O-N 3.25Å; V637-S642 WeakPolarHBondContact O-CA 2.97Å; V637-S642 VanDerWaalsContact O-CB 3.25Å; V637-S642 WeakPolarHBondContact O-CB 3.09Å; V637-Q643 WeakPolarHBondContact CG2-O 3.34Å; V637-Q643 PolarHBondContact N-O 3.5Å; V637-Q643 PolarHBondContact O-N 3.47Å; V637-T645 HydrophobicContact CG1-CG2 3.59Å; V637-T645 HydrophobicContact CG2-CG2 4.16Å
638P79.3Confident85.4Confident74 Ų7461.7 Ų61.748%0.48135%0.352SS..  trans-62.3132.2-176.423.5-32.1000111.8Y591 A614Y591-P638 HydrophobicContact CD1-CB 3.66Å; Y591-P638 HydrophobicContact CD2-CB 4.18Å; Y591-P638 HydrophobicContact CE1-CB 3.7Å; Y591-P638 HydrophobicContact CE2-CB 4.2Å; Y591-P638 HydrophobicContact CG-CB 3.92Å; A614-P638 HydrophobicContact CB-CB 3.74Å; A614-P638 HydrophobicContact CB-CG 4.4Å
639G68.6Low85.5Confident19 Ų1959.5 Ų59.520%0.19634%0.341CS..  trans-166.8-170.7178.200000113V637 P641 S642V637-G639 PolarHBondContact O-N 3.25Å; G639-P641 CarbonylContact C-O 3.53Å; G639-P641 CarbonylContact O-C 3.59Å; G639-S642 PolarHBondContact N-OG 3.43Å; G639-S642 VanDerWaalsContact N-OG 3.09Å; G639-S642 PolarHBondContact O-N 3.27Å; G639-S642 PolarHBondContact O-OG 2.97Å
640H64.8Low85.5Confident113 Ų11360.1 Ų60.152%0.52335%0.345SS..THydrogen-bonded Turntrans-132.388175.5-63.2-76.3000109.9K590K590-H640 PolarHBondContact O-CE1 3.02Å
641P71.6Confident85.6Confident76 Ų7658.3 Ų58.349%0.49432%0.323SS..THydrogen-bonded Turncis-72.6161.4-6.832.7-36.7000112.2G639G639-P641 CarbonylContact C-O 3.53Å; G639-P641 CarbonylContact O-C 3.59Å
642S81.6Confident85.3Confident11 Ų1159.5 Ų59.58%0.07733%0.327CS..  trans-66.9147.8169.2-58.40000110.7E592 C594 V637 G639E592-S642 WeakPolarHBondContact O-CB 3.33Å; E592-S642 PolarHBondContact O-OG 2.91Å; C594-S642 VanDerWaalsContact SG-C 3.59Å; V637-S642 WeakPolarHBondContact O-CA 2.97Å; V637-S642 VanDerWaalsContact O-CB 3.25Å; V637-S642 WeakPolarHBondContact O-CB 3.09Å; G639-S642 PolarHBondContact N-OG 3.43Å; G639-S642 VanDerWaalsContact N-OG 3.09Å; G639-S642 PolarHBondContact O-N 3.27Å; G639-S642 PolarHBondContact O-OG 2.97Å
643Q85.4Confident85Confident128 Ų12862.1 Ų62.160%0.59834%0.342SS*.EExtended strand (participates in β ladder)trans-131.6157.5-171.8-59.4-174.517.300111.7V637V637-Q643 WeakPolarHBondContact CG2-O 3.34Å; V637-Q643 PolarHBondContact N-O 3.5Å; V637-Q643 PolarHBondContact O-N 3.47Å
644W89.9Confident83.9Confident46 Ų4662.1 Ų62.117%0.17435%0.346CS..EExtended strand (participates in β ladder)trans-80.8140.7171.2-66.2104.1000110.6C594 L595 P597 Y612 L618 I634 T635 C636 S646C594-W644 HydrophobicContact CB-CD2 4.34Å; C594-W644 HydrophobicContact CB-CZ2 3.73Å; L595-W644 PolarHBondContact O-NE1 2.88Å; P597-W644 HydrophobicContact CB-CG 4.49Å; P597-W644 HydrophobicContact CG-CD2 4.36Å; P597-W644 HydrophobicContact CG-CZ2 4.25Å; Y612-W644 HydrophobicContact CD1-CH2 4.33Å; Y612-W644 AromaticContact CD2-CH2 3.94Å; Y612-W644 HydrophobicContact CD2-CH2 3.94Å; Y612-W644 AromaticContact