A0A087XE34_POEFO Loading...

Sushi, nidogen and EGF-like domains 1

AlphaFold DB , UniProt , Accession A0A087XE34, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 918 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.1Very low38.3Very low241 Ų241149.1 Ų149.1100%1.18782%0.819SS**  0146.90-77.1166.7163.900107.9
2N31.5Very low39.4Very low154 Ų154150.3 Ų150.382%0.82481%0.814SS**  trans8.8121.7167.3-55.57.8000118
3S33.4Very low40.8Very low110 Ų110143 Ų14377%0.76978%0.781SS**  76.4135.381.4-148.80000111.8
4T35.1Very low42.5Very low118 Ų118141.6 Ų141.672%0.72477%0.771SS**  cis-145.3161.432.4480000113.6
5D42.7Very low44.2Very low135 Ų135134.3 Ų134.372%0.72273%0.734SS**  trans40.1137.9152.2-105.8-56.1000122.3
6P39.1Very low45.5Very low129 Ų129131.4 Ų131.484%0.83871%0.714SS**  -144.8130115.335.1-20.2000114.7
7H44.7Very low46.8Very low180 Ų180127.2 Ų127.283%0.83369%0.691SS**  trans-128.567.2177.7-142-47.7000113.8
8N39.5Very low47.8Very low147 Ų147123.7 Ų123.779%0.78669%0.689SS**  trans-159.5116.8154-137.4-7.8000111.5
9Q38.2Very low49Very low190 Ų190117.9 Ų117.989%0.88866%0.661SS**  trans-130102.7167-85.7-171.9-32.900109.1
10T41.2Very low50.2Low119 Ų119116.8 Ų116.873%0.7366%0.656SS**  trans-62.9130163.243.50000109.2E12T10-E12 PolarHBondContact O-N 3.02Å; T10-E12 VanDerWaalsContact O-N 3.09Å
11V44.5Very low51.2Low117 Ų117113.4 Ų113.471%0.70964%0.64SS**  trans-70.6104.5174.6-179.70000108.7C13V11-C13 PolarHBondContact O-N 3.46Å
12E51.7Low52.8Low163 Ų163105.3 Ų105.376%0.76260%0.604SS**  trans-70.9120.6172.9-75.3-169.6131.600110.6T10 L14T10-E12 PolarHBondContact O-N 3.02Å; T10-E12 VanDerWaalsContact O-N 3.09Å; E12-L14 PolarHBondContact O-N 2.8Å
13C57.7Low54.1Low56 Ų56100.5 Ų100.538%0.37859%0.591SS.*  trans-78.2106.7172.2-68.40000110.7V11 C15 C21V11-C13 PolarHBondContact O-N 3.46Å; C13-C15 PolarHBondContact O-N 3.27Å; C13-C21 HydrophobicContact CB-CB 3.36Å; C13-C21 WeakPolarHBondContact CB-SG 3.45Å; C13-C21 WeakPolarHBondContact SG-CB 3.37Å; C13-C21 CovalentContact SG-SG 2.03Å; C13-C21 PolarHBondContact SG-SG 2.62Å
14L64.4Low55.1Low123 Ų123103.2 Ų103.264%0.64460%0.595SS**  trans-76.542.7180-70.2162.7000113.5E12 Q16E12-L14 PolarHBondContact O-N 2.8Å; L14-Q16 PolarHBondContact O-N 3.02Å
15C67.6Low56.1Low32 Ų32105 Ų10522%0.21660%0.6CS.*  trans-72.3123.6178.3-56.40000111.1C13 G19 C28C13-C15 PolarHBondContact O-N 3.27Å; C15-G19 VanDerWaalsContact CB-O 3.29Å; C15-G19 WeakPolarHBondContact CB-O 3.38Å; C15-C28 WeakPolarHBondContact CA-SG 3.44Å; C15-C28 HydrophobicContact CB-CB 3.89Å; C15-C28 WeakPolarHBondContact CB-SG 3.26Å; C15-C28 WeakPolarHBondContact SG-CB 3.31Å; C15-C28 CovalentContact SG-SG 2.04Å; C15-C28 PolarHBondContact SG-SG 3.34Å
16Q66.3Low56.9Low89 Ų8999.4 Ų99.442%0.41657%0.574SS.*  trans-95.6172.9178.6-56.6-174.9-2.700111L14 G18 G19 Y38 C39 Q40L14-Q16 PolarHBondContact O-N 3.02Å; Q16-G18 PolarHBondContact O-N 3.37Å; Q16-G19 PolarHBondContact O-N 3.03Å; Q16-Y38 WeakPolarHBondContact CB-O 3.42Å; Q16-Y38 PolarHBondContact N-O 3.39Å; Q16-C39 WeakPolarHBondContact O-CB 3.45Å; Q16-Q40 VanDerWaalsContact OE1-CB 3.27Å
17N66.3Low57.8Low60 Ų6097.2 Ų97.232%0.32156%0.558SS.*THydrogen-bonded Turntrans50.431.4169.3-60-39.6000115.8P31 Y34 C39 T73N17-P31 WeakPolarHBondContact O-CG 3.37Å; N17-Y34 HydrophobicContact CB-CD1 3.58Å; N17-Y34 HydrophobicContact CB-CE1 3.74Å; N17-Y34 HydrophobicContact CB-CG 4.07Å; N17-C39 PolarHBondContact ND2-O 2.82Å; N17-T73 PolarHBondContact ND2-OG1 2.97Å
18G66.4Low59.2Low64 Ų6489.7 Ų89.766%0.6653%0.525SS*.THydrogen-bonded Turntrans81.215.1178.700000115.5Q16Q16-G18 PolarHBondContact O-N 3.37Å
19G70.6Confident60.8Low14 Ų1489 Ų8914%0.14452%0.517CS..PPolyproline II helixtrans-65.4141.217300000113.4C15 Q16 E29C15-G19 VanDerWaalsContact CB-O 3.29Å; C15-G19 WeakPolarHBondContact CB-O 3.38Å; Q16-G19 PolarHBondContact O-N 3.03Å; G19-E29 CarbonylContact C-O 3.57Å; G19-E29 WeakPolarHBondContact CA-O 3.49Å
20V72.5Confident62.7Low95 Ų9581.9 Ų81.958%0.57649%0.489SS*.EExtended strand (participates in β ladder)trans-99.3135.1178.8-179.70000109.3C28 E29V20-C28 CarbonylContact O-C 3.43Å; V20-C28 WeakPolarHBondContact O-CA 3.37Å; V20-E29 PolarHBondContact N-O 3.2Å; V20-E29 PolarHBondContact O-N 3.44Å
21C70.4Confident64.2Low45 Ų4578.3 Ų78.330%0.30447%0.467SS..EExtended strand (participates in β ladder)trans-82.6128.5-179.2-157.10000112.1C13C13-C21 HydrophobicContact CB-CB 3.36Å; C13-C21 WeakPolarHBondContact CB-SG 3.45Å; C13-C21 WeakPolarHBondContact SG-CB 3.37Å; C13-C21 CovalentContact SG-SG 2.03Å; C13-C21 PolarHBondContact SG-SG 2.62Å
22V65.7Low65.2Low72 Ų7278.4 Ų78.444%0.43647%0.471SS..  trans-124.9100.4-175.9-172.20000109.9T27 E29V22-T27 PolarHBondContact N-O 3.22Å; V22-T27 PolarHBondContact O-OG1 2.79Å; V22-E29 HydrophobicContact CG2-CB 4.04Å; V22-E29 HydrophobicContact CG2-CG 3.82Å
23G57.5Low66Low53 Ų5372 Ų7255%0.54645%0.447SS..SBendtrans95.1165.7172.500000115.7N25 G26G23-N25 PolarHBondContact O-N 3.2Å; G23-N25 VanDerWaalsContact O-N 3.14Å; G23-G26 PolarHBondContact O-N 3.24Å
24I55.3Low66.7Low166 Ų16671.8 Ų71.885%0.85144%0.439SS*.THydrogen-bonded Turntrans-67.2-17.2-168.2-55167.3000112.7G26I24-G26 VanDerWaalsContact C-N 3.33Å; I24-G26 PolarHBondContact O-N 3.17Å
25N56.3Low67Low156 Ų15667.9 Ų67.983%0.83442%0.42SS*.THydrogen-bonded Turntrans-867.3-179.2-70.2-3.1000114.5G23 T27G23-N25 PolarHBondContact O-N 3.2Å; G23-N25 VanDerWaalsContact O-N 3.14Å; N25-T27 PolarHBondContact O-N 3.14Å
26G58.4Low67.1Low17 Ų1767.5 Ų67.518%0.17542%0.422CS..  trans73.323.3175.800000115.1G23 I24G23-G26 PolarHBondContact O-N 3.24Å; I24-G26 VanDerWaalsContact C-N 3.33Å; I24-G26 PolarHBondContact O-N 3.17Å
27T59.7Low67.2Low84 Ų8466.6 Ų66.652%0.51543%0.43SS..PPolyproline II helixtrans-77.2133.3177.911.60000112.1V22 N25V22-T27 PolarHBondContact N-O 3.22Å; V22-T27 PolarHBondContact O-OG1 2.79Å; N25-T27 PolarHBondContact O-N 3.14Å
28C73.2Confident67.5Low21 Ų2169.1 Ų69.114%0.14244%0.436CS..EExtended strand (participates in β ladder)trans-101.4129.7178.4-54.30000112.2C15 V20C15-C28 WeakPolarHBondContact CA-SG 3.44Å; C15-C28 HydrophobicContact CB-CB 3.89Å; C15-C28 WeakPolarHBondContact CB-SG 3.26Å; C15-C28 WeakPolarHBondContact SG-CB 3.31Å; C15-C28 CovalentContact SG-SG 2.04Å; C15-C28 PolarHBondContact SG-SG 3.34Å; V20-C28 CarbonylContact O-C 3.43Å; V20-C28 WeakPolarHBondContact O-CA 3.37Å
29E74Confident67.8Low132 Ų13266 Ų6662%0.61740%0.404SS*.EExtended strand (participates in β ladder)trans-79.4125.9158.4-92.3-168.713400109.3G19 V20 V22G19-E29 CarbonylContact C-O 3.57Å; G19-E29 WeakPolarHBondContact CA-O 3.49Å; V20-E29 PolarHBondContact N-O 3.2Å; V20-E29 PolarHBondContact O-N 3.44Å; V22-E29 HydrophobicContact CG2-CB 4.04Å; V22-E29 HydrophobicContact CG2-CG 3.82Å
30C76.3Confident67.8Low42 Ų4267.5 Ų67.528%0.28441%0.407SS..PPolyproline II helixtrans-98.5137.8-177.6-540000112Y34 C39C30-Y34 WeakPolarHBondContact CB-O 3.38Å; C30-C39 WeakPolarHBondContact CA-SG 3.46Å; C30-C39 HydrophobicContact CB-CB 3.85Å; C30-C39 WeakPolarHBondContact CB-SG 3.26Å; C30-C39 WeakPolarHBondContact SG-CA 3.37Å; C30-C39 WeakPolarHBondContact SG-CB 3.31Å; C30-C39 CovalentContact SG-SG 2.04Å; C30-C39 PolarHBondContact SG-SG 3.39Å
31P72.7Confident67.9Low43 Ų4364.6 Ų64.628%0.27939%0.388SS..PPolyproline II helixtrans-66160.3173.527.3-33.7000111.9N17 G33 Y34N17-P31 WeakPolarHBondContact O-CG 3.37Å; P31-G33 PolarHBondContact O-N 3.49Å; P31-Y34 HydrophobicContact CG-CD2 4.06Å; P31-Y34 PolarHBondContact O-N 2.77Å; P31-Y34 VanDerWaalsContact O-N 3.13Å
32P66.9Low67.9Low120 Ų12062.7 Ų62.778%0.77938%0.376SS*.THydrogen-bonded Turntrans-53.9128.3-178.5-26.335000112.6
33G67.7Low68Low27 Ų2760.8 Ų60.828%0.27836%0.363SS..THydrogen-bonded Turntrans97.4-0.4-176.400000115.4P31 I43P31-G33 PolarHBondContact O-N 3.49Å; G33-I43 WeakPolarHBondContact O-CB 3.37Å; G33-I43 WeakPolarHBondContact O-CG1 3.32Å; G33-I43 PolarHBondContact O-N 2.92Å
34Y73.3Confident68.5Low53 Ų5359.5 Ų59.521%0.20835%0.345CS..EExtended strand (participates in β ladder)trans-127.1153.2176.1-62-88.2000112.3N17 C30 P31 L41N17-Y34 HydrophobicContact CB-CD1 3.58Å; N17-Y34 HydrophobicContact CB-CE1 3.74Å; N17-Y34 HydrophobicContact CB-CG 4.07Å; C30-Y34 WeakPolarHBondContact CB-O 3.38Å; P31-Y34 HydrophobicContact CG-CD2 4.06Å; P31-Y34 PolarHBondContact O-N 2.77Å; P31-Y34 VanDerWaalsContact O-N 3.13Å; Y34-L41 WeakPolarHBondContact CA-O 3.32Å
35T70.8Confident68.9Low40 Ų4059.9 Ų59.925%0.24534%0.343CS..EExtended strand (participates in β ladder)trans-154.1178.2-178.6-168.40000112.1C39 Q40 L41 I43 T70T35-C39 CarbonylContact O-C 3.31Å; T35-C39 VanDerWaalsContact O-C 3.3Å; T35-C39 WeakPolarHBondContact O-CA 3.19Å; T35-Q40 PolarHBondContact O-N 2.77Å; T35-L41 HydrophobicContact CG2-CB 3.93Å; T35-L41 PolarHBondContact N-O 2.85Å; T35-L41 WeakPolarHBondContact O-CB 3.49Å; T35-L41 PolarHBondContact O-N 2.92Å; T35-L41 VanDerWaalsContact O-N 3.08Å; T35-I43 HydrophobicContact CG2-CD1 4.23Å; T35-I43 HydrophobicContact CG2-CG1 3.86Å; T35-T70 HydrophobicContact CG2-CG2 4.05Å
36G69.1Low69.2Low25 Ų2555.6 Ų55.626%0.25832%0.322SS..SBendtrans94159.8-174.100000113Y38 C39G36-Y38 PolarHBondContact O-N 3.36Å; G36-C39 PolarHBondContact O-N 2.87Å
37A67.5Low69.4Low69 Ų6960.9 Ų60.957%0.5735%0.346SS*.THydrogen-bonded Turntrans-57.7-24.2-17200000115
38Y74.4Confident69.8Low113 Ų11357.4 Ų57.444%0.44333%0.325SS..THydrogen-bonded Turntrans-122.919.1177.6-55.4-64.7000111.8Q16 G36 Q40Q16-Y38 WeakPolarHBondContact CB-O 3.42Å; Q16-Y38 PolarHBondContact N-O 3.39Å; G36-Y38 PolarHBondContact O-N 3.36Å; Y38-Q40 PolarHBondContact O-N 2.76Å
39C72.3Confident69.2Low0 Ų058.6 Ų58.60%033%0.333CS..SBendtrans57.525.8-173.7-48.40000114.6Q16 N17 C30 T35 G36 L41Q16-C39 WeakPolarHBondContact O-CB 3.45Å; N17-C39 PolarHBondContact ND2-O 2.82Å; C30-C39 WeakPolarHBondContact CA-SG 3.46Å; C30-C39 HydrophobicContact CB-CB 3.85Å; C30-C39 WeakPolarHBondContact CB-SG 3.26Å; C30-C39 WeakPolarHBondContact SG-CA 3.37Å; C30-C39 WeakPolarHBondContact SG-CB 3.31Å; C30-C39 CovalentContact SG-SG 2.04Å; C30-C39 PolarHBondContact SG-SG 3.39Å; T35-C39 CarbonylContact O-C 3.31Å; T35-C39 VanDerWaalsContact O-C 3.3Å; T35-C39 WeakPolarHBondContact O-CA 3.19Å; G36-C39 PolarHBondContact O-N 2.87Å; C39-L41 VanDerWaalsContact C-N 3.28Å; C39-L41 PolarHBondContact O-N 2.93Å
40Q70.1Confident68.3Low45 Ų4560.9 Ų60.921%0.2135%0.35CS..  trans-837.5-17378-80.828.800115.1Q16 T35 Y38 H72Q16-Q40 VanDerWaalsContact OE1-CB 3.27Å; T35-Q40 PolarHBondContact O-N 2.77Å; Y38-Q40 PolarHBondContact O-N 2.76Å; Q40-H72 PolarHBondContact O-ND1 3.13Å
41L74.4Confident66.9Low34 Ų3464.1 Ų64.118%0.17837%0.373CS..EExtended strand (participates in β ladder)trans-123.9123.6177.8-60.6173.5000110.2Y34 T35 C39 C71 H72Y34-L41 WeakPolarHBondContact CA-O 3.32Å; T35-L41 HydrophobicContact CG2-CB 3.93Å; T35-L41 PolarHBondContact N-O 2.85Å; T35-L41 WeakPolarHBondContact O-CB 3.49Å; T35-L41 PolarHBondContact O-N 2.92Å; T35-L41 VanDerWaalsContact O-N 3.08Å; C39-L41 VanDerWaalsContact C-N 3.28Å; C39-L41 PolarHBondContact O-N 2.93Å; L41-C71 WeakPolarHBondContact CA-O 3.47Å; L41-H72 HydrophobicContact CD2-CB 4.24Å
42G70.1Confident66.1Low5 Ų571 Ų715%0.05239%0.393CS..EExtended strand (participates in β ladder)trans-81142168.800000110.9T70 C71G42-T70 CarbonylContact O-C 3.34Å; G42-T70 WeakPolarHBondContact O-CA 3.3Å; G42-T70 WeakPolarHBondContact O-CB 3.3Å; G42-C71 PolarHBondContact N-O 3.27Å; G42-C71 PolarHBondContact O-N 2.94Å
43I68.8Low65.7Low32 Ų3271.3 Ų71.316%0.16439%0.394CS..EExtended strand (participates in β ladder)trans-96.6124.4178.4-53.9171.7000108.6G33 T35 Y63 L68G33-I43 WeakPolarHBondContact O-CB 3.37Å; G33-I43 WeakPolarHBondContact O-CG1 3.32Å; G33-I43 PolarHBondContact O-N 2.92Å; T35-I43 HydrophobicContact CG2-CD1 4.23Å; T35-I43 HydrophobicContact CG2-CG1 3.86Å; I43-Y63 HydrophobicContact CD1-CD1 3.79Å; I43-Y63 HydrophobicContact CD1-CD2 3.51Å; I43-Y63 HydrophobicContact CD1-CE1 3.66Å; I43-Y63 HydrophobicContact CD1-CE2 3.37Å; I43-Y63 HydrophobicContact CD1-CG 3.7Å; I43-Y63 VanDerWaalsContact CD1-CZ 3.43Å; I43-L68 HydrophobicContact CG2-CB 4.13Å; I43-L68 HydrophobicContact CG2-CD1 3.86Å
44T67.8Low65.4Low25 Ų2570.2 Ų70.215%0.15338%0.382CS..EExtended strand (participates in β ladder)trans-91.7162.9177.6830000111.6T46 C69T44-T46 PolarHBondContact O-N 2.89Å; T44-T46 WeakPolarHBondContact OG1-CB 3.35Å; T44-T46 PolarHBondContact OG1-N 3.05Å; T44-T46 VanDerWaalsContact OG1-N 3.08Å; T44-T46 PolarHBondContact OG1-OG1 2.64Å; T44-C69 PolarHBondContact N-O 2.91Å; T44-C69 PolarHBondContact OG1-O 3.23Å
45Q63.4Low64.4Low174 Ų17472.6 Ų72.681%0.81340%0.404SS*.EExtended strand (participates in β ladder)trans-76.712170.4-61.4-178.5-1.700112.9
46T62.3Low63.5Low66 Ų6674.8 Ų74.841%0.40541%0.414SS..EExtended strand (participates in β ladder)trans-94.2110-170.9-35.60000111.2T44 L68 C69T44-T46 PolarHBondContact O-N 2.89Å; T44-T46 WeakPolarHBondContact OG1-CB 3.35Å; T44-T46 PolarHBondContact OG1-N 3.05Å; T44-T46 VanDerWaalsContact OG1-N 3.08Å; T44-T46 PolarHBondContact OG1-OG1 2.64Å; T46-L68 WeakPolarHBondContact O-CA 3.41Å; T46-C69 PolarHBondContact O-N 2.88Å
47L62.8Low62.8Low129 Ų12976.8 Ų76.868%0.67543%0.434SS*.EExtended strand (participates in β ladder)trans-66.5132.4176.6-73.1159.3000112.3A66 Y67 L68L47-A66 HydrophobicContact CD2-CB 4.14Å; L47-Y67 WeakPolarHBondContact CA-O 3.45Å; L47-L68 HydrophobicContact CD2-CD2 4.06Å; L47-L68 HydrophobicContact CG-CD2 4.26Å
48C67.3Low62.4Low10 Ų1075 Ų757%0.06842%0.417CS..  trans-131.6166.3-179.657.80000112.2R52 C60 Y67 L68C48-R52 WeakPolarHBondContact CA-O 3.33Å; C48-R52 WeakPolarHBondContact CB-O 3.24Å; C48-C60 HydrophobicContact CB-CB 3.85Å; C48-C60 WeakPolarHBondContact CB-SG 3.21Å; C48-C60 VanDerWaalsContact SG-CA 3.53Å; C48-C60 WeakPolarHBondContact SG-CB 3.39Å; C48-C60 CovalentContact SG-SG 2.03Å; C48-C60 PolarHBondContact SG-SG 2.8Å; C48-Y67 PolarHBondContact N-O 2.8Å; C48-Y67 VanDerWaalsContact O-CB 3.27Å; C48-Y67 WeakPolarHBondContact O-CB 3.4Å; C48-Y67 VanDerWaalsContact SG-C 3.55Å; C48-L68 PolarHBondContact SG-O 2.89Å
49S61.7Low61.6Low46 Ų4673.2 Ų73.232%0.32242%0.42SS..BIsolated β-bridgetrans-163175.3177.475.60000111.6S51 R52S49-S51 PolarHBondContact O-N 2.9Å; S49-S51 PolarHBondContact OG-N 3.08Å; S49-S51 PolarHBondContact OG-OG 3.31Å; S49-R52 PolarHBondContact N-O 3.24Å; S49-R52 CarbonylContact O-C 3.39Å; S49-R52 PolarHBondContact O-N 2.9Å; S49-R52 VanDerWaalsContact O-O 3.05Å; S49-R52 PolarHBondContact OG-N 3.18Å
50N53.8Low61.7Low180 Ų18075.3 Ų75.396%0.96343%0.434SS*.THydrogen-bonded Turntrans-58-12.3172.6-70.6-2.8000114.7
51S48.7Very low61.6Low110 Ų11076.7 Ų76.777%0.76944%0.442SS*.THydrogen-bonded Turntrans-114.23.1173.359.30000114S49S49-S51 PolarHBondContact O-N 2.9Å; S49-S51 PolarHBondContact OG-N 3.08Å; S49-S51 PolarHBondContact OG-OG 3.31Å
52R55.2Low61.3Low187 Ų18780.6 Ų80.671%0.70646%0.46SS*.BIsolated β-bridgetrans-142.790.7175.3-70.6-170.2177.5-170.40.1110.3C48 S49C48-R52 WeakPolarHBondContact CA-O 3.33Å; C48-R52 WeakPolarHBondContact CB-O 3.24Å; S49-R52 PolarHBondContact N-O 3.24Å; S49-R52 CarbonylContact O-C 3.39Å; S49-R52 PolarHBondContact O-N 2.9Å; S49-R52 VanDerWaalsContact O-O 3.05Å; S49-R52 PolarHBondContact OG-N 3.18Å
53T58.8Low60.8Low128 Ų12885 Ų8579%0.78548%0.475SS*.  trans-66.3154.4171.350.60000111.6
54C60.1Low60.1Low4 Ų487.6 Ų87.63%0.02751%0.51CS..  trans-64.7145.7176.5-62.10000111.6D56 G57 S58 C69C54-D56 VanDerWaalsContact C-N 3.26Å; C54-D56 PolarHBondContact O-N 2.84Å; C54-G57 PolarHBondContact O-N 3.12Å; C54-S58 WeakPolarHBondContact CB-O 3.47Å; C54-S58 PolarHBondContact SG-O 3.1Å; C54-C69 WeakPolarHBondContact CA-SG 3.48Å; C54-C69 HydrophobicContact CB-CB 3.91Å; C54-C69 WeakPolarHBondContact CB-SG 3.4Å; C54-C69 WeakPolarHBondContact SG-CA 3.31Å; C54-C69 WeakPolarHBondContact SG-CB 3.36Å; C54-C69 CovalentContact SG-SG 2.03Å; C54-C69 PolarHBondContact SG-SG 2.82Å
55P52.2Low59.6Low103 Ų10389.6 Ų89.667%0.66954%0.535SS*.THydrogen-bonded Turntrans-57.4-35.1-172-27.535.8000114.8
56D51.7Low59.5Low86 Ų8683 Ų8346%0.4651%0.511SS..THydrogen-bonded Turntrans-96.29.2-177.9-51.2-29000112.8C54 S58 Y885C54-D56 VanDerWaalsContact C-N 3.26Å; C54-D56 PolarHBondContact O-N 2.84Å; D56-S58 VanDerWaalsContact C-N 3.31Å; D56-S58 PolarHBondContact O-N 2.99Å; D56-Y885 WeakPolarHBondContact OD2-CE1 3.35Å; D56-Y885 PolarHBondContact OD2-OH 3.37Å
57G56.3Low60Low67 Ų6785.4 Ų85.469%0.69151%0.513SS*.SBendtrans80.43.8-176.600000115.5C54C54-G57 PolarHBondContact O-N 3.12Å
58S57.3Low60.6Low30 Ų3080.6 Ų80.621%0.2149%0.488CS..PPolyproline II helixtrans-61.4156.6-179.6-6.40000114.2C54 D56 T70C54-S58 WeakPolarHBondContact CB-O 3.47Å; C54-S58 PolarHBondContact SG-O 3.1Å; D56-S58 VanDerWaalsContact C-N 3.31Å; D56-S58 PolarHBondContact O-N 2.99Å; S58-T70 WeakPolarHBondContact CB-O 3.13Å; S58-T70 PolarHBondContact OG-O 2.78Å
59P59.1Low60.9Low77 Ų7780.4 Ų80.450%0.549%0.487SS..PPolyproline II helixtrans-69.2136.2177.426.2-30.1000112.5T70P59-T70 PolarHBondContact O-N 3Å; P59-T70 PolarHBondContact O-OG1 3.36Å
60C73.2Confident61.2Low43 Ų4378.4 Ų78.429%0.29147%0.472SS..EExtended strand (participates in β ladder)trans-89.2125.1172.7-179.80000109C48C48-C60 HydrophobicContact CB-CB 3.85Å; C48-C60 WeakPolarHBondContact CB-SG 3.21Å; C48-C60 VanDerWaalsContact SG-CA 3.53Å; C48-C60 WeakPolarHBondContact SG-CB 3.39Å; C48-C60 CovalentContact SG-SG 2.03Å; C48-C60 PolarHBondContact SG-SG 2.8Å
61L68Low61.9Low75 Ų7570.9 Ų70.939%0.39343%0.434SS..EExtended strand (participates in β ladder)trans-132.9149.7-175.4-67.9174.8000111.3L68 T70L61-L68 PolarHBondContact N-O 2.87Å; L61-L68 PolarHBondContact O-N 2.79Å; L61-T70 HydrophobicContact CD1-CG2 4.11Å
62E68.4Low62.4Low116 Ų11671.9 Ų71.954%0.54243%0.426SS..EExtended strand (participates in β ladder)trans-83.2127.2178.2-164.4179.814700110.7A66 Y67E62-A66 WeakPolarHBondContact CA-O 3.25Å; E62-Y67 HydrophobicContact CB-CD1 4.38Å; E62-Y67 HydrophobicContact CB-CD2 4.38Å; E62-Y67 HydrophobicContact CB-CE1 4.05Å; E62-Y67 HydrophobicContact CB-CE2 4Å; E62-Y67 HydrophobicContact CG-CD2 4.09Å; E62-Y67 HydrophobicContact CG-CE2 3.69Å; E62-Y67 WeakPolarHBondContact OE2-CE2 3.3Å; E62-Y67 PolarHBondContact OE2-OH 2.83Å
63Y59.4Low62.6Low97 Ų9765.1 Ų65.138%0.3841%0.406SS..EExtended strand (participates in β ladder)trans-144.6128.5177.1-167-97.9000110I43 G65 A66I43-Y63 HydrophobicContact CD1-CD1 3.79Å; I43-Y63 HydrophobicContact CD1-CD2 3.51Å; I43-Y63 HydrophobicContact CD1-CE1 3.66Å; I43-Y63 HydrophobicContact CD1-CE2 3.37Å; I43-Y63 HydrophobicContact CD1-CG 3.7Å; I43-Y63 VanDerWaalsContact CD1-CZ 3.43Å; Y63-G65 PolarHBondContact O-N 2.89Å; Y63-G65 VanDerWaalsContact O-N 3.14Å; Y63-A66 PolarHBondContact N-O 2.98Å; Y63-A66 PolarHBondContact O-N 2.86Å; Y63-A66 VanDerWaalsContact O-N 3.08Å; Y63-A66 VanDerWaalsContact O-O 3.1Å
64G55.6Low62.1Low87 Ų8762 Ų6290%0.89740%0.398SS*.THydrogen-bonded Turntrans60.920.5-179.800000115.4
65G57.1Low61Low66 Ų6668.7 Ų68.768%0.6844%0.439SS*.THydrogen-bonded Turntrans85.610.8-175.700000115.1Y63Y63-G65 PolarHBondContact O-N 2.89Å; Y63-G65 VanDerWaalsContact O-N 3.14Å
66A60.2Low60.4Low35 Ų3572.8 Ų72.829%0.28945%0.449SS..EExtended strand (participates in β ladder)trans-126147.7172.400000111.4L47 E62 Y63 L68L47-A66 HydrophobicContact CD2-CB 4.14Å; E62-A66 WeakPolarHBondContact CA-O 3.25Å; Y63-A66 PolarHBondContact N-O 2.98Å; Y63-A66 PolarHBondContact O-N 2.86Å; Y63-A66 VanDerWaalsContact O-N 3.08Å; Y63-A66 VanDerWaalsContact O-O 3.1Å; A66-L68 HydrophobicContact CB-CG 4.44Å
67Y73.9Confident59.8Low117 Ų11775 Ų7546%0.45947%0.468SS..EExtended strand (participates in β ladder)trans-87.7114.4174.7-79.5-102000109.6L47 C48 E62L47-Y67 WeakPolarHBondContact CA-O 3.45Å; C48-Y67 PolarHBondContact N-O 2.8Å; C48-Y67 VanDerWaalsContact O-CB 3.27Å; C48-Y67 WeakPolarHBondContact O-CB 3.4Å; C48-Y67 VanDerWaalsContact SG-C 3.55Å; E62-Y67 HydrophobicContact CB-CD1 4.38Å; E62-Y67 HydrophobicContact CB-CD2 4.38Å; E62-Y67 HydrophobicContact CB-CE1 4.05Å; E62-Y67 HydrophobicContact CB-CE2 4Å; E62-Y67 HydrophobicContact CG-CD2 4.09Å; E62-Y67 HydrophobicContact CG-CE2 3.69Å; E62-Y67 WeakPolarHBondContact OE2-CE2 3.3Å; E62-Y67 PolarHBondContact OE2-OH 2.83Å
68L74Confident58.7Low28 Ų2878.3 Ų78.315%0.14747%0.47CS..EExtended strand (participates in β ladder)trans-124.5147.9-173.3-64.6174.9000111.6I43 T46 L47 C48 L61 A66I43-L68 HydrophobicContact CG2-CB 4.13Å; I43-L68 HydrophobicContact CG2-CD1 3.86Å; T46-L68 WeakPolarHBondContact O-CA 3.41Å; L47-L68 HydrophobicContact CD2-CD2 4.06Å; L47-L68 HydrophobicContact CG-CD2 4.26Å; C48-L68 PolarHBondContact SG-O 2.89Å; L61-L68 PolarHBondContact N-O 2.87Å; L61-L68 PolarHBondContact O-N 2.79Å; A66-L68 HydrophobicContact CB-CG 4.44Å
69C75.3Confident57.7Low6 Ų684.6 Ų84.64%0.04150%0.496CS..EExtended strand (participates in β ladder)trans-72.3148.9173.3-69.90000111.6T44 T46 C54T44-C69 PolarHBondContact N-O 2.91Å; T44-C69 PolarHBondContact OG1-O 3.23Å; T46-C69 PolarHBondContact O-N 2.88Å; C54-C69 WeakPolarHBondContact CA-SG 3.48Å; C54-C69 HydrophobicContact CB-CB 3.91Å; C54-C69 WeakPolarHBondContact CB-SG 3.4Å; C54-C69 WeakPolarHBondContact SG-CA 3.31Å; C54-C69 WeakPolarHBondContact SG-CB 3.36Å; C54-C69 CovalentContact SG-SG 2.03Å; C54-C69 PolarHBondContact SG-SG 2.82Å
70T67.9Low56.4Low4 Ų487.5 Ų87.53%0.02551%0.505CS..EExtended strand (participates in β ladder)trans-117.6155.7172.656.90000111.6T35 G42 S58 P59 L61T35-T70 HydrophobicContact CG2-CG2 4.05Å; G42-T70 CarbonylContact O-C 3.34Å; G42-T70 WeakPolarHBondContact O-CA 3.3Å; G42-T70 WeakPolarHBondContact O-CB 3.3Å; S58-T70 WeakPolarHBondContact CB-O 3.13Å; S58-T70 PolarHBondContact OG-O 2.78Å; P59-T70 PolarHBondContact O-N 3Å; P59-T70 PolarHBondContact O-OG1 3.36Å; L61-T70 HydrophobicContact CD1-CG2 4.11Å
71C66.8Low54.4Low22 Ų2291.2 Ų91.215%0.14952%0.522CS..EExtended strand (participates in β ladder)trans-131.9149.2173.960.30000111L41 G42L41-C71 WeakPolarHBondContact CA-O 3.47Å; G42-C71 PolarHBondContact N-O 3.27Å; G42-C71 PolarHBondContact O-N 2.94Å
72H59.2Low52.7Low132 Ų13297 Ų9761%0.61154%0.544SS*.EExtended strand (participates in β ladder)trans-96.6138.7-178.3-167.238.3000111Q40 L41Q40-H72 PolarHBondContact O-ND1 3.13Å; L41-H72 HydrophobicContact CD2-CB 4.24Å
73T59.6Low51.2Low45 Ų45101.8 Ų101.828%0.27656%0.558SS.*  trans-103.468.9-172.352.90000111.6N17 W878N17-T73 PolarHBondContact ND2-OG1 2.97Å; T73-W878 HydrophobicContact CG2-CZ2 4.44Å
74G48.4Very low50.3Low61 Ų61102.3 Ų102.363%0.62957%0.574SS**  trans-164.1119.9-176.700000116.8
75V38.4Very low49.2Very low146 Ų146104.6 Ų104.689%0.88557%0.57SS**  trans-42.8146.7177.2179.60000118
76E38Very low48.5Very low188 Ų188108.7 Ų108.788%0.87957%0.571SS**  trans-81.9149.2169.3-63.6177.6124.400114.3
77P40.7Very low47.5Very low133 Ų133112.7 Ų112.786%0.86460%0.595SS**  trans-113.7172.6159.529.2-12.8000114.4
78D32.8Very low46.6Very low137 Ų137115.2 Ų115.273%0.73361%0.611SS**  trans-116.4177.4-153.3-154.3-35.2000114.4
79H36.9Very low45.9Very low161 Ų161115.4 Ų115.475%0.74561%0.614SS**  trans79.4155.7161.1-68.914.3000120.9
80M31.3Very low45.2Very low139 Ų139118.1 Ų118.169%0.68563%0.631SS**  cis-168.9151.9-35.2-110.3-53.6-121.700111
81D30.9Very low45.1Very low121 Ų121119.1 Ų119.165%0.64764%0.638SS**  trans65.6157.8151-70.5-37.4000126.1
82F31.2Very low44.7Very low197 Ų197122.7 Ų122.786%0.86466%0.655SS**  trans89.1126.5166.3-76.4-84.4000123
83Y37.1Very low44.9Very low215 Ų215120.5 Ų120.584%0.84366%0.655SS**  trans-121169.2165.8-86.5-79.9000107.1
84P40.3Very low45.1Very low109 Ų109122.8 Ų122.871%0.70867%0.672SS**  cis-151.8-178.331.745.1-24000119.3
85V34Very low46.3Very low135 Ų135120.8 Ų120.882%0.81865%0.648SS**  trans69.2135.1164.2-165.70000118.4
86Q41.8Very low48.1Very low151 Ų151114.6 Ų114.671%0.70661%0.611SS**PPolyproline II helixtrans-83146.9-179.1-62.6175.5-74.300113.9
87P39.3Very low49.5Very low120 Ų120110.1 Ų110.178%0.77959%0.593SS**PPolyproline II helix-82143.4122.134.3-27.9000109.9S89P87-S89 PolarHBondContact O-N 3.14Å
88Q55.7Low50.6Low169 Ų169107.6 Ų107.679%0.7957%0.572SS**PPolyproline II helixtrans-67.4131.7172.1-71.9-172.7-68.400110
89S57.8Low52.1Low32 Ų32103.2 Ų103.222%0.22456%0.56CS.*PPolyproline II helixtrans-76138.5176.31770000109.2P87 C91 D92 E104P87-S89 PolarHBondContact O-N 3.14Å; S89-C91 PolarHBondContact O-N 2.79Å; S89-C91 WeakPolarHBondContact OG-CB 3.06Å; S89-C91 PolarHBondContact OG-N 2.97Å; S89-D92 PolarHBondContact N-OD2 2.83Å; S89-D92 VanDerWaalsContact O-CB 3.29Å; S89-D92 WeakPolarHBondContact O-CB 3.07Å; S89-D92 PolarHBondContact O-N 2.99Å; S89-E104 WeakPolarHBondContact CB-OE2 3.32Å; S89-E104 PolarHBondContact OG-OE1 3.16Å; S89-E104 PolarHBondContact OG-OE2 3.08Å
90V60.5Low53.8Low64 Ų6496.2 Ų96.239%0.38853%0.531SS..G310 helixtrans-63.2-25.2173.7-167.50000110.4D92 S93 E104 Y109V90-D92 VanDerWaalsContact C-N 3.34Å; V90-D92 PolarHBondContact O-N 3.26Å; V90-S93 PolarHBondContact O-N 3.15Å; V90-S93 PolarHBondContact O-OG 3.34Å; V90-E104 PolarHBondContact N-OE1 3.04Å; V90-Y109 HydrophobicContact CB-CD1 4.23Å; V90-Y109 HydrophobicContact CG1-CD1 3.41Å; V90-Y109 VanDerWaalsContact CG1-CD1 3.41Å; V90-Y109 HydrophobicContact CG1-CE1 3.85Å; V90-Y109 HydrophobicContact CG1-CG 4.3Å
91C66.7Low56Low25 Ų2595.5 Ų95.517%0.16952%0.522CS..G310 helixtrans-71.9-17.9173.2-69.80000114.5S89 S93 S94 C102S89-C91 PolarHBondContact O-N 2.79Å; S89-C91 WeakPolarHBondContact OG-CB 3.06Å; S89-C91 PolarHBondContact OG-N 2.97Å; C91-S93 PolarHBondContact O-N 3.21Å; C91-S94 PolarHBondContact O-N 2.95Å; C91-C102 VanDerWaalsContact CA-SG 3.51Å; C91-C102 HydrophobicContact CB-CB 3.7Å; C91-C102 WeakPolarHBondContact CB-SG 3.5Å; C91-C102 VanDerWaalsContact SG-C 3.52Å; C91-C102 WeakPolarHBondContact SG-CB 3.38Å; C91-C102 CovalentContact SG-SG 2.04Å; C91-C102 PolarHBondContact SG-SG 2.92Å
92D58.7Low58.4Low96 Ų9691.5 Ų91.551%0.51350%0.503SS..G310 helixtrans-59.3-28.6174.3-71.3-38000111.4S89 V90 S94S89-D92 PolarHBondContact N-OD2 2.83Å; S89-D92 VanDerWaalsContact O-CB 3.29Å; S89-D92 WeakPolarHBondContact O-CB 3.07Å; S89-D92 PolarHBondContact O-N 2.99Å; V90-D92 VanDerWaalsContact C-N 3.34Å; V90-D92 PolarHBondContact O-N 3.26Å; D92-S94 PolarHBondContact O-N 3.18Å; D92-S94 VanDerWaalsContact O-N 3.13Å
93S63.2Low60.5Low86 Ų8687.5 Ų87.560%0.60148%0.483SS*.G310 helixtrans-69-2.3174.771.50000114.5V90 C91 P95V90-S93 PolarHBondContact O-N 3.15Å; V90-S93 PolarHBondContact O-OG 3.34Å; C91-S93 PolarHBondContact O-N 3.21Å; S93-P95 WeakPolarHBondContact OG-CD 3.49Å
94S63.5Low62Low93 Ų9382 Ų8265%0.6546%0.464SS*.  trans50.751-175.2-58.70000114.3C91 D92 C96C91-S94 PolarHBondContact O-N 2.95Å; D92-S94 PolarHBondContact O-N 3.18Å; D92-S94 VanDerWaalsContact O-N 3.13Å; S94-C96 PolarHBondContact O-N 3.35Å; S94-C96 VanDerWaalsContact O-N 3.12Å
95P73.3Confident63.1Low19 Ų1985.6 Ų85.612%0.12346%0.464CS..  trans-81.79.7-168.337.8-39.4000114.5S93 Y109 H121S93-P95 WeakPolarHBondContact OG-CD 3.49Å; P95-Y109 HydrophobicContact CB-CD2 4.11Å; P95-Y109 HydrophobicContact CB-CE1 4.33Å; P95-Y109 HydrophobicContact CB-CE2 3.44Å; P95-Y109 VanDerWaalsContact CB-CE2 3.44Å; P95-Y109 HydrophobicContact CG-CD1 4.44Å; P95-Y109 HydrophobicContact CG-CD2 3.55Å; P95-Y109 HydrophobicContact CG-CE1 4.32Å; P95-Y109 HydrophobicContact CG-CE2 3.43Å; P95-Y109 VanDerWaalsContact CG-CE2 3.43Å; P95-Y109 HydrophobicContact CG-CG 4.06Å; P95-H121 PolarHBondContact O-ND1 3.46Å; P95-H121 VanDerWaalsContact O-ND1 3.16Å
96C76.1Confident63.9Low16 Ų1687.5 Ų87.511%0.10847%0.47CS..  trans-111.1115.1176.7-55.80000109.4S94 C102 C111S94-C96 PolarHBondContact O-N 3.35Å; S94-C96 VanDerWaalsContact O-N 3.12Å; C96-C102 HydrophobicContact CB-CB 4.49Å; C96-C102 WeakPolarHBondContact SG-CB 3.36Å; C96-C111 WeakPolarHBondContact CA-SG 3.47Å; C96-C111 HydrophobicContact CB-CB 3.73Å; C96-C111 WeakPolarHBondContact CB-SG 3.41Å; C96-C111 WeakPolarHBondContact SG-CA 3.41Å; C96-C111 WeakPolarHBondContact SG-CB 3.49Å; C96-C111 CovalentContact SG-SG 2.03Å; C96-C111 PolarHBondContact SG-SG 2.79Å
97L67.5Low64.7Low94 Ų9484.7 Ų84.749%0.49248%0.481SS..  trans-81.8171-175.8-55.5176.5000111.5G99 G100 H121 C122 E123L97-G99 PolarHBondContact O-N 3.07Å; L97-G100 PolarHBondContact O-N 3.49Å; L97-G100 VanDerWaalsContact O-N 3.11Å; L97-H121 VanDerWaalsContact CB-O 3.27Å; L97-H121 WeakPolarHBondContact CB-O 3.31Å; L97-H121 PolarHBondContact N-O 2.89Å; L97-C122 WeakPolarHBondContact O-CB 3.48Å; L97-E123 HydrophobicContact CD1-CB 4.15Å
98N64.4Low65.8Low81 Ų8180.3 Ų80.343%0.43346%0.458SS..THydrogen-bonded Turntrans55.622.2171.2-58.2-46.2000115.8Y117 C122N98-Y117 HydrophobicContact CB-CD1 3.45Å; N98-Y117 VanDerWaalsContact CB-CD1 3.45Å; N98-Y117 HydrophobicContact CB-CD2 4.26Å; N98-Y117 HydrophobicContact CB-CE1 3.54Å; N98-Y117 HydrophobicContact CB-CE2 4.35Å; N98-Y117 HydrophobicContact CB-CG 3.84Å; N98-Y117 VanDerWaalsContact CG-CE1 3.5Å; N98-Y117 WeakPolarHBondContact ND2-CD1 3.24Å; N98-C122 PolarHBondContact ND2-O 2.75Å
99G63.3Low66.8Low45 Ų4575.6 Ų75.646%0.46443%0.433SS..THydrogen-bonded Turntrans76.229-18000000114.2L97L97-G99 PolarHBondContact O-N 3.07Å
100G74Confident67.6Low14 Ų1477.9 Ų77.914%0.14445%0.446CS..PPolyproline II helixtrans-72.6150163.100000112.2L97 E112L97-G100 PolarHBondContact O-N 3.49Å; L97-G100 VanDerWaalsContact O-N 3.11Å; G100-E112 CarbonylContact C-O 3.52Å; G100-E112 WeakPolarHBondContact CA-O 3.2Å
101Y76.4Confident68.5Low124 Ų12475.6 Ų75.649%0.48643%0.432SS..EExtended strand (participates in β ladder)trans-86.7140178.9-63.7-86.3000110.3C111 E112 R114Y101-C111 CarbonylContact O-C 3.53Å; Y101-C111 WeakPolarHBondContact O-CA 3.07Å; Y101-E112 PolarHBondContact N-O 2.88Å; Y101-E112 PolarHBondContact O-N 3.49Å; Y101-R114 PolarHBondContact OH-NH2 2.87Å
102C80.6Confident69.1Low37 Ų3780 Ų8025%0.2545%0.45CS..EExtended strand (participates in β ladder)trans-103.4130.9-177.3-168.90000110.5C91 C96C91-C102 VanDerWaalsContact CA-SG 3.51Å; C91-C102 HydrophobicContact CB-CB 3.7Å; C91-C102 WeakPolarHBondContact CB-SG 3.5Å; C91-C102 VanDerWaalsContact SG-C 3.52Å; C91-C102 WeakPolarHBondContact SG-CB 3.38Å; C91-C102 CovalentContact SG-SG 2.04Å; C91-C102 PolarHBondContact SG-SG 2.92Å; C96-C102 HydrophobicContact CB-CB 4.49Å; C96-C102 WeakPolarHBondContact SG-CB 3.36Å
103Y76.2Confident69.9Low113 Ų11377.2 Ų77.244%0.44344%0.438SS..EExtended strand (participates in β ladder)trans-129130.3178.5-60.4-81.9000110.2Y109 T110 E112Y103-Y109 CarbonylContact O-C 3.43Å; Y103-Y109 WeakPolarHBondContact O-CA 3.42Å; Y103-T110 PolarHBondContact N-O 3.02Å; Y103-T110 PolarHBondContact O-N 3.12Å; Y103-E112 HydrophobicContact CD2-CB 4.28Å; Y103-E112 HydrophobicContact CE2-CB 3.77Å; Y103-E112 WeakPolarHBondContact CE2-OE2 3.45Å
104E68.3Low70Confident98 Ų9880 Ų8046%0.45844%0.436SS..EExtended strand (participates in β ladder)trans-83.9142.9173-66-173.7109.500111.5S89 V90 G108S89-E104 WeakPolarHBondContact CB-OE2 3.32Å; S89-E104 PolarHBondContact OG-OE1 3.16Å; S89-E104 PolarHBondContact OG-OE2 3.08Å; V90-E104 PolarHBondContact N-OE1 3.04Å; E104-G108 WeakPolarHBondContact CA-O 3.24Å
105R63.1Low69.5Low186 Ų18687 Ų8770%0.70245%0.449SS*.EExtended strand (participates in β ladder)trans-148.9129.6169.5-70.8-168.2-179.9-160.10.8109.1G107 G108R105-G107 PolarHBondContact O-N 2.92Å; R105-G107 VanDerWaalsContact O-N 3.13Å; R105-G108 PolarHBondContact N-O 2.96Å; R105-G108 CarbonylContact O-C 3.58Å; R105-G108 PolarHBondContact O-N 3.04Å; R105-G108 VanDerWaalsContact O-O 3.04Å
106D50.8Low68.7Low175 Ų17587.9 Ų87.994%0.93646%0.462SS*.THydrogen-bonded Turntrans37.859.5161.5-52.9-34.3000115.4
107G58.3Low68.2Low91 Ų9191.3 Ų91.394%0.93847%0.473SS*.THydrogen-bonded Turntrans857.9176.500000115.8R105R105-G107 PolarHBondContact O-N 2.92Å; R105-G107 VanDerWaalsContact O-N 3.13Å
108G64.3Low68Low29 Ų2989.1 Ų89.130%0.29947%0.466SS..EExtended strand (participates in β ladder)trans-152.6-172175.400000114.1E104 R105E104-G108 WeakPolarHBondContact CA-O 3.24Å; R105-G108 PolarHBondContact N-O 2.96Å; R105-G108 CarbonylContact O-C 3.58Å; R105-G108 PolarHBondContact O-N 3.04Å; R105-G108 VanDerWaalsContact O-O 3.04Å
109Y75.1Confident68.1Low70 Ų7086.9 Ų86.928%0.27546%0.462SS..EExtended strand (participates in β ladder)trans-127.3152.2179.967.6-85.2000112.1V90 P95 Y103 H121V90-Y109 HydrophobicContact CB-CD1 4.23Å; V90-Y109 HydrophobicContact CG1-CD1 3.41Å; V90-Y109 VanDerWaalsContact CG1-CD1 3.41Å; V90-Y109 HydrophobicContact CG1-CE1 3.85Å; V90-Y109 HydrophobicContact CG1-CG 4.3Å; P95-Y109 HydrophobicContact CB-CD2 4.11Å; P95-Y109 HydrophobicContact CB-CE1 4.33Å; P95-Y109 HydrophobicContact CB-CE2 3.44Å; P95-Y109 VanDerWaalsContact CB-CE2 3.44Å; P95-Y109 HydrophobicContact CG-CD1 4.44Å; P95-Y109 HydrophobicContact CG-CD2 3.55Å; P95-Y109 HydrophobicContact CG-CE1 4.32Å; P95-Y109 HydrophobicContact CG-CE2 3.43Å; P95-Y109 VanDerWaalsContact CG-CE2 3.43Å; P95-Y109 HydrophobicContact CG-CG 4.06Å; Y103-Y109 CarbonylContact O-C 3.43Å; Y103-Y109 WeakPolarHBondContact O-CA 3.42Å; Y109-H121 AromaticContact CE2-CE1 3.59Å; Y109-H121 AromaticContact CE2-ND1 3.61Å; Y109-H121 AromaticContact CZ-CE1 3.66Å; Y109-H121 AromaticContact CZ-ND1 3.99Å; Y109-H121 PolarHBondContact OH-CE1 2.95Å; Y109-H121 PolarHBondContact OH-ND1 3.01Å
110T75.2Confident68.5Low79 Ų7992 Ų9249%0.48547%0.471SS..EExtended strand (participates in β ladder)trans-128.9135.4178-58.10000109.2Y103Y103-T110 PolarHBondContact N-O 3.02Å; Y103-T110 PolarHBondContact O-N 3.12Å
111C79.9Confident68.6Low16 Ų1693.8 Ų93.811%0.10848%0.475CS..EExtended strand (participates in β ladder)trans-102124.6177.5-620000111.2C96 Y101 K120C96-C111 WeakPolarHBondContact CA-SG 3.47Å; C96-C111 HydrophobicContact CB-CB 3.73Å; C96-C111 WeakPolarHBondContact CB-SG 3.41Å; C96-C111 WeakPolarHBondContact SG-CA 3.41Å; C96-C111 WeakPolarHBondContact SG-CB 3.49Å; C96-C111 CovalentContact SG-SG 2.03Å; C96-C111 PolarHBondContact SG-SG 2.79Å; Y101-C111 CarbonylContact O-C 3.53Å; Y101-C111 WeakPolarHBondContact O-CA 3.07Å; C111-K120 WeakPolarHBondContact CB-O 3.17Å
112E78.6Confident68.5Low117 Ų11787.9 Ų87.955%0.54745%0.452SS..EExtended strand (participates in β ladder)trans-93.2119168.2-171.4175.2179.600109.9G100 Y101 Y103G100-E112 CarbonylContact C-O 3.52Å; G100-E112 WeakPolarHBondContact CA-O 3.2Å; Y101-E112 PolarHBondContact N-O 2.88Å; Y101-E112 PolarHBondContact O-N 3.49Å; Y103-E112 HydrophobicContact CD2-CB 4.28Å; Y103-E112 HydrophobicContact CE2-CB 3.77Å; Y103-E112 WeakPolarHBondContact CE2-OE2 3.45Å
113C75.2Confident68Low38 Ų3889.6 Ų89.626%0.25746%0.457SS..PPolyproline II helixtrans-92.9131.7-170.3-54.30000112.5Y117 C122C113-Y117 WeakPolarHBondContact CB-O 3.43Å; C113-C122 WeakPolarHBondContact CA-SG 3.47Å; C113-C122 HydrophobicContact CB-CB 3.78Å; C113-C122 WeakPolarHBondContact CB-SG 3.33Å; C113-C122 WeakPolarHBondContact SG-CA 3.4Å; C113-C122 WeakPolarHBondContact SG-CB 3.49Å; C113-C122 CovalentContact SG-SG 2.04Å; C113-C122 PolarHBondContact SG-SG 3.32Å
114R65.3Low67.1Low145 Ų14590.3 Ų90.355%0.54746%0.462SS..PPolyproline II helixtrans-56.9147.3168.8-88.5-176.7171.8-164.2-2.4111.2Y101 G116 Y117Y101-R114 PolarHBondContact OH-NH2 2.87Å; R114-G116 PolarHBondContact O-N 2.86Å; R114-Y117 PolarHBondContact O-N 3.02Å
115Y52.7Low66.3Low239 Ų23990 Ų9094%0.93747%0.467SS*.THydrogen-bonded Turntrans-45.3126.2176.2-73.3-84.8000112
116G56.8Low65.6Low38 Ų3890.7 Ų90.739%0.39247%0.469SS..THydrogen-bonded Turntrans100.3-11.7-174.300000114.9R114 R126R114-G116 PolarHBondContact O-N 2.86Å; G116-R126 PolarHBondContact O-N 2.86Å
117Y66.6Low65.4Low89 Ų8989.9 Ų89.935%0.34946%0.464SS..EExtended strand (participates in β ladder)trans-119.6153.7178.1-57.4-87.5000111.8N98 C113 R114 K124 V125N98-Y117 HydrophobicContact CB-CD1 3.45Å; N98-Y117 VanDerWaalsContact CB-CD1 3.45Å; N98-Y117 HydrophobicContact CB-CD2 4.26Å; N98-Y117 HydrophobicContact CB-CE1 3.54Å; N98-Y117 HydrophobicContact CB-CE2 4.35Å; N98-Y117 HydrophobicContact CB-CG 3.84Å; N98-Y117 VanDerWaalsContact CG-CE1 3.5Å; N98-Y117 WeakPolarHBondContact ND2-CD1 3.24Å; C113-Y117 WeakPolarHBondContact CB-O 3.43Å; R114-Y117 PolarHBondContact O-N 3.02Å; Y117-K124 CarbonylContact C-O 3.51Å; Y117-V125 HydrophobicContact CD1-CG2 4.11Å; Y117-V125 HydrophobicContact CE1-CG2 3.87Å
118S63.7Low65.2Low48 Ų4889.5 Ų89.534%0.33644%0.44SS..EExtended strand (participates in β ladder)trans-158.3170.4-175.7600000111.4C122 E123 K124S118-C122 CarbonylContact O-C 3.48Å; S118-C122 VanDerWaalsContact O-C 3.29Å; S118-C122 WeakPolarHBondContact O-CA 3.24Å; S118-E123 PolarHBondContact O-N 2.91Å; S118-K124 PolarHBondContact N-O 2.99Å; S118-K124 WeakPolarHBondContact O-CA 3.22Å; S118-K124 WeakPolarHBondContact O-CB 3.3Å; S118-K124 PolarHBondContact O-N 2.86Å; S118-K124 PolarHBondContact OG-O 3.48Å; S118-K124 VanDerWaalsContact OG-O 3.06Å
119G65.3Low65Low33 Ų3390.5 Ų90.534%0.3444%0.441SS..SBendtrans101.9171.7-175.200000112.8H121 C122 E123G119-H121 PolarHBondContact O-N 2.91Å; G119-C122 PolarHBondContact O-N 2.8Å; G119-E123 VanDerWaalsContact CA-OE1 3.29Å; G119-E123 WeakPolarHBondContact CA-OE1 3.2Å; G119-E123 WeakPolarHBondContact CA-OE2 3.23Å
120K71.6Confident64.4Low153 Ų15388.1 Ų88.167%0.66544%0.435SS*.THydrogen-bonded Turntrans-67-25-170.9-170.5-178.7176.3-172.40112.7C111 E123C111-K120 WeakPolarHBondContact CB-O 3.17Å; K120-E123 PolarHBondContact N-OE1 2.82Å; K120-E123 PolarHBondContact N-OE2 2.97Å
121H76.9Confident63.4Low51 Ų5188.4 Ų88.424%0.23645%0.445CS..THydrogen-bonded Turntrans-123.719.6-179.2-54.5-70.6000111.1P95 L97 Y109 G119 E123P95-H121 PolarHBondContact O-ND1 3.46Å; P95-H121 VanDerWaalsContact O-ND1 3.16Å; L97-H121 VanDerWaalsContact CB-O 3.27Å; L97-H121 WeakPolarHBondContact CB-O 3.31Å; L97-H121 PolarHBondContact N-O 2.89Å; Y109-H121 AromaticContact CE2-CE1 3.59Å; Y109-H121 AromaticContact CE2-ND1 3.61Å; Y109-H121 AromaticContact CZ-CE1 3.66Å; Y109-H121 AromaticContact CZ-ND1 3.99Å; Y109-H121 PolarHBondContact OH-CE1 2.95Å; Y109-H121 PolarHBondContact OH-ND1 3.01Å; G119-H121 PolarHBondContact O-N 2.91Å; H121-E123 WeakPolarHBondContact CA-OE2 3.25Å; H121-E123 PolarHBondContact N-OE2 3.04Å; H121-E123 PolarHBondContact O-N 2.98Å
122C74.8Confident62.5Low0 Ų091.6 Ų91.60%047%0.467CS..SBendtrans57.428.5-172.8-50.40000113.9L97 N98 C113 S118 G119 K124L97-C122 WeakPolarHBondContact O-CB 3.48Å; N98-C122 PolarHBondContact ND2-O 2.75Å; C113-C122 WeakPolarHBondContact CA-SG 3.47Å; C113-C122 HydrophobicContact CB-CB 3.78Å; C113-C122 WeakPolarHBondContact CB-SG 3.33Å; C113-C122 WeakPolarHBondContact SG-CA 3.4Å; C113-C122 WeakPolarHBondContact SG-CB 3.49Å; C113-C122 CovalentContact SG-SG 2.04Å; C113-C122 PolarHBondContact SG-SG 3.32Å; S118-C122 CarbonylContact O-C 3.48Å; S118-C122 VanDerWaalsContact O-C 3.29Å; S118-C122 WeakPolarHBondContact O-CA 3.24Å; G119-C122 PolarHBondContact O-N 2.8Å; C122-K124 PolarHBondContact O-N 2.81Å
123E69.4Low61.6Low74 Ų7490.9 Ų90.935%0.34648%0.475SS..  trans-77.1-17.7-171.274.4-70.3169.100114.5L97 S118 G119 K120 H121L97-E123 HydrophobicContact CD1-CB 4.15Å; S118-E123 PolarHBondContact O-N 2.91Å; G119-E123 VanDerWaalsContact CA-OE1 3.29Å; G119-E123 WeakPolarHBondContact CA-OE1 3.2Å; G119-E123 WeakPolarHBondContact CA-OE2 3.23Å; K120-E123 PolarHBondContact N-OE1 2.82Å; K120-E123 PolarHBondContact N-OE2 2.97Å; H121-E123 WeakPolarHBondContact CA-OE2 3.25Å; H121-E123 PolarHBondContact N-OE2 3.04Å; H121-E123 PolarHBondContact O-N 2.98Å
124K58.3Low61.5Low127 Ų12790.2 Ų90.255%0.55247%0.47SS*.EExtended strand (participates in β ladder)trans-105.1112.8-173.8-53.3-179-176.3173.70111.3Y117 S118 C122Y117-K124 CarbonylContact C-O 3.51Å; S118-K124 PolarHBondContact N-O 2.99Å; S118-K124 WeakPolarHBondContact O-CA 3.22Å; S118-K124 WeakPolarHBondContact O-CB 3.3Å; S118-K124 PolarHBondContact O-N 2.86Å; S118-K124 PolarHBondContact OG-O 3.48Å; S118-K124 VanDerWaalsContact OG-O 3.06Å; C122-K124 PolarHBondContact O-N 2.81Å
125V51.4Low62Low91 Ų9184.3 Ų84.355%0.55245%0.451SS*.EExtended strand (participates in β ladder)trans-74125.8173.7-173.20000110Y117Y117-V125 HydrophobicContact CD1-CG2 4.11Å; Y117-V125 HydrophobicContact CE1-CG2 3.87Å
126R48.5Very low63Low202 Ų20281.5 Ų81.576%0.76244%0.439SS*.  trans-96.192.7169.2-168.7173-172142.72.8108.3G116 N128G116-R126 PolarHBondContact O-N 2.86Å; R126-N128 PolarHBondContact O-N 2.89Å
127L46Very low63.2Low158 Ų15883.6 Ų83.683%0.82744%0.441SS*.  trans-54.8118.6179.4-83.1160.8000110.8
128N52.9Low63.3Low82 Ų8282.5 Ų82.544%0.43946%0.457SS..  trans-84.8120.2176.9-176.9-50000109.7R126 C130 A131 E143R126-N128 PolarHBondContact O-N 2.89Å; N128-C130 PolarHBondContact O-N 3.28Å; N128-C130 WeakPolarHBondContact OD1-CA 3.34Å; N128-C130 VanDerWaalsContact OD1-CB 3.28Å; N128-C130 WeakPolarHBondContact OD1-CB 3.29Å; N128-C130 PolarHBondContact OD1-N 2.97Å; N128-A131 VanDerWaalsContact O-CB 3.28Å; N128-A131 WeakPolarHBondContact O-CB 3.39Å; N128-A131 PolarHBondContact O-N 2.8Å; N128-A131 VanDerWaalsContact O-N 3.09Å; N128-E143 PolarHBondContact ND2-OE2 2.81Å
129T61Low63.8Low50 Ų5080.9 Ų80.931%0.30745%0.447SS..G310 helixtrans-61.7-27.8-174.4-31.30000112.9A131 S132 E143 Y148T129-A131 VanDerWaalsContact C-N 3.33Å; T129-A131 PolarHBondContact O-N 2.89Å; T129-S132 PolarHBondContact O-OG 3.49Å; T129-E143 WeakPolarHBondContact CB-OE1 3.42Å; T129-E143 PolarHBondContact N-OE1 3.12Å; T129-E143 PolarHBondContact OG1-OE1 3.09Å; T129-Y148 HydrophobicContact CG2-CD1 3.65Å; T129-Y148 HydrophobicContact CG2-CE1 4.48Å; T129-Y148 HydrophobicContact CG2-CG 4.45Å
130C62.6Low64.3Low21 Ų2182.9 Ų82.914%0.14246%0.457CS..G310 helixtrans-77.8-9.9178.1-74.40000114.6N128 S132 S133 C141 K142N128-C130 PolarHBondContact O-N 3.28Å; N128-C130 WeakPolarHBondContact OD1-CA 3.34Å; N128-C130 VanDerWaalsContact OD1-CB 3.28Å; N128-C130 WeakPolarHBondContact OD1-CB 3.29Å; N128-C130 PolarHBondContact OD1-N 2.97Å; C130-S132 PolarHBondContact O-N 3.06Å; C130-S133 PolarHBondContact O-N 2.9Å; C130-C141 WeakPolarHBondContact CA-SG 3.44Å; C130-C141 HydrophobicContact CB-CB 3.58Å; C130-C141 WeakPolarHBondContact CB-SG 3.45Å; C130-C141 WeakPolarHBondContact SG-CB 3.18Å; C130-C141 CovalentContact SG-SG 2.03Å; C130-C141 PolarHBondContact SG-SG 3.45Å; C130-K142 PolarHBondContact SG-N 2.95Å; C130-K142 VanDerWaalsContact SG-N 3.43Å
131A54.9Low64.7Low85 Ų8577.3 Ų77.370%0.70244%0.436SS*.G310 helixtrans-62.3-14177.500000113.8N128 T129 S133N128-A131 VanDerWaalsContact O-CB 3.28Å; N128-A131 WeakPolarHBondContact O-CB 3.39Å; N128-A131 PolarHBondContact O-N 2.8Å; N128-A131 VanDerWaalsContact O-N 3.09Å; T129-A131 VanDerWaalsContact C-N 3.33Å; T129-A131 PolarHBondContact O-N 2.89Å; A131-S133 VanDerWaalsContact C-N 3.3Å
132S59.9Low64.7Low83 Ų8381.1 Ų81.158%0.5845%0.452SS*.G310 helixtrans-81.61.317559.40000114.7T129 C130T129-S132 PolarHBondContact O-OG 3.49Å; C130-S132 PolarHBondContact O-N 3.06Å
133S59.3Low64.3Low102 Ų10285.1 Ų85.171%0.71347%0.471SS*.  trans46.649.9-174.8-64.10000114.7C130 A131 C135C130-S133 PolarHBondContact O-N 2.9Å; A131-S133 VanDerWaalsContact C-N 3.3Å; S133-C135 PolarHBondContact O-N 3.25Å
134P73.8Confident63.7Low23 Ų2387.1 Ų87.115%0.14948%0.48CS..  trans-81.220.2-166.337.4-39.4000114.5Y148 H160P134-Y148 HydrophobicContact CB-CD2 4.08Å; P134-Y148 HydrophobicContact CB-CE1 4.37Å; P134-Y148 HydrophobicContact CB-CE2 3.44Å; P134-Y148 VanDerWaalsContact CB-CE2 3.44Å; P134-Y148 HydrophobicContact CG-CD1 4.38Å; P134-Y148 HydrophobicContact CG-CD2 3.42Å; P134-Y148 VanDerWaalsContact CG-CD2 3.42Å; P134-Y148 HydrophobicContact CG-CE1 4.29Å; P134-Y148 HydrophobicContact CG-CE2 3.34Å; P134-Y148 HydrophobicContact CG-CG 3.95Å; P134-H160 PolarHBondContact O-ND1 3.22Å
135C76.2Confident63.5Low22 Ų2285.5 Ų85.515%0.14950%0.499CS..  trans-124.1130.5-174.5-55.40000110.2S133 G139 C141 C150S133-C135 PolarHBondContact O-N 3.25Å; C135-G139 WeakPolarHBondContact CB-O 3.43Å; C135-C141 VanDerWaalsContact SG-CB 3.55Å; C135-C150 WeakPolarHBondContact CA-SG 3.15Å; C135-C150 HydrophobicContact CB-CB 3.75Å; C135-C150 WeakPolarHBondContact CB-SG 3.43Å; C135-C150 WeakPolarHBondContact SG-CA 3.4Å; C135-C150 WeakPolarHBondContact SG-CB 3.24Å; C135-C150 CovalentContact SG-SG 2.03Å; C135-C150 PolarHBondContact SG-SG 2.79Å
136R72.5Confident63.8Low179 Ų17984.6 Ų84.668%0.67551%0.509SS*.  trans-99.9176.5-176.6-59.2-174.8173.8-160.5-3.5111.1G138 G139 H160 C161R136-G138 PolarHBondContact O-N 2.86Å; R136-G139 PolarHBondContact O-N 3.42Å; R136-H160 WeakPolarHBondContact CB-O 3.41Å; R136-H160 PolarHBondContact N-O 3.27Å; R136-C161 WeakPolarHBondContact O-CB 3.37Å
137N62.7Low64.3Low83 Ų8378.3 Ų78.344%0.44450%0.496SS..THydrogen-bonded Turntrans5134.5170.4-59.8-27000114.9P153 F156 C161N137-P153 WeakPolarHBondContact O-CG 3.45Å; N137-F156 HydrophobicContact CB-CD1 3.98Å; N137-F156 HydrophobicContact CB-CD2 3.91Å; N137-F156 HydrophobicContact CB-CE1 4.05Å; N137-F156 HydrophobicContact CB-CE2 3.98Å; N137-F156 HydrophobicContact CB-CG 3.91Å; N137-F156 HydrophobicContact CB-CZ 4.05Å; N137-C161 PolarHBondContact ND2-O 2.73Å
138G66.9Low65.7Low66 Ų6674.1 Ų74.168%0.6847%0.47SS*.THydrogen-bonded Turntrans78.713.2-179.600000115.6R136R136-G138 PolarHBondContact O-N 2.86Å
