A0A060YKI5_ONCMY Loading...

EGF containing fibulin extracellular matrix protein 2a

AlphaFold DB , UniProt , Accession A0A060YKI5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 438 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
1M34.2Very low32.7Very low236 Ų236138.5 Ų138.5100%1.16385%0.845SS**  0123.10-97.7170.3149.100107.6
2Q33.8Very low32.9Very low193 Ų193135.3 Ų135.390%0.90283%0.833SS**  trans65.5121.6165.9-61.1169.7-20.200115.4
3G32.2Very low32.9Very low71 Ų71135.5 Ų135.573%0.73283%0.833SS**  cis83.7130.630.500000110.1
4V36.2Very low33.4Very low136 Ų136138.7 Ų138.782%0.82483%0.83SS**  cis-171.5156.613.4156.60000108.4
5C28.6Very low33.3Very low120 Ų120140.7 Ų140.781%0.81183%0.834SS**  trans71125151.7-85.50000124.7
6A31.3Very low33.3Very low95 Ų95146.8 Ų146.879%0.78584%0.838SS**  -173.6105.6100.100000109.1
7A33.2Very low33.4Very low90 Ų90144.9 Ų144.974%0.74484%0.836SS**  69.6107.692.400000114.5
8I32.9Very low33.3Very low161 Ų161142.3 Ų142.383%0.82683%0.834SS**  trans-156.7112.1142.8-89.9142.9000108.9
9L33.1Very low33.5Very low159 Ų159143.1 Ų143.183%0.83283%0.833SS**  trans45.8112145.8-72.1145.1000122
10C31.9Very low33.6Very low124 Ų124141.8 Ų141.884%0.83883%0.832SS**  trans-62.8131.5148.7-67.10000111.8
11V32.5Very low34Very low139 Ų139143 Ų14384%0.84283%0.83SS**  -145.9118.4129.8179.90000108.1
12S34.9Very low34.3Very low99 Ų99137.1 Ų137.169%0.69281%0.809SS**  trans-63.1141.9173.943.80000114.3
13V32.9Very low34.5Very low139 Ų139134 Ų13484%0.84281%0.805SS**  -156.5134.2129.7174.50000110
14F39.9Very low34.8Very low180 Ų180136.8 Ų136.879%0.78981%0.809SS**  trans-33.8129.8176.6-72.1-100000119.3
15L31.3Very low35.3Very low169 Ų169139 Ų13989%0.88581%0.81SS**  trans-152.8108.4137.5-99.2129.2000108.5S17L15-S17 PolarHBondContact O-N 3.15Å
16R33.5Very low35.9Very low237 Ų237137.9 Ų137.989%0.89480%0.803SS**  trans-79.1107.8171.4-81.5-173.4175.4-173.2-0.5108.5A18R16-A18 PolarHBondContact O-N 3.03Å
17S35.1Very low36.2Very low116 Ų116139.7 Ų139.781%0.81180%0.8SS**  trans-81.998.8159.3-43.70000107.6L15L15-S17 PolarHBondContact O-N 3.15Å
18A31.7Very low36.8Very low97 Ų97141 Ų14180%0.80280%0.798SS**  trans-89.2121.6171.100000109.3R16R16-A18 PolarHBondContact O-N 3.03Å
19I37.7Very low37.7Very low157 Ų157142.1 Ų142.181%0.80579%0.794SS**  trans-55.8130174-70.4155.5000109.7Q21I19-Q21 PolarHBondContact O-N 3.09Å; I19-Q21 VanDerWaalsContact O-N 3.1Å
20S34.8Very low38.8Very low117 Ų117138.6 Ų138.682%0.81878%0.779SS**  trans-59.6104.5172.1173.60000110.7
21Q41.8Very low40.2Very low169 Ų169140.6 Ų140.679%0.7978%0.776SS**PPolyproline II helixtrans-91.3145156.5-74.2-177.7-2900108.6I19I19-Q21 PolarHBondContact O-N 3.09Å; I19-Q21 VanDerWaalsContact O-N 3.1Å
22P40.5Very low42Very low112 Ų112135.3 Ų135.373%0.72775%0.745SS**PPolyproline II helixtrans-65.4143.5176.228.9-33.1000109.9T24P22-T24 PolarHBondContact O-N 3.49Å
23P38.7Very low43.7Very low127 Ų127135.7 Ų135.783%0.82574%0.743SS**PPolyproline II helixtrans-67.8122.6179.228-30.6000109.1E25P23-E25 PolarHBondContact O-N 3.01Å
24T38.3Very low45.4Very low130 Ų130136.8 Ų136.880%0.79875%0.745SS**  trans-69.2112.5157.643.40000107.4P22 S26P22-T24 PolarHBondContact O-N 3.49Å; T24-S26 PolarHBondContact O-N 3.01Å; T24-S26 VanDerWaalsContact O-N 3.16Å
25E47Very low46.6Very low182 Ų182129.1 Ų129.185%0.8572%0.716SS**  trans-56.3115.2167-80.7178.1152.900109.5P23P23-E25 PolarHBondContact O-N 3.01Å
26S41Very low48.7Very low96 Ų96124.3 Ų124.367%0.67169%0.686SS**  trans-139.26615471.60000107.7T24 T28T24-S26 PolarHBondContact O-N 3.01Å; T24-S26 VanDerWaalsContact O-N 3.16Å; S26-T28 VanDerWaalsContact C-N 3.31Å; S26-T28 PolarHBondContact O-N 3.07Å
27D37.2Very low51Low134 Ų134119.4 Ų119.472%0.71767%0.674SS**  trans-74.988.6167.9-76.1-24.6000108.4Y29D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 HydrophobicContact CB-CD2 4.49Å; D27-Y29 PolarHBondContact O-N 3.34Å; D27-Y29 VanDerWaalsContact O-N 3.07Å
28T46.8Very low53.2Low116 Ų116118.3 Ų118.371%0.71265%0.652SS**  trans-75.188.9162.847.20000108.3S26 T30S26-T28 VanDerWaalsContact C-N 3.31Å; S26-T28 PolarHBondContact O-N 3.07Å; T28-T30 PolarHBondContact O-N 2.02Å; T28-T30 VanDerWaalsContact O-N 3.13Å
29Y50.8Low55.4Low185 Ų185115.1 Ų115.173%0.72562%0.621SS**  trans-55.6114.8166.6-101.3-98.1000108.9D27D27-Y29 VanDerWaalsContact C-N 3.3Å; D27-Y29 HydrophobicContact CB-CD2 4.49Å; D27-Y29 PolarHBondContact O-N 3.34Å; D27-Y29 VanDerWaalsContact O-N 3.07Å
30T57.3Low57Low85 Ų85112.4 Ų112.452%0.52161%0.614SS.*  trans-114.638.1177.230.80000110.6T28 W38T28-T30 PolarHBondContact O-N 2.02Å; T28-T30 VanDerWaalsContact O-N 3.13Å; T30-W38 HydrophobicContact CG2-CD2 4.39Å; T30-W38 HydrophobicContact CG2-CZ2 4.19Å
31E61Low58.8Low166 Ų166115.5 Ų115.578%0.77662%0.615SS**  trans-110.9114.6174.7-72-173.8165.200109.6
32C70.1Confident60.4Low29 Ų29110.4 Ų110.420%0.19660%0.596CS.*PPolyproline II helixtrans-84.8146.7169-63.40000109.4Y36 W38 C45C32-Y36 WeakPolarHBondContact CB-O 3.5Å; C32-W38 VanDerWaalsContact SG-CA 3.54Å; C32-W38 PolarHBondContact SG-N 3.44Å; C32-W38 VanDerWaalsContact SG-N 3.42Å; C32-C45 VanDerWaalsContact CA-SG 3.53Å; C32-C45 HydrophobicContact CB-CB 3.82Å; C32-C45 WeakPolarHBondContact CB-SG 3.36Å; C32-C45 VanDerWaalsContact SG-CA 3.55Å; C32-C45 WeakPolarHBondContact SG-CB 3.26Å; C32-C45 CovalentContact SG-SG 2.03Å; C32-C45 PolarHBondContact SG-SG 2.86Å
33T69.7Low62.2Low106 Ų106112 Ų11265%0.6559%0.593SS**PPolyproline II helixtrans-61.6152.4170.448.30000111.3G35 Y36T33-G35 PolarHBondContact O-N 3.06Å; T33-Y36 PolarHBondContact O-N 2.9Å; T33-Y36 VanDerWaalsContact O-N 3.12Å
34D69.1Low63.9Low163 Ų163112.3 Ų112.387%0.87258%0.584SS**THydrogen-bonded Turntrans-48.3137.8177.3-64.6-22.5000112
35G66.3Low65.7Low18 Ų18108.6 Ų108.619%0.18656%0.563CS.*THydrogen-bonded Turntrans89.8-3.5-172.700000114.8T33 I48T33-G35 PolarHBondContact O-N 3.06Å; G35-I48 PolarHBondContact O-N 2.94Å
36Y75.4Confident67.2Low68 Ų68104.9 Ų104.927%0.26754%0.544SS..EExtended strand (participates in β ladder)trans-129.1142.9178.1-61.8-99.6000112.4C32 T33 K46 D47 Y68 G69C32-Y36 WeakPolarHBondContact CB-O 3.5Å; T33-Y36 PolarHBondContact O-N 2.9Å; T33-Y36 VanDerWaalsContact O-N 3.12Å; Y36-K46 CarbonylContact C-O 3.56Å; Y36-K46 VanDerWaalsContact CA-O 3.3Å; Y36-K46 WeakPolarHBondContact CA-O 3.38Å; Y36-D47 HydrophobicContact CD1-CB 4.27Å; Y36-D47 HydrophobicContact CE1-CB 4.11Å; Y36-Y68 VanDerWaalsContact OH-C 3.29Å; Y36-G69 PolarHBondContact OH-N 2.59Å; Y36-G69 VanDerWaalsContact OH-N 3.16Å
37Q80.3Confident69Low134 Ų134102.3 Ų102.363%0.62652%0.522SS*.EExtended strand (participates in β ladder)trans-113.1134.4176.7-172.2172.619.200110.7D39 K46 I48Q37-D39 PolarHBondContact O-N 3.03Å; Q37-K46 PolarHBondContact N-O 3.22Å; Q37-K46 PolarHBondContact O-N 3.36Å; Q37-I48 HydrophobicContact CB-CD1 3.96Å; Q37-I48 HydrophobicContact CB-CG1 3.76Å
38W81.2Confident71.1Confident93 Ų9398.2 Ų98.235%0.35250%0.5SS..EExtended strand (participates in β ladder)trans-66.3122.8176.7-177.4-102.2000111.1T30 C32 P40 Q43T30-W38 HydrophobicContact CG2-CD2 4.39Å; T30-W38 HydrophobicContact CG2-CZ2 4.19Å; C32-W38 VanDerWaalsContact SG-CA 3.54Å; C32-W38 PolarHBondContact SG-N 3.44Å; C32-W38 VanDerWaalsContact SG-N 3.42Å; W38-P40 WeakPolarHBondContact O-CD 3.19Å; W38-Q43 VanDerWaalsContact CH2-C 3.4Å; W38-Q43 HydrophobicContact CH2-CB 4.28Å; W38-Q43 WeakPolarHBondContact CH2-O 3.38Å; W38-Q43 HydrophobicContact CZ2-CB 4.07Å
39D79.4Confident72.6Confident30 Ų3095 Ų9516%0.1648%0.478CS..EExtended strand (participates in β ladder)trans-96.9108.2170.3-174.1-22000110.1Q37 Q41 T42 Q43 H44 K46Q37-D39 PolarHBondContact O-N 3.03Å; D39-Q41 PolarHBondContact O-N 3.42Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.04Å; D39-Q41 PolarHBondContact OD1-N 3.3Å; D39-T42 WeakPolarHBondContact CB-OG1 3.04Å; D39-T42 PolarHBondContact O-N 2.81Å; D39-T42 PolarHBondContact OD1-N 2.66Å; D39-Q43 WeakPolarHBondContact O-CA 3.46Å; D39-Q43 PolarHBondContact O-N 3.4Å; D39-H44 PolarHBondContact N-O 3.35Å; D39-K46 HydrophobicContact CB-CD 3.93Å; D39-K46 HydrophobicContact CB-CG 4.13Å; D39-K46 WeakPolarHBondContact OD2-CD 3.09Å; D39-K46 WeakPolarHBondContact OD2-CE 3.33Å; D39-K46 IonicContact OD2-NZ 2.85Å; D39-K46 PolarHBondContact OD2-NZ 2.03Å
40P70.9Confident74.1Confident100 Ų10087 Ų8765%0.64945%0.447SS*.THydrogen-bonded Turntrans-69.9-15.1-177.826.9-32.5000114W38W38-P40 WeakPolarHBondContact O-CD 3.19Å
41Q72Confident75.1Confident182 Ų18284.7 Ų84.785%0.8544%0.435SS*.THydrogen-bonded Turntrans-82.6-35.6176-63.3-168.3-9.800112.2D39D39-Q41 PolarHBondContact O-N 3.42Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.04Å; D39-Q41 PolarHBondContact OD1-N 3.3Å
42T75.8Confident75.9Confident63 Ų6384.5 Ų84.539%0.38743%0.434SS..THydrogen-bonded Turntrans-99-5.6179.159.50000113.6D39 H44D39-T42 WeakPolarHBondContact CB-OG1 3.04Å; D39-T42 PolarHBondContact O-N 2.81Å; D39-T42 PolarHBondContact OD1-N 2.66Å; T42-H44 PolarHBondContact O-CD2 2.81Å; T42-H44 PolarHBondContact O-N 3.39Å
43Q77.2Confident76.2Confident144 Ų14487.3 Ų87.367%0.67345%0.45SS*.THydrogen-bonded Turntrans50.737.2-174.9-62.6-171.9-21.100113.2W38 D39W38-Q43 VanDerWaalsContact CH2-C 3.4Å; W38-Q43 HydrophobicContact CH2-CB 4.28Å; W38-Q43 WeakPolarHBondContact CH2-O 3.38Å; W38-Q43 HydrophobicContact CZ2-CB 4.07Å; D39-Q43 WeakPolarHBondContact O-CA 3.46Å; D39-Q43 PolarHBondContact O-N 3.4Å
44H75.1Confident76.6Confident134 Ų13485.7 Ų85.762%0.6244%0.437SS*.EExtended strand (participates in β ladder)trans-140.4149.6-179.6-75.1-62.7000110.4D39 T42 K46D39-H44 PolarHBondContact N-O 3.35Å; T42-H44 PolarHBondContact O-CD2 2.81Å; T42-H44 PolarHBondContact O-N 3.39Å; H44-K46 PolarHBondContact O-N 3.2Å
45C75.8Confident76.2Confident52 Ų5283.7 Ų83.735%0.35143%0.433SS..EExtended strand (participates in β ladder)trans-72.6120.8171.4-62.90000109.8C32C32-C45 VanDerWaalsContact CA-SG 3.53Å; C32-C45 HydrophobicContact CB-CB 3.82Å; C32-C45 WeakPolarHBondContact CB-SG 3.36Å; C32-C45 VanDerWaalsContact SG-CA 3.55Å; C32-C45 WeakPolarHBondContact SG-CB 3.26Å; C32-C45 CovalentContact SG-SG 2.03Å; C32-C45 PolarHBondContact SG-SG 2.86Å
46K78.7Confident76.3Confident104 Ų10491.6 Ų91.645%0.45247%0.465SS..EExtended strand (participates in β ladder)trans-101140.8174.8-74.8-174.1176.8171.20110.2Y36 Q37 D39 H44Y36-K46 CarbonylContact C-O 3.56Å; Y36-K46 VanDerWaalsContact CA-O 3.3Å; Y36-K46 WeakPolarHBondContact CA-O 3.38Å; Q37-K46 PolarHBondContact N-O 3.22Å; Q37-K46 PolarHBondContact O-N 3.36Å; D39-K46 HydrophobicContact CB-CD 3.93Å; D39-K46 HydrophobicContact CB-CG 4.13Å; D39-K46 WeakPolarHBondContact OD2-CD 3.09Å; D39-K46 WeakPolarHBondContact OD2-CE 3.33Å; D39-K46 IonicContact OD2-NZ 2.85Å; D39-K46 PolarHBondContact OD2-NZ 2.03Å; H44-K46 PolarHBondContact O-N 3.2Å
47D78.9Confident75.9Confident42 Ų4289.1 Ų89.123%0.22546%0.459CS..EExtended strand (participates in β ladder)trans-57.2133.9174.6-175.863.3000111.4Y36 N66 H67 Y68 G69Y36-D47 HydrophobicContact CD1-CB 4.27Å; Y36-D47 HydrophobicContact CE1-CB 4.11Å; D47-N66 PolarHBondContact OD2-ND2 2.82Å; D47-H67 VanDerWaalsContact OD1-O 3.08Å; D47-Y68 HydrophobicContact CB-CD1 4.03Å; D47-Y68 HydrophobicContact CB-CE1 4.39Å; D47-Y68 WeakPolarHBondContact OD1-CA 3.5Å; D47-G69 PolarHBondContact OD1-N 3.02Å
48I80.6Confident75.5Confident48 Ų4883.6 Ų83.625%0.24644%0.435CS..PPolyproline II helixtrans-86.2133.7175.4-62.9173.2000107.9G35 Q37 E50 T53 N66G35-I48 PolarHBondContact O-N 2.94Å; Q37-I48 HydrophobicContact CB-CD1 3.96Å; Q37-I48 HydrophobicContact CB-CG1 3.76Å; I48-E50 HydrophobicContact CG2-CG 4.47Å; I48-E50 PolarHBondContact O-N 2.84Å; I48-E50 VanDerWaalsContact O-N 3.15Å; I48-T53 HydrophobicContact CG2-CG2 4.26Å; I48-N66 PolarHBondContact O-OD1 2.85Å
49N78.3Confident74.8Confident48 Ų4888.4 Ų88.426%0.25746%0.458SS..  trans-81.593.1172.2-172.9-9.1000111C51 E52 T53 N66N49-C51 PolarHBondContact O-N 2.96Å; N49-C51 WeakPolarHBondContact OD1-CB 3.14Å; N49-C51 PolarHBondContact OD1-N 2.97Å; N49-E52 VanDerWaalsContact ND2-CD 3.26Å; N49-E52 PolarHBondContact ND2-OE1 3.3Å; N49-E52 PolarHBondContact O-N 2.73Å; N49-T53 PolarHBondContact O-N 3.27Å; N49-T53 VanDerWaalsContact O-N 3.12Å; N49-T53 PolarHBondContact O-OG1 3.33Å; N49-N66 VanDerWaalsContact CA-OD1 3.29Å; N49-N66 WeakPolarHBondContact CA-OD1 3.45Å; N49-N66 WeakPolarHBondContact OD1-CB 3.47Å; N49-N66 PolarHBondContact OD1-OD1 2.84Å
50E83.7Confident74.2Confident17 Ų1790.4 Ų90.48%0.07949%0.486CS..Hα-helixtrans-69.6-22.1-177.1-60.487177.300113.5I48 E52 T53 I54 N66 G70 Y71I48-E50 HydrophobicContact CG2-CG 4.47Å; I48-E50 PolarHBondContact O-N 2.84Å; I48-E50 VanDerWaalsContact O-N 3.15Å; E50-E52 PolarHBondContact O-N 2.88Å; E50-T53 VanDerWaalsContact CA-OG1 3.28Å; E50-T53 WeakPolarHBondContact CA-OG1 3.49Å; E50-T53 PolarHBondContact O-N 2.88Å; E50-I54 HydrophobicContact CB-CD1 3.9Å; E50-I54 HydrophobicContact CB-CG1 4.2Å; E50-I54 HydrophobicContact CG-CD1 4.19Å; E50-I54 WeakPolarHBondContact O-CB 3.3Å; E50-I54 PolarHBondContact O-N 2.98Å; E50-N66 PolarHBondContact N-OD1 2.82Å; E50-N66 PolarHBondContact OE2-OD1 2.77Å; E50-G70 VanDerWaalsContact CD-CA 3.49Å; E50-G70 WeakPolarHBondContact OE1-CA 3.4Å; E50-G70 VanDerWaalsContact OE2-CA 3.26Å; E50-G70 WeakPolarHBondContact OE2-CA 3.33Å; E50-Y71 HydrophobicContact CB-CD1 3.28Å; E50-Y71 HydrophobicContact CB-CE1 3.97Å; E50-Y71 HydrophobicContact CB-CG 3.93Å; E50-Y71 HydrophobicContact CG-CD1 3.9Å
51C76.9Confident73.9Confident38 Ų3893.9 Ų93.926%0.25749%0.493SS..Hα-helixtrans-68.3-20.2175-62.60000113.5N49 C64 F65 N66N49-C51 PolarHBondContact O-N 2.96Å; N49-C51 WeakPolarHBondContact OD1-CB 3.14Å; N49-C51 PolarHBondContact OD1-N 2.97Å; C51-C64 WeakPolarHBondContact CA-SG 3.48Å; C51-C64 HydrophobicContact CB-CB 3.79Å; C51-C64 WeakPolarHBondContact CB-SG 3.22Å; C51-C64 WeakPolarHBondContact SG-CB 3.48Å; C51-C64 CovalentContact SG-SG 2.04Å; C51-C64 PolarHBondContact SG-SG 2.78Å; C51-F65 PolarHBondContact SG-N 2.74Å; C51-N66 PolarHBondContact SG-N 3.32Å; C51-N66 VanDerWaalsContact SG-N 3.45Å
52E79.8Confident73.8Confident161 Ų16188.5 Ų88.575%0.75247%0.469SS*.Hα-helixtrans-101-31.2175.3-69.7179.9-17700112.2N49 E50N49-E52 VanDerWaalsContact ND2-CD 3.26Å; N49-E52 PolarHBondContact ND2-OE1 3.3Å; N49-E52 PolarHBondContact O-N 2.73Å; E50-E52 PolarHBondContact O-N 2.88Å
53T76.3Confident73.8Confident89 Ų8990.3 Ų90.355%0.54647%0.471SS..Hα-helixtrans-90.1-24.2-175.552.50000113.8I48 N49 E50I48-T53 HydrophobicContact CG2-CG2 4.26Å; N49-T53 PolarHBondContact O-N 3.27Å; N49-T53 VanDerWaalsContact O-N 3.12Å; N49-T53 PolarHBondContact O-OG1 3.33Å; E50-T53 VanDerWaalsContact CA-OG1 3.28Å; E50-T53 WeakPolarHBondContact CA-OG1 3.49Å; E50-T53 PolarHBondContact O-N 2.88Å
54I76.5Confident73.7Confident72 Ų7285 Ų8537%0.36945%0.45SS..SBendtrans-105.1110.9176.2-54.4-178.8000110.1E50 E56 A57 Y71E50-I54 HydrophobicContact CB-CD1 3.9Å; E50-I54 HydrophobicContact CB-CG1 4.2Å; E50-I54 HydrophobicContact CG-CD1 4.19Å; E50-I54 WeakPolarHBondContact O-CB 3.3Å; E50-I54 PolarHBondContact O-N 2.98Å; I54-E56 PolarHBondContact O-N 2.96Å; I54-A57 HydrophobicContact CB-CB 4.07Å; I54-A57 HydrophobicContact CG2-CB 4.16Å; I54-A57 PolarHBondContact O-N 3.02Å; I54-Y71 HydrophobicContact CD1-CE1 3.91Å
55P62.1Low73.7Confident120 Ų12082.8 Ų82.878%0.77944%0.438SS*.THydrogen-bonded Turntrans-67.2129.8174.925.1-30000110.6
56E67.3Low73.6Confident185 Ų18583.3 Ų83.386%0.86444%0.438SS*.THydrogen-bonded Turntrans55.242.9-171.6-58.3-159.5153.400114.4I54 C58I54-E56 PolarHBondContact O-N 2.96Å; E56-C58 PolarHBondContact O-N 2.93Å
57A68.3Low73.5Confident16 Ų1684.1 Ų84.113%0.13244%0.443CS..  trans-46.8-35.6176.300000113.4I54 Y71I54-A57 HydrophobicContact CB-CB 4.07Å; I54-A57 HydrophobicContact CG2-CB 4.16Å; I54-A57 PolarHBondContact O-N 3.02Å; A57-Y71 HydrophobicContact CB-CD2 3.91Å; A57-Y71 HydrophobicContact CB-CE2 3.58Å; A57-Y71 WeakPolarHBondContact O-CE2 3.26Å; A57-Y71 PolarHBondContact O-OH 3.2Å; A57-Y71 VanDerWaalsContact O-OH 3.12Å
58C71.3Confident73.3Confident18 Ų1890.9 Ų90.912%0.12247%0.467CS..SBendtrans-112129.6177-59.20000112.2E56 M62 C64 C73E56-C58 PolarHBondContact O-N 2.93Å; C58-M62 HydrophobicContact CB-CB 4.04Å; C58-C64 VanDerWaalsContact SG-CA 3.52Å; C58-C64 WeakPolarHBondContact SG-CB 3.44Å; C58-C73 WeakPolarHBondContact CA-SG 3.19Å; C58-C73 HydrophobicContact CB-CB 3.67Å; C58-C73 WeakPolarHBondContact CB-SG 3.02Å; C58-C73 WeakPolarHBondContact SG-CA 3.4Å; C58-C73 WeakPolarHBondContact SG-CB 3.33Å; C58-C73 CovalentContact SG-SG 2.01Å; C58-C73 PolarHBondContact SG-SG 3.26Å
59K66.3Low72.8Confident194 Ų19490.2 Ų90.284%0.84347%0.472SS*.  trans-84.5139.5175.4-63.8-176.1179.5179.40111.6
60G66.8Low72.8Confident72 Ų7288.9 Ų88.974%0.74247%0.469SS*.SBendtrans85.3-158176.700000114.3M62G60-M62 PolarHBondContact O-N 2.77Å
61E64.4Low72.7Confident173 Ų17392.3 Ų92.381%0.80848%0.482SS*.SBendtrans-79.134.6180-61.7-168.8164.500113.7R76E61-R76 PolarHBondContact O-N 2.89Å
62M69.8Low72.4Confident68 Ų6895 Ų9534%0.33549%0.493SS..EExtended strand (participates in β ladder)trans-100.8136.6-175.3-55.3-68.1-81.400110.1C58 G60 C73 L74 P75C58-M62 HydrophobicContact CB-CB 4.04Å; G60-M62 PolarHBondContact O-N 2.77Å; M62-C73 HydrophobicContact CB-CB 4.07Å; M62-C73 HydrophobicContact CE-CB 4.44Å; M62-C73 VanDerWaalsContact CE-O 3.29Å; M62-C73 WeakPolarHBondContact CE-O 3.04Å; M62-L74 CarbonylContact C-O 3.17Å; M62-L74 WeakPolarHBondContact CA-O 3.25Å; M62-P75 HydrophobicContact CE-CB 4.43Å; M62-P75 VanDerWaalsContact SD-CA 3.5Å; M62-P75 HydrophobicContact SD-CB 3.71Å; M62-P75 HydrophobicContact SD-CG 4.42Å
63K75.1Confident72.2Confident102 Ų10289.3 Ų89.344%0.44347%0.471SS..EExtended strand (participates in β ladder)trans-94.8131.5175.2-173.2177179-173.60109.6F65 C73 L74 R76K63-F65 HydrophobicContact CB-CE2 3.89Å; K63-F65 HydrophobicContact CB-CZ 4.45Å; K63-F65 HydrophobicContact CD-CE2 4.16Å; K63-F65 HydrophobicContact CD-CZ 3.89Å; K63-F65 HydrophobicContact CG-CE2 3.95Å; K63-F65 HydrophobicContact CG-CZ 4.18Å; K63-F65 VanDerWaalsContact O-CD2 3.24Å; K63-F65 WeakPolarHBondContact O-CD2 3.18Å; K63-F65 WeakPolarHBondContact O-CE2 3.41Å; K63-C73 WeakPolarHBondContact O-CA 3.49Å; K63-L74 PolarHBondContact N-O 2.69Å; K63-L74 PolarHBondContact O-N 2.92Å; K63-R76 HydrophobicContact CB-CG 4.23Å