CD2-CZ2 3.62Å; Y612-W644 HydrophobicContact CD2-CZ2 3.62Å; Y612-W644 HydrophobicContact CE2-CZ2 4.33Å; Y612-W644 AromaticContact CG-CH2 3.75Å; Y612-W644 HydrophobicContact CG-CH2 3.75Å; Y612-W644 AromaticContact CG-CZ2 3.89Å; Y612-W644 HydrophobicContact CG-CZ2 3.89Å; L618-W644 HydrophobicContact CB-CH2 4.47Å; L618-W644 HydrophobicContact CB-CZ3 4.36Å; L618-W644 HydrophobicContact CD1-CH2 3.61Å; L618-W644 HydrophobicContact CD1-CZ2 3.92Å; L618-W644 HydrophobicContact CD1-CZ3 4.21Å; L618-W644 HydrophobicContact CG-CH2 3.89Å; L618-W644 HydrophobicContact CG-CZ3 4.25Å; I634-W644 HydrophobicContact CB-CE3 4.32Å; I634-W644 HydrophobicContact CD1-CB 4.33Å; I634-W644 HydrophobicContact CD1-CD2 4.1Å; I634-W644 HydrophobicContact CD1-CE3 4.01Å; I634-W644 HydrophobicContact CD1-CG 4.23Å; I634-W644 HydrophobicContact CG1-CD2 4.34Å; I634-W644 HydrophobicContact CG1-CE3 3.74Å; I634-W644 HydrophobicContact CG1-CZ3 4.24Å; T635-W644 WeakPolarHBondContact O-CA 3.45Å; C636-W644 HydrophobicContact CB-CE3 4.15Å; C636-W644 HydrophobicContact CB-CH2 4.04Å; C636-W644 HydrophobicContact CB-CZ2 4.48Å; C636-W644 HydrophobicContact CB-CZ3 3.87Å; W644-S646 WeakPolarHBondContact CB-O 3.49Å; W644-S646 PolarHBondContact O-N 3.08Å
645T90.9Very high82.4Confident80 Ų8072 Ų7249%0.49139%0.385SS..SBendtrans-64.5-18.9177.739.50000114.7T635 V637T635-T645 PolarHBondContact N-OG1 2.84Å; T635-T645 PolarHBondContact O-N 3.13Å; T635-T645 PolarHBondContact O-OG1 3.05Å; T635-T645 VanDerWaalsContact OG1-CG2 3.23Å; T635-T645 WeakPolarHBondContact OG1-CG2 3.37Å; T635-T645 PolarHBondContact OG1-OG1 2.54Å; V637-T645 HydrophobicContact CG1-CG2 3.59Å; V637-T645 HydrophobicContact CG2-CG2 4.16Å
646S88.6Confident80.7Confident56 Ų5679.2 Ų79.239%0.39242%0.416SS..SBendtrans-154.2169170.3-164.10000110.9W644W644-S646 WeakPolarHBondContact CB-O 3.49Å; W644-S646 PolarHBondContact O-N 3.08Å
647Q87.8Confident78.9Confident162 Ų16288.4 Ų88.476%0.75746%0.459SS*.PPolyproline II helixtrans-73.7156.1170.5-68.4-176.1-0.200110.7
648P86.2Confident77.3Confident47 Ų4793 Ų9331%0.30548%0.48SS..PPolyproline II helixtrans-60.1139.7175.425.9-35000111.1F620F620-P648 HydrophobicContact CE1-CB 4.45Å; F620-P648 HydrophobicContact CE2-CB 4.36Å; F620-P648 HydrophobicContact CZ-CB 4.02Å
649P89.9Confident75.9Confident3 Ų398 Ų982%0.01950%0.502CS..PPolyproline II helixtrans-71.9161.3-179.532-36.7000111.8P600 F620 L628 E631P600-P649 WeakPolarHBondContact CB-O 3.34Å; P600-P649 WeakPolarHBondContact CG-O 3.31Å; F620-P649 HydrophobicContact CB-CG 3.63Å; F620-P649 HydrophobicContact CD2-CG 3.76Å; F620-P649 HydrophobicContact CG-CG 3.81Å; L628-P649 HydrophobicContact CD1-CG 4.16Å; L628-P649 HydrophobicContact CD2-CB 3.44Å; L628-P649 VanDerWaalsContact CD2-CB 3.44Å; L628-P649 HydrophobicContact CD2-CG 3.91Å; L628-P649 HydrophobicContact CG-CB 3.9Å; L628-P649 HydrophobicContact CG-CG 4.07Å; E631-P649 WeakPolarHBondContact O-CG 3.4Å