139G74.6Confident66.8Low13 Ų1375.9 Ų75.913%0.13447%0.47CS..PPolyproline II helixtrans-69.8130.8176.800000113.7C135 R136 V151C135-G139 WeakPolarHBondContact CB-O 3.43Å; R136-G139 PolarHBondContact O-N 3.42Å; G139-V151 CarbonylContact C-O 3.53Å; G139-V151 WeakPolarHBondContact CA-O 3.47Å
140S76.8Confident67.8Low76 Ų7674.4 Ų74.453%0.53146%0.462SS..EExtended strand (participates in β ladder)trans-84.2120.9177.6-56.30000111V151S140-V151 PolarHBondContact N-O 2.94Å; S140-V151 WeakPolarHBondContact O-CB 3.24Å; S140-V151 PolarHBondContact O-N 2.95Å
141C78.9Confident68.6Low36 Ų3676.3 Ų76.324%0.24347%0.472CS..EExtended strand (participates in β ladder)trans-72.7138.1175.3-165.70000111.2C130 C135C130-C141 WeakPolarHBondContact CA-SG 3.44Å; C130-C141 HydrophobicContact CB-CB 3.58Å; C130-C141 WeakPolarHBondContact CB-SG 3.45Å; C130-C141 WeakPolarHBondContact SG-CB 3.18Å; C130-C141 CovalentContact SG-SG 2.03Å; C130-C141 PolarHBondContact SG-SG 3.45Å; C135-C141 VanDerWaalsContact SG-CB 3.55Å
142K77.2Confident69.7Low130 Ų13073.9 Ų73.957%0.56545%0.45SS*.EExtended strand (participates in β ladder)trans-130.1144.7167.4-65.9-167.1176.3-168.60110C130 Y148 R149 V151C130-K142 PolarHBondContact SG-N 2.95Å; C130-K142 VanDerWaalsContact SG-N 3.43Å; K142-Y148 WeakPolarHBondContact O-CA 3.48Å; K142-R149 HydrophobicContact CB-CG 4.17Å; K142-R149 PolarHBondContact N-O 3.44Å; K142-R149 WeakPolarHBondContact O-CG 3.46Å; K142-R149 PolarHBondContact O-N 2.84Å; K142-V151 HydrophobicContact CD-CG2 4Å; K142-V151 HydrophobicContact CG-CG2 4.06Å
143E66.2Low70.1Confident84 Ų8472.2 Ų72.239%0.39344%0.437SS..EExtended strand (participates in β ladder)trans-83.4141.8170.2-62.2-159102.200111N128 T129 S147N128-E143 PolarHBondContact ND2-OE2 2.81Å; T129-E143 WeakPolarHBondContact CB-OE1 3.42Å; T129-E143 PolarHBondContact N-OE1 3.12Å; T129-E143 PolarHBondContact OG1-OE1 3.09Å; E143-S147 WeakPolarHBondContact CA-O 3.32Å
144E57.5Low70.2Confident116 Ų11673.7 Ų73.754%0.54243%0.428SS..EExtended strand (participates in β ladder)trans-149.4120.6174.7-165.4164.4-123.300108.8G146 S147 R149E144-G146 VanDerWaalsContact C-N 3.27Å; E144-G146 PolarHBondContact O-N 2.91Å; E144-G146 VanDerWaalsContact O-N 3.13Å; E144-S147 PolarHBondContact N-O 2.83Å; E144-S147 PolarHBondContact O-N 3.32Å; E144-R149 HydrophobicContact CB-CG 4.4Å; E144-R149 VanDerWaalsContact CD-NH1 3.29Å; E144-R149 IonicContact OE1-NH1 3.71Å; E144-R149 PolarHBondContact OE1-NH1 2.83Å; E144-R149 WeakPolarHBondContact OE2-CD 3.12Å; E144-R149 IonicContact OE2-CZ 3.71Å; E144-R149 IonicContact OE2-NE 2.74Å; E144-R149 IonicContact OE2-NH1 3.06Å; E144-R149 PolarHBondContact OE2-NH1 3.38Å
145G53.3Low69.5Low93 Ų9380.1 Ų80.196%0.95945%0.449SS*.THydrogen-bonded Turntrans63.616.8173.800000117.4
146G58.2Low69.3Low72 Ų7282.3 Ų82.374%0.74246%0.456SS*.THydrogen-bonded Turntrans87.214-172.300000114.1E144E144-G146 VanDerWaalsContact C-N 3.27Å; E144-G146 PolarHBondContact O-N 2.91Å; E144-G146 VanDerWaalsContact O-N 3.13Å
147S59.5Low69.2Low71 Ų7176 Ų7650%0.49744%0.438SS..EExtended strand (participates in β ladder)trans-124.5175.3167.7-171.10000109.7E143 E144E143-S147 WeakPolarHBondContact CA-O 3.32Å; E144-S147 PolarHBondContact N-O 2.83Å; E144-S147 PolarHBondContact O-N 3.32Å
148Y75.1Confident69.4Low70 Ų7073.9 Ų73.928%0.27544%0.435SS..EExtended strand (participates in β ladder)trans-113.3152.117370.2-89.9000112.4T129 P134 K142 H160T129-Y148 HydrophobicContact CG2-CD1 3.65Å; T129-Y148 HydrophobicContact CG2-CE1 4.48Å; T129-Y148 HydrophobicContact CG2-CG 4.45Å; P134-Y148 HydrophobicContact CB-CD2 4.08Å; P134-Y148 HydrophobicContact CB-CE1 4.37Å; P134-Y148 HydrophobicContact CB-CE2 3.44Å; P134-Y148 VanDerWaalsContact CB-CE2 3.44Å; P134-Y148 HydrophobicContact CG-CD1 4.38Å; P134-Y148 HydrophobicContact CG-CD2 3.42Å; P134-Y148 VanDerWaalsContact CG-CD2 3.42Å; P134-Y148 HydrophobicContact CG-CE1 4.29Å; P134-Y148 HydrophobicContact CG-CE2 3.34Å; P134-Y148 HydrophobicContact CG-CG 3.95Å; K142-Y148 WeakPolarHBondContact O-CA 3.48Å; Y148-H160 AromaticContact CE2-CE1 3.76Å; Y148-H160 AromaticContact CE2-ND1 3.96Å; Y148-H160 AromaticContact CZ-CE1 3.94Å; Y148-H160 PolarHBondContact OH-CE1 2.67Å; Y148-H160 VanDerWaalsContact OH-CE1 3.28Å
149R76.6Confident69.7Low119 Ų11978 Ų7845%0.44943%0.434SS..EExtended strand (participates in β ladder)trans-133.6137.3172.654.2-178.6-78.5179.6-1.9110.5K142 E144K142-R149 HydrophobicContact CB-CG 4.17Å; K142-R149 PolarHBondContact N-O 3.44Å; K142-R149 WeakPolarHBondContact O-CG 3.46Å; K142-R149 PolarHBondContact O-N 2.84Å; E144-R149 HydrophobicContact CB-CG 4.4Å; E144-R149 VanDerWaalsContact CD-NH1 3.29Å; E144-R149 IonicContact OE1-NH1 3.71Å; E144-R149 PolarHBondContact OE1-NH1 2.83Å; E144-R149 WeakPolarHBondContact OE2-CD 3.12Å; E144-R149 IonicContact OE2-CZ 3.71Å; E144-R149 IonicContact OE2-NE 2.74Å; E144-R149 IonicContact OE2-NH1 3.06Å; E144-R149 PolarHBondContact OE2-NH1 3.38Å
150C81Confident70Confident19 Ų1979.8 Ų79.813%0.12844%0.439CS..EExtended strand (participates in β ladder)trans-89.3122.4174.1-620000110.3C135 C152 K159C135-C150 WeakPolarHBondContact CA-SG 3.15Å; C135-C150 HydrophobicContact CB-CB 3.75Å; C135-C150 WeakPolarHBondContact CB-SG 3.43Å; C135-C150 WeakPolarHBondContact SG-CA 3.4Å; C135-C150 WeakPolarHBondContact SG-CB 3.24Å; C135-C150 CovalentContact SG-SG 2.03Å; C135-C150 PolarHBondContact SG-SG 2.79Å; C150-C152 PolarHBondContact O-N 3.21Å; C150-K159 WeakPolarHBondContact CB-O 3.36Å; C150-K159 PolarHBondContact SG-O 2.57Å
151V80.1Confident70Confident60 Ų6076.1 Ų76.136%0.36441%0.414SS..EExtended strand (participates in β ladder)trans-89.897.9170.6-176.60000107.5G139 S140 K142G139-V151 CarbonylContact C-O 3.53Å; G139-V151 WeakPolarHBondContact CA-O 3.47Å; S140-V151 PolarHBondContact N-O 2.94Å; S140-V151 WeakPolarHBondContact O-CB 3.24Å; S140-V151 PolarHBondContact O-N 2.95Å; K142-V151 HydrophobicContact CD-CG2 4Å; K142-V151 HydrophobicContact CG-CG2 4.06Å
152C77Confident69.7Low35 Ų3579 Ų7924%0.23642%0.423CS..  trans-76.5146.3-174.1-53.60000112.7C150 F156 C161C150-C152 PolarHBondContact O-N 3.21Å; C152-F156 HydrophobicContact CB-CB 4.36Å; C152-F156 WeakPolarHBondContact CB-O 3.49Å; C152-C161 WeakPolarHBondContact CA-SG 3.45Å; C152-C161 HydrophobicContact CB-CB 3.67Å; C152-C161 WeakPolarHBondContact CB-SG 3.47Å; C152-C161 WeakPolarHBondContact SG-CA 3.47Å; C152-C161 WeakPolarHBondContact SG-CB 3.47Å; C152-C161 CovalentContact SG-SG 2.03Å; C152-C161 PolarHBondContact SG-SG 2.99Å
153P69.6Low69Low47 Ų4776.3 Ų76.331%0.30542%0.418SS..  trans-63.2153.6168.8-18.133.7000109.9N137 R155 F156N137-P153 WeakPolarHBondContact O-CG 3.45Å; P153-R155 PolarHBondContact O-N 3.43Å; P153-F156 HydrophobicContact CB-CD2 4.48Å; P153-F156 PolarHBondContact O-N 2.97Å
154Y60.6Low68.7Low133 Ų13374.8 Ų74.852%0.52243%0.425SS..THydrogen-bonded Turntrans-57.1-16.4-167.666.8-88000116.6H182Y154-H182 AromaticContact CD2-CE1 2.96Å; Y154-H182 WeakPolarHBondContact CD2-CE1 3.4Å; Y154-H182 AromaticContact CE2-CE1 2.82Å; Y154-H182 WeakPolarHBondContact CE2-CE1 3.32Å
155R59.3Low68.7Low159 Ų15975.1 Ų75.160%0.642%0.424SS*.THydrogen-bonded Turntrans-92.50.3174.5-58.2-146.3-68.3170-3.6114.7P153 G164 K165P153-R155 PolarHBondContact O-N 3.43Å; R155-G164 CarbonylContact O-C 3.55Å; R155-G164 WeakPolarHBondContact O-CA 3.43Å; R155-K165 PolarHBondContact O-N 2.68Å
156F72.3Confident69Low68 Ų6875.9 Ų75.930%0.29841%0.412SS..EExtended strand (participates in β ladder)trans-130.4149.8-177.8-61-76.6000112.9N137 C152 P153 C161 V163N137-F156 HydrophobicContact CB-CD1 3.98Å; N137-F156 HydrophobicContact CB-CD2 3.91Å; N137-F156 HydrophobicContact CB-CE1 4.05Å; N137-F156 HydrophobicContact CB-CE2 3.98Å; N137-F156 HydrophobicContact CB-CG 3.91Å; N137-F156 HydrophobicContact CB-CZ 4.05Å; C152-F156 HydrophobicContact CB-CB 4.36Å; C152-F156 WeakPolarHBondContact CB-O 3.49Å; P153-F156 HydrophobicContact CB-CD2 4.48Å; P153-F156 PolarHBondContact O-N 2.97Å; F156-C161 HydrophobicContact CB-CB 4.22Å; F156-V163 CarbonylContact C-O 3.59Å; F156-V163 WeakPolarHBondContact CA-O 3.38Å
157T69.1Low69.1Low47 Ų4776.3 Ų76.329%0.28840%0.398SS..EExtended strand (participates in β ladder)trans-145.3-176.7-179.655.10000109.8C161 E162 V163 K165T157-C161 CarbonylContact O-C 3.54Å; T157-C161 VanDerWaalsContact O-CA 3.28Å; T157-C161 WeakPolarHBondContact O-CA 3.25Å; T157-E162 PolarHBondContact O-N 3.05Å; T157-E162 VanDerWaalsContact O-N 3.11Å; T157-V163 PolarHBondContact N-O 3.07Å; T157-V163 PolarHBondContact O-N 2.93Å; T157-V163 PolarHBondContact OG1-O 2.9Å; T157-K165 HydrophobicContact CG2-CB 4.45Å; T157-K165 HydrophobicContact CG2-CD 3.72Å; T157-K165 HydrophobicContact CG2-CG 4.06Å
158G67Low69.3Low37 Ų3774.5 Ų74.538%0.38138%0.384SS..SBendtrans96.1172.7-17000000111.9H160 E162G158-H160 VanDerWaalsContact C-N 3.28Å; G158-H160 PolarHBondContact O-N 3.06Å; G158-E162 WeakPolarHBondContact CA-OE1 3.34Å
159K74.9Confident69Low153 Ų15372.5 Ų72.567%0.66538%0.38SS*.THydrogen-bonded Turntrans-72.7-25.6-171.5-173.5-179.6174.2-172.80112.5C150 E162C150-K159 WeakPolarHBondContact CB-O 3.36Å; C150-K159 PolarHBondContact SG-O 2.57Å; K159-E162 PolarHBondContact N-OE1 3.15Å; K159-E162 PolarHBondContact N-OE2 2.62Å; K159-E162 VanDerWaalsContact N-OE2 3.16Å
160H79Confident68.7Low50 Ų5071.3 Ų71.323%0.23139%0.39CS..THydrogen-bonded Turntrans-125.117.1-177.8-52.8-76.2000111.7P134 R136 Y148 G158 E162P134-H160 PolarHBondContact O-ND1 3.22Å; R136-H160 WeakPolarHBondContact CB-O 3.41Å; R136-H160 PolarHBondContact N-O 3.27Å; Y148-H160 AromaticContact CE2-CE1 3.76Å; Y148-H160 AromaticContact CE2-ND1 3.96Å; Y148-H160 AromaticContact CZ-CE1 3.94Å; Y148-H160 PolarHBondContact OH-CE1 2.67Å; Y148-H160 VanDerWaalsContact OH-CE1 3.28Å; G158-H160 VanDerWaalsContact C-N 3.28Å; G158-H160 PolarHBondContact O-N 3.06Å; H160-E162 VanDerWaalsContact C-N 3.34Å; H160-E162 WeakPolarHBondContact CA-OE2 3.16Å; H160-E162 WeakPolarHBondContact CB-OE2 3.49Å; H160-E162 PolarHBondContact N-OE2 2.93Å
161C77.3Confident68.2Low0 Ų074.4 Ų74.40%041%0.412CS..SBendtrans65.630-177.1-45.40000115R136 N137 C152 F156 T157R136-C161 WeakPolarHBondContact O-CB 3.37Å; N137-C161 PolarHBondContact ND2-O 2.73Å; C152-C161 WeakPolarHBondContact CA-SG 3.45Å; C152-C161 HydrophobicContact CB-CB 3.67Å; C152-C161 WeakPolarHBondContact CB-SG 3.47Å; C152-C161 WeakPolarHBondContact SG-CA 3.47Å; C152-C161 WeakPolarHBondContact SG-CB 3.47Å; C152-C161 CovalentContact SG-SG 2.03Å; C152-C161 PolarHBondContact SG-SG 2.99Å; F156-C161 HydrophobicContact CB-CB 4.22Å; T157-C161 CarbonylContact O-C 3.54Å; T157-C161 VanDerWaalsContact O-CA 3.28Å; T157-C161 WeakPolarHBondContact O-CA 3.25Å
162E72.3Confident67.8Low95 Ų9577.5 Ų77.544%0.44443%0.431SS..  trans-79.7-16.4-17467.9-76.3-17900115.8T157 G158 K159 H160T157-E162 PolarHBondContact O-N 3.05Å; T157-E162 VanDerWaalsContact O-N 3.11Å; G158-E162 WeakPolarHBondContact CA-OE1 3.34Å; K159-E162 PolarHBondContact N-OE1 3.15Å; K159-E162 PolarHBondContact N-OE2 2.62Å; K159-E162 VanDerWaalsContact N-OE2 3.16Å; H160-E162 VanDerWaalsContact C-N 3.34Å; H160-E162 WeakPolarHBondContact CA-OE2 3.16Å; H160-E162 WeakPolarHBondContact CB-OE2 3.49Å; H160-E162 PolarHBondContact N-OE2 2.93Å
163V64.3Low68Low75 Ų7577 Ų7746%0.45543%0.427SS..EExtended strand (participates in β ladder)trans-109.3133.8-174.4-1710000110.9F156 T157F156-V163 CarbonylContact C-O 3.59Å; F156-V163 WeakPolarHBondContact CA-O 3.38Å; T157-V163 PolarHBondContact N-O 3.07Å; T157-V163 PolarHBondContact O-N 2.93Å; T157-V163 PolarHBondContact OG1-O 2.9Å
164G58.4Low68.6Low52 Ų5275.9 Ų75.954%0.53642%0.421SS..EExtended strand (participates in β ladder)trans-80.2146.8173.800000113.1R155R155-G164 CarbonylContact O-C 3.55Å; R155-G164 WeakPolarHBondContact O-CA 3.43Å
165K57Low69.4Low122 Ų12275 Ų7553%0.5342%0.421SS..  trans-109.9134.6-179.4-138.5-174-172.2-175.90112.2R155 T157R155-K165 PolarHBondContact O-N 2.68Å; T157-K165 HydrophobicContact CG2-CB 4.45Å; T157-K165 HydrophobicContact CG2-CD 3.72Å; T157-K165 HydrophobicContact CG2-CG 4.06Å
166P60.6Low70.3Confident110 Ų11071.6 Ų71.671%0.71442%0.415SS*.  trans-66.5164.9174.9-20.933.5000114.2
167D60.3Low70.3Confident81 Ų8171.9 Ų71.943%0.43344%0.437SS..  trans-78.1126-178.3-166.2-58.9000112.7C169 S170D167-C169 VanDerWaalsContact C-N 3.34Å; D167-C169 PolarHBondContact O-N 2.92Å; D167-C169 PolarHBondContact OD1-N 2.87Å; D167-S170 WeakPolarHBondContact O-CB 3.45Å; D167-S170 PolarHBondContact O-N 2.92Å; D167-S170 VanDerWaalsContact O-N 3.17Å; D167-S170 PolarHBondContact O-OG 2.77Å
168P63.3Low70.7Confident33 Ų3370.3 Ų70.321%0.21443%0.43CS..G310 helixtrans-63.1-21.9178.4-2636.6000117.3H182P168-H182 VanDerWaalsContact CD-CD2 3.44Å; P168-H182 WeakPolarHBondContact CD-CD2 3.24Å; P168-H182 WeakPolarHBondContact CD-NE2 3.45Å; P168-H182 WeakPolarHBondContact CG-NE2 3.35Å
169C68.8Low71.3Confident28 Ų2872.3 Ų72.319%0.18944%0.435CS..G310 helixtrans-85.4-7.7175-79.90000112.8D167 S171 T172 C180D167-C169 VanDerWaalsContact C-N 3.34Å; D167-C169 PolarHBondContact O-N 2.92Å; D167-C169 PolarHBondContact OD1-N 2.87Å; C169-S171 PolarHBondContact O-N 2.98Å; C169-S171 VanDerWaalsContact O-N 3.11Å; C169-T172 PolarHBondContact O-N 2.93Å; C169-T172 VanDerWaalsContact O-N 3.17Å; C169-C180 VanDerWaalsContact CA-SG 3.58Å; C169-C180 HydrophobicContact CB-CB 4.03Å; C169-C180 WeakPolarHBondContact CB-SG 3.37Å; C169-C180 VanDerWaalsContact SG-C 3.52Å; C169-C180 WeakPolarHBondContact SG-CB 3.44Å; C169-C180 CovalentContact SG-SG 2.05Å; C169-C180 PolarHBondContact SG-SG 2.88Å
170S71.1Confident71.6Confident94 Ų9466.8 Ų66.866%0.65742%0.415SS*.G310 helixtrans-64.9-13.8179.267.10000114.8D167D167-S170 WeakPolarHBondContact O-CB 3.45Å; D167-S170 PolarHBondContact O-N 2.92Å; D167-S170 VanDerWaalsContact O-N 3.17Å; D167-S170 PolarHBondContact O-OG 2.77Å
171S70.3Confident71.3Confident84 Ų8469 Ų6959%0.58742%0.424SS*.G310 helixtrans-103.620.9176.771.10000114C169C169-S171 PolarHBondContact O-N 2.98Å; C169-S171 VanDerWaalsContact O-N 3.11Å
172T72.6Confident70.9Confident125 Ų12572.1 Ų72.177%0.76744%0.439SS*.  trans40.260.7173.1590000115C169 C174C169-T172 PolarHBondContact O-N 2.93Å; C169-T172 VanDerWaalsContact O-N 3.17Å; T172-C174 PolarHBondContact O-N 2.87Å
173P79.3Confident70.1Confident23 Ų2373.3 Ų73.315%0.14944%0.44CS..  trans-81.1-9.5-167.132.5-37.6000115.7Y187P173-Y187 HydrophobicContact CB-CD1 4.13Å; P173-Y187 HydrophobicContact CB-CD2 4.03Å; P173-Y187 HydrophobicContact CB-CE1 3.79Å; P173-Y187 HydrophobicContact CB-CE2 3.68Å; P173-Y187 HydrophobicContact CB-CG 4.26Å; P173-Y187 HydrophobicContact CG-CD1 3.74Å; P173-Y187 HydrophobicContact CG-CD2 3.51Å; P173-Y187 HydrophobicContact CG-CE1 3.95Å; P173-Y187 HydrophobicContact CG-CE2 3.73Å; P173-Y187 HydrophobicContact CG-CG 3.54Å
174C83.3Confident69.6Low25 Ų2576.9 Ų76.917%0.16946%0.456CS..  trans-93.8135-174.2-57.80000112T172 G178 C189T172-C174 PolarHBondContact O-N 2.87Å; C174-G178 WeakPolarHBondContact CB-O 3.49Å; C174-C189 WeakPolarHBondContact CA-SG 3.33Å; C174-C189 HydrophobicContact CB-CB 3.71Å; C174-C189 WeakPolarHBondContact CB-SG 3.2Å; C174-C189 WeakPolarHBondContact SG-CA 3.46Å; C174-C189 WeakPolarHBondContact SG-CB 3.48Å; C174-C189 CovalentContact SG-SG 2.04Å; C174-C189 PolarHBondContact SG-SG 3.2Å
175Q78.1Confident69.7Low114 Ų11476 Ų7653%0.53345%0.446SS..  trans-106.7173.3-174.2-53.5-173.616.700111.7G177 G178 D199Q175-G177 PolarHBondContact O-N 2.98Å; Q175-G177 VanDerWaalsContact O-N 3.12Å; Q175-G178 PolarHBondContact O-N 3.41Å; Q175-D199 WeakPolarHBondContact CB-O 3.27Å; Q175-D199 PolarHBondContact N-O 3.01Å
176N76.4Confident69.8Low88 Ų8877 Ų7747%0.47145%0.451SS..THydrogen-bonded Turntrans52.336.2173.5-59.5-33.4000115G178 Y195 C200N176-G178 VanDerWaalsContact C-N 3.33Å; N176-Y195 HydrophobicContact CB-CD1 4.49Å; N176-Y195 HydrophobicContact CB-CG 4.45Å; N176-C200 PolarHBondContact ND2-O 3.13Å
177G72.6Confident70.5Confident74 Ų7474.9 Ų74.976%0.76343%0.429SS*.THydrogen-bonded Turntrans81.15179.700000115.2Q175Q175-G177 PolarHBondContact O-N 2.98Å; Q175-G177 VanDerWaalsContact O-N 3.12Å
178G78.4Confident71.4Confident14 Ų1475.7 Ų75.714%0.14443%0.429CS..PPolyproline II helixtrans-70.8141.9-178.900000114.4C174 Q175 N176 E190C174-G178 WeakPolarHBondContact CB-O 3.49Å; Q175-G178 PolarHBondContact O-N 3.41Å; N176-G178 VanDerWaalsContact C-N 3.33Å; G178-E190 CarbonylContact C-O 3.3Å; G178-E190 WeakPolarHBondContact CA-O 3.39Å
179T78.4Confident72.3Confident78 Ų7874.6 Ų74.648%0.47942%0.422SS..EExtended strand (participates in β ladder)trans-85.6134.7-175.8-56.50000111.6F181 C189 E190T179-F181 HydrophobicContact CG2-CD2 4.31Å; T179-F181 HydrophobicContact CG2-CE1 4.28Å; T179-F181 HydrophobicContact CG2-CE2 3.66Å; T179-F181 HydrophobicContact CG2-CZ 3.64Å; T179-C189 WeakPolarHBondContact O-CA 3.24Å; T179-E190 PolarHBondContact N-O 3.06Å; T179-E190 PolarHBondContact O-N 3.16Å
180C81.3Confident72.9Confident37 Ų3777.9 Ų77.925%0.2543%0.434CS..EExtended strand (participates in β ladder)trans-88.8122.3178.3-167.30000112C169C169-C180 VanDerWaalsContact CA-SG 3.58Å; C169-C180 HydrophobicContact CB-CB 4.03Å; C169-C180 WeakPolarHBondContact CB-SG 3.37Å; C169-C180 VanDerWaalsContact SG-C 3.52Å; C169-C180 WeakPolarHBondContact SG-CB 3.44Å; C169-C180 CovalentContact SG-SG 2.05Å; C169-C180 PolarHBondContact SG-SG 2.88Å
181F74.3Confident73.4Confident96 Ų9675.3 Ų75.342%0.42142%0.416SS..EExtended strand (participates in β ladder)trans-116.3120.6173.1-64.6-79.5000110.8T179 Y187 K188 E190T179-F181 HydrophobicContact CG2-CD2 4.31Å; T179-F181 HydrophobicContact CG2-CE1 4.28Å; T179-F181 HydrophobicContact CG2-CE2 3.66Å; T179-F181 HydrophobicContact CG2-CZ 3.64Å; F181-Y187 CarbonylContact O-C 3.46Å; F181-Y187 WeakPolarHBondContact O-CA 3.42Å; F181-K188 PolarHBondContact N-O 3.32Å; F181-K188 PolarHBondContact O-N 3.49Å; F181-E190 HydrophobicContact CD2-CB 4.22Å; F181-E190 HydrophobicContact CE2-CB 3.83Å; F181-E190 WeakPolarHBondContact CE2-OE2 3.25Å
182H67.4Low73.6Confident67 Ų6774.6 Ų74.631%0.3141%0.408SS..EExtended strand (participates in β ladder)trans-78.5129173.7170.9-125.3000110.9Y154 P168 G185 K186Y154-H182 AromaticContact CD2-CE1 2.96Å; Y154-H182 WeakPolarHBondContact CD2-CE1 3.4Å; Y154-H182 AromaticContact CE2-CE1 2.82Å; Y154-H182 WeakPolarHBondContact CE2-CE1 3.32Å; P168-H182 VanDerWaalsContact CD-CD2 3.44Å; P168-H182 WeakPolarHBondContact CD-CD2 3.24Å; P168-H182 WeakPolarHBondContact CD-NE2 3.45Å; P168-H182 WeakPolarHBondContact CG-NE2 3.35Å; H182-G185 WeakPolarHBondContact NE2-CA 3.14Å; H182-G185 PolarHBondContact NE2-N 3.46Å; H182-K186 PolarHBondContact CD2-O 3.12Å; H182-K186 VanDerWaalsContact CD2-O 3.29Å
183Y56.3Low73.7Confident120 Ų12077 Ų7747%0.47142%0.416SS..EExtended strand (participates in β ladder)trans-147.7130174.876.1-62.8000111G185 K186 K188Y183-G185 PolarHBondContact O-N 3.02Å; Y183-K186 HydrophobicContact CE1-CB 4.12Å; Y183-K186 PolarHBondContact N-O 2.93Å; Y183-K186 CarbonylContact O-C 3.56Å; Y183-K186 PolarHBondContact O-N 2.88Å; Y183-K188 HydrophobicContact CD1-CB 4.06Å; Y183-K188 HydrophobicContact CE1-CB 3.67Å
184L54Low73Confident150 Ų15082.7 Ų82.779%0.78544%0.441SS*.THydrogen-bonded Turntrans49.634173.4-59.9173.6000115.2
185G59.6Low72.5Confident32 Ų3285.9 Ų85.933%0.3345%0.45SS..THydrogen-bonded Turntrans79.614.2-179.300000115.1H182 Y183H182-G185 WeakPolarHBondContact NE2-CA 3.14Å; H182-G185 PolarHBondContact NE2-N 3.46Å; Y183-G185 PolarHBondContact O-N 3.02Å
186K59.5Low72.1Confident145 Ų14582.3 Ų82.363%0.6344%0.438SS*.EExtended strand (participates in β ladder)trans-126.4169.2170.9-61.2-178.5-177.8179.10109.6H182 Y183H182-K186 PolarHBondContact CD2-O 3.12Å; H182-K186 VanDerWaalsContact CD2-O 3.29Å; Y183-K186 HydrophobicContact CE1-CB 4.12Å; Y183-K186 PolarHBondContact N-O 2.93Å; Y183-K186 CarbonylContact O-C 3.56Å; Y183-K186 PolarHBondContact O-N 2.88Å
187Y76.1Confident71.8Confident64 Ų6479.9 Ų79.925%0.25143%0.433SS..EExtended strand (participates in β ladder)trans-110.5149.4168.969-92.9000110.4P173 F181 K198 D199P173-Y187 HydrophobicContact CB-CD1 4.13Å; P173-Y187 HydrophobicContact CB-CD2 4.03Å; P173-Y187 HydrophobicContact CB-CE1 3.79Å; P173-Y187 HydrophobicContact CB-CE2 3.68Å; P173-Y187 HydrophobicContact CB-CG 4.26Å; P173-Y187 HydrophobicContact CG-CD1 3.74Å; P173-Y187 HydrophobicContact CG-CD2 3.51Å; P173-Y187 HydrophobicContact CG-CE1 3.95Å; P173-Y187 HydrophobicContact CG-CE2 3.73Å; P173-Y187 HydrophobicContact CG-CG 3.54Å; F181-Y187 CarbonylContact O-C 3.46Å; F181-Y187 WeakPolarHBondContact O-CA 3.42Å; Y187-K198 PolarHBondContact OH-NZ 2.05Å; Y187-D199 VanDerWaalsContact CE2-OD1 3.28Å; Y187-D199 WeakPolarHBondContact CE2-OD1 3.34Å; Y187-D199 PolarHBondContact OH-OD1 2.93Å
188K78.1Confident72Confident99 Ų9982.9 Ų82.943%0.4343%0.425SS..EExtended strand (participates in β ladder)trans-115.5137.2164.5179.1-164171.8-150.40107.3F181 Y183 E190F181-K188 PolarHBondContact N-O 3.32Å; F181-K188 PolarHBondContact O-N 3.49Å; Y183-K188 HydrophobicContact CD1-CB 4.06Å; Y183-K188 HydrophobicContact CE1-CB 3.67Å; K188-E190 IonicContact NZ-OE1 2.83Å; K188-E190 PolarHBondContact NZ-OE1 3.22Å
189C81.9Confident72Confident10 Ų1083.4 Ų83.47%0.06843%0.425CS..EExtended strand (participates in β ladder)trans-94.8138.3166.3-58.10000110.2C174 T179C174-C189 WeakPolarHBondContact CA-SG 3.33Å; C174-C189 HydrophobicContact CB-CB 3.71Å; C174-C189 WeakPolarHBondContact CB-SG 3.2Å; C174-C189 WeakPolarHBondContact SG-CA 3.46Å; C174-C189 WeakPolarHBondContact SG-CB 3.48Å; C174-C189 CovalentContact SG-SG 2.04Å; C174-C189 PolarHBondContact SG-SG 3.2Å; T179-C189 WeakPolarHBondContact O-CA 3.24Å
190E82.8Confident72.1Confident96 Ų9679.7 Ų79.745%0.44940%0.402SS..EExtended strand (participates in β ladder)trans-107.1119.7170-165136.6-90.600108.6G178 T179 F181 K188G178-E190 CarbonylContact C-O 3.3Å; G178-E190 WeakPolarHBondContact CA-O 3.39Å; T179-E190 PolarHBondContact N-O 3.06Å; T179-E190 PolarHBondContact O-N 3.16Å; F181-E190 HydrophobicContact CD2-CB 4.22Å; F181-E190 HydrophobicContact CE2-CB 3.83Å; F181-E190 WeakPolarHBondContact CE2-OE2 3.25Å; K188-E190 IonicContact NZ-OE1 2.83Å; K188-E190 PolarHBondContact NZ-OE1 3.22Å
191C80.8Confident71.9Confident40 Ų4082.4 Ų82.427%0.2741%0.411SS..  trans-101.5154.4-167.7-50.50000111.9Y195 C200C191-Y195 WeakPolarHBondContact CB-O 3.44Å; C191-C200 WeakPolarHBondContact CA-SG 3.36Å; C191-C200 HydrophobicContact CB-CB 3.73Å; C191-C200 WeakPolarHBondContact CB-SG 3.38Å; C191-C200 WeakPolarHBondContact SG-CA 3.4Å; C191-C200 WeakPolarHBondContact SG-CB 3.48Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 3.19Å
192T75.1Confident71.5Confident69 Ų6982.2 Ų82.242%0.42341%0.413SS..  trans-73.5153.5170.248.80000111.1E194 Y195T192-E194 PolarHBondContact O-N 3.11Å; T192-Y195 PolarHBondContact O-N 2.87Å; T192-Y195 VanDerWaalsContact O-O 3.05Å
193D73.1Confident71.3Confident177 Ų17783.1 Ų83.195%0.94743%0.427SS*.THydrogen-bonded Turntrans-59.8-19.4-164.4-61.7-67.2000116.2
194E65.8Low71.6Confident142 Ų14287.9 Ų87.966%0.66444%0.444SS*.THydrogen-bonded Turntrans-82.4-14.2176.7-61.5-176.2166.600113.8T192T192-E194 PolarHBondContact O-N 3.11Å
195Y73.4Confident71.7Confident92 Ų9286 Ų8636%0.36144%0.444SS..  trans-126.7142.2-171.6-63.7-91.3000112.6N176 C191 T192 I202N176-Y195 HydrophobicContact CB-CD1 4.49Å; N176-Y195 HydrophobicContact CB-CG 4.45Å; C191-Y195 WeakPolarHBondContact CB-O 3.44Å; T192-Y195 PolarHBondContact O-N 2.87Å; T192-Y195 VanDerWaalsContact O-O 3.05Å; Y195-I202 CarbonylContact C-O 3.5Å
196S67.9Low71.1Confident39 Ų3990 Ų9027%0.27347%0.467SS..BIsolated β-bridgetrans-140.8175.7-176.366.10000111.6C200 Q201 I202S196-C200 CarbonylContact O-C 3.27Å; S196-Q201 PolarHBondContact O-N 3.06Å; S196-I202 PolarHBondContact N-O 3.03Å; S196-I202 WeakPolarHBondContact O-CB 3.35Å; S196-I202 PolarHBondContact O-N 3.26Å; S196-I202 PolarHBondContact OG-O 2.94Å
197G71.3Confident70Confident37 Ų3791.1 Ų91.138%0.38148%0.479SS..THydrogen-bonded Turntrans94.9169.9-172.900000113D199 C200G197-D199 VanDerWaalsContact C-N 3.28Å; G197-D199 PolarHBondContact O-N 3.36Å; G197-C200 PolarHBondContact O-N 2.99Å
198K75.9Confident68.1Low137 Ų13797 Ų9760%0.59651%0.508SS*.THydrogen-bonded Turntrans-60.8-33.8-166.8178.2-178.5153.4-75.90114.1Y187 Q201Y187-K198 PolarHBondContact OH-NZ 2.05Å; K198-Q201 VanDerWaalsContact N-OE1 3.11Å
199D79.7Confident66.9Low24 Ų2497.7 Ų97.713%0.12852%0.523CS..THydrogen-bonded Turntrans-12518.9-173.1-45.3-78.6000110.6Q175 Y187 G197 Q201Q175-D199 WeakPolarHBondContact CB-O 3.27Å; Q175-D199 PolarHBondContact N-O 3.01Å; Y187-D199 VanDerWaalsContact CE2-OD1 3.28Å; Y187-D199 WeakPolarHBondContact CE2-OD1 3.34Å; Y187-D199 PolarHBondContact OH-OD1 2.93Å; G197-D199 VanDerWaalsContact C-N 3.28Å; G197-D199 PolarHBondContact O-N 3.36Å; D199-Q201 PolarHBondContact OD2-NE2 2.78Å
200C80.9Confident65.1Low0 Ų0102.5 Ų102.50%056%0.557CS.*THydrogen-bonded Turntrans7048.4179.3-48.60000116.2N176 C191 S196 G197N176-C200 PolarHBondContact ND2-O 3.13Å; C191-C200 WeakPolarHBondContact CA-SG 3.36Å; C191-C200 HydrophobicContact CB-CB 3.73Å; C191-C200 WeakPolarHBondContact CB-SG 3.38Å; C191-C200 WeakPolarHBondContact SG-CA 3.4Å; C191-C200 WeakPolarHBondContact SG-CB 3.48Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 3.19Å; S196-C200 CarbonylContact O-C 3.27Å; G197-C200 PolarHBondContact O-N 2.99Å
201Q76.6Confident62.9Low94 Ų94103 Ų10344%0.43958%0.577SS.*  trans-115.24.5-167.572.7-8966.300118.2S196 K198 D199S196-Q201 PolarHBondContact O-N 3.06Å; K198-Q201 VanDerWaalsContact N-OE1 3.11Å; D199-Q201 PolarHBondContact OD2-NE2 2.78Å
202I66.4Low61.5Low93 Ų93110.4 Ų110.448%0.47761%0.608SS.*BIsolated β-bridgetrans-130.4125-171.4-46-179.6000112.3Y195 S196Y195-I202 CarbonylContact C-O 3.5Å; S196-I202 PolarHBondContact N-O 3.03Å; S196-I202 WeakPolarHBondContact O-CB 3.35Å; S196-I202 PolarHBondContact O-N 3.26Å; S196-I202 PolarHBondContact OG-O 2.94Å
203S63.1Low60.6Low86 Ų86112.8 Ų112.860%0.60162%0.617SS**  trans-92.2159.3171.8-167.40000112.4
204R61.3Low60Low219 Ų219106.4 Ų106.483%0.82659%0.594SS**  trans-125.658.9-151.8-158.2179.6-174.3-177.51.1115.3
205S55.7Low60.1Low112 Ų112100.4 Ų100.478%0.78357%0.567SS**  trans-142.178.9-172.5-610000116.2
206S46.8Very low59.9Low116 Ų11697.4 Ų97.481%0.81156%0.564SS**  trans-179.9121.5155.647.80000114.7
207L36.7Very low60.3Low168 Ų168100.5 Ų100.588%0.8858%0.583SS**  trans175.5136.4152.2-105.8154.8000113.3
208H36.3Very low60.6Low186 Ų18699.5 Ų99.586%0.86157%0.57SS**  trans-158.9160.9163.2-103.7-36.5000111.9
209P53.6Low60.6Low114 Ų11495.8 Ų95.874%0.7456%0.56SS**  trans-102.6-157.2-171.345.9-39.9000112.4
210S43.2Very low60.5Low112 Ų112101.9 Ų101.978%0.78359%0.587SS**  cis-164156.710.446.80000112.2
211A37.3Very low60.4Low106 Ų106102.7 Ų102.788%0.87659%0.592SS**  trans-156.7166.4164.800000112.7
212E52.1Low60.2Low195 Ų195106.6 Ų106.691%0.91161%0.607SS**  trans-94.8149.4-169.9-56.7174.7125.800114.6
213L56.6Low60.9Low120 Ų120106.8 Ų106.863%0.62861%0.606SS**  trans-154.9155.5175.1-151.968.2000113.3
214G59.3Low61.7Low43 Ų43102.8 Ų102.844%0.44358%0.579SS.*  trans-137.1157.3178.500000113
215C68.3Low62.6Low16 Ų1698.4 Ų98.411%0.10857%0.568CS.*  trans-90.5-2.8-150.7-43.20000118.6T231 C256 G257 G260 E261 W262C215-T231 PolarHBondContact N-O 2.82Å; C215-C256 HydrophobicContact CB-CB 3.77Å; C215-C256 WeakPolarHBondContact CB-SG 3.34Å; C215-C256 VanDerWaalsContact SG-C 3.57Å; C215-C256 WeakPolarHBondContact SG-CA 3.32Å; C215-C256 WeakPolarHBondContact SG-CB 3.39Å; C215-C256 CovalentContact SG-SG 2.02Å; C215-C256 PolarHBondContact SG-SG 3.27Å; C215-G257 PolarHBondContact SG-N 2.97Å; C215-G257 PolarHBondContact SG-O 2.99Å; C215-G257 VanDerWaalsContact SG-O 3.39Å; C215-G260 WeakPolarHBondContact CA-O 3.38Å; C215-G260 VanDerWaalsContact SG-C 3.53Å; C215-E261 VanDerWaalsContact SG-C 3.54Å; C215-E261 PolarHBondContact SG-N 2.95Å; C215-E261 VanDerWaalsContact SG-N 3.42Å; C215-E261 PolarHBondContact SG-O 2.99Å; C215-E261 VanDerWaalsContact SG-O 3.35Å; C215-W262 HydrophobicContact CB-CD2 4.41Å; C215-W262 HydrophobicContact CB-CG 4.17Å; C215-W262 PolarHBondContact O-NE1 2.94Å
216G69.6Low63.9Low29 Ų2995 Ų9530%0.29954%0.542SS..  trans63-167.8-173.800000113.7T231 W262G216-T231 VanDerWaalsContact O-CB 3.22Å; G216-T231 WeakPolarHBondContact O-CB 3.49Å; G216-T231 WeakPolarHBondContact O-CG2 3.27Å; G216-W262 PolarHBondContact O-NE1 2.82Å
217P75.2Confident65.5Low103 Ų10395.9 Ų95.967%0.66953%0.533SS*.SBendtrans-73149.1-178.430-34.6000112.8F228P217-F228 HydrophobicContact CB-CZ 4.33Å
218P77.6Confident67.7Low16 Ų1692.4 Ų92.410%0.10451%0.511CS..PPolyproline II helixtrans-66.8149.7-179-16.928.9000114.2V226 F228 A237 Y239 W262P218-V226 HydrophobicContact CB-CG2 4.38Å; P218-F228 VanDerWaalsContact CD-CZ 3.44Å; P218-F228 HydrophobicContact CG-CB 4.08Å; P218-F228 HydrophobicContact CG-CD1 3.65Å; P218-F228 HydrophobicContact CG-CD2 3.92Å; P218-F228 HydrophobicContact CG-CE1 4.03Å; P218-F228 HydrophobicContact CG-CE2 4.27Å; P218-F228 HydrophobicContact CG-CG 3.6Å; P218-F228 HydrophobicContact CG-CZ 4.33Å; P218-A237 HydrophobicContact CB-CB 3.8Å; P218-A237 HydrophobicContact CG-CB 3.49Å; P218-A237 VanDerWaalsContact CG-CB 3.49Å; P218-Y239 VanDerWaalsContact CB-OH 3.29Å; P218-Y239 WeakPolarHBondContact CB-OH 3.39Å; P218-W262 HydrophobicContact CB-CD2 4.37Å; P218-W262 HydrophobicContact CG-CD2 4.38Å; P218-W262 HydrophobicContact CG-CH2 3.98Å; P218-W262 HydrophobicContact CG-CZ2 3.68Å; P218-W262 HydrophobicContact CG-CZ3 4.42Å
219P75.9Confident69.3Low59 Ų5989.4 Ų89.438%0.38351%0.511SS..PPolyproline II helixtrans-73.3133.5-179.829.3-36.2000113.6Y239 P265P219-Y239 WeakPolarHBondContact O-CE1 3.31Å; P219-Y239 PolarHBondContact O-OH 3.35Å; P219-P265 HydrophobicContact CG-CB 4.45Å; P219-P265 HydrophobicContact CG-CG 3.93Å
220H78.2Confident70.3Confident153 Ų15386 Ų8671%0.70849%0.49SS*.PPolyproline II helixtrans-74128.4-179.1-156.5-49.4000112.7A224H220-A224 PolarHBondContact CE1-O 3.05Å
221V79.7Confident71.8Confident17 Ų1783.3 Ų83.310%0.10347%0.469CS..PPolyproline II helixtrans-93.2147.2175.3173.40000110.4A224 Y239 P265 P266V221-A224 HydrophobicContact CB-CB 3.92Å; V221-A224 HydrophobicContact CG1-CB 3.79Å; V221-Y239 HydrophobicContact CB-CD1 4.17Å; V221-Y239 HydrophobicContact CB-CE1 4.46Å; V221-Y239 HydrophobicContact CG2-CD1 3.76Å; V221-Y239 HydrophobicContact CG2-CE1 3.77Å; V221-P265 HydrophobicContact CG2-CB 3.73Å; V221-P265 HydrophobicContact CG2-CG 4Å; V221-P266 WeakPolarHBondContact CG1-O 3.45Å; V221-P266 WeakPolarHBondContact CG2-O 3.2Å
222K72.4Confident73.7Confident175 Ų17582.1 Ų82.176%0.76145%0.451SS*.THydrogen-bonded Turntrans-80.4140.8175-69.2-172.4177.9-178.10111.2A224K222-A224 PolarHBondContact O-N 3.01Å
223H79.4Confident74.7Confident97 Ų9775.6 Ų75.645%0.44943%0.425SS..THydrogen-bonded Turntrans57.734-173.4-49.6-85.5000113.1C241 H242 F245H223-C241 WeakPolarHBondContact O-CA 3.48Å; H223-H242 PolarHBondContact O-CD2 3.44Å; H223-H242 VanDerWaalsContact O-CD2 3.26Å; H223-H242 PolarHBondContact O-N 3.06Å; H223-F245 HydrophobicContact CB-CD1 4.14Å; H223-F245 HydrophobicContact CB-CD2 4.36Å; H223-F245 HydrophobicContact CB-CE1 4.3Å; H223-F245 HydrophobicContact CB-CG 4.21Å; H223-F245 HydrophobicContact CB-CZ 4.49Å; H223-F245 AromaticContact CG-CE1 3.99Å; H223-F245 AromaticContact ND1-CZ 3.9Å
224A80.4Confident75.5Confident3 Ų372.5 Ų72.53%0.02542%0.423CS..EExtended strand (participates in β ladder)trans-144.8151173.600000111.8H220 V221 K222 V240 H242H220-A224 PolarHBondContact CE1-O 3.05Å; V221-A224 HydrophobicContact CB-CB 3.92Å; V221-A224 HydrophobicContact CG1-CB 3.79Å; K222-A224 PolarHBondContact O-N 3.01Å; A224-V240 CarbonylContact C-O 3.58Å; A224-V240 WeakPolarHBondContact CA-O 3.45Å; A224-H242 PolarHBondContact N-CD2 3.32Å; A224-H242 PolarHBondContact N-NE2 2.88Å
225E80.9Confident76.4Confident127 Ų12771.2 Ų71.259%0.59341%0.407SS*.EExtended strand (participates in β ladder)trans-102.3149.5166-62.6-176.7173.200109.9Y239 V240E225-Y239 CarbonylContact O-C 3.56Å; E225-Y239 VanDerWaalsContact O-CA 3.31Å; E225-Y239 WeakPolarHBondContact O-CA 3.49Å; E225-V240 PolarHBondContact N-O 2.82Å; E225-V240 PolarHBondContact O-N 2.91Å
226V82.1Confident77Confident39 Ų3973.4 Ų73.424%0.23642%0.42CS..EExtended strand (participates in β ladder)trans-124.2138.5-177.3620000111.9P218 A237 A238 Y239P218-V226 HydrophobicContact CB-CG2 4.38Å; V226-A237 HydrophobicContact CG2-CB 4.29Å; V226-A238 CarbonylContact C-O 3.55Å; V226-A238 WeakPolarHBondContact CA-O 3.38Å; V226-Y239 HydrophobicContact CB-CD1 3.74Å; V226-Y239 HydrophobicContact CB-CE1 3.67Å; V226-Y239 HydrophobicContact CB-CG 4.48Å; V226-Y239 HydrophobicContact CG2-CD1 3.77Å; V226-Y239 HydrophobicContact CG2-CD2 4.39Å; V226-Y239 HydrophobicContact CG2-CE1 3.39Å; V226-Y239 HydrophobicContact CG2-CE2 4.05Å; V226-Y239 HydrophobicContact CG2-CG 4.25Å
227Q81.3Confident77.4Confident136 Ų13672 Ų7264%0.63641%0.405SS*.EExtended strand (participates in β ladder)trans-132.5128.7-179.4-62.1-1790.300110.5A237 A238Q227-A237 WeakPolarHBondContact O-CA 3.46Å; Q227-A238 PolarHBondContact N-O 2.89Å; Q227-A238 PolarHBondContact O-N 2.72Å
228F81.7Confident77.8Confident95 Ų9568.7 Ų68.742%0.41739%0.386SS..EExtended strand (participates in β ladder)trans-155.2163-179.872.2-77.2000110.4P217 P218 T231 A237P217-F228 HydrophobicContact CB-CZ 4.33Å; P218-F228 VanDerWaalsContact CD-CZ 3.44Å; P218-F228 HydrophobicContact CG-CB 4.08Å; P218-F228 HydrophobicContact CG-CD1 3.65Å; P218-F228 HydrophobicContact CG-CD2 3.92Å; P218-F228 HydrophobicContact CG-CE1 4.03Å; P218-F228 HydrophobicContact CG-CE2 4.27Å; P218-F228 HydrophobicContact CG-CG 3.6Å; P218-F228 HydrophobicContact CG-CZ 4.33Å; F228-T231 HydrophobicContact CD2-CG2 4.36Å; F228-T231 HydrophobicContact CE2-CG2 3.85Å; F228-A237 HydrophobicContact CB-CB 3.77Å
229S70.1Confident78.1Confident122 Ų12268.1 Ų68.185%0.85338%0.382SS*.SBendtrans-126.2-16.8-176.757.40000115.6
230S74.6Confident78.3Confident44 Ų4469.7 Ų69.731%0.30839%0.391SS..  trans-150.5165.9177.3-175.70000110.9T232 S235S230-T232 PolarHBondContact OG-N 2.99Å; S230-T232 PolarHBondContact OG-OG1 2.81Å; S230-T232 VanDerWaalsContact OG-OG1 3.04Å; S230-S235 VanDerWaalsContact CB-OG 3.32Å; S230-S235 WeakPolarHBondContact CB-OG 3.48Å; S230-S235 VanDerWaalsContact O-CB 3.24Å; S230-S235 WeakPolarHBondContact O-CB 3.26Å; S230-S235 PolarHBondContact O-OG 3.11Å; S230-S235 PolarHBondContact OG-OG 2.76Å
231T75.6Confident78.5Confident54 Ų5463.8 Ų63.833%0.33137%0.366SS..  trans-124.67.7-178.258.70000113.3C215 G216 F228 C256C215-T231 PolarHBondContact N-O 2.82Å; G216-T231 VanDerWaalsContact O-CB 3.22Å; G216-T231 WeakPolarHBondContact O-CB 3.49Å; G216-T231 WeakPolarHBondContact O-CG2 3.27Å; F228-T231 HydrophobicContact CD2-CG2 4.36Å; F228-T231 HydrophobicContact CE2-CG2 3.85Å; T231-C256 PolarHBondContact O-SG 2.51Å; T231-C256 VanDerWaalsContact O-SG 3.39Å
232T76.5Confident78.6Confident81 Ų8166.8 Ų66.850%0.49738%0.379SS..SBendtrans-75.7153.5174.851.30000111.6S230 G234 S235 C256S230-T232 PolarHBondContact OG-N 2.99Å; S230-T232 PolarHBondContact OG-OG1 2.81Å; S230-T232 VanDerWaalsContact OG-OG1 3.04Å; T232-G234 PolarHBondContact O-N 2.92Å; T232-S235 PolarHBondContact N-OG 2.81Å; T232-S235 WeakPolarHBondContact O-CB 3.49Å; T232-S235 PolarHBondContact O-N 2.87Å; T232-S235 PolarHBondContact O-OG 3.42Å; T232-S235 PolarHBondContact OG1-OG 2.89Å; T232-C256 PolarHBondContact O-SG 3.28Å; T232-C256 VanDerWaalsContact O-SG 3.36Å
233P73.4Confident78.7Confident59 Ų5964.1 Ų64.138%0.38338%0.382SS..THydrogen-bonded Turntrans-47.5133.3172.4-30.837.8000112.8C256 T258P233-C256 VanDerWaalsContact CA-SG 3.52Å; P233-C256 VanDerWaalsContact N-SG 3.43Å; P233-T258 HydrophobicContact CB-CG2 4.21Å
234G73.2Confident78.3Confident55 Ų5560.2 Ų60.257%0.56737%0.368SS*.THydrogen-bonded Turntrans88.6-9.5-172.300000115.6T232 C256T232-G234 PolarHBondContact O-N 2.92Å; G234-C256 PolarHBondContact N-O 2.94Å
235S77.7Confident78.2Confident16 Ų1661.8 Ų61.811%0.11237%0.374CS..  trans-66.7147.9175.3-56.70000111.9S230 T232 I255 C256 W262S230-S235 VanDerWaalsContact CB-OG 3.32Å; S230-S235 WeakPolarHBondContact CB-OG 3.48Å; S230-S235 VanDerWaalsContact O-CB 3.24Å; S230-S235 WeakPolarHBondContact O-CB 3.26Å; S230-S235 PolarHBondContact O-OG 3.11Å; S230-S235 PolarHBondContact OG-OG 2.76Å; T232-S235 PolarHBondContact N-OG 2.81Å; T232-S235 WeakPolarHBondContact O-CB 3.49Å; T232-S235 PolarHBondContact O-N 2.87Å; T232-S235 PolarHBondContact O-OG 3.42Å; T232-S235 PolarHBondContact OG1-OG 2.89Å; S235-I255 CarbonylContact O-C 3.56Å; S235-I255 WeakPolarHBondContact O-CA 3.1Å; S235-C256 PolarHBondContact O-N 3.07Å; S235-W262 VanDerWaalsContact O-CZ3 3.32Å; S235-W262 WeakPolarHBondContact O-CZ3 3.29Å
236V80.6Confident78.1Confident62 Ų6259 Ų5938%0.37637%0.366SS..EExtended strand (participates in β ladder)trans-119.4137.5-178.8-171.90000110.9Q253 S254 I255V236-Q253 HydrophobicContact CG1-CB 3.92Å; V236-Q253 HydrophobicContact CG1-CG 4.23Å; V236-S254 CarbonylContact C-O 3.58Å; V236-S254 WeakPolarHBondContact CA-O 3.33Å; V236-I255 HydrophobicContact CG2-CG1 4.21Å; V236-I255 HydrophobicContact CG2-CG2 4.44Å
237A79.3Confident77.6Confident0 Ų058.1 Ų58.10%036%0.361CS..EExtended strand (participates in β ladder)trans-118.712417400000110P218 V226 Q227 F228 Y239 Q253 S254 W262P218-A237 HydrophobicContact CB-CB 3.8Å; P218-A237 HydrophobicContact CG-CB 3.49Å; P218-A237 VanDerWaalsContact CG-CB 3.49Å; V226-A237 HydrophobicContact CG2-CB 4.29Å; Q227-A237 WeakPolarHBondContact O-CA 3.46Å; F228-A237 HydrophobicContact CB-CB 3.77Å; A237-Y239 HydrophobicContact CB-CE2 4.12Å; A237-Y239 WeakPolarHBondContact O-CE2 3.32Å; A237-Q253 CarbonylContact O-C 3.57Å; A237-Q253 WeakPolarHBondContact O-CA 3.38Å; A237-S254 PolarHBondContact N-O 3.13Å; A237-S254 PolarHBondContact O-N 3.33Å; A237-W262 HydrophobicContact CB-CE3 4.32Å; A237-W262 HydrophobicContact CB-CH2 4.16Å; A237-W262 HydrophobicContact CB-CZ3 3.78Å
238A83.6Confident77.1Confident33 Ų3355.6 Ų55.627%0.27336%0.355SS..EExtended strand (participates in β ladder)trans-101.2141.4-178.800000111.5V226 Q227 T252 Q253V226-A238 CarbonylContact C-O 3.55Å; V226-A238 WeakPolarHBondContact CA-O 3.38Å; Q227-A238 PolarHBondContact N-O 2.89Å; Q227-A238 PolarHBondContact O-N 2.72Å; A238-T252 CarbonylContact C-O 3.51Å; A238-T252 WeakPolarHBondContact CA-O 3.4Å; A238-Q253 HydrophobicContact CB-CG 4.27Å
239Y82.5Confident76.3Confident4 Ų455.2 Ų55.22%0.01636%0.362CS..EExtended strand (participates in β ladder)trans-123.4130.7-175.3-62.7-99000110.9P218 P219 V221 E225 V226 A237 T252 P265 P266P218-Y239 VanDerWaalsContact CB-OH 3.29Å; P218-Y239 WeakPolarHBondContact CB-OH 3.39Å; P219-Y239 WeakPolarHBondContact O-CE1 3.31Å; P219-Y239 PolarHBondContact O-OH 3.35Å; V221-Y239 HydrophobicContact CB-CD1 4.17Å; V221-Y239 HydrophobicContact CB-CE1 4.46Å; V221-Y239 HydrophobicContact CG2-CD1 3.76Å; V221-Y239 HydrophobicContact CG2-CE1 3.77Å; E225-Y239 CarbonylContact O-C 3.56Å; E225-Y239 VanDerWaalsContact O-CA 3.31Å; E225-Y239 WeakPolarHBondContact O-CA 3.49Å; V226-Y239 HydrophobicContact CB-CD1 3.74Å; V226-Y239 HydrophobicContact CB-CE1 3.67Å; V226-Y239 HydrophobicContact CB-CG 4.48Å; V226-Y239 HydrophobicContact CG2-CD1 3.77Å; V226-Y239 HydrophobicContact CG2-CD2 4.39Å; V226-Y239 HydrophobicContact CG2-CE1 3.39Å; V226-Y239 HydrophobicContact CG2-CE2 4.05Å; V226-Y239 HydrophobicContact CG2-CG 4.25Å; A237-Y239 HydrophobicContact CB-CE2 4.12Å; A237-Y239 WeakPolarHBondContact O-CE2 3.32Å; Y239-T252 PolarHBondContact N-O 3.36Å; Y239-T252 WeakPolarHBondContact O-CB 3.45Å; Y239-P265 HydrophobicContact CE1-CB 4.16Å; Y239-P265 HydrophobicContact CE2-CB 4.1Å; Y239-P266 HydrophobicContact CD2-CG 4.15Å; Y239-P266 HydrophobicContact CG-CG 4.03Å
240V81.3Confident75.8Confident92 Ų9260.5 Ų60.556%0.55836%0.363SS*.EExtended strand (participates in β ladder)trans-118.7117-180-176.80000109.5A224 E225A224-V240 CarbonylContact C-O 3.58Å; A224-V240 WeakPolarHBondContact CA-O 3.45Å; E225-V240 PolarHBondContact N-O 2.82Å; E225-V240 PolarHBondContact O-N 2.91Å
241C82.6Confident75.2Confident28 Ų2861.4 Ų61.419%0.18937%0.373CS..EExtended strand (participates in β ladder)trans-69.6147.2177.2-59.70000111.9H223 F245 C268H223-C241 WeakPolarHBondContact O-CA 3.48Å; C241-F245 HydrophobicContact CB-CB 4.18Å; C241-C268 WeakPolarHBondContact CA-SG 3.41Å; C241-C268 HydrophobicContact CB-CB 3.79Å; C241-C268 WeakPolarHBondContact CB-SG 3.06Å; C241-C268 WeakPolarHBondContact SG-CB 3.5Å; C241-C268 CovalentContact SG-SG 2.04Å; C241-C268 PolarHBondContact SG-SG 2.89Å
242H81.3Confident74.9Confident81 Ų8161.5 Ų61.538%0.37537%0.374SS..PPolyproline II helixtrans-69.3160.2174.4-61.4-167.3000111.1H223 A224 G244 F245H223-H242 PolarHBondContact O-CD2 3.44Å; H223-H242 VanDerWaalsContact O-CD2 3.26Å; H223-H242 PolarHBondContact O-N 3.06Å; A224-H242 PolarHBondContact N-CD2 3.32Å; A224-H242 PolarHBondContact N-NE2 2.88Å; H242-G244 PolarHBondContact O-N 2.81Å; H242-F245 WeakPolarHBondContact O-CB 3.11Å; H242-F245 PolarHBondContact O-N 3.16Å
243S74.6Confident74.9Confident119 Ų11963.1 Ų63.183%0.83238%0.376SS*.THydrogen-bonded Turntrans-57.1136.2178.945.20000112.6
244G70.5Confident75.2Confident14 Ų1460.3 Ų60.314%0.14436%0.358CS..THydrogen-bonded Turntrans86.4-3-171.800000114.8H242 I271H242-G244 PolarHBondContact O-N 2.81Å; G244-I271 PolarHBondContact O-N 3.33Å
245F78.1Confident75.6Confident37 Ų3761.6 Ų61.616%0.16235%0.351CS..EExtended strand (participates in β ladder)trans-120.8153177.5-63-105.3000111.6H223 C241 H242 C268 K269 E270 I289H223-F245 HydrophobicContact CB-CD1 4.14Å; H223-F245 HydrophobicContact CB-CD2 4.36Å; H223-F245 HydrophobicContact CB-CE1 4.3Å; H223-F245 HydrophobicContact CB-CG 4.21Å; H223-F245 HydrophobicContact CB-CZ 4.49Å; H223-F245 AromaticContact CG-CE1 3.99Å; H223-F245 AromaticContact ND1-CZ 3.9Å; C241-F245 HydrophobicContact CB-CB 4.18Å; H242-F245 WeakPolarHBondContact O-CB 3.11Å; H242-F245 PolarHBondContact O-N 3.16Å; F245-C268 HydrophobicContact CB-CB 4.18Å; F245-K269 CarbonylContact C-O 3.57Å; F245-K269 VanDerWaalsContact CA-O 3.24Å; F245-K269 WeakPolarHBondContact CA-O 3.3Å; F245-E270 HydrophobicContact CD1-CB 4.36Å; F245-E270 VanDerWaalsContact CD1-N 3.35Å; F245-E270 HydrophobicContact CE1-CB 4.11Å; F245-I289 HydrophobicContact CE2-CG2 3.73Å; F245-I289 HydrophobicContact CZ-CG2 4.25Å
246T79Confident75.6Confident68 Ų6861 Ų6142%0.41735%0.346SS..EExtended strand (participates in β ladder)trans-134.8147.9-179.3-168.50000111.6C268 K269 I271T246-C268 WeakPolarHBondContact O-CA 3.45Å; T246-K269 PolarHBondContact N-O 3.11Å; T246-K269 PolarHBondContact O-N 3.24Å; T246-I271 HydrophobicContact CG2-CG1 3.98Å
247S71.6Confident75.3Confident20 Ų2059.4 Ų59.414%0.1434%0.342CS..EExtended strand (participates in β ladder)trans-79.9128.8-175.649.10000112.4P249 T252S247-P249 CarbonylContact C-O 3.55Å; S247-P249 VanDerWaalsContact C-O 3.31Å; S247-P249 CarbonylContact O-C 3.58Å; S247-T252 WeakPolarHBondContact OG-CG2 3.43Å
248V71.9Confident74.8Confident83 Ų8365.3 Ų65.350%0.50338%0.379SS..EExtended strand (participates in β ladder)trans-126.9119.3172.7-173.50000108.9V267 K269V248-V267 PolarHBondContact N-O 2.99Å; V248-V267 PolarHBondContact O-N 2.66Å; V248-K269 HydrophobicContact CG2-CB 4.49Å
249P63.7Low74.1Confident88 Ų8871.8 Ų71.857%0.57140%0.404SS*.SBendcis-63.4169.6-10.130.9-36.9000112.4S247 A251S247-P249 CarbonylContact C-O 3.55Å; S247-P249 VanDerWaalsContact C-O 3.31Å; S247-P249 CarbonylContact O-C 3.58Å; P249-A251 PolarHBondContact O-N 2.97Å
250R60.3Low73.3Confident233 Ų23372.2 Ų72.288%0.87941%0.409SS*.SBendtrans-61-13179.2-82-175.4175.1167.8-1.7114.8T252R250-T252 PolarHBondContact O-N 2.99Å; R250-T252 VanDerWaalsContact O-N 3.08Å
251A62.2Low72.8Confident62 Ų6275.1 Ų75.151%0.51242%0.416SS..  trans-69.6101.617600000110P249 Q253P249-A251 PolarHBondContact O-N 2.97Å; A251-Q253 PolarHBondContact O-N 2.84Å
252T69.8Low72.6Confident57 Ų5775.4 Ų75.435%0.3541%0.414SS..  trans-78.712.9179.747.10000113.8A238 Y239 S247 R250A238-T252 CarbonylContact C-O 3.51Å; A238-T252 WeakPolarHBondContact CA-O 3.4Å; Y239-T252 PolarHBondContact N-O 3.36Å; Y239-T252 WeakPolarHBondContact O-CB 3.45Å; S247-T252 WeakPolarHBondContact OG-CG2 3.43Å; R250-T252 PolarHBondContact O-N 2.99Å; R250-T252 VanDerWaalsContact O-N 3.08Å
253Q76.8Confident72.5Confident115 Ų11575 Ų7554%0.53742%0.417SS..EExtended strand (participates in β ladder)trans-131.9137.6-169.7-65.8178.10.300111V236 A237 A238 A251V236-Q253 HydrophobicContact CG1-CB 3.92Å; V236-Q253 HydrophobicContact CG1-CG 4.23Å; A237-Q253 CarbonylContact O-C 3.57Å; A237-Q253 WeakPolarHBondContact O-CA 3.38Å; A238-Q253 HydrophobicContact CB-CG 4.27Å; A251-Q253 PolarHBondContact O-N 2.84Å
254S78.6Confident72.6Confident0 Ų078.3 Ų78.30%042%0.419CS..EExtended strand (participates in β ladder)trans-115.2145169.5176.60000109.8V236 A237 T263V236-S254 CarbonylContact C-O 3.58Å; V236-S254 WeakPolarHBondContact CA-O 3.33Å; A237-S254 PolarHBondContact N-O 3.13Å; A237-S254 PolarHBondContact O-N 3.33Å; S254-T263 VanDerWaalsContact CA-OG1 3.32Å; S254-T263 WeakPolarHBondContact CA-OG1 3.33Å; S254-T263 PolarHBondContact OG-N 2.88Å; S254-T263 PolarHBondContact OG-O 3.22Å; S254-T263 PolarHBondContact OG-OG1 3.26Å