64C75Confident71.7Confident32 Ų3288.8 Ų88.822%0.21646%0.464CS..EExtended strand (participates in β ladder)trans-78136.9176-167.20000111.2C51 C58 Y71 L72C51-C64 WeakPolarHBondContact CA-SG 3.48Å; C51-C64 HydrophobicContact CB-CB 3.79Å; C51-C64 WeakPolarHBondContact CB-SG 3.22Å; C51-C64 WeakPolarHBondContact SG-CB 3.48Å; C51-C64 CovalentContact SG-SG 2.04Å; C51-C64 PolarHBondContact SG-SG 2.78Å; C58-C64 VanDerWaalsContact SG-CA 3.52Å; C58-C64 WeakPolarHBondContact SG-CB 3.44Å; C64-Y71 WeakPolarHBondContact SG-CD2 3.45Å; C64-L72 CarbonylContact C-O 3.55Å; C64-L72 WeakPolarHBondContact CA-O 3.41Å
65F76.7Confident70.9Confident88 Ų8889.4 Ų89.439%0.38647%0.473SS..EExtended strand (participates in β ladder)trans-128.4126.5173.6-66.1-95.2000109.1C51 K63 Y71 L72 L74C51-F65 PolarHBondContact SG-N 2.74Å; K63-F65 HydrophobicContact CB-CE2 3.89Å; K63-F65 HydrophobicContact CB-CZ 4.45Å; K63-F65 HydrophobicContact CD-CE2 4.16Å; K63-F65 HydrophobicContact CD-CZ 3.89Å; K63-F65 HydrophobicContact CG-CE2 3.95Å; K63-F65 HydrophobicContact CG-CZ 4.18Å; K63-F65 VanDerWaalsContact O-CD2 3.24Å; K63-F65 WeakPolarHBondContact O-CD2 3.18Å; K63-F65 WeakPolarHBondContact O-CE2 3.41Å; F65-Y71 CarbonylContact O-C 3.5Å; F65-Y71 WeakPolarHBondContact O-CA 3.47Å; F65-L72 PolarHBondContact N-O 3.13Å; F65-L72 PolarHBondContact O-N 3.12Å; F65-L74 HydrophobicContact CD2-CB 4.15Å; F65-L74 HydrophobicContact CD2-CD1 3.94Å; F65-L74 HydrophobicContact CD2-CG 4.12Å; F65-L74 HydrophobicContact CE2-CB 3.81Å; F65-L74 HydrophobicContact CE2-CD1 3.92Å; F65-L74 HydrophobicContact CE2-CG 4.19Å
66N71.9Confident70.5Confident63 Ų6392.5 Ų92.534%0.33747%0.469SS..EExtended strand (participates in β ladder)trans-68.4139.4176.9-163.845.4000111.3D47 I48 N49 E50 C51D47-N66 PolarHBondContact OD2-ND2 2.82Å; I48-N66 PolarHBondContact O-OD1 2.85Å; N49-N66 VanDerWaalsContact CA-OD1 3.29Å; N49-N66 WeakPolarHBondContact CA-OD1 3.45Å; N49-N66 WeakPolarHBondContact OD1-CB 3.47Å; N49-N66 PolarHBondContact OD1-OD1 2.84Å; E50-N66 PolarHBondContact N-OD1 2.82Å; E50-N66 PolarHBondContact OE2-OD1 2.77Å; C51-N66 PolarHBondContact SG-N 3.32Å; C51-N66 VanDerWaalsContact SG-N 3.45Å
67H77.9Confident69.7Low121 Ų12188.8 Ų88.856%0.5646%0.463SS*.EExtended strand (participates in β ladder)trans-137.9162.8179.3-162.461.5000110.7D47 G69 G70D47-H67 VanDerWaalsContact OD1-O 3.08Å; H67-G69 PolarHBondContact O-N 2.8Å; H67-G69 VanDerWaalsContact O-N 3.13Å; H67-G70 CarbonylContact C-O 3.57Å; H67-G70 WeakPolarHBondContact CA-O 3.26Å; H67-G70 VanDerWaalsContact CB-O 3.32Å; H67-G70 WeakPolarHBondContact CB-O 3.25Å; H67-G70 PolarHBondContact N-O 3.28Å; H67-G70 PolarHBondContact O-N 2.89Å
68Y74.2Confident68.3Low184 Ų18493 Ų9372%0.72250%0.498SS*.THydrogen-bonded Turntrans-68.3115.7-179.6-75.1-74.8000111Y36 D47Y36-Y68 VanDerWaalsContact OH-C 3.29Å; D47-Y68 HydrophobicContact CB-CD1 4.03Å; D47-Y68 HydrophobicContact CB-CE1 4.39Å; D47-Y68 WeakPolarHBondContact OD1-CA 3.5Å
69G70.7Confident66.9Low34 Ų3497.5 Ų97.535%0.35153%0.53SS..THydrogen-bonded Turntrans8217-178.600000114.7Y36 D47 H67Y36-G69 PolarHBondContact OH-N 2.59Å; Y36-G69 VanDerWaalsContact OH-N 3.16Å; D47-G69 PolarHBondContact OD1-N 3.02Å; H67-G69 PolarHBondContact O-N 2.8Å; H67-G69 VanDerWaalsContact O-N 3.13Å
70G78.7Confident65.7Low19 Ų1994.9 Ų94.920%0.19653%0.53CS..EExtended strand (participates in β ladder)trans161.1-168.2179.400000114.2E50 H67E50-G70 VanDerWaalsContact CD-CA 3.49Å; E50-G70 WeakPolarHBondContact OE1-CA 3.4Å; E50-G70 VanDerWaalsContact OE2-CA 3.26Å; E50-G70 WeakPolarHBondContact OE2-CA 3.33Å; H67-G70 CarbonylContact C-O 3.57Å; H67-G70 WeakPolarHBondContact CA-O 3.26Å; H67-G70 VanDerWaalsContact CB-O 3.32Å; H67-G70 WeakPolarHBondContact CB-O 3.25Å; H67-G70 PolarHBondContact N-O 3.28Å; H67-G70 PolarHBondContact O-N 2.89Å
71Y81.1Confident64.1Low90 Ų9099.3 Ų99.335%0.35354%0.535SS..EExtended strand (participates in β ladder)trans-127.8154.6-179.364.6-78.6000113E50 I54 A57 C64 F65E50-Y71 HydrophobicContact CB-CD1 3.28Å; E50-Y71 HydrophobicContact CB-CE1 3.97Å; E50-Y71 HydrophobicContact CB-CG 3.93Å; E50-Y71 HydrophobicContact CG-CD1 3.9Å; I54-Y71 HydrophobicContact CD1-CE1 3.91Å; A57-Y71 HydrophobicContact CB-CD2 3.91Å; A57-Y71 HydrophobicContact CB-CE2 3.58Å; A57-Y71 WeakPolarHBondContact O-CE2 3.26Å; A57-Y71 PolarHBondContact O-OH 3.2Å; A57-Y71 VanDerWaalsContact O-OH 3.12Å; C64-Y71 WeakPolarHBondContact SG-CD2 3.45Å; F65-Y71 CarbonylContact O-C 3.5Å; F65-Y71 WeakPolarHBondContact O-CA 3.47Å
72L71.1Confident62.8Low94 Ų9496.3 Ų96.349%0.49253%0.53SS..EExtended strand (participates in β ladder)trans-116.6133.6179.8-166.374.6000111.2C64 F65 L74C64-L72 CarbonylContact C-O 3.55Å; C64-L72 WeakPolarHBondContact CA-O 3.41Å; F65-L72 PolarHBondContact N-O 3.13Å; F65-L72 PolarHBondContact O-N 3.12Å; L72-L74 HydrophobicContact CD2-CD1 4.07Å; L72-L74 HydrophobicContact CD2-CD2 3.84Å; L72-L74 HydrophobicContact CD2-CG 3.93Å; L72-L74 HydrophobicContact CG-CD2 4.25Å; L72-L74 HydrophobicContact CG-CG 4.26Å
73C75.8Confident61.4Low42 Ų4297.8 Ų97.828%0.28455%0.553SS.*EExtended strand (participates in β ladder)trans-102.3118.7175.6-58.30000110.2C58 M62 K63C58-C73 WeakPolarHBondContact CA-SG 3.19Å; C58-C73 HydrophobicContact CB-CB 3.67Å; C58-C73 WeakPolarHBondContact CB-SG 3.02Å; C58-C73 WeakPolarHBondContact SG-CA 3.4Å; C58-C73 WeakPolarHBondContact SG-CB 3.33Å; C58-C73 CovalentContact SG-SG 2.01Å; C58-C73 PolarHBondContact SG-SG 3.26Å; M62-C73 HydrophobicContact CB-CB 4.07Å; M62-C73 HydrophobicContact CE-CB 4.44Å; M62-C73 VanDerWaalsContact CE-O 3.29Å; M62-C73 WeakPolarHBondContact CE-O 3.04Å; K63-C73 WeakPolarHBondContact O-CA 3.49Å
74L65.4Low59.5Low78 Ų7898.8 Ų98.841%0.40857%0.57SS.*EExtended strand (participates in β ladder)trans-120.9145.2178.9-62.9174.7000112.2M62 K63 F65 L72M62-L74 CarbonylContact C-O 3.17Å; M62-L74 WeakPolarHBondContact CA-O 3.25Å; K63-L74 PolarHBondContact N-O 2.69Å; K63-L74 PolarHBondContact O-N 2.92Å; F65-L74 HydrophobicContact CD2-CB 4.15Å; F65-L74 HydrophobicContact CD2-CD1 3.94Å; F65-L74 HydrophobicContact CD2-CG 4.12Å; F65-L74 HydrophobicContact CE2-CB 3.81Å; F65-L74 HydrophobicContact CE2-CD1 3.92Å; F65-L74 HydrophobicContact CE2-CG 4.19Å; L72-L74 HydrophobicContact CD2-CD1 4.07Å; L72-L74 HydrophobicContact CD2-CD2 3.84Å; L72-L74 HydrophobicContact CD2-CG 3.93Å; L72-L74 HydrophobicContact CG-CD2 4.25Å; L72-L74 HydrophobicContact CG-CG 4.26Å
75P58.2Low57.7Low85 Ų85105 Ų10555%0.55260%0.601SS**EExtended strand (participates in β ladder)trans-69.1142.3-17927.6-31.8000111.6M62 S77M62-P75 HydrophobicContact CE-CB 4.43Å; M62-P75 VanDerWaalsContact SD-CA 3.5Å; M62-P75 HydrophobicContact SD-CB 3.71Å; M62-P75 HydrophobicContact SD-CG 4.42Å; P75-S77 PolarHBondContact O-N 2.77Å
76R55Low56.4Low184 Ų184106.1 Ų106.169%0.69462%0.618SS**  trans-7585.1174.2-78.3-169.8164.8115.1-4.5111.1E61 K63 A78E61-R76 PolarHBondContact O-N 2.89Å; K63-R76 HydrophobicContact CB-CG 4.23Å; R76-A78 PolarHBondContact O-N 2.86Å
77S51.2Low54.6Low108 Ų108108.6 Ų108.676%0.75564%0.637SS**  trans-82109.8164.652.80000110P75P75-S77 PolarHBondContact O-N 2.77Å
78A38.6Very low52.3Low104 Ų104108.2 Ų108.286%0.8665%0.648SS**  trans-71.8126.9173.600000110.7R76R76-A78 PolarHBondContact O-N 2.86Å
79S42.1Very low50.5Low113 Ų113108.2 Ų108.279%0.7966%0.655SS**  trans-106.6158161.4-71.30000109.6
80V39.3Very low49.3Very low138 Ų138112.9 Ų112.984%0.83668%0.679SS**  trans107.5105.2160.2-170.80000115.5
81I33.4Very low47Very low165 Ų165114.8 Ų114.885%0.84670%0.698SS**  trans-146.3160.7146.1-17.4177000107.9
82P37.9Very low44.6Very low110 Ų110117 Ų11771%0.71472%0.721SS**  -116.5174.6-117.626.5-2.3000114.1
83A41Very low42.8Very low100 Ų100118.8 Ų118.883%0.82673%0.731SS**  trans-67.4147.2171.600000112.8
84P35.4Very low40.8Very low123 Ų123122.7 Ų122.780%0.79975%0.749SS**  trans-105.4146.6157.414.55.1000113
85D35.6Very low39.2Very low161 Ų161126.6 Ų126.686%0.86177%0.765SS**  trans-70.9168.8179.9-88.7-40.5000115.2
86P50.4Low38.2Very low113 Ų113127.1 Ų127.173%0.73477%0.77SS**  trans-95163.9-161.337.3-33.7000114.4
87P32.8Very low37.3Very low115 Ų115124.7 Ų124.775%0.74778%0.776SS**  trans-130.3119.8153.329.2-11.1000114.4
88S31.1Very low36.6Very low113 Ų113124.1 Ų124.179%0.7978%0.778SS**  26.5124.5129.755.50000121.8
89Q36.2Very low37Very low184 Ų184131.2 Ų131.286%0.8678%0.783SS**  trans-49.6161.6144.6-77.3-169.8-14.900112.3
90P44.6Very low37.5Very low132 Ų132133.6 Ų133.686%0.85778%0.781SS**  cis-155.8178.747.640.2-17000119.3
91G31.6Very low38.2Very low58 Ų58132.2 Ų132.260%0.59878%0.775SS**  trans124.9103.1151.700000115.8
92T29.6Very low39.2Very low137 Ų137134.4 Ų134.484%0.8478%0.779SS**  70.2136.697.955.30000114.6
93N33.4Very low40.2Very low132 Ų132132.9 Ų132.971%0.70677%0.765SS**  cis-178.8154.1-0.3-130.6-15000107.1
94L33.8Very low41.7Very low124 Ų124133.4 Ų133.465%0.64976%0.76SS**  trans63.5144.8156.9-77.384.5000117.7
95E32.6Very low43.6Very low159 Ų159128.4 Ų128.474%0.74373%0.727SS**  cis-165.3129.916.9-117.2160169.700106.4
96S37.7Very low45.7Very low96 Ų96124.7 Ų124.767%0.67171%0.712SS**  48.299104.7170.10000117
97T35.8Very low47.1Very low134 Ų134127.4 Ų127.482%0.82272%0.719SS**  157.4118.4110.140.50000112
98A36.5Very low49.3Very low95 Ų95123 Ų12379%0.78570%0.695SS**  trans-157.6127.9140.600000108.1E100A98-E100 PolarHBondContact O-N 3.37Å
99R45.4Very low51.8Low254 Ų254120.4 Ų120.496%0.95867%0.668SS**  trans-91.792.3-169.8-158.5178.4-167174.71.5106.9
100E54Low54.1Low163 Ų163115.1 Ų115.176%0.76264%0.644SS**  trans-75.3147.8172.2-78.2-72.8134.300110.2A98A98-E100 PolarHBondContact O-N 3.37Å
101P53.9Low55.8Low109 Ų109112.1 Ų112.171%0.70862%0.624SS**  trans-62.6137-175.913.6-10.3000110.5N103P101-N103 PolarHBondContact O-N 2.86Å
102F55Low58.2Low210 Ų210115.6 Ų115.692%0.92163%0.625SS**  trans-56.4105.5171.8-98.2-94000108.8P104F102-P104 WeakPolarHBondContact O-CD 3.41Å
103N58.8Low60.6Low78 Ų78112.6 Ų112.642%0.41762%0.622SS.*  trans-70.4117.9164.9-174.2-1000107.1P101 C105 Y109 P111P101-N103 PolarHBondContact O-N 2.86Å; N103-C105 PolarHBondContact O-N 2.83Å; N103-C105 PolarHBondContact OD1-N 3.3Å; N103-Y109 PolarHBondContact ND2-O 2.04Å; N103-P111 VanDerWaalsContact OD1-CD 3.27Å; N103-P111 WeakPolarHBondContact OD1-CD 3.36Å; N103-P111 WeakPolarHBondContact OD1-CG 3.48Å
104P71.6Confident62.6Low112 Ų112115.2 Ų115.273%0.72764%0.635SS**SBendtrans-72.6-3.4-178.629-34.3000113.6F102 P111F102-P104 WeakPolarHBondContact O-CD 3.41Å; P104-P111 HydrophobicContact CG-CB 4.29Å
105C74.6Confident64.7Low17 Ų17112.4 Ų112.412%0.11563%0.626CS.*SBendtrans-95151.7-180-680000113N103 C116N103-C105 PolarHBondContact O-N 2.83Å; N103-C105 PolarHBondContact OD1-N 3.3Å; C105-C116 WeakPolarHBondContact CA-SG 3.05Å; C105-C116 HydrophobicContact CB-CB 3.75Å; C105-C116 WeakPolarHBondContact CB-SG 3.47Å; C105-C116 WeakPolarHBondContact SG-CA 3.34Å; C105-C116 WeakPolarHBondContact SG-CB 3.23Å; C105-C116 CovalentContact SG-SG 2.04Å; C105-C116 PolarHBondContact SG-SG 2.94Å
106P80.3Confident67.2Low83 Ų83107.6 Ų107.654%0.53961%0.61SS.*PPolyproline II helixtrans-55157.6172.1-23.233.7000112.7G108 Y109P106-G108 PolarHBondContact O-N 3.47Å; P106-Y109 HydrophobicContact CB-CD2 4.11Å; P106-Y109 WeakPolarHBondContact O-CB 3.26Å; P106-Y109 PolarHBondContact O-N 2.87Å
107L79.1Confident69.6Low170 Ų170105.9 Ų105.989%0.8960%0.595SS**THydrogen-bonded Turntrans-54.2135.1174.6-67.8170.5000110.3
108G79.4Confident72.1Confident23 Ų23101.4 Ų101.424%0.23757%0.566CS.*THydrogen-bonded Turntrans85.44-173.700000114.8P106 V119P106-G108 PolarHBondContact O-N 3.47Å; G108-V119 WeakPolarHBondContact O-CB 3.3Å; G108-V119 WeakPolarHBondContact O-CG2 3.18Å; G108-V119 PolarHBondContact O-N 3.35Å
109Y84.9Confident74.7Confident59 Ų5997.7 Ų97.723%0.23153%0.533CS..EExtended strand (participates in β ladder)trans-125.9143.2177.6-66.2-101.8000112N103 P106 C116 V117 D118 P139 G140N103-Y109 PolarHBondContact ND2-O 2.04Å; P106-Y109 HydrophobicContact CB-CD2 4.11Å; P106-Y109 WeakPolarHBondContact O-CB 3.26Å; P106-Y109 PolarHBondContact O-N 2.87Å; Y109-C116 HydrophobicContact CD1-CB 4.24Å; Y109-C116 HydrophobicContact CG-CB 4.44Å; Y109-V117 CarbonylContact C-O 3.56Å; Y109-V117 VanDerWaalsContact CA-O 3.31Å; Y109-V117 WeakPolarHBondContact CA-O 3.43Å; Y109-D118 HydrophobicContact CD1-CB 4.26Å; Y109-D118 HydrophobicContact CE1-CB 3.96Å; Y109-P139 WeakPolarHBondContact OH-CB 3.38Å; Y109-G140 PolarHBondContact OH-N 2.88Å
110E84.4Confident76.7Confident72 Ų7287.3 Ų87.334%0.33650%0.497SS..EExtended strand (participates in β ladder)trans-113.2144.6177.552.6-172.8142.100112.1Q112 V117 V119 R124E110-Q112 PolarHBondContact O-N 3.12Å; E110-V117 PolarHBondContact N-O 2.83Å; E110-V117 PolarHBondContact O-N 3.43Å; E110-V119 HydrophobicContact CB-CG2 3.82Å; E110-V119 HydrophobicContact CG-CG2 3.62Å; E110-R124 IonicContact OE1-CZ 3.93Å; E110-R124 IonicContact OE1-NH1 2.72Å; E110-R124 PolarHBondContact OE1-NH1 2.89Å; E110-R124 IonicContact OE2-NH1 2.81Å; E110-R124 PolarHBondContact OE2-NH1 2.87Å
111P80.1Confident78.5Confident69 Ų6980.4 Ų80.445%0.44847%0.465SS..EExtended strand (participates in β ladder)trans-81116-17330.6-29.3000110.3N103 P104N103-P111 VanDerWaalsContact OD1-CD 3.27Å; N103-P111 WeakPolarHBondContact OD1-CD 3.36Å; N103-P111 WeakPolarHBondContact OD1-CG 3.48Å; P104-P111 HydrophobicContact CG-CB 4.29Å
112Q82.3Confident80.3Confident131 Ų13177 Ų7761%0.61244%0.443SS*.EExtended strand (participates in β ladder)trans-115.690.5172-166.4173.19.200108.9E110 S115 V117E110-Q112 PolarHBondContact O-N 3.12Å; Q112-S115 CarbonylContact C-O 3.51Å; Q112-S115 PolarHBondContact N-O 3.46Å; Q112-S115 PolarHBondContact O-N 3.41Å; Q112-S115 PolarHBondContact O-OG 2.83Å; Q112-V117 HydrophobicContact CB-CG2 3.99Å
113G79.4Confident82Confident75 Ų7574.8 Ų74.877%0.77344%0.435SS*.THydrogen-bonded Turntrans70.7-126.4-173.500000112.1S115G113-S115 VanDerWaalsContact C-N 3.35Å
114D75.4Confident83.4Confident186 Ų18676.2 Ų76.2100%0.99544%0.435SS*.THydrogen-bonded Turntrans-916.3175.1-80.4-18.3000112.9
115S78.3Confident83.9Confident66 Ų6677.2 Ų77.246%0.46243%0.434SS..EExtended strand (participates in β ladder)trans-120.5144.5-179.159.60000112.4Q112 G113Q112-S115 CarbonylContact C-O 3.51Å; Q112-S115 PolarHBondContact N-O 3.46Å; Q112-S115 PolarHBondContact O-N 3.41Å; Q112-S115 PolarHBondContact O-OG 2.83Å; G113-S115 VanDerWaalsContact C-N 3.35Å
116C85.1Confident84.4Confident58 Ų5881.6 Ų81.639%0.39245%0.453SS..EExtended strand (participates in β ladder)trans-92.6121.6173.1-62.10000109.1C105 Y109C105-C116 WeakPolarHBondContact CA-SG 3.05Å; C105-C116 HydrophobicContact CB-CB 3.75Å; C105-C116 WeakPolarHBondContact CB-SG 3.47Å; C105-C116 WeakPolarHBondContact SG-CA 3.34Å; C105-C116 WeakPolarHBondContact SG-CB 3.23Å; C105-C116 CovalentContact SG-SG 2.04Å; C105-C116 PolarHBondContact SG-SG 2.94Å; Y109-C116 HydrophobicContact CD1-CB 4.24Å; Y109-C116 HydrophobicContact CG-CB 4.44Å
117V87.6Confident84.6Confident59 Ų5979.8 Ų79.836%0.35844%0.437SS..EExtended strand (participates in β ladder)trans-105.6140175.4-179.50000108.3Y109 E110 Q112 V119Y109-V117 CarbonylContact C-O 3.56Å; Y109-V117 VanDerWaalsContact CA-O 3.31Å; Y109-V117 WeakPolarHBondContact CA-O 3.43Å; E110-V117 PolarHBondContact N-O 2.83Å; E110-V117 PolarHBondContact O-N 3.43Å; Q112-V117 HydrophobicContact CB-CG2 3.99Å; V117-V119 PolarHBondContact O-N 2.81Å
118D88.9Confident85Confident41 Ų4178.8 Ų78.822%0.21943%0.433CS..EExtended strand (participates in β ladder)trans-58.6128.5177.6-176.654.9000110.4Y109 N120 N137 P139 G140Y109-D118 HydrophobicContact CD1-CB 4.26Å; Y109-D118 HydrophobicContact CE1-CB 3.96Å; D118-N120 PolarHBondContact O-N 2.79Å; D118-N137 PolarHBondContact OD2-ND2 2.8Å; D118-N137 PolarHBondContact OD2-OD1 2.7Å; D118-P139 WeakPolarHBondContact OD1-CA 3.09Å; D118-G140 PolarHBondContact OD1-N 2.95Å
119V89.3Confident85.3Confident16 Ų1678.4 Ų78.410%0.09743%0.427CS..  trans-74.2120.5174.4177.60000106.7G108 E110 V117 E121 N137G108-V119 WeakPolarHBondContact O-CB 3.3Å; G108-V119 WeakPolarHBondContact O-CG2 3.18Å; G108-V119 PolarHBondContact O-N 3.35Å; E110-V119 HydrophobicContact CB-CG2 3.82Å; E110-V119 HydrophobicContact CG-CG2 3.62Å; V117-V119 PolarHBondContact O-N 2.81Å; V119-E121 HydrophobicContact CG1-CG 4.3Å; V119-E121 VanDerWaalsContact O-CD 3.24Å; V119-E121 PolarHBondContact O-N 2.76Å; V119-E121 VanDerWaalsContact O-N 3.15Å; V119-N137 PolarHBondContact O-OD1 2.88Å
120N89Confident85.4Confident37 Ų3779.8 Ų79.820%0.19844%0.435CS..  trans-83.691173.7-171.3-17.3000109.9D118 C122 E123 R124 N137D118-N120 PolarHBondContact O-N 2.79Å; N120-C122 PolarHBondContact O-N 2.88Å; N120-C122 WeakPolarHBondContact OD1-CB 3.43Å; N120-C122 PolarHBondContact OD1-N 2.91Å; N120-E123 HydrophobicContact CB-CB 4.24Å; N120-E123 HydrophobicContact CB-CG 4.48Å; N120-E123 VanDerWaalsContact ND2-CG 3.3Å; N120-E123 WeakPolarHBondContact ND2-CG 3.31Å; N120-E123 PolarHBondContact ND2-OE1 3.29Å; N120-E123 VanDerWaalsContact ND2-OE1 3.12Å; N120-E123 PolarHBondContact ND2-OE2 2.9Å; N120-E123 PolarHBondContact O-N 2.97Å; N120-E123 PolarHBondContact OD1-N 3.34Å; N120-R124 WeakPolarHBondContact O-CG 3.27Å; N120-R124 PolarHBondContact O-N 3.07Å; N120-N137 WeakPolarHBondContact OD1-CB 3.32Å
121E91.8Very high85.4Confident18 Ų1882.7 Ų82.78%0.08446%0.46CS..THydrogen-bonded Turntrans-63.1-24.4-178.3-57.291.4164.100112.3V119 D125 E126 H127 N137 F142V119-E121 HydrophobicContact CG1-CG 4.3Å; V119-E121 VanDerWaalsContact O-CD 3.24Å; V119-E121 PolarHBondContact O-N 2.76Å; V119-E121 VanDerWaalsContact O-N 3.15Å; E121-D125 PolarHBondContact O-N 3.06Å; E121-E126 HydrophobicContact CB-CB 4.49Å; E121-E126 PolarHBondContact O-N 3.19Å; E121-H127 HydrophobicContact CB-CB 4.48Å; E121-H127 PolarHBondContact O-CD2 2.93Å; E121-N137 PolarHBondContact OE2-OD1 2.82Å; E121-N137 VanDerWaalsContact OE2-OD1 3.12Å; E121-F142 HydrophobicContact CB-CB 4.24Å; E121-F142 HydrophobicContact CB-CD1 3.92Å; E121-F142 HydrophobicContact CB-CG 4.27Å; E121-F142 HydrophobicContact CG-CD1 3.93Å
122C91.3Very high85.6Confident36 Ų3681.8 Ų81.824%0.24346%0.455CS..THydrogen-bonded Turntrans-72.5-33.8176.9-52.20000113.9N120 C135 I136 N137N120-C122 PolarHBondContact O-N 2.88Å; N120-C122 WeakPolarHBondContact OD1-CB 3.43Å; N120-C122 PolarHBondContact OD1-N 2.91Å; C122-C135 WeakPolarHBondContact CA-SG 3.4Å; C122-C135 HydrophobicContact CB-CB 3.75Å; C122-C135 WeakPolarHBondContact CB-SG 3.36Å; C122-C135 WeakPolarHBondContact SG-CB 3.47Å; C122-C135 CovalentContact SG-SG 2.04Å; C122-C135 PolarHBondContact SG-SG 3.22Å; C122-I136 VanDerWaalsContact SG-C 3.57Å; C122-I136 PolarHBondContact SG-N 2.91Å; C122-N137 PolarHBondContact SG-N 2.98Å