650L90.1Very high74.8Confident105 Ų105103.6 Ų103.655%0.5553%0.528SS..EExtended strand (participates in β ladder)trans-106.9143.3179.9-61.9174.6000111.7I629I629-L650 PolarHBondContact N-O 2.92Å; I629-L650 PolarHBondContact O-N 3.2Å
651C90.4Very high73.8Confident15 Ų15106 Ų10610%0.10154%0.544CS..EExtended strand (participates in β ladder)trans-99.9123.3173.4-61.40000110.5E601 N602 C622 F626 E627E601-C651 WeakPolarHBondContact O-CB 3.18Å; N602-C651 HydrophobicContact CB-CB 4.31Å; C622-C651 WeakPolarHBondContact CA-SG 3.5Å; C622-C651 HydrophobicContact CB-CB 3.74Å; C622-C651 WeakPolarHBondContact CB-SG 3.33Å; C622-C651 VanDerWaalsContact SG-CA 3.51Å; C622-C651 WeakPolarHBondContact SG-CB 3.38Å; C622-C651 CovalentContact SG-SG 2.03Å; C622-C651 PolarHBondContact SG-SG 3.37Å; F626-C651 HydrophobicContact CB-CB 4.05Å; F626-C651 HydrophobicContact CD1-CB 4.43Å; E627-C651 WeakPolarHBondContact O-CA 3.44Å
652K86.1Confident72.3Confident122 Ų122113.3 Ų113.353%0.5356%0.562SS.*EExtended strand (participates in β ladder)trans-126.4148.3179-66.3-163.4-173178.40112.4F626 E627 I629 A654F626-K652 CarbonylContact C-O 3.59Å; F626-K652 WeakPolarHBondContact CA-O 3.42Å; E627-K652 PolarHBondContact N-O 3.06Å; E627-K652 PolarHBondContact O-N 2.83Å; I629-K652 HydrophobicContact CD1-CB 4.1Å; I629-K652 HydrophobicContact CD1-CD 3.77Å; I629-K652 HydrophobicContact CD1-CG 3.98Å; K652-A654 PolarHBondContact O-N 3.15Å
653V82.4Confident70Confident103 Ų103120.9 Ų120.962%0.62459%0.593SS**EExtended strand (participates in β ladder)trans-60.7132.5-178.3-1770000111F626 Y655F626-V653 HydrophobicContact CD1-CG2 4.05Å; F626-V653 HydrophobicContact CE1-CG2 3.61Å; F626-V653 HydrophobicContact CZ-CG2 4.19Å; V653-Y655 PolarHBondContact O-N 2.79Å
654A69.3Low67.9Low37 Ų37121.5 Ų121.531%0.30660%0.6SS.*SBendtrans-85.1-1.6-16900000116.1G625 E627 K652G625-A654 PolarHBondContact O-N 2.87Å; E627-A654 HydrophobicContact CG-CB 3.92Å; K652-A654 PolarHBondContact O-N 3.15Å
655Y60.9Low65.3Low207 Ų207127.3 Ų127.381%0.81263%0.629SS**  trans-138.772.9-166.5-80.4-75.6000114.8V653V653-Y655 PolarHBondContact O-N 2.79Å
656E54.6Low62.7Low195 Ų195130.5 Ų130.591%0.91165%0.648SS**  trans-142.280.9159.3-75.3-160.7146.900111.8
657E51.1Low60Low194 Ų194133.4 Ų133.491%0.90766%0.664SS**SBendtrans-1239.2167.4-146.9-177.2-143.500113
658L53.9Low57.2Low161 Ų161135 Ų13584%0.84367%0.672SS**SBendtrans-142.372.8-178.9-72.1175.4000111.8
659L49.8Very low54.6Low178 Ų178138.1 Ų138.193%0.93269%0.69SS**SBendtrans168.853.4144.7-91.9163.6000116.3
660D44.7Very low51.8Low137 Ų137145 Ų14573%0.73373%0.732SS**  trans-146.3107138.1-158.7-18.8000112.4R662D660-R662 VanDerWaalsContact OD1-C 3.24Å; D660-R662 PolarHBondContact OD1-N 3.32Å
661N44.9Very low49.1Very low164 Ų164146.9 Ų146.988%0.87774%0.742SS**  trans-137.142.1169.3-143.7-29.7000110.1
662R40.1Very low46.9Very low228 Ų228150.9 Ų150.986%0.8677%0.768SS**  trans178.1116.4167.4-105.2164178.7-172.91.1108.9D660D660-R662 VanDerWaalsContact OD1-C 3.24Å; D660-R662 PolarHBondContact OD1-N 3.32Å