255I81.3Confident72.8Confident82 Ų8279.6 Ų79.642%0.42143%0.425SS..EExtended strand (participates in β ladder)trans-118.5138.8-177.1-47.3-176.5000109.1S235 V236 G257 W262 T263S235-I255 CarbonylContact O-C 3.56Å; S235-I255 WeakPolarHBondContact O-CA 3.1Å; V236-I255 HydrophobicContact CG2-CG1 4.21Å; V236-I255 HydrophobicContact CG2-CG2 4.44Å; I255-G257 PolarHBondContact O-N 2.74Å; I255-W262 VanDerWaalsContact C-CE3 3.49Å; I255-T263 PolarHBondContact N-OG1 2.8Å; I255-T263 PolarHBondContact O-N 2.03Å; I255-T263 PolarHBondContact O-OG1 3.07Å
256C78.8Confident72.8Confident2 Ų278 Ų781%0.01442%0.418CS..BIsolated β-bridgetrans-76117.9172167.60000110.2C215 T231 T232 P233 G234 S235 W262C215-C256 HydrophobicContact CB-CB 3.77Å; C215-C256 WeakPolarHBondContact CB-SG 3.34Å; C215-C256 VanDerWaalsContact SG-C 3.57Å; C215-C256 WeakPolarHBondContact SG-CA 3.32Å; C215-C256 WeakPolarHBondContact SG-CB 3.39Å; C215-C256 CovalentContact SG-SG 2.02Å; C215-C256 PolarHBondContact SG-SG 3.27Å; T231-C256 PolarHBondContact O-SG 2.51Å; T231-C256 VanDerWaalsContact O-SG 3.39Å; T232-C256 PolarHBondContact O-SG 3.28Å; T232-C256 VanDerWaalsContact O-SG 3.36Å; P233-C256 VanDerWaalsContact CA-SG 3.52Å; P233-C256 VanDerWaalsContact N-SG 3.43Å; G234-C256 PolarHBondContact N-O 2.94Å; S235-C256 PolarHBondContact O-N 3.07Å; C256-W262 HydrophobicContact CB-CD2 4.04Å; C256-W262 HydrophobicContact CB-CE3 3.96Å; C256-W262 HydrophobicContact CB-CH2 3.91Å; C256-W262 HydrophobicContact CB-CZ2 3.99Å; C256-W262 HydrophobicContact CB-CZ3 3.89Å; C256-W262 VanDerWaalsContact N-CE3 3.34Å
257G72.8Confident72.8Confident29 Ų2979.4 Ų79.430%0.29943%0.426SS..  trans-80.9161.5-179.800000113.9C215 I255 Q259 G260 E261C215-G257 PolarHBondContact SG-N 2.97Å; C215-G257 PolarHBondContact SG-O 2.99Å; C215-G257 VanDerWaalsContact SG-O 3.39Å; I255-G257 PolarHBondContact O-N 2.74Å; G257-Q259 PolarHBondContact O-N 3.09Å; G257-Q259 VanDerWaalsContact O-N 3.14Å; G257-G260 PolarHBondContact O-N 3.4Å; G257-G260 VanDerWaalsContact O-N 3.09Å; G257-E261 PolarHBondContact N-O 2.87Å
258T70Confident73.2Confident124 Ų12479 Ų7976%0.76142%0.424SS*.THydrogen-bonded Turntrans-68.9-5.8178.451.20000114.7P233P233-T258 HydrophobicContact CB-CG2 4.21Å
259Q68.7Low73.4Confident170 Ų17081.8 Ų81.879%0.79443%0.429SS*.THydrogen-bonded Turntrans-94.11.7172.5-65.8-174.8-13.200113.3G257G257-Q259 PolarHBondContact O-N 3.09Å; G257-Q259 VanDerWaalsContact O-N 3.14Å
260G64.9Low74Confident12 Ų1280.9 Ų80.912%0.12442%0.417CS..SBendtrans82.226.117900000115.3C215 G257C215-G260 WeakPolarHBondContact CA-O 3.38Å; C215-G260 VanDerWaalsContact SG-C 3.53Å; G257-G260 PolarHBondContact O-N 3.4Å; G257-G260 VanDerWaalsContact O-N 3.09Å
261E71.8Confident74.7Confident154 Ų15473.1 Ų73.172%0.7239%0.392SS*.  trans-127.8149.8170.4-67.4-165.6152.100112C215 G257C215-E261 VanDerWaalsContact SG-C 3.54Å; C215-E261 PolarHBondContact SG-N 2.95Å; C215-E261 VanDerWaalsContact SG-N 3.42Å; C215-E261 PolarHBondContact SG-O 2.99Å; C215-E261 VanDerWaalsContact SG-O 3.35Å; G257-E261 PolarHBondContact N-O 2.87Å
262W78.5Confident75.4Confident34 Ų3473.2 Ų73.213%0.12938%0.384CS..BIsolated β-bridgetrans-80.4139.8170.4-70.593.5000110.9C215 G216 P218 S235 A237 I255 C256C215-W262 HydrophobicContact CB-CD2 4.41Å; C215-W262 HydrophobicContact CB-CG 4.17Å; C215-W262 PolarHBondContact O-NE1 2.94Å; G216-W262 PolarHBondContact O-NE1 2.82Å; P218-W262 HydrophobicContact CB-CD2 4.37Å; P218-W262 HydrophobicContact CG-CD2 4.38Å; P218-W262 HydrophobicContact CG-CH2 3.98Å; P218-W262 HydrophobicContact CG-CZ2 3.68Å; P218-W262 HydrophobicContact CG-CZ3 4.42Å; S235-W262 VanDerWaalsContact O-CZ3 3.32Å; S235-W262 WeakPolarHBondContact O-CZ3 3.29Å; A237-W262 HydrophobicContact CB-CE3 4.32Å; A237-W262 HydrophobicContact CB-CH2 4.16Å; A237-W262 HydrophobicContact CB-CZ3 3.78Å; I255-W262 VanDerWaalsContact C-CE3 3.49Å; C256-W262 HydrophobicContact CB-CD2 4.04Å; C256-W262 HydrophobicContact CB-CE3 3.96Å; C256-W262 HydrophobicContact CB-CH2 3.91Å; C256-W262 HydrophobicContact CB-CZ2 3.99Å; C256-W262 HydrophobicContact CB-CZ3 3.89Å; C256-W262 VanDerWaalsContact N-CE3 3.34Å
263T79.3Confident75.8Confident73 Ų7372.3 Ų72.345%0.44838%0.376SS..PPolyproline II helixtrans-58.1156.816954.40000111.9S254 I255S254-T263 VanDerWaalsContact CA-OG1 3.32Å; S254-T263 WeakPolarHBondContact CA-OG1 3.33Å; S254-T263 PolarHBondContact OG-N 2.88Å; S254-T263 PolarHBondContact OG-O 3.22Å; S254-T263 PolarHBondContact OG-OG1 3.26Å; I255-T263 PolarHBondContact N-OG1 2.8Å; I255-T263 PolarHBondContact O-N 2.03Å; I255-T263 PolarHBondContact O-OG1 3.07Å
264Q76.6Confident75.9Confident187 Ų18767.9 Ų67.987%0.87436%0.357SS*.PPolyproline II helixtrans-56.8124.1-177.5-65.2-176.5400111.6
265P74.4Confident76Confident42 Ų4274.7 Ų74.727%0.27339%0.393SS..PPolyproline II helixtrans-73155.7178.833.8-38.6000111.1P219 V221 Y239P219-P265 HydrophobicContact CG-CB 4.45Å; P219-P265 HydrophobicContact CG-CG 3.93Å; V221-P265 HydrophobicContact CG2-CB 3.73Å; V221-P265 HydrophobicContact CG2-CG 4Å; Y239-P265 HydrophobicContact CE1-CB 4.16Å; Y239-P265 HydrophobicContact CE2-CB 4.1Å
266P77Confident75.6Confident3 Ų375 Ų752%0.01940%0.402CS..PPolyproline II helixtrans-65.1148.1177.828.5-36.5000111.9V221 Y239V221-P266 WeakPolarHBondContact CG1-O 3.45Å; V221-P266 WeakPolarHBondContact CG2-O 3.2Å; Y239-P266 HydrophobicContact CD2-CG 4.15Å; Y239-P266 HydrophobicContact CG-CG 4.03Å
267V79Confident75.6Confident97 Ų9782.8 Ų82.859%0.58844%0.439SS*.EExtended strand (participates in β ladder)trans-98.7122172-177.20000109.4V248 K269V248-V267 PolarHBondContact N-O 2.99Å; V248-V267 PolarHBondContact O-N 2.66Å; V267-K269 PolarHBondContact O-N 2.62Å
268C80Confident75.9Confident12 Ų1281.7 Ų81.78%0.08143%0.427CS..EExtended strand (participates in β ladder)trans-80.4113173.1-65.10000110.2C241 F245 T246C241-C268 WeakPolarHBondContact CA-SG 3.41Å; C241-C268 HydrophobicContact CB-CB 3.79Å; C241-C268 WeakPolarHBondContact CB-SG 3.06Å; C241-C268 WeakPolarHBondContact SG-CB 3.5Å; C241-C268 CovalentContact SG-SG 2.04Å; C241-C268 PolarHBondContact SG-SG 2.89Å; F245-C268 HydrophobicContact CB-CB 4.18Å; T246-C268 WeakPolarHBondContact O-CA 3.45Å
269K76.4Confident76.5Confident141 Ų14176.8 Ų76.861%0.61340%0.397SS*.EExtended strand (participates in β ladder)trans-108.5142.4-179.9-172.4-179.9176.9-177.70110.5F245 T246 V248 V267 I271F245-K269 CarbonylContact C-O 3.57Å; F245-K269 VanDerWaalsContact CA-O 3.24Å; F245-K269 WeakPolarHBondContact CA-O 3.3Å; T246-K269 PolarHBondContact N-O 3.11Å; T246-K269 PolarHBondContact O-N 3.24Å; V248-K269 HydrophobicContact CG2-CB 4.49Å; V267-K269 PolarHBondContact O-N 2.62Å; K269-I271 PolarHBondContact O-N 2.62Å
270E76.4Confident76.8Confident70 Ų7072 Ų7233%0.32738%0.376SS..EExtended strand (participates in β ladder)trans-53.4136.3172.9-167.5-142.6-157.900110.4F245 N287 I289F245-E270 HydrophobicContact CD1-CB 4.36Å; F245-E270 VanDerWaalsContact CD1-N 3.35Å; F245-E270 HydrophobicContact CE1-CB 4.11Å; E270-N287 PolarHBondContact OE1-ND2 2.9Å; E270-I289 HydrophobicContact CG-CG1 4.32Å
271I75Confident77.1Confident70 Ų7075 Ų7536%0.35939%0.39SS..  trans-74.5137167.6-62.1171.1000107.7G244 T246 K269 E273 N287G244-I271 PolarHBondContact O-N 3.33Å; T246-I271 HydrophobicContact CG2-CG1 3.98Å; K269-I271 PolarHBondContact O-N 2.62Å; I271-E273 VanDerWaalsContact O-OE2 3.07Å; I271-N287 PolarHBondContact O-ND2 2.82Å
272N76.5Confident77Confident63 Ų6370 Ų7034%0.33738%0.38SS..  trans-10890.9173.4-170.3-62.8000109.4C274 L275 N287N272-C274 PolarHBondContact O-N 3.44Å; N272-C274 WeakPolarHBondContact OD1-CB 3.02Å; N272-C274 PolarHBondContact OD1-N 2.96Å; N272-L275 HydrophobicContact CB-CD1 3.99Å; N272-L275 HydrophobicContact CB-CG 4.04Å; N272-L275 WeakPolarHBondContact O-CB 3.44Å; N272-L275 PolarHBondContact O-N 2.92Å; N272-L275 VanDerWaalsContact O-N 3.14Å; N272-L275 PolarHBondContact OD1-N 3.11Å; N272-N287 VanDerWaalsContact C-OD1 3.28Å; N272-N287 WeakPolarHBondContact CA-OD1 3.26Å; N272-N287 PolarHBondContact OD1-OD1 3.32Å
273E78.9Confident77.1Confident38 Ų3869 Ų6918%0.17838%0.379CS..G310 helixtrans-55.8-31.4178.3-65.682.2175.200112.4I271 L275 S276 N287 G290 S291 Y292I271-E273 VanDerWaalsContact O-OE2 3.07Å; E273-L275 PolarHBondContact O-N 3.16Å; E273-S276 WeakPolarHBondContact O-CB 3.47Å; E273-S276 PolarHBondContact O-N 2.83Å; E273-S276 VanDerWaalsContact O-N 3.08Å; E273-S276 PolarHBondContact O-OG 3Å; E273-N287 PolarHBondContact N-OD1 2.91Å; E273-N287 PolarHBondContact OE2-ND2 3.47Å; E273-N287 PolarHBondContact OE2-OD1 2.88Å; E273-G290 WeakPolarHBondContact OE1-CA 3.4Å; E273-G290 PolarHBondContact OE1-N 2.83Å; E273-S291 PolarHBondContact OE1-N 2.95Å; E273-Y292 HydrophobicContact CB-CD1 4.11Å
274C79.9Confident77.2Confident22 Ų2269.2 Ų69.215%0.14938%0.384CS..G310 helixtrans-65.3-18.8178.1-74.30000114.5N272 S276 Q277 C285 N287N272-C274 PolarHBondContact O-N 3.44Å; N272-C274 WeakPolarHBondContact OD1-CB 3.02Å; N272-C274 PolarHBondContact OD1-N 2.96Å; C274-S276 PolarHBondContact O-N 2.73Å; C274-Q277 PolarHBondContact O-N 3.27Å; C274-C285 WeakPolarHBondContact CA-SG 3.26Å; C274-C285 HydrophobicContact CB-CB 3.71Å; C274-C285 WeakPolarHBondContact CB-SG 3.02Å; C274-C285 WeakPolarHBondContact SG-CB 3.45Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 2.8Å; C274-N287 PolarHBondContact N-OD1 2.75Å; C274-N287 PolarHBondContact SG-N 2.81Å; C274-N287 VanDerWaalsContact SG-N 3.38Å
275L78.9Confident77.5Confident143 Ų14362.4 Ų62.475%0.74936%0.356SS*.G310 helixtrans-61.9-20.5170.9-65.9175000113N272 E273 Q277N272-L275 HydrophobicContact CB-CD1 3.99Å; N272-L275 HydrophobicContact CB-CG 4.04Å; N272-L275 WeakPolarHBondContact O-CB 3.44Å; N272-L275 PolarHBondContact O-N 2.92Å; N272-L275 VanDerWaalsContact O-N 3.14Å; N272-L275 PolarHBondContact OD1-N 3.11Å; E273-L275 PolarHBondContact O-N 3.16Å; L275-Q277 PolarHBondContact O-N 3.39Å
276S74Confident77.8Confident88 Ų8865.1 Ų65.162%0.61537%0.365SS*.G310 helixtrans-76.8-0.6173.669.80000114.4E273 C274E273-S276 WeakPolarHBondContact O-CB 3.47Å; E273-S276 PolarHBondContact O-N 2.83Å; E273-S276 VanDerWaalsContact O-N 3.08Å; E273-S276 PolarHBondContact O-OG 3Å; C274-S276 PolarHBondContact O-N 2.73Å
277Q77.5Confident77.9Confident166 Ų16667 Ų6778%0.77638%0.375SS*.  trans48.655.8-175.3-63.1-179.872.800113.4C274 L275 C279C274-Q277 PolarHBondContact O-N 3.27Å; L275-Q277 PolarHBondContact O-N 3.39Å; Q277-C279 VanDerWaalsContact C-N 3.29Å; Q277-C279 PolarHBondContact O-N 3.35Å
278P79.1Confident77.8Confident7 Ų767.5 Ų67.55%0.04537%0.37CS..  trans-75.4-13.3-171.332.1-36.6000114C285 Y292 R304P278-C285 VanDerWaalsContact CG-SG 3.56Å; P278-Y292 HydrophobicContact CB-CD1 4.39Å; P278-Y292 HydrophobicContact CB-CD2 3.99Å; P278-Y292 HydrophobicContact CB-CE1 3.99Å; P278-Y292 HydrophobicContact CB-CE2 3.56Å; P278-Y292 HydrophobicContact CB-CG 4.4Å; P278-Y292 HydrophobicContact CG-CD1 4.1Å; P278-Y292 HydrophobicContact CG-CD2 3.56Å; P278-Y292 HydrophobicContact CG-CE1 4.21Å; P278-Y292 HydrophobicContact CG-CE2 3.7Å; P278-Y292 HydrophobicContact CG-CG 3.78Å; P278-R304 VanDerWaalsContact O-CZ 3.23Å; P278-R304 PolarHBondContact O-NE 3.12Å; P278-R304 PolarHBondContact O-NH2 3.22Å
279C82.7Confident77.7Confident21 Ų2172.3 Ų72.314%0.14239%0.393CS..  trans-91.6134.2-177.3-52.50000111.6Q277 G283 C285 C294Q277-C279 VanDerWaalsContact C-N 3.29Å; Q277-C279 PolarHBondContact O-N 3.35Å; C279-G283 VanDerWaalsContact CB-O 3.24Å; C279-G283 WeakPolarHBondContact CB-O 3.29Å; C279-C285 VanDerWaalsContact SG-CB 3.53Å; C279-C294 WeakPolarHBondContact CA-SG 3.27Å; C279-C294 HydrophobicContact CB-CB 3.84Å; C279-C294 WeakPolarHBondContact CB-SG 3.38Å; C279-C294 WeakPolarHBondContact SG-CA 3.29Å; C279-C294 WeakPolarHBondContact SG-CB 3.35Å; C279-C294 CovalentContact SG-SG 2.04Å; C279-C294 PolarHBondContact SG-SG 3.23Å
280L75.9Confident77.2Confident69 Ų6967.9 Ų67.936%0.36139%0.388SS..  trans-96.2175-179.6-56.3-179.3000110.9G282 G283 R304 Q306L280-G282 PolarHBondContact O-N 2.84Å; L280-G283 PolarHBondContact O-N 2.84Å; L280-R304 WeakPolarHBondContact CB-O 3.26Å; L280-R304 PolarHBondContact N-O 2.97Å; L280-Q306 HydrophobicContact CD1-CB 3.93Å
281N71.8Confident77Confident76 Ų7667.1 Ų67.141%0.40639%0.39SS..THydrogen-bonded Turntrans48.935.2173.6-57.41.1000114.4G283 F300 C305N281-G283 VanDerWaalsContact C-N 3.27Å; N281-G283 PolarHBondContact O-N 2.83Å; N281-F300 HydrophobicContact CB-CD1 3.74Å; N281-F300 HydrophobicContact CB-CD2 3.98Å; N281-F300 HydrophobicContact CB-CE1 3.73Å; N281-F300 HydrophobicContact CB-CE2 3.97Å; N281-F300 HydrophobicContact CB-CG 3.85Å; N281-F300 HydrophobicContact CB-CZ 3.84Å; N281-F300 WeakPolarHBondContact ND2-CD1 3.34Å; N281-F300 WeakPolarHBondContact ND2-CE1 3.42Å; N281-C305 WeakPolarHBondContact CB-O 3.38Å; N281-C305 PolarHBondContact ND2-O 3.5Å
282G69.4Low77.3Confident49 Ų4968.4 Ų68.451%0.50539%0.391SS..THydrogen-bonded Turntrans7016.2179.300000115.4L280 K297L280-G282 PolarHBondContact O-N 2.84Å; G282-K297 WeakPolarHBondContact O-CE 3.28Å
283G80.1Confident77.5Confident11 Ų1170.5 Ų70.511%0.11340%0.397CS..PPolyproline II helixtrans-67.7140.8172.900000112.8C279 L280 N281 V295C279-G283 VanDerWaalsContact CB-O 3.24Å; C279-G283 WeakPolarHBondContact CB-O 3.29Å; L280-G283 PolarHBondContact O-N 2.84Å; N281-G283 VanDerWaalsContact C-N 3.27Å; N281-G283 PolarHBondContact O-N 2.83Å; G283-V295 CarbonylContact C-O 3.59Å; G283-V295 VanDerWaalsContact CA-O 3.3Å; G283-V295 WeakPolarHBondContact CA-O 3.43Å
284S81.1Confident77.7Confident79 Ų7969.4 Ų69.455%0.55239%0.393SS*.EExtended strand (participates in β ladder)trans-80.9127.9-177.9-69.50000111.7V295S284-V295 PolarHBondContact N-O 3.02Å; S284-V295 PolarHBondContact O-N 3.2Å
285C83Confident77.8Confident43 Ų4371 Ų7129%0.29140%0.402SS..EExtended strand (participates in β ladder)trans-85.8131.1175.6-165.80000111.6C274 P278 C279C274-C285 WeakPolarHBondContact CA-SG 3.26Å; C274-C285 HydrophobicContact CB-CB 3.71Å; C274-C285 WeakPolarHBondContact CB-SG 3.02Å; C274-C285 WeakPolarHBondContact SG-CB 3.45Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 2.8Å; P278-C285 VanDerWaalsContact CG-SG 3.56Å; C279-C285 VanDerWaalsContact SG-CB 3.53Å
286Q82.3Confident77.9Confident99 Ų9966.1 Ų66.146%0.46338%0.38SS..EExtended strand (participates in β ladder)trans-111.5121.8171.1-65-178.5-19.300109.6K293 V295Q286-K293 PolarHBondContact N-O 3.21Å; Q286-K293 PolarHBondContact O-N 2.04Å; Q286-V295 HydrophobicContact CG-CG2 4.19Å
287N78.4Confident77.8Confident42 Ų4267.9 Ų67.923%0.22538%0.376CS..EExtended strand (participates in β ladder)trans-73.6151177.6-144.476.5000111.3E270 I271 N272 E273 C274E270-N287 PolarHBondContact OE1-ND2 2.9Å; I271-N287 PolarHBondContact O-ND2 2.82Å; N272-N287 VanDerWaalsContact C-OD1 3.28Å; N272-N287 WeakPolarHBondContact CA-OD1 3.26Å; N272-N287 PolarHBondContact OD1-OD1 3.32Å; E273-N287 PolarHBondContact N-OD1 2.91Å; E273-N287 PolarHBondContact OE2-ND2 3.47Å; E273-N287 PolarHBondContact OE2-OD1 2.88Å; C274-N287 PolarHBondContact N-OD1 2.75Å; C274-N287 PolarHBondContact SG-N 2.81Å; C274-N287 VanDerWaalsContact SG-N 3.38Å
288K77.2Confident77.6Confident109 Ų10967.6 Ų67.647%0.47438%0.38SS..EExtended strand (participates in β ladder)trans-144.5153169.5-62.6-172.7173.5-164.10108G290 S291K288-G290 PolarHBondContact O-N 2.79Å; K288-S291 CarbonylContact C-O 3.57Å; K288-S291 WeakPolarHBondContact CA-O 3.25Å; K288-S291 WeakPolarHBondContact CB-O 3.43Å; K288-S291 WeakPolarHBondContact CB-OG 3.35Å; K288-S291 PolarHBondContact N-O 2.82Å; K288-S291 PolarHBondContact O-N 3.26Å
289I76.6Confident77.1Confident113 Ų11367.9 Ų67.958%0.57938%0.384SS*.THydrogen-bonded Turntrans-57.3110.6178.4-58.3168.7000109.2F245 E270F245-I289 HydrophobicContact CE2-CG2 3.73Å; F245-I289 HydrophobicContact CZ-CG2 4.25Å; E270-I289 HydrophobicContact CG-CG1 4.32Å
290G67.3Low76.6Confident48 Ų4868.7 Ų68.750%0.49539%0.385SS..THydrogen-bonded Turntrans74.614.4-179.100000116.2E273 K288E273-G290 WeakPolarHBondContact OE1-CA 3.4Å; E273-G290 PolarHBondContact OE1-N 2.83Å; K288-G290 PolarHBondContact O-N 2.79Å
291S71.8Confident76.6Confident54 Ų5466.7 Ų66.738%0.37838%0.382SS..EExtended strand (participates in β ladder)trans-164.5168.3179.555.40000113.7E273 K288E273-S291 PolarHBondContact OE1-N 2.95Å; K288-S291 CarbonylContact C-O 3.57Å; K288-S291 WeakPolarHBondContact CA-O 3.25Å; K288-S291 WeakPolarHBondContact CB-O 3.43Å; K288-S291 WeakPolarHBondContact CB-OG 3.35Å; K288-S291 PolarHBondContact N-O 2.82Å; K288-S291 PolarHBondContact O-N 3.26Å
292Y80.3Confident76.7Confident96 Ų9664.8 Ų64.838%0.37638%0.38SS..EExtended strand (participates in β ladder)trans-127156.4171.765.2-89.7000111.8E273 P278E273-Y292 HydrophobicContact CB-CD1 4.11Å; P278-Y292 HydrophobicContact CB-CD1 4.39Å; P278-Y292 HydrophobicContact CB-CD2 3.99Å; P278-Y292 HydrophobicContact CB-CE1 3.99Å; P278-Y292 HydrophobicContact CB-CE2 3.56Å; P278-Y292 HydrophobicContact CB-CG 4.4Å; P278-Y292 HydrophobicContact CG-CD1 4.1Å; P278-Y292 HydrophobicContact CG-CD2 3.56Å; P278-Y292 HydrophobicContact CG-CE1 4.21Å; P278-Y292 HydrophobicContact CG-CE2 3.7Å; P278-Y292 HydrophobicContact CG-CG 3.78Å
293K81.9Confident77Confident107 Ų10771.9 Ų71.947%0.46540%0.397SS..EExtended strand (participates in β ladder)trans-124.4126.1167.2-177.4-173174.6-168.30109.6Q286Q286-K293 PolarHBondContact N-O 3.21Å; Q286-K293 PolarHBondContact O-N 2.04Å
294C83.6Confident77Confident15 Ų1576.3 Ų76.310%0.10141%0.411CS..EExtended strand (participates in β ladder)trans-81.6137.4165.8-61.60000110.8C279C279-C294 WeakPolarHBondContact CA-SG 3.27Å; C279-C294 HydrophobicContact CB-CB 3.84Å; C279-C294 WeakPolarHBondContact CB-SG 3.38Å; C279-C294 WeakPolarHBondContact SG-CA 3.29Å; C279-C294 WeakPolarHBondContact SG-CB 3.35Å; C279-C294 CovalentContact SG-SG 2.04Å; C279-C294 PolarHBondContact SG-SG 3.23Å
295V81.8Confident76.8Confident56 Ų5672.6 Ų72.634%0.33938%0.384SS..EExtended strand (participates in β ladder)trans-111.7112.7167.6-1800000106.7G283 S284 Q286G283-V295 CarbonylContact C-O 3.59Å; G283-V295 VanDerWaalsContact CA-O 3.3Å; G283-V295 WeakPolarHBondContact CA-O 3.43Å; S284-V295 PolarHBondContact N-O 3.02Å; S284-V295 PolarHBondContact O-N 3.2Å; Q286-V295 HydrophobicContact CG-CG2 4.19Å
296C79.7Confident76.4Confident40 Ų4075 Ų7527%0.2739%0.391SS..PPolyproline II helixtrans-78.5155-176.7-490000110.7F300 C305C296-F300 HydrophobicContact CB-CB 4.27Å; C296-F300 WeakPolarHBondContact CB-O 3.42Å; C296-C305 WeakPolarHBondContact CA-SG 3.22Å; C296-C305 HydrophobicContact CB-CB 3.72Å; C296-C305 WeakPolarHBondContact CB-SG 3.29Å; C296-C305 PolarHBondContact N-SG 2.87Å; C296-C305 VanDerWaalsContact N-SG 3.41Å; C296-C305 WeakPolarHBondContact SG-CA 3.4Å; C296-C305 WeakPolarHBondContact SG-CB 3.36Å; C296-C305 CovalentContact SG-SG 2.04Å; C296-C305 PolarHBondContact SG-SG 2.9Å
297K72.3Confident75.9Confident125 Ų12574.8 Ų74.854%0.54339%0.392SS..PPolyproline II helixtrans-76.3159.4164.7-68.9177173.51770108.9G282 F300G282-K297 WeakPolarHBondContact O-CE 3.28Å; K297-F300 HydrophobicContact CB-CD2 4.46Å; K297-F300 PolarHBondContact O-N 3.35Å
298D73.2Confident75.4Confident160 Ų16076.4 Ų76.486%0.85640%0.401SS*.THydrogen-bonded Turntrans-53.6145.4168.4-51-61.3000109.7F300D298-F300 VanDerWaalsContact C-N 3.31Å; D298-F300 PolarHBondContact O-N 2.82Å
299G68.8Low75.1Confident13 Ų1373.3 Ų73.313%0.13440%0.396CS..THydrogen-bonded Turntrans83.4-14.1-167.800000115.7A309 E311G299-A309 WeakPolarHBondContact O-CB 3.39Å; G299-A309 PolarHBondContact O-N 2.89Å; G299-E311 WeakPolarHBondContact CA-OE1 3.43Å
300F72.9Confident74.8Confident38 Ų3871.4 Ų71.417%0.16739%0.387CS..EExtended strand (participates in β ladder)trans-123.9142.7-178.6-64.1-68000115N281 C296 K297 D298 I307 D308 P327N281-F300 HydrophobicContact CB-CD1 3.74Å; N281-F300 HydrophobicContact CB-CD2 3.98Å; N281-F300 HydrophobicContact CB-CE1 3.73Å; N281-F300 HydrophobicContact CB-CE2 3.97Å; N281-F300 HydrophobicContact CB-CG 3.85Å; N281-F300 HydrophobicContact CB-CZ 3.84Å; N281-F300 WeakPolarHBondContact ND2-CD1 3.34Å; N281-F300 WeakPolarHBondContact ND2-CE1 3.42Å; C296-F300 HydrophobicContact CB-CB 4.27Å; C296-F300 WeakPolarHBondContact CB-O 3.42Å; K297-F300 HydrophobicContact CB-CD2 4.46Å; K297-F300 PolarHBondContact O-N 3.35Å; D298-F300 VanDerWaalsContact C-N 3.31Å; D298-F300 PolarHBondContact O-N 2.82Å; F300-I307 CarbonylContact C-O 3.59Å; F300-I307 WeakPolarHBondContact CA-O 3.38Å; F300-D308 WeakPolarHBondContact CE1-OD1 3.3Å; F300-P327 HydrophobicContact CE1-CB 4.4Å; F300-P327 VanDerWaalsContact CZ-C 3.45Å; F300-P327 HydrophobicContact CZ-CB 4.24Å
301G75Confident75.2Confident27 Ų2771.4 Ų71.428%0.27837%0.374SS..EExtended strand (participates in β ladder)trans-135.7177-177.100000115.6C305 Q306 I307G301-C305 CarbonylContact O-C 3.43Å; G301-C305 VanDerWaalsContact O-C 3.27Å; G301-C305 VanDerWaalsContact O-CA 3.23Å; G301-C305 WeakPolarHBondContact O-CA 3.42Å; G301-Q306 PolarHBondContact O-N 2.84Å; G301-I307 PolarHBondContact N-O 2.84Å; G301-I307 WeakPolarHBondContact O-CB 3.32Å; G301-I307 PolarHBondContact O-N 2.89Å
302G74.9Confident75.4Confident37 Ų3770 Ų7038%0.38136%0.364SS..SBendtrans88.5165.4178.600000114.9R304 C305G302-R304 PolarHBondContact O-N 3.28Å; G302-R304 VanDerWaalsContact O-N 3.08Å; G302-C305 PolarHBondContact O-N 2.91Å
303K74.9Confident75.2Confident198 Ų19872.8 Ų72.886%0.86138%0.384SS*.THydrogen-bonded Turntrans-60.1-22.5-170.8-69-176.8178.5178.70115
304R79.2Confident74.8Confident104 Ų10471.8 Ų71.839%0.39239%0.391SS..THydrogen-bonded Turntrans-120.114.7175.4-64.7-175.664.2-158-5.6112.6P278 L280 G302 Q306P278-R304 VanDerWaalsContact O-CZ 3.23Å; P278-R304 PolarHBondContact O-NE 3.12Å; P278-R304 PolarHBondContact O-NH2 3.22Å; L280-R304 WeakPolarHBondContact CB-O 3.26Å; L280-R304 PolarHBondContact N-O 2.97Å; G302-R304 PolarHBondContact O-N 3.28Å; G302-R304 VanDerWaalsContact O-N 3.08Å; R304-Q306 VanDerWaalsContact C-N 3.3Å
305C77.9Confident74.6Confident0 Ų079.4 Ų79.40%043%0.425CS..SBendtrans59.639.8-173.1-480000113N281 C296 G301 G302N281-C305 WeakPolarHBondContact CB-O 3.38Å; N281-C305 PolarHBondContact ND2-O 3.5Å; C296-C305 WeakPolarHBondContact CA-SG 3.22Å; C296-C305 HydrophobicContact CB-CB 3.72Å; C296-C305 WeakPolarHBondContact CB-SG 3.29Å; C296-C305 PolarHBondContact N-SG 2.87Å; C296-C305 VanDerWaalsContact N-SG 3.41Å; C296-C305 WeakPolarHBondContact SG-CA 3.4Å; C296-C305 WeakPolarHBondContact SG-CB 3.36Å; C296-C305 CovalentContact SG-SG 2.04Å; C296-C305 PolarHBondContact SG-SG 2.9Å; G301-C305 CarbonylContact O-C 3.43Å; G301-C305 VanDerWaalsContact O-C 3.27Å; G301-C305 VanDerWaalsContact O-CA 3.23Å; G301-C305 WeakPolarHBondContact O-CA 3.42Å; G302-C305 PolarHBondContact O-N 2.91Å
306Q74.4Confident74.5Confident94 Ų9477.5 Ų77.544%0.43941%0.414SS..  trans-101.31.5-172.284-69.2-17.500114.5L280 G301 R304L280-Q306 HydrophobicContact CD1-CB 3.93Å; G301-Q306 PolarHBondContact O-N 2.84Å; R304-Q306 VanDerWaalsContact C-N 3.3Å
307I72.1Confident74.6Confident94 Ų9476.7 Ų76.748%0.48241%0.409SS..EExtended strand (participates in β ladder)trans-109.1134.3178.9-53.1175.8000107.7F300 G301F300-I307 CarbonylContact C-O 3.59Å; F300-I307 WeakPolarHBondContact CA-O 3.38Å; G301-I307 PolarHBondContact N-O 2.84Å; G301-I307 WeakPolarHBondContact O-CB 3.32Å; G301-I307 PolarHBondContact O-N 2.89Å
308D68.7Low74.8Confident76 Ų7676.2 Ų76.241%0.40641%0.409SS..EExtended strand (participates in β ladder)trans-89.2144.5173.7-131.9-6.9000109.9F300 P327 G328F300-D308 WeakPolarHBondContact CE1-OD1 3.3Å; D308-P327 WeakPolarHBondContact OD1-CA 3.28Å; D308-P327 WeakPolarHBondContact OD2-CA 3.42Å; D308-G328 PolarHBondContact OD1-N 3.12Å
309A69.3Low75Confident44 Ų4472.7 Ų72.736%0.36439%0.391SS..  trans-104139.4168.500000109.5G299G299-A309 WeakPolarHBondContact O-CB 3.39Å; G299-A309 PolarHBondContact O-N 2.89Å
310N71.2Confident75.4Confident74 Ų7481.6 Ų81.640%0.39643%0.426SS..  trans-92.9107.4177.1-179.6-68000109.1C312 L313 D325N310-C312 PolarHBondContact OD1-N 3.14Å; N310-L313 HydrophobicContact CB-CD1 4.19Å; N310-L313 WeakPolarHBondContact OD1-CG 3.01Å; N310-L313 PolarHBondContact OD1-N 2.92Å; N310-D325 VanDerWaalsContact CA-OD1 3.23Å; N310-D325 WeakPolarHBondContact CA-OD1 2.99Å; N310-D325 WeakPolarHBondContact CB-OD2 3.4Å; N310-D325 VanDerWaalsContact CG-OD2 3.25Å; N310-D325 PolarHBondContact ND2-OD1 3.38Å; N310-D325 PolarHBondContact ND2-OD2 2.81Å; N310-D325 PolarHBondContact OD1-OD1 2.92Å
311E75.1Confident75.7Confident48 Ų4880.3 Ų80.322%0.22442%0.423CS..SBendtrans-80-24.7179.6-82.785.7-131.600112.8G299 L313 S314 D325 S329 Y330G299-E311 WeakPolarHBondContact CA-OE1 3.43Å; E311-L313 PolarHBondContact O-N 2.85Å; E311-L313 VanDerWaalsContact O-N 3.14Å; E311-S314 WeakPolarHBondContact O-CB 3.01Å; E311-S314 PolarHBondContact O-N 3.44Å; E311-S314 PolarHBondContact O-OG 2.62Å; E311-D325 PolarHBondContact N-OD1 2.91Å; E311-D325 VanDerWaalsContact N-OD1 3.11Å; E311-S329 VanDerWaalsContact OE2-CA 3.26Å; E311-S329 WeakPolarHBondContact OE2-CA 3.45Å; E311-S329 PolarHBondContact OE2-N 3.19Å; E311-Y330 HydrophobicContact CB-CD1 3.57Å; E311-Y330 HydrophobicContact CB-CE1 4.4Å; E311-Y330 HydrophobicContact CB-CG 4.28Å; E311-Y330 HydrophobicContact CG-CD1 4.16Å
312C76.4Confident76.2Confident25 Ų2583.7 Ų83.717%0.16944%0.438CS..G310 helixtrans-63.6-19.7-178.7-78.50000114N310 S314 E315 C323 D325N310-C312 PolarHBondContact OD1-N 3.14Å; C312-S314 PolarHBondContact O-N 2.89Å; C312-E315 PolarHBondContact O-N 2.77Å; C312-E315 VanDerWaalsContact O-N 3.17Å; C312-C323 WeakPolarHBondContact CA-SG 3.47Å; C312-C323 HydrophobicContact CB-CB 3.9Å; C312-C323 WeakPolarHBondContact CB-SG 3.38Å; C312-C323 VanDerWaalsContact SG-C 3.57Å; C312-C323 WeakPolarHBondContact SG-CB 3.29Å; C312-C323 CovalentContact SG-SG 2.05Å; C312-C323 PolarHBondContact SG-SG 3.14Å; C312-D325 HydrophobicContact CB-CB 4.4Å; C312-D325 PolarHBondContact N-OD1 3.18Å
313L75.9Confident76.6Confident153 Ų15383.8 Ų83.880%0.80143%0.433SS*.G310 helixtrans-59-10.1168.6-74.5170.2000114.5N310 E311N310-L313 HydrophobicContact CB-CD1 4.19Å; N310-L313 WeakPolarHBondContact OD1-CG 3.01Å; N310-L313 PolarHBondContact OD1-N 2.92Å; E311-L313 PolarHBondContact O-N 2.85Å; E311-L313 VanDerWaalsContact O-N 3.14Å
314S74.2Confident76.9Confident86 Ų8678.7 Ų78.760%0.60141%0.412SS*.G310 helixtrans-96.83.9176.967.10000115.2E311 C312E311-S314 WeakPolarHBondContact O-CB 3.01Å; E311-S314 PolarHBondContact O-N 3.44Å; E311-S314 PolarHBondContact O-OG 2.62Å; C312-S314 PolarHBondContact O-N 2.89Å
315E78.7Confident76.7Confident175 Ų17576.6 Ų76.682%0.81841%0.409SS*.  trans4950.6-176.7-58.7-167.7151.700115.1C312 C317C312-E315 PolarHBondContact O-N 2.77Å; C312-E315 VanDerWaalsContact O-N 3.17Å; E315-C317 VanDerWaalsContact C-N 3.35Å; E315-C317 PolarHBondContact O-N 2.04Å
316P80.3Confident76.6Confident16 Ų1679.9 Ų79.910%0.10442%0.424CS..  trans-74-17.5-169.930.6-36.8000115.3Y330 N342P316-Y330 HydrophobicContact CB-CD2 4.12Å; P316-Y330 HydrophobicContact CB-CE1 4.26Å; P316-Y330 HydrophobicContact CB-CE2 3.53Å; P316-Y330 HydrophobicContact CG-CD1 4.26Å; P316-Y330 HydrophobicContact CG-CD2 3.5Å; P316-Y330 HydrophobicContact CG-CE1 4.22Å; P316-Y330 HydrophobicContact CG-CE2 3.48Å; P316-Y330 VanDerWaalsContact CG-CE2 3.48Å; P316-Y330 HydrophobicContact CG-CG 3.9Å; P316-N342 WeakPolarHBondContact O-CB 3.19Å; P316-N342 PolarHBondContact O-ND2 2.02Å
317C82.2Confident76.1Confident24 Ų2480 Ų8016%0.16243%0.433CS..  trans-86.2121.7-171.5-55.20000112.9E315 G321 C323 C332E315-C317 VanDerWaalsContact C-N 3.35Å; E315-C317 PolarHBondContact O-N 2.04Å; C317-G321 WeakPolarHBondContact CB-O 3.38Å; C317-C323 VanDerWaalsContact SG-CA 3.53Å; C317-C323 VanDerWaalsContact SG-CB 3.5Å; C317-C332 WeakPolarHBondContact CA-SG 3.24Å; C317-C332 HydrophobicContact CB-CB 3.76Å; C317-C332 WeakPolarHBondContact CB-SG 3.23Å; C317-C332 WeakPolarHBondContact SG-CA 3.35Å; C317-C332 WeakPolarHBondContact SG-CB 3.38Å; C317-C332 CovalentContact SG-SG 2.03Å; C317-C332 PolarHBondContact SG-SG 3.24Å
318M75.9Confident76Confident114 Ų11476.4 Ų76.456%0.56242%0.419SS*.  trans-90.7176.9179.7-58.4-164.5172.900112.3K320 G321 N342M318-K320 PolarHBondContact O-N 2.84Å; M318-G321 PolarHBondContact O-N 2.77Å; M318-N342 WeakPolarHBondContact CA-O 3.29Å; M318-N342 WeakPolarHBondContact CB-O 3.22Å; M318-N342 PolarHBondContact N-O 2.87Å
319N77.6Confident76.1Confident86 Ų8675.2 Ų75.246%0.4642%0.417SS..THydrogen-bonded Turntrans53.929.5172.6-64.6-34.9000115.4G321 C343N319-G321 VanDerWaalsContact C-N 3.29Å; N319-G321 PolarHBondContact O-N 3.13Å; N319-C343 PolarHBondContact ND2-O 2.89Å
320K77.4Confident76.6Confident201 Ų20175.7 Ų75.787%0.87441%0.409SS*.THydrogen-bonded Turntrans6425.4-175.3-48179.5-176.9178.30114.4M318M318-K320 PolarHBondContact O-N 2.84Å
321G78.6Confident77.1Confident11 Ų1175.5 Ų75.511%0.11341%0.408CS..PPolyproline II helixtrans-67.2144.3166.200000111.6C317 M318 N319 H333C317-G321 WeakPolarHBondContact CB-O 3.38Å; M318-G321 PolarHBondContact O-N 2.77Å; N319-G321 VanDerWaalsContact C-N 3.29Å; N319-G321 PolarHBondContact O-N 3.13Å; G321-H333 WeakPolarHBondContact CA-O 3.46Å
322T84.6Confident77.5Confident97 Ų9773.6 Ų73.660%0.59540%0.4SS*.EExtended strand (participates in β ladder)trans-88.1128.4179.8-52.50000110.3H333T322-H333 PolarHBondContact N-O 3.02Å; T322-H333 PolarHBondContact O-N 3.22Å
323C83.4Confident77.8Confident40 Ų4076.8 Ų76.827%0.2741%0.412SS..EExtended strand (participates in β ladder)trans-79.8129.6173.8-158.70000111C312 C317C312-C323 WeakPolarHBondContact CA-SG 3.47Å; C312-C323 HydrophobicContact CB-CB 3.9Å; C312-C323 WeakPolarHBondContact CB-SG 3.38Å; C312-C323 VanDerWaalsContact SG-C 3.57Å; C312-C323 WeakPolarHBondContact SG-CB 3.29Å; C312-C323 CovalentContact SG-SG 2.05Å; C312-C323 PolarHBondContact SG-SG 3.14Å; C317-C323 VanDerWaalsContact SG-CA 3.53Å; C317-C323 VanDerWaalsContact SG-CB 3.5Å
324E81Confident78Confident91 Ų9171.6 Ų71.643%0.42539%0.389SS..EExtended strand (participates in β ladder)trans-117.8127.3168-177.8176.3-147.800109.2Y330 L331 H333E324-Y330 WeakPolarHBondContact O-CA 3.49Å; E324-L331 PolarHBondContact N-O 3.35Å; E324-L331 PolarHBondContact O-N 3.34Å; E324-H333 IonicContact OE2-CD2 3.89Å; E324-H333 IonicContact OE2-CE1 3.54Å; E324-H333 IonicContact OE2-NE2 2.76Å; E324-H333 PolarHBondContact OE2-NE2 3.03Å
325D76.3Confident77.9Confident60 Ų6070 Ų7032%0.32138%0.376SS..EExtended strand (participates in β ladder)trans-81.3132.7-179.1-159.862.2000109.9N310 E311 C312N310-D325 VanDerWaalsContact CA-OD1 3.23Å; N310-D325 WeakPolarHBondContact CA-OD1 2.99Å; N310-D325 WeakPolarHBondContact CB-OD2 3.4Å; N310-D325 VanDerWaalsContact CG-OD2 3.25Å; N310-D325 PolarHBondContact ND2-OD1 3.38Å; N310-D325 PolarHBondContact ND2-OD2 2.81Å; N310-D325 PolarHBondContact OD1-OD1 2.92Å; E311-D325 PolarHBondContact N-OD1 2.91Å; E311-D325 VanDerWaalsContact N-OD1 3.11Å; C312-D325 HydrophobicContact CB-CB 4.4Å; C312-D325 PolarHBondContact N-OD1 3.18Å
326Q74.6Confident77.5Confident68 Ų6871.3 Ų71.332%0.31838%0.382SS..EExtended strand (participates in β ladder)trans-133.6157.5-176.7-57.8-165.9-800110.3G328 S329 L331Q326-G328 PolarHBondContact O-N 2.81Å; Q326-S329 CarbonylContact C-O 3.58Å; Q326-S329 VanDerWaalsContact CA-O 3.31Å; Q326-S329 WeakPolarHBondContact CA-O 3.45Å; Q326-S329 WeakPolarHBondContact CB-O 3.43Å; Q326-S329 PolarHBondContact N-O 2.92Å; Q326-S329 PolarHBondContact O-N 2.85Å; Q326-L331 HydrophobicContact CG-CB 4.46Å
327P65.7Low76.8Confident97 Ų9772.8 Ų72.863%0.6340%0.401SS*.THydrogen-bonded Turntrans-58.9109.4-176.9-28.337.2000113.2F300 D308F300-P327 HydrophobicContact CE1-CB 4.4Å; F300-P327 VanDerWaalsContact CZ-C 3.45Å; F300-P327 HydrophobicContact CZ-CB 4.24Å; D308-P327 WeakPolarHBondContact OD1-CA 3.28Å; D308-P327 WeakPolarHBondContact OD2-CA 3.42Å
328G67.9Low76.3Confident18 Ų1875 Ų7519%0.18641%0.407CS..THydrogen-bonded Turntrans63.126.3-173.800000116.6D308 Q326D308-G328 PolarHBondContact OD1-N 3.12Å; Q326-G328 PolarHBondContact O-N 2.81Å
329S71.5Confident76Confident51 Ų5175.4 Ų75.436%0.35741%0.406SS..EExtended strand (participates in β ladder)trans-167.4171.5172.552.70000113.1E311 Q326E311-S329 VanDerWaalsContact OE2-CA 3.26Å; E311-S329 WeakPolarHBondContact OE2-CA 3.45Å; E311-S329 PolarHBondContact OE2-N 3.19Å; Q326-S329 CarbonylContact C-O 3.58Å; Q326-S329 VanDerWaalsContact CA-O 3.31Å; Q326-S329 WeakPolarHBondContact CA-O 3.45Å; Q326-S329 WeakPolarHBondContact CB-O 3.43Å; Q326-S329 PolarHBondContact N-O 2.92Å; Q326-S329 PolarHBondContact O-N 2.85Å
330Y80.8Confident75.7Confident54 Ų5472.7 Ų72.721%0.21240%0.398CS..EExtended strand (participates in β ladder)trans-118.9153.2169.362.9-84.7000112E311 P316 E324 N342E311-Y330 HydrophobicContact CB-CD1 3.57Å; E311-Y330 HydrophobicContact CB-CE1 4.4Å; E311-Y330 HydrophobicContact CB-CG 4.28Å; E311-Y330 HydrophobicContact CG-CD1 4.16Å; P316-Y330 HydrophobicContact CB-CD2 4.12Å; P316-Y330 HydrophobicContact CB-CE1 4.26Å; P316-Y330 HydrophobicContact CB-CE2 3.53Å; P316-Y330 HydrophobicContact CG-CD1 4.26Å; P316-Y330 HydrophobicContact CG-CD2 3.5Å; P316-Y330 HydrophobicContact CG-CE1 4.22Å; P316-Y330 HydrophobicContact CG-CE2 3.48Å; P316-Y330 VanDerWaalsContact CG-CE2 3.48Å; P316-Y330 HydrophobicContact CG-CG 3.9Å; E324-Y330 WeakPolarHBondContact O-CA 3.49Å; Y330-N342 PolarHBondContact OH-ND2 2.04Å; Y330-N342 PolarHBondContact OH-OD1 3.45Å
331L80.6Confident75.6Confident70 Ų7069.4 Ų69.437%0.36639%0.386SS..EExtended strand (participates in β ladder)trans-118.3126.5172176.761.9000110.3E324 Q326E324-L331 PolarHBondContact N-O 3.35Å; E324-L331 PolarHBondContact O-N 3.34Å; Q326-L331 HydrophobicContact CG-CB 4.46Å
332C84.1Confident75.6Confident9 Ų970.7 Ų70.76%0.06139%0.39CS..EExtended strand (participates in β ladder)trans-94.2118170.4-62.50000111.1C317 C334 Q341C317-C332 WeakPolarHBondContact CA-SG 3.24Å; C317-C332 HydrophobicContact CB-CB 3.76Å; C317-C332 WeakPolarHBondContact CB-SG 3.23Å; C317-C332 WeakPolarHBondContact SG-CA 3.35Å; C317-C332 WeakPolarHBondContact SG-CB 3.38Å; C317-C332 CovalentContact SG-SG 2.03Å; C317-C332 PolarHBondContact SG-SG 3.24Å; C332-C334 PolarHBondContact O-N 2.98Å; C332-Q341 WeakPolarHBondContact CB-O 3.3Å; C332-Q341 PolarHBondContact SG-O 2.86Å; C332-Q341 VanDerWaalsContact SG-O 3.39Å
333H82.3Confident75.2Confident91 Ų9166 Ų6642%0.42136%0.362SS..EExtended strand (participates in β ladder)trans-81100.8174-70.2-79.1000110.4G321 T322 E324G321-H333 WeakPolarHBondContact CA-O 3.46Å; T322-H333 PolarHBondContact N-O 3.02Å; T322-H333 PolarHBondContact O-N 3.22Å; E324-H333 IonicContact OE2-CD2 3.89Å; E324-H333 IonicContact OE2-CE1 3.54Å; E324-H333 IonicContact OE2-NE2 2.76Å; E324-H333 PolarHBondContact OE2-NE2 3.03Å
334C79.8Confident74.8Confident45 Ų4568.7 Ų68.730%0.30437%0.37SS..PPolyproline II helixtrans-81.4138.9-172.8-54.70000114C332 F338 C343C332-C334 PolarHBondContact O-N 2.98Å; C334-F338 HydrophobicContact CB-CB 4.5Å; C334-C343 WeakPolarHBondContact CA-SG 3.26Å; C334-C343 HydrophobicContact CB-CB 3.73Å; C334-C343 WeakPolarHBondContact CB-SG 3.49Å; C334-C343 WeakPolarHBondContact SG-CA 3.07Å; C334-C343 WeakPolarHBondContact SG-CB 3.06Å; C334-C343 CovalentContact SG-SG 2.04Å; C334-C343 PolarHBondContact SG-SG 2.9Å
335P73.6Confident74.1Confident51 Ų5168.6 Ų68.633%0.33137%0.372SS..PPolyproline II helixtrans-69.8155.7174.428.6-33.5000112.4G337 F338P335-G337 PolarHBondContact O-N 2.04Å; P335-F338 HydrophobicContact CG-CD2 4.03Å; P335-F338 PolarHBondContact O-N 2.92Å
336Q69.9Low73.3Confident203 Ų20373.2 Ų73.295%0.94939%0.392SS*.THydrogen-bonded Turntrans-58.1121-172.6-166.1177.332.800112.4
337G65.9Low72.6Confident48 Ų4875.8 Ų75.850%0.49540%0.403SS..THydrogen-bonded Turntrans111.2-20.5-174.900000113.8P335 Q347P335-G337 PolarHBondContact O-N 2.04Å; G337-Q347 PolarHBondContact O-N 2.84Å
338F72Confident72.3Confident69 Ų6975.8 Ų75.830%0.30340%0.398SS..EExtended strand (participates in β ladder)trans-108.4150.2179.7-61.8-89.2000112.2C334 P335 I345 E346C334-F338 HydrophobicContact CB-CB 4.5Å; P335-F338 HydrophobicContact CG-CD2 4.03Å; P335-F338 PolarHBondContact O-N 2.92Å; F338-I345 CarbonylContact C-O 3.57Å; F338-I345 WeakPolarHBondContact CA-O 3.39Å; F338-E346 HydrophobicContact CD1-CG 4.01Å; F338-E346 HydrophobicContact CE1-CG 3.61Å; F338-E346 HydrophobicContact CZ-CG 4.38Å
339K68.9Low71.9Confident123 Ų12376 Ų7654%0.53540%0.401SS..EExtended strand (participates in β ladder)trans-148.3172.2178.2-171.3169.7174.6-174.50109C343 E344 I345K339-C343 CarbonylContact O-C 3.58Å; K339-E344 PolarHBondContact O-N 2.72Å; K339-I345 PolarHBondContact N-O 2.64Å; K339-I345 WeakPolarHBondContact O-CA 3.36Å; K339-I345 VanDerWaalsContact O-CB 3.32Å; K339-I345 WeakPolarHBondContact O-CB 3.44Å; K339-I345 PolarHBondContact O-N 3.42Å
340G71.4Confident71.8Confident29 Ų2975.1 Ų75.130%0.29939%0.394SS..SBendtrans127.7178.3-176.400000110.4E344G340-E344 VanDerWaalsContact CA-CD 3.47Å; G340-E344 WeakPolarHBondContact CA-OE1 3.1Å; G340-E344 WeakPolarHBondContact CA-OE2 3.48Å
341Q73.9Confident71.2Confident132 Ų13280.3 Ų80.362%0.61742%0.42SS*.SBendtrans-77-31.3173.4-173.8169.4-12.500111.2C332 E344C332-Q341 WeakPolarHBondContact CB-O 3.3Å; C332-Q341 PolarHBondContact SG-O 2.86Å; C332-Q341 VanDerWaalsContact SG-O 3.39Å; Q341-E344 PolarHBondContact N-OE1 2.94Å; Q341-E344 PolarHBondContact N-OE2 2.9Å; Q341-E344 VanDerWaalsContact N-OE2 3.13Å
342N79.5Confident70.4Confident38 Ų3881 Ų8120%0.20343%0.431CS..SBendtrans-11916.9-177.4-61.833.1000111P316 M318 Y330 E344P316-N342 WeakPolarHBondContact O-CB 3.19Å; P316-N342 PolarHBondContact O-ND2 2.02Å; M318-N342 WeakPolarHBondContact CA-O 3.29Å; M318-N342 WeakPolarHBondContact CB-O 3.22Å; M318-N342 PolarHBondContact N-O 2.87Å; Y330-N342 PolarHBondContact OH-ND2 2.04Å; Y330-N342 PolarHBondContact OH-OD1 3.45Å; N342-E344 VanDerWaalsContact C-OE2 3.26Å; N342-E344 VanDerWaalsContact CA-OE2 3.32Å; N342-E344 WeakPolarHBondContact CA-OE2 3.47Å; N342-E344 PolarHBondContact N-OE2 2.98Å
343C77Confident69.7Low0 Ų085 Ų850%046%0.459CS..SBendtrans65.834.4-177.3-480000115.1N319 C334 K339N319-C343 PolarHBondContact ND2-O 2.89Å; C334-C343 WeakPolarHBondContact CA-SG 3.26Å; C334-C343 HydrophobicContact CB-CB 3.73Å; C334-C343 WeakPolarHBondContact CB-SG 3.49Å; C334-C343 WeakPolarHBondContact SG-CA 3.07Å; C334-C343 WeakPolarHBondContact SG-CB 3.06Å; C334-C343 CovalentContact SG-SG 2.04Å; C334-C343 PolarHBondContact SG-SG 2.9Å; K339-C343 CarbonylContact O-C 3.58Å
344E74.8Confident69.4Low95 Ų9580.9 Ų80.944%0.44444%0.44SS..  trans-88.1-5.2-170.672.3-70.5166.800116.6K339 G340 Q341 N342K339-E344 PolarHBondContact O-N 2.72Å; G340-E344 VanDerWaalsContact CA-CD 3.47Å; G340-E344 WeakPolarHBondContact CA-OE1 3.1Å; G340-E344 WeakPolarHBondContact CA-OE2 3.48Å; Q341-E344 PolarHBondContact N-OE1 2.94Å; Q341-E344 PolarHBondContact N-OE2 2.9Å; Q341-E344 VanDerWaalsContact N-OE2 3.13Å; N342-E344 VanDerWaalsContact C-OE2 3.26Å; N342-E344 VanDerWaalsContact CA-OE2 3.32Å; N342-E344 WeakPolarHBondContact CA-OE2 3.47Å; N342-E344 PolarHBondContact N-OE2 2.98Å
345I66Low69.5Low90 Ų9079.6 Ų79.646%0.46243%0.432SS..EExtended strand (participates in β ladder)trans-122.5129.9-169.7-42.5178.4000111.6F338 K339F338-I345 CarbonylContact C-O 3.57Å; F338-I345 WeakPolarHBondContact CA-O 3.39Å; K339-I345 PolarHBondContact N-O 2.64Å; K339-I345 WeakPolarHBondContact O-CA 3.36Å; K339-I345 VanDerWaalsContact O-CB 3.32Å; K339-I345 WeakPolarHBondContact O-CB 3.44Å; K339-I345 PolarHBondContact O-N 3.42Å
346E60.3Low69.7Low157 Ų15780.8 Ų80.873%0.73444%0.435SS*.EExtended strand (participates in β ladder)trans-85.8140.7167.9-64.4-178.5176.300110.7F338F338-E346 HydrophobicContact CD1-CG 4.01Å; F338-E346 HydrophobicContact CE1-CG 3.61Å; F338-E346 HydrophobicContact CZ-CG 4.38Å
347Q58.8Low69.9Low121 Ų12175.5 Ų75.557%0.56541%0.413SS*.  trans-116125.1-170.6-171179.4-33.200115.2G337G337-Q347 PolarHBondContact O-N 2.84Å
348D58.6Low70.2Confident98 Ų9876.4 Ų76.452%0.52442%0.422SS..  trans-95.4160.9169.4-162.80.2000112.6
349G61.2Low70.7Confident23 Ų2373.7 Ų73.724%0.23741%0.414CS..SBendtrans-87.4-33.8-165.800000116.9S352G349-S352 PolarHBondContact O-OG 3.45Å
350C68.7Low71.5Confident31 Ų3172 Ų7221%0.20941%0.413CS..SBendtrans-86.6-14-177.3-84.60000114.7S352 S353 C361 G363C350-S352 PolarHBondContact O-N 2.97Å; C350-S352 VanDerWaalsContact O-N 3.07Å; C350-S353 PolarHBondContact O-N 2.99Å; C350-C361 VanDerWaalsContact CA-SG 3.6Å; C350-C361 HydrophobicContact CB-CB 4.04Å; C350-C361 WeakPolarHBondContact CB-SG 3.47Å; C350-C361 WeakPolarHBondContact SG-CB 3.47Å; C350-C361 CovalentContact SG-SG 2.05Å; C350-C361 PolarHBondContact SG-SG 2.88Å; C350-G363 VanDerWaalsContact SG-CA 3.59Å; C350-G363 PolarHBondContact SG-N 3.19Å
351E67.3Low71.9Confident163 Ų16372.3 Ų72.376%0.76241%0.411SS*.THydrogen-bonded Turntrans-52-34.7178.8-150.567.8-146.400112.2S353E351-S353 PolarHBondContact O-N 3.4Å; E351-S353 VanDerWaalsContact O-N 3.15Å
352S65.4Low72.3Confident84 Ų8473.1 Ų73.159%0.58741%0.408SS*.THydrogen-bonded Turntrans-71.40.3179.566.30000115.6G349 C350G349-S352 PolarHBondContact O-OG 3.45Å; C350-S352 PolarHBondContact O-N 2.97Å; C350-S352 VanDerWaalsContact O-N 3.07Å
353S68Low71.8Confident95 Ų9573.1 Ų73.166%0.66442%0.418SS*.  trans46.354.5-175.8-63.40000113.7C350 E351 C355C350-S353 PolarHBondContact O-N 2.99Å; E351-S353 PolarHBondContact O-N 3.4Å; E351-S353 VanDerWaalsContact O-N 3.15Å; S353-C355 VanDerWaalsContact C-N 3.28Å; S353-C355 PolarHBondContact O-N 2.8Å
354P76.6Confident71.3Confident4 Ų478.5 Ų78.53%0.02644%0.439CS..  trans-70.1-19.6-167.928.2-35.7000114.4C361 Y368 R380P354-C361 VanDerWaalsContact CG-SG 3.59Å; P354-Y368 HydrophobicContact CB-CD2 4.07Å; P354-Y368 HydrophobicContact CB-CE1 4.06Å; P354-Y368 HydrophobicContact CB-CE2 3.53Å; P354-Y368 HydrophobicContact CG-CD1 4.07Å; P354-Y368 HydrophobicContact CG-CD2 3.54Å; P354-Y368 HydrophobicContact CG-CE1 4.1Å; P354-Y368 HydrophobicContact CG-CE2 3.58Å; P354-Y368 HydrophobicContact CG-CG 3.81Å; P354-R380 PolarHBondContact O-NE 2.81Å; P354-R380 PolarHBondContact O-NH2 3.17Å
355C81.9Confident70.5Confident18 Ų1886 Ų8612%0.12246%0.463CS..  trans-83.1128.3-176.4-51.10000112S353 G359 C361 C370S353-C355 VanDerWaalsContact C-N 3.28Å; S353-C355 PolarHBondContact O-N 2.8Å; C355-G359 VanDerWaalsContact CB-O 3.27Å; C355-G359 WeakPolarHBondContact CB-O 3.07Å; C355-C361 WeakPolarHBondContact SG-CA 3.09Å; C355-C370 WeakPolarHBondContact CA-SG 3.49Å; C355-C370 HydrophobicContact CB-CB 3.79Å; C355-C370 WeakPolarHBondContact CB-SG 3.43Å; C355-C370 WeakPolarHBondContact SG-CA 3.05Å; C355-C370 WeakPolarHBondContact SG-CB 3.04Å; C355-C370 CovalentContact SG-SG 2.03Å; C355-C370 PolarHBondContact SG-SG 2.78Å
356L77.1Confident70Confident76 Ų7690.9 Ų90.940%0.39848%0.484SS..  trans-93.5172.1-178-55.6178.6000111.4G358 G359 R380 Q382L356-G358 PolarHBondContact O-N 3.18Å; L356-G359 PolarHBondContact O-N 2.9Å; L356-R380 WeakPolarHBondContact CB-O 3.25Å; L356-R380 PolarHBondContact N-O 3.24Å; L356-Q382 HydrophobicContact CD1-CB 4.17Å
357N74Confident70.1Confident92 Ų9290.2 Ų90.249%0.49248%0.475SS..THydrogen-bonded Turntrans53.725.4173.4-59.6-39.9000115.5F376 C381N357-F376 HydrophobicContact CB-CD1 3.68Å; N357-F376 HydrophobicContact CB-CE1 3.64Å; N357-F376 HydrophobicContact CB-CG 4.25Å; N357-F376 HydrophobicContact CB-CZ 4.18Å; N357-C381 PolarHBondContact ND2-O 2.88Å
358G74Confident70.8Confident66 Ų6688.7 Ų88.768%0.6847%0.465SS*.THydrogen-bonded Turntrans79.217-178.400000114.9L356L356-G358 PolarHBondContact O-N 3.18Å
359G81.9Confident71.8Confident13 Ų1387.2 Ų87.213%0.13446%0.46CS..PPolyproline II helixtrans-66.1146.9169.700000112.6C355 L356 T371C355-G359 VanDerWaalsContact CB-O 3.27Å; C355-G359 WeakPolarHBondContact CB-O 3.07Å; L356-G359 PolarHBondContact O-N 2.9Å; G359-T371 CarbonylContact C-O 3.58Å; G359-T371 VanDerWaalsContact CA-O 3.26Å; G359-T371 WeakPolarHBondContact CA-O 3.26Å
360V85.1Confident72.9Confident86 Ų8686.9 Ų86.952%0.52145%0.453SS..EExtended strand (participates in β ladder)trans-89.5122.1-175.1-178.40000110.7C370 T371V360-C370 WeakPolarHBondContact O-CA 3.44Å; V360-T371 PolarHBondContact N-O 3.35Å; V360-T371 PolarHBondContact O-N 2.83Å
361C80.4Confident73.6Confident37 Ų3788.3 Ų88.325%0.2546%0.462CS..EExtended strand (participates in β ladder)trans-77.2136.7174-161.40000111.3C350 P354 C355C350-C361 VanDerWaalsContact CA-SG 3.6Å; C350-C361 HydrophobicContact CB-CB 4.04Å; C350-C361 WeakPolarHBondContact CB-SG 3.47Å; C350-C361 WeakPolarHBondContact SG-CB 3.47Å; C350-C361 CovalentContact SG-SG 2.05Å; C350-C361 PolarHBondContact SG-SG 2.88Å; P354-C361 VanDerWaalsContact CG-SG 3.59Å; C355-C361 WeakPolarHBondContact SG-CA 3.09Å
362R81.2Confident74.3Confident148 Ų14882.7 Ų82.756%0.55844%0.44SS*.EExtended strand (participates in β ladder)trans-126.5119.8166.4-70.8-179.7172.9156-1.9109.2Y364 Y368 V369R362-Y364 HydrophobicContact CB-CE2 4.46Å; R362-Y368 CarbonylContact O-C 3.57Å; R362-Y368 WeakPolarHBondContact O-CA 3Å; R362-V369 PolarHBondContact N-O 3Å; R362-V369 PolarHBondContact O-N 3.01Å
363G68.9Low74.8Confident39 Ų3985.7 Ų85.740%0.40244%0.442SS..EExtended strand (participates in β ladder)trans-94.5141-176.800000111.9C350C350-G363 VanDerWaalsContact SG-CA 3.59Å; C350-G363 PolarHBondContact SG-N 3.19Å