123E89.9Confident85.9Confident165 Ų16576.7 Ų76.777%0.77143%0.432SS*.THydrogen-bonded Turntrans-81.9-26.7176.2-77.8176.9-172.200112.3N120N120-E123 HydrophobicContact CB-CB 4.24Å; N120-E123 HydrophobicContact CB-CG 4.48Å; N120-E123 VanDerWaalsContact ND2-CG 3.3Å; N120-E123 WeakPolarHBondContact ND2-CG 3.31Å; N120-E123 PolarHBondContact ND2-OE1 3.29Å; N120-E123 VanDerWaalsContact ND2-OE1 3.12Å; N120-E123 PolarHBondContact ND2-OE2 2.9Å; N120-E123 PolarHBondContact O-N 2.97Å; N120-E123 PolarHBondContact OD1-N 3.34Å
124R87.8Confident86.4Confident107 Ų10778.9 Ų78.940%0.40442%0.421SS..THydrogen-bonded Turntrans-89.9-4.3-178.3-65175.762141.8-1.3113.7E110 N120 E126E110-R124 IonicContact OE1-CZ 3.93Å; E110-R124 IonicContact OE1-NH1 2.72Å; E110-R124 PolarHBondContact OE1-NH1 2.89Å; E110-R124 IonicContact OE2-NH1 2.81Å; E110-R124 PolarHBondContact OE2-NH1 2.87Å; N120-R124 WeakPolarHBondContact O-CG 3.27Å; N120-R124 PolarHBondContact O-N 3.07Å; R124-E126 HydrophobicContact CB-CB 4.29Å; R124-E126 HydrophobicContact CB-CG 3.98Å; R124-E126 IonicContact CZ-OE1 2.78Å; R124-E126 IonicContact CZ-OE2 3.97Å; R124-E126 IonicContact NE-OE1 2.78Å; R124-E126 PolarHBondContact NE-OE1 2.9Å; R124-E126 VanDerWaalsContact NE-OE1 3.12Å; R124-E126 IonicContact NE-OE2 3.5Å; R124-E126 PolarHBondContact NE-OE2 2.99Å; R124-E126 IonicContact NH2-OE1 2.66Å; R124-E126 PolarHBondContact NH2-OE1 2.66Å; R124-E126 IonicContact NH2-OE2 3.6Å; R124-E126 PolarHBondContact O-N 2.85Å
125D82.8Confident87.2Confident133 Ų13371.1 Ų71.171%0.71138%0.382SS*.THydrogen-bonded Turntrans56.529.1-174.1-153.228.6000112E121 H127E121-D125 PolarHBondContact O-N 3.06Å; D125-H127 PolarHBondContact O-N 3.29Å; D125-H127 IonicContact OD1-CE1 3.44Å; D125-H127 IonicContact OD1-NE2 3.85Å
126E85.4Confident87.9Confident109 Ų10970.8 Ų70.851%0.50937%0.374SS..  trans-99.341.9-178.9-72177.4-164.800110.4E121 R124E121-E126 HydrophobicContact CB-CB 4.49Å; E121-E126 PolarHBondContact O-N 3.19Å; R124-E126 HydrophobicContact CB-CB 4.29Å; R124-E126 HydrophobicContact CB-CG 3.98Å; R124-E126 IonicContact CZ-OE1 2.78Å; R124-E126 IonicContact CZ-OE2 3.97Å; R124-E126 IonicContact NE-OE1 2.78Å; R124-E126 PolarHBondContact NE-OE1 2.9Å; R124-E126 VanDerWaalsContact NE-OE1 3.12Å; R124-E126 IonicContact NE-OE2 3.5Å; R124-E126 PolarHBondContact NE-OE2 2.99Å; R124-E126 IonicContact NH2-OE1 2.66Å; R124-E126 PolarHBondContact NH2-OE1 2.66Å; R124-E126 IonicContact NH2-OE2 3.6Å; R124-E126 PolarHBondContact O-N 2.85Å
127H85.2Confident88.2Confident45 Ų4570.2 Ų70.221%0.20837%0.367CS..  trans-128.2151.6-177.363.961.5000113.4E121 D125 C129 C135 F142E121-H127 HydrophobicContact CB-CB 4.48Å; E121-H127 PolarHBondContact O-CD2 2.93Å; D125-H127 PolarHBondContact O-N 3.29Å; D125-H127 IonicContact OD1-CE1 3.44Å; D125-H127 IonicContact OD1-NE2 3.85Å; H127-C129 VanDerWaalsContact C-N 3.33Å; H127-C129 PolarHBondContact ND1-N 3.27Å; H127-C129 PolarHBondContact O-N 3.32Å; H127-C135 PolarHBondContact CD2-SG 2.04Å; H127-F142 HydrophobicContact CB-CD1 4.41Å; H127-F142 HydrophobicContact CB-CD2 3.78Å; H127-F142 HydrophobicContact CB-CE1 4.35Å; H127-F142 HydrophobicContact CB-CE2 3.69Å; H127-F142 HydrophobicContact CB-CG 4.15Å; H127-F142 HydrophobicContact CB-CZ 4Å
128D86.4Confident88.4Confident149 Ų14969.7 Ų69.780%0.79736%0.364SS*.  trans-94.119.3177.5-64.7-35.1000113.3F142D128-F142 HydrophobicContact CB-CZ 4.48Å
129C86.1Confident88.4Confident16 Ų1673.1 Ų73.111%0.10839%0.388CS..  trans-64.6137.3177.6-58.60000111.7H127 Q133 C144H127-C129 VanDerWaalsContact C-N 3.33Å; H127-C129 PolarHBondContact ND1-N 3.27Å; H127-C129 PolarHBondContact O-N 3.32Å; C129-Q133 HydrophobicContact CB-CB 4.46Å; C129-C144 WeakPolarHBondContact CA-SG 3.41Å; C129-C144 HydrophobicContact CB-CB 3.75Å; C129-C144 WeakPolarHBondContact CB-SG 3.41Å; C129-C144 WeakPolarHBondContact SG-CB 3.38Å; C129-C144 CovalentContact SG-SG 2.03Å; C129-C144 PolarHBondContact SG-SG 3.17Å
130Q86.6Confident88.2Confident88 Ų8873.4 Ų73.441%0.41140%0.395SS..  trans-68.5153.6174.6-69.8-67.2-47.300111.1S132 Q133 T155Q130-S132 PolarHBondContact O-N 3.17Å; Q130-Q133 HydrophobicContact CB-CG 4.3Å; Q130-Q133 WeakPolarHBondContact O-CB 3.45Å; Q130-Q133 PolarHBondContact O-N 3.39Å; Q130-T155 WeakPolarHBondContact CG-O 3.21Å
131P85.1Confident88.2Confident133 Ų13373.8 Ų73.886%0.86440%0.403SS*.THydrogen-bonded Turntrans-57.5-22.7-179.7-26.334.6000114.9Q133P131-Q133 VanDerWaalsContact C-N 3.35Å
132S83.6Confident88.1Confident49 Ų4976 Ų7634%0.34341%0.413SS..THydrogen-bonded Turntrans-86.2-1.6176.871.60000114Q130 P147 C157Q130-S132 PolarHBondContact O-N 3.17Å; S132-P147 WeakPolarHBondContact O-CD 3.46Å; S132-C157 PolarHBondContact O-SG 3.29Å; S132-C157 PolarHBondContact OG-N 3.47Å
133Q88.9Confident88.1Confident25 Ų2576.9 Ų76.912%0.11742%0.417CS..SBendtrans-111.1148.3-176.8-67.6169.712.600110.4C129 Q130 P131 C144 Q145 T155 C157C129-Q133 HydrophobicContact CB-CB 4.46Å; Q130-Q133 HydrophobicContact CB-CG 4.3Å; Q130-Q133 WeakPolarHBondContact O-CB 3.45Å; Q130-Q133 PolarHBondContact O-N 3.39Å; P131-Q133 VanDerWaalsContact C-N 3.35Å; Q133-C144 HydrophobicContact CB-CB 4.16Å; Q133-Q145 CarbonylContact C-O 3.27Å; Q133-Q145 WeakPolarHBondContact CA-O 3.34Å; Q133-T155 PolarHBondContact NE2-O 3.4Å; Q133-C157 WeakPolarHBondContact CG-SG 3.47Å
134Q90.7Very high88Confident120 Ų12070.3 Ų70.356%0.56139%0.389SS*.EExtended strand (participates in β ladder)trans-92.2125.2171.2-170.8171.616.700109.6Q145Q134-Q145 PolarHBondContact N-O 3.46Å; Q134-Q145 PolarHBondContact O-N 3.05Å
135C91.5Very high88.2Confident24 Ų2470 Ų7016%0.16239%0.392CS..EExtended strand (participates in β ladder)trans-73.6129.5170.3-1750000109.5C122 H127C122-C135 WeakPolarHBondContact CA-SG 3.4Å; C122-C135 HydrophobicContact CB-CB 3.75Å; C122-C135 WeakPolarHBondContact CB-SG 3.36Å; C122-C135 WeakPolarHBondContact SG-CB 3.47Å; C122-C135 CovalentContact SG-SG 2.04Å; C122-C135 PolarHBondContact SG-SG 3.22Å; H127-C135 PolarHBondContact CD2-SG 2.04Å
136I92.6Very high88.6Confident59 Ų5965 Ų6530%0.30337%0.367SS..EExtended strand (participates in β ladder)trans-123.2116.1174.3-59.7173.2000107.2C122 T143 Q145C122-I136 VanDerWaalsContact SG-C 3.57Å; C122-I136 PolarHBondContact SG-N 2.91Å; I136-T143 HydrophobicContact CB-CG2 3.83Å; I136-T143 HydrophobicContact CG2-CG2 4.24Å; I136-T143 PolarHBondContact N-O 3.49Å; I136-T143 PolarHBondContact O-N 3.07Å; I136-Q145 HydrophobicContact CD1-CB 4Å; I136-Q145 VanDerWaalsContact CD1-CD 3.47Å; I136-Q145 HydrophobicContact CD1-CG 3.89Å
137N92.1Very high88.9Confident46 Ų4662 Ų6225%0.24636%0.357CS..EExtended strand (participates in β ladder)trans-70.7138.2176.7-176.431.1000110.6D118 V119 N120 E121 C122 A141D118-N137 PolarHBondContact OD2-ND2 2.8Å; D118-N137 PolarHBondContact OD2-OD1 2.7Å; V119-N137 PolarHBondContact O-OD1 2.88Å; N120-N137 WeakPolarHBondContact OD1-CB 3.32Å; E121-N137 PolarHBondContact OE2-OD1 2.82Å; E121-N137 VanDerWaalsContact OE2-OD1 3.12Å; C122-N137 PolarHBondContact SG-N 2.98Å; N137-A141 PolarHBondContact OD1-O 3.4Å
138T90.6Very high89.1Confident48 Ų4868.8 Ų68.829%0.29439%0.389SS..EExtended strand (participates in β ladder)trans-132.4153.117859.70000109.9G140 A141 T143T138-G140 PolarHBondContact O-N 2.76Å; T138-A141 CarbonylContact C-O 3.57Å; T138-A141 VanDerWaalsContact C-O 3.27Å; T138-A141 VanDerWaalsContact CA-O 3.28Å; T138-A141 WeakPolarHBondContact CA-O 3.37Å; T138-A141 WeakPolarHBondContact CB-O 3.43Å; T138-A141 PolarHBondContact N-O 3.35Å; T138-A141 CarbonylContact O-C 3.52Å; T138-A141 PolarHBondContact O-N 2.99Å; T138-A141 VanDerWaalsContact OG1-C 3.31Å; T138-A141 PolarHBondContact OG1-O 2.83Å; T138-T143 HydrophobicContact CG2-CG2 4.02Å
139P90.1Very high89.2Confident112 Ų11262.5 Ų62.573%0.72736%0.359SS*.THydrogen-bonded Turntrans-58.1108.3-177.6-26.335.4000112.9Y109 D118Y109-P139 WeakPolarHBondContact OH-CB 3.38Å; D118-P139 WeakPolarHBondContact OD1-CA 3.09Å
140G85.3Confident89.5Confident22 Ų2265 Ų6523%0.22737%0.367CS..THydrogen-bonded Turntrans86.97179.800000116.5Y109 D118 T138Y109-G140 PolarHBondContact OH-N 2.88Å; D118-G140 PolarHBondContact OD1-N 2.95Å; T138-G140 PolarHBondContact O-N 2.76Å
141A89.1Confident89.7Confident45 Ų4567 Ų6737%0.37237%0.371SS..EExtended strand (participates in β ladder)trans-168.8176.3177.800000111.9N137 T138N137-A141 PolarHBondContact OD1-O 3.4Å; T138-A141 CarbonylContact C-O 3.57Å; T138-A141 VanDerWaalsContact C-O 3.27Å; T138-A141 VanDerWaalsContact CA-O 3.28Å; T138-A141 WeakPolarHBondContact CA-O 3.37Å; T138-A141 WeakPolarHBondContact CB-O 3.43Å; T138-A141 PolarHBondContact N-O 3.35Å; T138-A141 CarbonylContact O-C 3.52Å; T138-A141 PolarHBondContact O-N 2.99Å; T138-A141 VanDerWaalsContact OG1-C 3.31Å; T138-A141 PolarHBondContact OG1-O 2.83Å
142F89.9Confident89.9Confident65 Ų6566.7 Ų66.729%0.28536%0.356SS..EExtended strand (participates in β ladder)trans-116.2160.2167.766.5-81.2000112E121 H127 D128E121-F142 HydrophobicContact CB-CB 4.24Å; E121-F142 HydrophobicContact CB-CD1 3.92Å; E121-F142 HydrophobicContact CB-CG 4.27Å; E121-F142 HydrophobicContact CG-CD1 3.93Å; H127-F142 HydrophobicContact CB-CD1 4.41Å; H127-F142 HydrophobicContact CB-CD2 3.78Å; H127-F142 HydrophobicContact CB-CE1 4.35Å; H127-F142 HydrophobicContact CB-CE2 3.69Å; H127-F142 HydrophobicContact CB-CG 4.15Å; H127-F142 HydrophobicContact CB-CZ 4Å; D128-F142 HydrophobicContact CB-CZ 4.48Å
143T89.7Confident90.2Very high54 Ų5467.1 Ų67.133%0.33136%0.356SS..EExtended strand (participates in β ladder)trans-128.9140.5169.4-169.20000111I136 T138 Q145I136-T143 HydrophobicContact CB-CG2 3.83Å; I136-T143 HydrophobicContact CG2-CG2 4.24Å; I136-T143 PolarHBondContact N-O 3.49Å; I136-T143 PolarHBondContact O-N 3.07Å; T138-T143 HydrophobicContact CG2-CG2 4.02Å; T143-Q145 HydrophobicContact CG2-CG 4.35Å
144C89.6Confident90Very high27 Ų2769.1 Ų69.118%0.18238%0.384CS..EExtended strand (participates in β ladder)trans-104.6117.2178.1-46.20000109.5C129 Q133C129-C144 WeakPolarHBondContact CA-SG 3.41Å; C129-C144 HydrophobicContact CB-CB 3.75Å; C129-C144 WeakPolarHBondContact CB-SG 3.41Å; C129-C144 WeakPolarHBondContact SG-CB 3.38Å; C129-C144 CovalentContact SG-SG 2.03Å; C129-C144 PolarHBondContact SG-SG 3.17Å; Q133-C144 HydrophobicContact CB-CB 4.16Å
145Q91.4Very high89.5Confident101 Ų10167.9 Ų67.947%0.47238%0.384SS..EExtended strand (participates in β ladder)trans-116.4150-179.7-63.4-174.120.700110.6Q133 Q134 I136 T143Q133-Q145 CarbonylContact C-O 3.27Å; Q133-Q145 WeakPolarHBondContact CA-O 3.34Å; Q134-Q145 PolarHBondContact N-O 3.46Å; Q134-Q145 PolarHBondContact O-N 3.05Å; I136-Q145 HydrophobicContact CD1-CB 4Å; I136-Q145 VanDerWaalsContact CD1-CD 3.47Å; I136-Q145 HydrophobicContact CD1-CG 3.89Å; T143-Q145 HydrophobicContact CG2-CG 4.35Å
146C91.8Very high89.3Confident27 Ų2772.7 Ų72.718%0.18240%0.404CS..PPolyproline II helixtrans-72.2147170.7-68.60000109.6C157C146-C157 WeakPolarHBondContact CA-SG 3.45Å; C146-C157 HydrophobicContact CB-CB 3.79Å; C146-C157 WeakPolarHBondContact CB-SG 3.38Å; C146-C157 VanDerWaalsContact SG-CA 3.56Å; C146-C157 WeakPolarHBondContact SG-CB 2.96Å; C146-C157 CovalentContact SG-SG 2.04Å; C146-C157 PolarHBondContact SG-SG 2.88Å
147P90.7Very high89.2Confident48 Ų4870.7 Ų70.731%0.31240%0.395SS..PPolyproline II helixtrans-54.5155.4171.3-23.433.1000111.8S132 G149 Y150S132-P147 WeakPolarHBondContact O-CD 3.46Å; P147-G149 PolarHBondContact O-N 3.13Å; P147-Y150 HydrophobicContact CB-CD2 3.99Å; P147-Y150 HydrophobicContact CB-CE2 4.49Å; P147-Y150 WeakPolarHBondContact O-CB 3.43Å; P147-Y150 PolarHBondContact O-N 2.9Å
148E90.3Very high89.1Confident186 Ų18671.9 Ų71.987%0.86940%0.401SS*.THydrogen-bonded Turntrans-49.5134.7171.4-73.9-73.315900110.7Y150E148-Y150 WeakPolarHBondContact O-CD2 3.11Å
149G88.6Confident89.3Confident17 Ų1771.2 Ų71.218%0.17540%0.396CS..THydrogen-bonded Turntrans84.8-0.2-174.500000115.4P147 I160P147-G149 PolarHBondContact O-N 3.13Å; G149-I160 VanDerWaalsContact O-CB 3.28Å; G149-I160 WeakPolarHBondContact O-CB 3.09Å; G149-I160 VanDerWaalsContact O-CG1 3.29Å; G149-I160 WeakPolarHBondContact O-CG1 3.4Å; G149-I160 PolarHBondContact O-N 2.77Å
150Y92.4Very high89.4Confident70 Ų7068.5 Ų68.528%0.27537%0.374SS..EExtended strand (participates in β ladder)trans-119.2146.4177.7-65.5-104.7000111.9P147 E148 C157 I158 D159 P176 G177P147-Y150 HydrophobicContact CB-CD2 3.99Å; P147-Y150 HydrophobicContact CB-CE2 4.49Å; P147-Y150 WeakPolarHBondContact O-CB 3.43Å; P147-Y150 PolarHBondContact O-N 2.9Å; E148-Y150 WeakPolarHBondContact O-CD2 3.11Å; Y150-C157 HydrophobicContact CD1-CB 4.43Å; Y150-I158 WeakPolarHBondContact CA-O 3.45Å; Y150-D159 HydrophobicContact CD1-CB 4.13Å; Y150-D159 VanDerWaalsContact CD1-N 3.35Å; Y150-D159 HydrophobicContact CE1-CB 3.87Å; Y150-P176 VanDerWaalsContact OH-C 3.31Å; Y150-P176 VanDerWaalsContact OH-CB 3.28Å; Y150-P176 WeakPolarHBondContact OH-CB 3.19Å; Y150-G177 PolarHBondContact OH-N 3.12Å
151R90.8Very high89.7Confident128 Ų12869.6 Ų69.648%0.48338%0.375SS..EExtended strand (participates in β ladder)trans-114.7145.4174.964.6-179.1-175.799.48111.2V153 I158 I160R151-V153 HydrophobicContact CG-CG2 4.25Å; R151-V153 PolarHBondContact O-N 2.87Å; R151-I158 PolarHBondContact N-O 2.83Å; R151-I158 PolarHBondContact O-N 3.38Å; R151-I160 HydrophobicContact CB-CD1 4.24Å; R151-I160 HydrophobicContact CB-CG1 3.88Å; R151-I160 HydrophobicContact CG-CG1 4Å
152K89.3Confident89.9Confident127 Ų12768.6 Ų68.655%0.55236%0.363SS*.EExtended strand (participates in β ladder)trans-77.5121.5177.2-169.1172.3-176.3170.70110.7G154K152-G154 WeakPolarHBondContact CE-O 3.37Å
153V88.1Confident90Very high59 Ų5967 Ų6736%0.35836%0.359SS..EExtended strand (participates in β ladder)trans-126.5105.4173.1-176.10000108R151 T155 E156 I158R151-V153 HydrophobicContact CG-CG2 4.25Å; R151-V153 PolarHBondContact O-N 2.87Å; V153-T155 PolarHBondContact O-N 3.5Å; V153-E156 PolarHBondContact N-O 2.75Å; V153-E156 PolarHBondContact O-N 3.01Å; V153-I158 HydrophobicContact CB-CD1 3.69Å; V153-I158 HydrophobicContact CB-CG1 4.2Å; V153-I158 HydrophobicContact CG1-CD1 4.12Å; V153-I158 HydrophobicContact CG2-CB 4.42Å; V153-I158 HydrophobicContact CG2-CD1 3.9Å; V153-I158 HydrophobicContact CG2-CG1 4.27Å
154G85.8Confident89.9Confident67 Ų6773.3 Ų73.369%0.69138%0.377SS*.THydrogen-bonded Turntrans65.7-119.2-168.100000110.9K152K152-G154 WeakPolarHBondContact CE-O 3.37Å
155T81Confident89.8Confident93 Ų9379.8 Ų79.857%0.57140%0.399SS*.THydrogen-bonded Turntrans-100.3-10.2178.250.30000113.7Q130 Q133 V153Q130-T155 WeakPolarHBondContact CG-O 3.21Å; Q133-T155 PolarHBondContact NE2-O 3.4Å; V153-T155 PolarHBondContact O-N 3.5Å
156E85.8Confident89.4Confident125 Ų12586 Ų8658%0.58442%0.418SS*.EExtended strand (participates in β ladder)trans-103.1152.8-175.7-63.9-173.7159.700112.1V153V153-E156 PolarHBondContact N-O 2.75Å; V153-E156 PolarHBondContact O-N 3.01Å
157C90.8Very high89.1Confident17 Ų1790.1 Ų90.112%0.11543%0.43CS..EExtended strand (participates in β ladder)trans-94.8115.6171.2-65.20000109.1S132 Q133 C146 Y150S132-C157 PolarHBondContact O-SG 3.29Å; S132-C157 PolarHBondContact OG-N 3.47Å; Q133-C157 WeakPolarHBondContact CG-SG 3.47Å; C146-C157 WeakPolarHBondContact CA-SG 3.45Å; C146-C157 HydrophobicContact CB-CB 3.79Å; C146-C157 WeakPolarHBondContact CB-SG 3.38Å; C146-C157 VanDerWaalsContact SG-CA 3.56Å; C146-C157 WeakPolarHBondContact SG-CB 2.96Å; C146-C157 CovalentContact SG-SG 2.04Å; C146-C157 PolarHBondContact SG-SG 2.88Å; Y150-C157 HydrophobicContact CD1-CB 4.43Å
158I90.7Very high89.1Confident72 Ų7288.5 Ų88.537%0.36942%0.42SS..EExtended strand (participates in β ladder)trans-106.6136.1178-53.8-177.9000107.8Y150 R151 V153Y150-I158 WeakPolarHBondContact CA-O 3.45Å; R151-I158 PolarHBondContact N-O 2.83Å; R151-I158 PolarHBondContact O-N 3.38Å; V153-I158 HydrophobicContact CB-CD1 3.69Å; V153-I158 HydrophobicContact CB-CG1 4.2Å; V153-I158 HydrophobicContact CG1-CD1 4.12Å; V153-I158 HydrophobicContact CG2-CB 4.42Å; V153-I158 HydrophobicContact CG2-CD1 3.9Å; V153-I158 HydrophobicContact CG2-CG1 4.27Å
159D93.4Very high89.2Confident34 Ų3484 Ų8418%0.18240%0.399CS..EExtended strand (participates in β ladder)trans-52.8137.4175.8-172.957.9000111.8Y150 D161 N174 G177Y150-D159 HydrophobicContact CD1-CB 4.13Å; Y150-D159 VanDerWaalsContact CD1-N 3.35Å; Y150-D159 HydrophobicContact CE1-CB 3.87Å; D159-D161 PolarHBondContact O-N 3.02Å; D159-N174 PolarHBondContact OD2-ND2 3.39Å; D159-G177 PolarHBondContact OD1-N 2.75Å
160I93.3Very high89.3Confident54 Ų5485.3 Ų85.328%0.27740%0.401SS..  trans-81.9113.4175.9-63.1170.7000107.3G149 R151 E162 N174G149-I160 VanDerWaalsContact O-CB 3.28Å; G149-I160 WeakPolarHBondContact O-CB 3.09Å; G149-I160 VanDerWaalsContact O-CG1 3.29Å; G149-I160 WeakPolarHBondContact O-CG1 3.4Å; G149-I160 PolarHBondContact O-N 2.77Å; R151-I160 HydrophobicContact CB-CD1 4.24Å; R151-I160 HydrophobicContact CB-CG1 3.88Å; R151-I160 HydrophobicContact CG-CG1 4Å; I160-E162 HydrophobicContact CG2-CG 4.24Å; I160-E162 PolarHBondContact O-N 3.45Å; I160-N174 PolarHBondContact O-OD1 3.49Å
161D92Very high89.3Confident46 Ų4689.8 Ų89.825%0.24642%0.417CS..  trans-73.687.3174.6-178.1-2.4000110.5D159 C163 R164 N174D159-D161 PolarHBondContact O-N 3.02Å; D161-C163 PolarHBondContact O-N 3.43Å; D161-C163 WeakPolarHBondContact OD1-CB 3.39Å; D161-C163 PolarHBondContact OD1-N 3.09Å; D161-R164 HydrophobicContact CB-CG 4.29Å; D161-R164 PolarHBondContact O-N 3.24Å; D161-R164 WeakPolarHBondContact OD2-CG 3.27Å; D161-R164 IonicContact OD2-CZ 2.64Å; D161-R164 IonicContact OD2-NE 2.87Å; D161-R164 PolarHBondContact OD2-NE 2.94Å; D161-R164 IonicContact OD2-NH2 3.66Å; D161-N174 WeakPolarHBondContact CA-OD1 3.42Å
162E92Very high89.5Confident24 Ų2485.3 Ų85.311%0.11241%0.405CS..G310 helixtrans-66.2-24.4-179.6-57.495.4160.200111.4I160 R164 Y165 Y167 N174 F179I160-E162 HydrophobicContact CG2-CG 4.24Å; I160-E162 PolarHBondContact O-N 3.45Å; E162-R164 PolarHBondContact O-N 3.46Å; E162-Y165 PolarHBondContact O-N 2.82Å; E162-Y167 HydrophobicContact CB-CD2 3.82Å; E162-Y167 HydrophobicContact CB-CE2 4.13Å; E162-Y167 VanDerWaalsContact O-CD2 3.26Å; E162-Y167 WeakPolarHBondContact O-CD2 3.35Å; E162-N174 PolarHBondContact OE2-OD1 3.34Å; E162-F179 HydrophobicContact CB-CB 4.13Å; E162-F179 HydrophobicContact CB-CD1 3.67Å; E162-F179 HydrophobicContact CB-CG 3.96Å; E162-F179 HydrophobicContact CG-CD1 3.84Å