663K33Very low44.3Very low170 Ų170149.3 Ų149.374%0.73977%0.772SS**  169.9130.662.7171.9-178.3171.6-174.10113.9
664L40.8Very low42.1Very low142 Ų142155.2 Ų155.274%0.74378%0.783SS**  trans70.1136.9156.3-72.9171.9000121.3
665E35.7Very low40.3Very low167 Ų167161.1 Ų161.178%0.7881%0.805SS**  trans-71.4150163.6-47.3133.6123.900111.4
666V37.3Very low39Very low147 Ų147156.9 Ų156.989%0.89180%0.795SS**  trans-139.6119.4136.8179.20000108.1
667T31.1Very low38.2Very low117 Ų117156 Ų15672%0.71879%0.791SS**  trans-81.8150.2170.449.10000110.8
668Q29.7Very low37.6Very low197 Ų197150.6 Ų150.692%0.92179%0.788SS**  trans-127.2130.3151.6-166.416617.400109.9
669T31.1Very low37Very low112 Ų112146.1 Ų146.169%0.68778%0.781SS**  trans-106.9141.2-167.351.90000112.6
670T31.7Very low37Very low147 Ų147144.5 Ų144.590%0.90277%0.773SS**  trans-144.698.8142.329.40000109.8
671D32.8Very low37.4Very low144 Ų144145.9 Ų145.977%0.7778%0.78SS**  trans-73.6172.7156.9-148.838.1000107.7
672P44.1Very low37.8Very low99 Ų99141.3 Ų141.364%0.64377%0.765SS**  cis-148.5168.417.346.1-26.6000120.7
673S31Very low38.5Very low89 Ų89136 Ų13662%0.62275%0.753SS**  118.3137.8121.6780000120.8
674R36.2Very low39.6Very low227 Ų227132 Ų13286%0.85775%0.752SS**  trans77.9109.6161.2-47.8-157.3-179.7-140.5-4.1116.1
675Q31.3Very low40.5Very low162 Ų162130.6 Ų130.676%0.75774%0.743SS**  cis94.6133.624-155.8-144.7-8.600114.5
676L33.6Very low41.6Very low117 Ų117128.2 Ų128.261%0.61374%0.736SS**  trans86.9124.4166.7-66.4162.2000120.1
677E37.9Very low42.7Very low176 Ų176127.5 Ų127.582%0.82273%0.726SS**  trans63147.2139.8-64.7161.1153.500120.4
678G39.5Very low44.2Very low81 Ų81125.6 Ų125.684%0.83572%0.715SS**  cis127.669.2-2.600000114
679G40.8Very low45.9Very low68 Ų68121.1 Ų121.170%0.70170%0.698SS**  trans-166.9128.8178.100000116.9
680N49.5Very low47.7Very low143 Ų143117.6 Ų117.677%0.76568%0.684SS**  trans56.562.4150.6-60.6-14.5000119.8A682N680-A682 PolarHBondContact O-N 3.48Å
681L53.6Low49.3Very low166 Ų166115.9 Ų115.987%0.86967%0.668SS**THydrogen-bonded Turntrans-72.712.6166-143.2109.2000114.6
682A52.6Low51.3Low68 Ų68113.9 Ų113.956%0.56266%0.661SS**THydrogen-bonded Turntrans-98.6-12.1-168.500000115.5N680N680-A682 PolarHBondContact O-N 3.48Å
683L56.3Low52.5Low118 Ų118115.1 Ų115.162%0.61866%0.661SS**SBendtrans-97.6-19.6-174.1-84.4163.7000114.8I685L683-I685 VanDerWaalsContact C-N 3.34Å; L683-I685 PolarHBondContact O-N 3.44Å
684A56.3Low54.4Low86 Ų86115.8 Ų115.871%0.71166%0.661SS**THydrogen-bonded Turntrans-74.1-20.2-17600000114.5
685I59.1Low56Low111 Ų111110.4 Ų110.457%0.56965%0.648SS**THydrogen-bonded Turntrans-103.8-26.6-171.7-60.2174.6000112.4L683 P688 L689L683-I685 VanDerWaalsContact C-N 3.34Å; L683-I685 PolarHBondContact O-N 3.44Å; I685-P688 WeakPolarHBondContact O-CD 3.48Å; I685-P688 WeakPolarHBondContact O-CG 3.48Å; I685-L689 HydrophobicContact CG2-CD1 4.38Å