364Y67.8Low75Confident113 Ų11388.5 Ų88.544%0.44345%0.45SS..EExtended strand (participates in β ladder)trans-129.5157.2168.5-56.4-83.3000108.1R362 Q366 Y367 V369R362-Y364 HydrophobicContact CB-CE2 4.46Å; Y364-Q366 PolarHBondContact O-N 2.88Å; Y364-Y367 CarbonylContact C-O 3.59Å; Y364-Y367 WeakPolarHBondContact CA-O 3.21Å; Y364-Y367 WeakPolarHBondContact CB-O 3.45Å; Y364-Y367 AromaticContact CD2-CD2 3.99Å; Y364-Y367 HydrophobicContact CD2-CD2 3.99Å; Y364-Y367 AromaticContact CD2-CE2 3.49Å; Y364-Y367 HydrophobicContact CD2-CE2 3.49Å; Y364-Y367 VanDerWaalsContact CD2-CE2 3.49Å; Y364-Y367 AromaticContact CD2-CZ 3.82Å; Y364-Y367 HydrophobicContact CE2-CE2 4.07Å; Y364-Y367 HydrophobicContact CG-CE1 4.43Å; Y364-Y367 HydrophobicContact CG-CE2 4.14Å; Y364-Y367 AromaticContact CG-CZ 4Å; Y364-Y367 PolarHBondContact N-O 2.85Å; Y364-Y367 PolarHBondContact O-N 3.02Å; Y364-Y367 VanDerWaalsContact O-N 3.08Å; Y364-V369 HydrophobicContact CD2-CG2 4.42Å; Y364-V369 HydrophobicContact CE2-CG2 4.02Å
365R57.6Low74.3Confident252 Ų25289.4 Ų89.495%0.95146%0.459SS*.THydrogen-bonded Turntrans-52.7-11.4-169.6-68.1-179176169.2-2.8117.3
366Q55.1Low73.8Confident192 Ų19291.9 Ų91.990%0.89747%0.468SS*.THydrogen-bonded Turntrans-140.9-0.1178.1-66.8-176-27.200114.2Y364Y364-Q366 PolarHBondContact O-N 2.88Å
367Y63.1Low73.6Confident143 Ų14392.9 Ų92.956%0.56147%0.47SS*.EExtended strand (participates in β ladder)trans-162.8162.2-179.566.7-84.9000112Y364 V369Y364-Y367 CarbonylContact C-O 3.59Å; Y364-Y367 WeakPolarHBondContact CA-O 3.21Å; Y364-Y367 WeakPolarHBondContact CB-O 3.45Å; Y364-Y367 AromaticContact CD2-CD2 3.99Å; Y364-Y367 HydrophobicContact CD2-CD2 3.99Å; Y364-Y367 AromaticContact CD2-CE2 3.49Å; Y364-Y367 HydrophobicContact CD2-CE2 3.49Å; Y364-Y367 VanDerWaalsContact CD2-CE2 3.49Å; Y364-Y367 AromaticContact CD2-CZ 3.82Å; Y364-Y367 HydrophobicContact CE2-CE2 4.07Å; Y364-Y367 HydrophobicContact CG-CE1 4.43Å; Y364-Y367 HydrophobicContact CG-CE2 4.14Å; Y364-Y367 AromaticContact CG-CZ 4Å; Y364-Y367 PolarHBondContact N-O 2.85Å; Y364-Y367 PolarHBondContact O-N 3.02Å; Y364-Y367 VanDerWaalsContact O-N 3.08Å; Y367-V369 HydrophobicContact CD2-CG2 4Å; Y367-V369 HydrophobicContact CE2-CG2 3.83Å
368Y72.8Confident73.4Confident89 Ų8989.9 Ų89.935%0.34946%0.46SS..EExtended strand (participates in β ladder)trans-119.2159.3173.565.1-94.3000111.4P354 R362P354-Y368 HydrophobicContact CB-CD2 4.07Å; P354-Y368 HydrophobicContact CB-CE1 4.06Å; P354-Y368 HydrophobicContact CB-CE2 3.53Å; P354-Y368 HydrophobicContact CG-CD1 4.07Å; P354-Y368 HydrophobicContact CG-CD2 3.54Å; P354-Y368 HydrophobicContact CG-CE1 4.1Å; P354-Y368 HydrophobicContact CG-CE2 3.58Å; P354-Y368 HydrophobicContact CG-CG 3.81Å; R362-Y368 CarbonylContact O-C 3.57Å; R362-Y368 WeakPolarHBondContact O-CA 3Å
369V79.6Confident73.4Confident67 Ų6795 Ų9541%0.40647%0.467SS..EExtended strand (participates in β ladder)trans-132.2132.3174.3-178.10000109.5R362 Y364 Y367R362-V369 PolarHBondContact N-O 3Å; R362-V369 PolarHBondContact O-N 3.01Å; Y364-V369 HydrophobicContact CD2-CG2 4.42Å; Y364-V369 HydrophobicContact CE2-CG2 4.02Å; Y367-V369 HydrophobicContact CD2-CG2 4Å; Y367-V369 HydrophobicContact CE2-CG2 3.83Å
370C84.1Confident73.2Confident16 Ų1699.4 Ų99.411%0.10848%0.479CS..EExtended strand (participates in β ladder)trans-95.8130.6174.6-63.80000111.3C355 V360 E379C355-C370 WeakPolarHBondContact CA-SG 3.49Å; C355-C370 HydrophobicContact CB-CB 3.79Å; C355-C370 WeakPolarHBondContact CB-SG 3.43Å; C355-C370 WeakPolarHBondContact SG-CA 3.05Å; C355-C370 WeakPolarHBondContact SG-CB 3.04Å; C355-C370 CovalentContact SG-SG 2.03Å; C355-C370 PolarHBondContact SG-SG 2.78Å; V360-C370 WeakPolarHBondContact O-CA 3.44Å; C370-E379 WeakPolarHBondContact CB-O 3.46Å
371T83.7Confident72.9Confident62 Ų6295.3 Ų95.338%0.3845%0.454SS..EExtended strand (participates in β ladder)trans-101.1117.4171.4-47.10000109G359 V360G359-T371 CarbonylContact C-O 3.58Å; G359-T371 VanDerWaalsContact CA-O 3.26Å; G359-T371 WeakPolarHBondContact CA-O 3.26Å; V360-T371 PolarHBondContact N-O 3.35Å; V360-T371 PolarHBondContact O-N 2.83Å
372C81.4Confident72.6Confident45 Ų4597.8 Ų97.830%0.30446%0.462SS..PPolyproline II helixtrans-87157.9-173.5-51.70000113F376 G378 C381C372-F376 WeakPolarHBondContact CB-O 3.3Å; C372-G378 PolarHBondContact SG-O 3.45Å; C372-C381 WeakPolarHBondContact CA-SG 3.05Å; C372-C381 HydrophobicContact CB-CB 3.78Å; C372-C381 WeakPolarHBondContact CB-SG 3.17Å; C372-C381 WeakPolarHBondContact SG-CA 3.43Å; C372-C381 WeakPolarHBondContact SG-CB 3.36Å; C372-C381 CovalentContact SG-SG 2.04Å; C372-C381 PolarHBondContact SG-SG 2.95Å
373K77Confident71.7Confident146 Ų14695.1 Ų95.164%0.63546%0.457SS*.PPolyproline II helixtrans-95.2153.6176.9-167.9174.1-178179.70109.8G375 F376K373-G375 PolarHBondContact O-N 3.04Å; K373-F376 WeakPolarHBondContact O-CB 3.16Å; K373-F376 PolarHBondContact O-N 2.92Å
374D71.3Confident71.5Confident155 Ų15595.5 Ų95.583%0.82945%0.45SS*.THydrogen-bonded Turntrans-46.3133.9-178.4-48.6-51.9000112.4
375G62.3Low71.3Confident22 Ų2296.6 Ų96.623%0.22746%0.459CS..THydrogen-bonded Turntrans85.1-4.7-172.600000115.7K373 L384 E385K373-G375 PolarHBondContact O-N 3.04Å; G375-L384 CarbonylContact O-C 3.5Å; G375-L384 WeakPolarHBondContact O-CA 3.32Å; G375-L384 WeakPolarHBondContact O-CD1 2.92Å; G375-E385 WeakPolarHBondContact CA-OE2 3.45Å; G375-E385 PolarHBondContact N-OE2 3.12Å; G375-E385 WeakPolarHBondContact O-CB 3.48Å; G375-E385 PolarHBondContact O-N 2.76Å
376F70.4Confident71.7Confident71 Ų7187.3 Ų87.331%0.31143%0.428SS..EExtended strand (participates in β ladder)trans-126.3143.2179.1-64.9-94000113.6N357 C372 K373 M383 L384N357-F376 HydrophobicContact CB-CD1 3.68Å; N357-F376 HydrophobicContact CB-CE1 3.64Å; N357-F376 HydrophobicContact CB-CG 4.25Å; N357-F376 HydrophobicContact CB-CZ 4.18Å; C372-F376 WeakPolarHBondContact CB-O 3.3Å; K373-F376 WeakPolarHBondContact O-CB 3.16Å; K373-F376 PolarHBondContact O-N 2.92Å; F376-M383 CarbonylContact C-O 3.55Å; F376-M383 VanDerWaalsContact CA-O 3.23Å; F376-M383 WeakPolarHBondContact CA-O 3.23Å; F376-L384 HydrophobicContact CD1-CD1 3.88Å; F376-L384 HydrophobicContact CD2-CD1 4.42Å; F376-L384 HydrophobicContact CE1-CD1 3.47Å; F376-L384 VanDerWaalsContact CE1-CD1 3.47Å; F376-L384 HydrophobicContact CE2-CD1 4.06Å; F376-L384 HydrophobicContact CG-CD1 4.34Å; F376-L384 HydrophobicContact CZ-CD1 3.58Å
377F73.9Confident72.4Confident97 Ų9779 Ų7943%0.42539%0.391SS..EExtended strand (participates in β ladder)trans-146.4177.5-18071.4-84.4000113.9C381 Q382 M383F377-C381 CarbonylContact O-C 3.6Å; F377-C381 WeakPolarHBondContact O-CA 3.41Å; F377-Q382 PolarHBondContact O-N 3.24Å; F377-M383 HydrophobicContact CD1-CB 3.88Å; F377-M383 HydrophobicContact CD2-CB 3.92Å; F377-M383 HydrophobicContact CD2-CG 4.47Å; F377-M383 HydrophobicContact CD2-SD 4.09Å; F377-M383 HydrophobicContact CE1-CB 3.68Å; F377-M383 HydrophobicContact CE2-CB 3.72Å; F377-M383 HydrophobicContact CE2-CG 4.18Å; F377-M383 HydrophobicContact CE2-SD 3.49Å; F377-M383 WeakPolarHBondContact CE2-SD 3.38Å; F377-M383 HydrophobicContact CG-CB 4Å; F377-M383 HydrophobicContact CZ-CB 3.6Å; F377-M383 HydrophobicContact CZ-CG 4.4Å; F377-M383 HydrophobicContact CZ-SD 4Å; F377-M383 PolarHBondContact N-O 2.93Å; F377-M383 WeakPolarHBondContact O-CB 3.28Å; F377-M383 PolarHBondContact O-N 3.45Å
378G69Low73.1Confident28 Ų2873.2 Ų73.229%0.28937%0.371SS..SBendtrans95160.2-17500000113.2C372 R380 C381C372-G378 PolarHBondContact SG-O 3.45Å; G378-R380 PolarHBondContact O-N 2.85Å; G378-C381 PolarHBondContact O-N 2.86Å
379E73.9Confident73.2Confident175 Ų17573.9 Ų73.982%0.81838%0.384SS*.THydrogen-bonded Turntrans-60.5-18.9-170.1-60.6-172.5150.800115.4C370C370-E379 WeakPolarHBondContact CB-O 3.46Å
380R78.8Confident72.9Confident104 Ų10477 Ų7739%0.39240%0.398SS..THydrogen-bonded Turntrans-12117.4173.7-62.7-176.161.3-170.2-2.5112.2P354 L356 G378 Q382P354-R380 PolarHBondContact O-NE 2.81Å; P354-R380 PolarHBondContact O-NH2 3.17Å; L356-R380 WeakPolarHBondContact CB-O 3.25Å; L356-R380 PolarHBondContact N-O 3.24Å; G378-R380 PolarHBondContact O-N 2.85Å; R380-Q382 VanDerWaalsContact C-N 3.26Å; R380-Q382 PolarHBondContact O-N 2.82Å
381C78.3Confident72.6Confident1 Ų183.9 Ų83.91%0.00743%0.426CS..SBendtrans57.834.4-176.2-49.80000114.2N357 C372 F377 G378N357-C381 PolarHBondContact ND2-O 2.88Å; C372-C381 WeakPolarHBondContact CA-SG 3.05Å; C372-C381 HydrophobicContact CB-CB 3.78Å; C372-C381 WeakPolarHBondContact CB-SG 3.17Å; C372-C381 WeakPolarHBondContact SG-CA 3.43Å; C372-C381 WeakPolarHBondContact SG-CB 3.36Å; C372-C381 CovalentContact SG-SG 2.04Å; C372-C381 PolarHBondContact SG-SG 2.95Å; F377-C381 CarbonylContact O-C 3.6Å; F377-C381 WeakPolarHBondContact O-CA 3.41Å; G378-C381 PolarHBondContact O-N 2.86Å
382Q74.7Confident72.4Confident88 Ų8882.8 Ų82.841%0.41142%0.42SS..  trans-89-9.1-170.674.7-82.120.100115.3L356 F377 R380L356-Q382 HydrophobicContact CD1-CB 4.17Å; F377-Q382 PolarHBondContact O-N 3.24Å; R380-Q382 VanDerWaalsContact C-N 3.26Å; R380-Q382 PolarHBondContact O-N 2.82Å
383M61.8Low72.4Confident92 Ų9280.9 Ų80.945%0.45341%0.407SS..EExtended strand (participates in β ladder)trans-109.1153.7-177.8-53.4-172-178.100111.1F376 F377F376-M383 CarbonylContact C-O 3.55Å; F376-M383 VanDerWaalsContact CA-O 3.23Å; F376-M383 WeakPolarHBondContact CA-O 3.23Å; F377-M383 HydrophobicContact CD1-CB 3.88Å; F377-M383 HydrophobicContact CD2-CB 3.92Å; F377-M383 HydrophobicContact CD2-CG 4.47Å; F377-M383 HydrophobicContact CD2-SD 4.09Å; F377-M383 HydrophobicContact CE1-CB 3.68Å; F377-M383 HydrophobicContact CE2-CB 3.72Å; F377-M383 HydrophobicContact CE2-CG 4.18Å; F377-M383 HydrophobicContact CE2-SD 3.49Å; F377-M383 WeakPolarHBondContact CE2-SD 3.38Å; F377-M383 HydrophobicContact CG-CB 4Å; F377-M383 HydrophobicContact CZ-CB 3.6Å; F377-M383 HydrophobicContact CZ-CG 4.4Å; F377-M383 HydrophobicContact CZ-SD 4Å; F377-M383 PolarHBondContact N-O 2.93Å; F377-M383 WeakPolarHBondContact O-CB 3.28Å; F377-M383 PolarHBondContact O-N 3.45Å
384L64.5Low72.7Confident47 Ų4776.2 Ų76.225%0.24640%0.401CS..EExtended strand (participates in β ladder)trans-116.2136.7-177-168.379.4000110.4G375 F376 D386 L390G375-L384 CarbonylContact O-C 3.5Å; G375-L384 WeakPolarHBondContact O-CA 3.32Å; G375-L384 WeakPolarHBondContact O-CD1 2.92Å; F376-L384 HydrophobicContact CD1-CD1 3.88Å; F376-L384 HydrophobicContact CD2-CD1 4.42Å; F376-L384 HydrophobicContact CE1-CD1 3.47Å; F376-L384 VanDerWaalsContact CE1-CD1 3.47Å; F376-L384 HydrophobicContact CE2-CD1 4.06Å; F376-L384 HydrophobicContact CG-CD1 4.34Å; F376-L384 HydrophobicContact CZ-CD1 3.58Å; L384-D386 WeakPolarHBondContact CD2-O 3.48Å; L384-L390 HydrophobicContact CD2-CD1 3.98Å; L384-L390 HydrophobicContact CD2-CD2 4.22Å; L384-L390 HydrophobicContact CD2-CG 3.8Å
385E63.2Low73.3Confident136 Ų13674.7 Ų74.764%0.63640%0.397SS*.SBendtrans-70.8-41.7-169.5-167.7171.3-175.500114G375G375-E385 WeakPolarHBondContact CA-OE2 3.45Å; G375-E385 PolarHBondContact N-OE2 3.12Å; G375-E385 WeakPolarHBondContact O-CB 3.48Å; G375-E385 PolarHBondContact O-N 2.76Å
386D66.3Low74.4Confident57 Ų5777.8 Ų77.831%0.30540%0.402SS..  trans-117.2105.9163.8177.531.1000111.6L384 C388 V389 S401L384-D386 WeakPolarHBondContact CD2-O 3.48Å; D386-C388 PolarHBondContact O-N 2.74Å; D386-C388 WeakPolarHBondContact OD1-CB 3.37Å; D386-C388 PolarHBondContact OD1-N 2.76Å; D386-V389 HydrophobicContact CB-CG2 4.12Å; D386-V389 WeakPolarHBondContact O-CG2 3.27Å; D386-V389 PolarHBondContact O-N 2.65Å; D386-S401 VanDerWaalsContact OD1-CB 3.25Å; D386-S401 WeakPolarHBondContact OD1-CB 3.42Å; D386-S401 PolarHBondContact OD1-OG 2.83Å
387P70.6Confident75Confident19 Ų1975 Ų7512%0.12339%0.392CS..G310 helixtrans-63.1-18.8174.725.6-36.6000114.6V389 L390 Y407P387-V389 PolarHBondContact O-N 2.76Å; P387-L390 PolarHBondContact O-N 2.92Å; P387-Y407 HydrophobicContact CB-CD1 3.86Å; P387-Y407 HydrophobicContact CB-CG 4.42Å; P387-Y407 HydrophobicContact CG-CD1 4.18Å; P387-Y407 HydrophobicContact CG-CG 4.49Å
388C77.2Confident75.7Confident20 Ų2074.2 Ų74.214%0.13540%0.399CS..G310 helixtrans-69.9-19.2179.1-75.70000113.7D386 L390 K391 C399 W400D386-C388 PolarHBondContact O-N 2.74Å; D386-C388 WeakPolarHBondContact OD1-CB 3.37Å; D386-C388 PolarHBondContact OD1-N 2.76Å; C388-L390 PolarHBondContact O-N 3.26Å; C388-K391 PolarHBondContact O-N 3.43Å; C388-C399 WeakPolarHBondContact CA-SG 3.42Å; C388-C399 HydrophobicContact CB-CB 3.78Å; C388-C399 WeakPolarHBondContact CB-SG 3.21Å; C388-C399 VanDerWaalsContact SG-C 3.57Å; C388-C399 WeakPolarHBondContact SG-CB 3.16Å; C388-C399 CovalentContact SG-SG 2.04Å; C388-C399 PolarHBondContact SG-SG 2.83Å; C388-W400 PolarHBondContact SG-N 2.74Å
389V75.2Confident76.4Confident103 Ų10374.9 Ų74.962%0.62440%0.399SS*.G310 helixtrans-57.4-32.6173178.70000112.1D386 P387 K391D386-V389 HydrophobicContact CB-CG2 4.12Å; D386-V389 WeakPolarHBondContact O-CG2 3.27Å; D386-V389 PolarHBondContact O-N 2.65Å; P387-V389 PolarHBondContact O-N 2.76Å; V389-K391 PolarHBondContact O-N 3.23Å
390L73.6Confident76.9Confident133 Ų13370.9 Ų70.970%0.69638%0.376SS*.G310 helixtrans-74.8-1.6177-59.7177.2000113.7L384 P387 C388L384-L390 HydrophobicContact CD2-CD1 3.98Å; L384-L390 HydrophobicContact CD2-CD2 4.22Å; L384-L390 HydrophobicContact CD2-CG 3.8Å; P387-L390 PolarHBondContact O-N 2.92Å; C388-L390 PolarHBondContact O-N 3.26Å
391K77.5Confident76.9Confident161 Ų16168.4 Ų68.470%0.738%0.375SS*.  trans50.251.9-177.6-57.6179.8-177.2175.20113.6C388 V389 C393 G394C388-K391 PolarHBondContact O-N 3.43Å; V389-K391 PolarHBondContact O-N 3.23Å; K391-C393 VanDerWaalsContact C-N 3.26Å; K391-C393 PolarHBondContact O-N 3.31Å; K391-C393 VanDerWaalsContact O-N 3.17Å; K391-G394 WeakPolarHBondContact O-CA 3.38Å; K391-G394 PolarHBondContact O-N 3.44Å
392P79.5Confident76.7Confident39 Ų3971.4 Ų71.425%0.25339%0.391SS..THydrogen-bonded Turntrans-58.2-34.1-174.723.5-33.9000113.6G394 Y407P392-G394 PolarHBondContact O-N 3.5Å; P392-Y407 HydrophobicContact CB-CD2 4.04Å; P392-Y407 HydrophobicContact CB-CE2 3.69Å; P392-Y407 HydrophobicContact CG-CD1 4.45Å; P392-Y407 HydrophobicContact CG-CD2 3.6Å; P392-Y407 HydrophobicContact CG-CE2 3.81Å; P392-Y407 HydrophobicContact CG-CG 3.97Å
393C81.9Confident76.3Confident4 Ų479.2 Ų79.23%0.02742%0.417CS..THydrogen-bonded Turntrans-75.60.5176.6-36.50000114.4K391 R396 G397 C399 C409K391-C393 VanDerWaalsContact C-N 3.26Å; K391-C393 PolarHBondContact O-N 3.31Å; K391-C393 VanDerWaalsContact O-N 3.17Å; C393-R396 PolarHBondContact O-N 2.85Å; C393-G397 PolarHBondContact O-N 2.95Å; C393-G397 VanDerWaalsContact O-N 3.13Å; C393-C399 WeakPolarHBondContact SG-CA 3.46Å; C393-C399 WeakPolarHBondContact SG-CB 3.08Å; C393-C409 VanDerWaalsContact CA-SG 3.55Å; C393-C409 HydrophobicContact CB-CB 3.77Å; C393-C409 WeakPolarHBondContact CB-SG 3.45Å; C393-C409 VanDerWaalsContact SG-CA 3.57Å; C393-C409 WeakPolarHBondContact SG-CB 3.42Å; C393-C409 CovalentContact SG-SG 2.02Å; C393-C409 PolarHBondContact SG-SG 3.32Å
394G83.1Confident76.6Confident49 Ų4984.8 Ų84.851%0.50543%0.433SS..THydrogen-bonded Turntrans52.3-135.1-174.100000113.2K391 P392K391-G394 WeakPolarHBondContact O-CA 3.38Å; K391-G394 PolarHBondContact O-N 3.44Å; P392-G394 PolarHBondContact O-N 3.5Å
395T83.6Confident76.7Confident122 Ų12284.1 Ų84.175%0.74844%0.438SS*.THydrogen-bonded Turntrans-93.43168.154.50000112.7K412T395-K412 WeakPolarHBondContact O-CE 3.44Å; T395-K412 PolarHBondContact O-NZ 2.92Å
396R84.6Confident77.2Confident88 Ų8882.4 Ų82.433%0.33243%0.433SS..THydrogen-bonded Turntrans-92.5-19.8-169.5-77.9173.162.2104.2-5.7113.5C393 K412 L415 C420 D423C393-R396 PolarHBondContact O-N 2.85Å; R396-K412 WeakPolarHBondContact O-CB 3.45Å; R396-K412 WeakPolarHBondContact O-CG 3.22Å; R396-K412 PolarHBondContact O-N 2.96Å; R396-K412 VanDerWaalsContact O-N 3.14Å; R396-L415 HydrophobicContact CB-CD1 3.64Å; R396-L415 HydrophobicContact CG-CD1 3.81Å; R396-L415 VanDerWaalsContact NH2-CD2 3.35Å; R396-L415 WeakPolarHBondContact O-CD1 3.23Å; R396-C420 HydrophobicContact CB-CB 4.02Å; R396-C420 VanDerWaalsContact CZ-O 3.31Å; R396-C420 PolarHBondContact NE-O 2.86Å; R396-C420 PolarHBondContact NH2-O 2.04Å; R396-D423 IonicContact CZ-OD1 2.91Å; R396-D423 IonicContact NH1-OD1 3.83Å; R396-D423 PolarHBondContact NH1-OD1 3.04Å; R396-D423 VanDerWaalsContact NH1-OD1 3.12Å; R396-D423 IonicContact NH2-OD1 2.74Å; R396-D423 PolarHBondContact NH2-OD1 3.49Å
397G84.5Confident77.8Confident11 Ų1182 Ų8211%0.11343%0.427CS..EExtended strand (participates in β ladder)trans-150.8178.7171.400000113C393 V410C393-G397 PolarHBondContact O-N 2.95Å; C393-G397 VanDerWaalsContact O-N 3.13Å; G397-V410 CarbonylContact C-O 3.42Å; G397-V410 WeakPolarHBondContact CA-O 3.38Å
398S87.6Confident78.4Confident81 Ų8183.7 Ų83.757%0.56644%0.435SS*.EExtended strand (participates in β ladder)trans-100.2129.6172-62.90000110C409 V410S398-C409 WeakPolarHBondContact O-CA 3.31Å; S398-V410 PolarHBondContact N-O 3.43Å; S398-V410 PolarHBondContact O-N 3.27Å
399C85.3Confident78.8Confident43 Ų4383.2 Ų83.229%0.29143%0.432SS..EExtended strand (participates in β ladder)trans-86.8140.9178-163.10000111.3C388 C393C388-C399 WeakPolarHBondContact CA-SG 3.42Å; C388-C399 HydrophobicContact CB-CB 3.78Å; C388-C399 WeakPolarHBondContact CB-SG 3.21Å; C388-C399 VanDerWaalsContact SG-C 3.57Å; C388-C399 WeakPolarHBondContact SG-CB 3.16Å; C388-C399 CovalentContact SG-SG 2.04Å; C388-C399 PolarHBondContact SG-SG 2.83Å; C393-C399 WeakPolarHBondContact SG-CA 3.46Å; C393-C399 WeakPolarHBondContact SG-CB 3.08Å
400W82.8Confident79.3Confident90 Ų9082.1 Ų82.134%0.34143%0.425SS..EExtended strand (participates in β ladder)trans-139.7143.8161.462.5-85.2000110.5C388 D402 Y407 N408 Y504C388-W400 PolarHBondContact SG-N 2.74Å; W400-D402 HydrophobicContact CZ3-CB 4.25Å; W400-Y407 CarbonylContact O-C 3.39Å; W400-Y407 WeakPolarHBondContact O-CA 3.32Å; W400-N408 HydrophobicContact CD2-CB 4.06Å; W400-N408 HydrophobicContact CH2-CB 4.35Å; W400-N408 WeakPolarHBondContact CH2-ND2 3.37Å; W400-N408 HydrophobicContact CZ2-CB 3.69Å; W400-N408 WeakPolarHBondContact CZ2-ND2 3.41Å; W400-N408 PolarHBondContact N-O 3.05Å; W400-N408 PolarHBondContact O-N 2.79Å; W400-Y504 HydrophobicContact CH2-CD2 4.15Å; W400-Y504 HydrophobicContact CH2-CE2 4.43Å; W400-Y504 HydrophobicContact CH2-CG 4.26Å; W400-Y504 HydrophobicContact CZ2-CD2 4.12Å; W400-Y504 HydrophobicContact CZ2-CG 4.04Å
401S78.5Confident80Confident52 Ų5276.7 Ų76.736%0.36440%0.398SS..EExtended strand (participates in β ladder)trans-105139.5177.635.90000111.5D386 N406D386-S401 VanDerWaalsContact OD1-CB 3.25Å; D386-S401 WeakPolarHBondContact OD1-CB 3.42Å; D386-S401 PolarHBondContact OD1-OG 2.83Å; S401-N406 CarbonylContact C-O 3.5Å; S401-N406 WeakPolarHBondContact CA-O 3.3Å
402D75.1Confident80.5Confident65 Ų6574.7 Ų74.735%0.34839%0.39SS..  trans-88.2157.2170.3179.235.6000110.3W400 R404 G405 N406W400-D402 HydrophobicContact CZ3-CB 4.25Å; D402-R404 PolarHBondContact O-N 3.26Å; D402-R404 IonicContact OD2-NE 4Å; D402-G405 PolarHBondContact O-N 2.82Å; D402-N406 PolarHBondContact N-O 2.87Å
403R65.6Low80.9Confident251 Ų25177 Ų7795%0.94740%0.402SS*.THydrogen-bonded Turntrans-62.34.6-177.5-52.2-173-172-161.72.4115
404R69.1Low81.1Confident210 Ų21077.2 Ų77.279%0.79241%0.406SS*.THydrogen-bonded Turntrans-107.86.5176.9-56.4-179.8-172.7-112.32.4113D402 N406D402-R404 PolarHBondContact O-N 3.26Å; D402-R404 IonicContact OD2-NE 4Å; R404-N406 VanDerWaalsContact C-N 3.34Å
405G66.6Low81.3Confident33 Ų3375.9 Ų75.934%0.3439%0.387SS..SBendtrans78.114.2-177.100000114.6D402D402-G405 PolarHBondContact O-N 2.82Å
406N73.2Confident81.5Confident100 Ų10070.3 Ų70.354%0.53535%0.353SS..  trans-95.3134.8175-74.7-46.8000110.5S401 D402 R404S401-N406 CarbonylContact C-O 3.5Å; S401-N406 WeakPolarHBondContact CA-O 3.3Å; D402-N406 PolarHBondContact N-O 2.87Å; R404-N406 VanDerWaalsContact C-N 3.34Å
407Y79.8Confident81.4Confident48 Ų4866.9 Ų66.919%0.18835%0.345CS..EExtended strand (participates in β ladder)trans-97.8152.3170.671.6-87000112.4P387 P392 W400 K418 D419P387-Y407 HydrophobicContact CB-CD1 3.86Å; P387-Y407 HydrophobicContact CB-CG 4.42Å; P387-Y407 HydrophobicContact CG-CD1 4.18Å; P387-Y407 HydrophobicContact CG-CG 4.49Å; P392-Y407 HydrophobicContact CB-CD2 4.04Å; P392-Y407 HydrophobicContact CB-CE2 3.69Å; P392-Y407 HydrophobicContact CG-CD1 4.45Å; P392-Y407 HydrophobicContact CG-CD2 3.6Å; P392-Y407 HydrophobicContact CG-CE2 3.81Å; P392-Y407 HydrophobicContact CG-CG 3.97Å; W400-Y407 CarbonylContact O-C 3.39Å; W400-Y407 WeakPolarHBondContact O-CA 3.32Å; Y407-K418 PolarHBondContact OH-NZ 2.8Å; Y407-D419 WeakPolarHBondContact CE2-OD1 3.48Å; Y407-D419 PolarHBondContact OH-OD1 2.97Å
408N82.4Confident81.3Confident54 Ų5471.9 Ų71.929%0.28936%0.363SS..EExtended strand (participates in β ladder)trans-132.1144.9171-70.6-59.9000109.9W400W400-N408 HydrophobicContact CD2-CB 4.06Å; W400-N408 HydrophobicContact CH2-CB 4.35Å; W400-N408 WeakPolarHBondContact CH2-ND2 3.37Å; W400-N408 HydrophobicContact CZ2-CB 3.69Å; W400-N408 WeakPolarHBondContact CZ2-ND2 3.41Å; W400-N408 PolarHBondContact N-O 3.05Å; W400-N408 PolarHBondContact O-N 2.79Å
409C85.4Confident81.2Confident10 Ų1070.7 Ų70.77%0.06835%0.35CS..EExtended strand (participates in β ladder)trans-109.5126.3174.6-59.80000112.2C393 S398 K418 K502C393-C409 VanDerWaalsContact CA-SG 3.55Å; C393-C409 HydrophobicContact CB-CB 3.77Å; C393-C409 WeakPolarHBondContact CB-SG 3.45Å; C393-C409 VanDerWaalsContact SG-CA 3.57Å; C393-C409 WeakPolarHBondContact SG-CB 3.42Å; C393-C409 CovalentContact SG-SG 2.02Å; C393-C409 PolarHBondContact SG-SG 3.32Å; S398-C409 WeakPolarHBondContact O-CA 3.31Å; C409-K418 WeakPolarHBondContact CB-O 3.4Å; C409-K418 PolarHBondContact SG-O 2.94Å; C409-K418 VanDerWaalsContact SG-O 3.32Å; C409-K502 PolarHBondContact O-NZ 3.17Å
410V86.2Confident81.2Confident80 Ų8068.6 Ų68.649%0.48534%0.337SS..EExtended strand (participates in β ladder)trans-87.7114.3165.3-178.70000107.6G397 S398G397-V410 CarbonylContact C-O 3.42Å; G397-V410 WeakPolarHBondContact CA-O 3.38Å; S398-V410 PolarHBondContact N-O 3.43Å; S398-V410 PolarHBondContact O-N 3.27Å
411C87.8Confident81.3Confident19 Ų1968.3 Ų68.313%0.12834%0.339CS..EExtended strand (participates in β ladder)trans-85.3150.2-172-59.70000112.8L415 C420 K502C411-L415 HydrophobicContact CB-CB 4.2Å; C411-C420 WeakPolarHBondContact CA-SG 3.15Å; C411-C420 HydrophobicContact CB-CB 3.87Å; C411-C420 WeakPolarHBondContact CB-SG 3Å; C411-C420 WeakPolarHBondContact SG-CA 3.45Å; C411-C420 WeakPolarHBondContact SG-CB 3.3Å; C411-C420 CovalentContact SG-SG 2.04Å; C411-C420 PolarHBondContact SG-SG 2.86Å; C411-K502 PolarHBondContact SG-NZ 2.85Å
412K88.4Confident81.6Confident120 Ų12071.2 Ų71.252%0.52235%0.345SS..PPolyproline II helixtrans-72.1154.2170.8-69.7173.4178.1174.10110.5T395 R396 G414 L415T395-K412 WeakPolarHBondContact O-CE 3.44Å; T395-K412 PolarHBondContact O-NZ 2.92Å; R396-K412 WeakPolarHBondContact O-CB 3.45Å; R396-K412 WeakPolarHBondContact O-CG 3.22Å; R396-K412 PolarHBondContact O-N 2.96Å; R396-K412 VanDerWaalsContact O-N 3.14Å; K412-G414 PolarHBondContact O-N 2.81Å; K412-L415 HydrophobicContact CB-CD1 4.44Å; K412-L415 WeakPolarHBondContact O-CB 3.47Å; K412-L415 PolarHBondContact O-N 2.91Å
413V88.4Confident82Confident86 Ų8672.9 Ų72.952%0.52135%0.354SS..THydrogen-bonded Turntrans-53.1131.4179.1-178.90000110.8S509 Q510V413-S509 VanDerWaalsContact CG1-O 3.28Å; V413-S509 WeakPolarHBondContact CG1-O 3.12Å; V413-Q510 HydrophobicContact CG1-CG 4.33Å
414G85.5Confident83Confident9 Ų961.5 Ų61.59%0.09331%0.312CS..THydrogen-bonded Turntrans91.40.9-173.200000114.9K412 L424 T508K412-G414 PolarHBondContact O-N 2.81Å; G414-L424 PolarHBondContact O-N 2.91Å; G414-T508 PolarHBondContact N-O 2.92Å
415L87.7Confident83.7Confident22 Ų2256.9 Ų56.912%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-126.9154.2-178-53.1-176.4000112.3R396 C411 K412 K422 D423R396-L415 HydrophobicContact CB-CD1 3.64Å; R396-L415 HydrophobicContact CG-CD1 3.81Å; R396-L415 VanDerWaalsContact NH2-CD2 3.35Å; R396-L415 WeakPolarHBondContact O-CD1 3.23Å; C411-L415 HydrophobicContact CB-CB 4.2Å; K412-L415 HydrophobicContact CB-CD1 4.44Å; K412-L415 WeakPolarHBondContact O-CB 3.47Å; K412-L415 PolarHBondContact O-N 2.91Å; L415-K422 WeakPolarHBondContact CA-O 3.38Å; L415-D423 HydrophobicContact CD2-CB 4.46Å; L415-D423 WeakPolarHBondContact CD2-OD1 3.32Å
416T86.6Confident84.7Confident5 Ų557.6 Ų57.63%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-149.7165.5-178.81800000111C420 E421 K422 L424 V453 D507T416-C420 CarbonylContact O-C 3.59Å; T416-E421 PolarHBondContact O-N 3.02Å; T416-K422 HydrophobicContact CG2-CB 3.88Å; T416-K422 PolarHBondContact N-O 2.78Å; T416-K422 PolarHBondContact O-N 2.92Å; T416-L424 HydrophobicContact CG2-CB 3.78Å; T416-L424 HydrophobicContact CG2-CD1 4.4Å; T416-V453 HydrophobicContact CG2-CG1 3.8Å; T416-D507 VanDerWaalsContact CA-OD2 3.3Å; T416-D507 WeakPolarHBondContact CA-OD2 3.41Å; T416-D507 PolarHBondContact OG1-OD2 3.06Å
417G82.8Confident85.3Confident16 Ų1653.3 Ų53.317%0.16528%0.278CS..SBendtrans123.8-169.6175.300000112.8E421 K502G417-E421 VanDerWaalsContact CA-OE2 3.3Å; G417-E421 WeakPolarHBondContact CA-OE2 3.05Å; G417-K502 WeakPolarHBondContact O-CE 3.03Å; G417-K502 PolarHBondContact O-NZ 2.05Å
418K82.9Confident85.5Confident116 Ų11654.5 Ų54.550%0.50429%0.294SS..SBendtrans-81.6-41.1176-167.9-158.6173.3-1610110.6Y407 C409 E421Y407-K418 PolarHBondContact OH-NZ 2.8Å; C409-K418 WeakPolarHBondContact CB-O 3.4Å; C409-K418 PolarHBondContact SG-O 2.94Å; C409-K418 VanDerWaalsContact SG-O 3.32Å; K418-E421 PolarHBondContact N-OE2 2.04Å
419D84.8Confident85.5Confident55 Ų5553.9 Ų53.929%0.29430%0.301SS..SBendtrans-110.513.2-174.4-47.6-39.6000110.5Y407 E421Y407-D419 WeakPolarHBondContact CE2-OD1 3.48Å; Y407-D419 PolarHBondContact OH-OD1 2.97Å; D419-E421 PolarHBondContact N-OE2 2.86Å; D419-E421 PolarHBondContact O-N 2.85Å
420C86.1Confident85.5Confident0 Ų055.5 Ų55.50%031%0.308CS..SBendtrans59.232.7-169.6-50.40000113R396 C411 T416 K422R396-C420 HydrophobicContact CB-CB 4.02Å; R396-C420 VanDerWaalsContact CZ-O 3.31Å; R396-C420 PolarHBondContact NE-O 2.86Å; R396-C420 PolarHBondContact NH2-O 2.04Å; C411-C420 WeakPolarHBondContact CA-SG 3.15Å; C411-C420 HydrophobicContact CB-CB 3.87Å; C411-C420 WeakPolarHBondContact CB-SG 3Å; C411-C420 WeakPolarHBondContact SG-CA 3.45Å; C411-C420 WeakPolarHBondContact SG-CB 3.3Å; C411-C420 CovalentContact SG-SG 2.04Å; C411-C420 PolarHBondContact SG-SG 2.86Å; T416-C420 CarbonylContact O-C 3.59Å; C420-K422 VanDerWaalsContact C-N 3.33Å; C420-K422 PolarHBondContact O-N 3.46Å
421E84.9Confident85.4Confident84 Ų8455.1 Ų55.139%0.39330%0.301SS..  trans-79.7-10.5-170.977.7-61.7158.100114.3T416 G417 K418 D419T416-E421 PolarHBondContact O-N 3.02Å; G417-E421 VanDerWaalsContact CA-OE2 3.3Å; G417-E421 WeakPolarHBondContact CA-OE2 3.05Å; K418-E421 PolarHBondContact N-OE2 2.04Å; D419-E421 PolarHBondContact N-OE2 2.86Å; D419-E421 PolarHBondContact O-N 2.85Å
422K83.8Confident85.3Confident112 Ų11257.1 Ų57.149%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-119.4151-178.3-66.2165.1-169.7158.20110.9L415 T416 C420L415-K422 WeakPolarHBondContact CA-O 3.38Å; T416-K422 HydrophobicContact CG2-CB 3.88Å; T416-K422 PolarHBondContact N-O 2.78Å; T416-K422 PolarHBondContact O-N 2.92Å; C420-K422 VanDerWaalsContact C-N 3.33Å; C420-K422 PolarHBondContact O-N 3.46Å
423D84.4Confident85.2Confident100 Ų10055.1 Ų55.154%0.53531%0.307SS..EExtended strand (participates in β ladder)trans-91.7138.5175.3-53.7-32.6000109.5R396 L415R396-D423 IonicContact CZ-OD1 2.91Å; R396-D423 IonicContact NH1-OD1 3.83Å; R396-D423 PolarHBondContact NH1-OD1 3.04Å; R396-D423 VanDerWaalsContact NH1-OD1 3.12Å; R396-D423 IonicContact NH2-OD1 2.74Å; R396-D423 PolarHBondContact NH2-OD1 3.49Å; L415-D423 HydrophobicContact CD2-CB 4.46Å; L415-D423 WeakPolarHBondContact CD2-OD1 3.32Å
424L86.1Confident85Confident12 Ų1255.2 Ų55.26%0.06330%0.298CS..  trans-109.693.6-179.9-178.157.5000108.8G414 T416 K500 D507 S509G414-L424 PolarHBondContact O-N 2.91Å; T416-L424 HydrophobicContact CG2-CB 3.78Å; T416-L424 HydrophobicContact CG2-CD1 4.4Å; L424-K500 HydrophobicContact CD2-CB 4.38Å; L424-D507 HydrophobicContact CD2-CB 3.88Å; L424-S509 WeakPolarHBondContact O-CA 3.49Å; L424-S509 WeakPolarHBondContact O-CB 3.44Å
425L84.8Confident85.2Confident114 Ų11456.4 Ų56.460%0.59730%0.304SS*.PPolyproline II helixtrans-75147.1-175.8-56.8177.3000112S498L425-S498 WeakPolarHBondContact O-CB 2.98Å; L425-S498 PolarHBondContact O-OG 3.13Å
426P86.6Confident85.4Confident47 Ų4757.1 Ų57.131%0.30531%0.306SS..PPolyproline II helixtrans-61.1166.5164.925.4-32.6000111.9S428 Q510 A512P426-S428 PolarHBondContact O-N 3Å; P426-Q510 WeakPolarHBondContact CB-O 3.46Å; P426-A512 HydrophobicContact CB-CB 3.96Å
427P85.5Confident85.6Confident10 Ų1058.9 Ų58.97%0.06531%0.314CS..PPolyproline II helixtrans-55.2124.8165.723.7-33.6000110.7W444 F457 T496P427-W444 HydrophobicContact CB-CB 3.76Å; P427-W444 HydrophobicContact CB-CD2 4.26Å; P427-W444 HydrophobicContact CB-CG 3.59Å; P427-F457 HydrophobicContact CB-CD1 4.34Å; P427-F457 HydrophobicContact CB-CE1 3.83Å; P427-F457 HydrophobicContact CB-CZ 4.48Å; P427-F457 HydrophobicContact CG-CD1 4.34Å; P427-F457 HydrophobicContact CG-CE1 4.29Å; P427-T496 VanDerWaalsContact CG-OG1 3.23Å; P427-T496 WeakPolarHBondContact CG-OG1 3.35Å
428S84Confident86Confident73 Ų7362.2 Ų62.251%0.5133%0.328SS..THydrogen-bonded Turntrans-76.2157.6176.963.50000111.4P426 L430 W444 D445P426-S428 PolarHBondContact O-N 3Å; S428-L430 PolarHBondContact O-N 2.7Å; S428-W444 WeakPolarHBondContact O-CB 3.48Å; S428-D445 VanDerWaalsContact CB-OD2 3.3Å; S428-D445 WeakPolarHBondContact CB-OD2 3.48Å; S428-D445 PolarHBondContact O-N 3.48Å; S428-D445 WeakPolarHBondContact OG-CB 3.39Å; S428-D445 PolarHBondContact OG-OD2 2.77Å
429G82.1Confident86.4Confident42 Ų4258.6 Ų58.643%0.43331%0.313SS..THydrogen-bonded Turntrans62.626.9174.700000114.5H431 D445G429-H431 PolarHBondContact O-N 2.93Å; G429-H431 VanDerWaalsContact O-N 3.12Å; G429-H431 PolarHBondContact O-ND1 3.16Å; G429-D445 WeakPolarHBondContact CA-OD2 3.3Å; G429-D445 PolarHBondContact N-OD2 2.85Å
430L85Confident86.8Confident44 Ų4456.1 Ų56.123%0.2330%0.3CS..  trans-57116.7176.7-178.170.4000110.5S428 R443 W444 T496 A512S428-L430 PolarHBondContact O-N 2.7Å; L430-R443 CarbonylContact C-O 3.59Å; L430-R443 WeakPolarHBondContact CA-O 3.24Å; L430-W444 HydrophobicContact CD1-CE3 3.94Å; L430-T496 HydrophobicContact CD1-CG2 3.88Å; L430-T496 HydrophobicContact CD2-CG2 4.08Å; L430-A512 HydrophobicContact CB-CB 4.34Å; L430-A512 HydrophobicContact CD2-CB 3.75Å
431H84.5Confident87.1Confident72 Ų7258.4 Ų58.433%0.33331%0.311SS..EExtended strand (participates in β ladder)trans-138.2159.517860.3-83.1000111.8G429 R443G429-H431 PolarHBondContact O-N 2.93Å; G429-H431 VanDerWaalsContact O-N 3.12Å; G429-H431 PolarHBondContact O-ND1 3.16Å; H431-R443 PolarHBondContact N-O 3.42Å; H431-R443 PolarHBondContact ND1-O 3.11Å; H431-R443 WeakPolarHBondContact NE2-CD 3.26Å; H431-R443 PolarHBondContact O-N 2.88Å
432V85.8Confident87.4Confident61 Ų6154.5 Ų54.537%0.3729%0.292SS..EExtended strand (participates in β ladder)trans-96.8124.5177.4-165.50000107.9V435 V440 L442 I516V432-V435 HydrophobicContact CG1-CG2 3.59Å; V432-V440 HydrophobicContact CG1-CG1 4.19Å; V432-L442 HydrophobicContact CG2-CD2 4.46Å; V432-I516 HydrophobicContact CB-CD1 4.29Å; V432-I516 HydrophobicContact CG1-CD1 3.92Å; V432-I516 HydrophobicContact CG2-CD1 3.34Å; V432-I516 HydrophobicContact CG2-CG1 4.04Å
433L85.9Confident87.7Confident78 Ų7854.8 Ų54.841%0.40829%0.291SS..EExtended strand (participates in β ladder)trans-89.5-42.2176.7-71.5178.2000112E441 R443L433-E441 HydrophobicContact CB-CB 4.3Å; L433-E441 HydrophobicContact CB-CG 4.09Å; L433-E441 HydrophobicContact CD1-CG 4.22Å; L433-E441 PolarHBondContact N-O 3.28Å; L433-R443 HydrophobicContact CD1-CB 3.71Å; L433-R443 HydrophobicContact CD1-CG 4.4Å; L433-R443 HydrophobicContact CD2-CB 4.45Å; L433-R443 HydrophobicContact CG-CB 3.85Å
434R86Confident88Confident87 Ų8750.1 Ų50.133%0.32827%0.265SS..EExtended strand (participates in β ladder)trans-150.6143.2-170.7-165.4170.760.994.35.4110.7E436 E439 E441R434-E436 WeakPolarHBondContact CD-OE1 3.41Å; R434-E436 HydrophobicContact CG-CG 4.36Å; R434-E436 WeakPolarHBondContact CG-OE1 3.02Å; R434-E436 IonicContact CZ-OE1 2.8Å; R434-E436 IonicContact NH1-OE1 2.81Å; R434-E436 PolarHBondContact NH1-OE1 2.03Å; R434-E439 IonicContact CZ-OE2 3.12Å; R434-E439 IonicContact NH1-OE2 3.47Å; R434-E439 IonicContact NH2-OE2 2.74Å; R434-E439 PolarHBondContact NH2-OE2 2.97Å; R434-E441 HydrophobicContact CB-CB 3.8Å; R434-E441 IonicContact CZ-OE2 3.26Å; R434-E441 IonicContact NE-OE2 2.73Å; R434-E441 PolarHBondContact NE-OE2 2.88Å; R434-E441 IonicContact NH2-OE2 3.6Å; R434-E441 PolarHBondContact O-N 3.07Å
435V89.8Confident87.9Confident35 Ų3553.4 Ų53.421%0.21228%0.283CS..EExtended strand (participates in β ladder)trans-134.4119.4177.3-179.30000108.6V432 V440 I516 R517 R519V432-V435 HydrophobicContact CG1-CG2 3.59Å; V435-V440 HydrophobicContact CG1-CG2 4.27Å; V435-I516 HydrophobicContact CG1-CG2 4.21Å; V435-I516 HydrophobicContact CG2-CG2 3.72Å; V435-R517 WeakPolarHBondContact CG1-O 3.39Å; V435-R519 PolarHBondContact O-NE 3.49Å; V435-R519 PolarHBondContact O-NH2 2.03Å; V435-R519 VanDerWaalsContact O-NH2 3.16Å
436E91.8Very high87.3Confident36 Ų3653.9 Ų53.917%0.16828%0.282CS..  trans-119.2-169.2177.2-53.8-60.9177.400110.9R434 E439 R519 H608R434-E436 WeakPolarHBondContact CD-OE1 3.41Å; R434-E436 HydrophobicContact CG-CG 4.36Å; R434-E436 WeakPolarHBondContact CG-OE1 3.02Å; R434-E436 IonicContact CZ-OE1 2.8Å; R434-E436 IonicContact NH1-OE1 2.81Å; R434-E436 PolarHBondContact NH1-OE1 2.03Å; E436-E439 HydrophobicContact CB-CB 4.28Å; E436-E439 HydrophobicContact CG-CB 4.49Å; E436-E439 PolarHBondContact N-O 2.92Å; E436-R519 WeakPolarHBondContact O-CB 3.44Å; E436-R519 PolarHBondContact O-N 2.89Å; E436-R519 IonicContact OE2-NE 2.62Å; E436-H608 IonicContact OE2-CD2 2.62Å; E436-H608 IonicContact OE2-CE1 3.56Å; E436-H608 PolarHBondContact OE2-CE1 2.81Å; E436-H608 IonicContact OE2-NE2 3.66Å; E436-H608 PolarHBondContact OE2-NE2 2.77Å
437E90.3Very high86.2Confident42 Ų4253.1 Ų53.120%0.19628%0.277CS..SBendtrans-70.7-44.4-177.2-59.6-178.6-175.900111.3P488 R519E437-P488 HydrophobicContact CB-CB 4.25Å; E437-P488 HydrophobicContact CB-CG 4.07Å; E437-P488 VanDerWaalsContact O-CA 3.24Å; E437-P488 WeakPolarHBondContact O-CA 3.28Å; E437-R519 WeakPolarHBondContact CA-O 3.39Å; E437-R519 HydrophobicContact CG-CB 3.92Å; E437-R519 HydrophobicContact CG-CG 4.04Å
438N90.4Very high85Confident87 Ų8757.3 Ų57.347%0.46530%0.299SS..SBendtrans-120.5-0.8-17866.4-29.5000114.5L486N438-L486 WeakPolarHBondContact CA-O 3.44Å; N438-L486 WeakPolarHBondContact O-CB 3.01Å; N438-L486 WeakPolarHBondContact O-CG 3.3Å; N438-L486 PolarHBondContact O-N 3.19Å; N438-L486 VanDerWaalsContact O-N 3.09Å
439E92.6Very high83.6Confident40 Ų4062 Ų6219%0.18731%0.312CS..  trans-127.4146.3-179.3-62.7-164.9144.600113.1R434 E436 V482 L483 Q484R434-E439 IonicContact CZ-OE2 3.12Å; R434-E439 IonicContact NH1-OE2 3.47Å; R434-E439 IonicContact NH2-OE2 2.74Å; R434-E439 PolarHBondContact NH2-OE2 2.97Å; E436-E439 HydrophobicContact CB-CB 4.28Å; E436-E439 HydrophobicContact CG-CB 4.49Å; E436-E439 PolarHBondContact N-O 2.92Å; E439-V482 HydrophobicContact CB-CG1 4.13Å; E439-V482 HydrophobicContact CG-CG1 4.22Å; E439-L483 VanDerWaalsContact CA-O 3.26Å; E439-L483 WeakPolarHBondContact CA-O 3.03Å; E439-Q484 HydrophobicContact CG-CG 4.35Å; E439-Q484 PolarHBondContact OE1-NE2 3.03Å
440V92.4Very high82Confident2 Ų263.8 Ų63.81%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-134.5125.5167.5169.20000109.3V432 V435 L442 V482 L483 L486 I494 I516 T518V432-V440 HydrophobicContact CG1-CG1 4.19Å; V435-V440 HydrophobicContact CG1-CG2 4.27Å; V440-L442 HydrophobicContact CG1-CD2 3.87Å; V440-L442 HydrophobicContact CG1-CG 4.3Å; V440-V482 WeakPolarHBondContact O-CA 3.36Å; V440-L483 HydrophobicContact CB-CB 4.34Å; V440-L483 HydrophobicContact CB-CD1 4.32Å; V440-L483 HydrophobicContact CB-CG 4.48Å; V440-L483 HydrophobicContact CG1-CD1 4.49Å; V440-L483 PolarHBondContact N-O 3.48Å; V440-L483 PolarHBondContact O-N 3.04Å; V440-L486 HydrophobicContact CB-CD1 3.92Å; V440-L486 HydrophobicContact CG2-CD1 3.59Å; V440-I494 HydrophobicContact CG1-CD1 4.42Å; V440-I516 HydrophobicContact CG1-CD1 3.72Å; V440-I516 HydrophobicContact CG1-CG2 4.31Å; V440-I516 HydrophobicContact CG2-CG2 4.07Å; V440-T518 HydrophobicContact CG2-CG2 4.16Å
441E91.9Very high80.5Confident49 Ų4966.3 Ų66.323%0.22933%0.329CS..EExtended strand (participates in β ladder)trans-101.4119.3-178.7-169.9172.7164.300110.6L433 R434 V482L433-E441 HydrophobicContact CB-CB 4.3Å; L433-E441 HydrophobicContact CB-CG 4.09Å; L433-E441 HydrophobicContact CD1-CG 4.22Å; L433-E441 PolarHBondContact N-O 3.28Å; R434-E441 HydrophobicContact CB-CB 3.8Å; R434-E441 IonicContact CZ-OE2 3.26Å; R434-E441 IonicContact NE-OE2 2.73Å; R434-E441 PolarHBondContact NE-OE2 2.88Å; R434-E441 IonicContact NH2-OE2 3.6Å; R434-E441 PolarHBondContact O-N 3.07Å; E441-V482 HydrophobicContact CB-CG2 4.37Å; E441-V482 HydrophobicContact CG-CG2 4Å
442L91.7Very high79.2Confident1 Ų173.5 Ų73.51%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-109.7145.7-177.4-56.8173.7000110.1V432 V440 W444 V459 T480 H481 L483 I494 I516V432-L442 HydrophobicContact CG2-CD2 4.46Å; V440-L442 HydrophobicContact CG1-CD2 3.87Å; V440-L442 HydrophobicContact CG1-CG 4.3Å; L442-W444 HydrophobicContact CB-CZ3 4.13Å; L442-V459 HydrophobicContact CD1-CG1 3.93Å; L442-T480 VanDerWaalsContact O-CA 3.28Å; L442-T480 WeakPolarHBondContact O-CA 3.48Å; L442-H481 PolarHBondContact N-O 3.05Å; L442-H481 PolarHBondContact O-N 3.09Å; L442-L483 HydrophobicContact CD1-CD1 4.19Å; L442-L483 HydrophobicContact CD1-CD2 4.26Å; L442-L483 HydrophobicContact CD1-CG 4.15Å; L442-I494 HydrophobicContact CD1-CG2 3.83Å; L442-I516 HydrophobicContact CD2-CD1 3.9Å
443R90.1Very high78.2Confident119 Ų11973.3 Ų73.345%0.44935%0.352SS..EExtended strand (participates in β ladder)trans-139.3150.2172-179.4171170.6-168.3-0.8111.1L430 H431 L433 S479 T480L430-R443 CarbonylContact C-O 3.59Å; L430-R443 WeakPolarHBondContact CA-O 3.24Å; H431-R443 PolarHBondContact N-O 3.42Å; H431-R443 PolarHBondContact ND1-O 3.11Å; H431-R443 WeakPolarHBondContact NE2-CD 3.26Å; H431-R443 PolarHBondContact O-N 2.88Å; L433-R443 HydrophobicContact CD1-CB 3.71Å; L433-R443 HydrophobicContact CD1-CG 4.4Å; L433-R443 HydrophobicContact CD2-CB 4.45Å; L433-R443 HydrophobicContact CG-CB 3.85Å; R443-S479 CarbonylContact C-O 3.55Å; R443-S479 VanDerWaalsContact CA-O 3.3Å; R443-S479 WeakPolarHBondContact CA-O 3.44Å; R443-S479 WeakPolarHBondContact CG-O 3.04Å; R443-T480 HydrophobicContact CB-CG2 3.97Å; R443-T480 HydrophobicContact CG-CG2 3.81Å
444W90.1Very high77.9Confident2 Ų270.2 Ų70.21%0.00834%0.336CS..  trans-137.1173.4170.648.797.3000109.8P427 S428 L430 L442 F457 V459 L474 R478 S479 H481P427-W444 HydrophobicContact CB-CB 3.76Å; P427-W444 HydrophobicContact CB-CD2 4.26Å; P427-W444 HydrophobicContact CB-CG 3.59Å; S428-W444 WeakPolarHBondContact O-CB 3.48Å; L430-W444 HydrophobicContact CD1-CE3 3.94Å; L442-W444 HydrophobicContact CB-CZ3 4.13Å; W444-F457 HydrophobicContact CZ2-CD2 4.05Å; W444-F457 HydrophobicContact CZ2-CE2 4.41Å; W444-F457 HydrophobicContact CZ2-CG 4.39Å; W444-F457 AromaticContact NE1-CD2 3.84Å; W444-F457 AromaticContact NE1-CE2 3.36Å; W444-F457 AromaticContact NE1-CZ 3.45Å; W444-V459 HydrophobicContact CH2-CG2 4.45Å; W444-L474 HydrophobicContact CH2-CD1 3.66Å; W444-L474 HydrophobicContact CZ2-CD1 4.1Å; W444-R478 WeakPolarHBondContact CZ2-O 3.46Å; W444-R478 PolarHBondContact NE1-O 2.61Å; W444-S479 PolarHBondContact N-O 3Å; W444-H481 HydrophobicContact CH2-CB 3.83Å; W444-H481 HydrophobicContact CZ3-CB 4.17Å
445D84.8Confident77.7Confident80 Ų8067.7 Ų67.743%0.42833%0.331SS..PPolyproline II helixtrans-66.2144.7174.5-53.2-44.1000110S428 G429S428-D445 VanDerWaalsContact CB-OD2 3.3Å; S428-D445 WeakPolarHBondContact CB-OD2 3.48Å; S428-D445 PolarHBondContact O-N 3.48Å; S428-D445 WeakPolarHBondContact OG-CB 3.39Å; S428-D445 PolarHBondContact OG-OD2 2.77Å; G429-D445 WeakPolarHBondContact CA-OD2 3.3Å; G429-D445 PolarHBondContact N-OD2 2.85Å
446Q72.2Confident77.7Confident124 Ų12467.9 Ų67.958%0.57933%0.33SS*.PPolyproline II helixtrans-71.1128.5174.4-170.4172.33.100109.2D448Q446-D448 PolarHBondContact O-N 3.38Å
447P63.5Low77.7Confident32 Ų3266.3 Ų66.321%0.20832%0.323CS..PPolyproline II helixtrans-63.3125.6-178.924.2-33.2000110.8H451 L454 F457 K476P447-H451 HydrophobicContact CB-CB 4.19Å; P447-L454 HydrophobicContact CG-CD2 4.3Å; P447-F457 HydrophobicContact CG-CZ 4.27Å; P447-K476 WeakPolarHBondContact CG-O 3.36Å
448D59.4Low77.8Confident98 Ų9864.4 Ų64.452%0.52432%0.315SS..PPolyproline II helixtrans-59.1154.8-179.4173.546.1000112Q446 S450 H451Q446-D448 PolarHBondContact O-N 3.38Å; D448-S450 PolarHBondContact O-N 3.2Å; D448-S450 WeakPolarHBondContact OD2-CB 3.41Å; D448-S450 PolarHBondContact OD2-OG 2.88Å; D448-H451 WeakPolarHBondContact O-CB 3.5Å; D448-H451 PolarHBondContact O-N 2.89Å
449H54.9Low78Confident170 Ų17060.3 Ų60.379%0.78729%0.293SS*.THydrogen-bonded Turntrans-60.7-15.7-173.9-65.3-42.6000114.2H451H449-H451 VanDerWaalsContact C-N 3.34Å
450S48.7Very low78Confident80 Ų8060 Ų6056%0.55929%0.294SS*.THydrogen-bonded Turntrans-65.3-28.3168.755.50000113.9D448 R452D448-S450 PolarHBondContact O-N 3.2Å; D448-S450 WeakPolarHBondContact OD2-CB 3.41Å; D448-S450 PolarHBondContact OD2-OG 2.88Å; S450-R452 PolarHBondContact O-N 2.88Å
451H54.6Low78.1Confident98 Ų9860.3 Ų60.345%0.45430%0.295SS..  trans-7841.5-174.3-69.5-96.3000114.8P447 D448 H449 V453 L454P447-H451 HydrophobicContact CB-CB 4.19Å; D448-H451 WeakPolarHBondContact O-CB 3.5Å; D448-H451 PolarHBondContact O-N 2.89Å; H449-H451 VanDerWaalsContact C-N 3.34Å; H451-V453 PolarHBondContact O-N 2.03Å; H451-L454 PolarHBondContact O-N 2.81Å
452R56.3Low78Confident222 Ų22259 Ų5984%0.83829%0.292SS*.THydrogen-bonded Turntrans-56.6-13.2172-64.7-172.3179.5-164.60.6114S450S450-R452 PolarHBondContact O-N 2.88Å
453V64.8Low77.8Confident57 Ų5760.4 Ų60.435%0.34530%0.301SS..THydrogen-bonded Turntrans-72.3-29.5175.9-171.40000112.4T416 H451 K500T416-V453 HydrophobicContact CG2-CG1 3.8Å; H451-V453 PolarHBondContact O-N 2.03Å; V453-K500 HydrophobicContact CG1-CG 4.42Å; V453-K500 WeakPolarHBondContact O-CD 3.21Å; V453-K500 WeakPolarHBondContact O-CE 3.47Å; V453-K500 PolarHBondContact O-NZ 3.33Å
454L78.9Confident77.4Confident14 Ų1459.4 Ų59.47%0.07330%0.304CS..  trans-67.7137.8-179.2-170.864.7000112P447 H451 M456 F457 K476P447-L454 HydrophobicContact CG-CD2 4.3Å; H451-L454 PolarHBondContact O-N 2.81Å; L454-M456 WeakPolarHBondContact CD1-O 3.28Å; L454-F457 HydrophobicContact CD1-CE1 4.46Å; L454-F457 HydrophobicContact CD2-CD1 4.33Å; L454-F457 HydrophobicContact CD2-CD2 4.43Å; L454-F457 HydrophobicContact CD2-CE1 3.67Å; L454-F457 HydrophobicContact CD2-CE2 3.8Å; L454-F457 HydrophobicContact CD2-CZ 3.38Å; L454-K476 HydrophobicContact CB-CB 4.44Å; L454-K476 HydrophobicContact CD2-CB 3.71Å; L454-K476 HydrophobicContact CG-CB 3.87Å; L454-K476 WeakPolarHBondContact O-CD 3.34Å
455S83.4Confident76.4Confident33 Ų3362.6 Ų62.623%0.23134%0.338CS..  trans-100-47.6168.7-69.90000111.9I499 K500 L501S455-I499 WeakPolarHBondContact CB-O 3.45Å; S455-I499 PolarHBondContact N-O 2.85Å; S455-K500 WeakPolarHBondContact OG-CD 3.41Å; S455-K500 PolarHBondContact OG-NZ 3.25Å; S455-L501 PolarHBondContact OG-N 3.43Å
456M88.8Confident75.2Confident39 Ų3967.2 Ų67.219%0.19236%0.362CS..EExtended strand (participates in β ladder)trans-162167.3-172.964.2-164.3-54.300110.7L454 Y473 L474 I499 L501L454-M456 WeakPolarHBondContact CD1-O 3.28Å; M456-Y473 HydrophobicContact CE-CD1 3.7Å; M456-Y473 HydrophobicContact CE-CG 4.07Å; M456-L474 CarbonylContact C-O 3.57Å; M456-L474 WeakPolarHBondContact CA-O 3.18Å; M456-L474 VanDerWaalsContact CB-O 3.27Å; M456-L474 WeakPolarHBondContact CB-O 3.22Å; M456-I499 HydrophobicContact CG-CB 3.74Å; M456-I499 HydrophobicContact CG-CG2 4.05Å; M456-I499 PolarHBondContact N-O 2.9Å; M456-I499 PolarHBondContact O-N 2.87Å; M456-I499 HydrophobicContact SD-CG2 4.4Å; M456-L501 HydrophobicContact SD-CD1 4.11Å; M456-L501 HydrophobicContact SD-CD2 3.83Å; M456-L501 HydrophobicContact SD-CG 4.11Å
457F91.2Very high75.1Confident4 Ų463.5 Ų63.52%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-104.7158.9164.3-58.4-77.3000110.3P427 W444 P447 L454 L474 R478 V497P427-F457 HydrophobicContact CB-CD1 4.34Å; P427-F457 HydrophobicContact CB-CE1 3.83Å; P427-F457 HydrophobicContact CB-CZ 4.48Å; P427-F457 HydrophobicContact CG-CD1 4.34Å; P427-F457 HydrophobicContact CG-CE1 4.29Å; W444-F457 HydrophobicContact CZ2-CD2 4.05Å; W444-F457 HydrophobicContact CZ2-CE2 4.41Å; W444-F457 HydrophobicContact CZ2-CG 4.39Å; W444-F457 AromaticContact NE1-CD2 3.84Å; W444-F457 AromaticContact NE1-CE2 3.36Å; W444-F457 AromaticContact NE1-CZ 3.45Å; P447-F457 HydrophobicContact CG-CZ 4.27Å; L454-F457 HydrophobicContact CD1-CE1 4.46Å; L454-F457 HydrophobicContact CD2-CD1 4.33Å; L454-F457 HydrophobicContact CD2-CD2 4.43Å; L454-F457 HydrophobicContact CD2-CE1 3.67Å; L454-F457 HydrophobicContact CD2-CE2 3.8Å; L454-F457 HydrophobicContact CD2-CZ 3.38Å; F457-L474 HydrophobicContact CB-CB 4.31Å; F457-L474 PolarHBondContact N-O 2.9Å; F457-L474 PolarHBondContact O-N 2.84Å; F457-R478 WeakPolarHBondContact CE2-O 3.33Å; F457-V497 CarbonylContact C-O 3.47Å; F457-V497 WeakPolarHBondContact CA-O 3.43Å