163C91.7Very high89.8Confident31 Ų3181.3 Ų81.321%0.20939%0.391CS..G310 helixtrans-61.6-20.9179.8-64.50000113.7D161 Y165 R166 C172 V173 N174D161-C163 PolarHBondContact O-N 3.43Å; D161-C163 WeakPolarHBondContact OD1-CB 3.39Å; D161-C163 PolarHBondContact OD1-N 3.09Å; C163-Y165 PolarHBondContact O-N 3.23Å; C163-R166 PolarHBondContact O-N 3Å; C163-C172 WeakPolarHBondContact CA-SG 3.24Å; C163-C172 HydrophobicContact CB-CB 3.64Å; C163-C172 WeakPolarHBondContact CB-SG 3.45Å; C163-C172 WeakPolarHBondContact SG-CB 3.49Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.11Å; C163-V173 PolarHBondContact SG-N 2.98Å; C163-N174 PolarHBondContact SG-N 3.39Å
164R89.4Confident90Very high187 Ų18781.3 Ų81.371%0.70639%0.389SS*.G310 helixtrans-63.2-20.4172.1-70.9176-174.5-166.8-5.6113.9D161 E162D161-R164 HydrophobicContact CB-CG 4.29Å; D161-R164 PolarHBondContact O-N 3.24Å; D161-R164 WeakPolarHBondContact OD2-CG 3.27Å; D161-R164 IonicContact OD2-CZ 2.64Å; D161-R164 IonicContact OD2-NE 2.87Å; D161-R164 PolarHBondContact OD2-NE 2.94Å; D161-R164 IonicContact OD2-NH2 3.66Å; E162-R164 PolarHBondContact O-N 3.46Å
165Y86.6Confident90.4Very high163 Ų16380.6 Ų80.664%0.63937%0.371SS*.G310 helixtrans-102.814.1-174.5-58.1-82.3000113.6E162 C163 Y167E162-Y165 PolarHBondContact O-N 2.82Å; C163-Y165 PolarHBondContact O-N 3.23Å; Y165-Y167 VanDerWaalsContact C-N 3.32Å; Y165-Y167 VanDerWaalsContact CB-CE2 3.48Å; Y165-Y167 HydrophobicContact CD2-CE2 4.25Å; Y165-Y167 HydrophobicContact CG-CE2 4.14Å; Y165-Y167 PolarHBondContact O-N 3.44Å
166R82.4Confident90.9Very high230 Ų23081.5 Ų81.587%0.86838%0.379SS*.THydrogen-bonded Turntrans52.644.4177.1-63.6-173.4173.6177.8-3.1113.9C163 C168C163-R166 PolarHBondContact O-N 3Å; R166-C168 VanDerWaalsContact C-N 3.25Å; R166-C168 PolarHBondContact O-N 3.27Å
167Y85.9Confident91.1Very high114 Ų11476.7 Ų76.745%0.44736%0.363SS..  trans-71.6-12.6-179.6-88.7-66.9000115.6E162 Y165 R194E162-Y167 HydrophobicContact CB-CD2 3.82Å; E162-Y167 HydrophobicContact CB-CE2 4.13Å; E162-Y167 VanDerWaalsContact O-CD2 3.26Å; E162-Y167 WeakPolarHBondContact O-CD2 3.35Å; Y165-Y167 VanDerWaalsContact C-N 3.32Å; Y165-Y167 VanDerWaalsContact CB-CE2 3.48Å; Y165-Y167 HydrophobicContact CD2-CE2 4.25Å; Y165-Y167 HydrophobicContact CG-CE2 4.14Å; Y165-Y167 PolarHBondContact O-N 3.44Å; Y167-R194 VanDerWaalsContact CB-NH1 3.31Å
168C91.1Very high91.2Very high15 Ų1578.4 Ų78.410%0.10138%0.375CS..SBendtrans-111.9146.3179.3-57.70000110.3R166 C172 C181R166-C168 VanDerWaalsContact C-N 3.25Å; R166-C168 PolarHBondContact O-N 3.27Å; C168-C172 HydrophobicContact CB-CB 3.98Å; C168-C172 WeakPolarHBondContact SG-CB 3.47Å; C168-C181 VanDerWaalsContact CA-SG 3.5Å; C168-C181 HydrophobicContact CB-CB 3.67Å; C168-C181 WeakPolarHBondContact CB-SG 3.32Å; C168-C181 WeakPolarHBondContact SG-CA 3.38Å; C168-C181 WeakPolarHBondContact SG-CB 3.42Å; C168-C181 CovalentContact SG-SG 2.02Å; C168-C181 PolarHBondContact SG-SG 3.01Å
169Q91.4Very high91.3Very high92 Ų9276.7 Ų76.743%0.4337%0.365SS..SBendtrans-68.2-43.6174.8-177.8178.8-24.300112.2R194 C196Q169-R194 PolarHBondContact N-O 2.84Å; Q169-C196 PolarHBondContact NE2-O 3.32Å; Q169-C196 PolarHBondContact OE1-O 2.78Å
170H92Very high91.3Very high44 Ų4477.7 Ų77.720%0.20437%0.374CS..SBendtrans-107.2-120177.7-64.5169000110Q182 E184 F187 C196H170-Q182 WeakPolarHBondContact CB-O 3.14Å; H170-E184 HydrophobicContact CB-CG 4.29Å; H170-E184 PolarHBondContact ND1-N 2.8Å; H170-F187 AromaticContact CE1-CD1 3.93Å; H170-F187 AromaticContact CE1-CD2 3.76Å; H170-F187 AromaticContact CE1-CG 3.66Å; H170-C196 VanDerWaalsContact CE1-CB 3.45Å; H170-C196 WeakPolarHBondContact CE1-CB 3.44Å; H170-C196 WeakPolarHBondContact ND1-CB 3.36Å; H170-C196 PolarHBondContact ND1-SG 2.99Å
171R92.8Very high91.4Very high164 Ų16475.5 Ų75.562%0.61936%0.364SS*.EExtended strand (participates in β ladder)trans-83.4133.1-174.8-177.4178.5-177.2-179.61.7111.3V173 C181 Q182R171-V173 HydrophobicContact CG-CG2 4.49Å; R171-C181 CarbonylContact O-C 3.18Å; R171-C181 WeakPolarHBondContact O-CA 3.39Å; R171-Q182 HydrophobicContact CB-CB 4.23Å; R171-Q182 PolarHBondContact N-O 2.82Å; R171-Q182 PolarHBondContact O-N 2.96Å
172C94.5Very high91.5Very high33 Ų3377.2 Ų77.222%0.22337%0.371CS..EExtended strand (participates in β ladder)trans-106137.4170.9-172.10000110.5C163 C168C163-C172 WeakPolarHBondContact CA-SG 3.24Å; C163-C172 HydrophobicContact CB-CB 3.64Å; C163-C172 WeakPolarHBondContact CB-SG 3.45Å; C163-C172 WeakPolarHBondContact SG-CB 3.49Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.11Å; C168-C172 HydrophobicContact CB-CB 3.98Å; C168-C172 WeakPolarHBondContact SG-CB 3.47Å
173V94.1Very high91.6Very high44 Ų4477.7 Ų77.727%0.26738%0.376SS..EExtended strand (participates in β ladder)trans-123.6117.9173.7-178.90000108.4C163 R171 V175 F179 S180 Q182C163-V173 PolarHBondContact SG-N 2.98Å; R171-V173 HydrophobicContact CG-CG2 4.49Å; V173-V175 HydrophobicContact CG1-CG1 4.37Å; V173-F179 CarbonylContact O-C 3.51Å; V173-F179 WeakPolarHBondContact O-CA 3.25Å; V173-S180 PolarHBondContact N-O 3.37Å; V173-S180 PolarHBondContact O-N 2.84Å; V173-Q182 HydrophobicContact CG2-CG 4.44Å
174N93.8Very high91.7Very high58 Ų5881.9 Ų81.931%0.3139%0.392SS..EExtended strand (participates in β ladder)trans-74.1130.3176.6-16654.2000109.7D159 I160 D161 E162 C163 S178D159-N174 PolarHBondContact OD2-ND2 3.39Å; I160-N174 PolarHBondContact O-OD1 3.49Å; D161-N174 WeakPolarHBondContact CA-OD1 3.42Å; E162-N174 PolarHBondContact OE2-OD1 3.34Å; C163-N174 PolarHBondContact SG-N 3.39Å; N174-S178 PolarHBondContact OD1-O 2.84Å
175V93.9Very high91.8Very high52 Ų5278.8 Ų78.832%0.31540%0.396SS..EExtended strand (participates in β ladder)trans-128.5150-179.9-64.40000109.5V173 G177 S178V173-V175 HydrophobicContact CG1-CG1 4.37Å; V175-G177 PolarHBondContact O-N 3.05Å; V175-S178 CarbonylContact C-O 3.54Å; V175-S178 VanDerWaalsContact CG2-C 3.49Å; V175-S178 VanDerWaalsContact CG2-O 3.29Å; V175-S178 WeakPolarHBondContact CG2-O 3.37Å; V175-S178 PolarHBondContact N-O 3.48Å; V175-S178 CarbonylContact O-C 3.48Å; V175-S178 PolarHBondContact O-N 3.43Å
176P92.3Very high92Very high113 Ų11372 Ų7273%0.73438%0.376SS*.THydrogen-bonded Turntrans-55.3117.4-177.5-26.635.2000112.8Y150Y150-P176 VanDerWaalsContact OH-C 3.31Å; Y150-P176 VanDerWaalsContact OH-CB 3.28Å; Y150-P176 WeakPolarHBondContact OH-CB 3.19Å
177G89.6Confident92.6Very high24 Ų2462.2 Ų62.225%0.24734%0.34CS..THydrogen-bonded Turntrans82.73-178.700000115.8Y150 D159 V175Y150-G177 PolarHBondContact OH-N 3.12Å; D159-G177 PolarHBondContact OD1-N 2.75Å; V175-G177 PolarHBondContact O-N 3.05Å
178S92.5Very high93Very high53 Ų5361.1 Ų61.137%0.37134%0.339SS..EExtended strand (participates in β ladder)trans-168.7-164.1178.5-1540000113.6N174 V175N174-S178 PolarHBondContact OD1-O 2.84Å; V175-S178 CarbonylContact C-O 3.54Å; V175-S178 VanDerWaalsContact CG2-C 3.49Å; V175-S178 VanDerWaalsContact CG2-O 3.29Å; V175-S178 WeakPolarHBondContact CG2-O 3.37Å; V175-S178 PolarHBondContact N-O 3.48Å; V175-S178 CarbonylContact O-C 3.48Å; V175-S178 PolarHBondContact O-N 3.43Å
179F93.1Very high93.1Very high36 Ų3663.8 Ų63.816%0.15835%0.352CS..EExtended strand (participates in β ladder)trans-138.5158.9172.467.9-74.1000110.3E162 V173 R194E162-F179 HydrophobicContact CB-CB 4.13Å; E162-F179 HydrophobicContact CB-CD1 3.67Å; E162-F179 HydrophobicContact CB-CG 3.96Å; E162-F179 HydrophobicContact CG-CD1 3.84Å; V173-F179 CarbonylContact O-C 3.51Å; V173-F179 WeakPolarHBondContact O-CA 3.25Å; F179-R194 HydrophobicContact CE2-CG 4.48Å
180S92.8Very high93.2Very high54 Ų5460.2 Ų60.238%0.37834%0.338SS..EExtended strand (participates in β ladder)trans-126.6130.7175.2-177.20000110.3V173V173-S180 PolarHBondContact N-O 3.37Å; V173-S180 PolarHBondContact O-N 2.84Å
181C94.8Very high93.2Very high9 Ų962.3 Ų62.36%0.06137%0.372CS..EExtended strand (participates in β ladder)trans-92.9135.9173.8-58.60000110.8C168 R171 L189 N193C168-C181 VanDerWaalsContact CA-SG 3.5Å; C168-C181 HydrophobicContact CB-CB 3.67Å; C168-C181 WeakPolarHBondContact CB-SG 3.32Å; C168-C181 WeakPolarHBondContact SG-CA 3.38Å; C168-C181 WeakPolarHBondContact SG-CB 3.42Å; C168-C181 CovalentContact SG-SG 2.02Å; C168-C181 PolarHBondContact SG-SG 3.01Å; R171-C181 CarbonylContact O-C 3.18Å; R171-C181 WeakPolarHBondContact O-CA 3.39Å; C181-L189 HydrophobicContact CB-CD1 3.91Å; C181-N193 WeakPolarHBondContact CB-O 3.23Å; C181-N193 PolarHBondContact SG-O 2.82Å; C181-N193 VanDerWaalsContact SG-O 3.38Å
182Q94.3Very high93.1Very high82 Ų8258.5 Ų58.538%0.38336%0.363SS..EExtended strand (participates in β ladder)trans-122.7134.1177-63.9179.42.300109.5H170 R171 V173H170-Q182 WeakPolarHBondContact CB-O 3.14Å; R171-Q182 HydrophobicContact CB-CB 4.23Å; R171-Q182 PolarHBondContact N-O 2.82Å; R171-Q182 PolarHBondContact O-N 2.96Å; V173-Q182 HydrophobicContact CG2-CG 4.44Å
183C94.1Very high92.9Very high33 Ų3362 Ų6222%0.22338%0.38CS..PPolyproline II helixtrans-90146.7177.1-60.50000111F187 C196C183-F187 HydrophobicContact CB-CB 3.78Å; C183-C196 WeakPolarHBondContact CA-SG 3.47Å; C183-C196 HydrophobicContact CB-CB 3.84Å; C183-C196 WeakPolarHBondContact CB-SG 3.47Å; C183-C196 VanDerWaalsContact SG-CA 3.53Å; C183-C196 WeakPolarHBondContact SG-CB 3.39Å; C183-C196 CovalentContact SG-SG 2.04Å; C183-C196 PolarHBondContact SG-SG 2.83Å
184E93.9Very high92.7Very high119 Ų11964.1 Ų64.156%0.55638%0.383SS*.PPolyproline II helixtrans-61.8159.8168.7-64.4-174.2166.300111.5H170 F187H170-E184 HydrophobicContact CB-CG 4.29Å; H170-E184 PolarHBondContact ND1-N 2.8Å; E184-F187 HydrophobicContact CB-CD2 4.26Å; E184-F187 WeakPolarHBondContact O-CB 3.36Å; E184-F187 PolarHBondContact O-N 2.95Å; E184-F187 VanDerWaalsContact O-N 3.16Å
185P91.6Very high92.7Very high122 Ų12263.4 Ų63.479%0.79238%0.383SS*.THydrogen-bonded Turntrans-53142.4174-24.434.8000111.9F187P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 WeakPolarHBondContact O-CD2 3.31Å
186G91Very high92.8Very high21 Ų2161.3 Ų61.322%0.21637%0.37CS..THydrogen-bonded Turntrans85.20.2-173.400000114.1V199G186-V199 WeakPolarHBondContact O-CB 3.41Å; G186-V199 PolarHBondContact O-N 2.84Å
187F94.8Very high92.9Very high25 Ų2559.8 Ų59.811%0.1136%0.355CS..EExtended strand (participates in β ladder)trans-129.4151.3178.5-61-91.1000112H170 C183 E184 P185 C196 I197 D198 Y216H170-F187 AromaticContact CE1-CD1 3.93Å; H170-F187 AromaticContact CE1-CD2 3.76Å; H170-F187 AromaticContact CE1-CG 3.66Å; C183-F187 HydrophobicContact CB-CB 3.78Å; E184-F187 HydrophobicContact CB-CD2 4.26Å; E184-F187 WeakPolarHBondContact O-CB 3.36Å; E184-F187 PolarHBondContact O-N 2.95Å; E184-F187 VanDerWaalsContact O-N 3.16Å; P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 WeakPolarHBondContact O-CD2 3.31Å; F187-C196 HydrophobicContact CB-CB 4.09Å; F187-I197 CarbonylContact C-O 3.6Å; F187-I197 VanDerWaalsContact CA-O 3.31Å; F187-I197 WeakPolarHBondContact CA-O 3.49Å; F187-D198 HydrophobicContact CD1-CB 4.25Å; F187-D198 HydrophobicContact CE1-CB 4.03Å; F187-Y216 HydrophobicContact CE1-CD1 4.21Å; F187-Y216 HydrophobicContact CE1-CD2 4.03Å; F187-Y216 AromaticContact CE1-CE1 3.75Å; F187-Y216 HydrophobicContact CE1-CE1 3.75Å; F187-Y216 AromaticContact CE1-CE2 3.56Å; F187-Y216 HydrophobicContact CE1-CE2 3.56Å; F187-Y216 HydrophobicContact CE1-CG 4.34Å; F187-Y216 AromaticContact CE1-CZ 3.38Å; F187-Y216 HydrophobicContact CE2-CE1 4.4Å; F187-Y216 AromaticContact CZ-CD1 3.66Å; F187-Y216 HydrophobicContact CZ-CD1 3.66Å; F187-Y216 HydrophobicContact CZ-CD2 4.28Å; F187-Y216 AromaticContact CZ-CE1 3.33Å; F187-Y216 HydrophobicContact CZ-CE1 3.33Å; F187-Y216 HydrophobicContact CZ-CE2 4.01Å; F187-Y216 HydrophobicContact CZ-CG 4.12Å; F187-Y216 AromaticContact CZ-CZ 3.52Å
188Q94Very high93.2Very high91 Ų9160.7 Ų60.743%0.42535%0.354SS..EExtended strand (participates in β ladder)trans-123151.7174.464.3-179.11.500111.3A190 C196 I197 V199Q188-A190 PolarHBondContact O-N 3.12Å; Q188-C196 WeakPolarHBondContact O-CA 3.45Å; Q188-I197 HydrophobicContact CG-CD1 3.93Å; Q188-I197 HydrophobicContact CG-CG1 3.5Å; Q188-I197 VanDerWaalsContact CG-CG1 3.5Å; Q188-I197 PolarHBondContact N-O 3.07Å; Q188-I197 WeakPolarHBondContact O-CG1 3.26Å; Q188-I197 PolarHBondContact O-N 3.42Å; Q188-V199 HydrophobicContact CB-CG2 3.85Å; Q188-V199 HydrophobicContact CG-CG2 3.84Å
189L94.8Very high93.3Very high70 Ų7059 Ų5937%0.36634%0.342SS..EExtended strand (participates in β ladder)trans-71126.6-178.4-16170.6000109.9C181 N193C181-L189 HydrophobicContact CB-CD1 3.91Å; L189-N193 HydrophobicContact CD2-CB 4.04Å
190A93.1Very high93.4Very high17 Ų1759.6 Ų59.614%0.1435%0.347CS..  trans-69.9163.7176.300000111.1Q188 N192 N193 S195 I197Q188-A190 PolarHBondContact O-N 3.12Å; A190-N192 PolarHBondContact O-N 3.24Å; A190-N193 PolarHBondContact O-N 3.07Å; A190-S195 WeakPolarHBondContact CB-O 3.24Å; A190-S195 PolarHBondContact N-O 3.22Å; A190-I197 HydrophobicContact CB-CG2 4.14Å
191G91.3Very high93.5Very high88 Ų8858.6 Ų58.691%0.90734%0.336SS*.THydrogen-bonded Turntrans-61.3-9.4-178.500000115.7N193G191-N193 VanDerWaalsContact C-N 3.33Å
192N90.8Very high93.5Very high84 Ų8459.7 Ų59.745%0.44934%0.344SS..THydrogen-bonded Turntrans-86.6-0.1172.770.5-5.2000113.7A190 R194 S195A190-N192 PolarHBondContact O-N 3.24Å; N192-R194 WeakPolarHBondContact O-CG 3.47Å; N192-R194 PolarHBondContact O-N 2.81Å; N192-R194 VanDerWaalsContact O-N 3.11Å; N192-R194 PolarHBondContact OD1-N 3.27Å; N192-S195 PolarHBondContact ND2-OG 2.82Å; N192-S195 PolarHBondContact OD1-N 3.14Å
193N90.8Very high93.5Very high107 Ų10762.2 Ų62.257%0.57236%0.36SS*.SBendtrans55.221.7-176.6-68.3-7.4000115.5C181 L189 A190 G191C181-N193 WeakPolarHBondContact CB-O 3.23Å; C181-N193 PolarHBondContact SG-O 2.82Å; C181-N193 VanDerWaalsContact SG-O 3.38Å; L189-N193 HydrophobicContact CD2-CB 4.04Å; A190-N193 PolarHBondContact O-N 3.07Å; G191-N193 VanDerWaalsContact C-N 3.33Å
194R90.6Very high93.3Very high88 Ų8866.8 Ų66.833%0.33238%0.379SS..SBendtrans-133.6-37.2-175-68.2174.3-174.5-84.44.1113.6Y167 Q169 F179 N192Y167-R194 VanDerWaalsContact CB-NH1 3.31Å; Q169-R194 PolarHBondContact N-O 2.84Å; F179-R194 HydrophobicContact CE2-CG 4.48Å; N192-R194 WeakPolarHBondContact O-CG 3.47Å; N192-R194 PolarHBondContact O-N 2.81Å; N192-R194 VanDerWaalsContact O-N 3.11Å; N192-R194 PolarHBondContact OD1-N 3.27Å
195S93.4Very high93Very high43 Ų4364.1 Ų64.130%0.30138%0.384SS..  trans-93.1152.5179.8-57.90000110.8A190 N192A190-S195 WeakPolarHBondContact CB-O 3.24Å; A190-S195 PolarHBondContact N-O 3.22Å; N192-S195 PolarHBondContact ND2-OG 2.82Å; N192-S195 PolarHBondContact OD1-N 3.14Å
196C94.7Very high93Very high8 Ų859.3 Ų59.35%0.05435%0.354CS..EExtended strand (participates in β ladder)trans-113123.8176.5-66.80000108.3Q169 H170 C183 F187 Q188Q169-C196 PolarHBondContact NE2-O 3.32Å; Q169-C196 PolarHBondContact OE1-O 2.78Å; H170-C196 VanDerWaalsContact CE1-CB 3.45Å; H170-C196 WeakPolarHBondContact CE1-CB 3.44Å; H170-C196 WeakPolarHBondContact ND1-CB 3.36Å; H170-C196 PolarHBondContact ND1-SG 2.99Å; C183-C196 WeakPolarHBondContact CA-SG 3.47Å; C183-C196 HydrophobicContact CB-CB 3.84Å; C183-C196 WeakPolarHBondContact CB-SG 3.47Å; C183-C196 VanDerWaalsContact SG-CA 3.53Å; C183-C196 WeakPolarHBondContact SG-CB 3.39Å; C183-C196 CovalentContact SG-SG 2.04Å; C183-C196 PolarHBondContact SG-SG 2.83Å; F187-C196 HydrophobicContact CB-CB 4.09Å; Q188-C196 WeakPolarHBondContact O-CA 3.45Å
197I95Very high93.1Very high82 Ų8262.3 Ų62.342%0.42137%0.37SS..EExtended strand (participates in β ladder)trans-102.4140.4174.257.9174000108.9F187 Q188 A190F187-I197 CarbonylContact C-O 3.6Å; F187-I197 VanDerWaalsContact CA-O 3.31Å; F187-I197 WeakPolarHBondContact CA-O 3.49Å; Q188-I197 HydrophobicContact CG-CD1 3.93Å; Q188-I197 HydrophobicContact CG-CG1 3.5Å; Q188-I197 VanDerWaalsContact CG-CG1 3.5Å; Q188-I197 PolarHBondContact N-O 3.07Å; Q188-I197 WeakPolarHBondContact O-CG1 3.26Å; Q188-I197 PolarHBondContact O-N 3.42Å; A190-I197 HydrophobicContact CB-CG2 4.14Å
198D95.6Very high93Very high42 Ų4262.1 Ų62.123%0.22537%0.371CS..EExtended strand (participates in β ladder)trans-58.1135.3175.6-17363.7000110.6F187 N214 G217F187-D198 HydrophobicContact CD1-CB 4.25Å; F187-D198 HydrophobicContact CE1-CB 4.03Å; D198-N214 PolarHBondContact OD2-ND2 2.85Å; D198-G217 PolarHBondContact OD1-N 3.38Å
199V94.8Very high93.1Very high19 Ų1963.3 Ų63.312%0.11538%0.377CS..PPolyproline II helixtrans-87.6121.7174.6170.60000107.5G186 Q188 E201 M204 N214G186-V199 WeakPolarHBondContact O-CB 3.41Å; G186-V199 PolarHBondContact O-N 2.84Å; Q188-V199 HydrophobicContact CB-CG2 3.85Å; Q188-V199 HydrophobicContact CG-CG2 3.84Å; V199-E201 HydrophobicContact CG1-CG 4.43Å; V199-E201 PolarHBondContact O-N 2.04Å; V199-E201 VanDerWaalsContact O-N 3.08Å; V199-E201 VanDerWaalsContact O-OE2 3.07Å; V199-M204 HydrophobicContact CG1-CE 3.46Å; V199-M204 VanDerWaalsContact CG1-CE 3.46Å; V199-M204 HydrophobicContact CG1-SD 3.46Å; V199-M204 WeakPolarHBondContact CG1-SD 3.43Å; V199-N214 PolarHBondContact O-OD1 3.14Å
200N95.1Very high93.1Very high47 Ų4762.6 Ų62.625%0.25137%0.372SS..  trans-78.595.1173.3-173.4-9.4000110.2C202 D203 M204 N214N200-C202 PolarHBondContact O-N 2.75Å; N200-C202 VanDerWaalsContact OD1-CB 3.25Å; N200-C202 WeakPolarHBondContact OD1-CB 3.31Å; N200-C202 PolarHBondContact OD1-N 2.67Å; N200-D203 HydrophobicContact CB-CB 4.29Å; N200-D203 PolarHBondContact ND2-OD1 2.89Å; N200-D203 PolarHBondContact ND2-OD2 2.84Å; N200-D203 PolarHBondContact O-N 3.26Å; N200-D203 PolarHBondContact OD1-N 3.09Å; N200-M204 PolarHBondContact O-N 2.04Å; N200-N214 WeakPolarHBondContact CA-OD1 3.41Å; N200-N214 WeakPolarHBondContact OD1-CB 3.43Å