686L58.5Low58Low118 Ų118104.9 Ų104.962%0.61864%0.635SS**Hα-helixtrans-81-28.8-174-65.7176.7000114.1G690L686-G690 PolarHBondContact O-N 3.29Å
687L60.3Low59.4Low132 Ų132102.2 Ų102.269%0.69163%0.626SS**Hα-helixtrans-62-49.3178.5-79166000114.4L689 G690 L691L687-L689 PolarHBondContact O-N 3.46Å; L687-G690 PolarHBondContact O-N 3.12Å; L687-L691 PolarHBondContact O-N 3.38Å
688P62.4Low60.9Low76 Ų7695.7 Ų95.749%0.49461%0.607SS.*Hα-helixtrans-65.8-36.3178.823.9-33.7000112.9I685 L691 V692I685-P688 WeakPolarHBondContact O-CD 3.48Å; I685-P688 WeakPolarHBondContact O-CG 3.48Å; P688-L691 PolarHBondContact O-N 3.21Å; P688-V692 PolarHBondContact O-N 3.5Å
689L66Low62.3Low104 Ų10496.5 Ų96.555%0.54560%0.595SS.*Hα-helixtrans-66.4-38.6179.9-72.6171000112.7I685 L687 L691 I693I685-L689 HydrophobicContact CG2-CD1 4.38Å; L687-L689 PolarHBondContact O-N 3.46Å; L689-L691 VanDerWaalsContact C-N 3.32Å; L689-L691 PolarHBondContact O-N 3.45Å; L689-I693 WeakPolarHBondContact O-CG1 3.1Å; L689-I693 PolarHBondContact O-N 3.12Å
690G67.8Low63.3Low38 Ų38101.5 Ų101.539%0.39259%0.594SS.*Hα-helixtrans-63-38.1175.400000113L686 L687 I693 V694L686-G690 PolarHBondContact O-N 3.29Å; L687-G690 PolarHBondContact O-N 3.12Å; G690-I693 PolarHBondContact O-N 3.19Å; G690-V694 WeakPolarHBondContact O-CG2 3.39Å; G690-V694 PolarHBondContact O-N 3.44Å
691L67Low63.8Low110 Ų110100.2 Ų100.258%0.57659%0.586SS**Hα-helixtrans-68.5-38.6-176.5-151.3157000111.8L687 P688 L689 I693 V694 L695L687-L691 PolarHBondContact O-N 3.38Å; P688-L691 PolarHBondContact O-N 3.21Å; L689-L691 VanDerWaalsContact C-N 3.32Å; L689-L691 PolarHBondContact O-N 3.45Å; L691-I693 VanDerWaalsContact C-N 3.34Å; L691-I693 PolarHBondContact O-N 3.28Å; L691-V694 PolarHBondContact O-N 2.68Å; L691-L695 HydrophobicContact CD2-CD1 3.58Å; L691-L695 HydrophobicContact CD2-CG 4.04Å; L691-L695 WeakPolarHBondContact O-CG 3.17Å; L691-L695 PolarHBondContact O-N 3.02Å; L691-L695 VanDerWaalsContact O-N 3.08Å
692V73.1Confident64.2Low103 Ų103100 Ų10062%0.62458%0.575SS**Hα-helixtrans-61.1-40.7174.3174.70000111.9P688 L695 G696P688-V692 PolarHBondContact O-N 3.5Å; V692-L695 PolarHBondContact O-N 2.82Å; V692-G696 PolarHBondContact O-N 3.36Å
693I69.2Low64.3Low125 Ų125105.5 Ų105.564%0.64158%0.582SS**Hα-helixtrans-69.1-37.5-179.2-65168.8000111.4L689 G690 L691 S697L689-I693 WeakPolarHBondContact O-CG1 3.1Å; L689-I693 PolarHBondContact O-N 3.12Å; G690-I693 PolarHBondContact O-N 3.19Å; L691-I693 VanDerWaalsContact C-N 3.34Å; L691-I693 PolarHBondContact O-N 3.28Å; I693-S697 WeakPolarHBondContact O-CB 3.22Å; I693-S697 PolarHBondContact O-N 3.22Å; I693-S697 VanDerWaalsContact O-N 3.15Å; I693-S697 PolarHBondContact O-OG 2.75Å
694V71.8Confident64.3Low103 Ų103104.1 Ų104.162%0.62458%0.579SS**Hα-helixtrans-68.1-41.7176.2173.90000111.6G690 L691 S697 G698G690-V694 WeakPolarHBondContact O-CG2 3.39Å; G690-V694 PolarHBondContact O-N 3.44Å; L691-V694 PolarHBondContact O-N 2.68Å; V694-S697 PolarHBondContact O-OG 3.43Å; V694-S697 VanDerWaalsContact O-OG 3.09Å; V694-G698 PolarHBondContact O-N 3.25Å