458A93.2Very high75.9Confident2 Ų268.2 Ų68.22%0.01738%0.379CS..EExtended strand (participates in β ladder)trans-130.2140.2161.900000110.4T471 D472 Y473 T496 V497 I499A458-T471 HydrophobicContact CB-CG2 3.99Å; A458-D472 CarbonylContact C-O 3.53Å; A458-D472 WeakPolarHBondContact CA-O 3.48Å; A458-Y473 HydrophobicContact CB-CD1 3.69Å; A458-Y473 HydrophobicContact CB-CE1 3.73Å; A458-T496 WeakPolarHBondContact O-CA 3.45Å; A458-V497 HydrophobicContact CB-CG2 3.93Å; A458-V497 PolarHBondContact N-O 2.86Å; A458-V497 PolarHBondContact O-N 2.84Å; A458-I499 HydrophobicContact CB-CD1 3.6Å; A458-I499 HydrophobicContact CB-CG1 4.44Å
459V94.7Very high77.3Confident0 Ų067.5 Ų67.50%038%0.38CS..EExtended strand (participates in β ladder)trans-118.5110.9178.6-177.20000108.3L442 W444 Y461 T471 D472 L474 L483 I494 T496L442-V459 HydrophobicContact CD1-CG1 3.93Å; W444-V459 HydrophobicContact CH2-CG2 4.45Å; V459-Y461 HydrophobicContact CG1-CD1 4.48Å; V459-T471 CarbonylContact O-C 3.55Å; V459-T471 WeakPolarHBondContact O-CA 3.27Å; V459-D472 PolarHBondContact N-O 2.88Å; V459-D472 PolarHBondContact O-N 2.9Å; V459-L474 HydrophobicContact CG2-CD1 3.7Å; V459-L483 HydrophobicContact CG1-CD2 3.78Å; V459-I494 HydrophobicContact CG1-CG2 4.01Å; V459-T496 HydrophobicContact CB-CG2 4.4Å; V459-T496 HydrophobicContact CG1-CG2 4Å; V459-T496 HydrophobicContact CG2-CG2 3.89Å
460T93.1Very high79Confident34 Ų3463.1 Ų63.121%0.20936%0.358CS..EExtended strand (participates in β ladder)trans-107.7131-177.7-60.60000110.2P469 K470 T471 I494 S495T460-P469 HydrophobicContact CG2-CB 3.75Å; T460-K470 CarbonylContact C-O 3.52Å; T460-K470 VanDerWaalsContact CA-O 3.3Å; T460-K470 WeakPolarHBondContact CA-O 3.04Å; T460-T471 WeakPolarHBondContact CG2-OG1 3.44Å; T460-T471 WeakPolarHBondContact OG1-CG2 3.25Å; T460-T471 PolarHBondContact OG1-OG1 3.33Å; T460-I494 CarbonylContact O-C 3.57Å; T460-I494 WeakPolarHBondContact O-CA 2.98Å; T460-S495 PolarHBondContact N-O 2.69Å; T460-S495 PolarHBondContact O-N 2.74Å; T460-S495 PolarHBondContact O-OG 3.08Å
461Y92.9Very high81.1Confident9 Ų961.6 Ų61.64%0.03535%0.346CS..EExtended strand (participates in β ladder)trans-142.4139.2-173.353.3-75.1000112.9V459 P469 K470 D472 L483 L486 N493V459-Y461 HydrophobicContact CG1-CD1 4.48Å; Y461-P469 WeakPolarHBondContact O-CA 3.28Å; Y461-K470 WeakPolarHBondContact CD1-O 3.42Å; Y461-K470 HydrophobicContact CD2-CB 4.34Å; Y461-K470 HydrophobicContact CE1-CB 4.2Å; Y461-K470 HydrophobicContact CE1-CD 4.42Å; Y461-K470 HydrophobicContact CE1-CG 4.07Å; Y461-K470 HydrophobicContact CE2-CB 4.05Å; Y461-K470 HydrophobicContact CE2-CD 3.72Å; Y461-K470 HydrophobicContact CE2-CG 4.11Å; Y461-K470 PolarHBondContact N-O 3.17Å; Y461-K470 PolarHBondContact O-N 3.46Å; Y461-K470 VanDerWaalsContact OH-CD 3.3Å; Y461-K470 WeakPolarHBondContact OH-CD 3.39Å; Y461-K470 WeakPolarHBondContact OH-CE 3.48Å; Y461-K470 PolarHBondContact OH-NZ 2.93Å; Y461-D472 HydrophobicContact CE1-CB 4.45Å; Y461-D472 WeakPolarHBondContact CE1-OD2 3.04Å; Y461-D472 PolarHBondContact OH-OD1 3.43Å; Y461-D472 PolarHBondContact OH-OD2 2.03Å; Y461-L483 HydrophobicContact CD1-CD1 4.32Å; Y461-L483 HydrophobicContact CD1-CD2 3.83Å; Y461-L483 HydrophobicContact CD2-CD1 4.23Å; Y461-L483 HydrophobicContact CE1-CD2 3.66Å; Y461-L483 HydrophobicContact CE2-CB 4.38Å; Y461-L483 HydrophobicContact CE2-CD2 4.5Å; Y461-L483 HydrophobicContact CG-CD1 4.04Å; Y461-L483 HydrophobicContact CG-CD2 4.34Å; Y461-L486 HydrophobicContact CD2-CD2 3.68Å; Y461-L486 HydrophobicContact CE2-CD2 3.65Å; Y461-N493 WeakPolarHBondContact CA-O 3.21Å
462A90.1Very high82.9Confident20 Ų2058.7 Ų58.717%0.16533%0.333CS..EExtended strand (participates in β ladder)trans-147.8138.8177.500000110.9P469 Y492 N493A462-P469 HydrophobicContact CB-CB 4.13Å; A462-Y492 WeakPolarHBondContact O-CA 2.82Å; A462-N493 PolarHBondContact N-O 2.83Å; A462-N493 VanDerWaalsContact N-O 3.11Å; A462-N493 PolarHBondContact O-N 2.76Å
463P88.3Confident84.6Confident31 Ų3155.3 Ų55.320%0.20132%0.322CS..EExtended strand (participates in β ladder)trans-67.113916628.5-32.6000110.6G465 S467 M490 L491 Y492P463-G465 PolarHBondContact O-N 2.83Å; P463-S467 WeakPolarHBondContact CD-OG 3.18Å; P463-S467 WeakPolarHBondContact CG-OG 3.46Å; P463-S467 PolarHBondContact O-OG 2.86Å; P463-M490 HydrophobicContact CB-CB 4.49Å; P463-M490 HydrophobicContact CB-CE 4.22Å; P463-L491 WeakPolarHBondContact CA-O 3.01Å; P463-Y492 HydrophobicContact CB-CD1 4.32Å; P463-Y492 HydrophobicContact CB-CE1 4Å; P463-Y492 HydrophobicContact CB-CE2 4.41Å; P463-Y492 HydrophobicContact CG-CE1 4.11Å
464L81.6Confident85.8Confident98 Ų9853 Ų5351%0.51331%0.308SS..THydrogen-bonded Turntrans-69.7104.9178.6-73.1172.8000110.5L491 N493 L515L464-L491 HydrophobicContact CD1-CD2 3.81Å; L464-L491 HydrophobicContact CD1-CG 3.98Å; L464-L491 PolarHBondContact N-O 3.11Å; L464-N493 HydrophobicContact CD2-CB 4.16Å; L464-N493 HydrophobicContact CG-CB 4.44Å; L464-L515 HydrophobicContact CD1-CD2 3.92Å
465G68.6Low86.1Confident70 Ų7056.8 Ų56.872%0.72233%0.327SS*.THydrogen-bonded Turntrans162.135.6-178.200000115.1P463P463-G465 PolarHBondContact O-N 2.83Å
466N59Low86.1Confident176 Ų17659.2 Ų59.294%0.94133%0.334SS*.THydrogen-bonded Turntrans62.444.5-178.9-158.840.2000115
467S71.8Confident85.7Confident47 Ų4762.9 Ų62.933%0.32935%0.351SS..PPolyproline II helixtrans-95.9157.3174.262.40000113.2P463P463-S467 WeakPolarHBondContact CD-OG 3.18Å; P463-S467 WeakPolarHBondContact CG-OG 3.46Å; P463-S467 PolarHBondContact O-OG 2.86Å
468T80.2Confident85.4Confident130 Ų13069.1 Ų69.180%0.79837%0.374SS*.PPolyproline II helixtrans-70.6128.8168.650.70000111.7
469P87.4Confident85Confident84 Ų8470.4 Ų70.455%0.54538%0.383SS..PPolyproline II helixtrans-71.5137.9176.328.9-34000112.6T460 Y461 A462T460-P469 HydrophobicContact CG2-CB 3.75Å; Y461-P469 WeakPolarHBondContact O-CA 3.28Å; A462-P469 HydrophobicContact CB-CB 4.13Å
470K90.6Very high84.7Confident78 Ų7873.3 Ų73.334%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-93.7139.6169.1-174.7173170.2-164.70108.1T460 Y461 Q484 D485T460-K470 CarbonylContact C-O 3.52Å; T460-K470 VanDerWaalsContact CA-O 3.3Å; T460-K470 WeakPolarHBondContact CA-O 3.04Å; Y461-K470 WeakPolarHBondContact CD1-O 3.42Å; Y461-K470 HydrophobicContact CD2-CB 4.34Å; Y461-K470 HydrophobicContact CE1-CB 4.2Å; Y461-K470 HydrophobicContact CE1-CD 4.42Å; Y461-K470 HydrophobicContact CE1-CG 4.07Å; Y461-K470 HydrophobicContact CE2-CB 4.05Å; Y461-K470 HydrophobicContact CE2-CD 3.72Å; Y461-K470 HydrophobicContact CE2-CG 4.11Å; Y461-K470 PolarHBondContact N-O 3.17Å; Y461-K470 PolarHBondContact O-N 3.46Å; Y461-K470 VanDerWaalsContact OH-CD 3.3Å; Y461-K470 WeakPolarHBondContact OH-CD 3.39Å; Y461-K470 WeakPolarHBondContact OH-CE 3.48Å; Y461-K470 PolarHBondContact OH-NZ 2.93Å; K470-Q484 PolarHBondContact NZ-O 2.81Å; K470-D485 IonicContact NZ-OD2 3.78Å; K470-D485 PolarHBondContact NZ-OD2 2.86Å
471T92.7Very high84.7Confident48 Ų4872.9 Ų72.929%0.29440%0.397SS..EExtended strand (participates in β ladder)trans-129.7115.9-179.6-610000110.6A458 V459 T460 Y473A458-T471 HydrophobicContact CB-CG2 3.99Å; V459-T471 CarbonylContact O-C 3.55Å; V459-T471 WeakPolarHBondContact O-CA 3.27Å; T460-T471 WeakPolarHBondContact CG2-OG1 3.44Å; T460-T471 WeakPolarHBondContact OG1-CG2 3.25Å; T460-T471 PolarHBondContact OG1-OG1 3.33Å; T471-Y473 HydrophobicContact CG2-CD2 4.42Å; T471-Y473 HydrophobicContact CG2-CE1 4.17Å; T471-Y473 HydrophobicContact CG2-CE2 3.9Å
472D92.8Very high84.8Confident36 Ų3674.6 Ų74.619%0.19341%0.408CS..EExtended strand (participates in β ladder)trans-95.3133.5174.8-60.6-22.3000109.9A458 V459 Y461 H481A458-D472 CarbonylContact C-O 3.53Å; A458-D472 WeakPolarHBondContact CA-O 3.48Å; V459-D472 PolarHBondContact N-O 2.88Å; V459-D472 PolarHBondContact O-N 2.9Å; Y461-D472 HydrophobicContact CE1-CB 4.45Å; Y461-D472 WeakPolarHBondContact CE1-OD2 3.04Å; Y461-D472 PolarHBondContact OH-OD1 3.43Å; Y461-D472 PolarHBondContact OH-OD2 2.03Å; D472-H481 IonicContact OD2-CD2 3.4Å; D472-H481 IonicContact OD2-CE1 2.76Å; D472-H481 IonicContact OD2-NE2 3.98Å; D472-H481 PolarHBondContact OD2-NE2 2.66Å
473Y92.3Very high84.9Confident152 Ų15273.7 Ų73.760%0.59640%0.4SS*.EExtended strand (participates in β ladder)trans-104.8132.8-179.7-69.8-78.8000111M456 A458 T471 I499M456-Y473 HydrophobicContact CE-CD1 3.7Å; M456-Y473 HydrophobicContact CE-CG 4.07Å; A458-Y473 HydrophobicContact CB-CD1 3.69Å; A458-Y473 HydrophobicContact CB-CE1 3.73Å; T471-Y473 HydrophobicContact CG2-CD2 4.42Å; T471-Y473 HydrophobicContact CG2-CE1 4.17Å; T471-Y473 HydrophobicContact CG2-CE2 3.9Å; Y473-I499 HydrophobicContact CE1-CD1 4.19Å
474L90.5Very high85.1Confident9 Ų977 Ų775%0.04741%0.413CS..EExtended strand (participates in β ladder)trans-131.8141.9-167.6-56.7173.7000112.3W444 M456 F457 V459 H481W444-L474 HydrophobicContact CH2-CD1 3.66Å; W444-L474 HydrophobicContact CZ2-CD1 4.1Å; M456-L474 CarbonylContact C-O 3.57Å; M456-L474 WeakPolarHBondContact CA-O 3.18Å; M456-L474 VanDerWaalsContact CB-O 3.27Å; M456-L474 WeakPolarHBondContact CB-O 3.22Å; F457-L474 HydrophobicContact CB-CB 4.31Å; F457-L474 PolarHBondContact N-O 2.9Å; F457-L474 PolarHBondContact O-N 2.84Å; V459-L474 HydrophobicContact CG2-CD1 3.7Å; L474-H481 HydrophobicContact CD1-CB 3.65Å
475D85.9Confident85.4Confident92 Ų9278.6 Ų78.649%0.49242%0.422SS..EExtended strand (participates in β ladder)trans-59.1140.5172.1-167.3-62.8000111.1Q477 R478D475-Q477 PolarHBondContact O-N 2.74Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.49Å; D475-Q477 WeakPolarHBondContact OD1-CG 3.34Å; D475-Q477 PolarHBondContact OD1-N 3.21Å; D475-R478 WeakPolarHBondContact O-CB 3.4Å; D475-R478 PolarHBondContact O-N 2.9Å
476K83.4Confident86.4Confident84 Ų8475.7 Ų75.737%0.36539%0.39SS..THydrogen-bonded Turntrans-52.3-21174.260.7-178.8-179.4-174.80115.1P447 L454P447-K476 WeakPolarHBondContact CG-O 3.36Å; L454-K476 HydrophobicContact CB-CB 4.44Å; L454-K476 HydrophobicContact CD2-CB 3.71Å; L454-K476 HydrophobicContact CG-CB 3.87Å; L454-K476 WeakPolarHBondContact O-CD 3.34Å
477Q80.3Confident87.8Confident117 Ų11771.1 Ų71.155%0.54737%0.368SS..THydrogen-bonded Turntrans-82.3-10.7176.1-62.2-63.8-4.600113.7D475D475-Q477 PolarHBondContact O-N 2.74Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.49Å; D475-Q477 WeakPolarHBondContact OD1-CG 3.34Å; D475-Q477 PolarHBondContact OD1-N 3.21Å
478R83.9Confident88.7Confident134 Ų13470.3 Ų70.351%0.50636%0.362SS..  trans-79.6127.9175-69.5-170.5174.6-158.5-0.4110.7W444 F457 D475W444-R478 WeakPolarHBondContact CZ2-O 3.46Å; W444-R478 PolarHBondContact NE1-O 2.61Å; F457-R478 WeakPolarHBondContact CE2-O 3.33Å; D475-R478 WeakPolarHBondContact O-CB 3.4Å; D475-R478 PolarHBondContact O-N 2.9Å
479S84.9Confident89Confident29 Ų2964.1 Ų64.120%0.20332%0.324CS..  trans-106.5-1.8169.3510000113R443 W444R443-S479 CarbonylContact C-O 3.55Å; R443-S479 VanDerWaalsContact CA-O 3.3Å; R443-S479 WeakPolarHBondContact CA-O 3.44Å; R443-S479 WeakPolarHBondContact CG-O 3.04Å; W444-S479 PolarHBondContact N-O 3Å
480T88.4Confident89Confident62 Ų6263.2 Ų63.238%0.3831%0.313SS..EExtended strand (participates in β ladder)trans-136.2152.6177.655.90000111.6L442 R443L442-T480 VanDerWaalsContact O-CA 3.28Å; L442-T480 WeakPolarHBondContact O-CA 3.48Å; R443-T480 HydrophobicContact CB-CG2 3.97Å; R443-T480 HydrophobicContact CG-CG2 3.81Å
481H93.3Very high88.8Confident25 Ų2561.2 Ų61.212%0.11631%0.306CS..EExtended strand (participates in β ladder)trans-151.3147.8170.9-174.441.6000111.3L442 W444 D472 L474L442-H481 PolarHBondContact N-O 3.05Å; L442-H481 PolarHBondContact O-N 3.09Å; W444-H481 HydrophobicContact CH2-CB 3.83Å; W444-H481 HydrophobicContact CZ3-CB 4.17Å; D472-H481 IonicContact OD2-CD2 3.4Å; D472-H481 IonicContact OD2-CE1 2.76Å; D472-H481 IonicContact OD2-NE2 3.98Å; D472-H481 PolarHBondContact OD2-NE2 2.66Å; L474-H481 HydrophobicContact CD1-CB 3.65Å
482V94.4Very high88.6Confident45 Ų4559.5 Ų59.527%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-112.8116.1173.5-178.70000107.7E439 V440 E441 Q484E439-V482 HydrophobicContact CB-CG1 4.13Å; E439-V482 HydrophobicContact CG-CG1 4.22Å; V440-V482 WeakPolarHBondContact O-CA 3.36Å; E441-V482 HydrophobicContact CB-CG2 4.37Å; E441-V482 HydrophobicContact CG-CG2 4Å; V482-Q484 HydrophobicContact CG1-CG 4.03Å
483L93.4Very high88.4Confident0 Ų060.9 Ų60.90%030%0.302CS..EExtended strand (participates in β ladder)trans-71.9134.8168-53.4-172.9000108.4E439 V440 L442 V459 Y461 L486 I494E439-L483 VanDerWaalsContact CA-O 3.26Å; E439-L483 WeakPolarHBondContact CA-O 3.03Å; V440-L483 HydrophobicContact CB-CB 4.34Å; V440-L483 HydrophobicContact CB-CD1 4.32Å; V440-L483 HydrophobicContact CB-CG 4.48Å; V440-L483 HydrophobicContact CG1-CD1 4.49Å; V440-L483 PolarHBondContact N-O 3.48Å; V440-L483 PolarHBondContact O-N 3.04Å; L442-L483 HydrophobicContact CD1-CD1 4.19Å; L442-L483 HydrophobicContact CD1-CD2 4.26Å; L442-L483 HydrophobicContact CD1-CG 4.15Å; V459-L483 HydrophobicContact CG1-CD2 3.78Å; Y461-L483 HydrophobicContact CD1-CD1 4.32Å; Y461-L483 HydrophobicContact CD1-CD2 3.83Å; Y461-L483 HydrophobicContact CD2-CD1 4.23Å; Y461-L483 HydrophobicContact CE1-CD2 3.66Å; Y461-L483 HydrophobicContact CE2-CB 4.38Å; Y461-L483 HydrophobicContact CE2-CD2 4.5Å; Y461-L483 HydrophobicContact CG-CD1 4.04Å; Y461-L483 HydrophobicContact CG-CD2 4.34Å; L483-L486 HydrophobicContact CB-CD1 4Å; L483-L486 HydrophobicContact CB-CD2 4.3Å; L483-L486 HydrophobicContact CB-CG 4.37Å; L483-I494 HydrophobicContact CD1-CD1 3.62Å; L483-I494 HydrophobicContact CD1-CG1 3.82Å; L483-I494 HydrophobicContact CD1-CG2 4.2Å
484Q90.8Very high88.4Confident100 Ų10053.7 Ų53.747%0.46727%0.273SS..  trans-129.3165.9179.5-62.8-170.1-49.900110.9E439 K470 V482 L486E439-Q484 HydrophobicContact CG-CG 4.35Å; E439-Q484 PolarHBondContact OE1-NE2 3.03Å; K470-Q484 PolarHBondContact NZ-O 2.81Å; V482-Q484 HydrophobicContact CG1-CG 4.03Å; Q484-L486 VanDerWaalsContact C-N 3.34Å
485D88.2Confident88.5Confident132 Ų13254.6 Ų54.671%0.70628%0.281SS*.SBendtrans64.531-174.4-36.4-56.9000113.8K470K470-D485 IonicContact NZ-OD2 3.78Å; K470-D485 PolarHBondContact NZ-OD2 2.86Å
486L90.2Very high88.8Confident9 Ų950.3 Ų50.35%0.04726%0.258CS..PPolyproline II helixtrans-80.1152.4176.7-50.6-179.8000111.7N438 V440 Y461 L483 Q484 Y492 T518N438-L486 WeakPolarHBondContact CA-O 3.44Å; N438-L486 WeakPolarHBondContact O-CB 3.01Å; N438-L486 WeakPolarHBondContact O-CG 3.3Å; N438-L486 PolarHBondContact O-N 3.19Å; N438-L486 VanDerWaalsContact O-N 3.09Å; V440-L486 HydrophobicContact CB-CD1 3.92Å; V440-L486 HydrophobicContact CG2-CD1 3.59Å; Y461-L486 HydrophobicContact CD2-CD2 3.68Å; Y461-L486 HydrophobicContact CE2-CD2 3.65Å; L483-L486 HydrophobicContact CB-CD1 4Å; L483-L486 HydrophobicContact CB-CD2 4.3Å; L483-L486 HydrophobicContact CB-CG 4.37Å; Q484-L486 VanDerWaalsContact C-N 3.34Å; L486-Y492 HydrophobicContact CB-CE2 4.17Å; L486-Y492 HydrophobicContact CD2-CD1 4.19Å; L486-Y492 HydrophobicContact CD2-CE1 3.69Å; L486-T518 HydrophobicContact CB-CG2 3.89Å; L486-T518 HydrophobicContact CD1-CG2 3.77Å
487V88.8Confident89.2Confident81 Ų8147.3 Ų47.349%0.49125%0.246SC..PPolyproline II helixtrans-86.4130176-177.90000109.1M490 Y492 T518V487-M490 HydrophobicContact CB-CB 4.42Å; V487-M490 HydrophobicContact CB-CG 3.95Å; V487-M490 HydrophobicContact CG1-CG 3.7Å; V487-Y492 PolarHBondContact N-OH 2.82Å; V487-T518 PolarHBondContact O-OG1 3.06Å
488P90.4Very high89.7Confident29 Ų2942 Ų4219%0.18822%0.222CC..THydrogen-bonded Turntrans-59.6143.6178.7-26.835.8000114.8E437 M490 R519 Q521E437-P488 HydrophobicContact CB-CB 4.25Å; E437-P488 HydrophobicContact CB-CG 4.07Å; E437-P488 VanDerWaalsContact O-CA 3.24Å; E437-P488 WeakPolarHBondContact O-CA 3.28Å; P488-M490 PolarHBondContact O-N 2.91Å; P488-M490 VanDerWaalsContact O-N 3.13Å; P488-R519 WeakPolarHBondContact CA-O 3.08Å; P488-R519 WeakPolarHBondContact CB-O 2.79Å; P488-Q521 HydrophobicContact CB-CG 3.73Å; P488-Q521 HydrophobicContact CG-CG 3.83Å
489G86.1Confident90Very high0 Ų036.2 Ų36.20%020%0.201CC..THydrogen-bonded Turntrans69.7-3.9177.300000116.6R517 T518 R519 S596G489-R517 WeakPolarHBondContact O-CG 3.37Å; G489-R517 PolarHBondContact O-NE 2.81Å; G489-R517 VanDerWaalsContact O-NE 3.07Å; G489-T518 VanDerWaalsContact CA-O 3.27Å; G489-T518 WeakPolarHBondContact CA-O 3.48Å; G489-T518 PolarHBondContact N-O 3.19Å; G489-T518 PolarHBondContact N-OG1 3.32Å; G489-R519 PolarHBondContact N-O 3.18Å; G489-S596 PolarHBondContact O-OG 3.15Å
490M87.3Confident90.1Very high65 Ų6537.3 Ų37.332%0.3220%0.202SC..  trans-83.4148-175.7-69.6-63.4-7300112.4P463 V487 P488 Y492 R517 T518 A549P463-M490 HydrophobicContact CB-CB 4.49Å; P463-M490 HydrophobicContact CB-CE 4.22Å; V487-M490 HydrophobicContact CB-CB 4.42Å; V487-M490 HydrophobicContact CB-CG 3.95Å; V487-M490 HydrophobicContact CG1-CG 3.7Å; P488-M490 PolarHBondContact O-N 2.91Å; P488-M490 VanDerWaalsContact O-N 3.13Å; M490-Y492 HydrophobicContact CB-CD2 4.36Å; M490-Y492 HydrophobicContact CB-CE2 3.79Å; M490-Y492 WeakPolarHBondContact O-CD2 2.96Å; M490-R517 WeakPolarHBondContact O-CA 3.16Å; M490-T518 PolarHBondContact N-OG1 2.97Å; M490-T518 PolarHBondContact O-N 3.49Å; M490-T518 PolarHBondContact O-OG1 3.22Å; M490-A549 HydrophobicContact SD-CB 4.38Å
491L86.8Confident90Very high37 Ų3738.2 Ų38.219%0.19420%0.204CC..EExtended strand (participates in β ladder)trans-92.2113.5178.5-175.264.5000110.1P463 L464 R517P463-L491 WeakPolarHBondContact CA-O 3.01Å; L464-L491 HydrophobicContact CD1-CD2 3.81Å; L464-L491 HydrophobicContact CD1-CG 3.98Å; L464-L491 PolarHBondContact N-O 3.11Å; L491-R517 HydrophobicContact CD1-CB 3.93Å
492Y87.8Confident89.2Confident11 Ų1140.2 Ų40.24%0.04321%0.213CC..EExtended strand (participates in β ladder)trans-98.1137.2-179.2-76-98.8000111.7A462 P463 L486 V487 M490 L515 I516 T518A462-Y492 WeakPolarHBondContact O-CA 2.82Å; P463-Y492 HydrophobicContact CB-CD1 4.32Å; P463-Y492 HydrophobicContact CB-CE1 4Å; P463-Y492 HydrophobicContact CB-CE2 4.41Å; P463-Y492 HydrophobicContact CG-CE1 4.11Å; L486-Y492 HydrophobicContact CB-CE2 4.17Å; L486-Y492 HydrophobicContact CD2-CD1 4.19Å; L486-Y492 HydrophobicContact CD2-CE1 3.69Å; V487-Y492 PolarHBondContact N-OH 2.82Å; M490-Y492 HydrophobicContact CB-CD2 4.36Å; M490-Y492 HydrophobicContact CB-CE2 3.79Å; M490-Y492 WeakPolarHBondContact O-CD2 2.96Å; Y492-L515 WeakPolarHBondContact O-CA 3.11Å; Y492-I516 PolarHBondContact N-O 3.22Å; Y492-I516 PolarHBondContact O-N 3.28Å; Y492-T518 HydrophobicContact CD2-CG2 3.92Å; Y492-T518 HydrophobicContact CE2-CG2 3.85Å
493N90Very high87.9Confident66 Ų6642.4 Ų42.435%0.35324%0.236SC..EExtended strand (participates in β ladder)trans-95.2119161.2-176.99000108.3Y461 A462 L464 L515Y461-N493 WeakPolarHBondContact CA-O 3.21Å; A462-N493 PolarHBondContact N-O 2.83Å; A462-N493 VanDerWaalsContact N-O 3.11Å; A462-N493 PolarHBondContact O-N 2.76Å; L464-N493 HydrophobicContact CD2-CB 4.16Å; L464-N493 HydrophobicContact CG-CB 4.44Å; N493-L515 HydrophobicContact CB-CD2 3.94Å
494I91.5Very high86.6Confident0 Ų050.3 Ų50.30%027%0.267CS..EExtended strand (participates in β ladder)trans-120.3125.4-175.7-65.1153.7000107.9V440 L442 V459 T460 L483 T513 A514 I516V440-I494 HydrophobicContact CG1-CD1 4.42Å; L442-I494 HydrophobicContact CD1-CG2 3.83Å; V459-I494 HydrophobicContact CG1-CG2 4.01Å; T460-I494 CarbonylContact O-C 3.57Å; T460-I494 WeakPolarHBondContact O-CA 2.98Å; L483-I494 HydrophobicContact CD1-CD1 3.62Å; L483-I494 HydrophobicContact CD1-CG1 3.82Å; L483-I494 HydrophobicContact CD1-CG2 4.2Å; I494-T513 CarbonylContact O-C 3.29Å; I494-T513 VanDerWaalsContact O-CA 3.28Å; I494-T513 WeakPolarHBondContact O-CA 3.01Å; I494-A514 PolarHBondContact N-O 3.24Å; I494-A514 PolarHBondContact O-N 2.05Å; I494-I516 HydrophobicContact CD1-CB 4.09Å; I494-I516 HydrophobicContact CD1-CD1 3.67Å; I494-I516 HydrophobicContact CD1-CG1 4.06Å
495S92.4Very high85.7Confident29 Ų2947.9 Ų47.920%0.20327%0.269CS..EExtended strand (participates in β ladder)trans-123.8124.1179.749.30000110.4T460 A512T460-S495 PolarHBondContact N-O 2.69Å; T460-S495 PolarHBondContact O-N 2.74Å; T460-S495 PolarHBondContact O-OG 3.08Å; S495-A512 WeakPolarHBondContact CA-O 3.32Å
496T91.7Very high85.5Confident1 Ų146 Ų461%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-105.2134.1174.369.20000109.8P427 L430 A458 V459 P511 A512P427-T496 VanDerWaalsContact CG-OG1 3.23Å; P427-T496 WeakPolarHBondContact CG-OG1 3.35Å; L430-T496 HydrophobicContact CD1-CG2 3.88Å; L430-T496 HydrophobicContact CD2-CG2 4.08Å; A458-T496 WeakPolarHBondContact O-CA 3.45Å; V459-T496 HydrophobicContact CB-CG2 4.4Å; V459-T496 HydrophobicContact CG1-CG2 4Å; V459-T496 HydrophobicContact CG2-CG2 3.89Å; T496-P511 WeakPolarHBondContact O-CA 3.43Å; T496-A512 PolarHBondContact N-O 3.01Å; T496-A512 PolarHBondContact O-N 3Å; T496-A512 PolarHBondContact OG1-O 2.98Å
497V92.5Very high85.4Confident22 Ų2245.9 Ų45.913%0.13326%0.258CS..EExtended strand (participates in β ladder)trans-129.7141.7178.9-70.70000111.3F457 A458 I499 S509 P511F457-V497 CarbonylContact C-O 3.47Å; F457-V497 WeakPolarHBondContact CA-O 3.43Å; A458-V497 HydrophobicContact CB-CG2 3.93Å; A458-V497 PolarHBondContact N-O 2.86Å; A458-V497 PolarHBondContact O-N 2.84Å; V497-I499 HydrophobicContact CG2-CD1 4.28Å; V497-I499 HydrophobicContact CG2-CG1 4.14Å; V497-S509 WeakPolarHBondContact CA-OG 3.47Å; V497-P511 HydrophobicContact CG1-CB 3.89Å
498S90.8Very high85.5Confident6 Ų644.4 Ų44.44%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-79.6135164.8-62.20000109.3L425 S509L425-S498 WeakPolarHBondContact O-CB 2.98Å; L425-S498 PolarHBondContact O-OG 3.13Å; S498-S509 PolarHBondContact N-OG 2.97Å; S498-S509 PolarHBondContact O-N 3.13Å
499I89.9Confident85.5Confident11 Ų1143.1 Ų43.16%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-123.3135.1-179.3-57.7-170.8000110.6S455 M456 A458 Y473 V497 L501 N506 D507 T508S455-I499 WeakPolarHBondContact CB-O 3.45Å; S455-I499 PolarHBondContact N-O 2.85Å; M456-I499 HydrophobicContact CG-CB 3.74Å; M456-I499 HydrophobicContact CG-CG2 4.05Å; M456-I499 PolarHBondContact N-O 2.9Å; M456-I499 PolarHBondContact O-N 2.87Å; M456-I499 HydrophobicContact SD-CG2 4.4Å; A458-I499 HydrophobicContact CB-CD1 3.6Å; A458-I499 HydrophobicContact CB-CG1 4.44Å; Y473-I499 HydrophobicContact CE1-CD1 4.19Å; V497-I499 HydrophobicContact CG2-CD1 4.28Å; V497-I499 HydrophobicContact CG2-CG1 4.14Å; I499-L501 HydrophobicContact CG2-CD2 4.21Å; I499-N506 HydrophobicContact CG2-CB 4.16Å; I499-D507 WeakPolarHBondContact CA-O 3.14Å; I499-T508 HydrophobicContact CG1-CG2 4.28Å
500K88.1Confident85.7Confident52 Ų5249.2 Ų49.223%0.22627%0.269CS..EExtended strand (participates in β ladder)trans-115.9111.8166.1177.745.8148.6-149.10110.6L424 V453 S455 D507L424-K500 HydrophobicContact CD2-CB 4.38Å; V453-K500 HydrophobicContact CG1-CG 4.42Å; V453-K500 WeakPolarHBondContact O-CD 3.21Å; V453-K500 WeakPolarHBondContact O-CE 3.47Å; V453-K500 PolarHBondContact O-NZ 3.33Å; S455-K500 WeakPolarHBondContact OG-CD 3.41Å; S455-K500 PolarHBondContact OG-NZ 3.25Å; K500-D507 HydrophobicContact CB-CB 4.25Å; K500-D507 PolarHBondContact N-O 2.74Å; K500-D507 PolarHBondContact O-N 2.91Å
501L84.7Confident85.8Confident82 Ų8249.3 Ų49.343%0.42928%0.275SS..EExtended strand (participates in β ladder)trans-67.6131173.8-56.3176.5000110.7S455 M456 I499 N506S455-L501 PolarHBondContact OG-N 3.43Å; M456-L501 HydrophobicContact SD-CD1 4.11Å; M456-L501 HydrophobicContact SD-CD2 3.83Å; M456-L501 HydrophobicContact SD-CG 4.11Å; I499-L501 HydrophobicContact CG2-CD2 4.21Å; L501-N506 VanDerWaalsContact CD2-OD1 3.23Å; L501-N506 WeakPolarHBondContact CD2-OD1 3.45Å
502K77.6Confident85.9Confident66 Ų6648.5 Ų48.529%0.28727%0.274SS..  trans-117.3172.2165.5-64.6166.8155.3164.40109.4C409 C411 G417 Y504 G505 D507C409-K502 PolarHBondContact O-NZ 3.17Å; C411-K502 PolarHBondContact SG-NZ 2.85Å; G417-K502 WeakPolarHBondContact O-CE 3.03Å; G417-K502 PolarHBondContact O-NZ 2.05Å; K502-Y504 PolarHBondContact O-N 2.87Å; K502-G505 VanDerWaalsContact CB-O 3.3Å; K502-G505 WeakPolarHBondContact CB-O 3.49Å; K502-G505 PolarHBondContact N-O 3.01Å; K502-G505 VanDerWaalsContact N-O 3.14Å; K502-D507 WeakPolarHBondContact CE-OD1 3.34Å; K502-D507 WeakPolarHBondContact CE-OD2 3.28Å; K502-D507 IonicContact NZ-OD1 3.47Å; K502-D507 PolarHBondContact NZ-OD1 2.83Å; K502-D507 IonicContact NZ-OD2 2.82Å; K502-D507 PolarHBondContact NZ-OD2 3.29Å
503A67.9Low85.9Confident92 Ų9252.5 Ų52.576%0.7630%0.3SS*.SBendtrans-68.1-24173.200000113.3
504Y65.6Low85.7Confident165 Ų16550.2 Ų50.265%0.64729%0.29SS*.SBendtrans-133.283.4-178.5-59.8-69000109.8W400 K502W400-Y504 HydrophobicContact CH2-CD2 4.15Å; W400-Y504 HydrophobicContact CH2-CE2 4.43Å; W400-Y504 HydrophobicContact CH2-CG 4.26Å; W400-Y504 HydrophobicContact CZ2-CD2 4.12Å; W400-Y504 HydrophobicContact CZ2-CG 4.04Å; K502-Y504 PolarHBondContact O-N 2.87Å
505G71.3Confident85.5Confident50 Ų5054.7 Ų54.752%0.51531%0.313SS..SBendtrans91.5173.8-17700000114.2K502K502-G505 VanDerWaalsContact CB-O 3.3Å; K502-G505 WeakPolarHBondContact CB-O 3.49Å; K502-G505 PolarHBondContact N-O 3.01Å; K502-G505 VanDerWaalsContact N-O 3.14Å
506N84.8Confident85.2Confident91 Ų9154 Ų5449%0.48731%0.307SS..EExtended strand (participates in β ladder)trans-121.7128.7179.7-68-20.6000109.5I499 L501I499-N506 HydrophobicContact CG2-CB 4.16Å; L501-N506 VanDerWaalsContact CD2-OD1 3.23Å; L501-N506 WeakPolarHBondContact CD2-OD1 3.45Å
507D87.4Confident85.1Confident7 Ų756 Ų564%0.03731%0.314CS..EExtended strand (participates in β ladder)trans-76.8135.2168-62.7-25.2000108.5T416 L424 I499 K500 K502T416-D507 VanDerWaalsContact CA-OD2 3.3Å; T416-D507 WeakPolarHBondContact CA-OD2 3.41Å; T416-D507 PolarHBondContact OG1-OD2 3.06Å; L424-D507 HydrophobicContact CD2-CB 3.88Å; I499-D507 WeakPolarHBondContact CA-O 3.14Å; K500-D507 HydrophobicContact CB-CB 4.25Å; K500-D507 PolarHBondContact N-O 2.74Å; K500-D507 PolarHBondContact O-N 2.91Å; K502-D507 WeakPolarHBondContact CE-OD1 3.34Å; K502-D507 WeakPolarHBondContact CE-OD2 3.28Å; K502-D507 IonicContact NZ-OD1 3.47Å; K502-D507 PolarHBondContact NZ-OD1 2.83Å; K502-D507 IonicContact NZ-OD2 2.82Å; K502-D507 PolarHBondContact NZ-OD2 3.29Å
508T90.2Very high85Confident50 Ų5055 Ų5531%0.30731%0.308SS..EExtended strand (participates in β ladder)trans-124.6141.5-17949.60000110.9G414 I499G414-T508 PolarHBondContact N-O 2.92Å; I499-T508 HydrophobicContact CG1-CG2 4.28Å
509S90.4Very high85Confident2 Ų257.3 Ų57.31%0.01432%0.316CS..PPolyproline II helixtrans-70.6167.3171.870.80000111.9V413 L424 V497 S498V413-S509 VanDerWaalsContact CG1-O 3.28Å; V413-S509 WeakPolarHBondContact CG1-O 3.12Å; L424-S509 WeakPolarHBondContact O-CA 3.49Å; L424-S509 WeakPolarHBondContact O-CB 3.44Å; V497-S509 WeakPolarHBondContact CA-OG 3.47Å; S498-S509 PolarHBondContact N-OG 2.97Å; S498-S509 PolarHBondContact O-N 3.13Å
510Q90.1Very high85.1Confident128 Ų12856.9 Ų56.960%0.59831%0.314SS*.PPolyproline II helixtrans-58.9147.6155.6-62.5-177.912.700109.3V413 P426V413-Q510 HydrophobicContact CG1-CG 4.33Å; P426-Q510 WeakPolarHBondContact CB-O 3.46Å
511P90.7Very high85.2Confident68 Ų6857 Ų5744%0.44232%0.315SS..PPolyproline II helixtrans-77.4135.2-179.929.8-33.7000112T496 V497 T513T496-P511 WeakPolarHBondContact O-CA 3.43Å; V497-P511 HydrophobicContact CG1-CB 3.89Å; P511-T513 HydrophobicContact CB-CG2 4.11Å; P511-T513 HydrophobicContact CG-CG2 4.27Å
512A87.9Confident85.5Confident20 Ų2059.8 Ų59.817%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-84.5118.2158.300000108.2P426 L430 S495 T496P426-A512 HydrophobicContact CB-CB 3.96Å; L430-A512 HydrophobicContact CB-CB 4.34Å; L430-A512 HydrophobicContact CD2-CB 3.75Å; S495-A512 WeakPolarHBondContact CA-O 3.32Å; T496-A512 PolarHBondContact N-O 3.01Å; T496-A512 PolarHBondContact O-N 3Å; T496-A512 PolarHBondContact OG1-O 2.98Å
513T88.4Confident86.1Confident95 Ų9556.9 Ų56.958%0.58331%0.308SS*.EExtended strand (participates in β ladder)trans-109.5134.7-17154.80000112.6I494 P511I494-T513 CarbonylContact O-C 3.29Å; I494-T513 VanDerWaalsContact O-CA 3.28Å; I494-T513 WeakPolarHBondContact O-CA 3.01Å; P511-T513 HydrophobicContact CB-CG2 4.11Å; P511-T513 HydrophobicContact CG-CG2 4.27Å
514A86.1Confident87.2Confident18 Ų1855 Ų5515%0.14928%0.283CS..EExtended strand (participates in β ladder)trans-123135.2170.100000110.4I494 I516I494-A514 PolarHBondContact N-O 3.24Å; I494-A514 PolarHBondContact O-N 2.05Å; A514-I516 HydrophobicContact CB-CD1 3.97Å; A514-I516 HydrophobicContact CB-CG1 4.03Å
515L87.1Confident88.3Confident94 Ų9454 Ų5449%0.49228%0.283SS..EExtended strand (participates in β ladder)trans-101.5118.7169.4-75.6166.1000108.1L464 Y492 N493L464-L515 HydrophobicContact CD1-CD2 3.92Å; Y492-L515 WeakPolarHBondContact O-CA 3.11Å; N493-L515 HydrophobicContact CB-CD2 3.94Å
516I86.9Confident89.3Confident13 Ų1352.8 Ų52.87%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-136.3128.7-170.2-53.1178.9000109.3V432 V435 V440 L442 Y492 I494 A514V432-I516 HydrophobicContact CB-CD1 4.29Å; V432-I516 HydrophobicContact CG1-CD1 3.92Å; V432-I516 HydrophobicContact CG2-CD1 3.34Å; V432-I516 HydrophobicContact CG2-CG1 4.04Å; V435-I516 HydrophobicContact CG1-CG2 4.21Å; V435-I516 HydrophobicContact CG2-CG2 3.72Å; V440-I516 HydrophobicContact CG1-CD1 3.72Å; V440-I516 HydrophobicContact CG1-CG2 4.31Å; V440-I516 HydrophobicContact CG2-CG2 4.07Å; L442-I516 HydrophobicContact CD2-CD1 3.9Å; Y492-I516 PolarHBondContact N-O 3.22Å; Y492-I516 PolarHBondContact O-N 3.28Å; I494-I516 HydrophobicContact CD1-CB 4.09Å; I494-I516 HydrophobicContact CD1-CD1 3.67Å; I494-I516 HydrophobicContact CD1-CG1 4.06Å; A514-I516 HydrophobicContact CB-CD1 3.97Å; A514-I516 HydrophobicContact CB-CG1 4.03Å
517R88Confident89.6Confident44 Ų4453.8 Ų53.817%0.16627%0.266CS..EExtended strand (participates in β ladder)trans-96.7116.3174.4-162.2173.5-153.5110.79110V435 G489 M490 L491 S596 E602 F603 S605V435-R517 WeakPolarHBondContact CG1-O 3.39Å; G489-R517 WeakPolarHBondContact O-CG 3.37Å; G489-R517 PolarHBondContact O-NE 2.81Å; G489-R517 VanDerWaalsContact O-NE 3.07Å; M490-R517 WeakPolarHBondContact O-CA 3.16Å; L491-R517 HydrophobicContact CD1-CB 3.93Å; R517-S596 PolarHBondContact NE-OG 3.49Å; R517-S596 PolarHBondContact NH2-OG 2.83Å; R517-S596 VanDerWaalsContact NH2-OG 3.15Å; R517-E602 PolarHBondContact NH1-O 2.59Å; R517-F603 WeakPolarHBondContact CD-O 3.41Å; R517-S605 PolarHBondContact O-OG 3.46Å
518T90.1Very high89.8Confident0 Ų056.1 Ų56.10%028%0.278CS..PPolyproline II helixtrans-59156.3174.5480000110.6V440 L486 V487 G489 M490 Y492 S605V440-T518 HydrophobicContact CG2-CG2 4.16Å; L486-T518 HydrophobicContact CB-CG2 3.89Å; L486-T518 HydrophobicContact CD1-CG2 3.77Å; V487-T518 PolarHBondContact O-OG1 3.06Å; G489-T518 VanDerWaalsContact CA-O 3.27Å; G489-T518 WeakPolarHBondContact CA-O 3.48Å; G489-T518 PolarHBondContact N-O 3.19Å; G489-T518 PolarHBondContact N-OG1 3.32Å; M490-T518 PolarHBondContact N-OG1 2.97Å; M490-T518 PolarHBondContact O-N 3.49Å; M490-T518 PolarHBondContact O-OG1 3.22Å; Y492-T518 HydrophobicContact CD2-CG2 3.92Å; Y492-T518 HydrophobicContact CE2-CG2 3.85Å; T518-S605 PolarHBondContact O-OG 3.4Å
519R91.3Very high89.9Confident55 Ų5556.8 Ų56.821%0.20828%0.282CS..PPolyproline II helixtrans-64.7131.9178.3-169.9173.1-63.2-83.85.7109.4V435 E436 E437 P488 G489 T606 H608V435-R519 PolarHBondContact O-NE 3.49Å; V435-R519 PolarHBondContact O-NH2 2.03Å; V435-R519 VanDerWaalsContact O-NH2 3.16Å; E436-R519 WeakPolarHBondContact O-CB 3.44Å; E436-R519 PolarHBondContact O-N 2.89Å; E436-R519 IonicContact OE2-NE 2.62Å; E437-R519 WeakPolarHBondContact CA-O 3.39Å; E437-R519 HydrophobicContact CG-CB 3.92Å; E437-R519 HydrophobicContact CG-CG 4.04Å; P488-R519 WeakPolarHBondContact CA-O 3.08Å; P488-R519 WeakPolarHBondContact CB-O 2.79Å; G489-R519 PolarHBondContact N-O 3.18Å; R519-T606 VanDerWaalsContact CG-O 3.31Å; R519-T606 WeakPolarHBondContact CG-O 2.94Å; R519-T606 PolarHBondContact NH1-O 2.8Å; R519-H608 WeakPolarHBondContact CD-CD2 2.97Å; R519-H608 WeakPolarHBondContact CD-NE2 3.39Å; R519-H608 PolarHBondContact NE-NE2 2.98Å
520P91.8Very high89.8Confident2 Ų260.8 Ų60.81%0.01330%0.303CS..PPolyproline II helixtrans-71.9153.1169.931-34.6000110.4V550 T594 S605 S607P520-V550 HydrophobicContact CB-CG2 4Å; P520-T594 WeakPolarHBondContact CB-OG1 3.29Å; P520-T594 WeakPolarHBondContact CG-OG1 3.24Å; P520-S605 WeakPolarHBondContact CG-O 2.99Å; P520-S607 WeakPolarHBondContact O-CA 3.49Å; P520-S607 WeakPolarHBondContact O-CB 3.36Å
521Q90.6Very high89.9Confident55 Ų5555.7 Ų55.726%0.25728%0.281SS..PPolyproline II helixtrans-66144.2176-64.3-163.8-33.400111.5P488 H546 T594P488-Q521 HydrophobicContact CB-CG 3.73Å; P488-Q521 HydrophobicContact CG-CG 3.83Å; Q521-H546 PolarHBondContact OE1-O 2.85Å; Q521-T594 VanDerWaalsContact O-CG2 3.24Å; Q521-T594 WeakPolarHBondContact O-CG2 3.49Å; Q521-T594 PolarHBondContact O-OG1 2.93Å
522R91.4Very high90Very high140 Ų14053.8 Ų53.853%0.52827%0.269SS..PPolyproline II helixtrans-68.5153172.769.1-177.7179.2169-0.7111.3H547 H608 A610R522-H547 PolarHBondContact O-NE2 2.6Å; R522-H608 WeakPolarHBondContact CB-O 3.27Å; R522-A610 HydrophobicContact CB-CB 4.37Å
523V90.9Very high90Very high6 Ų654 Ų544%0.03627%0.27CS..PPolyproline II helixtrans-60.7147.1177.3-57.90000112.2L526 W540 V542 V553 V592 T594 A610V523-L526 HydrophobicContact CG2-CB 4.43Å; V523-W540 HydrophobicContact CB-CB 4.02Å; V523-W540 HydrophobicContact CB-CG 4.17Å; V523-W540 HydrophobicContact CG1-CG 4.27Å; V523-W540 HydrophobicContact CG2-CB 3.8Å; V523-W540 HydrophobicContact CG2-CG 4.14Å; V523-V542 HydrophobicContact CG1-CG2 4.2Å; V523-V553 HydrophobicContact CG1-CG1 4.26Å; V523-V592 HydrophobicContact CG1-CG1 4Å; V523-V592 HydrophobicContact CG2-CB 4.04Å; V523-V592 HydrophobicContact CG2-CG1 3.63Å; V523-T594 HydrophobicContact CG1-CG2 3.49Å; V523-T594 VanDerWaalsContact CG1-CG2 3.49Å; V523-A610 HydrophobicContact CG2-CB 3.5Å
524E89.9Confident90.1Very high51 Ų5151.3 Ų51.324%0.23825%0.254CS..EExtended strand (participates in β ladder)trans-88.6154.7176.7-76178.2-14400112.2L526 L541 Q543 H547E524-L526 PolarHBondContact O-N 3.45Å; E524-L541 HydrophobicContact CB-CB 4.03Å; E524-L541 PolarHBondContact N-O 2.93Å; E524-L541 PolarHBondContact O-N 3.13Å; E524-Q543 VanDerWaalsContact CD-NE2 3.28Å; E524-Q543 PolarHBondContact OE1-NE2 2.92Å; E524-Q543 PolarHBondContact OE2-NE2 2.04Å; E524-H547 IonicContact OE1-CE1 3.94Å
525K88.8Confident90.4Very high146 Ų14655 Ų5564%0.63527%0.269SS*.EExtended strand (participates in β ladder)trans4740.3169.4-52.7-175-157163.80114.6Q527 L541K525-Q527 PolarHBondContact O-N 3.07Å; K525-L541 HydrophobicContact CB-CD1 4.37Å; K525-L541 HydrophobicContact CD-CD1 3.66Å; K525-L541 HydrophobicContact CG-CD1 4.24Å
526L92Very high90.7Very high24 Ų2450.5 Ų50.513%0.12625%0.245CC..EExtended strand (participates in β ladder)trans-57.1124171.8-179.265.6000109.6V523 E524 S539 W540 V592 A610 L613V523-L526 HydrophobicContact CG2-CB 4.43Å; E524-L526 PolarHBondContact O-N 3.45Å; L526-S539 WeakPolarHBondContact CA-O 3.41Å; L526-W540 HydrophobicContact CD1-CB 4.04Å; L526-W540 HydrophobicContact CD1-CE3 4.16Å; L526-V592 HydrophobicContact CD1-CB 4.37Å; L526-V592 HydrophobicContact CD1-CG2 3.59Å; L526-V592 HydrophobicContact CD2-CB 4.18Å; L526-V592 HydrophobicContact CD2-CG2 3.83Å; L526-V592 HydrophobicContact CG-CG2 4.38Å; L526-A610 HydrophobicContact CB-CB 4.42Å; L526-A610 HydrophobicContact CD2-CB 4.05Å; L526-L613 HydrophobicContact CB-CD1 4.37Å; L526-L613 HydrophobicContact CD2-CD1 3.93Å; L526-L613 HydrophobicContact CD2-CG 4.28Å; L526-L613 HydrophobicContact CG-CD1 3.74Å
527Q91.8Very high91.1Very high111 Ų11154.7 Ų54.752%0.51926%0.26SS..EExtended strand (participates in β ladder)trans-149.1153.3-175.263.8-1801.400112.3K525 S539K525-Q527 PolarHBondContact O-N 3.07Å; Q527-S539 VanDerWaalsContact CG-OG 3.24Å; Q527-S539 WeakPolarHBondContact CG-OG 3.43Å; Q527-S539 PolarHBondContact N-O 3.3Å; Q527-S539 PolarHBondContact NE2-OG 2.93Å; Q527-S539 PolarHBondContact O-N 2.98Å
528L91.3Very high91.4Very high56 Ų5652.6 Ų52.629%0.29325%0.252SS..EExtended strand (participates in β ladder)trans-90.4119.3170.4-69.185.8000109.1V531 V536 L538 L613 F615L528-V531 HydrophobicContact CD2-CG2 3.75Å; L528-V536 HydrophobicContact CD2-CG2 3.88Å; L528-V536 HydrophobicContact CG-CG2 4.36Å; L528-L538 HydrophobicContact CG-CD2 3.89Å; L528-L613 HydrophobicContact CD1-CB 4.04Å; L528-L613 HydrophobicContact CD1-CD1 3.83Å; L528-F615 HydrophobicContact CD2-CB 3.45Å; L528-F615 VanDerWaalsContact CD2-CB 3.45Å; L528-F615 HydrophobicContact CD2-CD1 3.6Å; L528-F615 HydrophobicContact CD2-CD2 3.96Å; L528-F615 HydrophobicContact CD2-CE1 4.32Å; L528-F615 HydrophobicContact CD2-CG 3.38Å
529V91.8Very high91.6Very high65 Ų6553.5 Ų53.539%0.39426%0.259SS..EExtended strand (participates in β ladder)trans-84.4-43.8-179.3-1730000110.6W537 S539V529-W537 HydrophobicContact CB-CB 4.35Å; V529-W537 HydrophobicContact CB-CD2 3.81Å; V529-W537 HydrophobicContact CB-CE3 3.94Å; V529-W537 HydrophobicContact CB-CG 3.99Å; V529-W537 HydrophobicContact CG1-CD2 3.81Å; V529-W537 HydrophobicContact CG1-CE3 3.53Å; V529-W537 HydrophobicContact CG1-CH2 4.1Å; V529-W537 HydrophobicContact CG1-CZ2 4.33Å; V529-W537 HydrophobicContact CG1-CZ3 3.69Å; V529-W537 HydrophobicContact CG2-CD2 4.36Å; V529-W537 HydrophobicContact CG2-CG 4.41Å; V529-W537 PolarHBondContact N-O 3.11Å; V529-S539 WeakPolarHBondContact CG2-OG 3.39Å
530N89.9Confident91.7Very high86 Ų8651.1 Ų51.146%0.4625%0.249SC..EExtended strand (participates in β ladder)trans-153.5149177.7-165.55.5000111.2W537N530-W537 HydrophobicContact CB-CB 4.44Å; N530-W537 HydrophobicContact CB-CE3 4.23Å; N530-W537 PolarHBondContact O-N 2.84Å
531V91.8Very high91.6Very high21 Ų2154.2 Ų54.213%0.12727%0.265CS..EExtended strand (participates in β ladder)trans-134.7118178.3-178.30000108.5L528 V536 F615 W616 R618L528-V531 HydrophobicContact CD2-CG2 3.75Å; V531-V536 HydrophobicContact CG2-CG2 4.07Å; V531-F615 HydrophobicContact CG1-CD2 3.75Å; V531-F615 HydrophobicContact CG1-CE2 3.96Å; V531-F615 HydrophobicContact CG2-CD2 3.92Å; V531-F615 HydrophobicContact CG2-CE2 4.42Å; V531-W616 WeakPolarHBondContact CG1-O 3.42Å; V531-R618 WeakPolarHBondContact O-CD 3.38Å; V531-R618 PolarHBondContact O-NE 3.19Å
532S91.3Very high91.5Very high27 Ų2752.9 Ų52.919%0.18926%0.261CS..  trans-99.9-164.8175.185.70000111S534 Q535 R618S532-S534 VanDerWaalsContact C-N 3.32Å; S532-S534 PolarHBondContact OG-N 2.96Å; S532-S534 VanDerWaalsContact OG-N 3.12Å; S532-Q535 PolarHBondContact N-O 3.26Å; S532-Q535 WeakPolarHBondContact OG-CB 3.44Å; S532-Q535 PolarHBondContact OG-N 3.47Å; S532-Q535 PolarHBondContact OG-O 3.28Å; S532-R618 PolarHBondContact O-N 3.15Å
533S88.8Confident91Very high26 Ų2649.8 Ų49.818%0.18225%0.253CS..SBendtrans-79.8-10.1171560000114A584 R618S533-A584 WeakPolarHBondContact O-CA 3.48Å; S533-A584 VanDerWaalsContact O-CB 3.24Å; S533-A584 WeakPolarHBondContact O-CB 3.06Å; S533-A584 PolarHBondContact O-N 2.95Å; S533-R618 VanDerWaalsContact CA-O 3.23Å; S533-R618 WeakPolarHBondContact CA-O 3.47Å; S533-R618 WeakPolarHBondContact CB-O 3.35Å
534S89.4Confident90Very high38 Ų3856.4 Ų56.427%0.26629%0.288SS..SBendtrans-149.17.4-176.557.30000114.8S532 S580 S581 L582S532-S534 VanDerWaalsContact C-N 3.32Å; S532-S534 PolarHBondContact OG-N 2.96Å; S532-S534 VanDerWaalsContact OG-N 3.12Å; S534-S580 CarbonylContact O-C 3.58Å; S534-S580 WeakPolarHBondContact O-CA 3.47Å; S534-S581 PolarHBondContact O-N 2.79Å; S534-L582 WeakPolarHBondContact CA-O 3.01Å; S534-L582 WeakPolarHBondContact CB-O 3.46Å; S534-L582 PolarHBondContact O-N 3.04Å
535Q93.1Very high89.1Confident95 Ų9558.4 Ų58.444%0.44431%0.313SS..  trans-144.4151.6-179.1-58.7173.4-48.700111S532 T578 F579S532-Q535 PolarHBondContact N-O 3.26Å; S532-Q535 WeakPolarHBondContact OG-CB 3.44Å; S532-Q535 PolarHBondContact OG-N 3.47Å; S532-Q535 PolarHBondContact OG-O 3.28Å; Q535-T578 HydrophobicContact CB-CG2 4.41Å; Q535-F579 WeakPolarHBondContact CA-O 3.32Å; Q535-F579 WeakPolarHBondContact CB-O 3.02Å
536V94.1Very high88.3Confident0 Ų056.2 Ų56.20%031%0.305CS..EExtended strand (participates in β ladder)trans-132.8134.4166.562.10000109.3L528 V531 L538 L557 T578 F579 L582 F615L528-V536 HydrophobicContact CD2-CG2 3.88Å; L528-V536 HydrophobicContact CG-CG2 4.36Å; V531-V536 HydrophobicContact CG2-CG2 4.07Å; V536-L538 HydrophobicContact CG1-CG 4.5Å; V536-L538 HydrophobicContact CG2-CD2 3.75Å; V536-L538 HydrophobicContact CG2-CG 4.25Å; V536-L557 HydrophobicContact CG1-CD1 4.08Å; V536-T578 CarbonylContact O-C 3.59Å; V536-T578 VanDerWaalsContact O-CA 3.24Å; V536-T578 WeakPolarHBondContact O-CA 3.02Å; V536-F579 HydrophobicContact CG1-CB 4.05Å; V536-F579 HydrophobicContact CG1-CD2 4.16Å; V536-F579 PolarHBondContact N-O 3.18Å; V536-F579 VanDerWaalsContact N-O 3.16Å; V536-F579 PolarHBondContact O-N 2.98Å; V536-L582 HydrophobicContact CB-CD1 4.39Å; V536-L582 HydrophobicContact CG1-CD1 3.93Å; V536-F615 HydrophobicContact CB-CE2 3.84Å; V536-F615 HydrophobicContact CB-CZ 3.69Å; V536-F615 HydrophobicContact CG1-CE1 4.34Å; V536-F615 HydrophobicContact CG1-CE2 4.3Å; V536-F615 HydrophobicContact CG1-CZ 3.65Å; V536-F615 HydrophobicContact CG2-CE1 4.29Å; V536-F615 HydrophobicContact CG2-CE2 3.99Å; V536-F615 HydrophobicContact CG2-CZ 3.86Å
537W94.6Very high87.7Confident101 Ų10155.5 Ų55.538%0.38330%0.301SS..EExtended strand (participates in β ladder)trans-105.9121.5173.3-179.517.1000108.9V529 N530 E576V529-W537 HydrophobicContact CB-CB 4.35Å; V529-W537 HydrophobicContact CB-CD2 3.81Å; V529-W537 HydrophobicContact CB-CE3 3.94Å; V529-W537 HydrophobicContact CB-CG 3.99Å; V529-W537 HydrophobicContact CG1-CD2 3.81Å; V529-W537 HydrophobicContact CG1-CE3 3.53Å; V529-W537 HydrophobicContact CG1-CH2 4.1Å; V529-W537 HydrophobicContact CG1-CZ2 4.33Å; V529-W537 HydrophobicContact CG1-CZ3 3.69Å; V529-W537 HydrophobicContact CG2-CD2 4.36Å; V529-W537 HydrophobicContact CG2-CG 4.41Å; V529-W537 PolarHBondContact N-O 3.11Å; N530-W537 HydrophobicContact CB-CB 4.44Å; N530-W537 HydrophobicContact CB-CE3 4.23Å; N530-W537 PolarHBondContact O-N 2.84Å; W537-E576 VanDerWaalsContact CZ2-OE2 3.3Å; W537-E576 WeakPolarHBondContact CZ2-OE2 3.38Å; W537-E576 PolarHBondContact NE1-OE2 2.71Å
538L94.4Very high86.9Confident0 Ų054.6 Ų54.60%031%0.313CS..EExtended strand (participates in β ladder)trans-111.6143.6-177.2-57.3173.3000109.4L528 V536 W540 V555 E576 H577 F579 V590L528-L538 HydrophobicContact CG-CD2 3.89Å; V536-L538 HydrophobicContact CG1-CG 4.5Å; V536-L538 HydrophobicContact CG2-CD2 3.75Å; V536-L538 HydrophobicContact CG2-CG 4.25Å; L538-W540 HydrophobicContact CB-CE3 4.41Å; L538-W540 HydrophobicContact CB-CZ3 4.06Å; L538-V555 HydrophobicContact CD1-CG1 3.84Å; L538-E576 VanDerWaalsContact O-CA 3.25Å; L538-E576 WeakPolarHBondContact O-CA 3.21Å; L538-E576 WeakPolarHBondContact O-CB 3.37Å; L538-H577 PolarHBondContact N-O 3.49Å; L538-H577 PolarHBondContact O-N 3.49Å; L538-F579 HydrophobicContact CD1-CD2 4.01Å; L538-F579 HydrophobicContact CD1-CE2 3.83Å; L538-V590 HydrophobicContact CD1-CG1 3.69Å; L538-V590 HydrophobicContact CD1-CG2 4.21Å; L538-V590 HydrophobicContact CD2-CG1 4.22Å; L538-V590 HydrophobicContact CD2-CG2 3.82Å
539S94.1Very high86.4Confident19 Ų1952.9 Ų52.913%0.13331%0.306CS..EExtended strand (participates in β ladder)trans-136.7153.8166.858.20000111.4L526 Q527 V529 T575L526-S539 WeakPolarHBondContact CA-O 3.41Å; Q527-S539 VanDerWaalsContact CG-OG 3.24Å; Q527-S539 WeakPolarHBondContact CG-OG 3.43Å; Q527-S539 PolarHBondContact N-O 3.3Å; Q527-S539 PolarHBondContact NE2-OG 2.93Å; Q527-S539 PolarHBondContact O-N 2.98Å; V529-S539 WeakPolarHBondContact CG2-OG 3.39Å; S539-T575 CarbonylContact C-O 3.6Å; S539-T575 VanDerWaalsContact CA-O 3.3Å; S539-T575 WeakPolarHBondContact CA-O 3.46Å
540W93.8Very high86.2Confident4 Ų450.2 Ų50.22%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-152.2170.3178.358.386.1000109.2V523 L526 L538 V553 V555 L570 V574 T575 H577V523-W540 HydrophobicContact CB-CB 4.02Å; V523-W540 HydrophobicContact CB-CG 4.17Å; V523-W540 HydrophobicContact CG1-CG 4.27Å; V523-W540 HydrophobicContact CG2-CB 3.8Å; V523-W540 HydrophobicContact CG2-CG 4.14Å; L526-W540 HydrophobicContact CD1-CB 4.04Å; L526-W540 HydrophobicContact CD1-CE3 4.16Å; L538-W540 HydrophobicContact CB-CE3 4.41Å; L538-W540 HydrophobicContact CB-CZ3 4.06Å; W540-V553 HydrophobicContact CZ2-CG1 4.34Å; W540-V555 HydrophobicContact CH2-CG2 3.59Å; W540-V555 HydrophobicContact CZ2-CG2 4.06Å; W540-V555 HydrophobicContact CZ3-CG2 3.91Å; W540-L570 HydrophobicContact CH2-CD1 3.7Å; W540-L570 HydrophobicContact CZ2-CD1 3.84Å; W540-V574 HydrophobicContact CZ2-CG1 4.47Å; W540-V574 VanDerWaalsContact CZ2-O 3.29Å; W540-V574 WeakPolarHBondContact CZ2-O 3.47Å; W540-V574 PolarHBondContact NE1-O 2.04Å; W540-T575 PolarHBondContact N-O 2.9Å; W540-T575 VanDerWaalsContact O-CB 3.3Å; W540-T575 WeakPolarHBondContact O-CB 2.99Å; W540-T575 VanDerWaalsContact O-O 3.09Å; W540-H577 HydrophobicContact CH2-CB 3.72Å; W540-H577 HydrophobicContact CZ3-CB 4.11Å