201E94.6Very high93.2Very high33 Ų3366 Ų6615%0.15438%0.381CS..THydrogen-bonded Turntrans-65.9-24.8-179.9-60.28817600112.4V199 D203 M204 G205 A206 N214 T218 F219V199-E201 HydrophobicContact CG1-CG 4.43Å; V199-E201 PolarHBondContact O-N 2.04Å; V199-E201 VanDerWaalsContact O-N 3.08Å; V199-E201 VanDerWaalsContact O-OE2 3.07Å; E201-D203 VanDerWaalsContact C-N 3.33Å; E201-D203 PolarHBondContact O-N 2.95Å; E201-M204 CarbonylContact O-C 3.53Å; E201-M204 PolarHBondContact O-N 3.49Å; E201-M204 VanDerWaalsContact O-N 3.14Å; E201-G205 PolarHBondContact O-N 3.12Å; E201-A206 HydrophobicContact CB-CB 4.42Å; E201-A206 WeakPolarHBondContact O-CB 3.39Å; E201-A206 PolarHBondContact O-N 2.66Å; E201-N214 PolarHBondContact OE2-OD1 3.28Å; E201-T218 VanDerWaalsContact OE2-C 3.31Å; E201-F219 HydrophobicContact CB-CB 4.18Å; E201-F219 HydrophobicContact CB-CD1 3.51Å; E201-F219 HydrophobicContact CB-CE1 4.15Å; E201-F219 HydrophobicContact CB-CG 3.96Å; E201-F219 HydrophobicContact CG-CD1 3.75Å; E201-F219 HydrophobicContact CG-CE1 4.32Å
202C94.4Very high93.4Very high33 Ų3363.6 Ų63.622%0.22335%0.35CS..THydrogen-bonded Turntrans-64.3-38.1175.8-570000112N200 M204 G205 C212 Y213 N214N200-C202 PolarHBondContact O-N 2.75Å; N200-C202 VanDerWaalsContact OD1-CB 3.25Å; N200-C202 WeakPolarHBondContact OD1-CB 3.31Å; N200-C202 PolarHBondContact OD1-N 2.67Å; C202-M204 PolarHBondContact O-N 3.39Å; C202-G205 PolarHBondContact O-N 3.31Å; C202-C212 WeakPolarHBondContact CA-SG 3.27Å; C202-C212 HydrophobicContact CB-CB 3.75Å; C202-C212 WeakPolarHBondContact CB-SG 3.46Å; C202-C212 WeakPolarHBondContact SG-CB 3.4Å; C202-C212 CovalentContact SG-SG 2.04Å; C202-C212 PolarHBondContact SG-SG 3Å; C202-Y213 VanDerWaalsContact SG-C 3.51Å; C202-Y213 PolarHBondContact SG-N 3.05Å; C202-N214 PolarHBondContact SG-N 3.13Å; C202-N214 VanDerWaalsContact SG-N 3.35Å
203D95.1Very high93.7Very high134 Ų13464 Ų6472%0.71735%0.345SS*.THydrogen-bonded Turntrans-73.1-21.6176.2-67.2-19000111.9N200 E201 G205N200-D203 HydrophobicContact CB-CB 4.29Å; N200-D203 PolarHBondContact ND2-OD1 2.89Å; N200-D203 PolarHBondContact ND2-OD2 2.84Å; N200-D203 PolarHBondContact O-N 3.26Å; N200-D203 PolarHBondContact OD1-N 3.09Å; E201-D203 VanDerWaalsContact C-N 3.33Å; E201-D203 PolarHBondContact O-N 2.95Å; D203-G205 VanDerWaalsContact C-N 3.34Å
204M89.8Confident93.8Very high130 Ų13061.7 Ų61.764%0.6433%0.333SS*.THydrogen-bonded Turntrans-89.43.1178.3-62.9-169.6177.500113.8V199 N200 E201 C202V199-M204 HydrophobicContact CG1-CE 3.46Å; V199-M204 VanDerWaalsContact CG1-CE 3.46Å; V199-M204 HydrophobicContact CG1-SD 3.46Å; V199-M204 WeakPolarHBondContact CG1-SD 3.43Å; N200-M204 PolarHBondContact O-N 2.04Å; E201-M204 CarbonylContact O-C 3.53Å; E201-M204 PolarHBondContact O-N 3.49Å; E201-M204 VanDerWaalsContact O-N 3.14Å; C202-M204 PolarHBondContact O-N 3.39Å
205G88.8Confident94Very high63 Ų6360.2 Ų60.265%0.64933%0.334SS*.THydrogen-bonded Turntrans84.948.3179.900000113.3E201 C202 D203E201-G205 PolarHBondContact O-N 3.12Å; C202-G205 PolarHBondContact O-N 3.31Å; D203-G205 VanDerWaalsContact C-N 3.34Å
206A91.3Very high94Very high21 Ų2165.8 Ų65.817%0.17435%0.35CS..  trans-47.1145.1171.500000112.3E201 C208 C212 F219E201-A206 HydrophobicContact CB-CB 4.42Å; E201-A206 WeakPolarHBondContact O-CB 3.39Å; E201-A206 PolarHBondContact O-N 2.66Å; A206-C208 PolarHBondContact O-N 3.21Å; A206-C212 VanDerWaalsContact CB-SG 3.5Å; A206-F219 HydrophobicContact CB-CD2 3.75Å; A206-F219 HydrophobicContact CB-CE2 3.73Å; A206-F219 HydrophobicContact CB-CG 4.26Å; A206-F219 HydrophobicContact CB-CZ 4.22Å
207P91.4Very high93.8Very high83 Ų8366.5 Ų66.554%0.53936%0.358SS..SBendtrans-7218.6-174.831.5-38.2000114.8Q209 F219 F234P207-Q209 PolarHBondContact O-N 3.25Å; P207-F219 HydrophobicContact CG-CE2 4.27Å; P207-F219 HydrophobicContact CG-CZ 3.98Å; P207-F234 HydrophobicContact CB-CD1 4.39Å; P207-F234 HydrophobicContact CB-CG 4.4Å; P207-F234 HydrophobicContact CG-CD1 3.67Å; P207-F234 HydrophobicContact CG-CD2 4.44Å; P207-F234 HydrophobicContact CG-CE1 3.71Å; P207-F234 HydrophobicContact CG-CE2 4.46Å; P207-F234 HydrophobicContact CG-CG 4.07Å; P207-F234 HydrophobicContact CG-CZ 4.12Å
208C94Very high93.7Very high21 Ų2166 Ų6614%0.14236%0.359CS..  trans-67.6129.5178.7-58.20000111.2A206 Q210 C212 C221A206-C208 PolarHBondContact O-N 3.21Å; C208-Q210 PolarHBondContact O-N 3.45Å; C208-C212 HydrophobicContact CB-CB 4.06Å; C208-C212 VanDerWaalsContact SG-CB 3.53Å; C208-C212 VanDerWaalsContact SG-SG 3.68Å; C208-C221 WeakPolarHBondContact CA-SG 3.48Å; C208-C221 HydrophobicContact CB-CB 3.7Å; C208-C221 WeakPolarHBondContact CB-SG 3.04Å; C208-C221 WeakPolarHBondContact SG-CA 3.06Å; C208-C221 WeakPolarHBondContact SG-CB 3.39Å; C208-C221 CovalentContact SG-SG 2.02Å; C208-C221 PolarHBondContact SG-SG 3.4Å
209Q95.2Very high93.6Very high116 Ų11666.1 Ų66.154%0.54236%0.358SS..SBendtrans-68-34.6176.8-175.5178.2-14.300113P207 F234 C236P207-Q209 PolarHBondContact O-N 3.25Å; Q209-F234 PolarHBondContact N-O 3.09Å; Q209-F234 VanDerWaalsContact N-O 3.09Å; Q209-C236 PolarHBondContact OE1-O 3.21Å
210Q94.4Very high93.5Very high55 Ų5568.5 Ų68.526%0.25737%0.37SS..SBendtrans-122.3-91.4-175.6-66176.8-2.100111.6C208 C223 C236C208-Q210 PolarHBondContact O-N 3.45Å; Q210-C223 VanDerWaalsContact OE1-CA 3.22Å; Q210-C236 VanDerWaalsContact CD-CB 3.45Å; Q210-C236 HydrophobicContact CG-CB 3.99Å
211R95.7Very high93.6Very high89 Ų8966.4 Ų66.434%0.33636%0.359SS..EExtended strand (participates in β ladder)trans-103.9134.4-176.9-65.2-177.5-78.9136.3-6.1111.7Y213 C221 R222 C223 D224R211-Y213 HydrophobicContact CB-CE2 3.79Å; R211-Y213 PolarHBondContact NH1-OH 3.17Å; R211-C221 CarbonylContact O-C 3.52Å; R211-C221 VanDerWaalsContact O-CA 3.3Å; R211-C221 WeakPolarHBondContact O-CA 3.08Å; R211-R222 WeakPolarHBondContact CB-O 3.39Å; R211-R222 PolarHBondContact N-O 2.76Å; R211-R222 VanDerWaalsContact N-O 3.1Å; R211-R222 PolarHBondContact O-N 2.7Å; R211-C223 PolarHBondContact NH2-O 2.93Å; R211-D224 WeakPolarHBondContact CD-OD1 3.41Å; R211-D224 IonicContact CZ-OD1 2.74Å; R211-D224 IonicContact NE-OD1 3.46Å; R211-D224 PolarHBondContact NE-OD1 2.85Å; R211-D224 IonicContact NH2-OD1 3.99Å
212C96.6Very high93.6Very high37 Ų3771.2 Ų71.225%0.2538%0.376CS..EExtended strand (participates in β ladder)trans-109.3138.1172.4-173.60000110.5C202 A206 C208C202-C212 WeakPolarHBondContact CA-SG 3.27Å; C202-C212 HydrophobicContact CB-CB 3.75Å; C202-C212 WeakPolarHBondContact CB-SG 3.46Å; C202-C212 WeakPolarHBondContact SG-CB 3.4Å; C202-C212 CovalentContact SG-SG 2.04Å; C202-C212 PolarHBondContact SG-SG 3Å; A206-C212 VanDerWaalsContact CB-SG 3.5Å; C208-C212 HydrophobicContact CB-CB 4.06Å; C208-C212 VanDerWaalsContact SG-CB 3.53Å; C208-C212 VanDerWaalsContact SG-SG 3.68Å
213Y95.5Very high93.8Very high92 Ų9270.5 Ų70.536%0.36137%0.371SS..EExtended strand (participates in β ladder)trans-126117.9174.5-67.8-85.9000109.3C202 R211 F219 L220 R222C202-Y213 VanDerWaalsContact SG-C 3.51Å; C202-Y213 PolarHBondContact SG-N 3.05Å; R211-Y213 HydrophobicContact CB-CE2 3.79Å; R211-Y213 PolarHBondContact NH1-OH 3.17Å; Y213-F219 CarbonylContact O-C 3.53Å; Y213-F219 WeakPolarHBondContact O-CA 3.29Å; Y213-L220 PolarHBondContact N-O 2.89Å; Y213-L220 PolarHBondContact O-N 3.41Å; Y213-R222 HydrophobicContact CD2-CB 4.16Å; Y213-R222 HydrophobicContact CD2-CG 3.83Å; Y213-R222 HydrophobicContact CE2-CB 3.85Å; Y213-R222 HydrophobicContact CE2-CG 3.91Å
214N94.8Very high93.8Very high59 Ų5967.6 Ų67.632%0.31636%0.355SS..EExtended strand (participates in β ladder)trans-70.9135.9173.9-167.248.8000110.2D198 V199 N200 E201 C202D198-N214 PolarHBondContact OD2-ND2 2.85Å; V199-N214 PolarHBondContact O-OD1 3.14Å; N200-N214 WeakPolarHBondContact CA-OD1 3.41Å; N200-N214 WeakPolarHBondContact OD1-CB 3.43Å; E201-N214 PolarHBondContact OE2-OD1 3.28Å; C202-N214 PolarHBondContact SG-N 3.13Å; C202-N214 VanDerWaalsContact SG-N 3.35Å
215T93.7Very high94.1Very high57 Ų5770.3 Ų70.335%0.3537%0.366SS..EExtended strand (participates in β ladder)trans-131168.9177.357.30000109.3G217 T218T215-G217 PolarHBondContact O-N 3.28Å; T215-G217 VanDerWaalsContact O-N 3.12Å; T215-T218 CarbonylContact C-O 3.59Å; T215-T218 VanDerWaalsContact CA-O 3.25Å; T215-T218 WeakPolarHBondContact CA-O 3.09Å; T215-T218 WeakPolarHBondContact CB-O 3.46Å; T215-T218 PolarHBondContact N-O 3.06Å; T215-T218 PolarHBondContact O-N 3.48Å; T215-T218 VanDerWaalsContact OG1-C 3.25Å; T215-T218 WeakPolarHBondContact OG1-CG2 3.46Å; T215-T218 PolarHBondContact OG1-O 2.02Å
216Y93.2Very high94.3Very high160 Ų16067.9 Ų67.963%0.62734%0.342SS*.THydrogen-bonded Turntrans-70.2114.8-177.7-171.4-94.8000110.8F187 T218F187-Y216 HydrophobicContact CE1-CD1 4.21Å; F187-Y216 HydrophobicContact CE1-CD2 4.03Å; F187-Y216 AromaticContact CE1-CE1 3.75Å; F187-Y216 HydrophobicContact CE1-CE1 3.75Å; F187-Y216 AromaticContact CE1-CE2 3.56Å; F187-Y216 HydrophobicContact CE1-CE2 3.56Å; F187-Y216 HydrophobicContact CE1-CG 4.34Å; F187-Y216 AromaticContact CE1-CZ 3.38Å; F187-Y216 HydrophobicContact CE2-CE1 4.4Å; F187-Y216 AromaticContact CZ-CD1 3.66Å; F187-Y216 HydrophobicContact CZ-CD1 3.66Å; F187-Y216 HydrophobicContact CZ-CD2 4.28Å; F187-Y216 AromaticContact CZ-CE1 3.33Å; F187-Y216 HydrophobicContact CZ-CE1 3.33Å; F187-Y216 HydrophobicContact CZ-CE2 4.01Å; F187-Y216 HydrophobicContact CZ-CG 4.12Å; F187-Y216 AromaticContact CZ-CZ 3.52Å; Y216-T218 VanDerWaalsContact C-N 3.34Å
217G90.6Very high94.6Very high23 Ų2369.6 Ų69.624%0.23734%0.344CS..THydrogen-bonded Turntrans813.817900000115.6D198 T215D198-G217 PolarHBondContact OD1-N 3.38Å; T215-G217 PolarHBondContact O-N 3.28Å; T215-G217 VanDerWaalsContact O-N 3.12Å
218T92.6Very high94.8Very high72 Ų7270.2 Ų70.244%0.44234%0.34SS..EExtended strand (participates in β ladder)trans-170-177.2-179-1690000110.8E201 T215 Y216E201-T218 VanDerWaalsContact OE2-C 3.31Å; T215-T218 CarbonylContact C-O 3.59Å; T215-T218 VanDerWaalsContact CA-O 3.25Å; T215-T218 WeakPolarHBondContact CA-O 3.09Å; T215-T218 WeakPolarHBondContact CB-O 3.46Å; T215-T218 PolarHBondContact N-O 3.06Å; T215-T218 PolarHBondContact O-N 3.48Å; T215-T218 VanDerWaalsContact OG1-C 3.25Å; T215-T218 WeakPolarHBondContact OG1-CG2 3.46Å; T215-T218 PolarHBondContact OG1-O 2.02Å; Y216-T218 VanDerWaalsContact C-N 3.34Å
219F93.9Very high94.9Very high44 Ų4472.7 Ų72.719%0.19335%0.351CS..EExtended strand (participates in β ladder)trans-127.6164172.567.5-76.7000111.6E201 A206 P207 Y213 F234E201-F219 HydrophobicContact CB-CB 4.18Å; E201-F219 HydrophobicContact CB-CD1 3.51Å; E201-F219 HydrophobicContact CB-CE1 4.15Å; E201-F219 HydrophobicContact CB-CG 3.96Å; E201-F219 HydrophobicContact CG-CD1 3.75Å; E201-F219 HydrophobicContact CG-CE1 4.32Å; A206-F219 HydrophobicContact CB-CD2 3.75Å; A206-F219 HydrophobicContact CB-CE2 3.73Å; A206-F219 HydrophobicContact CB-CG 4.26Å; A206-F219 HydrophobicContact CB-CZ 4.22Å; P207-F219 HydrophobicContact CG-CE2 4.27Å; P207-F219 HydrophobicContact CG-CZ 3.98Å; Y213-F219 CarbonylContact O-C 3.53Å; Y213-F219 WeakPolarHBondContact O-CA 3.29Å; F219-F234 HydrophobicContact CE2-CD1 4.17Å; F219-F234 AromaticContact CE2-CE1 3.69Å; F219-F234 HydrophobicContact CE2-CE1 3.69Å; F219-F234 HydrophobicContact CZ-CD1 4.43Å; F219-F234 AromaticContact CZ-CE1 3.59Å; F219-F234 HydrophobicContact CZ-CE1 3.59Å; F219-F234 HydrophobicContact CZ-CZ 4.33Å
220L93.7Very high94.8Very high70 Ų7067.5 Ų67.537%0.36633%0.328SS..EExtended strand (participates in β ladder)trans-128.9130.1175.1178.266.4000110.2Y213 R222Y213-L220 PolarHBondContact N-O 2.89Å; Y213-L220 PolarHBondContact O-N 3.41Å; L220-R222 HydrophobicContact CD2-CG 4.29Å; L220-R222 HydrophobicContact CG-CG 4.35Å
221C96Very high94.7Very high3 Ų371.7 Ų71.72%0.0236%0.361CS..EExtended strand (participates in β ladder)trans-86.9144.1168.4-52.60000111.1C208 R211 L229 G233 F234C208-C221 WeakPolarHBondContact CA-SG 3.48Å; C208-C221 HydrophobicContact CB-CB 3.7Å; C208-C221 WeakPolarHBondContact CB-SG 3.04Å; C208-C221 WeakPolarHBondContact SG-CA 3.06Å; C208-C221 WeakPolarHBondContact SG-CB 3.39Å; C208-C221 CovalentContact SG-SG 2.02Å; C208-C221 PolarHBondContact SG-SG 3.4Å; R211-C221 CarbonylContact O-C 3.52Å; R211-C221 VanDerWaalsContact O-CA 3.3Å; R211-C221 WeakPolarHBondContact O-CA 3.08Å; C221-L229 HydrophobicContact CB-CD1 4.17Å; C221-G233 WeakPolarHBondContact CB-O 3.02Å; C221-F234 VanDerWaalsContact SG-CD1 3.59Å
222R95.8Very high94.5Very high134 Ų13471.4 Ų71.451%0.50637%0.366SS..EExtended strand (participates in β ladder)trans-134.8148.6170.9-61-172.1176.3-173.8-0.6110.4R211 Y213 L220R211-R222 WeakPolarHBondContact CB-O 3.39Å; R211-R222 PolarHBondContact N-O 2.76Å; R211-R222 VanDerWaalsContact N-O 3.1Å; R211-R222 PolarHBondContact O-N 2.7Å; Y213-R222 HydrophobicContact CD2-CB 4.16Å; Y213-R222 HydrophobicContact CD2-CG 3.83Å; Y213-R222 HydrophobicContact CE2-CB 3.85Å; Y213-R222 HydrophobicContact CE2-CG 3.91Å; L220-R222 HydrophobicContact CD2-CG 4.29Å; L220-R222 HydrophobicContact CG-CG 4.35Å
223C97Very high94.3Very high18 Ų1870.9 Ų70.912%0.12237%0.366CS..PPolyproline II helixtrans-97.9147.3179-53.80000111.5Q210 R211 L229 C236Q210-C223 VanDerWaalsContact OE1-CA 3.22Å; R211-C223 PolarHBondContact NH2-O 2.93Å; C223-L229 VanDerWaalsContact SG-CA 3.58Å; C223-L229 VanDerWaalsContact SG-CD1 3.59Å; C223-C236 WeakPolarHBondContact CA-SG 3.36Å; C223-C236 HydrophobicContact CB-CB 3.69Å; C223-C236 WeakPolarHBondContact CB-SG 3.46Å; C223-C236 WeakPolarHBondContact SG-CA 3.42Å; C223-C236 WeakPolarHBondContact SG-CB 3.4Å; C223-C236 CovalentContact SG-SG 2.03Å; C223-C236 PolarHBondContact SG-SG 2.03Å
224D96.3Very high94.3Very high72 Ų7270.1 Ų70.139%0.38537%0.365SS..PPolyproline II helixtrans-61.8165.3171.6-66.8-25.6000111.3R211 G226 Y227R211-D224 WeakPolarHBondContact CD-OD1 3.41Å; R211-D224 IonicContact CZ-OD1 2.74Å; R211-D224 IonicContact NE-OD1 3.46Å; R211-D224 PolarHBondContact NE-OD1 2.85Å; R211-D224 IonicContact NH2-OD1 3.99Å; D224-G226 PolarHBondContact O-N 2.81Å; D224-Y227 HydrophobicContact CB-CD2 4.34Å; D224-Y227 PolarHBondContact O-N 3.17Å; D224-Y227 VanDerWaalsContact O-N 3.15Å
225Q95.2Very high94.3Very high187 Ų18768.4 Ų68.487%0.87436%0.359SS*.THydrogen-bonded Turntrans-59.4136.8178.2-173.6177.4-2.100110.2
226G94.3Very high94.4Very high13 Ų1365.9 Ų65.913%0.13434%0.344CS..THydrogen-bonded Turntrans88.62.3-175.300000114.2D224 I239D224-G226 PolarHBondContact O-N 2.81Å; G226-I239 WeakPolarHBondContact O-CB 3.44Å; G226-I239 PolarHBondContact O-N 3.42Å
227Y96.8Very high94.5Very high57 Ų5761.9 Ų61.922%0.22433%0.333CS..EExtended strand (participates in β ladder)trans-125.1147.8176.8-64.9-96.5000111.3D224 C236 N237 D238 P257 G258D224-Y227 HydrophobicContact CB-CD2 4.34Å; D224-Y227 PolarHBondContact O-N 3.17Å; D224-Y227 VanDerWaalsContact O-N 3.15Å; Y227-C236 HydrophobicContact CD1-CB 4.39Å; Y227-N237 CarbonylContact C-O 3.56Å; Y227-N237 WeakPolarHBondContact CA-O 3.37Å; Y227-D238 HydrophobicContact CD1-CB 4.26Å; Y227-D238 HydrophobicContact CE1-CB 4.04Å; Y227-P257 VanDerWaalsContact OH-C 3.25Å; Y227-P257 WeakPolarHBondContact OH-CB 3.2Å; Y227-G258 PolarHBondContact OH-N 3.28Å
228E95Very high94.8Very high96 Ų9663.2 Ų63.245%0.44934%0.335SS..EExtended strand (participates in β ladder)trans-111.8146.2172.263173.5-17500111.6G230 C236 N237 I239E228-G230 PolarHBondContact O-N 3.45Å; E228-C236 WeakPolarHBondContact O-CA 3.02Å; E228-N237 HydrophobicContact CG-CB 4.31Å; E228-N237 PolarHBondContact N-O 3.15Å; E228-N237 PolarHBondContact O-N 3.27Å; E228-I239 HydrophobicContact CB-CD1 4.2Å; E228-I239 HydrophobicContact CB-CG1 3.96Å; E228-I239 HydrophobicContact CG-CG1 4.07Å
229L96.1Very high95Very high72 Ų7261.9 Ų61.938%0.37733%0.325SS..EExtended strand (participates in β ladder)trans-74.6125.9179-167.470.7000109.4C221 C223C221-L229 HydrophobicContact CB-CD1 4.17Å; C223-L229 VanDerWaalsContact SG-CA 3.58Å; C223-L229 VanDerWaalsContact SG-CD1 3.59Å
230G93.5Very high95Very high7 Ų762.9 Ų62.97%0.07233%0.332CS..  trans-63.1164.5177.700000112.9E228 D232 G233 A235E228-G230 PolarHBondContact O-N 3.45Å; G230-D232 PolarHBondContact O-N 2.94Å; G230-G233 PolarHBondContact O-N 3.13Å; G230-A235 PolarHBondContact N-O 3.21Å
231P93.2Very high95Very high144 Ų14461.1 Ų61.194%0.93532%0.322SS*.THydrogen-bonded Turntrans-65.9-17.1179.628.3-35.6000113.3
232D91.8Very high94.9Very high82 Ų8262.4 Ų62.444%0.43933%0.33SS..THydrogen-bonded Turntrans-74.4-14.917264.6-20.8000112.8G230 F234 A235G230-D232 PolarHBondContact O-N 2.94Å; D232-F234 HydrophobicContact CB-CD2 4.29Å; D232-F234 WeakPolarHBondContact O-CD2 3.32Å; D232-F234 VanDerWaalsContact O-CE2 3.25Å; D232-F234 WeakPolarHBondContact O-CE2 3.36Å; D232-F234 PolarHBondContact O-N 2.88Å; D232-F234 PolarHBondContact OD1-N 3.45Å; D232-A235 PolarHBondContact OD1-N 3.46Å; D232-A235 VanDerWaalsContact OD1-N 3.13Å; D232-A235 WeakPolarHBondContact OD2-CB 3.19Å; D232-A235 PolarHBondContact OD2-N 2.79Å
233G92.4Very high94.8Very high26 Ų2660 Ų6027%0.26834%0.335SS..SBendtrans76.29-178.100000114C221 G230C221-G233 WeakPolarHBondContact CB-O 3.02Å; G230-G233 PolarHBondContact O-N 3.13Å
234F93.5Very high94.3Very high77 Ų7766.5 Ų66.534%0.33836%0.357SS..SBendtrans-129.3-41.8-172.6-56.6-55.5000113.2P207 Q209 F219 C221 D232P207-F234 HydrophobicContact CB-CD1 4.39Å; P207-F234 HydrophobicContact CB-CG 4.4Å; P207-F234 HydrophobicContact CG-CD1 3.67Å; P207-F234 HydrophobicContact CG-CD2 4.44Å; P207-F234 HydrophobicContact CG-CE1 3.71Å; P207-F234 HydrophobicContact CG-CE2 4.46Å; P207-F234 HydrophobicContact CG-CG 4.07Å; P207-F234 HydrophobicContact CG-CZ 4.12Å; Q209-F234 PolarHBondContact N-O 3.09Å; Q209-F234 VanDerWaalsContact N-O 3.09Å; F219-F234 HydrophobicContact CE2-CD1 4.17Å; F219-F234 AromaticContact CE2-CE1 3.69Å; F219-F234 HydrophobicContact CE2-CE1 3.69Å; F219-F234 HydrophobicContact CZ-CD1 4.43Å; F219-F234 AromaticContact CZ-CE1 3.59Å; F219-F234 HydrophobicContact CZ-CE1 3.59Å; F219-F234 HydrophobicContact CZ-CZ 4.33Å; C221-F234 VanDerWaalsContact SG-CD1 3.59Å; D232-F234 HydrophobicContact CB-CD2 4.29Å; D232-F234 WeakPolarHBondContact O-CD2 3.32Å; D232-F234 VanDerWaalsContact O-CE2 3.25Å; D232-F234 WeakPolarHBondContact O-CE2 3.36Å; D232-F234 PolarHBondContact O-N 2.88Å; D232-F234 PolarHBondContact OD1-N 3.45Å
235A95.2Very high93.7Very high22 Ų2265.1 Ų65.118%0.18235%0.353CS..  trans-76.2147.2178.600000111.3G230 D232G230-A235 PolarHBondContact N-O 3.21Å; D232-A235 PolarHBondContact OD1-N 3.46Å; D232-A235 VanDerWaalsContact OD1-N 3.13Å; D232-A235 WeakPolarHBondContact OD2-CB 3.19Å; D232-A235 PolarHBondContact OD2-N 2.79Å