695L70.6Confident64Low113 Ų113108.9 Ų108.959%0.59258%0.583SS**Hα-helixtrans-69.2-42.6177.5-68.2177.5000112.3L691 V692 S697 G698 V699L691-L695 HydrophobicContact CD2-CD1 3.58Å; L691-L695 HydrophobicContact CD2-CG 4.04Å; L691-L695 WeakPolarHBondContact O-CG 3.17Å; L691-L695 PolarHBondContact O-N 3.02Å; L691-L695 VanDerWaalsContact O-N 3.08Å; V692-L695 PolarHBondContact O-N 2.82Å; L695-S697 PolarHBondContact O-N 3.49Å; L695-G698 PolarHBondContact O-N 2.64Å; L695-V699 PolarHBondContact O-N 3.47Å
696G72.3Confident63.7Low46 Ų46109.9 Ų109.947%0.47459%0.589SS.*Hα-helixtrans-62.2-39.2178.200000113.4V692 V699 Y700V692-G696 PolarHBondContact O-N 3.36Å; G696-V699 PolarHBondContact O-N 2.7Å; G696-Y700 PolarHBondContact O-N 3.05Å
697S62.5Low63.2Low61 Ų61112.6 Ų112.643%0.42760%0.599SS.*Hα-helixtrans-70.6-32.4176.849.90000113.2I693 V694 L695 Y700 I701I693-S697 WeakPolarHBondContact O-CB 3.22Å; I693-S697 PolarHBondContact O-N 3.22Å; I693-S697 VanDerWaalsContact O-N 3.15Å; I693-S697 PolarHBondContact O-OG 2.75Å; V694-S697 PolarHBondContact O-OG 3.43Å; V694-S697 VanDerWaalsContact O-OG 3.09Å; L695-S697 PolarHBondContact O-N 3.49Å; S697-Y700 PolarHBondContact O-N 3.41Å; S697-I701 WeakPolarHBondContact O-CG1 3.45Å; S697-I701 PolarHBondContact O-N 3.05Å
698G69.1Low62.7Low40 Ų40109.8 Ų109.841%0.41260%0.602SS.*Hα-helixtrans-61.4-45.3172.100000113.4V694 L695 Y700 I701 Y702V694-G698 PolarHBondContact O-N 3.25Å; L695-G698 PolarHBondContact O-N 2.64Å; G698-Y700 PolarHBondContact O-N 3.15Å; G698-I701 PolarHBondContact O-N 3.25Å; G698-Y702 PolarHBondContact O-N 3.12Å; G698-Y702 VanDerWaalsContact O-N 3.12Å
699V70.1Confident61.7Low97 Ų97116.3 Ų116.359%0.58862%0.622SS**Hα-helixtrans-63.8-40.2178.4176.20000111.7L695 G696 I701 Y702 Y703L695-V699 PolarHBondContact O-N 3.47Å; G696-V699 PolarHBondContact O-N 2.7Å; V699-I701 PolarHBondContact O-N 3.16Å; V699-Y702 PolarHBondContact O-N 3.46Å; V699-Y703 PolarHBondContact O-N 3.47Å
700Y61.5Low60.2Low173 Ų173116.9 Ų116.968%0.67864%0.635SS**Hα-helixtrans-63.9-38178.2-169.8-99.4000112.8G696 S697 G698 T704G696-Y700 PolarHBondContact O-N 3.05Å; S697-Y700 PolarHBondContact O-N 3.41Å; G698-Y700 PolarHBondContact O-N 3.15Å; Y700-T704 HydrophobicContact CD1-CG2 4.5Å; Y700-T704 HydrophobicContact CE1-CG2 4.2Å; Y700-T704 WeakPolarHBondContact O-CG2 3.41Å; Y700-T704 PolarHBondContact O-N 3.09Å; Y700-T704 VanDerWaalsContact O-N 3.15Å; Y700-T704 PolarHBondContact O-OG1 2.77Å
701I60.1Low59Low116 Ų116122.4 Ų122.460%0.59565%0.654SS**Hα-helixtrans-71.1-32.8176.3-67.9169.7000111.7S697 G698 V699 T704S697-I701 WeakPolarHBondContact O-CG1 3.45Å; S697-I701 PolarHBondContact O-N 3.05Å; G698-I701 PolarHBondContact O-N 3.25Å; V699-I701 PolarHBondContact O-N 3.16Å; I701-T704 WeakPolarHBondContact CA-OG1 3.49Å; I701-T704 PolarHBondContact O-OG1 3.35Å