541L90.4Very high86Confident67 Ų6747.4 Ų47.435%0.35128%0.278SS..EExtended strand (participates in β ladder)trans-116.2140.3175.6-64.2179.9000111.3E524 K525E524-L541 HydrophobicContact CB-CB 4.03Å; E524-L541 PolarHBondContact N-O 2.93Å; E524-L541 PolarHBondContact O-N 3.13Å; K525-L541 HydrophobicContact CB-CD1 4.37Å; K525-L541 HydrophobicContact CD-CD1 3.66Å; K525-L541 HydrophobicContact CG-CD1 4.24Å
542V87.3Confident85.9Confident28 Ų2850.3 Ų50.317%0.1729%0.286CS..  trans-123.3116.7168.6-177.30000105V523 H547 V553V523-V542 HydrophobicContact CG1-CG2 4.2Å; V542-H547 HydrophobicContact CG1-CB 3.49Å; V542-H547 VanDerWaalsContact CG1-CB 3.49Å; V542-V553 HydrophobicContact CG2-CG2 4.35Å
543Q80.7Confident85.9Confident74 Ų7449 Ų4935%0.34628%0.277SS..  trans-104.2124.1-179.3-60.6-167.923.800110.4E524 A545 H546 H547E524-Q543 VanDerWaalsContact CD-NE2 3.28Å; E524-Q543 PolarHBondContact OE1-NE2 2.92Å; E524-Q543 PolarHBondContact OE2-NE2 2.04Å; Q543-A545 VanDerWaalsContact C-N 3.27Å; Q543-A545 PolarHBondContact O-N 2.89Å; Q543-A545 VanDerWaalsContact O-N 3.14Å; Q543-H546 HydrophobicContact CB-CB 4.46Å; Q543-H546 PolarHBondContact O-N 3.45Å; Q543-H546 PolarHBondContact OE1-ND1 2.89Å; Q543-H547 PolarHBondContact N-ND1 2.81Å; Q543-H547 VanDerWaalsContact O-CB 3.32Å; Q543-H547 WeakPolarHBondContact O-CB 3.27Å; Q543-H547 PolarHBondContact O-N 3.28Å; Q543-H547 PolarHBondContact O-ND1 2.68Å; Q543-H547 VanDerWaalsContact O-ND1 3.15Å
544D71.3Confident86.1Confident145 Ų14550.1 Ų50.178%0.77528%0.279SS*.Hα-helixtrans-52.2-40.9-176.1-62.2-46.5000113.7H546 A548D544-H546 VanDerWaalsContact C-N 3.25Å; D544-H546 PolarHBondContact O-N 2.99Å; D544-A548 WeakPolarHBondContact O-CA 3.49Å; D544-A548 WeakPolarHBondContact O-CB 3.49Å; D544-A548 PolarHBondContact O-N 2.99Å; D544-A548 VanDerWaalsContact O-N 3.08Å
545A70.9Confident86.2Confident93 Ų9348.3 Ų48.377%0.76927%0.267SS*.Hα-helixtrans-63.1-27.7-18000000114.3Q543Q543-A545 VanDerWaalsContact C-N 3.27Å; Q543-A545 PolarHBondContact O-N 2.89Å; Q543-A545 VanDerWaalsContact O-N 3.14Å
546H71.1Confident86.2Confident101 Ų10144.2 Ų44.247%0.46825%0.249SC..Hα-helixtrans-108.8-25-175.5-68.2116000112.6Q521 Q543 D544Q521-H546 PolarHBondContact OE1-O 2.85Å; Q543-H546 HydrophobicContact CB-CB 4.46Å; Q543-H546 PolarHBondContact O-N 3.45Å; Q543-H546 PolarHBondContact OE1-ND1 2.89Å; D544-H546 VanDerWaalsContact C-N 3.25Å; D544-H546 PolarHBondContact O-N 2.99Å
547H80.1Confident86.2Confident8 Ų844.2 Ų44.24%0.03725%0.249CC..Hα-helixtrans-11616.2-171.9-59.270.3000112.6R522 E524 V542 Q543 A549 V550R522-H547 PolarHBondContact O-NE2 2.6Å; E524-H547 IonicContact OE1-CE1 3.94Å; V542-H547 HydrophobicContact CG1-CB 3.49Å; V542-H547 VanDerWaalsContact CG1-CB 3.49Å; Q543-H547 PolarHBondContact N-ND1 2.81Å; Q543-H547 VanDerWaalsContact O-CB 3.32Å; Q543-H547 WeakPolarHBondContact O-CB 3.27Å; Q543-H547 PolarHBondContact O-N 3.28Å; Q543-H547 PolarHBondContact O-ND1 2.68Å; Q543-H547 VanDerWaalsContact O-ND1 3.15Å; H547-A549 PolarHBondContact O-N 3.14Å; H547-V550 HydrophobicContact CB-CB 4.22Å; H547-V550 HydrophobicContact CB-CG2 3.9Å; H547-V550 VanDerWaalsContact O-CB 3.3Å; H547-V550 WeakPolarHBondContact O-CB 3.42Å; H547-V550 PolarHBondContact O-N 2.85Å
548A75.6Confident86Confident93 Ų9342.7 Ų42.777%0.76925%0.247SC*.THydrogen-bonded Turntrans-50.8-28.5-179.300000114.8D544D544-A548 WeakPolarHBondContact O-CA 3.49Å; D544-A548 WeakPolarHBondContact O-CB 3.49Å; D544-A548 PolarHBondContact O-N 2.99Å; D544-A548 VanDerWaalsContact O-N 3.08Å
549A80.6Confident85.9Confident19 Ų1943.4 Ų43.416%0.15725%0.251CS..THydrogen-bonded Turntrans-86.6-8.4176.900000114.3M490 H547 S596M490-A549 HydrophobicContact SD-CB 4.38Å; H547-A549 PolarHBondContact O-N 3.14Å; A549-S596 WeakPolarHBondContact O-CB 3.48Å; A549-S596 PolarHBondContact O-OG 2.77Å
550V86.6Confident85.6Confident9 Ų945.7 Ų45.76%0.05527%0.267CS..  trans-78.3123.4-178.8176.60000110.6P520 H547 R552 V553 S572 T594P520-V550 HydrophobicContact CB-CG2 4Å; H547-V550 HydrophobicContact CB-CB 4.22Å; H547-V550 HydrophobicContact CB-CG2 3.9Å; H547-V550 VanDerWaalsContact O-CB 3.3Å; H547-V550 WeakPolarHBondContact O-CB 3.42Å; H547-V550 PolarHBondContact O-N 2.85Å; V550-R552 WeakPolarHBondContact CG1-O 3.47Å; V550-V553 HydrophobicContact CG1-CG2 4.5Å; V550-S572 WeakPolarHBondContact O-CB 3.37Å; V550-S572 PolarHBondContact O-OG 3.48Å; V550-T594 HydrophobicContact CG1-CG2 4.12Å; V550-T594 HydrophobicContact CG2-CG2 4.21Å
551S86.7Confident85Confident28 Ų2849.1 Ų49.120%0.19629%0.286CS..  trans-106-30.4-178-36.20000113Q595 G597 I598S551-Q595 PolarHBondContact N-O 3.08Å; S551-G597 PolarHBondContact OG-N 2.81Å; S551-I598 VanDerWaalsContact CB-CG1 3.43Å
552R89.4Confident84.3Confident82 Ų8249.3 Ų49.331%0.30930%0.304SS..EExtended strand (participates in β ladder)trans-143.4158.6179.4-66.3-178.8-178.5137.36.4111.2V550 V569 L570 Q595 I598V550-R552 WeakPolarHBondContact CG1-O 3.47Å; R552-V569 HydrophobicContact CB-CG1 4.2Å; R552-V569 HydrophobicContact CG-CG1 4.4Å; R552-L570 CarbonylContact C-O 3.57Å; R552-L570 VanDerWaalsContact CA-O 3.24Å; R552-L570 WeakPolarHBondContact CA-O 3.42Å; R552-L570 WeakPolarHBondContact CB-O 3Å; R552-Q595 HydrophobicContact CB-CB 4.34Å; R552-Q595 PolarHBondContact N-O 2.03Å; R552-Q595 PolarHBondContact O-N 3.47Å; R552-I598 PolarHBondContact NH1-O 2.8Å; R552-I598 VanDerWaalsContact NH1-O 3.09Å; R552-I598 PolarHBondContact NH2-O 3.03Å; R552-I598 VanDerWaalsContact NH2-O 3.12Å
553V91.5Very high84.2Confident0 Ų051.5 Ų51.50%032%0.317CS..EExtended strand (participates in β ladder)trans-122.9125171-177.50000108.2V523 W540 V542 V550 V555 L570 V592V523-V553 HydrophobicContact CG1-CG1 4.26Å; W540-V553 HydrophobicContact CZ2-CG1 4.34Å; V542-V553 HydrophobicContact CG2-CG2 4.35Å; V550-V553 HydrophobicContact CG1-CG2 4.5Å; V553-V555 HydrophobicContact CG1-CG2 4.17Å; V553-L570 PolarHBondContact N-O 3.08Å; V553-L570 PolarHBondContact O-N 3.32Å; V553-V592 HydrophobicContact CG1-CG1 3.5Å; V553-V592 VanDerWaalsContact CG1-CG1 3.5Å
554H91.7Very high84.4Confident49 Ų4956.3 Ų56.323%0.22734%0.34CS..EExtended strand (participates in β ladder)trans-94.6127.3170.3-64.4-100.9000108.3V568 V592 L593 Q595H554-V568 WeakPolarHBondContact CA-O 3.36Å; H554-V592 WeakPolarHBondContact O-CA 3Å; H554-L593 HydrophobicContact CB-CB 4.42Å; H554-L593 PolarHBondContact N-O 2.98Å; H554-L593 PolarHBondContact O-N 2.87Å; H554-Q595 PolarHBondContact NE2-OE1 3.48Å
555V93.3Very high85.1Confident0 Ų052.7 Ų52.70%032%0.324CS..EExtended strand (participates in β ladder)trans-116.6124173-176.90000107.3L538 W540 V553 T567 V568 L570 F579 V592L538-V555 HydrophobicContact CD1-CG1 3.84Å; W540-V555 HydrophobicContact CH2-CG2 3.59Å; W540-V555 HydrophobicContact CZ2-CG2 4.06Å; W540-V555 HydrophobicContact CZ3-CG2 3.91Å; V553-V555 HydrophobicContact CG1-CG2 4.17Å; V555-T567 WeakPolarHBondContact O-CA 3.05Å; V555-V568 HydrophobicContact CB-CG1 3.86Å; V555-V568 PolarHBondContact N-O 2.87Å; V555-V568 PolarHBondContact O-N 2.83Å; V555-L570 HydrophobicContact CG2-CD1 3.96Å; V555-F579 HydrophobicContact CB-CZ 4.41Å; V555-F579 HydrophobicContact CG1-CE2 3.6Å; V555-F579 HydrophobicContact CG1-CZ 3.87Å; V555-V592 HydrophobicContact CB-CG2 4.45Å; V555-V592 HydrophobicContact CG1-CG2 4.06Å; V555-V592 HydrophobicContact CG2-CG1 4.24Å; V555-V592 HydrophobicContact CG2-CG2 4.17Å
556S92.6Very high86Confident9 Ų952.2 Ų52.26%0.06331%0.308CS..EExtended strand (participates in β ladder)trans-124.3130.6-175.440.60000110.6D591S556-D591 PolarHBondContact N-O 3.19Å; S556-D591 PolarHBondContact O-N 3.46Å; S556-D591 WeakPolarHBondContact OG-CB 3.2Å; S556-D591 PolarHBondContact OG-O 2.03Å
557L92.7Very high87Confident0 Ų052.1 Ų52.10%032%0.315CS..EExtended strand (participates in β ladder)trans-113.3102.6178.1-162.787.3000108.8V536 P559 P565 L566 F579 L582 Y588 V590 F615V536-L557 HydrophobicContact CG1-CD1 4.08Å; L557-P559 WeakPolarHBondContact O-CD 3.36Å; L557-P565 WeakPolarHBondContact O-CA 3.45Å; L557-L566 HydrophobicContact CB-CB 4.21Å; L557-L566 HydrophobicContact CD2-CD1 4.24Å; L557-L566 PolarHBondContact N-O 3.26Å; L557-L566 PolarHBondContact O-N 3.03Å; L557-F579 HydrophobicContact CB-CD1 4.49Å; L557-F579 HydrophobicContact CB-CD2 4.31Å; L557-F579 HydrophobicContact CB-CE1 4.26Å; L557-F579 HydrophobicContact CB-CE2 4.05Å; L557-F579 HydrophobicContact CB-CZ 4.02Å; L557-F579 HydrophobicContact CD1-CD2 4.09Å; L557-F579 HydrophobicContact CD1-CE2 4.28Å; L557-F579 HydrophobicContact CD2-CB 4.33Å; L557-F579 HydrophobicContact CD2-CD2 4.45Å; L557-F579 HydrophobicContact CD2-CG 4.24Å; L557-L582 HydrophobicContact CD2-CD1 3.86Å; L557-L582 HydrophobicContact CD2-CD2 3.43Å; L557-L582 VanDerWaalsContact CD2-CD2 3.43Å; L557-L582 HydrophobicContact CD2-CG 4.31Å; L557-Y588 HydrophobicContact CD2-CD1 3.63Å; L557-Y588 HydrophobicContact CD2-CE1 4.05Å; L557-Y588 HydrophobicContact CD2-CG 4.18Å; L557-Y588 HydrophobicContact CG-CD1 3.93Å; L557-Y588 HydrophobicContact CG-CG 4.39Å; L557-V590 HydrophobicContact CD1-CG2 3.9Å; L557-F615 HydrophobicContact CD1-CE1 3.77Å; L557-F615 HydrophobicContact CD1-CZ 3.99Å
558M91.4Very high87.6Confident69 Ų6953.4 Ų53.434%0.3432%0.323SS..EExtended strand (participates in β ladder)trans-89.1115.4179.6-6575.8169.700110.4P565 Y588 T589 D591M558-P565 HydrophobicContact CG-CB 4.21Å; M558-Y588 CarbonylContact O-C 3.59Å; M558-Y588 WeakPolarHBondContact O-CA 3.28Å; M558-T589 PolarHBondContact N-O 2.98Å; M558-T589 PolarHBondContact O-N 2.83Å; M558-D591 HydrophobicContact CE-CB 3.94Å; M558-D591 HydrophobicContact SD-CB 4.16Å
559P91.6Very high88.4Confident15 Ų1552.7 Ų52.710%0.09731%0.309CS..EExtended strand (participates in β ladder)trans-70.1144.3172.8-18.535000111.7L557 D561 T563 Y588L557-P559 WeakPolarHBondContact O-CD 3.36Å; P559-D561 VanDerWaalsContact CB-OD1 3.27Å; P559-D561 WeakPolarHBondContact CB-OD1 3.01Å; P559-D561 PolarHBondContact O-N 3.08Å; P559-T563 VanDerWaalsContact CB-OG1 3.25Å; P559-T563 WeakPolarHBondContact CB-OG1 3.48Å; P559-T563 WeakPolarHBondContact CD-O 3.43Å; P559-T563 VanDerWaalsContact CG-OG1 3.29Å; P559-T563 WeakPolarHBondContact CG-OG1 3.19Å; P559-Y588 HydrophobicContact CB-CD1 4.09Å; P559-Y588 HydrophobicContact CB-CE1 3.87Å; P559-Y588 HydrophobicContact CG-CD1 4.16Å; P559-Y588 HydrophobicContact CG-CE1 3.89Å
560S87.5Confident88.9Confident66 Ų6653 Ų5346%0.46231%0.308SS..THydrogen-bonded Turntrans-75.1-9.2179.872.40000115M587S560-M587 WeakPolarHBondContact CB-O 3.36Å; S560-M587 PolarHBondContact N-O 3.12Å; S560-M587 PolarHBondContact OG-O 3.38Å
561D82.6Confident89Confident77 Ų7757.5 Ų57.541%0.41233%0.332SS..THydrogen-bonded Turntrans-88.3-3.2179.760.910.7000113.2P559 T563 Q583P559-D561 VanDerWaalsContact CB-OD1 3.27Å; P559-D561 WeakPolarHBondContact CB-OD1 3.01Å; P559-D561 PolarHBondContact O-N 3.08Å; D561-T563 WeakPolarHBondContact OD1-CB 3.39Å; D561-T563 WeakPolarHBondContact OD1-CG2 3.37Å; D561-T563 PolarHBondContact OD1-N 3.28Å; D561-T563 PolarHBondContact OD1-OG1 2.04Å; D561-Q583 PolarHBondContact OD2-NE2 2.82Å
562G75.3Confident88.9Confident71 Ų7158.2 Ų58.273%0.73234%0.337SS*.SBendtrans82.210-177.900000114.6
563T84.6Confident88.8Confident73 Ų7359 Ų5945%0.44836%0.355SS..PPolyproline II helixtrans-67.2159.3167.654.20000111.6P559 D561P559-T563 VanDerWaalsContact CB-OG1 3.25Å; P559-T563 WeakPolarHBondContact CB-OG1 3.48Å; P559-T563 WeakPolarHBondContact CD-O 3.43Å; P559-T563 VanDerWaalsContact CG-OG1 3.29Å; P559-T563 WeakPolarHBondContact CG-OG1 3.19Å; D561-T563 WeakPolarHBondContact OD1-CB 3.39Å; D561-T563 WeakPolarHBondContact OD1-CG2 3.37Å; D561-T563 PolarHBondContact OD1-N 3.28Å; D561-T563 PolarHBondContact OD1-OG1 2.04Å
564E84.6Confident88.7Confident175 Ų17561.1 Ų61.182%0.81837%0.368SS*.PPolyproline II helixtrans-59.5140.7-171.6-67-169.2146.700112.8L566E564-L566 PolarHBondContact O-N 3.18Å
565P86.8Confident88.6Confident70 Ų7061.7 Ų61.746%0.45538%0.375SS..PPolyproline II helixtrans-68.9126.4-178.828.6-34.4000110.9L557 M558 T567L557-P565 WeakPolarHBondContact O-CA 3.45Å; M558-P565 HydrophobicContact CG-CB 4.21Å; P565-T567 HydrophobicContact CB-CG2 4.16Å; P565-T567 HydrophobicContact CG-CG2 4.35Å; P565-T567 PolarHBondContact O-N 2.87Å; P565-T567 VanDerWaalsContact O-N 3.11Å
566L90.4Very high88.6Confident82 Ų8266.5 Ų66.543%0.42940%0.397SS..EExtended strand (participates in β ladder)trans-73.1106.2172.1-65.1166.7000107.7L557 E564 F579 L582L557-L566 HydrophobicContact CB-CB 4.21Å; L557-L566 HydrophobicContact CD2-CD1 4.24Å; L557-L566 PolarHBondContact N-O 3.26Å; L557-L566 PolarHBondContact O-N 3.03Å; E564-L566 PolarHBondContact O-N 3.18Å; L566-F579 HydrophobicContact CB-CD1 4.17Å; L566-F579 HydrophobicContact CB-CE1 3.99Å; L566-F579 WeakPolarHBondContact O-CE1 3.28Å; L566-L582 HydrophobicContact CD1-CD2 3.75Å
567T91.1Very high88.7Confident99 Ų9968.5 Ų68.561%0.60741%0.405SS*.EExtended strand (participates in β ladder)trans-111140.7-17964.60000111.2V555 P565V555-T567 WeakPolarHBondContact O-CA 3.05Å; P565-T567 HydrophobicContact CB-CG2 4.16Å; P565-T567 HydrophobicContact CG-CG2 4.35Å; P565-T567 PolarHBondContact O-N 2.87Å; P565-T567 VanDerWaalsContact O-N 3.11Å
568V93Very high88.7Confident35 Ų3571.5 Ų71.521%0.21242%0.424CS..EExtended strand (participates in β ladder)trans-134.2138.1174.664.70000109.8H554 V555 L570 F579H554-V568 WeakPolarHBondContact CA-O 3.36Å; V555-V568 HydrophobicContact CB-CG1 3.86Å; V555-V568 PolarHBondContact N-O 2.87Å; V555-V568 PolarHBondContact O-N 2.83Å; V568-L570 HydrophobicContact CG1-CD1 4.3Å; V568-L570 HydrophobicContact CG1-CG 4.29Å; V568-L570 HydrophobicContact CG2-CD2 3.8Å; V568-L570 HydrophobicContact CG2-CG 4.2Å; V568-F579 HydrophobicContact CG1-CE1 4.25Å; V568-F579 HydrophobicContact CG1-CZ 3.96Å
569V91.8Very high88.9Confident78 Ų7868.9 Ų68.947%0.47341%0.411SS..EExtended strand (participates in β ladder)trans-107.4118.6178.2-165.30000108.7R552R552-V569 HydrophobicContact CB-CG1 4.2Å; R552-V569 HydrophobicContact CG-CG1 4.4Å
570L91.7Very high88.9Confident26 Ų2671.4 Ų71.414%0.13643%0.429CS..EExtended strand (participates in β ladder)trans-115.8158.1-173.7-58.4172.1000110.5W540 R552 V553 V555 V568 V574 H577W540-L570 HydrophobicContact CH2-CD1 3.7Å; W540-L570 HydrophobicContact CZ2-CD1 3.84Å; R552-L570 CarbonylContact C-O 3.57Å; R552-L570 VanDerWaalsContact CA-O 3.24Å; R552-L570 WeakPolarHBondContact CA-O 3.42Å; R552-L570 WeakPolarHBondContact CB-O 3Å; V553-L570 PolarHBondContact N-O 3.08Å; V553-L570 PolarHBondContact O-N 3.32Å; V555-L570 HydrophobicContact CG2-CD1 3.96Å; V568-L570 HydrophobicContact CG1-CD1 4.3Å; V568-L570 HydrophobicContact CG1-CG 4.29Å; V568-L570 HydrophobicContact CG2-CD2 3.8Å; V568-L570 HydrophobicContact CG2-CG 4.2Å; L570-V574 HydrophobicContact CB-CB 4.16Å; L570-V574 HydrophobicContact CB-CG1 4.43Å; L570-V574 HydrophobicContact CB-CG2 4.47Å; L570-V574 HydrophobicContact CD1-CG1 4.01Å; L570-H577 HydrophobicContact CD1-CB 3.99Å
571N89.3Confident89.1Confident103 Ų10373.7 Ų73.755%0.55145%0.445SS*.EExtended strand (participates in β ladder)trans-72.8153.9170.8-65.4-23.4000110.2S573 V574N571-S573 PolarHBondContact O-N 3.16Å; N571-S573 VanDerWaalsContact O-N 3.1Å; N571-V574 HydrophobicContact CB-CG2 4.45Å; N571-V574 WeakPolarHBondContact O-CB 3Å; N571-V574 PolarHBondContact O-N 2.03Å
572S84.5Confident89.4Confident44 Ų4470.4 Ų70.431%0.30843%0.427SS..THydrogen-bonded Turntrans-59.1-21.2177.750.20000114.6V550 V574V550-S572 WeakPolarHBondContact O-CB 3.37Å; V550-S572 PolarHBondContact O-OG 3.48Å; S572-V574 PolarHBondContact O-N 3.12Å
573S86.6Confident90.1Very high99 Ų9970.6 Ų70.669%0.69241%0.409SS*.THydrogen-bonded Turntrans-75-2.517467.40000114.8N571N571-S573 PolarHBondContact O-N 3.16Å; N571-S573 VanDerWaalsContact O-N 3.1Å
574V89.7Confident90.3Very high44 Ų4467.2 Ų67.227%0.26739%0.388SS..  trans-101.9119-178.7-176.10000109.4W540 L570 N571 S572 E576W540-V574 HydrophobicContact CZ2-CG1 4.47Å; W540-V574 VanDerWaalsContact CZ2-O 3.29Å; W540-V574 WeakPolarHBondContact CZ2-O 3.47Å; W540-V574 PolarHBondContact NE1-O 2.04Å; L570-V574 HydrophobicContact CB-CB 4.16Å; L570-V574 HydrophobicContact CB-CG1 4.43Å; L570-V574 HydrophobicContact CB-CG2 4.47Å; L570-V574 HydrophobicContact CD1-CG1 4.01Å; N571-V574 HydrophobicContact CB-CG2 4.45Å; N571-V574 WeakPolarHBondContact O-CB 3Å; N571-V574 PolarHBondContact O-N 2.03Å; S572-V574 PolarHBondContact O-N 3.12Å; V574-E576 WeakPolarHBondContact CG1-O 3.29Å
575T89.9Confident90.3Very high61 Ų6160 Ų6037%0.37436%0.358SS..  trans-107.4-3.5-176.8460000113.8S539 W540S539-T575 CarbonylContact C-O 3.6Å; S539-T575 VanDerWaalsContact CA-O 3.3Å; S539-T575 WeakPolarHBondContact CA-O 3.46Å; W540-T575 PolarHBondContact N-O 2.9Å; W540-T575 VanDerWaalsContact O-CB 3.3Å; W540-T575 WeakPolarHBondContact O-CB 2.99Å; W540-T575 VanDerWaalsContact O-O 3.09Å
576E93Very high90.4Very high100 Ų10059.4 Ų59.447%0.46735%0.349SS..EExtended strand (participates in β ladder)trans-146152.8179.361.4174.1176.400112.7W537 L538 V574W537-E576 VanDerWaalsContact CZ2-OE2 3.3Å; W537-E576 WeakPolarHBondContact CZ2-OE2 3.38Å; W537-E576 PolarHBondContact NE1-OE2 2.71Å; L538-E576 VanDerWaalsContact O-CA 3.25Å; L538-E576 WeakPolarHBondContact O-CA 3.21Å; L538-E576 WeakPolarHBondContact O-CB 3.37Å; V574-E576 WeakPolarHBondContact CG1-O 3.29Å
577H94Very high90.3Very high51 Ų5157.6 Ų57.624%0.23634%0.339CS..EExtended strand (participates in β ladder)trans-152.5152.4173.4-172.874.2000111.6L538 W540 L570 F579L538-H577 PolarHBondContact N-O 3.49Å; L538-H577 PolarHBondContact O-N 3.49Å; W540-H577 HydrophobicContact CH2-CB 3.72Å; W540-H577 HydrophobicContact CZ3-CB 4.11Å; L570-H577 HydrophobicContact CD1-CB 3.99Å; H577-F579 AromaticContact CD2-CD2 3.95Å; H577-F579 AromaticContact CD2-CE2 3.91Å
578T94.5Very high90.4Very high63 Ų6353.3 Ų53.339%0.38731%0.312SS..EExtended strand (participates in β ladder)trans-125.8110177.2-620000110.7Q535 V536Q535-T578 HydrophobicContact CB-CG2 4.41Å; V536-T578 CarbonylContact O-C 3.59Å; V536-T578 VanDerWaalsContact O-CA 3.24Å; V536-T578 WeakPolarHBondContact O-CA 3.02Å
579F94.3Very high90.3Very high15 Ų1552.8 Ų52.87%0.06631%0.309CS..EExtended strand (participates in β ladder)trans-75146.9168-68.7-84.9000109.9Q535 V536 L538 V555 L557 L566 V568 H577 L582Q535-F579 WeakPolarHBondContact CA-O 3.32Å; Q535-F579 WeakPolarHBondContact CB-O 3.02Å; V536-F579 HydrophobicContact CG1-CB 4.05Å; V536-F579 HydrophobicContact CG1-CD2 4.16Å; V536-F579 PolarHBondContact N-O 3.18Å; V536-F579 VanDerWaalsContact N-O 3.16Å; V536-F579 PolarHBondContact O-N 2.98Å; L538-F579 HydrophobicContact CD1-CD2 4.01Å; L538-F579 HydrophobicContact CD1-CE2 3.83Å; V555-F579 HydrophobicContact CB-CZ 4.41Å; V555-F579 HydrophobicContact CG1-CE2 3.6Å; V555-F579 HydrophobicContact CG1-CZ 3.87Å; L557-F579 HydrophobicContact CB-CD1 4.49Å; L557-F579 HydrophobicContact CB-CD2 4.31Å; L557-F579 HydrophobicContact CB-CE1 4.26Å; L557-F579 HydrophobicContact CB-CE2 4.05Å; L557-F579 HydrophobicContact CB-CZ 4.02Å; L557-F579 HydrophobicContact CD1-CD2 4.09Å; L557-F579 HydrophobicContact CD1-CE2 4.28Å; L557-F579 HydrophobicContact CD2-CB 4.33Å; L557-F579 HydrophobicContact CD2-CD2 4.45Å; L557-F579 HydrophobicContact CD2-CG 4.24Å; L566-F579 HydrophobicContact CB-CD1 4.17Å; L566-F579 HydrophobicContact CB-CE1 3.99Å; L566-F579 WeakPolarHBondContact O-CE1 3.28Å; V568-F579 HydrophobicContact CG1-CE1 4.25Å; V568-F579 HydrophobicContact CG1-CZ 3.96Å; H577-F579 AromaticContact CD2-CD2 3.95Å; H577-F579 AromaticContact CD2-CE2 3.91Å; F579-L582 HydrophobicContact CB-CD1 4.47Å; F579-L582 HydrophobicContact CB-CD2 4.41Å
580S92.6Very high90.4Very high67 Ų6749 Ų4947%0.46929%0.286SS..  trans-134.9173.9178.964.50000111.8S534 L582S534-S580 CarbonylContact O-C 3.58Å; S534-S580 WeakPolarHBondContact O-CA 3.47Å; S580-L582 PolarHBondContact O-N 2.92Å
581S89.9Confident90.3Very high115 Ų11549 Ų4980%0.80429%0.287SS*.SBendtrans61.625.5-176.2-55.50000114.9S534S534-S581 PolarHBondContact O-N 2.79Å
582L90.3Very high90.5Very high7 Ų744.1 Ų44.14%0.03726%0.26CS..PPolyproline II helixtrans-72.1155.7175.9-53.9-176.1000112.2S534 V536 L557 L566 F579 S580 Y588 F615 T617S534-L582 WeakPolarHBondContact CA-O 3.01Å; S534-L582 WeakPolarHBondContact CB-O 3.46Å; S534-L582 PolarHBondContact O-N 3.04Å; V536-L582 HydrophobicContact CB-CD1 4.39Å; V536-L582 HydrophobicContact CG1-CD1 3.93Å; L557-L582 HydrophobicContact CD2-CD1 3.86Å; L557-L582 HydrophobicContact CD2-CD2 3.43Å; L557-L582 VanDerWaalsContact CD2-CD2 3.43Å; L557-L582 HydrophobicContact CD2-CG 4.31Å; L566-L582 HydrophobicContact CD1-CD2 3.75Å; F579-L582 HydrophobicContact CB-CD1 4.47Å; F579-L582 HydrophobicContact CB-CD2 4.41Å; S580-L582 PolarHBondContact O-N 2.92Å; L582-Y588 HydrophobicContact CB-CE2 4.15Å; L582-Y588 HydrophobicContact CD2-CE1 4.17Å; L582-F615 HydrophobicContact CD1-CZ 4.42Å; L582-T617 HydrophobicContact CB-CG2 4.06Å; L582-T617 HydrophobicContact CD1-CG2 4.13Å
583Q88.9Confident90.8Very high76 Ų7644 Ų4436%0.35526%0.256SS..PPolyproline II helixtrans-76.1138.4174-57-166.960.700110.3D561 H586 Y588 T617D561-Q583 PolarHBondContact OD2-NE2 2.82Å; Q583-H586 HydrophobicContact CB-CB 4.11Å; Q583-Y588 PolarHBondContact N-OH 2.97Å; Q583-T617 WeakPolarHBondContact O-CB 3.33Å; Q583-T617 WeakPolarHBondContact O-CG2 3.41Å; Q583-T617 PolarHBondContact O-OG1 2.84Å
584A88.6Confident91Very high2 Ų239.3 Ų39.32%0.01722%0.223CC..THydrogen-bonded Turntrans-78.2144.5179.600000112.6S533 H586 T617 Y620S533-A584 WeakPolarHBondContact O-CA 3.48Å; S533-A584 VanDerWaalsContact O-CB 3.24Å; S533-A584 WeakPolarHBondContact O-CB 3.06Å; S533-A584 PolarHBondContact O-N 2.95Å; A584-H586 PolarHBondContact O-N 2.74Å; A584-H586 PolarHBondContact O-ND1 2.83Å; A584-T617 WeakPolarHBondContact CA-OG1 3.39Å; A584-Y620 HydrophobicContact CB-CD1 4.41Å; A584-Y620 HydrophobicContact CB-CD2 3.55Å; A584-Y620 HydrophobicContact CB-CE1 4.23Å; A584-Y620 HydrophobicContact CB-CE2 3.31Å; A584-Y620 HydrophobicContact CB-CG 4.1Å
585A86.2Confident91.1Very high22 Ų2238.2 Ų38.218%0.18222%0.215CC..THydrogen-bonded Turntrans56.731.2-176.900000115T617 R618 P619 K692A585-T617 VanDerWaalsContact CA-O 3.25Å; A585-T617 WeakPolarHBondContact CA-O 3.32Å; A585-T617 PolarHBondContact N-O 3.13Å; A585-T617 PolarHBondContact N-OG1 3.29Å; A585-R618 PolarHBondContact N-O 2.9Å; A585-P619 HydrophobicContact CB-CB 4.12Å; A585-K692 HydrophobicContact CB-CB 4.19Å; A585-K692 HydrophobicContact CB-CD 4.04Å; A585-K692 HydrophobicContact CB-CG 4.09Å
586H88.1Confident90.9Very high58 Ų5835.3 Ų35.327%0.26920%0.197SC..  trans-113.2152.3176.3-74.867000110.7Q583 A584 Y588 W616 T617Q583-H586 HydrophobicContact CB-CB 4.11Å; A584-H586 PolarHBondContact O-N 2.74Å; A584-H586 PolarHBondContact O-ND1 2.83Å; H586-Y588 HydrophobicContact CB-CE2 3.92Å; H586-W616 WeakPolarHBondContact O-CA 3.32Å; H586-T617 PolarHBondContact N-OG1 2.91Å; H586-T617 PolarHBondContact O-N 2.66Å; H586-T617 PolarHBondContact O-OG1 2.87Å
587M89.4Confident90.1Very high44 Ų4430.6 Ų30.622%0.21718%0.176CC..EExtended strand (participates in β ladder)trans-92137.9179-168174.667.300110.8S560 F615 W616S560-M587 WeakPolarHBondContact CB-O 3.36Å; S560-M587 PolarHBondContact N-O 3.12Å; S560-M587 PolarHBondContact OG-O 3.38Å; M587-F615 WeakPolarHBondContact CA-O 3.48Å; M587-F615 WeakPolarHBondContact CG-O 3.12Å; M587-W616 HydrophobicContact CB-CD2 3.71Å; M587-W616 HydrophobicContact CB-CE3 3.97Å; M587-W616 HydrophobicContact CB-CG 4.27Å; M587-W616 HydrophobicContact CB-CH2 4.02Å; M587-W616 HydrophobicContact CB-CZ2 3.77Å; M587-W616 HydrophobicContact CB-CZ3 4.12Å; M587-W616 HydrophobicContact CG-CD2 4.16Å; M587-W616 HydrophobicContact CG-CG 4.35Å; M587-W616 HydrophobicContact CG-CZ2 4.17Å; M587-W616 HydrophobicContact SD-CZ2 3.83Å
588Y91.8Very high88.7Confident9 Ų932.7 Ų32.74%0.03519%0.188CC..EExtended strand (participates in β ladder)trans-133146.4177.8-68.9-89.1000109.3L557 M558 P559 L582 Q583 H586 Q614 F615 T617L557-Y588 HydrophobicContact CD2-CD1 3.63Å; L557-Y588 HydrophobicContact CD2-CE1 4.05Å; L557-Y588 HydrophobicContact CD2-CG 4.18Å; L557-Y588 HydrophobicContact CG-CD1 3.93Å; L557-Y588 HydrophobicContact CG-CG 4.39Å; M558-Y588 CarbonylContact O-C 3.59Å; M558-Y588 WeakPolarHBondContact O-CA 3.28Å; P559-Y588 HydrophobicContact CB-CD1 4.09Å; P559-Y588 HydrophobicContact CB-CE1 3.87Å; P559-Y588 HydrophobicContact CG-CD1 4.16Å; P559-Y588 HydrophobicContact CG-CE1 3.89Å; L582-Y588 HydrophobicContact CB-CE2 4.15Å; L582-Y588 HydrophobicContact CD2-CE1 4.17Å; Q583-Y588 PolarHBondContact N-OH 2.97Å; H586-Y588 HydrophobicContact CB-CE2 3.92Å; Y588-Q614 WeakPolarHBondContact O-CA 3.41Å; Y588-F615 VanDerWaalsContact CB-CE1 3.46Å; Y588-F615 HydrophobicContact CD2-CE2 4.44Å; Y588-F615 HydrophobicContact CD2-CZ 4.26Å; Y588-F615 HydrophobicContact CG-CE1 4.49Å; Y588-F615 HydrophobicContact CG-CZ 4.15Å; Y588-F615 PolarHBondContact N-O 2.89Å; Y588-F615 WeakPolarHBondContact O-CD1 3.5Å; Y588-F615 PolarHBondContact O-N 2.04Å; Y588-T617 HydrophobicContact CD2-CG2 3.94Å; Y588-T617 HydrophobicContact CE2-CG2 3.77Å
589T91.9Very high87Confident24 Ų2437.1 Ų37.115%0.14720%0.197CC..EExtended strand (participates in β ladder)trans-111.3130.7172.1-52.10000108.7M558 P612 L613 Q614M558-T589 PolarHBondContact N-O 2.98Å; M558-T589 PolarHBondContact O-N 2.83Å; T589-P612 HydrophobicContact CG2-CB 3.41Å; T589-P612 VanDerWaalsContact CG2-CB 3.41Å; T589-L613 WeakPolarHBondContact CA-O 3.05Å; T589-Q614 HydrophobicContact CG2-CG 4.03Å; T589-Q614 PolarHBondContact OG1-NE2 3.25Å
590V92.9Very high84.8Confident0 Ų041.9 Ų41.90%023%0.23CC..EExtended strand (participates in β ladder)trans-96.6130.6173-173.70000108.9L538 L557 V592 P612 L613 F615L538-V590 HydrophobicContact CD1-CG1 3.69Å; L538-V590 HydrophobicContact CD1-CG2 4.21Å; L538-V590 HydrophobicContact CD2-CG1 4.22Å; L538-V590 HydrophobicContact CD2-CG2 3.82Å; L557-V590 HydrophobicContact CD1-CG2 3.9Å; V590-V592 HydrophobicContact CG1-CG2 4.14Å; V590-P612 WeakPolarHBondContact O-CA 3.5Å; V590-L613 HydrophobicContact CB-CB 4.33Å; V590-L613 PolarHBondContact N-O 2.77Å; V590-L613 PolarHBondContact O-N 2.96Å; V590-F615 HydrophobicContact CG2-CD1 3.95Å; V590-F615 HydrophobicContact CG2-CE1 3.67Å
591D90.9Very high83Confident26 Ų2645 Ų4514%0.13924%0.241CC..EExtended strand (participates in β ladder)trans-122.4148.8163-178.225.6000109.6S556 M558 S609S556-D591 PolarHBondContact N-O 3.19Å; S556-D591 PolarHBondContact O-N 3.46Å; S556-D591 WeakPolarHBondContact OG-CB 3.2Å; S556-D591 PolarHBondContact OG-O 2.03Å; M558-D591 HydrophobicContact CE-CB 3.94Å; M558-D591 HydrophobicContact SD-CB 4.16Å; D591-S609 VanDerWaalsContact OD1-CB 3.26Å; D591-S609 WeakPolarHBondContact OD1-CB 3.04Å; D591-S609 PolarHBondContact OD1-OG 3.32Å
592V92.2Very high81.6Confident0 Ų042.5 Ų42.50%022%0.217CC..EExtended strand (participates in β ladder)trans-140.2126.5177.7-177.20000109.1V523 L526 V553 H554 V555 V590 A610V523-V592 HydrophobicContact CG1-CG1 4Å; V523-V592 HydrophobicContact CG2-CB 4.04Å; V523-V592 HydrophobicContact CG2-CG1 3.63Å; L526-V592 HydrophobicContact CD1-CB 4.37Å; L526-V592 HydrophobicContact CD1-CG2 3.59Å; L526-V592 HydrophobicContact CD2-CB 4.18Å; L526-V592 HydrophobicContact CD2-CG2 3.83Å; L526-V592 HydrophobicContact CG-CG2 4.38Å; V553-V592 HydrophobicContact CG1-CG1 3.5Å; V553-V592 VanDerWaalsContact CG1-CG1 3.5Å; H554-V592 WeakPolarHBondContact O-CA 3Å; V555-V592 HydrophobicContact CB-CG2 4.45Å; V555-V592 HydrophobicContact CG1-CG2 4.06Å; V555-V592 HydrophobicContact CG2-CG1 4.24Å; V555-V592 HydrophobicContact CG2-CG2 4.17Å; V590-V592 HydrophobicContact CG1-CG2 4.14Å; V592-A610 HydrophobicContact CB-CB 4.38Å; V592-A610 PolarHBondContact O-N 2.96Å; V592-A610 VanDerWaalsContact O-N 3.11Å
593L91.8Very high80.5Confident41 Ų4148.8 Ų48.822%0.21524%0.244CC..EExtended strand (participates in β ladder)trans-126.7131.9-177-57.3170.9000109.3H554 S607H554-L593 HydrophobicContact CB-CB 4.42Å; H554-L593 PolarHBondContact N-O 2.98Å; H554-L593 PolarHBondContact O-N 2.87Å; L593-S607 WeakPolarHBondContact CA-OG 3.04Å
594T91.2Very high80.1Confident0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-84.7154.4168.273.70000110P520 Q521 V523 V550 T606 S607P520-T594 WeakPolarHBondContact CB-OG1 3.29Å; P520-T594 WeakPolarHBondContact CG-OG1 3.24Å; Q521-T594 VanDerWaalsContact O-CG2 3.24Å; Q521-T594 WeakPolarHBondContact O-CG2 3.49Å; Q521-T594 PolarHBondContact O-OG1 2.93Å; V523-T594 HydrophobicContact CG1-CG2 3.49Å; V523-T594 VanDerWaalsContact CG1-CG2 3.49Å; V550-T594 HydrophobicContact CG1-CG2 4.12Å; V550-T594 HydrophobicContact CG2-CG2 4.21Å; T594-T606 CarbonylContact O-C 3.2Å; T594-T606 WeakPolarHBondContact O-CA 3.39Å; T594-S607 PolarHBondContact N-OG 3.3Å; T594-S607 PolarHBondContact O-N 2.97Å; T594-S607 WeakPolarHBondContact OG1-CB 3.45Å
595Q89.8Confident80Confident21 Ų2149.3 Ų49.310%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-127.2137173.3174.2-178.7-25.300110.3S551 R552 H554 G597 P604 S605 T606S551-Q595 PolarHBondContact N-O 3.08Å; R552-Q595 HydrophobicContact CB-CB 4.34Å; R552-Q595 PolarHBondContact N-O 2.03Å; R552-Q595 PolarHBondContact O-N 3.47Å; H554-Q595 PolarHBondContact NE2-OE1 3.48Å; Q595-G597 PolarHBondContact NE2-O 2.91Å; Q595-P604 HydrophobicContact CG-CB 4.37Å; Q595-S605 WeakPolarHBondContact CA-O 3.28Å; Q595-T606 HydrophobicContact CB-CG2 4.32Å
596S86.9Confident80.2Confident0 Ų051.1 Ų51.10%026%0.263CS..EExtended strand (participates in β ladder)trans-108.3144163.8-167.60000111.1G489 R517 A549 P604 S605G489-S596 PolarHBondContact O-OG 3.15Å; R517-S596 PolarHBondContact NE-OG 3.49Å; R517-S596 PolarHBondContact NH2-OG 2.83Å; R517-S596 VanDerWaalsContact NH2-OG 3.15Å; A549-S596 WeakPolarHBondContact O-CB 3.48Å; A549-S596 PolarHBondContact O-OG 2.77Å; S596-P604 WeakPolarHBondContact O-CA 3.03Å; S596-S605 PolarHBondContact N-O 2.57Å; S596-S605 PolarHBondContact O-N 2.89Å
597G76.6Confident80.4Confident2 Ų248.5 Ų48.52%0.02125%0.252CS..  trans92126.1-170.800000110.9S551 Q595S551-G597 PolarHBondContact OG-N 2.81Å; Q595-G597 PolarHBondContact NE2-O 2.91Å
598I63.8Low80.4Confident95 Ų9550.3 Ų50.349%0.48726%0.259SS..SBendtrans-98.8-36.6-170.7-66.3174000111S551 R552 E602S551-I598 VanDerWaalsContact CB-CG1 3.43Å; R552-I598 PolarHBondContact NH1-O 2.8Å; R552-I598 VanDerWaalsContact NH1-O 3.09Å; R552-I598 PolarHBondContact NH2-O 3.03Å; R552-I598 VanDerWaalsContact NH2-O 3.12Å; I598-E602 PolarHBondContact N-OE2 3.23Å
599R59.6Low80.3Confident156 Ų15651.8 Ų51.859%0.58927%0.271SS*.SBendtrans-98.8150.8-176.9-54.3-179.8179.1-176.4-1.4111.2D601 E602R599-D601 PolarHBondContact O-N 3.36Å; R599-E602 HydrophobicContact CB-CB 4.48Å; R599-E602 HydrophobicContact CB-CG 3.92Å; R599-E602 WeakPolarHBondContact CD-OE1 3.36Å; R599-E602 HydrophobicContact CG-CG 4.42Å; R599-E602 WeakPolarHBondContact CG-OE1 3.03Å; R599-E602 PolarHBondContact N-OE2 2.78Å; R599-E602 IonicContact NE-OE1 3.7Å; R599-E602 PolarHBondContact O-N 3.21Å
600P47.9Very low80.1Confident115 Ų11551.7 Ų51.775%0.74727%0.272SS*.G310 helixtrans-55.4-31.3170.9-24.235.3000112.7E602P600-E602 VanDerWaalsContact C-N 3.26Å; P600-E602 PolarHBondContact O-N 3.19Å
601D54.7Low79.4Confident131 Ų13152.7 Ų52.770%0.70128%0.283SS*.G310 helixtrans-76.5-5.7-175.9-32.8-74.2000114R599R599-D601 PolarHBondContact O-N 3.36Å
602E59.7Low78.7Confident64 Ų6456 Ų5630%0.29931%0.306SS..G310 helixtrans-103.412.3-170.2-72.8169.4173.700114.5R517 I598 R599 P600R517-E602 PolarHBondContact NH1-O 2.59Å; I598-E602 PolarHBondContact N-OE2 3.23Å; R599-E602 HydrophobicContact CB-CB 4.48Å; R599-E602 HydrophobicContact CB-CG 3.92Å; R599-E602 WeakPolarHBondContact CD-OE1 3.36Å; R599-E602 HydrophobicContact CG-CG 4.42Å; R599-E602 WeakPolarHBondContact CG-OE1 3.03Å; R599-E602 PolarHBondContact N-OE2 2.78Å; R599-E602 IonicContact NE-OE1 3.7Å; R599-E602 PolarHBondContact O-N 3.21Å; P600-E602 VanDerWaalsContact C-N 3.26Å; P600-E602 PolarHBondContact O-N 3.19Å
603F68.3Low78.5Confident138 Ų13858.7 Ų58.761%0.60532%0.32SS*.  trans51.373.9-175.5-60.3-87.2000112.5R517R517-F603 WeakPolarHBondContact CD-O 3.41Å
604P79.2Confident78.4Confident70 Ų7063 Ų6346%0.45534%0.339SS..  trans-65144-175.127.5-35.3000112.6Q595 S596Q595-P604 HydrophobicContact CG-CB 4.37Å; S596-P604 WeakPolarHBondContact O-CA 3.03Å
605S87.1Confident78.4Confident19 Ų1963.8 Ų63.813%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-131.2137.7180-175.60000110.3R517 T518 P520 Q595 S596R517-S605 PolarHBondContact O-OG 3.46Å; T518-S605 PolarHBondContact O-OG 3.4Å; P520-S605 WeakPolarHBondContact CG-O 2.99Å; Q595-S605 WeakPolarHBondContact CA-O 3.28Å; S596-S605 PolarHBondContact N-O 2.57Å; S596-S605 PolarHBondContact O-N 2.89Å
606T90.3Very high78.4Confident60 Ų6066.3 Ų66.337%0.36835%0.351SS..EExtended strand (participates in β ladder)trans-115.4146.3-174.751.70000112.5R519 T594 Q595R519-T606 VanDerWaalsContact CG-O 3.31Å; R519-T606 WeakPolarHBondContact CG-O 2.94Å; R519-T606 PolarHBondContact NH1-O 2.8Å; T594-T606 CarbonylContact O-C 3.2Å; T594-T606 WeakPolarHBondContact O-CA 3.39Å; Q595-T606 HydrophobicContact CB-CG2 4.32Å
607S91.7Very high78.6Confident4 Ų466.3 Ų66.33%0.02835%0.351CS..  trans-65.3174.9-178.670.10000113.5P520 L593 T594P520-S607 WeakPolarHBondContact O-CA 3.49Å; P520-S607 WeakPolarHBondContact O-CB 3.36Å; L593-S607 WeakPolarHBondContact CA-OG 3.04Å; T594-S607 PolarHBondContact N-OG 3.3Å; T594-S607 PolarHBondContact O-N 2.97Å; T594-S607 WeakPolarHBondContact OG1-CB 3.45Å
608H90.5Very high79.3Confident81 Ų8170.9 Ų70.938%0.37537%0.368SS..  trans-68.4160.6156.3-73.1-60.7000110.1E436 R519 R522E436-H608 IonicContact OE2-CD2 2.62Å; E436-H608 IonicContact OE2-CE1 3.56Å; E436-H608 PolarHBondContact OE2-CE1 2.81Å; E436-H608 IonicContact OE2-NE2 3.66Å; E436-H608 PolarHBondContact OE2-NE2 2.77Å; R519-H608 WeakPolarHBondContact CD-CD2 2.97Å; R519-H608 WeakPolarHBondContact CD-NE2 3.39Å; R519-H608 PolarHBondContact NE-NE2 2.98Å; R522-H608 WeakPolarHBondContact CB-O 3.27Å
609S88.9Confident80.5Confident41 Ų4166.6 Ų66.629%0.28735%0.346SS..  trans-59.7135.3175.1-178.60000111.7D591 G611D591-S609 VanDerWaalsContact OD1-CB 3.26Å; D591-S609 WeakPolarHBondContact OD1-CB 3.04Å; D591-S609 PolarHBondContact OD1-OG 3.32Å; S609-G611 WeakPolarHBondContact OG-CA 3.2Å; S609-G611 PolarHBondContact OG-N 2.97Å; S609-G611 PolarHBondContact OG-O 2.91Å
610A88.1Confident82Confident21 Ų2162.9 Ų62.917%0.17433%0.333CS..SBendtrans-87.6-9.3163.500000113R522 V523 L526 V592R522-A610 HydrophobicContact CB-CB 4.37Å; V523-A610 HydrophobicContact CG2-CB 3.5Å; L526-A610 HydrophobicContact CB-CB 4.42Å; L526-A610 HydrophobicContact CD2-CB 4.05Å; V592-A610 HydrophobicContact CB-CB 4.38Å; V592-A610 PolarHBondContact O-N 2.96Å; V592-A610 VanDerWaalsContact O-N 3.11Å
611G77.8Confident83.9Confident21 Ų2159 Ų5922%0.21631%0.307CS..  trans-97.1-151.3170.200000112S609S609-G611 WeakPolarHBondContact OG-CA 3.2Å; S609-G611 PolarHBondContact OG-N 2.97Å; S609-G611 PolarHBondContact OG-O 2.91Å
612P77.5Confident85.5Confident96 Ų9652.8 Ų52.862%0.62327%0.274SS*.  cis-76.5122.6-4.529.2-32.8000112.1T589 V590T589-P612 HydrophobicContact CG2-CB 3.41Å; T589-P612 VanDerWaalsContact CG2-CB 3.41Å; V590-P612 WeakPolarHBondContact O-CA 3.5Å
613L87.2Confident86.9Confident56 Ų5654.5 Ų54.529%0.29328%0.282SS..EExtended strand (participates in β ladder)trans-97.3112.5169.2-66.6-176.2000110.3L526 L528 T589 V590L526-L613 HydrophobicContact CB-CD1 4.37Å; L526-L613 HydrophobicContact CD2-CD1 3.93Å; L526-L613 HydrophobicContact CD2-CG 4.28Å; L526-L613 HydrophobicContact CG-CD1 3.74Å; L528-L613 HydrophobicContact CD1-CB 4.04Å; L528-L613 HydrophobicContact CD1-CD1 3.83Å; T589-L613 WeakPolarHBondContact CA-O 3.05Å; V590-L613 HydrophobicContact CB-CB 4.33Å; V590-L613 PolarHBondContact N-O 2.77Å; V590-L613 PolarHBondContact O-N 2.96Å
614Q90Very high87.9Confident133 Ų13353.4 Ų53.462%0.62128%0.283SS*.EExtended strand (participates in β ladder)trans-91.6136.8178.7-62.6-168.2-39.200111.4Y588 T589Y588-Q614 WeakPolarHBondContact O-CA 3.41Å; T589-Q614 HydrophobicContact CG2-CG 4.03Å; T589-Q614 PolarHBondContact OG1-NE2 3.25Å
615F90.8Very high88.5Confident15 Ų1551.4 Ų51.47%0.06627%0.268CS..EExtended strand (participates in β ladder)trans-147.7167.1175.376.6-80.4000111.4L528 V531 V536 L557 L582 M587 Y588 V590 T617L528-F615 HydrophobicContact CD2-CB 3.45Å; L528-F615 VanDerWaalsContact CD2-CB 3.45Å; L528-F615 HydrophobicContact CD2-CD1 3.6Å; L528-F615 HydrophobicContact CD2-CD2 3.96Å; L528-F615 HydrophobicContact CD2-CE1 4.32Å; L528-F615 HydrophobicContact CD2-CG 3.38Å; V531-F615 HydrophobicContact CG1-CD2 3.75Å; V531-F615 HydrophobicContact CG1-CE2 3.96Å; V531-F615 HydrophobicContact CG2-CD2 3.92Å; V531-F615 HydrophobicContact CG2-CE2 4.42Å; V536-F615 HydrophobicContact CB-CE2 3.84Å; V536-F615 HydrophobicContact CB-CZ 3.69Å; V536-F615 HydrophobicContact CG1-CE1 4.34Å; V536-F615 HydrophobicContact CG1-CE2 4.3Å; V536-F615 HydrophobicContact CG1-CZ 3.65Å; V536-F615 HydrophobicContact CG2-CE1 4.29Å; V536-F615 HydrophobicContact CG2-CE2 3.99Å; V536-F615 HydrophobicContact CG2-CZ 3.86Å; L557-F615 HydrophobicContact CD1-CE1 3.77Å; L557-F615 HydrophobicContact CD1-CZ 3.99Å; L582-F615 HydrophobicContact CD1-CZ 4.42Å; M587-F615 WeakPolarHBondContact CA-O 3.48Å; M587-F615 WeakPolarHBondContact CG-O 3.12Å; Y588-F615 VanDerWaalsContact CB-CE1 3.46Å; Y588-F615 HydrophobicContact CD2-CE2 4.44Å; Y588-F615 HydrophobicContact CD2-CZ 4.26Å; Y588-F615 HydrophobicContact CG-CE1 4.49Å; Y588-F615 HydrophobicContact CG-CZ 4.15Å; Y588-F615 PolarHBondContact N-O 2.89Å; Y588-F615 WeakPolarHBondContact O-CD1 3.5Å; Y588-F615 PolarHBondContact O-N 2.04Å; V590-F615 HydrophobicContact CG2-CD1 3.95Å; V590-F615 HydrophobicContact CG2-CE1 3.67Å; F615-T617 HydrophobicContact CE2-CG2 4.13Å
616W90.3Very high88.8Confident74 Ų7453 Ų5328%0.2828%0.279SS..EExtended strand (participates in β ladder)trans-120.7134.3174.4-69.775.8000109.9V531 H586 M587 T694 I699V531-W616 WeakPolarHBondContact CG1-O 3.42Å; H586-W616 WeakPolarHBondContact O-CA 3.32Å; M587-W616 HydrophobicContact CB-CD2 3.71Å; M587-W616 HydrophobicContact CB-CE3 3.97Å; M587-W616 HydrophobicContact CB-CG 4.27Å; M587-W616 HydrophobicContact CB-CH2 4.02Å; M587-W616 HydrophobicContact CB-CZ2 3.77Å; M587-W616 HydrophobicContact CB-CZ3 4.12Å; M587-W616 HydrophobicContact CG-CD2 4.16Å; M587-W616 HydrophobicContact CG-CG 4.35Å; M587-W616 HydrophobicContact CG-CZ2 4.17Å; M587-W616 HydrophobicContact SD-CZ2 3.83Å; W616-T694 HydrophobicContact CD2-CG2 3.64Å; W616-T694 VanDerWaalsContact CE2-CG2 3.48Å; W616-T694 HydrophobicContact CE3-CG2 4.26Å; W616-T694 HydrophobicContact CG-CG2 3.86Å; W616-T694 HydrophobicContact CZ2-CG2 3.98Å; W616-I699 HydrophobicContact CB-CD1 3.48Å; W616-I699 VanDerWaalsContact CB-CD1 3.48Å; W616-I699 HydrophobicContact CG-CD1 3.79Å
617T91.3Very high88.8Confident1 Ų153 Ų531%0.00628%0.277CS..PPolyproline II helixtrans-65146.8168.452.70000110.3L582 Q583 A584 A585 H586 Y588 F615L582-T617 HydrophobicContact CB-CG2 4.06Å; L582-T617 HydrophobicContact CD1-CG2 4.13Å; Q583-T617 WeakPolarHBondContact O-CB 3.33Å; Q583-T617 WeakPolarHBondContact O-CG2 3.41Å; Q583-T617 PolarHBondContact O-OG1 2.84Å; A584-T617 WeakPolarHBondContact CA-OG1 3.39Å; A585-T617 VanDerWaalsContact CA-O 3.25Å; A585-T617 WeakPolarHBondContact CA-O 3.32Å; A585-T617 PolarHBondContact N-O 3.13Å; A585-T617 PolarHBondContact N-OG1 3.29Å; H586-T617 PolarHBondContact N-OG1 2.91Å; H586-T617 PolarHBondContact O-N 2.66Å; H586-T617 PolarHBondContact O-OG1 2.87Å; Y588-T617 HydrophobicContact CD2-CG2 3.94Å; Y588-T617 HydrophobicContact CE2-CG2 3.77Å; F615-T617 HydrophobicContact CE2-CG2 4.13Å
618R90.3Very high88.8Confident97 Ų9755.2 Ų55.237%0.36629%0.292SS..PPolyproline II helixtrans-68.9147.1-178.5-60.9-170.8-167.2-162.91.9111V531 S532 S533 A585V531-R618 WeakPolarHBondContact O-CD 3.38Å; V531-R618 PolarHBondContact O-NE 3.19Å; S532-R618 PolarHBondContact O-N 3.15Å; S533-R618 VanDerWaalsContact CA-O 3.23Å; S533-R618 WeakPolarHBondContact CA-O 3.47Å; S533-R618 WeakPolarHBondContact CB-O 3.35Å; A585-R618 PolarHBondContact N-O 2.9Å
619P90.3Very high88.6Confident6 Ų657.7 Ų57.74%0.03930%0.304CS..PPolyproline II helixtrans-65.7152.7170.929.1-34.7000110.9A585 S690 K692 S701A585-P619 HydrophobicContact CB-CB 4.12Å; P619-S690 WeakPolarHBondContact CB-OG 3.48Å; P619-K692 HydrophobicContact CG-CB 4.5Å; P619-S701 WeakPolarHBondContact O-CB 3.37Å
620Y89.8Confident88.7Confident77 Ų7757.6 Ų57.630%0.30230%0.301SS..PPolyproline II helixtrans-61.9136.5177-75.6-65.3000111.3A584 H645 S690A584-Y620 HydrophobicContact CB-CD1 4.41Å; A584-Y620 HydrophobicContact CB-CD2 3.55Å; A584-Y620 HydrophobicContact CB-CE1 4.23Å; A584-Y620 HydrophobicContact CB-CE2 3.31Å; A584-Y620 HydrophobicContact CB-CG 4.1Å; Y620-H645 HydrophobicContact CD2-CB 4.06Å; Y620-H645 AromaticContact CD2-CD2 3.87Å; Y620-H645 AromaticContact CE2-CD2 3.55Å; Y620-H645 AromaticContact CE2-CG 3.96Å; Y620-H645 AromaticContact CE2-NE2 3.95Å; Y620-S690 PolarHBondContact O-OG 3.21Å
621P88.6Confident88.8Confident33 Ų3358.9 Ų58.921%0.21431%0.307CS..PPolyproline II helixtrans-64.1152.6175.627.7-34.3000111.3H642 Q704P621-H642 PolarHBondContact O-NE2 2.8Å; P621-Q704 HydrophobicContact CB-CG 3.93Å
622P88.6Confident89.3Confident2 Ų259.7 Ų59.71%0.01331%0.308CS..PPolyproline II helixtrans-53144.4167.5-2231.5000110.8W639 F650 L688 Q704P622-W639 HydrophobicContact CB-CB 4.3Å; P622-W639 HydrophobicContact CB-CG 4.31Å; P622-F650 HydrophobicContact CG-CD1 4.2Å; P622-F650 HydrophobicContact CG-CE1 4.18Å; P622-L688 HydrophobicContact CB-CD2 3.92Å; P622-L688 HydrophobicContact CG-CD2 3.77Å; P622-L688 HydrophobicContact CG-CG 3.89Å; P622-Q704 HydrophobicContact CB-CG 4.49Å; P622-Q704 WeakPolarHBondContact O-CG 3.48Å; P622-Q704 PolarHBondContact O-NE2 3.19Å
623Q88.3Confident89.9Confident100 Ų10059.7 Ų59.747%0.46730%0.303SS..EExtended strand (participates in β ladder)trans-109.4153.3175.2-72.6-178.4-11.400110.6L625 S640Q623-L625 VanDerWaalsContact C-N 3.29Å; Q623-L625 PolarHBondContact O-N 2.76Å; Q623-S640 PolarHBondContact O-N 3.25Å
624N90.2Very high89.9Confident115 Ų11558.2 Ų58.262%0.61530%0.297SS*.EExtended strand (participates in β ladder)trans52.642.5175.6-50-37.9000113.9S626 S640N624-S626 PolarHBondContact O-N 3.22Å; N624-S626 PolarHBondContact O-OG 3.13Å; N624-S626 VanDerWaalsContact O-OG 3.08Å; N624-S640 PolarHBondContact ND2-OG 3.28Å
625L91.5Very high90Very high28 Ų2851.9 Ų51.915%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-60.5118173.4177.961.6000109.3Q623 I637 T638 W639 L688 Q704 L706Q623-L625 VanDerWaalsContact C-N 3.29Å; Q623-L625 PolarHBondContact O-N 2.76Å; L625-I637 HydrophobicContact CD1-CB 4.46Å; L625-I637 HydrophobicContact CD1-CD1 4.1Å; L625-T638 CarbonylContact C-O 3.56Å; L625-T638 WeakPolarHBondContact CA-O 3.33Å; L625-W639 HydrophobicContact CD1-CB 4.47Å; L625-L688 HydrophobicContact CD1-CD2 3.93Å; L625-L688 HydrophobicContact CD2-CB 4.04Å; L625-Q704 HydrophobicContact CD2-CB 4Å; L625-Q704 VanDerWaalsContact CD2-O 3.31Å; L625-Q704 WeakPolarHBondContact CD2-O 3.5Å; L625-L706 HydrophobicContact CD1-CD2 4.4Å; L625-L706 HydrophobicContact CD2-CB 3.83Å; L625-L706 HydrophobicContact CG-CB 4.05Å; L625-L706 HydrophobicContact CG-CD2 4.23Å
626S93Very high90.1Very high51 Ų5153.4 Ų53.436%0.35728%0.276SS..EExtended strand (participates in β ladder)trans-143.4164.7-169.546.90000111.5N624 I637 T638N624-S626 PolarHBondContact O-N 3.22Å; N624-S626 PolarHBondContact O-OG 3.13Å; N624-S626 VanDerWaalsContact O-OG 3.08Å; S626-I637 CarbonylContact O-C 3.53Å; S626-I637 WeakPolarHBondContact O-CA 3.43Å; S626-T638 PolarHBondContact N-O 2.92Å; S626-T638 PolarHBondContact O-N 2.84Å; S626-T638 PolarHBondContact OG-O 2.04Å; S626-T638 PolarHBondContact OG-OG1 3.28Å
627L91.4Very high90.2Very high62 Ų6249.9 Ų49.933%0.32526%0.263SS..EExtended strand (participates in β ladder)trans-110.6115.7-178.7-167.871.8000108.2V630 A635 I637 L706 F708L627-V630 HydrophobicContact CD1-CG2 4Å; L627-V630 HydrophobicContact CD2-CG2 3.43Å; L627-V630 VanDerWaalsContact CD2-CG2 3.43Å; L627-V630 HydrophobicContact CG-CG2 3.71Å; L627-A635 HydrophobicContact CD1-CB 4.21Å; L627-I637 HydrophobicContact CD1-CG2 4.05Å; L627-L706 HydrophobicContact CB-CD2 4.24Å; L627-L706 HydrophobicContact CD1-CD2 4.31Å; L627-F708 HydrophobicContact CD1-CB 4.35Å; L627-F708 HydrophobicContact CD1-CD1 3.75Å; L627-F708 HydrophobicContact CD1-CD2 4.47Å; L627-F708 HydrophobicContact CD1-CE1 4.13Å; L627-F708 HydrophobicContact CD1-CG 3.94Å; L627-F708 HydrophobicContact CD2-CB 3.47Å; L627-F708 VanDerWaalsContact CD2-CB 3.47Å; L627-F708 HydrophobicContact CD2-CD1 4.43Å; L627-F708 HydrophobicContact CD2-CG 3.96Å
628S90.1Very high90.2Very high49 Ų4951.6 Ų51.634%0.34327%0.273SS..EExtended strand (participates in β ladder)trans-94.9-45.8-176.859.40000112.4L636S628-L636 PolarHBondContact N-O 2.91Å; S628-L636 WeakPolarHBondContact OG-CD2 3.4Å; S628-L636 VanDerWaalsContact OG-CG 3.24Å; S628-L636 WeakPolarHBondContact OG-CG 3.4Å; S628-L636 PolarHBondContact OG-O 3.13Å; S628-L636 VanDerWaalsContact OG-O 3.12Å