236C96.9Very high93.1Very high5 Ų561 Ų613%0.03435%0.345CS..EExtended strand (participates in β ladder)trans-116.2107.5174.3-69.50000108.6Q209 Q210 C223 Y227 E228Q209-C236 PolarHBondContact OE1-O 3.21Å; Q210-C236 VanDerWaalsContact CD-CB 3.45Å; Q210-C236 HydrophobicContact CG-CB 3.99Å; C223-C236 WeakPolarHBondContact CA-SG 3.36Å; C223-C236 HydrophobicContact CB-CB 3.69Å; C223-C236 WeakPolarHBondContact CB-SG 3.46Å; C223-C236 WeakPolarHBondContact SG-CA 3.42Å; C223-C236 WeakPolarHBondContact SG-CB 3.4Å; C223-C236 CovalentContact SG-SG 2.03Å; C223-C236 PolarHBondContact SG-SG 2.03Å; Y227-C236 HydrophobicContact CD1-CB 4.39Å; E228-C236 WeakPolarHBondContact O-CA 3.02Å
237N95.4Very high92.7Very high76 Ų7670.1 Ų70.141%0.40638%0.377SS..EExtended strand (participates in β ladder)trans-91.1138.3179.7-61.3-44.7000109.3Y227 E228Y227-N237 CarbonylContact C-O 3.56Å; Y227-N237 WeakPolarHBondContact CA-O 3.37Å; E228-N237 HydrophobicContact CG-CB 4.31Å; E228-N237 PolarHBondContact N-O 3.15Å; E228-N237 PolarHBondContact O-N 3.27Å
238D97Very high92.3Very high50 Ų5069 Ų6927%0.26737%0.374SS..EExtended strand (participates in β ladder)trans-63.2133.9175.1-176.958.8000110.5Y227 D240 N255 P257 G258Y227-D238 HydrophobicContact CD1-CB 4.26Å; Y227-D238 HydrophobicContact CE1-CB 4.04Å; D238-D240 PolarHBondContact O-N 2.87Å; D238-N255 PolarHBondContact OD2-ND2 3.1Å; D238-P257 WeakPolarHBondContact OD1-CA 3.09Å; D238-G258 PolarHBondContact OD1-N 3.49Å
239I95.3Very high92.2Very high44 Ų4464.9 Ų64.923%0.22636%0.357CS..  trans-83.4110.1176.9-62.4172.9000107.3G226 E228 E241 Y244G226-I239 WeakPolarHBondContact O-CB 3.44Å; G226-I239 PolarHBondContact O-N 3.42Å; E228-I239 HydrophobicContact CB-CD1 4.2Å; E228-I239 HydrophobicContact CB-CG1 3.96Å; E228-I239 HydrophobicContact CG-CG1 4.07Å; I239-E241 VanDerWaalsContact C-N 3.35Å; I239-E241 HydrophobicContact CG2-CG 4.33Å; I239-E241 PolarHBondContact O-N 3.27Å; I239-Y244 HydrophobicContact CG2-CD2 4.22Å; I239-Y244 HydrophobicContact CG2-CE2 3.56Å
240D95.1Very high91.9Very high65 Ų6564.6 Ų64.635%0.34835%0.353SS..  trans-73.288.1175.6-176.1-15.3000110.8D238 C242 S243 Y244D238-D240 PolarHBondContact O-N 2.87Å; D240-C242 PolarHBondContact O-N 3.14Å; D240-C242 WeakPolarHBondContact OD1-CB 3.44Å; D240-C242 PolarHBondContact OD1-N 2.68Å; D240-C242 VanDerWaalsContact OD1-N 3.13Å; D240-S243 WeakPolarHBondContact O-CB 3.02Å; D240-S243 PolarHBondContact O-N 2.86Å; D240-S243 VanDerWaalsContact O-N 3.09Å; D240-S243 PolarHBondContact O-OG 2.81Å; D240-S243 PolarHBondContact OD1-N 2.02Å; D240-Y244 WeakPolarHBondContact O-CD2 3.49Å
241E94.1Very high91.8Very high34 Ų3468.1 Ų68.116%0.15937%0.367CS..Hα-helixtrans-62-33-177.2-57.5101.7152.400111.6I239 S243 Y244 L248 N255 K259 F260I239-E241 VanDerWaalsContact C-N 3.35Å; I239-E241 HydrophobicContact CG2-CG 4.33Å; I239-E241 PolarHBondContact O-N 3.27Å; E241-S243 PolarHBondContact O-N 2.72Å; E241-Y244 PolarHBondContact O-N 3.41Å; E241-L248 VanDerWaalsContact C-CD1 3.45Å; E241-L248 HydrophobicContact CB-CD1 3.86Å; E241-L248 WeakPolarHBondContact O-CD1 3.22Å; E241-N255 PolarHBondContact OE2-OD1 3.42Å; E241-K259 VanDerWaalsContact OE2-C 3.3Å; E241-F260 HydrophobicContact CB-CB 4.26Å; E241-F260 HydrophobicContact CB-CD1 3.68Å; E241-F260 HydrophobicContact CB-CE1 4.33Å; E241-F260 HydrophobicContact CB-CG 4.13Å; E241-F260 HydrophobicContact CG-CD1 3.84Å; E241-F260 HydrophobicContact CG-CE1 4.46Å; E241-F260 WeakPolarHBondContact OE2-CB 3Å; E241-F260 PolarHBondContact OE2-N 2.73Å
242C94.2Very high91.8Very high29 Ų2965.8 Ų65.820%0.19634%0.343CS..Hα-helixtrans-64-26.5178.9-58.30000112.9D240 C253 V254 N255D240-C242 PolarHBondContact O-N 3.14Å; D240-C242 WeakPolarHBondContact OD1-CB 3.44Å; D240-C242 PolarHBondContact OD1-N 2.68Å; D240-C242 VanDerWaalsContact OD1-N 3.13Å; C242-C253 WeakPolarHBondContact CA-SG 3.28Å; C242-C253 HydrophobicContact CB-CB 3.74Å; C242-C253 WeakPolarHBondContact CB-SG 3.41Å; C242-C253 WeakPolarHBondContact SG-CB 3.17Å; C242-C253 CovalentContact SG-SG 2.04Å; C242-C253 PolarHBondContact SG-SG 3.46Å; C242-V254 PolarHBondContact SG-N 2.97Å; C242-V254 VanDerWaalsContact SG-N 3.39Å; C242-N255 PolarHBondContact SG-N 2.04Å
243S93.4Very high92Very high85 Ų8563.5 Ų63.559%0.59433%0.333SS*.Hα-helixtrans-75-26.4174.377.70000113.6D240 E241D240-S243 WeakPolarHBondContact O-CB 3.02Å; D240-S243 PolarHBondContact O-N 2.86Å; D240-S243 VanDerWaalsContact O-N 3.09Å; D240-S243 PolarHBondContact O-OG 2.81Å; D240-S243 PolarHBondContact OD1-N 2.02Å; E241-S243 PolarHBondContact O-N 2.72Å
244Y86.8Confident92.1Very high153 Ų15364.2 Ų64.260%0.633%0.332SS*.Hα-helixtrans-78.3-35-177.1-76.5-84.7000113.3I239 D240 E241I239-Y244 HydrophobicContact CG2-CD2 4.22Å; I239-Y244 HydrophobicContact CG2-CE2 3.56Å; D240-Y244 WeakPolarHBondContact O-CD2 3.49Å; E241-Y244 PolarHBondContact O-N 3.41Å
245S83.6Confident92.2Very high43 Ų4363 Ų6330%0.30133%0.329SS..  trans-153.7124.4-177.51770000112.9Y247S245-Y247 PolarHBondContact O-N 3.41Å; S245-Y247 PolarHBondContact OG-N 3.45Å
246S81.7Confident92.2Very high100 Ų10064.9 Ų64.970%0.69933%0.334SS*.THydrogen-bonded Turntrans-68.8-9.4172.657.50000113.9
247Y85.3Confident92.1Very high206 Ų20669.5 Ų69.581%0.80836%0.364SS*.THydrogen-bonded Turntrans-1008.6-176.6-54.9-72.6000113.5S245 C249S245-Y247 PolarHBondContact O-N 3.41Å; S245-Y247 PolarHBondContact OG-N 3.45Å; Y247-C249 VanDerWaalsContact C-N 3.34Å
248L89.6Confident92Very high32 Ų3266.8 Ų66.817%0.16835%0.354CS..SBendtrans-66.5-36.2178.4-78.1168000112.9E241 F260 R274E241-L248 VanDerWaalsContact C-CD1 3.45Å; E241-L248 HydrophobicContact CB-CD1 3.86Å; E241-L248 WeakPolarHBondContact O-CD1 3.22Å; L248-F260 HydrophobicContact CB-CE2 4.02Å; L248-F260 HydrophobicContact CB-CZ 4.41Å; L248-F260 HydrophobicContact CD2-CE1 4.36Å; L248-F260 HydrophobicContact CD2-CE2 4.35Å; L248-F260 HydrophobicContact CD2-CZ 3.88Å; L248-R274 WeakPolarHBondContact O-CD 3.3Å; L248-R274 VanDerWaalsContact O-CG 3.3Å; L248-R274 WeakPolarHBondContact O-CG 3.2Å
249C92.3Very high91.9Very high11 Ų1169.8 Ų69.87%0.07437%0.365CS..SBendtrans-121.3148.6-180-60.70000109.4Y247 F251 C253 C262Y247-C249 VanDerWaalsContact C-N 3.34Å; C249-F251 VanDerWaalsContact C-N 3.28Å; C249-F251 PolarHBondContact O-N 3.4Å; C249-C253 HydrophobicContact CB-CB 4.2Å; C249-C253 VanDerWaalsContact SG-CA 3.52Å; C249-C253 VanDerWaalsContact SG-CB 3.59Å; C249-C262 WeakPolarHBondContact CA-SG 3.38Å; C249-C262 HydrophobicContact CB-CB 3.63Å; C249-C262 WeakPolarHBondContact CB-SG 3.25Å; C249-C262 WeakPolarHBondContact SG-CA 3.38Å; C249-C262 WeakPolarHBondContact SG-CB 3.39Å; C249-C262 CovalentContact SG-SG 2.02Å; C249-C262 PolarHBondContact SG-SG 3.4Å
250Q90.7Very high91.8Very high66 Ų6670 Ų7031%0.30837%0.365SS..SBendtrans-68.7-28.8177.9-161.2179.6400112.5R274 L275 C276 F438Q250-R274 VanDerWaalsContact CB-O 3.32Å; Q250-R274 WeakPolarHBondContact CB-O 3.35Å; Q250-R274 PolarHBondContact N-O 3.21Å; Q250-L275 HydrophobicContact CB-CD2 4.41Å; Q250-L275 HydrophobicContact CG-CD2 4.5Å; Q250-L275 VanDerWaalsContact OE1-CA 3.22Å; Q250-C276 PolarHBondContact OE1-O 3.08Å; Q250-F438 HydrophobicContact CB-CD1 4.38Å; Q250-F438 VanDerWaalsContact CD-CD1 3.42Å; Q250-F438 HydrophobicContact CG-CD1 3.46Å; Q250-F438 VanDerWaalsContact CG-CD1 3.46Å; Q250-F438 HydrophobicContact CG-CE1 3.89Å; Q250-F438 HydrophobicContact CG-CG 4.37Å; Q250-F438 VanDerWaalsContact NE2-CA 3.26Å; Q250-F438 PolarHBondContact NE2-OXT 2.82Å; Q250-F438 VanDerWaalsContact NE2-OXT 3.12Å; Q250-F438 WeakPolarHBondContact O-CE1 3.36Å
251F91.5Very high91.8Very high80 Ų8068.5 Ų68.535%0.35136%0.359SS..SBendtrans-121.6-80.8176.9-177-118.2000113.1C249 Q263 P265 Y436 F438C249-F251 VanDerWaalsContact C-N 3.28Å; C249-F251 PolarHBondContact O-N 3.4Å; F251-Q263 WeakPolarHBondContact CD1-O 3.39Å; F251-P265 HydrophobicContact CD1-CB 4.13Å; F251-P265 VanDerWaalsContact CD1-CD 3.47Å; F251-P265 HydrophobicContact CD1-CG 4.02Å; F251-P265 HydrophobicContact CD2-CG 4.37Å; F251-P265 HydrophobicContact CE1-CB 3.77Å; F251-P265 HydrophobicContact CE1-CG 4.12Å; F251-P265 HydrophobicContact CE2-CG 4.46Å; F251-P265 HydrophobicContact CG-CG 4.13Å; F251-P265 HydrophobicContact CZ-CB 4.01Å; F251-P265 HydrophobicContact CZ-CG 4.33Å; F251-Y436 HydrophobicContact CD2-CD1 4.28Å; F251-Y436 HydrophobicContact CD2-CE1 4.06Å; F251-Y436 HydrophobicContact CE2-CD1 4.04Å; F251-Y436 AromaticContact CE2-CE1 3.38Å; F251-Y436 HydrophobicContact CE2-CE1 3.38Å; F251-Y436 AromaticContact CE2-CZ 3.81Å; F251-Y436 HydrophobicContact CZ-CE1 4.06Å; F251-F438 HydrophobicContact CB-CE1 4.1Å; F251-F438 HydrophobicContact CB-CE2 4.35Å; F251-F438 HydrophobicContact CB-CZ 3.59Å; F251-F438 AromaticContact CD2-CZ 3.68Å; F251-F438 HydrophobicContact CD2-CZ 3.68Å; F251-F438 AromaticContact CG-CZ 3.89Å; F251-F438 HydrophobicContact CG-CZ 3.89Å
252Q92.8Very high91.9Very high95 Ų9567.4 Ų67.444%0.44436%0.355SS..EExtended strand (participates in β ladder)trans-123.5129.2-174.9-175.8174.2-6.800110.9V254 C262 Q263Q252-V254 HydrophobicContact CG-CG2 4.38Å; Q252-C262 CarbonylContact O-C 3.59Å; Q252-C262 WeakPolarHBondContact O-CA 2.98Å; Q252-Q263 HydrophobicContact CB-CB 4.44Å; Q252-Q263 PolarHBondContact N-O 2.87Å; Q252-Q263 PolarHBondContact O-N 2.86Å
253C95.4Very high91.9Very high34 Ų3470.5 Ų70.523%0.2337%0.367CS..EExtended strand (participates in β ladder)trans-93.6137.1170.9-172.20000109.8C242 C249C242-C253 WeakPolarHBondContact CA-SG 3.28Å; C242-C253 HydrophobicContact CB-CB 3.74Å; C242-C253 WeakPolarHBondContact CB-SG 3.41Å; C242-C253 WeakPolarHBondContact SG-CB 3.17Å; C242-C253 CovalentContact SG-SG 2.04Å; C242-C253 PolarHBondContact SG-SG 3.46Å; C249-C253 HydrophobicContact CB-CB 4.2Å; C249-C253 VanDerWaalsContact SG-CA 3.52Å; C249-C253 VanDerWaalsContact SG-CB 3.59Å
254V94.9Very high91.9Very high41 Ų4168 Ų6825%0.24835%0.348CS..EExtended strand (participates in β ladder)trans-126.9117.7174179.40000108.7C242 Q252 F260 S261 Q263C242-V254 PolarHBondContact SG-N 2.97Å; C242-V254 VanDerWaalsContact SG-N 3.39Å; Q252-V254 HydrophobicContact CG-CG2 4.38Å; V254-F260 WeakPolarHBondContact O-CA 3.44Å; V254-S261 PolarHBondContact N-O 3.34Å; V254-S261 PolarHBondContact O-N 3.17Å; V254-Q263 HydrophobicContact CG2-CG 3.94Å
255N95Very high92.3Very high51 Ų5161.2 Ų61.227%0.27332%0.323SS..EExtended strand (participates in β ladder)trans-73.9133.2177.5-171.744000110.2D238 E241 C242D238-N255 PolarHBondContact OD2-ND2 3.1Å; E241-N255 PolarHBondContact OE2-OD1 3.42Å; C242-N255 PolarHBondContact SG-N 2.04Å
256E94.8Very high92.6Very high62 Ų6268.2 Ų68.229%0.2935%0.351SS..EExtended strand (participates in β ladder)trans-128.5159.2177-52.9-176.8111.300109.4G258 K259E256-G258 PolarHBondContact O-N 3.35Å; E256-K259 CarbonylContact C-O 3.51Å; E256-K259 VanDerWaalsContact CA-O 3.22Å; E256-K259 WeakPolarHBondContact CA-O 3.07Å; E256-K259 HydrophobicContact CB-CG 4.15Å; E256-K259 VanDerWaalsContact CB-O 3.28Å; E256-K259 WeakPolarHBondContact CB-O 3.44Å; E256-K259 PolarHBondContact N-O 2.82Å; E256-K259 CarbonylContact O-C 3.59Å; E256-K259 PolarHBondContact O-N 3.47Å; E256-K259 IonicContact OE1-NZ 3.12Å; E256-K259 WeakPolarHBondContact OE2-CE 2.95Å; E256-K259 IonicContact OE2-NZ 3.47Å; E256-K259 PolarHBondContact OE2-NZ 3.06Å
257P95Very high93.1Very high102 Ų10264.1 Ų64.166%0.66233%0.325SS*.THydrogen-bonded Turntrans-61.2114.2178.6-25.135.3000112.8Y227 D238Y227-P257 VanDerWaalsContact OH-C 3.25Å; Y227-P257 WeakPolarHBondContact OH-CB 3.2Å; D238-P257 WeakPolarHBondContact OD1-CA 3.09Å
258G93.9Very high93.5Very high19 Ų1955 Ų5520%0.19629%0.289CS..THydrogen-bonded Turntrans83.54.2177.800000115.4Y227 D238 E256Y227-G258 PolarHBondContact OH-N 3.28Å; D238-G258 PolarHBondContact OD1-N 3.49Å; E256-G258 PolarHBondContact O-N 3.35Å
259K94.1Very high93.7Very high114 Ų11458.3 Ų58.350%0.49630%0.304SS..EExtended strand (participates in β ladder)trans-168.9167.8-177.660.9176.9176.61260110.8E241 E256E241-K259 VanDerWaalsContact OE2-C 3.3Å; E256-K259 CarbonylContact C-O 3.51Å; E256-K259 VanDerWaalsContact CA-O 3.22Å; E256-K259 WeakPolarHBondContact CA-O 3.07Å; E256-K259 HydrophobicContact CB-CG 4.15Å; E256-K259 VanDerWaalsContact CB-O 3.28Å; E256-K259 WeakPolarHBondContact CB-O 3.44Å; E256-K259 PolarHBondContact N-O 2.82Å; E256-K259 CarbonylContact O-C 3.59Å; E256-K259 PolarHBondContact O-N 3.47Å; E256-K259 IonicContact OE1-NZ 3.12Å; E256-K259 WeakPolarHBondContact OE2-CE 2.95Å; E256-K259 IonicContact OE2-NZ 3.47Å; E256-K259 PolarHBondContact OE2-NZ 3.06Å
260F94.6Very high93.8Very high49 Ų4961.3 Ų61.322%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-112.9161.416468.7-77000112.1E241 L248 V254E241-F260 HydrophobicContact CB-CB 4.26Å; E241-F260 HydrophobicContact CB-CD1 3.68Å; E241-F260 HydrophobicContact CB-CE1 4.33Å; E241-F260 HydrophobicContact CB-CG 4.13Å; E241-F260 HydrophobicContact CG-CD1 3.84Å; E241-F260 HydrophobicContact CG-CE1 4.46Å; E241-F260 WeakPolarHBondContact OE2-CB 3Å; E241-F260 PolarHBondContact OE2-N 2.73Å; L248-F260 HydrophobicContact CB-CE2 4.02Å; L248-F260 HydrophobicContact CB-CZ 4.41Å; L248-F260 HydrophobicContact CD2-CE1 4.36Å; L248-F260 HydrophobicContact CD2-CE2 4.35Å; L248-F260 HydrophobicContact CD2-CZ 3.88Å; V254-F260 WeakPolarHBondContact O-CA 3.44Å
261S94Very high93.9Very high32 Ų3262.4 Ų62.422%0.22433%0.326CS..EExtended strand (participates in β ladder)trans-126.7151.4168.865.10000111V254V254-S261 PolarHBondContact N-O 3.34Å; V254-S261 PolarHBondContact O-N 3.17Å
262C95.6Very high93.8Very high11 Ų1161.7 Ų61.77%0.07434%0.342CS..EExtended strand (participates in β ladder)trans-102.4135.3174.6-61.60000109.8C249 Q252 L270 T273C249-C262 WeakPolarHBondContact CA-SG 3.38Å; C249-C262 HydrophobicContact CB-CB 3.63Å; C249-C262 WeakPolarHBondContact CB-SG 3.25Å; C249-C262 WeakPolarHBondContact SG-CA 3.38Å; C249-C262 WeakPolarHBondContact SG-CB 3.39Å; C249-C262 CovalentContact SG-SG 2.02Å; C249-C262 PolarHBondContact SG-SG 3.4Å; Q252-C262 CarbonylContact O-C 3.59Å; Q252-C262 WeakPolarHBondContact O-CA 2.98Å; C262-L270 HydrophobicContact CB-CD1 3.79Å; C262-T273 PolarHBondContact SG-O 2.66Å; C262-T273 VanDerWaalsContact SG-O 3.38Å
263Q94.9Very high93.7Very high95 Ų9562.2 Ų62.244%0.44435%0.351SS..EExtended strand (participates in β ladder)trans-112.5135.8175.5-64.6-173.6900109.6F251 Q252 V254F251-Q263 WeakPolarHBondContact CD1-O 3.39Å; Q252-Q263 HydrophobicContact CB-CB 4.44Å; Q252-Q263 PolarHBondContact N-O 2.87Å; Q252-Q263 PolarHBondContact O-N 2.86Å; V254-Q263 HydrophobicContact CG2-CG 3.94Å
264C94.5Very high93.6Very high31 Ų3166.4 Ų66.421%0.20936%0.362CS..PPolyproline II helixtrans-97.1152.5174.3-65.40000109.9C276C264-C276 WeakPolarHBondContact CA-SG 3.02Å; C264-C276 HydrophobicContact CB-CB 3.84Å; C264-C276 WeakPolarHBondContact CB-SG 3.4Å; C264-C276 WeakPolarHBondContact SG-CA 3.33Å; C264-C276 WeakPolarHBondContact SG-CB 3.08Å; C264-C276 CovalentContact SG-SG 2.04Å; C264-C276 PolarHBondContact SG-SG 3.41Å
265P93.4Very high93.4Very high12 Ų1269 Ų698%0.07837%0.374CS..PPolyproline II helixtrans-69.4169.1175.625.7-24.4000111F251 Y268 Y436 F438F251-P265 HydrophobicContact CD1-CB 4.13Å; F251-P265 VanDerWaalsContact CD1-CD 3.47Å; F251-P265 HydrophobicContact CD1-CG 4.02Å; F251-P265 HydrophobicContact CD2-CG 4.37Å; F251-P265 HydrophobicContact CE1-CB 3.77Å; F251-P265 HydrophobicContact CE1-CG 4.12Å; F251-P265 HydrophobicContact CE2-CG 4.46Å; F251-P265 HydrophobicContact CG-CG 4.13Å; F251-P265 HydrophobicContact CZ-CB 4.01Å; F251-P265 HydrophobicContact CZ-CG 4.33Å; P265-Y268 HydrophobicContact CG-CD2 3.76Å; P265-Y268 HydrophobicContact CG-CE2 4.31Å; P265-Y268 HydrophobicContact CG-CG 4.3Å; P265-Y268 WeakPolarHBondContact O-CB 3.08Å; P265-Y268 PolarHBondContact O-N 3.12Å; P265-Y268 VanDerWaalsContact O-N 3.09Å; P265-Y436 HydrophobicContact CB-CD2 4.07Å; P265-Y436 HydrophobicContact CB-CE2 3.44Å; P265-Y436 VanDerWaalsContact CB-CE2 3.44Å; P265-Y436 HydrophobicContact CG-CD2 3.51Å; P265-Y436 HydrophobicContact CG-CE2 3.42Å; P265-Y436 VanDerWaalsContact CG-CE2 3.42Å; P265-Y436 HydrophobicContact CG-CG 4.15Å; P265-F438 HydrophobicContact CG-CE2 3.53Å; P265-F438 HydrophobicContact CG-CZ 4.2Å
266E91.7Very high93.4Very high190 Ų19066.8 Ų66.889%0.88836%0.363SS*.THydrogen-bonded Turntrans-56.1139.9176.6-167.1176.1-17900111.4Y268E266-Y268 VanDerWaalsContact C-N 3.27Å; E266-Y268 WeakPolarHBondContact O-CD2 3.3Å; E266-Y268 PolarHBondContact O-N 2.82Å
267G91.1Very high93.3Very high14 Ų1468.2 Ų68.214%0.14437%0.369CS..THydrogen-bonded Turntrans81.2-0-173.400000114.7I279G267-I279 WeakPolarHBondContact O-CB 3.48Å; G267-I279 PolarHBondContact O-N 3.31Å
268Y93.4Very high93.2Very high14 Ų1464.7 Ų64.76%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-124.3145.1176.9-63.4-99000111.6P265 E266 Q277 D278 G300 Y436 F438P265-Y268 HydrophobicContact CG-CD2 3.76Å; P265-Y268 HydrophobicContact CG-CE2 4.31Å; P265-Y268 HydrophobicContact CG-CG 4.3Å; P265-Y268 WeakPolarHBondContact O-CB 3.08Å; P265-Y268 PolarHBondContact O-N 3.12Å; P265-Y268 VanDerWaalsContact O-N 3.09Å; E266-Y268 VanDerWaalsContact C-N 3.27Å; E266-Y268 WeakPolarHBondContact O-CD2 3.3Å; E266-Y268 PolarHBondContact O-N 2.82Å; Y268-Q277 CarbonylContact C-O 3.42Å; Y268-Q277 VanDerWaalsContact CA-O 3.29Å; Y268-Q277 WeakPolarHBondContact CA-O 3.25Å; Y268-D278 HydrophobicContact CD1-CB 4.29Å; Y268-D278 HydrophobicContact CE1-CB 4.09Å; Y268-G300 PolarHBondContact OH-N 2.72Å; Y268-Y436 AromaticContact CE2-CD2 3.88Å; Y268-Y436 HydrophobicContact CE2-CD2 3.88Å; Y268-F438 AromaticContact CD1-CD2 3.68Å; Y268-F438 HydrophobicContact CD1-CD2 3.68Å; Y268-F438 HydrophobicContact CD1-CE2 4.45Å; Y268-F438 HydrophobicContact CE1-CB 4.42Å; Y268-F438 AromaticContact CE1-CD2 3.69Å; Y268-F438 HydrophobicContact CE1-CD2 3.69Å; Y268-F438 HydrophobicContact CG-CD2 4.16Å
269Q93.4Very high93.2Very high102 Ų10265.5 Ų65.548%0.47735%0.345SS..EExtended strand (participates in β ladder)trans-113.815217560.8179.4-16.800111.5L271 C276 Q277 I279Q269-L271 PolarHBondContact O-N 3.16Å; Q269-C276 WeakPolarHBondContact O-CA 3.41Å; Q269-Q277 PolarHBondContact N-O 2.73Å; Q269-Q277 PolarHBondContact O-N 3.32Å; Q269-I279 HydrophobicContact CB-CD1 4.13Å; Q269-I279 HydrophobicContact CB-CG1 3.88Å; Q269-I279 HydrophobicContact CG-CG1 3.88Å
270L94.9Very high93.2Very high73 Ų7361.9 Ų61.938%0.38233%0.331SS..EExtended strand (participates in β ladder)trans-74.2113.6178.2-166.274.7000110.1C262 L275C262-L270 HydrophobicContact CB-CD1 3.79Å; L270-L275 CarbonylContact C-O 3.58Å; L270-L275 WeakPolarHBondContact CA-O 3.06Å; L270-L275 WeakPolarHBondContact CD1-O 3.44Å