702Y61.6Low57.5Low162 Ų162127.5 Ų127.564%0.63567%0.672SS**Hα-helixtrans-66.5-49.1173.9-173.5-99.3000111.6G698 V699 T704 K705G698-Y702 PolarHBondContact O-N 3.12Å; G698-Y702 VanDerWaalsContact O-N 3.12Å; V699-Y702 PolarHBondContact O-N 3.46Å; Y702-T704 PolarHBondContact O-N 3.35Å; Y702-K705 PolarHBondContact O-N 3.21Å; Y702-K705 VanDerWaalsContact O-N 3.16Å
703Y54.9Low55.5Low183 Ų183126.1 Ų126.172%0.71868%0.679SS**Hα-helixtrans-62.4-40.6-178.7-132.9-86.7000112.7V699 K705 L706V699-Y703 PolarHBondContact O-N 3.47Å; Y703-K705 PolarHBondContact O-N 3.47Å; Y703-L706 PolarHBondContact O-N 3.24Å
704T55.9Low53.6Low89 Ų89129.6 Ų129.655%0.54669%0.69SS.*Hα-helixtrans-73-6.6179.148.50000114.3Y700 I701 Y702Y700-T704 HydrophobicContact CD1-CG2 4.5Å; Y700-T704 HydrophobicContact CE1-CG2 4.2Å; Y700-T704 WeakPolarHBondContact O-CG2 3.41Å; Y700-T704 PolarHBondContact O-N 3.09Å; Y700-T704 VanDerWaalsContact O-N 3.15Å; Y700-T704 PolarHBondContact O-OG1 2.77Å; I701-T704 WeakPolarHBondContact CA-OG1 3.49Å; I701-T704 PolarHBondContact O-OG1 3.35Å; Y702-T704 PolarHBondContact O-N 3.35Å
705K50.9Low51.7Low186 Ų186130.6 Ų130.681%0.80970%0.701SS**Hα-helixtrans-100.5-10175.6-132.4-167.8-177.8-167.30115Y702 Y703Y702-K705 PolarHBondContact O-N 3.21Å; Y702-K705 VanDerWaalsContact O-N 3.16Å; Y703-K705 PolarHBondContact O-N 3.47Å
706L52.7Low49.9Very low132 Ų132128.3 Ų128.369%0.69171%0.705SS**Hα-helixtrans-90.4-24.9-178.7-122.679.2000114.2Y703Y703-L706 PolarHBondContact O-N 3.24Å
707Q47.5Very low47.9Very low176 Ų176131.1 Ų131.182%0.82272%0.717SS**SBendtrans-105.486.5175.7-70-156.7-8.400111.9K709Q707-K709 PolarHBondContact O-N 3.36Å
708G49.6Very low46.4Very low73 Ų73136.6 Ų136.675%0.75374%0.736SS**  trans-80.1105.917700000113.6
709K40.7Very low44.5Very low213 Ų213139.4 Ų139.493%0.92675%0.749SS**  trans-158.5148.5147.6-113157.8-170.91730112.9Q707Q707-K709 PolarHBondContact O-N 3.36Å
710S35.5Very low42.5Very low115 Ų115145.4 Ų145.480%0.80476%0.763SS**  trans-85152.5-175.6-171.40000112.5
711L42.7Very low41.3Very low154 Ų154141.6 Ų141.681%0.80676%0.762SS**  trans-69146.9158.5-69159.1000110.5
712F35.8Very low41.1Very low217 Ų217141.1 Ų141.195%0.95277%0.766SS**  trans134.5130.5158.7-85.8-69000113.1
713G29.9Very low39.8Very low74 Ų74140.3 Ų140.376%0.76377%0.771SS**  trans150.8136.3172.600000113
714F30Very low38.8Very low199 Ų199136.2 Ų136.287%0.87377%0.766SS**  trans-123.3150.5-176.4-97.3-94.5000112.1
715S32Very low37.5Very low123 Ų123138.6 Ų138.686%0.8678%0.78SS**  trans62.5154150.365.20000120.2
716G31.6Very low36.6Very low65 Ų65136.8 Ų136.867%0.6777%0.774SS**  trans173.6-17.9158.500000124.7
717S31.7Very low36Very low105 Ų105135 Ų13573%0.73477%0.773SS**  trans58.4165.1167.359.50000121.9
718H30.5Very low35.3Very low176 Ų176132.5 Ų132.582%0.81577%0.765SS**  trans70.4131175.4-58-83.8000117.1
719S29.7Very low34.4Very low100 Ų100137.8 Ų137.870%0.69977%0.768SS**  cis92.890.114.5-163.10000117.3