629H87.1Confident90.4Very high134 Ų13447.6 Ų47.662%0.6226%0.258SS*.EExtended strand (participates in β ladder)trans-140.6140.7179.2-61.1-41.9000111.8A635 L636H629-A635 CarbonylContact O-C 3.53Å; H629-A635 WeakPolarHBondContact O-CA 3.38Å; H629-L636 HydrophobicContact CB-CB 4.35Å; H629-L636 PolarHBondContact O-N 2.88Å
630V91.4Very high90.2Very high38 Ų3849.6 Ų49.623%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-126.6138.9175.5-1740000109.3L627 L711L627-V630 HydrophobicContact CD1-CG2 4Å; L627-V630 HydrophobicContact CD2-CG2 3.43Å; L627-V630 VanDerWaalsContact CD2-CG2 3.43Å; L627-V630 HydrophobicContact CG-CG2 3.71Å; V630-L711 HydrophobicContact CG1-CG 4.35Å; V630-L711 WeakPolarHBondContact O-CD1 3.1Å
631T90.4Very high89.5Confident48 Ų4852.1 Ų52.129%0.29428%0.282SS..  trans-126.9178.7173.572.10000109N633 S634 L711T631-N633 VanDerWaalsContact C-N 3.27Å; T631-N633 PolarHBondContact O-N 2.79Å; T631-N633 PolarHBondContact OG1-N 2.96Å; T631-N633 PolarHBondContact OG1-OD1 3.04Å; T631-S634 PolarHBondContact N-O 3.49Å; T631-S634 WeakPolarHBondContact OG1-CA 3.03Å; T631-S634 PolarHBondContact OG1-N 3.08Å; T631-S634 PolarHBondContact OG1-O 3.37Å; T631-S634 PolarHBondContact OG1-OG 2.04Å; T631-L711 PolarHBondContact O-N 2.04Å
632P87.4Confident88.7Confident38 Ų3852.7 Ų52.725%0.24728%0.281CS..SBendtrans-64-27.3174.6-24.936.2000114.7T679 P680 L711P632-T679 CarbonylContact O-C 3.58Å; P632-P680 HydrophobicContact CB-CB 4.02Å; P632-P680 HydrophobicContact CB-CG 3.85Å; P632-P680 WeakPolarHBondContact O-CA 3.33Å; P632-P680 WeakPolarHBondContact O-CD 3.01Å; P632-P680 WeakPolarHBondContact O-CG 3.32Å; P632-P680 VanDerWaalsContact O-N 3.14Å; P632-L711 VanDerWaalsContact CA-O 3.26Å; P632-L711 WeakPolarHBondContact CA-O 3.24Å; P632-L711 WeakPolarHBondContact CB-O 3Å; P632-L711 HydrophobicContact CG-CB 4.11Å
633N89.3Confident87.8Confident96 Ų9658.7 Ų58.751%0.51332%0.318SS..SBendtrans-125.3-0.7-171.967.91.8000115.4T631 E677 L678T631-N633 VanDerWaalsContact C-N 3.27Å; T631-N633 PolarHBondContact O-N 2.79Å; T631-N633 PolarHBondContact OG1-N 2.96Å; T631-N633 PolarHBondContact OG1-OD1 3.04Å; N633-E677 PolarHBondContact O-N 3.31Å; N633-L678 WeakPolarHBondContact CA-O 3.25Å; N633-L678 PolarHBondContact O-N 2.87Å
634S89Confident86.8Confident25 Ų2564.6 Ų64.618%0.17534%0.336CS..  trans-156.3154.4-178.560.20000112.5T631 L675T631-S634 PolarHBondContact N-O 3.49Å; T631-S634 WeakPolarHBondContact OG1-CA 3.03Å; T631-S634 PolarHBondContact OG1-N 3.08Å; T631-S634 PolarHBondContact OG1-O 3.37Å; T631-S634 PolarHBondContact OG1-OG 2.04Å; S634-L675 CarbonylContact C-O 3.59Å; S634-L675 WeakPolarHBondContact CA-O 3.31Å; S634-L675 WeakPolarHBondContact CB-O 3.26Å
635A90.8Very high86Confident1 Ų162.7 Ų62.71%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-138.5134.8175.800000110.4L627 H629 T674 L675 L678 F708L627-A635 HydrophobicContact CD1-CB 4.21Å; H629-A635 CarbonylContact O-C 3.53Å; H629-A635 WeakPolarHBondContact O-CA 3.38Å; A635-T674 CarbonylContact O-C 3.59Å; A635-T674 WeakPolarHBondContact O-CA 3.41Å; A635-L675 PolarHBondContact N-O 2.83Å; A635-L675 PolarHBondContact O-N 3.32Å; A635-L678 HydrophobicContact CB-CD1 3.93Å; A635-F708 HydrophobicContact CB-CD2 4.33Å; A635-F708 HydrophobicContact CB-CE1 4.28Å; A635-F708 HydrophobicContact CB-CE2 3.54Å; A635-F708 HydrophobicContact CB-CZ 3.51Å
636L92.3Very high85.5Confident46 Ų4664.5 Ų64.524%0.24134%0.335CS..EExtended strand (participates in β ladder)trans-96.3116.3174.6-178.662.6000109S628 H629S628-L636 PolarHBondContact N-O 2.91Å; S628-L636 WeakPolarHBondContact OG-CD2 3.4Å; S628-L636 VanDerWaalsContact OG-CG 3.24Å; S628-L636 WeakPolarHBondContact OG-CG 3.4Å; S628-L636 PolarHBondContact OG-O 3.13Å; S628-L636 VanDerWaalsContact OG-O 3.12Å; H629-L636 HydrophobicContact CB-CB 4.35Å; H629-L636 PolarHBondContact O-N 2.88Å
637I93.1Very high85.2Confident0 Ų063 Ų630%032%0.324CS..EExtended strand (participates in β ladder)trans-99.3152.6171.160.3152.9000110.4L625 S626 L627 W639 I652 S672 Y673 L706L625-I637 HydrophobicContact CD1-CB 4.46Å; L625-I637 HydrophobicContact CD1-CD1 4.1Å; S626-I637 CarbonylContact O-C 3.53Å; S626-I637 WeakPolarHBondContact O-CA 3.43Å; L627-I637 HydrophobicContact CD1-CG2 4.05Å; I637-W639 HydrophobicContact CD1-CE3 4.1Å; I637-W639 HydrophobicContact CD1-CZ3 3.75Å; I637-W639 HydrophobicContact CG1-CE3 4.5Å; I637-W639 HydrophobicContact CG1-CZ3 4.1Å; I637-I652 HydrophobicContact CD1-CD1 3.42Å; I637-I652 VanDerWaalsContact CD1-CD1 3.42Å; I637-I652 HydrophobicContact CG1-CD1 4.45Å; I637-S672 CarbonylContact O-C 3.57Å; I637-S672 VanDerWaalsContact O-CA 3.22Å; I637-S672 WeakPolarHBondContact O-CA 3.35Å; I637-S672 WeakPolarHBondContact O-CB 3.41Å; I637-Y673 VanDerWaalsContact CG1-O 3.25Å; I637-Y673 WeakPolarHBondContact CG1-O 3.03Å; I637-Y673 PolarHBondContact N-O 2.86Å; I637-Y673 PolarHBondContact O-N 3.46Å; I637-L706 HydrophobicContact CB-CD2 4.41Å; I637-L706 HydrophobicContact CG2-CD2 3.65Å
638T92.6Very high84.9Confident37 Ų3762.7 Ų62.723%0.22732%0.323CS..EExtended strand (participates in β ladder)trans-135.8150.1-178.844.80000110.9L625 S626 G671L625-T638 CarbonylContact C-O 3.56Å; L625-T638 WeakPolarHBondContact CA-O 3.33Å; S626-T638 PolarHBondContact N-O 2.92Å; S626-T638 PolarHBondContact O-N 2.84Å; S626-T638 PolarHBondContact OG-O 2.04Å; S626-T638 PolarHBondContact OG-OG1 3.28Å; T638-G671 CarbonylContact C-O 3.58Å; T638-G671 WeakPolarHBondContact CA-O 3.49Å
639W92.5Very high84.8Confident13 Ų1360.4 Ų60.45%0.04931%0.306CS..EExtended strand (participates in β ladder)trans-150.7153.11756290.9000111.1P622 L625 I637 F650 L665 L670 G671 L688P622-W639 HydrophobicContact CB-CB 4.3Å; P622-W639 HydrophobicContact CB-CG 4.31Å; L625-W639 HydrophobicContact CD1-CB 4.47Å; I637-W639 HydrophobicContact CD1-CE3 4.1Å; I637-W639 HydrophobicContact CD1-CZ3 3.75Å; I637-W639 HydrophobicContact CG1-CE3 4.5Å; I637-W639 HydrophobicContact CG1-CZ3 4.1Å; W639-F650 AromaticContact CZ2-CD2 3.89Å; W639-F650 HydrophobicContact CZ2-CD2 3.89Å; W639-F650 AromaticContact CZ2-CE2 3.94Å; W639-F650 HydrophobicContact CZ2-CE2 3.94Å; W639-F650 HydrophobicContact CZ2-CG 4.29Å; W639-F650 HydrophobicContact CZ2-CZ 4.4Å; W639-F650 AromaticContact NE1-CE1 3.76Å; W639-F650 AromaticContact NE1-CE2 3.78Å; W639-F650 AromaticContact NE1-CZ 3.42Å; W639-L665 HydrophobicContact CH2-CD1 4.39Å; W639-L670 HydrophobicContact CH2-CB 4.35Å; W639-L670 HydrophobicContact CZ2-CB 3.77Å; W639-L670 PolarHBondContact NE1-O 2.96Å; W639-G671 PolarHBondContact N-O 3.45Å; W639-G671 WeakPolarHBondContact O-CA 3.45Å; W639-L688 HydrophobicContact CB-CD2 4.43Å; W639-L688 HydrophobicContact CD2-CD2 3.58Å; W639-L688 HydrophobicContact CE3-CD2 3.6Å; W639-L688 HydrophobicContact CG-CD2 3.97Å; W639-L688 HydrophobicContact CH2-CD2 4.48Å; W639-L688 HydrophobicContact CZ2-CD2 4.48Å; W639-L688 HydrophobicContact CZ3-CD2 4.07Å
640S86.9Confident84.8Confident48 Ų4854.4 Ų54.434%0.33628%0.279SS..EExtended strand (participates in β ladder)trans-69.1132.9175.5-65.70000111.1Q623 N624Q623-S640 PolarHBondContact O-N 3.25Å; N624-S640 PolarHBondContact ND2-OG 3.28Å
641R76Confident84.6Confident131 Ų13153.4 Ų53.449%0.49427%0.272SS..PPolyproline II helixtrans-87.6126.1177.7172.1175.1163.4-165.8-15110.9K669R641-K669 WeakPolarHBondContact CD-O 3.32Å
642H71.6Confident84.4Confident44 Ų4451.2 Ų51.220%0.20426%0.259CS..PPolyproline II helixtrans-68.5128.8169.6-71.6-58.6000110.7P621 H645P621-H642 PolarHBondContact O-NE2 2.8Å; H642-H645 VanDerWaalsContact CB-O 3.24Å; H642-H645 WeakPolarHBondContact CB-O 3.33Å
643V68.8Low84.5Confident128 Ų12851.3 Ų51.378%0.77626%0.257SS*.SBendtrans-86.6-38.6-176.2-177.90000112
644R68.3Low84.3Confident225 Ų22547.7 Ų47.785%0.84924%0.239SC*.SBendtrans-93-23.1-177.9-64.4-157.8-68.8-136.43.3115
645H72.7Confident84.1Confident75 Ų7548.1 Ų48.135%0.34724%0.24SC..  trans-125.692.3179.7-55.9-73.3000109.3Y620 H642Y620-H645 HydrophobicContact CD2-CB 4.06Å; Y620-H645 AromaticContact CD2-CD2 3.87Å; Y620-H645 AromaticContact CE2-CD2 3.55Å; Y620-H645 AromaticContact CE2-CG 3.96Å; Y620-H645 AromaticContact CE2-NE2 3.95Å; H642-H645 VanDerWaalsContact CB-O 3.24Å; H642-H645 WeakPolarHBondContact CB-O 3.33Å
646V81.3Confident83.7Confident65 Ų6552.4 Ų52.439%0.39426%0.256SS..  trans-89.6120.4178.1-175.80000108K669V646-K669 HydrophobicContact CG1-CG 3.96Å
647P85.5Confident83Confident19 Ų1953.3 Ų53.312%0.12328%0.277CS..  trans-71.5169.3174.831.5-34.8000110.8G649 F650 G668 V691P647-G649 VanDerWaalsContact C-N 3.31Å; P647-F650 HydrophobicContact CG-CE1 3.93Å; P647-F650 HydrophobicContact CG-CE2 4.32Å; P647-F650 HydrophobicContact CG-CZ 3.76Å; P647-G668 VanDerWaalsContact O-CA 3.32Å; P647-G668 WeakPolarHBondContact O-CA 3.45Å; P647-V691 WeakPolarHBondContact CB-O 3.4Å
648D86.6Confident81.8Confident57 Ų5761.6 Ų61.631%0.30532%0.32SS..SBendtrans-76.4-26.6175.9-56.5-27000110.9P666 V691 K692 N693D648-P666 CarbonylContact O-C 3.57Å; D648-V691 PolarHBondContact N-O 2.87Å; D648-K692 IonicContact OD1-NZ 2.74Å; D648-K692 PolarHBondContact OD1-NZ 3.06Å; D648-K692 WeakPolarHBondContact OD2-CD 3.1Å; D648-K692 WeakPolarHBondContact OD2-CE 3.14Å; D648-K692 IonicContact OD2-NZ 2.92Å; D648-K692 PolarHBondContact OD2-NZ 3.39Å; D648-N693 PolarHBondContact OD2-N 3.26Å
649G87.5Confident80.8Confident0 Ų065.1 Ų65.10%034%0.337CS..EExtended strand (participates in β ladder)trans-172.5-165.8172.900000113.3P647 L665 V691P647-G649 VanDerWaalsContact C-N 3.31Å; G649-L665 CarbonylContact C-O 3.45Å; G649-L665 WeakPolarHBondContact CA-O 3.13Å; G649-V691 PolarHBondContact N-O 3.17Å; G649-V691 PolarHBondContact O-N 2.92Å
650F87.1Confident80Confident9 Ų968.3 Ų68.34%0.03936%0.358CS..EExtended strand (participates in β ladder)trans-130.6146.5173.6-58.2-85000110.6P622 W639 P647 F664 L665 L670 L688 M689P622-F650 HydrophobicContact CG-CD1 4.2Å; P622-F650 HydrophobicContact CG-CE1 4.18Å; W639-F650 AromaticContact CZ2-CD2 3.89Å; W639-F650 HydrophobicContact CZ2-CD2 3.89Å; W639-F650 AromaticContact CZ2-CE2 3.94Å; W639-F650 HydrophobicContact CZ2-CE2 3.94Å; W639-F650 HydrophobicContact CZ2-CG 4.29Å; W639-F650 HydrophobicContact CZ2-CZ 4.4Å; W639-F650 AromaticContact NE1-CE1 3.76Å; W639-F650 AromaticContact NE1-CE2 3.78Å; W639-F650 AromaticContact NE1-CZ 3.42Å; P647-F650 HydrophobicContact CG-CE1 3.93Å; P647-F650 HydrophobicContact CG-CE2 4.32Å; P647-F650 HydrophobicContact CG-CZ 3.76Å; F650-F664 CarbonylContact O-C 3.41Å; F650-F664 WeakPolarHBondContact O-CA 3.05Å; F650-F664 WeakPolarHBondContact O-CD2 3.4Å; F650-L665 HydrophobicContact CB-CB 4.37Å; F650-L665 HydrophobicContact CB-CD1 4.48Å; F650-L665 PolarHBondContact N-O 3.03Å; F650-L665 PolarHBondContact O-N 2.93Å; F650-L670 HydrophobicContact CD2-CB 4.4Å; F650-L670 HydrophobicContact CE2-CB 4.19Å; F650-L688 HydrophobicContact CB-CD1 4.1Å; F650-M689 CarbonylContact C-O 3.46Å; F650-M689 WeakPolarHBondContact CA-O 3.22Å; F650-M689 WeakPolarHBondContact CB-O 3.46Å
651V86.6Confident79.5Confident16 Ų1674.1 Ų74.110%0.09737%0.373CS..EExtended strand (participates in β ladder)trans-106.4131.8164.1167.30000108.6N653 R663 F664 M689 V691V651-N653 WeakPolarHBondContact CG1-OD1 3.35Å; V651-R663 WeakPolarHBondContact CA-O 3.45Å; V651-F664 HydrophobicContact CG2-CB 4.41Å; V651-F664 HydrophobicContact CG2-CD2 3.9Å; V651-M689 HydrophobicContact CB-CE 4.18Å; V651-M689 HydrophobicContact CG1-CE 3.77Å; V651-M689 PolarHBondContact N-O 2.98Å; V651-M689 PolarHBondContact O-N 3.11Å; V651-V691 HydrophobicContact CB-CG2 4.34Å; V651-V691 HydrophobicContact CG2-CG2 3.82Å
652I87.6Confident79.7Confident2 Ų272.2 Ų72.21%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-116.4122.2172.3-175.5160.1000110.4I637 V654 S662 R663 L665 Y673 L675 V686 A687 L688I637-I652 HydrophobicContact CD1-CD1 3.42Å; I637-I652 VanDerWaalsContact CD1-CD1 3.42Å; I637-I652 HydrophobicContact CG1-CD1 4.45Å; I652-V654 HydrophobicContact CG1-CG2 4.09Å; I652-S662 CarbonylContact O-C 3.56Å; I652-S662 WeakPolarHBondContact O-CA 3.07Å; I652-R663 HydrophobicContact CG2-CB 4Å; I652-R663 PolarHBondContact N-O 2.85Å; I652-R663 PolarHBondContact O-N 2.03Å; I652-L665 HydrophobicContact CG2-CD1 4.25Å; I652-L665 HydrophobicContact CG2-CG 4.47Å; I652-Y673 HydrophobicContact CD1-CD1 4.35Å; I652-Y673 HydrophobicContact CG2-CD1 4.44Å; I652-Y673 HydrophobicContact CG2-CE1 4.42Å; I652-L675 HydrophobicContact CD1-CD2 3.73Å; I652-L675 HydrophobicContact CD1-CG 4.41Å; I652-L675 HydrophobicContact CG1-CD2 4.44Å; I652-V686 HydrophobicContact CD1-CG1 3.65Å; I652-V686 HydrophobicContact CG1-CG1 3.72Å; I652-A687 WeakPolarHBondContact CA-O 3Å; I652-L688 HydrophobicContact CB-CD1 3.91Å; I652-L688 HydrophobicContact CD1-CD1 4.35Å; I652-L688 HydrophobicContact CG1-CD1 4.38Å
653N88.6Confident80.1Confident41 Ų4176.7 Ų76.722%0.21940%0.395CS..EExtended strand (participates in β ladder)trans-106.8124.7174.4-68.1-11.3000108.7V651 T660 R661 S662 V686 A687V651-N653 WeakPolarHBondContact CG1-OD1 3.35Å; N653-T660 HydrophobicContact CB-CG2 3.99Å; N653-R661 WeakPolarHBondContact CA-O 3.44Å; N653-S662 WeakPolarHBondContact OD1-CA 3.36Å; N653-S662 WeakPolarHBondContact OD1-CB 3.48Å; N653-V686 CarbonylContact O-C 3.5Å; N653-V686 VanDerWaalsContact O-CA 3.32Å; N653-V686 WeakPolarHBondContact O-CA 2.96Å; N653-A687 HydrophobicContact CB-CB 4.38Å; N653-A687 PolarHBondContact N-O 3Å; N653-A687 PolarHBondContact O-N 3.14Å
654V85.5Confident80.8Confident19 Ų1974.5 Ų74.512%0.11538%0.375CS..EExtended strand (participates in β ladder)trans-117.2114.3-178.9-176.70000109.1I652 T660 R661 L675 Y684 V686I652-V654 HydrophobicContact CG1-CG2 4.09Å; V654-T660 CarbonylContact O-C 3.57Å; V654-T660 WeakPolarHBondContact O-CA 3.04Å; V654-R661 PolarHBondContact N-O 2.79Å; V654-R661 PolarHBondContact O-N 2.85Å; V654-L675 HydrophobicContact CG1-CD1 4.46Å; V654-L675 HydrophobicContact CG2-CD1 3.9Å; V654-L675 HydrophobicContact CG2-CD2 3.6Å; V654-L675 HydrophobicContact CG2-CG 4.4Å; V654-Y684 HydrophobicContact CG1-CD1 3.67Å; V654-Y684 HydrophobicContact CG1-CE1 4.23Å; V654-V686 HydrophobicContact CG1-CG2 4.49Å; V654-V686 HydrophobicContact CG2-CG2 4.37Å
655T84.4Confident81.6Confident34 Ų3464.4 Ų64.421%0.20934%0.338CS..EExtended strand (participates in β ladder)trans-111.7131.8-172.5-55.50000111.1G657 N659 T660 Y684 Y685T655-G657 VanDerWaalsContact CG2-O 3.32Å; T655-G657 WeakPolarHBondContact CG2-O 3.03Å; T655-N659 CarbonylContact C-O 3.39Å; T655-N659 WeakPolarHBondContact CA-O 3.41Å; T655-T660 WeakPolarHBondContact CG2-OG1 3.47Å; T655-T660 WeakPolarHBondContact OG1-CG2 3.21Å; T655-T660 PolarHBondContact OG1-OG1 2.85Å; T655-Y684 WeakPolarHBondContact O-CA 3.45Å; T655-Y685 PolarHBondContact N-O 2.67Å; T655-Y685 PolarHBondContact O-N 3.48Å
656R83.1Confident82Confident91 Ų9165.8 Ų65.834%0.34335%0.354SS..EExtended strand (participates in β ladder)trans-132.4103.8176.8-166.9-16774172.71.5109.4L658 N659 T679 Y684R656-L658 PolarHBondContact O-N 3.2Å; R656-N659 PolarHBondContact N-O 2.76Å; R656-N659 PolarHBondContact O-N 2.96Å; R656-T679 VanDerWaalsContact NH1-CG2 3.31Å; R656-T679 PolarHBondContact NH1-OG1 3.14Å; R656-Y684 HydrophobicContact CB-CD1 3.87Å; R656-Y684 HydrophobicContact CB-CE1 3.68Å; R656-Y684 HydrophobicContact CG-CD1 4.19Å; R656-Y684 HydrophobicContact CG-CE1 3.86Å
657G75.8Confident82.1Confident65 Ų6566.4 Ų66.467%0.6736%0.355SS*.THydrogen-bonded Turntrans61.4-126.6-166.100000109.9T655T655-G657 VanDerWaalsContact CG2-O 3.32Å; T655-G657 WeakPolarHBondContact CG2-O 3.03Å
658L69Low81.8Confident174 Ų17465.8 Ų65.891%0.91135%0.352SS*.THydrogen-bonded Turntrans-81.1-12.1177-58.9176.7000114R656R656-L658 PolarHBondContact O-N 3.2Å
659N71.1Confident81.7Confident111 Ų11169.2 Ų69.259%0.59436%0.364SS*.EExtended strand (participates in β ladder)trans-93.6114.5-171-69-1.9000111.7T655 R656T655-N659 CarbonylContact C-O 3.39Å; T655-N659 WeakPolarHBondContact CA-O 3.41Å; R656-N659 PolarHBondContact N-O 2.76Å; R656-N659 PolarHBondContact O-N 2.96Å
660T76.8Confident81.6Confident80 Ų8071.5 Ų71.549%0.49138%0.376SS..EExtended strand (participates in β ladder)trans-105132174.7-600000111.4N653 V654 T655N653-T660 HydrophobicContact CB-CG2 3.99Å; V654-T660 CarbonylContact O-C 3.57Å; V654-T660 WeakPolarHBondContact O-CA 3.04Å; T655-T660 WeakPolarHBondContact CG2-OG1 3.47Å; T655-T660 WeakPolarHBondContact OG1-CG2 3.21Å; T655-T660 PolarHBondContact OG1-OG1 2.85Å
661R76Confident81.6Confident170 Ų17072.3 Ų72.364%0.64239%0.387SS*.EExtended strand (participates in β ladder)trans-112.4118.6170.3-70.2-178172.1-165.9-4.2109.6N653 V654 E677N653-R661 WeakPolarHBondContact CA-O 3.44Å; V654-R661 PolarHBondContact N-O 2.79Å; V654-R661 PolarHBondContact O-N 2.85Å; R661-E677 IonicContact NH1-OE2 3.49Å; R661-E677 PolarHBondContact NH1-OE2 2.89Å
662S80Confident81.8Confident92 Ų9274.1 Ų74.164%0.64340%0.401SS*.EExtended strand (participates in β ladder)trans-93.2150.3174.753.20000111.8I652 N653I652-S662 CarbonylContact O-C 3.56Å; I652-S662 WeakPolarHBondContact O-CA 3.07Å; N653-S662 WeakPolarHBondContact OD1-CA 3.36Å; N653-S662 WeakPolarHBondContact OD1-CB 3.48Å
663R79.8Confident82Confident137 Ų13776.5 Ų76.552%0.51741%0.41SS..EExtended strand (participates in β ladder)trans-149.1133.6171.5-176.4175.2-67-144.92.3110.8V651 I652 L665 Y673V651-R663 WeakPolarHBondContact CA-O 3.45Å; I652-R663 HydrophobicContact CG2-CB 4Å; I652-R663 PolarHBondContact N-O 2.85Å; I652-R663 PolarHBondContact O-N 2.03Å; R663-L665 HydrophobicContact CG-CD2 4.33Å; R663-Y673 VanDerWaalsContact CD-OH 3.25Å; R663-Y673 WeakPolarHBondContact CD-OH 3.43Å; R663-Y673 PolarHBondContact NH1-OH 2.86Å; R663-Y673 VanDerWaalsContact NH1-OH 3.16Å
664F83.5Confident82.1Confident83 Ų8376.7 Ų76.736%0.36441%0.413SS..EExtended strand (participates in β ladder)trans-88.9143.4170.2-179-122000111.2F650 V651 P666 V691F650-F664 CarbonylContact O-C 3.41Å; F650-F664 WeakPolarHBondContact O-CA 3.05Å; F650-F664 WeakPolarHBondContact O-CD2 3.4Å; V651-F664 HydrophobicContact CG2-CB 4.41Å; V651-F664 HydrophobicContact CG2-CD2 3.9Å; F664-P666 HydrophobicContact CD1-CB 4.24Å; F664-P666 HydrophobicContact CE1-CB 3.68Å; F664-P666 HydrophobicContact CZ-CB 4.3Å; F664-V691 HydrophobicContact CD2-CG2 4.26Å; F664-V691 HydrophobicContact CE2-CB 4.07Å; F664-V691 HydrophobicContact CE2-CG1 4.24Å; F664-V691 HydrophobicContact CE2-CG2 3.95Å
665L84.8Confident82.2Confident12 Ų1276.3 Ų76.36%0.06341%0.41CS..EExtended strand (participates in β ladder)trans-123.5100.2179.5-57.3177.8000108.1W639 G649 F650 I652 R663 N667 L670 Y673W639-L665 HydrophobicContact CH2-CD1 4.39Å; G649-L665 CarbonylContact C-O 3.45Å; G649-L665 WeakPolarHBondContact CA-O 3.13Å; F650-L665 HydrophobicContact CB-CB 4.37Å; F650-L665 HydrophobicContact CB-CD1 4.48Å; F650-L665 PolarHBondContact N-O 3.03Å; F650-L665 PolarHBondContact O-N 2.93Å; I652-L665 HydrophobicContact CG2-CD1 4.25Å; I652-L665 HydrophobicContact CG2-CG 4.47Å; R663-L665 HydrophobicContact CG-CD2 4.33Å; L665-N667 PolarHBondContact O-N 3.22Å; L665-L670 HydrophobicContact CB-CD1 3.95Å; L665-L670 HydrophobicContact CD1-CD1 4.4Å; L665-Y673 HydrophobicContact CD1-CD1 4.24Å; L665-Y673 HydrophobicContact CD1-CD2 4.08Å; L665-Y673 HydrophobicContact CD1-CG 3.92Å; L665-Y673 HydrophobicContact CD2-CD2 3.95Å; L665-Y673 HydrophobicContact CD2-CE1 4.31Å; L665-Y673 HydrophobicContact CD2-CE2 3.66Å; L665-Y673 HydrophobicContact CD2-CG 4.42Å
666P82.3Confident82.3Confident105 Ų10583.4 Ų83.468%0.68243%0.433SS*.  trans-78.331.1-167.833.9-39.2000114.4D648 F664D648-P666 CarbonylContact O-C 3.57Å; F664-P666 HydrophobicContact CD1-CB 4.24Å; F664-P666 HydrophobicContact CE1-CB 3.68Å; F664-P666 HydrophobicContact CZ-CB 4.3Å
667N82.4Confident82.4Confident78 Ų7885.6 Ų85.642%0.41745%0.447SS..  trans-140.193.5-178.4179.31000110.2L665 K669 L670L665-N667 PolarHBondContact O-N 3.22Å; N667-K669 PolarHBondContact O-N 2.04Å; N667-K669 WeakPolarHBondContact OD1-CB 3.4Å; N667-K669 PolarHBondContact OD1-N 2.98Å; N667-L670 HydrophobicContact CB-CD1 4.02Å; N667-L670 HydrophobicContact CB-CG 4.03Å; N667-L670 WeakPolarHBondContact O-CB 3.05Å; N667-L670 WeakPolarHBondContact O-CD1 3.29Å; N667-L670 VanDerWaalsContact O-CG 3.27Å; N667-L670 WeakPolarHBondContact O-CG 3.39Å; N667-L670 PolarHBondContact O-N 2.84Å
668G80.4Confident82.9Confident6 Ų683.2 Ų83.26%0.06242%0.419CS..THydrogen-bonded Turntrans-63.4-6.617700000116P647 L670P647-G668 VanDerWaalsContact O-CA 3.32Å; P647-G668 WeakPolarHBondContact O-CA 3.45Å; G668-L670 VanDerWaalsContact C-N 3.33Å
669K84.4Confident83.7Confident128 Ų12877.1 Ų77.156%0.55739%0.389SS*.THydrogen-bonded Turntrans-86.9-0.8172.7-60.4177.5-178172.80113R641 V646 N667R641-K669 WeakPolarHBondContact CD-O 3.32Å; V646-K669 HydrophobicContact CG1-CG 3.96Å; N667-K669 PolarHBondContact O-N 2.04Å; N667-K669 WeakPolarHBondContact OD1-CB 3.4Å; N667-K669 PolarHBondContact OD1-N 2.98Å
670L85.1Confident84.6Confident48 Ų4874.1 Ų74.125%0.25138%0.375SS..  trans-64.8142.3170.7-72.8167.3000111.7W639 F650 L665 N667 G668W639-L670 HydrophobicContact CH2-CB 4.35Å; W639-L670 HydrophobicContact CZ2-CB 3.77Å; W639-L670 PolarHBondContact NE1-O 2.96Å; F650-L670 HydrophobicContact CD2-CB 4.4Å; F650-L670 HydrophobicContact CE2-CB 4.19Å; L665-L670 HydrophobicContact CB-CD1 3.95Å; L665-L670 HydrophobicContact CD1-CD1 4.4Å; N667-L670 HydrophobicContact CB-CD1 4.02Å; N667-L670 HydrophobicContact CB-CG 4.03Å; N667-L670 WeakPolarHBondContact O-CB 3.05Å; N667-L670 WeakPolarHBondContact O-CD1 3.29Å; N667-L670 VanDerWaalsContact O-CG 3.27Å; N667-L670 WeakPolarHBondContact O-CG 3.39Å; N667-L670 PolarHBondContact O-N 2.84Å; G668-L670 VanDerWaalsContact C-N 3.33Å
671G87Confident85Confident26 Ų2672.5 Ų72.527%0.26837%0.374SS..  trans-130.18.3170.200000113.3T638 W639T638-G671 CarbonylContact C-O 3.58Å; T638-G671 WeakPolarHBondContact CA-O 3.49Å; W639-G671 PolarHBondContact N-O 3.45Å; W639-G671 WeakPolarHBondContact O-CA 3.45Å
672S90.8Very high85.6Confident55 Ų5568.3 Ų68.339%0.38536%0.362SS..EExtended strand (participates in β ladder)trans-157.5153.1178.764.20000111.5I637I637-S672 CarbonylContact O-C 3.57Å; I637-S672 VanDerWaalsContact O-CA 3.22Å; I637-S672 WeakPolarHBondContact O-CA 3.35Å; I637-S672 WeakPolarHBondContact O-CB 3.41Å
673Y90.8Very high86.2Confident51 Ų5167.4 Ų67.420%0.235%0.348CS..EExtended strand (participates in β ladder)trans-153.2137.4175.5-171.7-115.1000112.6I637 I652 R663 L665 L675I637-Y673 VanDerWaalsContact CG1-O 3.25Å; I637-Y673 WeakPolarHBondContact CG1-O 3.03Å; I637-Y673 PolarHBondContact N-O 2.86Å; I637-Y673 PolarHBondContact O-N 3.46Å; I652-Y673 HydrophobicContact CD1-CD1 4.35Å; I652-Y673 HydrophobicContact CG2-CD1 4.44Å; I652-Y673 HydrophobicContact CG2-CE1 4.42Å; R663-Y673 VanDerWaalsContact CD-OH 3.25Å; R663-Y673 WeakPolarHBondContact CD-OH 3.43Å; R663-Y673 PolarHBondContact NH1-OH 2.86Å; R663-Y673 VanDerWaalsContact NH1-OH 3.16Å; L665-Y673 HydrophobicContact CD1-CD1 4.24Å; L665-Y673 HydrophobicContact CD1-CD2 4.08Å; L665-Y673 HydrophobicContact CD1-CG 3.92Å; L665-Y673 HydrophobicContact CD2-CD2 3.95Å; L665-Y673 HydrophobicContact CD2-CE1 4.31Å; L665-Y673 HydrophobicContact CD2-CE2 3.66Å; L665-Y673 HydrophobicContact CD2-CG 4.42Å; Y673-L675 HydrophobicContact CD1-CD2 3.97Å; Y673-L675 HydrophobicContact CE1-CD2 3.97Å
674T91.1Very high86.6Confident46 Ų4661.6 Ų61.628%0.28233%0.326SS..EExtended strand (participates in β ladder)trans-92.4109.5175.2-39.90000110.6A635 R676A635-T674 CarbonylContact O-C 3.59Å; A635-T674 WeakPolarHBondContact O-CA 3.41Å; T674-R676 HydrophobicContact CG2-CG 4.06Å
675L88.5Confident86.9Confident11 Ų1164.3 Ų64.36%0.05833%0.334CS..EExtended strand (participates in β ladder)trans-67.7129.4162.1-62.2-177.8000108.9S634 A635 I652 V654 Y673 L678 V686 F708S634-L675 CarbonylContact C-O 3.59Å; S634-L675 WeakPolarHBondContact CA-O 3.31Å; S634-L675 WeakPolarHBondContact CB-O 3.26Å; A635-L675 PolarHBondContact N-O 2.83Å; A635-L675 PolarHBondContact O-N 3.32Å; I652-L675 HydrophobicContact CD1-CD2 3.73Å; I652-L675 HydrophobicContact CD1-CG 4.41Å; I652-L675 HydrophobicContact CG1-CD2 4.44Å; V654-L675 HydrophobicContact CG1-CD1 4.46Å; V654-L675 HydrophobicContact CG2-CD1 3.9Å; V654-L675 HydrophobicContact CG2-CD2 3.6Å; V654-L675 HydrophobicContact CG2-CG 4.4Å; Y673-L675 HydrophobicContact CD1-CD2 3.97Å; Y673-L675 HydrophobicContact CE1-CD2 3.97Å; L675-L678 HydrophobicContact CB-CD1 4.15Å; L675-L678 HydrophobicContact CB-CD2 4.36Å; L675-V686 HydrophobicContact CD1-CG2 3.73Å; L675-F708 HydrophobicContact CD1-CE1 4.13Å; L675-F708 HydrophobicContact CD1-CZ 4.01Å
676R86.5Confident87Confident182 Ų18263.8 Ų63.869%0.68733%0.332SS*.  trans-125.6172.2-179.9-61.1-177.9-177.4-174.3-0.1109.6T674 L678T674-R676 HydrophobicContact CG2-CG 4.06Å; R676-L678 PolarHBondContact O-N 2.05Å
677E84.3Confident87.3Confident138 Ų13859.4 Ų59.465%0.64530%0.304SS*.SBendtrans60.430.7-178.7-55.5159.7-142.100113.4N633 R661N633-E677 PolarHBondContact O-N 3.31Å; R661-E677 IonicContact NH1-OE2 3.49Å; R661-E677 PolarHBondContact NH1-OE2 2.89Å
678L85.8Confident87.6Confident15 Ų1555.7 Ų55.78%0.07928%0.284CS..PPolyproline II helixtrans-79.6151.5173.5-50.5-177.2000110.1N633 A635 L675 R676 Y684 F708 T710N633-L678 WeakPolarHBondContact CA-O 3.25Å; N633-L678 PolarHBondContact O-N 2.87Å; A635-L678 HydrophobicContact CB-CD1 3.93Å; L675-L678 HydrophobicContact CB-CD1 4.15Å; L675-L678 HydrophobicContact CB-CD2 4.36Å; R676-L678 PolarHBondContact O-N 2.05Å; L678-Y684 WeakPolarHBondContact CA-OH 3.1Å; L678-Y684 HydrophobicContact CB-CE2 3.94Å; L678-Y684 HydrophobicContact CD2-CD1 4.31Å; L678-Y684 HydrophobicContact CD2-CE1 3.84Å; L678-Y684 HydrophobicContact CD2-CE2 4.23Å; L678-Y684 HydrophobicContact CG-CE2 4.47Å; L678-F708 HydrophobicContact CD1-CE2 3.88Å; L678-F708 HydrophobicContact CD1-CZ 3.93Å; L678-T710 HydrophobicContact CB-CG2 3.72Å; L678-T710 HydrophobicContact CD1-CG2 3.79Å; L678-T710 HydrophobicContact CG-CG2 4.43Å
679T87.4Confident88.1Confident45 Ų4556.5 Ų56.528%0.27629%0.287SS..PPolyproline II helixtrans-89.8134.117444.70000110.6P632 R656 H682 Y684 T710P632-T679 CarbonylContact O-C 3.58Å; R656-T679 VanDerWaalsContact NH1-CG2 3.31Å; R656-T679 PolarHBondContact NH1-OG1 3.14Å; T679-H682 PolarHBondContact OG1-CD2 2.03Å; T679-H682 PolarHBondContact OG1-ND1 2.89Å; T679-Y684 PolarHBondContact N-OH 2.94Å; T679-Y684 PolarHBondContact OG1-OH 3.01Å; T679-Y684 VanDerWaalsContact OG1-OH 3.13Å; T679-T710 PolarHBondContact O-OG1 2.04Å
680P88.8Confident88.4Confident48 Ų4850.5 Ų50.531%0.31226%0.261SS..THydrogen-bonded Turntrans-55.7144.7177.8-27.834.5000114P632 H682 L711 T713P632-P680 HydrophobicContact CB-CB 4.02Å; P632-P680 HydrophobicContact CB-CG 3.85Å; P632-P680 WeakPolarHBondContact O-CA 3.33Å; P632-P680 WeakPolarHBondContact O-CD 3.01Å; P632-P680 WeakPolarHBondContact O-CG 3.32Å; P632-P680 VanDerWaalsContact O-N 3.14Å; P680-H682 PolarHBondContact O-N 2.81Å; P680-H682 PolarHBondContact O-ND1 3.29Å; P680-L711 WeakPolarHBondContact CA-O 3.4Å; P680-L711 WeakPolarHBondContact CB-O 3.05Å; P680-T713 WeakPolarHBondContact CB-OG1 3.39Å; P680-T713 VanDerWaalsContact CG-OG1 3.26Å; P680-T713 WeakPolarHBondContact CG-OG1 3.02Å
681G86.2Confident88.5Confident46 Ų4648.2 Ų48.247%0.47425%0.249SC..THydrogen-bonded Turntrans64.416.6177.100000116.3T710 L711G681-T710 VanDerWaalsContact CA-O 3.31Å; G681-T710 WeakPolarHBondContact CA-O 3.3Å; G681-T710 PolarHBondContact N-O 2.83Å; G681-T710 PolarHBondContact N-OG1 3.36Å; G681-L711 PolarHBondContact N-O 3.32Å
682H88.8Confident88.4Confident82 Ų8249.3 Ų49.338%0.3825%0.247SC..  trans-107.3143-177.6-74.463.3000112.2T679 P680 Y684 T709 T710T679-H682 PolarHBondContact OG1-CD2 2.03Å; T679-H682 PolarHBondContact OG1-ND1 2.89Å; P680-H682 PolarHBondContact O-N 2.81Å; P680-H682 PolarHBondContact O-ND1 3.29Å; H682-Y684 HydrophobicContact CB-CD2 4.48Å; H682-Y684 HydrophobicContact CB-CE2 3.89Å; H682-Y684 WeakPolarHBondContact O-CD2 3.07Å; H682-T709 WeakPolarHBondContact O-CA 3.39Å; H682-T710 PolarHBondContact N-OG1 3.06Å; H682-T710 PolarHBondContact O-N 3.47Å; H682-T710 PolarHBondContact O-OG1 3.45Å
683H91.1Very high88Confident74 Ų7450.7 Ų50.734%0.34325%0.25SC..EExtended strand (participates in β ladder)trans-81.1137.7172.9-170.7-84000111.8Y685 F708 T709H683-Y685 AromaticContact CE1-CD1 3.99Å; H683-Y685 AromaticContact CE1-CD2 3.87Å; H683-Y685 AromaticContact CE1-CE1 3.65Å; H683-Y685 AromaticContact CE1-CE2 3.52Å; H683-Y685 AromaticContact CE1-CZ 3.41Å; H683-Y685 VanDerWaalsContact CE1-CZ 3.41Å; H683-Y685 AromaticContact ND1-CD2 3.82Å; H683-Y685 AromaticContact ND1-CE2 3.51Å; H683-Y685 AromaticContact ND1-CZ 3.86Å; H683-F708 CarbonylContact C-O 3.59Å; H683-F708 WeakPolarHBondContact CA-O 3.42Å; H683-T709 PolarHBondContact CD2-OG1 3.34Å
684Y87.8Confident87.2Confident14 Ų1450.2 Ų50.26%0.05525%0.252CS..EExtended strand (participates in β ladder)trans-129.3139.4179.2-74.3-88.1000110.8V654 T655 R656 L678 T679 H682 S707 F708 T710V654-Y684 HydrophobicContact CG1-CD1 3.67Å; V654-Y684 HydrophobicContact CG1-CE1 4.23Å; T655-Y684 WeakPolarHBondContact O-CA 3.45Å; R656-Y684 HydrophobicContact CB-CD1 3.87Å; R656-Y684 HydrophobicContact CB-CE1 3.68Å; R656-Y684 HydrophobicContact CG-CD1 4.19Å; R656-Y684 HydrophobicContact CG-CE1 3.86Å; L678-Y684 WeakPolarHBondContact CA-OH 3.1Å; L678-Y684 HydrophobicContact CB-CE2 3.94Å; L678-Y684 HydrophobicContact CD2-CD1 4.31Å; L678-Y684 HydrophobicContact CD2-CE1 3.84Å; L678-Y684 HydrophobicContact CD2-CE2 4.23Å; L678-Y684 HydrophobicContact CG-CE2 4.47Å; T679-Y684 PolarHBondContact N-OH 2.94Å; T679-Y684 PolarHBondContact OG1-OH 3.01Å; T679-Y684 VanDerWaalsContact OG1-OH 3.13Å; H682-Y684 HydrophobicContact CB-CD2 4.48Å; H682-Y684 HydrophobicContact CB-CE2 3.89Å; H682-Y684 WeakPolarHBondContact O-CD2 3.07Å; Y684-S707 WeakPolarHBondContact O-CA 3.04Å; Y684-F708 HydrophobicContact CD2-CE2 4.34Å; Y684-F708 PolarHBondContact N-O 2.82Å; Y684-F708 PolarHBondContact O-N 3.4Å; Y684-T710 HydrophobicContact CD2-CG2 4.2Å; Y684-T710 HydrophobicContact CE2-CG2 4Å
685Y90.3Very high86.1Confident140 Ų14051.4 Ų51.455%0.54927%0.273SS..EExtended strand (participates in β ladder)trans-105.3137.5165.4-66.7-84.7000109.1T655 H683T655-Y685 PolarHBondContact N-O 2.67Å; T655-Y685 PolarHBondContact O-N 3.48Å; H683-Y685 AromaticContact CE1-CD1 3.99Å; H683-Y685 AromaticContact CE1-CD2 3.87Å; H683-Y685 AromaticContact CE1-CE1 3.65Å; H683-Y685 AromaticContact CE1-CE2 3.52Å; H683-Y685 AromaticContact CE1-CZ 3.41Å; H683-Y685 VanDerWaalsContact CE1-CZ 3.41Å; H683-Y685 AromaticContact ND1-CD2 3.82Å; H683-Y685 AromaticContact ND1-CE2 3.51Å; H683-Y685 AromaticContact ND1-CZ 3.86Å
686V88.4Confident85Confident1 Ų159.9 Ų59.91%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-123.5133.8179.2179.70000108.7I652 N653 V654 L675 H705 L706 F708I652-V686 HydrophobicContact CD1-CG1 3.65Å; I652-V686 HydrophobicContact CG1-CG1 3.72Å; N653-V686 CarbonylContact O-C 3.5Å; N653-V686 VanDerWaalsContact O-CA 3.32Å; N653-V686 WeakPolarHBondContact O-CA 2.96Å; V654-V686 HydrophobicContact CG1-CG2 4.49Å; V654-V686 HydrophobicContact CG2-CG2 4.37Å; L675-V686 HydrophobicContact CD1-CG2 3.73Å; V686-H705 CarbonylContact O-C 3.58Å; V686-H705 VanDerWaalsContact O-CA 3.31Å; V686-H705 WeakPolarHBondContact O-CA 3.43Å; V686-L706 HydrophobicContact CB-CB 4.45Å; V686-L706 PolarHBondContact N-O 3.09Å; V686-L706 PolarHBondContact O-N 3.33Å; V686-F708 HydrophobicContact CG2-CE1 3.74Å
687A88.5Confident84.4Confident13 Ų1358 Ų5811%0.10731%0.312CS..EExtended strand (participates in β ladder)trans-119.2122.7167.800000109.3I652 N653 P703 Q704I652-A687 WeakPolarHBondContact CA-O 3Å; N653-A687 HydrophobicContact CB-CB 4.38Å; N653-A687 PolarHBondContact N-O 3Å; N653-A687 PolarHBondContact O-N 3.14Å; A687-P703 HydrophobicContact CB-CB 4.18Å; A687-Q704 CarbonylContact C-O 3.58Å; A687-Q704 WeakPolarHBondContact CA-O 3.06Å
688L88.1Confident84.3Confident0 Ų055.5 Ų55.50%030%0.3CS..EExtended strand (participates in β ladder)trans-110.7127.5177.1-17371.6000110P622 L625 W639 F650 I652 Q704P622-L688 HydrophobicContact CB-CD2 3.92Å; P622-L688 HydrophobicContact CG-CD2 3.77Å; P622-L688 HydrophobicContact CG-CG 3.89Å; L625-L688 HydrophobicContact CD1-CD2 3.93Å; L625-L688 HydrophobicContact CD2-CB 4.04Å; W639-L688 HydrophobicContact CB-CD2 4.43Å; W639-L688 HydrophobicContact CD2-CD2 3.58Å; W639-L688 HydrophobicContact CE3-CD2 3.6Å; W639-L688 HydrophobicContact CG-CD2 3.97Å; W639-L688 HydrophobicContact CH2-CD2 4.48Å; W639-L688 HydrophobicContact CZ2-CD2 4.48Å; W639-L688 HydrophobicContact CZ3-CD2 4.07Å; F650-L688 HydrophobicContact CB-CD1 4.1Å; I652-L688 HydrophobicContact CB-CD1 3.91Å; I652-L688 HydrophobicContact CD1-CD1 4.35Å; I652-L688 HydrophobicContact CG1-CD1 4.38Å; L688-Q704 PolarHBondContact N-O 3.03Å; L688-Q704 PolarHBondContact O-N 3.14Å
689M90.3Very high84.3Confident24 Ų2456.4 Ų56.412%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-123.3143.1176.9-67.2166.1-70.300109.5F650 V651 H700 S701 P703F650-M689 CarbonylContact C-O 3.46Å; F650-M689 WeakPolarHBondContact CA-O 3.22Å; F650-M689 WeakPolarHBondContact CB-O 3.46Å; V651-M689 HydrophobicContact CB-CE 4.18Å; V651-M689 HydrophobicContact CG1-CE 3.77Å; V651-M689 PolarHBondContact N-O 2.98Å; V651-M689 PolarHBondContact O-N 3.11Å; M689-H700 HydrophobicContact CB-CB 4.39Å; M689-H700 HydrophobicContact SD-CB 4.1Å; M689-S701 WeakPolarHBondContact CA-OG 3.35Å; M689-P703 HydrophobicContact CG-CB 3.72Å; M689-P703 HydrophobicContact SD-CB 4.11Å
690S90.1Very high84.3Confident2 Ų257.5 Ų57.51%0.01431%0.306CS..EExtended strand (participates in β ladder)trans-83155.7163.965.70000110P619 Y620 H700 S701P619-S690 WeakPolarHBondContact CB-OG 3.48Å; Y620-S690 PolarHBondContact O-OG 3.21Å; S690-H700 WeakPolarHBondContact O-CA 3.45Å; S690-S701 PolarHBondContact N-OG 3.29Å; S690-S701 PolarHBondContact O-N 2.04Å; S690-S701 VanDerWaalsContact OG-CB 3.31Å; S690-S701 WeakPolarHBondContact OG-CB 3.41Å; S690-S701 PolarHBondContact OG-OG 3.23Å
691V87.7Confident84.3Confident0 Ų055.4 Ų55.40%029%0.293CS..EExtended strand (participates in β ladder)trans-128.5134.3-174.4-172.70000110.8P647 D648 G649 V651 F664 Q698 I699P647-V691 WeakPolarHBondContact CB-O 3.4Å; D648-V691 PolarHBondContact N-O 2.87Å; G649-V691 PolarHBondContact N-O 3.17Å; G649-V691 PolarHBondContact O-N 2.92Å; V651-V691 HydrophobicContact CB-CG2 4.34Å; V651-V691 HydrophobicContact CG2-CG2 3.82Å; F664-V691 HydrophobicContact CD2-CG2 4.26Å; F664-V691 HydrophobicContact CE2-CB 4.07Å; F664-V691 HydrophobicContact CE2-CG1 4.24Å; F664-V691 HydrophobicContact CE2-CG2 3.95Å; V691-Q698 HydrophobicContact CG1-CB 3.9Å; V691-Q698 HydrophobicContact CG1-CG 4.12Å; V691-I699 WeakPolarHBondContact CA-O 3.45Å
692K85.2Confident84.4Confident49 Ų4958.3 Ų58.321%0.21330%0.296CS..EExtended strand (participates in β ladder)trans-109.1132.7158.5-17172.4-167124.10108.7A585 P619 D648 I699A585-K692 HydrophobicContact CB-CB 4.19Å; A585-K692 HydrophobicContact CB-CD 4.04Å; A585-K692 HydrophobicContact CB-CG 4.09Å; P619-K692 HydrophobicContact CG-CB 4.5Å; D648-K692 IonicContact OD1-NZ 2.74Å; D648-K692 PolarHBondContact OD1-NZ 3.06Å; D648-K692 WeakPolarHBondContact OD2-CD 3.1Å; D648-K692 WeakPolarHBondContact OD2-CE 3.14Å; D648-K692 IonicContact OD2-NZ 2.92Å; D648-K692 PolarHBondContact OD2-NZ 3.39Å; K692-I699 PolarHBondContact N-O 3.38Å; K692-I699 PolarHBondContact O-N 3.06Å
693N82.7Confident84.3Confident84 Ų8456.6 Ų56.645%0.44929%0.293SS..EExtended strand (participates in β ladder)trans-99.2125.4175.6-177.42.7000108.7D648 G695D648-N693 PolarHBondContact OD2-N 3.26Å; N693-G695 PolarHBondContact OD1-N 3.5Å
694T74.8Confident84.4Confident41 Ų4156.2 Ų56.225%0.25229%0.291SS..  trans-1056.6-177.662.70000113W616 Q696 E697 I699W616-T694 HydrophobicContact CD2-CG2 3.64Å; W616-T694 VanDerWaalsContact CE2-CG2 3.48Å; W616-T694 HydrophobicContact CE3-CG2 4.26Å; W616-T694 HydrophobicContact CG-CG2 3.86Å; W616-T694 HydrophobicContact CZ2-CG2 3.98Å; T694-Q696 PolarHBondContact O-N 3.43Å; T694-E697 PolarHBondContact N-O 2.84Å; T694-E697 VanDerWaalsContact N-O 3.07Å; T694-E697 PolarHBondContact OG1-N 2.72Å; T694-E697 PolarHBondContact OG1-O 3.26Å; T694-E697 VanDerWaalsContact OG1-O 3.13Å; T694-I699 HydrophobicContact CG2-CD1 3.56Å; T694-I699 HydrophobicContact CG2-CG1 4.06Å
695G68.1Low84.5Confident70 Ų7061.8 Ų61.872%0.72232%0.317SS*.SBendtrans83-22.7-178.500000114.3N693N693-G695 PolarHBondContact OD1-N 3.5Å
696Q63.8Low84.6Confident190 Ų19056.6 Ų56.689%0.88830%0.299SS*.SBendtrans-106.6-41169.8-67.7-177-8.900112.1T694T694-Q696 PolarHBondContact O-N 3.43Å
697E74.8Confident84.8Confident143 Ų14359.8 Ų59.867%0.66832%0.321SS*.  trans-137.6169.3-178.6-64.9-164.7152.600113.1T694T694-E697 PolarHBondContact N-O 2.84Å; T694-E697 VanDerWaalsContact N-O 3.07Å; T694-E697 PolarHBondContact OG1-N 2.72Å; T694-E697 PolarHBondContact OG1-O 3.26Å; T694-E697 VanDerWaalsContact OG1-O 3.13Å
698Q82.6Confident85Confident85 Ų8559.7 Ų59.740%0.39732%0.318SS..EExtended strand (participates in β ladder)trans-104.7122.5170.7-69.5-167.911.800110.4V691V691-Q698 HydrophobicContact CG1-CB 3.9Å; V691-Q698 HydrophobicContact CG1-CG 4.12Å
699I84.7Confident85.1Confident34 Ų3463.2 Ų63.217%0.17434%0.34CS..EExtended strand (participates in β ladder)trans-103.7117.8-177-57.9-172.8000109W616 V691 K692 T694W616-I699 HydrophobicContact CB-CD1 3.48Å; W616-I699 VanDerWaalsContact CB-CD1 3.48Å; W616-I699 HydrophobicContact CG-CD1 3.79Å; V691-I699 WeakPolarHBondContact CA-O 3.45Å; K692-I699 PolarHBondContact N-O 3.38Å; K692-I699 PolarHBondContact O-N 3.06Å; T694-I699 HydrophobicContact CG2-CD1 3.56Å; T694-I699 HydrophobicContact CG2-CG1 4.06Å
700H87.2Confident85.1Confident68 Ų6862.2 Ų62.232%0.31534%0.335SS..EExtended strand (participates in β ladder)trans-97147-173.1-58.6-61000112.4M689 S690M689-H700 HydrophobicContact CB-CB 4.39Å; M689-H700 HydrophobicContact SD-CB 4.1Å; S690-H700 WeakPolarHBondContact O-CA 3.45Å
701S90.2Very high85Confident4 Ų466.4 Ų66.43%0.02836%0.357CS..PPolyproline II helixtrans-67.9171.2164.871.60000111.6P619 M689 S690P619-S701 WeakPolarHBondContact O-CB 3.37Å; M689-S701 WeakPolarHBondContact CA-OG 3.35Å; S690-S701 PolarHBondContact N-OG 3.29Å; S690-S701 PolarHBondContact O-N 2.04Å; S690-S701 VanDerWaalsContact OG-CB 3.31Å; S690-S701 WeakPolarHBondContact OG-CB 3.41Å; S690-S701 PolarHBondContact OG-OG 3.23Å
702I86.6Confident84.7Confident106 Ų10670.8 Ų70.854%0.54439%0.385SS..PPolyproline II helixtrans-55.6134.7159.3-62.2170.6000108.1
703P88.4Confident84.1Confident47 Ų4773 Ų7331%0.30540%0.404SS..PPolyproline II helixtrans-70.8139.4179.727.6-34.7000112A687 M689 H705A687-P703 HydrophobicContact CB-CB 4.18Å; M689-P703 HydrophobicContact CG-CB 3.72Å; M689-P703 HydrophobicContact SD-CB 4.11Å; P703-H705 PolarHBondContact O-CD2 3.24Å
704Q91.7Very high83Confident66 Ų6675.7 Ų75.731%0.30841%0.413SS..EExtended strand (participates in β ladder)trans-103.8129172.9-67.3-78.346.500109.8P621 P622 L625 A687 L688P621-Q704 HydrophobicContact CB-CG 3.93Å; P622-Q704 HydrophobicContact CB-CG 4.49Å; P622-Q704 WeakPolarHBondContact O-CG 3.48Å; P622-Q704 PolarHBondContact O-NE2 3.19Å; L625-Q704 HydrophobicContact CD2-CB 4Å; L625-Q704 VanDerWaalsContact CD2-O 3.31Å; L625-Q704 WeakPolarHBondContact CD2-O 3.5Å; A687-Q704 CarbonylContact C-O 3.58Å; A687-Q704 WeakPolarHBondContact CA-O 3.06Å; L688-Q704 PolarHBondContact N-O 3.03Å; L688-Q704 PolarHBondContact O-N 3.14Å
705H90.3Very high81.9Confident130 Ų13080.4 Ų80.460%0.60244%0.441SS*.EExtended strand (participates in β ladder)trans-106142-167.9-67.8-86.3000112.9V686 P703V686-H705 CarbonylContact O-C 3.58Å; V686-H705 VanDerWaalsContact O-CA 3.31Å; V686-H705 WeakPolarHBondContact O-CA 3.43Å; P703-H705 PolarHBondContact O-CD2 3.24Å
706L92.9Very high80.7Confident31 Ų3186.3 Ų86.316%0.16244%0.442CS..EExtended strand (participates in β ladder)trans-144136.7175.7178.166.9000109.4L625 L627 I637 V686L625-L706 HydrophobicContact CD1-CD2 4.4Å; L625-L706 HydrophobicContact CD2-CB 3.83Å; L625-L706 HydrophobicContact CG-CB 4.05Å; L625-L706 HydrophobicContact CG-CD2 4.23Å; L627-L706 HydrophobicContact CB-CD2 4.24Å; L627-L706 HydrophobicContact CD1-CD2 4.31Å; I637-L706 HydrophobicContact CB-CD2 4.41Å; I637-L706 HydrophobicContact CG2-CD2 3.65Å; V686-L706 HydrophobicContact CB-CB 4.45Å; V686-L706 PolarHBondContact N-O 3.09Å; V686-L706 PolarHBondContact O-N 3.33Å
707S91.6Very high79.9Confident68 Ų6883.7 Ų83.748%0.47644%0.442SS..EExtended strand (participates in β ladder)trans-125.2136.3-179.6520000111.1Y684Y684-S707 WeakPolarHBondContact O-CA 3.04Å
708F92.9Very high78.2Confident11 Ų1180.6 Ų80.65%0.04845%0.448CS..EExtended strand (participates in β ladder)trans-156.4162.8178.567.6-92.8000113.1L627 A635 L675 L678 H683 Y684 V686 T710L627-F708 HydrophobicContact CD1-CB 4.35Å; L627-F708 HydrophobicContact CD1-CD1 3.75Å; L627-F708 HydrophobicContact CD1-CD2 4.47Å; L627-F708 HydrophobicContact CD1-CE1 4.13Å; L627-F708 HydrophobicContact CD1-CG 3.94Å; L627-F708 HydrophobicContact CD2-CB 3.47Å; L627-F708 VanDerWaalsContact CD2-CB 3.47Å; L627-F708 HydrophobicContact CD2-CD1 4.43Å; L627-F708 HydrophobicContact CD2-CG 3.96Å; A635-F708 HydrophobicContact CB-CD2 4.33Å; A635-F708 HydrophobicContact CB-CE1 4.28Å; A635-F708 HydrophobicContact CB-CE2 3.54Å; A635-F708 HydrophobicContact CB-CZ 3.51Å; L675-F708 HydrophobicContact CD1-CE1 4.13Å; L675-F708 HydrophobicContact CD1-CZ 4.01Å; L678-F708 HydrophobicContact CD1-CE2 3.88Å; L678-F708 HydrophobicContact CD1-CZ 3.93Å; H683-F708 CarbonylContact C-O 3.59Å; H683-F708 WeakPolarHBondContact CA-O 3.42Å; Y684-F708 HydrophobicContact CD2-CE2 4.34Å; Y684-F708 PolarHBondContact N-O 2.82Å; Y684-F708 PolarHBondContact O-N 3.4Å; V686-F708 HydrophobicContact CG2-CE1 3.74Å; F708-T710 HydrophobicContact CE2-CG2 4.23Å
709T91Very high76.1Confident75 Ų7587.5 Ų87.546%0.4647%0.47SS..EExtended strand (participates in β ladder)trans-112.6135.1173-55.40000110H682 H683H682-T709 WeakPolarHBondContact O-CA 3.39Å; H683-T709 PolarHBondContact CD2-OG1 3.34Å
710T90.1Very high73.8Confident3 Ų395.2 Ų95.22%0.01850%0.497CS..PPolyproline II helixtrans-70.4151.2173.746.30000112L678 T679 G681 H682 Y684 F708L678-T710 HydrophobicContact CB-CG2 3.72Å; L678-T710 HydrophobicContact CD1-CG2 3.79Å; L678-T710 HydrophobicContact CG-CG2 4.43Å; T679-T710 PolarHBondContact O-OG1 2.04Å; G681-T710 VanDerWaalsContact CA-O 3.31Å; G681-T710 WeakPolarHBondContact CA-O 3.3Å; G681-T710 PolarHBondContact N-O 2.83Å; G681-T710 PolarHBondContact N-OG1 3.36Å; H682-T710 PolarHBondContact N-OG1 3.06Å; H682-T710 PolarHBondContact O-N 3.47Å; H682-T710 PolarHBondContact O-OG1 3.45Å; Y684-T710 HydrophobicContact CD2-CG2 4.2Å; Y684-T710 HydrophobicContact CE2-CG2 4Å; F708-T710 HydrophobicContact CE2-CG2 4.23Å
711L88.4Confident71Confident90 Ų90100 Ų10047%0.47152%0.52SS..PPolyproline II helixtrans-65.4150.9177.2-64.2-178.8000111.5V630 T631 P632 P680 G681V630-L711 HydrophobicContact CG1-CG 4.35Å; V630-L711 WeakPolarHBondContact O-CD1 3.1Å; T631-L711 PolarHBondContact O-N 2.04Å; P632-L711 VanDerWaalsContact CA-O 3.26Å; P632-L711 WeakPolarHBondContact CA-O 3.24Å; P632-L711 WeakPolarHBondContact CB-O 3Å; P632-L711 HydrophobicContact CG-CB 4.11Å; P680-L711 WeakPolarHBondContact CA-O 3.4Å; P680-L711 WeakPolarHBondContact CB-O 3.05Å; G681-L711 PolarHBondContact N-O 3.32Å
712P80.8Confident68.3Low91 Ų91111 Ų11159%0.59156%0.561SS**PPolyproline II helixtrans-69.7150167.530.2-34.5000110.7Q714P712-Q714 PolarHBondContact O-N 3.41Å
713T73.4Confident66.2Low97 Ų97111.2 Ų111.260%0.59557%0.569SS**  trans-68.2110.5178.1-43.20000110.4P680 V715P680-T713 WeakPolarHBondContact CB-OG1 3.39Å; P680-T713 VanDerWaalsContact CG-OG1 3.26Å; P680-T713 WeakPolarHBondContact CG-OG1 3.02Å; T713-V715 PolarHBondContact O-N 2.84Å; T713-V715 VanDerWaalsContact O-N 3.14Å
714Q59.7Low63.3Low139 Ų139115 Ų11565%0.6559%0.591SS**  trans-73.3106.8173.3-72.9-159.326.900110.9P712P712-Q714 PolarHBondContact O-N 3.41Å
715V49.9Very low60.4Low140 Ų140118.2 Ų118.285%0.84862%0.615SS**  trans-69.8127.4155.4-179.10000107.5T713T713-V715 PolarHBondContact O-N 2.84Å; T713-V715 VanDerWaalsContact O-N 3.14Å
716R43.4Very low57.5Low195 Ų195118.6 Ų118.674%0.73663%0.627SS**  trans-131.3143.9168.1-76.4-169.2176.2-141.6-5.5110.8
717P46.4Very low54.5Low135 Ų135120.7 Ų120.788%0.87766%0.656SS**  trans-75.1144.9-176.5-10.327.8000111.2
718G40.3Very low51.4Low78 Ų78125.8 Ų125.880%0.80468%0.677SS**  trans-96.5153.2179.800000114
719R37.8Very low48.4Very low229 Ų229128.3 Ų128.386%0.86471%0.706SS**  trans-149170.4150-135177.3-177-173.70.4110.7
720R36Very low45.4Very low197 Ų197131.9 Ų131.974%0.74372%0.721SS**  trans-48.7163.7-178.1-56.6173.4-174.9170.5-6.7113.1
721E29.3Very low42.6Very low167 Ų167139.7 Ų139.778%0.7876%0.757SS**  cis-154.2175.936.4-133.1118.4-118.800114.2
722R34.1Very low39.7Very low236 Ų236142.2 Ų142.289%0.89178%0.776SS**  trans-120.3149.3167.7-106.6-174.3-178.7-175.51.5106.9
723P41.8Very low37.3Very low111 Ų111141.2 Ų141.272%0.72178%0.783SS**  -155.6-179.884.142.3-22.4000117.3
724T27.4Very low35.3Very low125 Ų125148.5 Ų148.577%0.76780%0.8SS**  trans10.3149.8151.256.40000121.3