271L93Very high93.2Very high89 Ų8960.6 Ų60.647%0.46633%0.325SS..EExtended strand (participates in β ladder)trans-90110.3171.5-175.666000109.4Q269 T273 L275 Q277Q269-L271 PolarHBondContact O-N 3.16Å; L271-T273 PolarHBondContact O-N 3.33Å; L271-L275 HydrophobicContact CB-CB 4.4Å; L271-L275 PolarHBondContact N-O 2.89Å; L271-Q277 HydrophobicContact CB-CB 4.04Å; L271-Q277 HydrophobicContact CD2-CB 4.41Å
272G90Very high93.2Very high66 Ų6660.9 Ų60.968%0.6833%0.327SS*.THydrogen-bonded Turntrans74-122.3-17300000111
273T90.1Very high93.2Very high106 Ų10668 Ų6865%0.6536%0.359SS*.THydrogen-bonded Turntrans-119.6-11.8-176.454.60000114.7C262 L271C262-T273 PolarHBondContact SG-O 2.66Å; C262-T273 VanDerWaalsContact SG-O 3.38Å; L271-T273 PolarHBondContact O-N 3.33Å
274R92.6Very high93.1Very high122 Ų12267.2 Ų67.246%0.4636%0.361SS..THydrogen-bonded Turntrans-141.1-19.3-168.5-64.7177.3-179.4178.71.7115.4L248 Q250L248-R274 WeakPolarHBondContact O-CD 3.3Å; L248-R274 VanDerWaalsContact O-CG 3.3Å; L248-R274 WeakPolarHBondContact O-CG 3.2Å; Q250-R274 VanDerWaalsContact CB-O 3.32Å; Q250-R274 WeakPolarHBondContact CB-O 3.35Å; Q250-R274 PolarHBondContact N-O 3.21Å
275L92.4Very high92.8Very high94 Ų9468.2 Ų68.249%0.49238%0.376SS..EExtended strand (participates in β ladder)trans-100.6148.5-174.4-59.7175.7000110.2Q250 L270 L271Q250-L275 HydrophobicContact CB-CD2 4.41Å; Q250-L275 HydrophobicContact CG-CD2 4.5Å; Q250-L275 VanDerWaalsContact OE1-CA 3.22Å; L270-L275 CarbonylContact C-O 3.58Å; L270-L275 WeakPolarHBondContact CA-O 3.06Å; L270-L275 WeakPolarHBondContact CD1-O 3.44Å; L271-L275 HydrophobicContact CB-CB 4.4Å; L271-L275 PolarHBondContact N-O 2.89Å
276C93.9Very high92.7Very high6 Ų674 Ų744%0.04140%0.402CS..EExtended strand (participates in β ladder)trans-107.1135.2175.3-64.20000109.1Q250 C264 Q269 F438Q250-C276 PolarHBondContact OE1-O 3.08Å; C264-C276 WeakPolarHBondContact CA-SG 3.02Å; C264-C276 HydrophobicContact CB-CB 3.84Å; C264-C276 WeakPolarHBondContact CB-SG 3.4Å; C264-C276 WeakPolarHBondContact SG-CA 3.33Å; C264-C276 WeakPolarHBondContact SG-CB 3.08Å; C264-C276 CovalentContact SG-SG 2.04Å; C264-C276 PolarHBondContact SG-SG 3.41Å; Q269-C276 WeakPolarHBondContact O-CA 3.41Å; C276-F438 HydrophobicContact CB-CB 4.23Å; C276-F438 HydrophobicContact CB-CD1 4.49Å; C276-F438 HydrophobicContact CB-CD2 3.64Å; C276-F438 HydrophobicContact CB-CE2 4.11Å; C276-F438 HydrophobicContact CB-CG 3.86Å; C276-F438 WeakPolarHBondContact O-CB 3.45Å
277Q92.4Very high92.7Very high91 Ų9168.1 Ų68.143%0.42538%0.375SS..EExtended strand (participates in β ladder)trans-125.7136.5176.6-174.5178.61500109.2Y268 Q269 L271 I279Y268-Q277 CarbonylContact C-O 3.42Å; Y268-Q277 VanDerWaalsContact CA-O 3.29Å; Y268-Q277 WeakPolarHBondContact CA-O 3.25Å; Q269-Q277 PolarHBondContact N-O 2.73Å; Q269-Q277 PolarHBondContact O-N 3.32Å; L271-Q277 HydrophobicContact CB-CB 4.04Å; L271-Q277 HydrophobicContact CD2-CB 4.41Å; Q277-I279 PolarHBondContact O-N 3.26Å
278D92.9Very high92.7Very high28 Ų2876.1 Ų76.115%0.1541%0.408CS..EExtended strand (participates in β ladder)trans-52.6132.7172.6-173.766000111.1Y268 N297 H299 G300Y268-D278 HydrophobicContact CD1-CB 4.29Å; Y268-D278 HydrophobicContact CE1-CB 4.09Å; D278-N297 PolarHBondContact OD2-ND2 2.04Å; D278-H299 WeakPolarHBondContact OD1-CA 3.03Å; D278-G300 PolarHBondContact OD1-N 2.93Å
279I93.8Very high92.7Very high36 Ų3676.7 Ų76.719%0.18541%0.414CS..  trans-83.7122.7172.9-61.8170.2000107G267 Q269 Q277 E281 T284 N297G267-I279 WeakPolarHBondContact O-CB 3.48Å; G267-I279 PolarHBondContact O-N 3.31Å; Q269-I279 HydrophobicContact CB-CD1 4.13Å; Q269-I279 HydrophobicContact CB-CG1 3.88Å; Q269-I279 HydrophobicContact CG-CG1 3.88Å; Q277-I279 PolarHBondContact O-N 3.26Å; I279-E281 HydrophobicContact CG2-CG 4.25Å; I279-E281 PolarHBondContact O-N 2.89Å; I279-E281 VanDerWaalsContact O-N 3.11Å; I279-E281 VanDerWaalsContact O-OE2 3.1Å; I279-T284 HydrophobicContact CG2-CG2 4.17Å; I279-N297 PolarHBondContact O-OD1 2.92Å
280N94.3Very high92.6Very high39 Ų3976 Ų7621%0.20942%0.417CS..  trans-82.289.3175.1-172.9-17.9000110.4C282 E283 T284 N297N280-C282 PolarHBondContact O-N 2.98Å; N280-C282 WeakPolarHBondContact OD1-CB 3.43Å; N280-C282 PolarHBondContact OD1-N 2.8Å; N280-E283 HydrophobicContact CB-CB 4.16Å; N280-E283 HydrophobicContact CB-CG 4.41Å; N280-E283 VanDerWaalsContact ND2-CG 3.31Å; N280-E283 WeakPolarHBondContact ND2-CG 3.46Å; N280-E283 PolarHBondContact ND2-OE1 2.84Å; N280-E283 PolarHBondContact ND2-OE2 2.82Å; N280-E283 PolarHBondContact O-N 3.38Å; N280-E283 PolarHBondContact OD1-N 2.82Å; N280-T284 WeakPolarHBondContact O-CG2 3.34Å; N280-T284 PolarHBondContact O-N 2.02Å; N280-N297 WeakPolarHBondContact CA-OD1 3.45Å
281E94.8Very high92.2Very high21 Ų2182.3 Ų82.310%0.09845%0.445CS..Hα-helixtrans-67.9-19.3-174.7-49.389.215800112.7I279 E283 T284 G285 E286 H287 N297 A301 S302I279-E281 HydrophobicContact CG2-CG 4.25Å; I279-E281 PolarHBondContact O-N 2.89Å; I279-E281 VanDerWaalsContact O-N 3.11Å; I279-E281 VanDerWaalsContact O-OE2 3.1Å; E281-E283 VanDerWaalsContact C-N 3.34Å; E281-T284 WeakPolarHBondContact CA-OG1 3.38Å; E281-G285 PolarHBondContact O-N 3Å; E281-E286 HydrophobicContact CB-CB 4.36Å; E281-E286 PolarHBondContact O-N 3.11Å; E281-H287 PolarHBondContact O-N 3.12Å; E281-N297 PolarHBondContact OE2-OD1 3.47Å; E281-A301 VanDerWaalsContact OE1-C 3.26Å; E281-A301 WeakPolarHBondContact OE1-CA 3.44Å; E281-S302 WeakPolarHBondContact OE2-CB 3.36Å; E281-S302 PolarHBondContact OE2-N 2.04Å
282C94Very high91.8Very high39 Ų3980.5 Ų80.526%0.26445%0.447SS..Hα-helixtrans-70.8-30172.3-570000112.6N280 C295 V296 N297N280-C282 PolarHBondContact O-N 2.98Å; N280-C282 WeakPolarHBondContact OD1-CB 3.43Å; N280-C282 PolarHBondContact OD1-N 2.8Å; C282-C295 WeakPolarHBondContact CA-SG 3.41Å; C282-C295 HydrophobicContact CB-CB 3.82Å; C282-C295 WeakPolarHBondContact CB-SG 3.42Å; C282-C295 WeakPolarHBondContact SG-CB 3.48Å; C282-C295 CovalentContact SG-SG 2.04Å; C282-C295 PolarHBondContact SG-SG 3Å; C282-V296 PolarHBondContact SG-N 2.92Å; C282-N297 PolarHBondContact SG-N 3.5Å
283E94.6Very high91.8Very high160 Ų16080.1 Ų80.175%0.74843%0.428SS*.Hα-helixtrans-88.8-35.3176.3-75.4177.2-170.400112.3N280 E281 G285N280-E283 HydrophobicContact CB-CB 4.16Å; N280-E283 HydrophobicContact CB-CG 4.41Å; N280-E283 VanDerWaalsContact ND2-CG 3.31Å; N280-E283 WeakPolarHBondContact ND2-CG 3.46Å; N280-E283 PolarHBondContact ND2-OE1 2.84Å; N280-E283 PolarHBondContact ND2-OE2 2.82Å; N280-E283 PolarHBondContact O-N 3.38Å; N280-E283 PolarHBondContact OD1-N 2.82Å; E281-E283 VanDerWaalsContact C-N 3.34Å; E283-G285 VanDerWaalsContact C-N 3.27Å; E283-G285 PolarHBondContact O-N 3.02Å
284T92.8Very high91.8Very high79 Ų7978.4 Ų78.449%0.48542%0.418SS..Hα-helixtrans-74.3-20.6177.265.90000112.6I279 N280 E281 E286I279-T284 HydrophobicContact CG2-CG2 4.17Å; N280-T284 WeakPolarHBondContact O-CG2 3.34Å; N280-T284 PolarHBondContact O-N 2.02Å; E281-T284 WeakPolarHBondContact CA-OG1 3.38Å; T284-E286 VanDerWaalsContact C-N 3.3Å; T284-E286 WeakPolarHBondContact OG1-CG 3.44Å; T284-E286 PolarHBondContact OG1-N 2.94Å; T284-E286 PolarHBondContact OG1-OE2 2.94Å
285G89.9Confident91.8Very high51 Ų5174 Ų7453%0.52641%0.405SS..THydrogen-bonded Turntrans78.914-176.600000113.4E281 E283 H287E281-G285 PolarHBondContact O-N 3Å; E283-G285 VanDerWaalsContact C-N 3.27Å; E283-G285 PolarHBondContact O-N 3.02Å; G285-H287 VanDerWaalsContact C-N 3.26Å
286E89.9Confident91.8Very high134 Ų13470.6 Ų70.663%0.62639%0.388SS*.  trans-83.4-1.5177.8-66.7177.7147.800112.8E281 T284E281-E286 HydrophobicContact CB-CB 4.36Å; E281-E286 PolarHBondContact O-N 3.11Å; T284-E286 VanDerWaalsContact C-N 3.3Å; T284-E286 WeakPolarHBondContact OG1-CG 3.44Å; T284-E286 PolarHBondContact OG1-N 2.94Å; T284-E286 PolarHBondContact OG1-OE2 2.94Å
287H91.6Very high91.8Very high67 Ų6772.5 Ų72.531%0.3140%0.398SS..  trans-63.9146.2176.967.768.2000113.3E281 G285 C289 C295E281-H287 PolarHBondContact O-N 3.12Å; G285-H287 VanDerWaalsContact C-N 3.26Å; H287-C289 PolarHBondContact O-N 3.42Å; H287-C295 HydrophobicContact CB-CB 4.4Å; H287-C295 WeakPolarHBondContact CB-SG 3.19Å
288Q92Very high91.8Very high182 Ų18269.2 Ų69.285%0.8538%0.383SS*.  trans-9723.6-177.5-60.3-179.417.600114.2
289C92.8Very high91.7Very high25 Ų2570.3 Ų70.317%0.16939%0.387CS..PPolyproline II helixtrans-72.8140.6-175.4-52.40000113.4H287 Q293 C304H287-C289 PolarHBondContact O-N 3.42Å; C289-Q293 HydrophobicContact CB-CB 4.06Å; C289-C304 WeakPolarHBondContact CA-SG 3.31Å; C289-C304 HydrophobicContact CB-CB 3.78Å; C289-C304 WeakPolarHBondContact CB-SG 3.45Å; C289-C304 PolarHBondContact N-SG 3.38Å; C289-C304 VanDerWaalsContact SG-CA 3.51Å; C289-C304 WeakPolarHBondContact SG-CB 3.29Å; C289-C304 CovalentContact SG-SG 2.04Å; C289-C304 PolarHBondContact SG-SG 3.23Å
290T92.8Very high91.5Very high89 Ų8969.5 Ų69.555%0.54639%0.388SS..PPolyproline II helixtrans-84.3167.5178.164.80000112.7G292 Q293T290-G292 PolarHBondContact O-N 2.68Å; T290-Q293 WeakPolarHBondContact O-CB 3.47Å; T290-Q293 PolarHBondContact O-N 2.74Å; T290-Q293 PolarHBondContact OG1-OE1 3.39Å
291E84.9Confident91.3Very high205 Ų20569.5 Ų69.596%0.95839%0.393SS*.THydrogen-bonded Turntrans-59.7119.7172-159.6173.6-171.600110
292G85.4Confident91.2Very high51 Ų5170 Ų7053%0.52640%0.398SS..THydrogen-bonded Turntrans99.26.9-172.300000115.6T290 T307T290-G292 PolarHBondContact O-N 2.68Å; G292-T307 WeakPolarHBondContact O-CB 3.34Å; G292-T307 PolarHBondContact O-N 2.75Å; G292-T307 PolarHBondContact O-OG1 3.21Å
293Q90.6Very high91.1Very high57 Ų5771.4 Ų71.427%0.26640%0.401SS..EExtended strand (participates in β ladder)trans-115.3148.2170.1-62.3-175.4-40.300111C289 T290 C304 V305 D306C289-Q293 HydrophobicContact CB-CB 4.06Å; T290-Q293 WeakPolarHBondContact O-CB 3.47Å; T290-Q293 PolarHBondContact O-N 2.74Å; T290-Q293 PolarHBondContact OG1-OE1 3.39Å; Q293-C304 HydrophobicContact CB-CB 4.39Å; Q293-V305 CarbonylContact C-O 3.56Å; Q293-V305 WeakPolarHBondContact CA-O 3.37Å; Q293-D306 PolarHBondContact NE2-OD1 3.43Å
294T89.9Confident91Very high71 Ų7165.2 Ų65.244%0.43638%0.375SS..EExtended strand (participates in β ladder)trans-104.2138.2173-53.10000108.8V305T294-V305 PolarHBondContact N-O 3.42Å; T294-V305 VanDerWaalsContact O-CG2 3.3Å; T294-V305 WeakPolarHBondContact O-CG2 3.25Å; T294-V305 PolarHBondContact O-N 2.98Å
295C92.9Very high90.9Very high28 Ų2861.6 Ų61.619%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-81.3136.5175.9-172.80000111C282 H287C282-C295 WeakPolarHBondContact CA-SG 3.41Å; C282-C295 HydrophobicContact CB-CB 3.82Å; C282-C295 WeakPolarHBondContact CB-SG 3.42Å; C282-C295 WeakPolarHBondContact SG-CB 3.48Å; C282-C295 CovalentContact SG-SG 2.04Å; C282-C295 PolarHBondContact SG-SG 3Å; H287-C295 HydrophobicContact CB-CB 4.4Å; H287-C295 WeakPolarHBondContact CB-SG 3.19Å
296V92.3Very high90.7Very high23 Ų2363.2 Ų63.214%0.13935%0.35CS..EExtended strand (participates in β ladder)trans-122.7121.6170.5176.80000108.4C282 I298 Q303 V305 Y342 Y432C282-V296 PolarHBondContact SG-N 2.92Å; V296-I298 HydrophobicContact CG1-CG2 4.16Å; V296-Q303 PolarHBondContact N-O 3.33Å; V296-Q303 PolarHBondContact O-N 3.1Å; V296-V305 HydrophobicContact CG2-CG1 4.07Å; V296-V305 HydrophobicContact CG2-CG2 3.65Å; V296-Y342 HydrophobicContact CG1-CG 4.25Å; V296-Y342 HydrophobicContact CG2-CD2 3.9Å; V296-Y342 HydrophobicContact CG2-CE2 4.44Å; V296-Y342 HydrophobicContact CG2-CG 3.99Å; V296-Y432 HydrophobicContact CG1-CE2 4.45Å
297N92.9Very high90.3Very high46 Ų4659.1 Ų59.125%0.24633%0.334CS..EExtended strand (participates in β ladder)trans-73.3130.3175.6-168.951.1000110.4D278 I279 N280 E281 C282D278-N297 PolarHBondContact OD2-ND2 2.04Å; I279-N297 PolarHBondContact O-OD1 2.92Å; N280-N297 WeakPolarHBondContact CA-OD1 3.45Å; E281-N297 PolarHBondContact OE2-OD1 3.47Å; C282-N297 PolarHBondContact SG-N 3.5Å
298I92.6Very high89.6Confident23 Ų2361.5 Ų61.512%0.11835%0.349CS..EExtended strand (participates in β ladder)trans-130.1159.8178.263.6168.2000109.8V296 G300 A301 Q303 Y432V296-I298 HydrophobicContact CG1-CG2 4.16Å; I298-G300 PolarHBondContact O-N 3.28Å; I298-A301 CarbonylContact C-O 3.52Å; I298-A301 WeakPolarHBondContact CA-O 3.47Å; I298-A301 HydrophobicContact CD1-CB 4.02Å; I298-A301 VanDerWaalsContact CG1-C 3.48Å; I298-A301 HydrophobicContact CG1-CB 3.93Å; I298-A301 WeakPolarHBondContact CG1-O 3.04Å; I298-A301 PolarHBondContact N-O 3.35Å; I298-A301 PolarHBondContact O-N 3.41Å; I298-Q303 HydrophobicContact CD1-CB 4.2Å; I298-Q303 HydrophobicContact CG2-CB 4.28Å; I298-Y432 HydrophobicContact CB-CG 4.34Å; I298-Y432 HydrophobicContact CD1-CD1 4.35Å; I298-Y432 HydrophobicContact CD1-CG 4.44Å; I298-Y432 HydrophobicContact CG2-CD1 4.33Å; I298-Y432 HydrophobicContact CG2-CD2 3.39Å; I298-Y432 HydrophobicContact CG2-CE2 3.95Å; I298-Y432 HydrophobicContact CG2-CG 3.61Å
299H90.8Very high89Confident51 Ų5156.4 Ų56.424%0.23632%0.322CS..THydrogen-bonded Turntrans-66.2111.7-177.7-77.4-56.9000111.6D278 S344D278-H299 WeakPolarHBondContact OD1-CA 3.03Å; H299-S344 PolarHBondContact CD2-OG 3.43Å
300G89.3Confident88.6Confident19 Ų1956.2 Ų56.220%0.19632%0.32CS..THydrogen-bonded Turntrans875.9179.400000115.3Y268 D278 I298Y268-G300 PolarHBondContact OH-N 2.72Å; D278-G300 PolarHBondContact OD1-N 2.93Å; I298-G300 PolarHBondContact O-N 3.28Å
301A91.3Very high88.2Confident38 Ų3858.2 Ų58.231%0.31432%0.324SS..EExtended strand (participates in β ladder)trans-167.1179.2179.200000112.4E281 I298E281-A301 VanDerWaalsContact OE1-C 3.26Å; E281-A301 WeakPolarHBondContact OE1-CA 3.44Å; I298-A301 CarbonylContact C-O 3.52Å; I298-A301 WeakPolarHBondContact CA-O 3.47Å; I298-A301 HydrophobicContact CD1-CB 4.02Å; I298-A301 VanDerWaalsContact CG1-C 3.48Å; I298-A301 HydrophobicContact CG1-CB 3.93Å; I298-A301 WeakPolarHBondContact CG1-O 3.04Å; I298-A301 PolarHBondContact N-O 3.35Å; I298-A301 PolarHBondContact O-N 3.41Å
302S92.9Very high88.1Confident31 Ų3153.4 Ų53.422%0.21731%0.313CS..EExtended strand (participates in β ladder)trans-114.8150.9163.454.40000111.9E281E281-S302 WeakPolarHBondContact OE2-CB 3.36Å; E281-S302 PolarHBondContact OE2-N 2.04Å
303Q92Very high88.2Confident69 Ų6951.9 Ų51.932%0.32229%0.294SS..EExtended strand (participates in β ladder)trans-120.4127.4175.5-177.370.1-21.200110.8V296 I298 V305 Y432V296-Q303 PolarHBondContact N-O 3.33Å; V296-Q303 PolarHBondContact O-N 3.1Å; I298-Q303 HydrophobicContact CD1-CB 4.2Å; I298-Q303 HydrophobicContact CG2-CB 4.28Å; Q303-V305 HydrophobicContact CG-CG1 4.17Å; Q303-Y432 HydrophobicContact CB-CE1 4.45Å; Q303-Y432 HydrophobicContact CG-CE1 3.94Å; Q303-Y432 WeakPolarHBondContact CG-OH 3.02Å
304C92.2Very high88.1Confident30 Ų3050.3 Ų50.320%0.20329%0.285CS..EExtended strand (participates in β ladder)trans-90.6121.7177-58.90000110.4C289 Q293C289-C304 WeakPolarHBondContact CA-SG 3.31Å; C289-C304 HydrophobicContact CB-CB 3.78Å; C289-C304 WeakPolarHBondContact CB-SG 3.45Å; C289-C304 PolarHBondContact N-SG 3.38Å; C289-C304 VanDerWaalsContact SG-CA 3.51Å; C289-C304 WeakPolarHBondContact SG-CB 3.29Å; C289-C304 CovalentContact SG-SG 2.04Å; C289-C304 PolarHBondContact SG-SG 3.23Å; Q293-C304 HydrophobicContact CB-CB 4.39Å
305V89.1Confident88Confident4 Ų450.4 Ų50.42%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-116.5125.9-177.8-60.80000110.7Q293 T294 V296 Q303 Y342Q293-V305 CarbonylContact C-O 3.56Å; Q293-V305 WeakPolarHBondContact CA-O 3.37Å; T294-V305 PolarHBondContact N-O 3.42Å; T294-V305 VanDerWaalsContact O-CG2 3.3Å; T294-V305 WeakPolarHBondContact O-CG2 3.25Å; T294-V305 PolarHBondContact O-N 2.98Å; V296-V305 HydrophobicContact CG2-CG1 4.07Å; V296-V305 HydrophobicContact CG2-CG2 3.65Å; Q303-V305 HydrophobicContact CG-CG1 4.17Å; V305-Y342 HydrophobicContact CB-CE1 4.45Å; V305-Y342 HydrophobicContact CG1-CD1 4.33Å; V305-Y342 HydrophobicContact CG1-CE1 3.81Å; V305-Y342 HydrophobicContact CG2-CE2 4.08Å
306D87.4Confident87.8Confident85 Ų8551.8 Ų51.846%0.45529%0.29SS..EExtended strand (participates in β ladder)trans-55.8142178.6-56.4-35.2000112.2Q293 R309Q293-D306 PolarHBondContact NE2-OD1 3.43Å; D306-R309 HydrophobicContact CB-CG 4.05Å; D306-R309 VanDerWaalsContact O-CD 3.26Å; D306-R309 WeakPolarHBondContact O-CD 3.41Å; D306-R309 WeakPolarHBondContact O-CG 3.43Å; D306-R309 PolarHBondContact O-NE 3.31Å
307T80.3Confident87.5Confident48 Ų4855.4 Ų55.429%0.29431%0.311SS..SBendtrans-72.1-28.8179.2-50.60000112.1G292 Q316G292-T307 WeakPolarHBondContact O-CB 3.34Å; G292-T307 PolarHBondContact O-N 2.75Å; G292-T307 PolarHBondContact O-OG1 3.21Å; T307-Q316 PolarHBondContact O-NE2 2.04Å; T307-Q316 PolarHBondContact O-OE1 2.8Å
308N77Confident87.2Confident116 Ų11656.1 Ų56.162%0.6232%0.32SS*.  trans-111.178-180-173.15.6000112.8Q316N308-Q316 PolarHBondContact OD1-OE1 3.01Å
309R79.3Confident86.6Confident76 Ų7660.8 Ų60.829%0.28735%0.345SS..  trans-93.87.4-176.5-71.8174.2160.5-132.1-15.2115D306 Q311 Q340 Y342D306-R309 HydrophobicContact CB-CG 4.05Å; D306-R309 VanDerWaalsContact O-CD 3.26Å; D306-R309 WeakPolarHBondContact O-CD 3.41Å; D306-R309 WeakPolarHBondContact O-CG 3.43Å; D306-R309 PolarHBondContact O-NE 3.31Å; R309-Q311 PolarHBondContact O-N 3Å; R309-Q340 VanDerWaalsContact CB-NE2 3.35Å; R309-Q340 VanDerWaalsContact CB-OE1 3.27Å; R309-Y342 VanDerWaalsContact CD-OH 3.3Å; R309-Y342 WeakPolarHBondContact CD-OH 3.01Å; R309-Y342 PolarHBondContact NH1-OH 2.89Å
310C85.3Confident86.3Confident20 Ų2061 Ų6114%0.13535%0.348CS..  trans-73.8105.4-178.7-59.80000110S312 Q316 C322C310-S312 PolarHBondContact O-N 2.93Å; C310-Q316 HydrophobicContact CB-CB 4.48Å; C310-Q316 WeakPolarHBondContact SG-CA 3.28Å; C310-Q316 WeakPolarHBondContact SG-CB 3.42Å; C310-C322 WeakPolarHBondContact CA-SG 3.05Å; C310-C322 HydrophobicContact CB-CB 3.87Å; C310-C322 WeakPolarHBondContact CB-SG 3.4Å; C310-C322 VanDerWaalsContact SG-CA 3.54Å; C310-C322 WeakPolarHBondContact SG-CB 3.49Å; C310-C322 CovalentContact SG-SG 2.03Å; C310-C322 PolarHBondContact SG-SG 3.48Å
311Q83.7Confident86.4Confident131 Ų13165.5 Ų65.561%0.61236%0.359SS*.  trans-61.5136.9171.4-70.8178.2-24.200109.5R309 Y314R309-Q311 PolarHBondContact O-N 3Å; Q311-Y314 WeakPolarHBondContact O-CB 3.19Å; Q311-Y314 WeakPolarHBondContact O-CD2 3.29Å; Q311-Y314 PolarHBondContact O-N 2.01Å