720Y28.7Very low34Very low222 Ų222133 Ų13387%0.87176%0.761SS**  -159.6173.5116.6-130.5-100.5000111.5
721S36.2Very low33.9Very low93 Ų93134.4 Ų134.465%0.6576%0.759SS**  trans-129.6-165.7-175.965.80000110.2
722P55.7Low34Very low106 Ų106132.2 Ų132.269%0.68876%0.755SS**  cis-129.6-166-19.631.5-10000111.9
723I33.8Very low33.7Very low146 Ų146128.6 Ų128.675%0.74974%0.744SS**  172.4132.8118.3-89.2166.1000112.8
724T32.7Very low33.8Very low97 Ų97136.4 Ų136.460%0.59575%0.752SS**  trans2.5150.3160.365.50000120.4
725V30.6Very low33.9Very low139 Ų139135.6 Ų135.684%0.84275%0.752SS**  -133.7144.555-176.20000115.2
726E31.2Very low34Very low147 Ų147135 Ų13569%0.68775%0.753SS**  trans-62.1168.6177.2-84.178.1175.900117.1
727S40Very low33.9Very low96 Ų96135.4 Ų135.467%0.67176%0.758SS**  trans-73177.3163.951.50000113.3
728D33.1Very low33.8Very low123 Ų123137 Ų13766%0.65876%0.759SS**  -178.6143.3111.6-95.44.2000115.3
729F30.8Very low33.9Very low184 Ų184134.3 Ų134.381%0.80776%0.755SS**  trans45.2153.6146.8-71.9-107.8000120.7
730S31.7Very low33.9Very low113 Ų113140.6 Ų140.679%0.7976%0.763SS**  cis-147.1167.921.4-50.50000112.3
731N34Very low34.3Very low143 Ų143138.1 Ų138.177%0.76576%0.759SS**  trans-127.2138.3170.4177.251.9000110.8
732P43.5Very low34Very low109 Ų109144.9 Ų144.971%0.70877%0.772SS**  trans-106118.5160.733.9-23.7000110.7
733L31.4Very low32.9Very low141 Ų141148 Ų14874%0.73878%0.778SS**  55.9109.780.8-86162.7000114.4
734Y31.2Very low32.9Very low237 Ų237147.9 Ų147.993%0.92978%0.783SS**  trans-138.2141.2150.1-116.3-89.2000108.6
735E31.8Very low32.9Very low183 Ų183147.5 Ų147.586%0.85579%0.785SS**  trans-92.5170.2-171.4-65.7-176.6110.500113.3
736A34.1Very low33.4Very low109 Ų109152.1 Ų152.190%0.90180%0.803SS**  trans-75.2149.9-178.200000113.1
737G30.2Very low33.5Very low75 Ų75152.4 Ų152.477%0.77381%0.808SS**  trans-14859-170.500000115.6
738D28.7Very low33.2Very low138 Ų138155.4 Ų155.474%0.73882%0.816SS**  trans67.2152.2166.2-156.118.7000118.5
739T32.6Very low33.2Very low120 Ų120157.2 Ų157.274%0.73682%0.824SS**  trans-117.9136.7-17448.60000111.6
740R30.4Very low33.3Very low232 Ų232155.6 Ų155.688%0.87583%0.825SS**  trans-136.5115158-66.5-168.2-177.4-164.1-0.9111.2
741E36.1Very low33.4Very low169 Ų169158.3 Ų158.379%0.7983%0.828SS**  trans-65.3150.3165.5-56.2166.4134.700109.5
742Y31.3Very low33.4Very low236 Ų236159.3 Ų159.393%0.92583%0.832SS**  -155.2122.8124.7-89.1-56.1000110.7
743E31.7Very low32.7Very low170 Ų170162.9 Ų162.979%0.79484%0.841SS**  trans-69.9137.5170.7164.2-169.4-132.400111.4
744V33.2Very low32.8Very low144 Ų144164.5 Ų164.587%0.87385%0.848SS**  trans-144.3120.3148.9178.80000109
745S33.2Very low32.9Very low90 Ų90158.5 Ų158.563%0.62984%0.842SS**  trans-77.3164.9170.341.20000111
746I41.6Very low33Very low236 Ų236156.3 Ų156.3100%1.2184%0.841SS**  cis-140.5039.8-62.2166000110.4

Retrieved 746 of 746 residues in 909.1 ms (Link to these results)