725V30.1Very low33.7Very low134 Ų134148.6 Ų148.681%0.81281%0.809SS**  -158.4163.663.2164.70000113.3
726T29.7Very low32.6Very low139 Ų139151.2 Ų151.285%0.85381%0.809SS**  trans-83.8159-173.542.80000118.9
727G29.4Very low32.4Very low74 Ų74147 Ų14776%0.76381%0.808SS**  trans150.7131.4160.900000113.5
728L28.5Very low31.5Very low175 Ų175146.8 Ų146.892%0.91680%0.804SS**  cis105.6105.3-3.7-149.2-178.4000117.2
729G28Very low30.9Very low65 Ų65148.2 Ų148.267%0.6780%0.801SS**  trans15195156.600000122
730I28.9Very low30.5Very low149 Ų149146 Ų14676%0.76480%0.801SS**  61.5110.4125.9-62.1169.9000124.4
731Q31.5Very low30.7Very low168 Ų168141.2 Ų141.279%0.78580%0.795SS**  54.9158.6125.1-54.4-172.70.500128.3
732T27.9Very low30.6Very low142 Ų142142 Ų14287%0.87180%0.799SS**  trans96.2144.3155.671.50000119.5
733G30.3Very low30.1Very low71 Ų71138 Ų13873%0.73280%0.795SS**  cis164.6143.5-1900000117.8
734R31.7Very low29.5Very low250 Ų250141.4 Ų141.494%0.94381%0.806SS**  trans73.1165.8165.7-62.1-175.2173.3179.7-2116.8
735V25.3Very low29.3Very low141 Ų141139 Ų13986%0.85581%0.806SS**  cis-142.1168.330.3-176.70000114
736F27Very low29Very low194 Ų194136.3 Ų136.385%0.85181%0.806SS**  trans-93.6-162.5179.4-99.5-71.5000112.6
737P39.8Very low28.8Very low108 Ų108135 Ų13570%0.70180%0.803SS**  cis-125.6-162.7640.1-18.2000113.6
738T27.6Very low28.7Very low129 Ų129137.9 Ų137.979%0.79181%0.805SS**  cis-149.5-162.43.2-18.60000107.3
739S26.8Very low28.5Very low108 Ų108137.7 Ų137.776%0.75580%0.8SS**  cis-163.1172.9-4.734.50000110.3
740H29.7Very low28.4Very low184 Ų184140.2 Ų140.285%0.85280%0.797SS**  trans-153.4-179.3170.4-133.5-12.2000108.2
741P40.4Very low28.2Very low96 Ų96141.4 Ų141.462%0.62380%0.796SS**  cis-157.1-164.243.345.3-21.9000118.7
742Q26.9Very low27.9Very low183 Ų183140.1 Ų140.186%0.85580%0.795SS**  trans99.8143.3141.7-88168.7-2.700123.9
743D23.1Very low27.8Very low153 Ų153138.8 Ų138.882%0.81879%0.791SS**  trans-115.5167.5-174.6-66.5-78.5000112.9
744L29.4Very low27.5Very low181 Ų181144.1 Ų144.195%0.94880%0.797SS**  172.6128123.9-95.3159.2000116.1
745G23.8Very low27.2Very low75 Ų75140.3 Ų140.377%0.77379%0.79SS**  98.979.712100000123.6
746G24.2Very low27.2Very low78 Ų78138.8 Ų138.880%0.80478%0.777SS**  trans67.4155149.600000118.6
747S24.4Very low26.9Very low112 Ų112136.7 Ų136.778%0.78377%0.767SS**  cis-165-179.2-251.80000107.2
748T27.1Very low26.1Very low134 Ų134140.1 Ų140.182%0.82277%0.766SS**  cis-146.4-176.622.7220000112.6
749E24.9Very low25.9Very low171 Ų171142.8 Ų142.880%0.79976%0.763SS**  trans-66.2162.9172.8-67.6-172.9157.200115.1
750I26Very low25.7Very low118 Ų118143.4 Ų143.461%0.60576%0.763SS**  cis-157.2140.78.2-128162000112.6
751K24.8Very low25.4Very low173 Ų173142.4 Ų142.475%0.75276%0.758SS**  trans58.7145.9154.9-64.6173.3-174.3169.90119.7
752N24.8Very low24.6Very low141 Ų141144.1 Ų144.175%0.75476%0.762SS**  cis-157.5173.97.1-135.727.2000113.2
753S25Very low24.4Very low114 Ų114141.5 Ų141.580%0.79776%0.758SS**  trans81.5130.1168.671.20000117.5
754E25.6Very low24.4Very low183 Ų183139.4 Ų139.486%0.85575%0.746SS**  trans-126.4156.7-169.2-61.5166.3124.500110.5
755E25.1Very low24.3Very low170 Ų170139.8 Ų139.879%0.79474%0.735SS**  trans43154.5132.7-65.8-155.1161.600123.7
756L23.9Very low24.5Very low110 Ų110147.7 Ų147.758%0.57674%0.742SS**  cis-170.7174.7-28.5-112.7174.5000108.9
757F22.1Very low24.7Very low149 Ų149147.5 Ų147.565%0.65474%0.739SS**  trans62.9120.4147.6-69.2-39.3000124.3
758R23.5Very low24.8Very low180 Ų180151.8 Ų151.868%0.67974%0.744SS**  86.3159.9122.7-68.3-176.4170.8165.62.8122.1
759Y22.1Very low24.7Very low185 Ų185153.3 Ų153.373%0.72575%0.745SS**  trans-72.3169.2-172.9-3.4-86.2000112.1
760T23.5Very low24.8Very low122 Ų122151.4 Ų151.475%0.74875%0.746SS**  cis-165.8156.131.3-15.90000112.5
761E23.8Very low24.7Very low163 Ų163150.3 Ų150.376%0.76275%0.754SS**  trans59.3149.6143.7-100.3-165.7144.400127
762L22.5Very low24.8Very low132 Ų132153.9 Ų153.969%0.69176%0.763SS**  trans71.7104.5147.5-67167.3000124.6
763V22.4Very low24.7Very low127 Ų127157.1 Ų157.177%0.7777%0.771SS**  43.9114.6122.6-175.80000120.9
764D23.8Very low24.8Very low109 Ų109155.9 Ų155.958%0.58376%0.762SS**  176.6160.496.8-159.88.7000113.5
765R27.9Very low25Very low190 Ų190155 Ų15572%0.71776%0.758SS**  trans29.494.4153.9-89.9177.2-85.8-148.3-10.8119
766R27.9Very low25.2Very low241 Ų241155.5 Ų155.591%0.90977%0.765SS**  -174.6155.8109.8-103.8151-77.2-138.5-5.3111.8
767G27.8Very low25.5Very low73 Ų73156 Ų15675%0.75377%0.773SS**  trans-91.2155-177.400000114.2
768K27.4Very low26.2Very low202 Ų202154.1 Ų154.188%0.87878%0.776SS**  trans66.7144.3-170.7-67.3179.6176.3176.80111.8
769I24.5Very low26.3Very low166 Ų166155.1 Ų155.185%0.85179%0.785SS**  -142.7154.363.9-80.4159.2000113.2
770T26.7Very low26.4Very low132 Ų132152.1 Ų152.181%0.8179%0.785SS**  trans-95.1131.2171.350.30000112.9
771A24.2Very low26.5Very low94 Ų94154.5 Ų154.578%0.77779%0.792SS**  trans-157.6130.8146.700000107.8
772R26.1Very low26.6Very low248 Ų248157.5 Ų157.594%0.93680%0.796SS**  cis87.3136.545.4-91.9-163.5170.3-165.3-1.8114.6
773F24Very low26.7Very low209 Ų209158.3 Ų158.392%0.91780%0.796SS**  trans-63.8157.8-175.6-62.7-92.2000113.6
774S25.4Very low27Very low89 Ų89162.6 Ų162.662%0.62280%0.798SS**  trans-93171.9-172.745.60000114.3
775H29.8Very low27.3Very low164 Ų164162.5 Ų162.576%0.75980%0.802SS**  trans75.584.3167.3-42.2-67.5000118.1
776L30.4Very low27.6Very low180 Ų180165.3 Ų165.394%0.94281%0.813SS**  -153.6149.2116.2-100.1172.7000108.5
777T29Very low27.6Very low122 Ų122159.4 Ų159.475%0.74881%0.805SS**  trans-134.9-179.3-161.474.30000111.8
778P36.7Very low27.8Very low109 Ų109161.7 Ų161.771%0.70881%0.807SS**  -135.5159.1-108.834.6-12.5000118
779K26.5Very low28Very low201 Ų201157.8 Ų157.887%0.87480%0.802SS**  trans-171.9111.8143.6-101.8151.6-174.2176.80108.4
780V24.6Very low28.1Very low122 Ų122158 Ų15874%0.73980%0.804SS**  70.6104.872.6176.80000113
781I24.8Very low28.1Very low171 Ų171162.6 Ų162.688%0.87781%0.806SS**  trans-124.4142.4159.4-66.8-179.4000108.2
782R25.2Very low28.1Very low227 Ų227165.4 Ų165.486%0.85781%0.807SS**  trans-95.9163.2-178.3-81.2179.5178-176.8-0.6109.5
783H25.7Very low28.2Very low148 Ų148161.8 Ų161.869%0.68580%0.801SS**  cis-177.2-177.9-1.7157-101.1000107.8
784R28.1Very low28.4Very low217 Ų217159.8 Ų159.882%0.81979%0.792SS**  trans97.3101.1176-65-167.7165.7159-1.2115
785T30.3Very low28.7Very low108 Ų108163 Ų16366%0.66380%0.799SS**  84.1113.767.558.80000113.8
786R34.1Very low29.1Very low249 Ų249163.1 Ų163.194%0.9480%0.8SS**PPolyproline II helixtrans-71.8139.8-177.4-79.2178.4168.6167-4.8114.3
787P28.3Very low29.2Very low116 Ų116159.6 Ų159.675%0.75378%0.778SS**PPolyproline II helixtrans-93.3172.5143.9-10.930.4000112.7
788P31Very low29.3Very low122 Ų122159.8 Ų159.879%0.79278%0.779SS**PPolyproline II helixtrans-93173-16837.7-36.4000115.1
789P33Very low29Very low120 Ų120161.1 Ų161.178%0.77979%0.786SS**PPolyproline II helixtrans-95.4161-167.937.6-35.9000114.9
790I26.3Very low29.3Very low171 Ų171158.6 Ų158.688%0.87778%0.782SS**  trans-121144.2160.4-66179.4000108.4
791R27.3Very low29.5Very low227 Ų227159.8 Ų159.886%0.85778%0.777SS**  trans-112.8-178.4-178.6-85.5179.2160.7-172.3-5.1110.1
792L24.5Very low29.7Very low153 Ų153160.2 Ų160.280%0.80178%0.779SS**  trans94.2129.3-178-57.3160.9000111.7
793E27.4Very low29.8Very low172 Ų172154 Ų15480%0.80477%0.771SS**  cis-148.4-161.8-11.9-150.4156.8-154.400111.3
794K29Very low30Very low167 Ų167153 Ų15373%0.72677%0.77SS**  trans-59.4144-173.4-64.1-177.6174.2-1630113.1E796K794-E796 IonicContact NZ-OE2 3.69Å
795M29.7Very low29.8Very low157 Ų157147.4 Ų147.477%0.77377%0.77SS**  trans-147.6105.7136.7-137.2165.880.400111E797M795-E797 VanDerWaalsContact C-N 3.34Å; M795-E797 HydrophobicContact CE-CB 4.47Å; M795-E797 PolarHBondContact O-N 3.3Å
796E38.3Very low29.5Very low166 Ų166149.6 Ų149.678%0.77678%0.777SS**  trans-81.977.8170.7-68.6166.387.600108.7K794K794-E796 IonicContact NZ-OE2 3.69Å
797E34.4Very low29.3Very low106 Ų106145.2 Ų145.250%0.49577%0.767SS.*  trans-150.4165.8175.2-116.9-175.5155.100113.4M795 K801M795-E797 VanDerWaalsContact C-N 3.34Å; M795-E797 HydrophobicContact CE-CB 4.47Å; M795-E797 PolarHBondContact O-N 3.3Å; E797-K801 IonicContact OE1-NZ 2.72Å; E797-K801 PolarHBondContact OE1-NZ 2.89Å
798T30.9Very low29.3Very low126 Ų126146.8 Ų146.877%0.77377%0.767SS**SBendtrans73.346.1179.769.70000117.7
799T30.5Very low29.1Very low138 Ų138147.9 Ų147.985%0.84776%0.762SS**SBendtrans-152.9-20.2146.9-12.10000114.5
800N31.5Very low29.1Very low147 Ų147151.5 Ų151.579%0.78677%0.769SS**SBendtrans-81.4155154.6-67.6-21.4000109.4
801K28.7Very low29.2Very low148 Ų148150.5 Ų150.564%0.64376%0.758SS**  trans72.489.5-155-51163.9-179.31750110E797E797-K801 IonicContact OE1-NZ 2.72Å; E797-K801 PolarHBondContact OE1-NZ 2.89Å
802I28.8Very low29.5Very low179 Ų179144.1 Ų144.192%0.91875%0.754SS**SBend-118.260.958.1-41177.1000112.7
803S27.7Very low29.6Very low97 Ų97144.8 Ų144.868%0.67876%0.757SS**SBendtrans-143.9138.8163.8-68.40000108.7
804L30.3Very low30.1Very low128 Ų128148.4 Ų148.467%0.6776%0.764SS**  trans51.591.7-179.6-89.467.6000117.3E807L804-E807 HydrophobicContact CD2-CG 4.17Å
805A23.9Very low30.1Very low99 Ų99147 Ų14782%0.81877%0.769SS**SBend-149.9120.6127.900000106.7
806L24.8Very low30.1Very low153 Ų153148.4 Ų148.480%0.80177%0.774SS**  cis-124.5141.87.1-69.5127.4000111.3I808L806-I808 HydrophobicContact CB-CG1 4.32Å
807E29.5Very low30.1Very low157 Ų157146.2 Ų146.273%0.73477%0.774SS**  trans-80.5147.2139.7-67.7177.6136.900107.7L804L804-E807 HydrophobicContact CD2-CG 4.17Å
808I27.4Very low29.9Very low149 Ų149150.3 Ų150.376%0.76479%0.793SS**  trans-121.8132.5166.7-67.4-179.5000107L806 E810L806-I808 HydrophobicContact CB-CG1 4.32Å; I808-E810 PolarHBondContact O-N 2.82Å
809E27Very low30.2Very low145 Ų145149 Ų14968%0.67879%0.789SS**  trans-61.6132.8179.2-64.1-170.59800111.9K811E809-K811 PolarHBondContact O-N 3.35Å; E809-K811 IonicContact OE1-NZ 2.64Å; E809-K811 PolarHBondContact OE1-NZ 3.01Å; E809-K811 IonicContact OE2-NZ 3.05Å; E809-K811 PolarHBondContact OE2-NZ 2.92Å
810E33.2Very low30.9Very low197 Ų197148.8 Ų148.892%0.92179%0.79SS**  trans-79100165.1-171.3175.1-146.800109.9I808I808-E810 PolarHBondContact O-N 2.82Å
811K28.6Very low31.8Very low149 Ų149149.1 Ų149.165%0.64879%0.787SS**  trans-126.383.1172.8-88.7173.3-178.6147.40112.4E809E809-K811 PolarHBondContact O-N 3.35Å; E809-K811 IonicContact OE1-NZ 2.64Å; E809-K811 PolarHBondContact OE1-NZ 3.01Å; E809-K811 IonicContact OE2-NZ 3.05Å; E809-K811 PolarHBondContact OE2-NZ 2.92Å
812A33.2Very low33.3Very low94 Ų94148.2 Ų148.278%0.77779%0.789SS**  trans40.296.7147.700000118.3
813L27.5Very low34.7Very low167 Ų167142.1 Ų142.187%0.87476%0.762SS**  trans-124135.1142.9-141.778.7000109.1
814R36.5Very low36.1Very low248 Ų248149 Ų14994%0.93677%0.773SS**  trans-84.4120.3175.9-81.7-179.2168.7-176.5-3.1110.4
815T29.5Very low37.5Very low138 Ų138146.7 Ų146.785%0.84777%0.767SS**  trans-146.4159.3156.64.20000110.4
816Q30.9Very low39.2Very low185 Ų185144.2 Ų144.286%0.86474%0.74SS**  trans-88.3168.2-174.8-96.5-162.511.300112.7
817P36.6Very low41.1Very low121 Ų121143.2 Ų143.279%0.78673%0.734SS**  trans-77.3146.9-165.930.8-36.5000113.8
818E30.4Very low43.1Very low192 Ų192137 Ų13790%0.89771%0.708SS**  trans-122.5162.9169.1-68.6-165.3146.800112
819S38Very low45Very low99 Ų99134.3 Ų134.369%0.69269%0.692SS**PPolyproline II helixtrans-74.9156.9-165.453.40000115.4
820P44.4Very low46.9Very low133 Ų133130.4 Ų130.486%0.86468%0.676SS**PPolyproline II helixtrans-58.5142.8172.126-35.8000112.4
821Q51.2Low48.4Very low153 Ų153124.2 Ų124.272%0.71567%0.665SS**PPolyproline II helixtrans-103.9141.7179.1-66.6-177.3-5.800111.8
822D59Low50.4Low129 Ų129117.8 Ų117.869%0.6964%0.641SS**PPolyproline II helixtrans-89.1168.5-173.6-129.7-31.4000113.3R824 S825D822-R824 PolarHBondContact O-N 3.45Å; D822-S825 PolarHBondContact O-N 3.01Å; D822-S825 PolarHBondContact O-OG 3.46Å
823C58.6Low52.2Low52 Ų52117.4 Ų117.435%0.35163%0.629SS.*THydrogen-bonded Turntrans-61.314.2176.1-101.30000115.3C834C823-C834 HydrophobicContact CB-CB 4.02Å; C823-C834 WeakPolarHBondContact CB-SG 3.2Å; C823-C834 WeakPolarHBondContact SG-CB 3.38Å; C823-C834 CovalentContact SG-SG 2.05Å; C823-C834 PolarHBondContact SG-SG 2.89Å
824R58.2Low54.5Low242 Ų242111.4 Ų111.491%0.91360%0.601SS**THydrogen-bonded Turntrans-85-16173.7-76.9-178.1167.7178.1-3114.1D822D822-R824 PolarHBondContact O-N 3.45Å
825S59.1Low56.1Low78 Ų78102.5 Ų102.555%0.54557%0.574SS.*SBendtrans-93-26.7-177.458.60000114.5D822D822-S825 PolarHBondContact O-N 3.01Å; D822-S825 PolarHBondContact O-OG 3.46Å
826L59.4Low57.8Low48 Ų48101.2 Ų101.225%0.25156%0.562SS.*  trans-103.6107.2-177.2-163.478.6000111.5C828 I841L826-C828 PolarHBondContact O-N 2.83Å; L826-I841 HydrophobicContact CB-CG2 4.26Å; L826-I841 HydrophobicContact CD2-CB 4.38Å; L826-I841 HydrophobicContact CD2-CG2 3.79Å
827I65.9Low58.8Low132 Ų13297.8 Ų97.868%0.67755%0.546SS*.  trans-87.4111.3178.3-56.6176.7000109.9
828C70.1Confident59.3Low26 Ų26103.2 Ų103.218%0.17655%0.551CS.*  trans-76.3137.4169.8-56.10000110.8L826 G832 C843L826-C828 PolarHBondContact O-N 2.83Å; C828-G832 VanDerWaalsContact CB-O 3.26Å; C828-G832 WeakPolarHBondContact CB-O 3.13Å; C828-C843 WeakPolarHBondContact CA-SG 3.23Å; C828-C843 HydrophobicContact CB-CB 3.72Å; C828-C843 WeakPolarHBondContact CB-SG 3.01Å; C828-C843 VanDerWaalsContact SG-CA 3.56Å; C828-C843 WeakPolarHBondContact SG-CB 3.35Å; C828-C843 CovalentContact SG-SG 2.03Å; C828-C843 PolarHBondContact SG-SG 2.9Å
829Q68.7Low60.7Low93 Ų9397.7 Ų97.744%0.43555%0.545SS..  trans-102.9173.8-177.3-52.6-174.328.600111.1G831 G832 Q853 C854Q829-G831 PolarHBondContact O-N 2.89Å; Q829-G832 PolarHBondContact O-N 3.22Å; Q829-Q853 WeakPolarHBondContact CB-O 3.07Å; Q829-Q853 PolarHBondContact N-O 3.04Å; Q829-C854 WeakPolarHBondContact O-CB 3.23Å
830N65.4Low61.5Low62 Ų6296 Ų9633%0.33253%0.533SS..THydrogen-bonded Turntrans50.135.8171.1-58.4-38.1000115.4F849 C854N830-F849 HydrophobicContact CB-CD1 3.88Å; N830-F849 HydrophobicContact CB-CD2 4.39Å; N830-F849 HydrophobicContact CB-CE1 3.99Å; N830-F849 HydrophobicContact CB-CG 4.08Å; N830-F849 HydrophobicContact CB-CZ 4.31Å; N830-C854 PolarHBondContact ND2-O 2.96Å
831G65.5Low62.5Low68 Ų6892.1 Ų92.170%0.70151%0.505SS*.THydrogen-bonded Turntrans79.39.9178.700000115.4Q829Q829-G831 PolarHBondContact O-N 2.89Å
832G71.3Confident63.4Low14 Ų1487.6 Ų87.614%0.14449%0.488CS..  trans-72.6153.4174.500000113.8C828 Q829 S844C828-G832 VanDerWaalsContact CB-O 3.26Å; C828-G832 WeakPolarHBondContact CB-O 3.13Å; Q829-G832 PolarHBondContact O-N 3.22Å; G832-S844 CarbonylContact C-O 3.59Å; G832-S844 WeakPolarHBondContact CA-O 3.24Å
833T71.1Confident64.2Low85 Ų8581.8 Ų81.852%0.52146%0.457SS..EExtended strand (participates in β ladder)trans-111.5139.3-178.349.50000112.4V835 C843 S844T833-V835 PolarHBondContact O-N 2.95Å; T833-C843 WeakPolarHBondContact O-CA 3.43Å; T833-S844 PolarHBondContact N-O 3.17Å; T833-S844 PolarHBondContact O-N 2.92Å
834C74.2Confident65.1Low41 Ų4182.4 Ų82.428%0.27746%0.462SS..EExtended strand (participates in β ladder)trans-71.2119.4176.2-164.60000109.6C823 I841C823-C834 HydrophobicContact CB-CB 4.02Å; C823-C834 WeakPolarHBondContact CB-SG 3.2Å; C823-C834 WeakPolarHBondContact SG-CB 3.38Å; C823-C834 CovalentContact SG-SG 2.05Å; C823-C834 PolarHBondContact SG-SG 2.89Å; C834-I841 WeakPolarHBondContact SG-CG2 3.4Å
835V70.1Confident66Low62 Ų6272.8 Ų72.838%0.37643%0.431SS..EExtended strand (participates in β ladder)trans-129146.7174.8-69.90000110.3T833 V842T833-V835 PolarHBondContact O-N 2.95Å; V835-V842 VanDerWaalsContact CG2-O 3.26Å; V835-V842 WeakPolarHBondContact CG2-O 3.25Å; V835-V842 PolarHBondContact N-O 3.01Å; V835-V842 PolarHBondContact O-N 2.99Å
836N65.1Low66.4Low111 Ų11171 Ų7159%0.59442%0.422SS*.EExtended strand (participates in β ladder)trans-108.5101.7-175.4-171.5-9.3000109.4
837E52.4Low67Low113 Ų11375.8 Ų75.853%0.52845%0.453SS..EExtended strand (participates in β ladder)trans-107.2120.9176.6-74.7-152.4140.400110.6G839 S840E837-G839 PolarHBondContact O-N 2.64Å; E837-G839 VanDerWaalsContact O-N 3.12Å; E837-S840 PolarHBondContact N-O 3.08Å; E837-S840 PolarHBondContact O-N 3.23Å; E837-S840 VanDerWaalsContact O-O 3.07Å; E837-S840 PolarHBondContact O-OG 2.86Å
838R47.2Very low67.1Low235 Ų23571.2 Ų71.289%0.88744%0.438SS*.THydrogen-bonded Turntrans49.639.7172-75.9175.7-83.8-135.1-8.7114.3S840R838-S840 VanDerWaalsContact C-N 3.28Å; R838-S840 PolarHBondContact O-N 3.25Å
839G59.3Low67.3Low76 Ų7672.6 Ų72.678%0.78444%0.442SS*.THydrogen-bonded Turntrans80.25.4178.200000114.6E837E837-G839 PolarHBondContact O-N 2.64Å; E837-G839 VanDerWaalsContact O-N 3.12Å
840S55.8Low67.4Low63 Ų6373.1 Ų73.144%0.44144%0.442SS..EExtended strand (participates in β ladder)trans-112.2131.2170.367.50000110.4E837 R838E837-S840 PolarHBondContact N-O 3.08Å; E837-S840 PolarHBondContact O-N 3.23Å; E837-S840 VanDerWaalsContact O-O 3.07Å; E837-S840 PolarHBondContact O-OG 2.86Å; R838-S840 VanDerWaalsContact C-N 3.28Å; R838-S840 PolarHBondContact O-N 3.25Å
841I64.9Low67.7Low51 Ų5171.8 Ų71.826%0.26244%0.443SS..EExtended strand (participates in β ladder)trans-86.6121.4178.2-56.8179.4000108.3L826 C834L826-I841 HydrophobicContact CB-CG2 4.26Å; L826-I841 HydrophobicContact CD2-CB 4.38Å; L826-I841 HydrophobicContact CD2-CG2 3.79Å; C834-I841 WeakPolarHBondContact SG-CG2 3.4Å
842V70.5Confident68Low59 Ų5977.5 Ų77.536%0.35844%0.443SS..EExtended strand (participates in β ladder)trans-131.6143-173.9-175.80000109.8V835V835-V842 VanDerWaalsContact CG2-O 3.26Å; V835-V842 WeakPolarHBondContact CG2-O 3.25Å; V835-V842 PolarHBondContact N-O 3.01Å; V835-V842 PolarHBondContact O-N 2.99Å
843C76Confident68.1Low7 Ų779.1 Ų79.15%0.04745%0.447CS..EExtended strand (participates in β ladder)trans-86.6122.8173.8-65.30000111.2C828 T833 R852C828-C843 WeakPolarHBondContact CA-SG 3.23Å; C828-C843 HydrophobicContact CB-CB 3.72Å; C828-C843 WeakPolarHBondContact CB-SG 3.01Å; C828-C843 VanDerWaalsContact SG-CA 3.56Å; C828-C843 WeakPolarHBondContact SG-CB 3.35Å; C828-C843 CovalentContact SG-SG 2.03Å; C828-C843 PolarHBondContact SG-SG 2.9Å; T833-C843 WeakPolarHBondContact O-CA 3.43Å; C843-R852 WeakPolarHBondContact CB-O 3.32Å
844S76.1Confident68.4Low64 Ų6475 Ų7545%0.44842%0.422SS..EExtended strand (participates in β ladder)trans-84127169.1-173.30000109.7G832 T833G832-S844 CarbonylContact C-O 3.59Å; G832-S844 WeakPolarHBondContact CA-O 3.24Å; T833-S844 PolarHBondContact N-O 3.17Å; T833-S844 PolarHBondContact O-N 2.92Å
845C77.9Confident68.4Low41 Ų4175.5 Ų75.528%0.27742%0.42SS..  trans-104.3144.8-165.2-56.30000114.3F849 C854C845-F849 HydrophobicContact CB-CB 4.35Å; C845-F849 VanDerWaalsContact CB-O 3.29Å; C845-F849 WeakPolarHBondContact CB-O 3.41Å; C845-C854 WeakPolarHBondContact CA-SG 3.36Å; C845-C854 HydrophobicContact CB-CB 3.72Å; C845-C854 WeakPolarHBondContact CB-SG 3.44Å; C845-C854 WeakPolarHBondContact SG-CA 3.41Å; C845-C854 WeakPolarHBondContact SG-CB 3.45Å; C845-C854 CovalentContact SG-SG 2.04Å; C845-C854 PolarHBondContact SG-SG 2.85Å
846A68.1Low68.7Low41 Ų4175.1 Ų75.134%0.33942%0.416SS..  trans-63.7153.4173.600000112.1G848 F849A846-G848 PolarHBondContact O-N 3.08Å; A846-F849 PolarHBondContact O-N 2.85Å
847T71.1Confident69.2Low147 Ų14773.1 Ų73.190%0.90241%0.405SS*.THydrogen-bonded Turntrans-55.9120-176.8490000112
848G68.4Low70.2Confident37 Ų3768.4 Ų68.438%0.38138%0.384SS..THydrogen-bonded Turntrans104.5-12.6-174.800000114A846 C858A846-G848 PolarHBondContact O-N 3.08Å; G848-C858 PolarHBondContact O-N 2.74Å
849F74.3Confident71Confident55 Ų5563.4 Ų63.424%0.24137%0.371CS..EExtended strand (participates in β ladder)trans-113.4147.4178-62.7-89.3000112.8N830 C845 A846 C854 L856 L857 V906N830-F849 HydrophobicContact CB-CD1 3.88Å; N830-F849 HydrophobicContact CB-CD2 4.39Å; N830-F849 HydrophobicContact CB-CE1 3.99Å; N830-F849 HydrophobicContact CB-CG 4.08Å; N830-F849 HydrophobicContact CB-CZ 4.31Å; C845-F849 HydrophobicContact CB-CB 4.35Å; C845-F849 VanDerWaalsContact CB-O 3.29Å; C845-F849 WeakPolarHBondContact CB-O 3.41Å; A846-F849 PolarHBondContact O-N 2.85Å; F849-C854 HydrophobicContact CB-CB 4.43Å; F849-L856 CarbonylContact C-O 3.6Å; F849-L856 WeakPolarHBondContact CA-O 3.37Å; F849-L857 HydrophobicContact CD1-CB 4.25Å; F849-L857 HydrophobicContact CD1-CD1 4.18Å; F849-L857 HydrophobicContact CE1-CB 4.02Å; F849-L857 HydrophobicContact CE1-CD1 3.7Å; F849-L857 HydrophobicContact CE1-CG 4.43Å; F849-L857 HydrophobicContact CE2-CD1 4.22Å; F849-L857 HydrophobicContact CZ-CD1 3.73Å; F849-V906 HydrophobicContact CD1-CG2 4.44Å; F849-V906 HydrophobicContact CE1-CG2 4.01Å
850K71.2Confident71.2Confident104 Ų10468.6 Ų68.645%0.45237%0.367SS..EExtended strand (participates in β ladder)trans-144.6171.9176.6-64.7-173.8177.8173.20110.6C854 E855 L856 E901K850-C854 CarbonylContact O-C 3.22Å; K850-E855 PolarHBondContact O-N 3.5Å; K850-L856 PolarHBondContact N-O 2.94Å; K850-L856 WeakPolarHBondContact O-CA 3.38Å; K850-L856 VanDerWaalsContact O-CB 3.29Å; K850-L856 WeakPolarHBondContact O-CB 3.5Å; K850-L856 PolarHBondContact O-N 3.39Å; K850-E901 IonicContact NZ-OE2 3.55Å; K850-E901 PolarHBondContact NZ-OE2 3.42Å
851G71.3Confident71.7Confident33 Ų3368.5 Ų68.534%0.3436%0.364SS..SBendtrans110.6166.1-176.100000112.1Q853 C854 E855G851-Q853 PolarHBondContact O-N 3.14Å; G851-C854 PolarHBondContact O-N 3.39Å; G851-E855 WeakPolarHBondContact CA-OE2 3.45Å
852R71.8Confident71.1Confident188 Ų18869.8 Ų69.871%0.70938%0.375SS*.THydrogen-bonded Turntrans-68.4-20-172.360.7170.4-173.21785.6114C843 E855C843-R852 WeakPolarHBondContact CB-O 3.32Å; R852-E855 VanDerWaalsContact CG-OE1 3.29Å; R852-E855 WeakPolarHBondContact CG-OE1 3.04Å; R852-E855 PolarHBondContact N-OE2 3.09Å
853Q72.8Confident70.4Confident48 Ų4871.6 Ų71.622%0.22438%0.38CS..THydrogen-bonded Turntrans-126.516.8175-72.4177.7-12.900111.4Q829 G851 E855Q829-Q853 WeakPolarHBondContact CB-O 3.07Å; Q829-Q853 PolarHBondContact N-O 3.04Å; G851-Q853 PolarHBondContact O-N 3.14Å; Q853-E855 VanDerWaalsContact C-N 3.35Å; Q853-E855 WeakPolarHBondContact CA-OE2 3.44Å; Q853-E855 PolarHBondContact N-OE2 3.39Å
854C78.2Confident69.2Low0 Ų076.2 Ų76.20%041%0.409CS..SBendtrans63.734.1-175.7-47.40000114.4Q829 N830 C845 F849 K850 G851Q829-C854 WeakPolarHBondContact O-CB 3.23Å; N830-C854 PolarHBondContact ND2-O 2.96Å; C845-C854 WeakPolarHBondContact CA-SG 3.36Å; C845-C854 HydrophobicContact CB-CB 3.72Å; C845-C854 WeakPolarHBondContact CB-SG 3.44Å; C845-C854 WeakPolarHBondContact SG-CA 3.41Å; C845-C854 WeakPolarHBondContact SG-CB 3.45Å; C845-C854 CovalentContact SG-SG 2.04Å; C845-C854 PolarHBondContact SG-SG 2.85Å; F849-C854 HydrophobicContact CB-CB 4.43Å; K850-C854 CarbonylContact O-C 3.22Å; G851-C854 PolarHBondContact O-N 3.39Å
855E73.6Confident68.2Low50 Ų5074.8 Ų74.823%0.23440%0.399CS..  trans-82.5-10.5-172.266.9-90.3-133.300115.6K850 G851 R852 Q853 V906K850-E855 PolarHBondContact O-N 3.5Å; G851-E855 WeakPolarHBondContact CA-OE2 3.45Å; R852-E855 VanDerWaalsContact CG-OE1 3.29Å; R852-E855 WeakPolarHBondContact CG-OE1 3.04Å; R852-E855 PolarHBondContact N-OE2 3.09Å; Q853-E855 VanDerWaalsContact C-N 3.35Å; Q853-E855 WeakPolarHBondContact CA-OE2 3.44Å; Q853-E855 PolarHBondContact N-OE2 3.39Å; E855-V906 PolarHBondContact O-N 3.44Å
856L76.3Confident66.8Low54 Ų5477.4 Ų77.428%0.28341%0.414SS..EExtended strand (participates in β ladder)trans-108.5133.8-179.3-45.9178.3000111.2F849 K850 C903 E904 P905F849-L856 CarbonylContact C-O 3.6Å; F849-L856 WeakPolarHBondContact CA-O 3.37Å; K850-L856 PolarHBondContact N-O 2.94Å; K850-L856 WeakPolarHBondContact O-CA 3.38Å; K850-L856 VanDerWaalsContact O-CB 3.29Å; K850-L856 WeakPolarHBondContact O-CB 3.5Å; K850-L856 PolarHBondContact O-N 3.39Å; L856-C903 HydrophobicContact CB-CB 4.36Å; L856-E904 CarbonylContact C-O 3.52Å; L856-E904 WeakPolarHBondContact CA-O 3.47Å; L856-P905 HydrophobicContact CD2-CB 3.84Å
857L75.8Confident65.6Low69 Ų6981.9 Ų81.936%0.36142%0.422SS..EExtended strand (participates in β ladder)trans-93.4128.7168.2177.570.1000109.4F849 C903 E904 V906F849-L857 HydrophobicContact CD1-CB 4.25Å; F849-L857 HydrophobicContact CD1-CD1 4.18Å; F849-L857 HydrophobicContact CE1-CB 4.02Å; F849-L857 HydrophobicContact CE1-CD1 3.7Å; F849-L857 HydrophobicContact CE1-CG 4.43Å; F849-L857 HydrophobicContact CE2-CD1 4.22Å; F849-L857 HydrophobicContact CZ-CD1 3.73Å; L857-C903 CarbonylContact O-C 3.56Å; L857-C903 VanDerWaalsContact O-CA 3.26Å; L857-C903 WeakPolarHBondContact O-CA 3.46Å; L857-E904 PolarHBondContact N-O 2.9Å; L857-E904 PolarHBondContact O-N 2.87Å; L857-V906 HydrophobicContact CB-CG2 4.11Å
858C73.9Confident64Low15 Ų1580.1 Ų80.110%0.10141%0.407CS..EExtended strand (participates in β ladder)trans-117.8129-175.9-62.70000112.3G848 I902 C903G848-C858 PolarHBondContact O-N 2.74Å; C858-I902 CarbonylContact C-O 3.56Å; C858-I902 VanDerWaalsContact CA-O 3.31Å; C858-I902 WeakPolarHBondContact CA-O 3.45Å; C858-C903 HydrophobicContact CB-CB 4.11Å; C858-C903 WeakPolarHBondContact CB-SG 3.33Å; C858-C903 WeakPolarHBondContact SG-CB 3.42Å; C858-C903 CovalentContact SG-SG 2.04Å; C858-C903 PolarHBondContact SG-SG 2.95Å
859Q64.2Low62.7Low130 Ų13082.9 Ų82.961%0.60741%0.406SS*.EExtended strand (participates in β ladder)trans-122.8146.6177-63.8-172.90.200111.6E901 I902Q859-E901 CarbonylContact O-C 3.54Å; Q859-E901 WeakPolarHBondContact O-CA 3.32Å; Q859-I902 PolarHBondContact N-O 3.37Å; Q859-I902 PolarHBondContact O-N 2.61Å
860R63.3Low61Low185 Ų18582.5 Ų82.570%0.69841%0.41SS*.EExtended strand (participates in β ladder)trans-91.9119.8173.5-73.8-176.4173.9-169.8-4.6110.3E901R860-E901 HydrophobicContact CG-CB 4.46Å; R860-E901 HydrophobicContact CG-CG 3.86Å; R860-E901 WeakPolarHBondContact CG-OE1 3.17Å; R860-E901 IonicContact CZ-OE1 2.82Å; R860-E901 IonicContact NE-OE1 3.61Å; R860-E901 PolarHBondContact NE-OE1 3.26Å; R860-E901 IonicContact NH2-OE1 3.64Å; R860-E901 PolarHBondContact NH2-OE1 3.42Å
861V65.5Low59.4Low61 Ų6181.6 Ų81.637%0.3741%0.408SS..EExtended strand (participates in β ladder)trans-113.3130.8-179.4-171.80000109Y899 R900 I902V861-Y899 WeakPolarHBondContact O-CA 3.24Å; V861-R900 PolarHBondContact N-O 2.04Å; V861-R900 PolarHBondContact O-N 2.65Å; V861-I902 HydrophobicContact CB-CD1 4.32Å; V861-I902 HydrophobicContact CG2-CD1 3.93Å; V861-I902 HydrophobicContact CG2-CG1 4.29Å
862P53.1Low57.7Low78 Ų7883.5 Ų83.551%0.50641%0.413SS..EExtended strand (participates in β ladder)trans-61.7144176.524.5-33.1000111.7V897 C898 Y899P862-V897 HydrophobicContact CB-CG1 3.49Å; P862-V897 VanDerWaalsContact CB-CG1 3.49Å; P862-C898 CarbonylContact C-O 3.39Å; P862-C898 WeakPolarHBondContact CA-O 3.22Å; P862-Y899 HydrophobicContact CB-CD1 4.12Å; P862-Y899 HydrophobicContact CB-CE1 3.88Å; P862-Y899 HydrophobicContact CG-CE1 4.49Å
863H55.6Low56Low97 Ų9781.5 Ų81.545%0.44941%0.409SS..EExtended strand (participates in β ladder)trans-144.4126.8-179.7-168.673000109.6C865 C898 R900H863-C865 PolarHBondContact O-N 3.2Å; H863-C898 PolarHBondContact N-O 3.49Å; H863-C898 CarbonylContact O-C 3.53Å; H863-C898 WeakPolarHBondContact O-CA 3.4Å; H863-C898 PolarHBondContact O-N 3.08Å; H863-C898 VanDerWaalsContact O-O 3.08Å; H863-R900 HydrophobicContact CB-CB 4.34Å
864P50.5Low54.4Low103 Ų10382.1 Ų82.167%0.66942%0.419SS*.EExtended strand (participates in β ladder)trans-65.5137.4-177.227.9-34.8000111
865C55.6Low52.6Low34 Ų3486.2 Ų86.223%0.2344%0.44CS..EExtended strand (participates in β ladder)trans-138.616217659.90000109.9H863 D896 C898H863-C865 PolarHBondContact O-N 3.2Å; C865-D896 PolarHBondContact N-O 3.39Å; C865-D896 PolarHBondContact O-N 2.91Å; C865-C898 HydrophobicContact CB-CB 3.82Å; C865-C898 WeakPolarHBondContact CB-SG 3.1Å; C865-C898 WeakPolarHBondContact SG-CB 3.42Å; C865-C898 PolarHBondContact SG-N 3.38Å; C865-C898 CovalentContact SG-SG 2.04Å; C865-C898 PolarHBondContact SG-SG 3.17Å
866T48Very low50.9Low96 Ų9687.8 Ų87.859%0.58945%0.454SS*.EExtended strand (participates in β ladder)trans-112.3117.7-179.35.90000110.4V893 Q894 Q895T866-V893 HydrophobicContact CG2-CG1 3.53Å; T866-Q894 CarbonylContact C-O 3.59Å; T866-Q894 WeakPolarHBondContact CA-O 3.12Å; T866-Q895 HydrophobicContact CG2-CG 3.97Å
867R42.8Very low49.3Very low135 Ų13587.7 Ų87.751%0.50946%0.456SS..EExtended strand (participates in β ladder)trans-96.9131.9178.1-166.8161.2179.71650.4109.7Y869 Q894 D896R867-Y869 HydrophobicContact CB-CE2 4.22Å; R867-Y869 VanDerWaalsContact CD-OH 3.3Å; R867-Y869 WeakPolarHBondContact CD-OH 2.99Å; R867-Y869 HydrophobicContact CG-CE1 4.36Å; R867-Y869 HydrophobicContact CG-CE2 3.9Å; R867-Y869 PolarHBondContact NE-OH 3.22Å; R867-Q894 PolarHBondContact N-O 2.95Å; R867-Q894 PolarHBondContact O-N 2.8Å; R867-D896 HydrophobicContact CB-CB 4.15Å; R867-D896 VanDerWaalsContact CD-OD2 3.28Å; R867-D896 WeakPolarHBondContact CD-OD2 3.06Å; R867-D896 IonicContact NH1-OD2 3.91Å
868L37.4Very low47.8Very low111 Ų11190.5 Ų90.558%0.58146%0.462SS*.EExtended strand (participates in β ladder)trans-116.6115.6-170.8-158.6152.4000109.3Y891 V893L868-Y891 HydrophobicContact CD2-CD1 3.77Å; L868-Y891 HydrophobicContact CD2-CG 4.38Å; L868-V893 HydrophobicContact CD1-CG2 4.01Å; L868-V893 HydrophobicContact CG-CG2 4.1Å
869Y41Very low46.1Very low95 Ų9595.5 Ų95.537%0.37349%0.487SS..EExtended strand (participates in β ladder)trans-105.1146.1-178.1-62.6-81.8000109.9R867 Y891 K892 Q894R867-Y869 HydrophobicContact CB-CE2 4.22Å; R867-Y869 VanDerWaalsContact CD-OH 3.3Å; R867-Y869 WeakPolarHBondContact CD-OH 2.99Å; R867-Y869 HydrophobicContact CG-CE1 4.36Å; R867-Y869 HydrophobicContact CG-CE2 3.9Å; R867-Y869 PolarHBondContact NE-OH 3.22Å; Y869-Y891 CarbonylContact O-C 3.59Å; Y869-Y891 VanDerWaalsContact O-CA 3.32Å; Y869-Y891 WeakPolarHBondContact O-CA 3.36Å; Y869-K892 PolarHBondContact N-O 3.28Å; Y869-K892 PolarHBondContact O-N 2.02Å; Y869-Q894 HydrophobicContact CD2-CB 4.44Å; Y869-Q894 HydrophobicContact CE2-CB 4.15Å
870S38.6Very low45Very low47 Ų4793 Ų9333%0.32950%0.497SS..EExtended strand (participates in β ladder)trans-123.3110.4173.178.90000110.9R889 Y891S870-R889 PolarHBondContact OG-NE 2.79Å; S870-R889 VanDerWaalsContact OG-NE 3.13Å; S870-R889 PolarHBondContact OG-NH2 2.9Å; S870-Y891 VanDerWaalsContact CB-CD1 3.47Å; S870-Y891 VanDerWaalsContact CB-CE1 3.45Å
871E37.3Very low44.1Very low85 Ų8587 Ų8740%0.39749%0.492SS..EExtended strand (participates in β ladder)trans-85138.5167.4-75.9161.6-148.600108.8R889 T890 K892E871-R889 CarbonylContact O-C 3.57Å; E871-R889 WeakPolarHBondContact O-CA 3.18Å; E871-T890 PolarHBondContact N-O 3.06Å; E871-T890 PolarHBondContact O-N 3.47Å; E871-T890 PolarHBondContact O-OG1 3.48Å; E871-K892 WeakPolarHBondContact OE1-CD 3.29Å; E871-K892 VanDerWaalsContact OE1-CE 3.28Å; E871-K892 WeakPolarHBondContact OE1-CE 3.32Å; E871-K892 IonicContact OE1-NZ 2.77Å; E871-K892 PolarHBondContact OE1-NZ 3.35Å; E871-K892 VanDerWaalsContact OE2-CE 3.24Å; E871-K892 WeakPolarHBondContact OE2-CE 3.34Å; E871-K892 IonicContact OE2-NZ 2.66Å; E871-K892 PolarHBondContact OE2-NZ 3.25Å
872T37.2Very low42.7Very low73 Ų7387 Ų8745%0.44849%0.492SS..EExtended strand (participates in β ladder)trans-125.5123.7173.7-46.40000108.1K888 R889T872-K888 WeakPolarHBondContact CA-O 3.43Å; T872-R889 HydrophobicContact CG2-CB 4.19Å; T872-R889 HydrophobicContact CG2-CG 4.47Å; T872-R889 WeakPolarHBondContact OG1-CD 3.31Å; T872-R889 WeakPolarHBondContact OG1-CG 3.43Å
873K36Very low42Very low146 Ų14684.7 Ų84.764%0.63548%0.478SS*.EExtended strand (participates in β ladder)trans-113.5127.5172.1-68.1-164.5173.1-162.80109.5K888K873-K888 PolarHBondContact N-O 2.88Å; K873-K888 PolarHBondContact O-N 3.36Å
874S39.7Very low41.5Very low61 Ų6185 Ų8543%0.42748%0.479SS..EExtended strand (participates in β ladder)trans-76.914716135.20000109.6Q886S874-Q886 CarbonylContact C-O 3.56Å
875I39.6Very low41.1Very low86 Ų8683.5 Ų83.544%0.44146%0.461SS..EExtended strand (participates in β ladder)trans-134.5122.9169.5-57.3176.4000106.3V877 Q886I875-V877 HydrophobicContact CG2-CG2 4.47Å; I875-Q886 PolarHBondContact N-O 3.26Å; I875-Q886 PolarHBondContact O-N 3.47Å
876P38.4Very low40.3Very low83 Ų8388.2 Ų88.254%0.53948%0.479SS..EExtended strand (participates in β ladder)trans-70.7132.117229.7-32.8000109.6H884P876-H884 CarbonylContact C-O 3.46Å; P876-H884 WeakPolarHBondContact CA-O 3.38Å
877V42.8Very low40Very low52 Ų5291 Ų9132%0.31548%0.48SS..EExtended strand (participates in β ladder)trans-127.9122.7178.8-179.30000107.5I875 H884 Q886I875-V877 HydrophobicContact CG2-CG2 4.47Å; V877-H884 PolarHBondContact N-O 2.87Å; V877-H884 PolarHBondContact O-N 2.82Å; V877-Q886 HydrophobicContact CG2-CB 3.99Å
878W42.4Very low39.8Very low128 Ų12891.2 Ų91.249%0.48549%0.485SS..EExtended strand (participates in β ladder)trans-83.4124.5171.2-8489.2000109.7T73 C883T73-W878 HydrophobicContact CG2-CZ2 4.44Å; W878-C883 HydrophobicContact CD2-CB 4.34Å; W878-C883 HydrophobicContact CZ2-CB 4.19Å
879D39.8Very low39.9Very low119 Ų11992.6 Ų92.664%0.63648%0.482SS*.EExtended strand (participates in β ladder)trans-143.3142.3173.5-167.95.3000109.3G881 V882D879-G881 PolarHBondContact O-N 2.84Å; D879-V882 PolarHBondContact N-O 3.36Å; D879-V882 VanDerWaalsContact N-O 3.15Å; D879-V882 PolarHBondContact O-N 2.88Å
880G40.4Very low39.8Very low79 Ų7990.9 Ų90.981%0.81448%0.482SS*.THydrogen-bonded Turntrans5612.8178.100000117.5
881G45.4Very low40Very low58 Ų5895.5 Ų95.560%0.59849%0.493SS*.THydrogen-bonded Turntrans84.713-171.800000114.8D879D879-G881 PolarHBondContact O-N 2.84Å
882V35.6Very low40.2Very low61 Ų6196.5 Ų96.537%0.3750%0.496SS..EExtended strand (participates in β ladder)trans-122.2140.1174.7-179.10000109.5D879 H884D879-V882 PolarHBondContact N-O 3.36Å; D879-V882 VanDerWaalsContact N-O 3.15Å; D879-V882 PolarHBondContact O-N 2.88Å; V882-H884 PolarHBondContact O-CD2 3.22Å
883C38.8Very low40.5Very low30 Ų3097.8 Ų97.820%0.20350%0.503CS..EExtended strand (participates in β ladder)trans-84.8119.1175.1-166.90000110.3W878W878-C883 HydrophobicContact CD2-CB 4.34Å; W878-C883 HydrophobicContact CZ2-CB 4.19Å
884H43.3Very low40.7Very low102 Ų10296.3 Ų96.347%0.47250%0.499SS..EExtended strand (participates in β ladder)trans-114.9147.8179.2-67.4-74.5000111.1P876 V877 V882P876-H884 CarbonylContact C-O 3.46Å; P876-H884 WeakPolarHBondContact CA-O 3.38Å; V877-H884 PolarHBondContact N-O 2.87Å; V877-H884 PolarHBondContact O-N 2.82Å; V882-H884 PolarHBondContact O-CD2 3.22Å
885Y42.5Very low41Very low72 Ų72101.8 Ų101.828%0.28252%0.518SS..EExtended strand (participates in β ladder)trans-104.1117.6179-70.7-103.3000110.5D56 Y887D56-Y885 WeakPolarHBondContact OD2-CE1 3.35Å; D56-Y885 PolarHBondContact OD2-OH 3.37Å; Y885-Y887 WeakPolarHBondContact O-CD2 3.33Å; Y885-Y887 VanDerWaalsContact O-CE2 3.32Å; Y885-Y887 WeakPolarHBondContact O-CE2 3.42Å
886Q39.4Very low41.6Very low134 Ų134100.7 Ų100.763%0.62651%0.513SS*.EExtended strand (participates in β ladder)trans-99.8120.3179-144.2-178.879.800110S874 I875 V877S874-Q886 CarbonylContact C-O 3.56Å; I875-Q886 PolarHBondContact N-O 3.26Å; I875-Q886 PolarHBondContact O-N 3.47Å; V877-Q886 HydrophobicContact CG2-CB 3.99Å
887Y42.3Very low42.4Very low155 Ų155100.5 Ų100.561%0.60851%0.51SS*.EExtended strand (participates in β ladder)trans-101.8109.7-172.1-62.9-90.8000111.6Y885Y885-Y887 WeakPolarHBondContact O-CD2 3.33Å; Y885-Y887 VanDerWaalsContact O-CE2 3.32Å; Y885-Y887 WeakPolarHBondContact O-CE2 3.42Å
888K38Very low43.1Very low138 Ų138101 Ų10160%0.652%0.515SS*.EExtended strand (participates in β ladder)trans-98.5112177.7-172.1172.5-177.9175.30110.2T872 K873T872-K888 WeakPolarHBondContact CA-O 3.43Å; K873-K888 PolarHBondContact N-O 2.88Å; K873-K888 PolarHBondContact O-N 3.36Å
889R39.6Very low44Very low141 Ų141102.4 Ų102.453%0.53252%0.521SS..EExtended strand (participates in β ladder)trans-102.8115.2177.8-166.9163.1-174.4-177.92.6111.2S870 E871 T872 Y891S870-R889 PolarHBondContact OG-NE 2.79Å; S870-R889 VanDerWaalsContact OG-NE 3.13Å; S870-R889 PolarHBondContact OG-NH2 2.9Å; E871-R889 CarbonylContact O-C 3.57Å; E871-R889 WeakPolarHBondContact O-CA 3.18Å; T872-R889 HydrophobicContact CG2-CB 4.19Å; T872-R889 HydrophobicContact CG2-CG 4.47Å; T872-R889 WeakPolarHBondContact OG1-CD 3.31Å; T872-R889 WeakPolarHBondContact OG1-CG 3.43Å; R889-Y891 WeakPolarHBondContact CD-OH 3.34Å; R889-Y891 HydrophobicContact CG-CE1 4.48Å; R889-Y891 HydrophobicContact CG-CE2 4.19Å
890T39.8Very low45Very low59 Ų59103.9 Ų103.936%0.36252%0.518SS..EExtended strand (participates in β ladder)trans-108.3124.4179.739.70000110.8E871E871-T890 PolarHBondContact N-O 3.06Å; E871-T890 PolarHBondContact O-N 3.47Å; E871-T890 PolarHBondContact O-OG1 3.48Å
891Y42.7Very low46.3Very low144 Ų144103.7 Ų103.757%0.56550%0.496SS*.EExtended strand (participates in β ladder)trans-95.2126.1177.3-60.5-85.5000110.1L868 Y869 S870 R889L868-Y891 HydrophobicContact CD2-CD1 3.77Å; L868-Y891 HydrophobicContact CD2-CG 4.38Å; Y869-Y891 CarbonylContact O-C 3.59Å; Y869-Y891 VanDerWaalsContact O-CA 3.32Å; Y869-Y891 WeakPolarHBondContact O-CA 3.36Å; S870-Y891 VanDerWaalsContact CB-CD1 3.47Å; S870-Y891 VanDerWaalsContact CB-CE1 3.45Å; R889-Y891 WeakPolarHBondContact CD-OH 3.34Å; R889-Y891 HydrophobicContact CG-CE1 4.48Å; R889-Y891 HydrophobicContact CG-CE2 4.19Å
892K41.2Very low47.6Very low106 Ų106103.9 Ų103.946%0.46148%0.482SS..EExtended strand (participates in β ladder)trans-111.4138.6175.2-65-179.5-174.5168.40109.1Y869 E871Y869-K892 PolarHBondContact N-O 3.28Å; Y869-K892 PolarHBondContact O-N 2.02Å; E871-K892 WeakPolarHBondContact OE1-CD 3.29Å; E871-K892 VanDerWaalsContact OE1-CE 3.28Å; E871-K892 WeakPolarHBondContact OE1-CE 3.32Å; E871-K892 IonicContact OE1-NZ 2.77Å; E871-K892 PolarHBondContact OE1-NZ 3.35Å; E871-K892 VanDerWaalsContact OE2-CE 3.24Å; E871-K892 WeakPolarHBondContact OE2-CE 3.34Å; E871-K892 IonicContact OE2-NZ 2.66Å; E871-K892 PolarHBondContact OE2-NZ 3.25Å
893V42.4Very low49.3Very low99 Ų99103.6 Ų103.660%0.648%0.482SS*.EExtended strand (participates in β ladder)trans-112.3125.2178.8-178.20000108.1T866 L868T866-V893 HydrophobicContact CG2-CG1 3.53Å; L868-V893 HydrophobicContact CD1-CG2 4.01Å; L868-V893 HydrophobicContact CG-CG2 4.1Å
894Q41Very low50.9Low115 Ų115108.7 Ų108.754%0.53750%0.503SS..EExtended strand (participates in β ladder)trans-124.4138.4179-170.1174.14.400109.5T866 R867 Y869T866-Q894 CarbonylContact C-O 3.59Å; T866-Q894 WeakPolarHBondContact CA-O 3.12Å; R867-Q894 PolarHBondContact N-O 2.95Å; R867-Q894 PolarHBondContact O-N 2.8Å; Y869-Q894 HydrophobicContact CD2-CB 4.44Å; Y869-Q894 HydrophobicContact CE2-CB 4.15Å
895Q46.5Very low52.1Low176 Ų176108 Ų10882%0.82251%0.508SS*.EExtended strand (participates in β ladder)trans-79.3134.7170.8-73.2169.9-33.400109.4T866T866-Q895 HydrophobicContact CG2-CG 3.97Å
896D51.5Low53Low63 Ų63108 Ų10834%0.33752%0.515SS..EExtended strand (participates in β ladder)trans-136.7163.6-172.9-162.3-6.9000108.5C865 R867C865-D896 PolarHBondContact N-O 3.39Å; C865-D896 PolarHBondContact O-N 2.91Å; R867-D896 HydrophobicContact CB-CB 4.15Å; R867-D896 VanDerWaalsContact CD-OD2 3.28Å; R867-D896 WeakPolarHBondContact CD-OD2 3.06Å; R867-D896 IonicContact NH1-OD2 3.91Å
897V54.3Low53.5Low80 Ų80110.7 Ų110.749%0.48553%0.525SS..EExtended strand (participates in β ladder)trans-113.495-177.1-175.80000110.1P862P862-V897 HydrophobicContact CB-CG1 3.49Å; P862-V897 VanDerWaalsContact CB-CG1 3.49Å
898C57.3Low53.5Low61 Ų61108.6 Ų108.641%0.41253%0.533SS..EExtended strand (participates in β ladder)trans-72.9171.8168.5-67.50000110.4P862 H863 C865P862-C898 CarbonylContact C-O 3.39Å; P862-C898 WeakPolarHBondContact CA-O 3.22Å; H863-C898 PolarHBondContact N-O 3.49Å; H863-C898 CarbonylContact O-C 3.53Å; H863-C898 WeakPolarHBondContact O-CA 3.4Å; H863-C898 PolarHBondContact O-N 3.08Å; H863-C898 VanDerWaalsContact O-O 3.08Å; C865-C898 HydrophobicContact CB-CB 3.82Å; C865-C898 WeakPolarHBondContact CB-SG 3.1Å; C865-C898 WeakPolarHBondContact SG-CB 3.42Å; C865-C898 PolarHBondContact SG-N 3.38Å; C865-C898 CovalentContact SG-SG 2.04Å; C865-C898 PolarHBondContact SG-SG 3.17Å
899Y63.3Low53.5Low159 Ų159111.3 Ų111.362%0.62455%0.547SS*.EExtended strand (participates in β ladder)trans-125.5131175.1-66.6-95000110.5V861 P862V861-Y899 WeakPolarHBondContact O-CA 3.24Å; P862-Y899 HydrophobicContact CB-CD1 4.12Å; P862-Y899 HydrophobicContact CB-CE1 3.88Å; P862-Y899 HydrophobicContact CG-CE1 4.49Å
900R59.8Low53.2Low150 Ų150110.7 Ų110.757%0.56656%0.56SS**EExtended strand (participates in β ladder)trans-105.4128.5173.4-166.6179.178.6171.85.5109.1V861 H863V861-R900 PolarHBondContact N-O 2.04Å; V861-R900 PolarHBondContact O-N 2.65Å; H863-R900 HydrophobicContact CB-CB 4.34Å
901E68.7Low52.8Low74 Ų74119.8 Ų119.835%0.34659%0.587SS.*EExtended strand (participates in β ladder)trans-84.5130.3175.8-143.1162.7-90.500109.3K850 Q859 R860K850-E901 IonicContact NZ-OE2 3.55Å; K850-E901 PolarHBondContact NZ-OE2 3.42Å; Q859-E901 CarbonylContact O-C 3.54Å; Q859-E901 WeakPolarHBondContact O-CA 3.32Å; R860-E901 HydrophobicContact CG-CB 4.46Å; R860-E901 HydrophobicContact CG-CG 3.86Å; R860-E901 WeakPolarHBondContact CG-OE1 3.17Å; R860-E901 IonicContact CZ-OE1 2.82Å; R860-E901 IonicContact NE-OE1 3.61Å; R860-E901 PolarHBondContact NE-OE1 3.26Å; R860-E901 IonicContact NH2-OE1 3.64Å; R860-E901 PolarHBondContact NH2-OE1 3.42Å
902I71.1Confident52.3Low62 Ų62124.4 Ų124.432%0.31860%0.604SS.*EExtended strand (participates in β ladder)trans-123131.6-179.8-55.7-178.2000107.5C858 Q859 V861C858-I902 CarbonylContact C-O 3.56Å; C858-I902 VanDerWaalsContact CA-O 3.31Å; C858-I902 WeakPolarHBondContact CA-O 3.45Å; Q859-I902 PolarHBondContact N-O 3.37Å; Q859-I902 PolarHBondContact O-N 2.61Å; V861-I902 HydrophobicContact CB-CD1 4.32Å; V861-I902 HydrophobicContact CG2-CD1 3.93Å; V861-I902 HydrophobicContact CG2-CG1 4.29Å
903C70.9Confident51.9Low55 Ų55124.4 Ų124.437%0.37262%0.624SS.*EExtended strand (participates in β ladder)trans-122.9132.5-176.4-58.90000111.4L856 L857 C858L856-C903 HydrophobicContact CB-CB 4.36Å; L857-C903 CarbonylContact O-C 3.56Å; L857-C903 VanDerWaalsContact O-CA 3.26Å; L857-C903 WeakPolarHBondContact O-CA 3.46Å; C858-C903 HydrophobicContact CB-CB 4.11Å; C858-C903 WeakPolarHBondContact CB-SG 3.33Å; C858-C903 WeakPolarHBondContact SG-CB 3.42Å; C858-C903 CovalentContact SG-SG 2.04Å; C858-C903 PolarHBondContact SG-SG 2.95Å
904E74Confident51.3Low137 Ų137124.9 Ų124.964%0.6463%0.631SS**EExtended strand (participates in β ladder)trans-127.4143.8-179.9-64.1-169.1177.700111.7L856 L857L856-E904 CarbonylContact C-O 3.52Å; L856-E904 WeakPolarHBondContact CA-O 3.47Å; L857-E904 PolarHBondContact N-O 2.9Å; L857-E904 PolarHBondContact O-N 2.87Å
905P68.1Low50.9Low87 Ų87130 Ų13057%0.56565%0.646SS**EExtended strand (participates in β ladder)trans-73.3133.1-179.529.6-34.5000112.3L856 K907L856-P905 HydrophobicContact CD2-CB 3.84Å; P905-K907 PolarHBondContact O-N 3.04Å; P905-K907 VanDerWaalsContact O-N 3.12Å
906V61Low50.3Low72 Ų72128 Ų12844%0.43664%0.637SS.*  trans-71.7106-180-176.90000110.1F849 E855 L857 S908F849-V906 HydrophobicContact CD1-CG2 4.44Å; F849-V906 HydrophobicContact CE1-CG2 4.01Å; E855-V906 PolarHBondContact O-N 3.44Å; L857-V906 HydrophobicContact CB-CG2 4.11Å; V906-S908 PolarHBondContact O-N 3.43Å
907K50Low49.5Very low192 Ų192132.9 Ų132.984%0.83566%0.657SS**  trans-70116.1177-69.4-180-178.9172.90110.7P905 Q909P905-K907 PolarHBondContact O-N 3.04Å; P905-K907 VanDerWaalsContact O-N 3.12Å; K907-Q909 PolarHBondContact O-N 2.97Å
908S41.7Very low48.5Very low111 Ų111141.4 Ų141.478%0.77669%0.692SS**  trans-68.6110.4177.344.80000111.8V906 T910V906-S908 PolarHBondContact O-N 3.43Å; S908-T910 PolarHBondContact O-N 2.86Å
909Q38.8Very low48.1Very low194 Ų194145.5 Ų145.591%0.90771%0.706SS**  trans-74.9107.8168.8-72.8-169.4-5.500110K907K907-Q909 PolarHBondContact O-N 2.97Å
910T32.8Very low47.3Very low128 Ų128144.7 Ų144.779%0.78571%0.71SS**  trans-66130.3169.329.50000110.6S908 R912S908-T910 PolarHBondContact O-N 2.86Å; T910-R912 PolarHBondContact O-N 2.86Å; T910-R912 VanDerWaalsContact O-N 3.11Å
911R32.8Very low46.6Very low251 Ų251144.4 Ų144.495%0.94772%0.718SS**  trans-57.6115.5167.9-82.8179.8166.4178.8-4.1109.8
912R30.5Very low45.3Very low240 Ų240148.6 Ų148.691%0.90674%0.74SS**  trans-114.6140.8152.1-91.6-173.1168.9-176.2-2.7108.8T910T910-R912 PolarHBondContact O-N 2.86Å; T910-R912 VanDerWaalsContact O-N 3.11Å
913A33.4Very low43.7Very low107 Ų107154 Ų15488%0.88477%0.766SS**  trans-107.7121.1-177.500000111.2
914S29.8Very low41.9Very low108 Ų108160.6 Ų160.676%0.75579%0.793SS**  trans-162.3105.8166.147.50000105.1
915R32.3Very low39.6Very low222 Ų222162.3 Ų162.384%0.83880%0.804SS**  69.4115.957.4-148.7-169-157.4-165.46.4111.8
916Q34.3Very low37.4Very low136 Ų136168.1 Ų168.164%0.63682%0.822SS**  trans70.7134.6165-72.5166.4-97.500119.2
917Q35.4Very low35.4Very low164 Ų164176.1 Ų176.177%0.76685%0.854SS**  trans46.7136.5133.7-63.6157.6-57.600118.5
918Q33.3Very low34.1Very low260 Ų260174.6 Ų174.6100%1.21586%0.856SS**  cis-147.5032.3-162.6165.15.600112.6

Retrieved 918 of 918 residues in 1512.3 ms (Link to these results)