312S82.1Confident86.3Confident105 Ų10563.9 Ų63.973%0.73435%0.346SS*.THydrogen-bonded Turntrans-53131.8168.6-177.10000109.1C310C310-S312 PolarHBondContact O-N 2.93Å
313P87.8Confident86.1Confident19 Ų1963.5 Ų63.512%0.12334%0.342CS..THydrogen-bonded Turncis-96.97.617.238.5-39.2000116.1P325 K328 A330 C331P313-P325 WeakPolarHBondContact O-CD 3.46Å; P313-K328 HydrophobicContact CB-CB 4.36Å; P313-K328 HydrophobicContact CB-CD 4.13Å; P313-A330 HydrophobicContact CB-CB 4.21Å; P313-A330 HydrophobicContact CG-CB 4.14Å; P313-C331 HydrophobicContact CG-CB 3.57Å
314Y88.4Confident85.9Confident23 Ų2360.8 Ų60.89%0.0933%0.33CS..  trans-70.8152.2-178.6-65.7-89.8000112.6Q311 C322 C324 L334 P335 I338Q311-Y314 WeakPolarHBondContact O-CB 3.19Å; Q311-Y314 WeakPolarHBondContact O-CD2 3.29Å; Q311-Y314 PolarHBondContact O-N 2.01Å; Y314-C322 HydrophobicContact CD1-CB 4.37Å; Y314-C322 HydrophobicContact CG-CB 4.38Å; Y314-C324 HydrophobicContact CD1-CB 4.23Å; Y314-C324 HydrophobicContact CE1-CB 3.96Å; Y314-L334 HydrophobicContact CE2-CD1 4.43Å; Y314-L334 WeakPolarHBondContact OH-CB 3.4Å; Y314-P335 WeakPolarHBondContact CE1-O 3.24Å; Y314-P335 PolarHBondContact OH-O 3.29Å; Y314-I338 HydrophobicContact CD1-CD1 4.26Å; Y314-I338 HydrophobicContact CD1-CG1 4.38Å; Y314-I338 HydrophobicContact CD2-CD1 3.97Å; Y314-I338 HydrophobicContact CE1-CD1 3.87Å; Y314-I338 HydrophobicContact CE1-CG1 3.91Å; Y314-I338 HydrophobicContact CE2-CD1 3.54Å; Y314-I338 HydrophobicContact CE2-CG1 4.47Å; Y314-I338 HydrophobicContact CG-CD1 4.32Å; Y314-I338 VanDerWaalsContact CZ-CD1 3.48Å
315V88.9Confident85.6Confident73 Ų7360.7 Ų60.744%0.44233%0.329SS..EExtended strand (participates in β ladder)trans-118.9138.2175-168.20000108.8C322 V323 P325V315-C322 WeakPolarHBondContact O-CA 3.31Å; V315-V323 PolarHBondContact N-O 2.78Å; V315-V323 PolarHBondContact O-N 2.72Å; V315-P325 HydrophobicContact CG2-CB 4.17Å; V315-P325 HydrophobicContact CG2-CG 3.73Å
316Q88.4Confident85.2Confident58 Ų5867.4 Ų67.427%0.27137%0.37SS..EExtended strand (participates in β ladder)trans-70.9129177.1-166.4171.311.700110.5T307 N308 C310 S318 D319T307-Q316 PolarHBondContact O-NE2 2.04Å; T307-Q316 PolarHBondContact O-OE1 2.8Å; N308-Q316 PolarHBondContact OD1-OE1 3.01Å; C310-Q316 HydrophobicContact CB-CB 4.48Å; C310-Q316 WeakPolarHBondContact SG-CA 3.28Å; C310-Q316 WeakPolarHBondContact SG-CB 3.42Å; Q316-S318 VanDerWaalsContact CG-O 3.22Å; Q316-S318 WeakPolarHBondContact CG-O 3.05Å; Q316-S318 PolarHBondContact NE2-O 3.31Å; Q316-D319 PolarHBondContact NE2-O 2.81Å
317V86.9Confident84.9Confident99 Ų9969.2 Ų69.260%0.638%0.384SS*.EExtended strand (participates in β ladder)trans-112.3-27.9176.9-176.50000111R321 V323V317-R321 PolarHBondContact N-O 3.23Å; V317-V323 HydrophobicContact CB-CG2 4.22Å; V317-V323 HydrophobicContact CG2-CB 3.73Å; V317-V323 HydrophobicContact CG2-CG2 3.57Å
318S86Confident84.9Confident61 Ų6171.5 Ų71.543%0.42739%0.39SS..EExtended strand (participates in β ladder)trans-151.6172.5169.771.30000110Q316 N320 R321Q316-S318 VanDerWaalsContact CG-O 3.22Å; Q316-S318 WeakPolarHBondContact CG-O 3.05Å; Q316-S318 PolarHBondContact NE2-O 3.31Å; S318-N320 PolarHBondContact O-N 3.23Å; S318-R321 PolarHBondContact N-O 3.12Å; S318-R321 PolarHBondContact O-N 3.13Å; S318-R321 WeakPolarHBondContact OG-CB 3.04Å
319D79.7Confident84.7Confident120 Ų12071 Ų7164%0.64239%0.393SS*.THydrogen-bonded Turntrans-47.3-37.3-173.2-59.5-21.1000114.2Q316Q316-D319 PolarHBondContact NE2-O 2.81Å
320N85.4Confident84.6Confident56 Ų5671.1 Ų71.130%0.29941%0.41SS..THydrogen-bonded Turntrans-12015.8-178.4-72.9-30.7000113.7S318 V339 Q340S318-N320 PolarHBondContact O-N 3.23Å; N320-V339 CarbonylContact O-C 3.16Å; N320-V339 VanDerWaalsContact O-CA 3.23Å; N320-V339 WeakPolarHBondContact O-CA 3.49Å; N320-Q340 WeakPolarHBondContact CB-O 3.05Å; N320-Q340 PolarHBondContact O-N 3.05Å
321R89.4Confident84.2Confident113 Ų11370.2 Ų70.243%0.42640%0.404SS..EExtended strand (participates in β ladder)trans-131118.9-175.7-168.1178.5179-174.6-0.3112V317 S318 V323 V339V317-R321 PolarHBondContact N-O 3.23Å; S318-R321 PolarHBondContact N-O 3.12Å; S318-R321 PolarHBondContact O-N 3.13Å; S318-R321 WeakPolarHBondContact OG-CB 3.04Å; R321-V323 HydrophobicContact CG-CG2 4.28Å; R321-V339 HydrophobicContact CG-CG2 4.34Å
322C90.6Very high83.6Confident5 Ų574.1 Ų74.13%0.03441%0.413CS..EExtended strand (participates in β ladder)trans-104.9137.1172.1-56.90000109.6C310 Y314 V315 S337 I338C310-C322 WeakPolarHBondContact CA-SG 3.05Å; C310-C322 HydrophobicContact CB-CB 3.87Å; C310-C322 WeakPolarHBondContact CB-SG 3.4Å; C310-C322 VanDerWaalsContact SG-CA 3.54Å; C310-C322 WeakPolarHBondContact SG-CB 3.49Å; C310-C322 CovalentContact SG-SG 2.03Å; C310-C322 PolarHBondContact SG-SG 3.48Å; Y314-C322 HydrophobicContact CD1-CB 4.37Å; Y314-C322 HydrophobicContact CG-CB 4.38Å; V315-C322 WeakPolarHBondContact O-CA 3.31Å; C322-S337 CarbonylContact O-C 3.53Å; C322-S337 VanDerWaalsContact O-CA 3.25Å; C322-S337 WeakPolarHBondContact O-CA 3.48Å; C322-I338 HydrophobicContact CB-CB 4.26Å; C322-I338 PolarHBondContact N-O 3.01Å; C322-I338 PolarHBondContact O-N 2.92Å
323V88.8Confident83.4Confident23 Ų2376.7 Ų76.714%0.13942%0.419CS..EExtended strand (participates in β ladder)trans-126.7140.1178.7-179.70000109.8V315 V317 R321 P325 F336V315-V323 PolarHBondContact N-O 2.78Å; V315-V323 PolarHBondContact O-N 2.72Å; V317-V323 HydrophobicContact CB-CG2 4.22Å; V317-V323 HydrophobicContact CG2-CB 3.73Å; V317-V323 HydrophobicContact CG2-CG2 3.57Å; R321-V323 HydrophobicContact CG-CG2 4.28Å; V323-P325 WeakPolarHBondContact O-CD 3.45Å; V323-F336 HydrophobicContact CG1-CD1 4.29Å; V323-F336 HydrophobicContact CG1-CE1 3.68Å; V323-F336 HydrophobicContact CG1-CE2 4.42Å; V323-F336 HydrophobicContact CG1-CZ 3.76Å
324C88.3Confident83.1Confident12 Ų1278.9 Ų78.98%0.08143%0.429CS..  trans-71.3114171.5174.60000108.6Y314 C331 F336Y314-C324 HydrophobicContact CD1-CB 4.23Å; Y314-C324 HydrophobicContact CE1-CB 3.96Å; C324-C331 VanDerWaalsContact CA-SG 3.55Å; C324-C331 HydrophobicContact CB-CB 3.81Å; C324-C331 WeakPolarHBondContact CB-SG 3.45Å; C324-C331 WeakPolarHBondContact SG-CB 3.48Å; C324-C331 CovalentContact SG-SG 2.02Å; C324-C331 PolarHBondContact SG-SG 3.13Å; C324-F336 HydrophobicContact CB-CD2 4.28Å; C324-F336 WeakPolarHBondContact CB-O 3.4Å; C324-F336 PolarHBondContact N-O 3.3Å; C324-F336 WeakPolarHBondContact O-CE2 2.97Å
325P85.4Confident82.9Confident27 Ų2777.9 Ų77.918%0.17543%0.425CS..  trans-72.7139.3179.831.9-35000109.7P313 V315 V323 T327 K328P313-P325 WeakPolarHBondContact O-CD 3.46Å; V315-P325 HydrophobicContact CG2-CB 4.17Å; V315-P325 HydrophobicContact CG2-CG 3.73Å; V323-P325 WeakPolarHBondContact O-CD 3.45Å; P325-T327 PolarHBondContact O-N 3.16Å; P325-K328 HydrophobicContact CG-CB 3.89Å; P325-K328 HydrophobicContact CG-CD 4.04Å; P325-K328 HydrophobicContact CG-CG 3.89Å; P325-K328 PolarHBondContact O-N 2.03Å
326V79.2Confident82.6Confident146 Ų14679.1 Ų79.189%0.88543%0.425SS*.THydrogen-bonded Turntrans-56.2-22175.6-96.80000113.5
327T82.1Confident82.5Confident122 Ų12276.8 Ų76.875%0.74842%0.415SS*.THydrogen-bonded Turntrans-81.8-14.3179.453.90000114.3P325 P329P325-T327 PolarHBondContact O-N 3.16Å; T327-P329 WeakPolarHBondContact O-CD 2.98Å
328K79.3Confident82.6Confident97 Ų9773 Ų7342%0.42239%0.391SS..  trans-114.796.7177.5-62.8-172.5177.8178.80110.2P313 P325 A330 C331P313-K328 HydrophobicContact CB-CB 4.36Å; P313-K328 HydrophobicContact CB-CD 4.13Å; P325-K328 HydrophobicContact CG-CB 3.89Å; P325-K328 HydrophobicContact CG-CD 4.04Å; P325-K328 HydrophobicContact CG-CG 3.89Å; P325-K328 PolarHBondContact O-N 2.03Å; K328-A330 PolarHBondContact O-N 2.83Å; K328-C331 PolarHBondContact O-SG 3.07Å
329P73.3Confident82.8Confident104 Ų10472 Ų7268%0.67538%0.383SS*.G310 helixtrans-68.3-7.8-176.227.4-34.4000114T327 C331 R332T327-P329 WeakPolarHBondContact O-CD 2.98Å; P329-C331 PolarHBondContact O-N 3.25Å; P329-C331 VanDerWaalsContact O-N 3.15Å; P329-R332 VanDerWaalsContact O-CB 3.26Å; P329-R332 WeakPolarHBondContact O-CB 3.34Å; P329-R332 PolarHBondContact O-N 3.42Å; P329-R332 VanDerWaalsContact O-N 3.09Å
330A76.8Confident83.3Confident79 Ų7967 Ų6765%0.65336%0.355SS*.G310 helixtrans-60.1-22.8-179.300000114.2P313 K328P313-A330 HydrophobicContact CB-CB 4.21Å; P313-A330 HydrophobicContact CG-CB 4.14Å; K328-A330 PolarHBondContact O-N 2.83Å
331C77.6Confident83.6Confident1 Ų170.3 Ų70.31%0.00736%0.364CS..G310 helixtrans-102.116.3177.143.60000114.3P313 C324 K328 P329 D333 L334P313-C331 HydrophobicContact CG-CB 3.57Å; C324-C331 VanDerWaalsContact CA-SG 3.55Å; C324-C331 HydrophobicContact CB-CB 3.81Å; C324-C331 WeakPolarHBondContact CB-SG 3.45Å; C324-C331 WeakPolarHBondContact SG-CB 3.48Å; C324-C331 CovalentContact SG-SG 2.02Å; C324-C331 PolarHBondContact SG-SG 3.13Å; K328-C331 PolarHBondContact O-SG 3.07Å; P329-C331 PolarHBondContact O-N 3.25Å; P329-C331 VanDerWaalsContact O-N 3.15Å; C331-D333 VanDerWaalsContact C-N 3.29Å; C331-D333 PolarHBondContact O-N 3.05Å; C331-L334 HydrophobicContact CB-CB 4.16Å; C331-L334 HydrophobicContact CB-CD1 4.17Å; C331-L334 PolarHBondContact O-N 3Å
332R72.1Confident83.7Confident214 Ų21467.1 Ų67.181%0.80835%0.352SS*.THydrogen-bonded Turntrans-62.3-33.5-178.4-170.8176.1-177.5176.90.1113.8P329P329-R332 VanDerWaalsContact O-CB 3.26Å; P329-R332 WeakPolarHBondContact O-CB 3.34Å; P329-R332 PolarHBondContact O-N 3.42Å; P329-R332 VanDerWaalsContact O-N 3.09Å
333D77.1Confident83.8Confident158 Ų15868.5 Ų68.585%0.84536%0.359SS*.THydrogen-bonded Turntrans-97.59176.9-56.2-42.5000112.6C331C331-D333 VanDerWaalsContact C-N 3.29Å; C331-D333 PolarHBondContact O-N 3.05Å
334L81.5Confident84Confident65 Ų6569.1 Ų69.134%0.3436%0.364SS..SBendtrans-109.1163.6177.4-61177.5000109.8Y314 C331 F336Y314-L334 HydrophobicContact CE2-CD1 4.43Å; Y314-L334 WeakPolarHBondContact OH-CB 3.4Å; C331-L334 HydrophobicContact CB-CB 4.16Å; C331-L334 HydrophobicContact CB-CD1 4.17Å; C331-L334 PolarHBondContact O-N 3Å; L334-F336 PolarHBondContact O-N 2.91Å
335P83.7Confident84.2Confident2 Ų268.8 Ų68.81%0.01336%0.361CS..  trans-54.1135.1176.2-24.833.7000110.9Y314 S337 A426Y314-P335 WeakPolarHBondContact CE1-O 3.24Å; Y314-P335 PolarHBondContact OH-O 3.29Å; P335-S337 VanDerWaalsContact C-N 3.29Å; P335-S337 PolarHBondContact O-N 3.44Å; P335-A426 HydrophobicContact CB-CB 3.68Å; P335-A426 HydrophobicContact CG-CB 3.68Å
336F82.1Confident84.4Confident99 Ų9968.6 Ų68.643%0.43436%0.36SS..SBendtrans-66-34.6-176.8-180-100.9000112V323 C324 L334 S424V323-F336 HydrophobicContact CG1-CD1 4.29Å; V323-F336 HydrophobicContact CG1-CE1 3.68Å; V323-F336 HydrophobicContact CG1-CE2 4.42Å; V323-F336 HydrophobicContact CG1-CZ 3.76Å; C324-F336 HydrophobicContact CB-CD2 4.28Å; C324-F336 WeakPolarHBondContact CB-O 3.4Å; C324-F336 PolarHBondContact N-O 3.3Å; C324-F336 WeakPolarHBondContact O-CE2 2.97Å; L334-F336 PolarHBondContact O-N 2.91Å; F336-S424 PolarHBondContact N-O 2.88Å
337S87.1Confident84.9Confident9 Ų962.4 Ų62.46%0.06332%0.322CS..EExtended strand (participates in β ladder)trans-133.7144.9173.467.60000111.5C322 P335 S425 A426C322-S337 CarbonylContact O-C 3.53Å; C322-S337 VanDerWaalsContact O-CA 3.25Å; C322-S337 WeakPolarHBondContact O-CA 3.48Å; P335-S337 VanDerWaalsContact C-N 3.29Å; P335-S337 PolarHBondContact O-N 3.44Å; S337-S425 PolarHBondContact OG-OG 2.73Å; S337-A426 PolarHBondContact O-N 3.37Å
338I88.6Confident84.9Confident20 Ų2064.3 Ų64.310%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-119.4118.2174.4-56177.8000107.5Y314 C322 A426 R428Y314-I338 HydrophobicContact CD1-CD1 4.26Å; Y314-I338 HydrophobicContact CD1-CG1 4.38Å; Y314-I338 HydrophobicContact CD2-CD1 3.97Å; Y314-I338 HydrophobicContact CE1-CD1 3.87Å; Y314-I338 HydrophobicContact CE1-CG1 3.91Å; Y314-I338 HydrophobicContact CE2-CD1 3.54Å; Y314-I338 HydrophobicContact CE2-CG1 4.47Å; Y314-I338 HydrophobicContact CG-CD1 4.32Å; Y314-I338 VanDerWaalsContact CZ-CD1 3.48Å; C322-I338 HydrophobicContact CB-CB 4.26Å; C322-I338 PolarHBondContact N-O 3.01Å; C322-I338 PolarHBondContact O-N 2.92Å; I338-A426 CarbonylContact C-O 3.5Å; I338-A426 VanDerWaalsContact CA-O 3.26Å; I338-A426 WeakPolarHBondContact CA-O 3.45Å; I338-A426 HydrophobicContact CG1-CB 4.37Å; I338-R428 HydrophobicContact CG2-CB 4.16Å
339V90.4Very high85.3Confident41 Ų4164.1 Ų64.125%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-98.8134.4171.81800000108.5N320 R321 R341 A426 L427 R428N320-V339 CarbonylContact O-C 3.16Å; N320-V339 VanDerWaalsContact O-CA 3.23Å; N320-V339 WeakPolarHBondContact O-CA 3.49Å; R321-V339 HydrophobicContact CG-CG2 4.34Å; V339-R341 HydrophobicContact CG1-CG 4.38Å; V339-A426 PolarHBondContact N-O 2.9Å; V339-L427 HydrophobicContact CB-CD1 4.1Å; V339-L427 HydrophobicContact CG1-CD1 4.07Å; V339-L427 CarbonylContact O-C 3.58Å; V339-L427 WeakPolarHBondContact O-CA 3.39Å; V339-L427 WeakPolarHBondContact O-CD1 3.45Å; V339-R428 PolarHBondContact O-N 2.86Å
340Q90.8Very high86.2Confident13 Ų1363.4 Ų63.46%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-101.2134.4175-64-170.7-5.300110.4R309 N320 Y342 R428R309-Q340 VanDerWaalsContact CB-NE2 3.35Å; R309-Q340 VanDerWaalsContact CB-OE1 3.27Å; N320-Q340 WeakPolarHBondContact CB-O 3.05Å; N320-Q340 PolarHBondContact O-N 3.05Å; Q340-Y342 PolarHBondContact OE1-OH 3.35Å; Q340-R428 CarbonylContact C-O 3.59Å; Q340-R428 WeakPolarHBondContact CA-O 3.28Å; Q340-R428 HydrophobicContact CG-CB 4.4Å
341R91.7Very high86.9Confident126 Ų12662.6 Ų62.648%0.47530%0.304SS..EExtended strand (participates in β ladder)trans-138.3151.4174.4-69.3-64-176-177.31.4110.1V339 L427 R428 L429 S430V339-R341 HydrophobicContact CG1-CG 4.38Å; R341-L427 HydrophobicContact CB-CD1 3.92Å; R341-L427 HydrophobicContact CG-CD1 3.53Å; R341-R428 PolarHBondContact N-O 3.32Å; R341-L429 HydrophobicContact CB-CD1 3.73Å; R341-L429 WeakPolarHBondContact O-CA 3.45Å; R341-S430 PolarHBondContact O-N 3.02Å
342Y91.8Very high87.7Confident46 Ų4667 Ų6718%0.1833%0.333CS..EExtended strand (participates in β ladder)trans-126141.5179.7-52.5-80.4000108.4V296 V305 R309 Q340 S430 Y432V296-Y342 HydrophobicContact CG1-CG 4.25Å; V296-Y342 HydrophobicContact CG2-CD2 3.9Å; V296-Y342 HydrophobicContact CG2-CE2 4.44Å; V296-Y342 HydrophobicContact CG2-CG 3.99Å; V305-Y342 HydrophobicContact CB-CE1 4.45Å; V305-Y342 HydrophobicContact CG1-CD1 4.33Å; V305-Y342 HydrophobicContact CG1-CE1 3.81Å; V305-Y342 HydrophobicContact CG2-CE2 4.08Å; R309-Y342 VanDerWaalsContact CD-OH 3.3Å; R309-Y342 WeakPolarHBondContact CD-OH 3.01Å; R309-Y342 PolarHBondContact NH1-OH 2.89Å; Q340-Y342 PolarHBondContact OE1-OH 3.35Å; Y342-S430 WeakPolarHBondContact CA-O 3.27Å; Y342-Y432 AromaticContact CD1-CE2 3.99Å; Y342-Y432 HydrophobicContact CD1-CE2 3.99Å
343M92.1Very high88.7Confident35 Ų3557.5 Ų57.517%0.17230%0.299CS..EExtended strand (participates in β ladder)trans-151158.2171.162.8179.4-72.700109.6I345 I355 F356 L429 S430 I431 Y432M343-I345 HydrophobicContact CE-CG2 3.62Å; M343-I355 HydrophobicContact CE-CB 4.12Å; M343-I355 WeakPolarHBondContact CE-O 3.41Å; M343-F356 HydrophobicContact SD-CB 4Å; M343-F356 HydrophobicContact SD-CD2 3.79Å; M343-F356 HydrophobicContact SD-CG 4.26Å; M343-L429 HydrophobicContact CG-CD1 4.02Å; M343-L429 HydrophobicContact CG-CG 4.5Å; M343-L429 HydrophobicContact SD-CD1 4.06Å; M343-L429 HydrophobicContact SD-CD2 3.97Å; M343-L429 HydrophobicContact SD-CG 4.35Å; M343-S430 PolarHBondContact N-O 3.03Å; M343-I431 HydrophobicContact CG-CB 4.32Å; M343-I431 HydrophobicContact CG-CG1 3.9Å; M343-I431 HydrophobicContact CG-CG2 4.25Å; M343-I431 WeakPolarHBondContact O-CA 3.42Å; M343-I431 HydrophobicContact SD-CG1 4.13Å; M343-Y432 WeakPolarHBondContact O-CD2 3.43Å; M343-Y432 PolarHBondContact O-N 3.22Å
344S92.5Very high89.6Confident35 Ų3553.1 Ų53.125%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-116.4149.5171.256.70000110.6H299 Y432H299-S344 PolarHBondContact CD2-OG 3.43Å; S344-Y432 CarbonylContact C-O 3.35Å; S344-Y432 WeakPolarHBondContact CA-O 3Å
345I92.5Very high90.2Very high6 Ų651 Ų513%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-137168.9170.762.4175.6000109.1M343 L396 V400 I431 Y432 V433 G434M343-I345 HydrophobicContact CE-CG2 3.62Å; I345-L396 HydrophobicContact CD1-CD2 4.45Å; I345-V400 HydrophobicContact CD1-CG2 3.89Å; I345-I431 HydrophobicContact CD1-CG2 3.83Å; I345-I431 HydrophobicContact CG1-CG2 3.82Å; I345-I431 HydrophobicContact CG2-CG2 4.4Å; I345-Y432 PolarHBondContact N-O 3Å; I345-V433 HydrophobicContact CD1-CG2 4.11Å; I345-V433 HydrophobicContact CG1-CB 4.47Å; I345-V433 HydrophobicContact CG1-CG1 4.45Å; I345-V433 HydrophobicContact CG1-CG2 3.92Å; I345-V433 CarbonylContact O-C 3.59Å; I345-V433 WeakPolarHBondContact O-CA 3.46Å; I345-G434 PolarHBondContact O-N 3.39Å
346T90.9Very high90.7Very high23 Ų2353.2 Ų53.214%0.14127%0.274CS..EExtended strand (participates in β ladder)trans-109.1155.2-178.658.10000112.3E348 R349 Y436T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 3.01Å; T346-R349 WeakPolarHBondContact O-CB 3.5Å; T346-R349 PolarHBondContact O-N 3.4Å; T346-Y436 WeakPolarHBondContact CB-O 3.39Å; T346-Y436 VanDerWaalsContact CG2-O 3.31Å; T346-Y436 WeakPolarHBondContact CG2-O 3.34Å
347S88.8Confident91.3Very high15 Ų1553.6 Ų53.611%0.10528%0.277CS..THydrogen-bonded Turntrans-64.2-32.4-175.5-65.50000114.7R349 V400 G402 G434S347-R349 VanDerWaalsContact C-N 3.31Å; S347-R349 PolarHBondContact O-N 3.22Å; S347-V400 CarbonylContact C-O 3.49Å; S347-V400 VanDerWaalsContact CA-O 3.27Å; S347-V400 WeakPolarHBondContact CA-O 3.37Å; S347-V400 VanDerWaalsContact O-O 3.07Å; S347-G402 PolarHBondContact OG-N 3.47Å; S347-G434 PolarHBondContact N-O 2.89Å; S347-G434 PolarHBondContact OG-O 3.16Å
348E83Confident91.6Very high163 Ų16354 Ų5476%0.76228%0.278SS*.THydrogen-bonded Turntrans-95.316.4-177.1-52.6-175.6165.200112.9T346 S350 A437T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 3.01Å; E348-S350 PolarHBondContact O-N 3.32Å; E348-A437 HydrophobicContact CB-CB 3.56Å; E348-A437 HydrophobicContact CG-CB 3.73Å
349R87.6Confident91.7Very high92 Ų9259 Ų5935%0.34730%0.301SS..  trans-58.2133.1176.9-170.4177.8-17792.5-5.9109.8T346 S347 S353 D354 L396T346-R349 WeakPolarHBondContact O-CB 3.5Å; T346-R349 PolarHBondContact O-N 3.4Å; S347-R349 VanDerWaalsContact C-N 3.31Å; S347-R349 PolarHBondContact O-N 3.22Å; R349-S353 WeakPolarHBondContact CD-OG 3.44Å; R349-S353 PolarHBondContact NE-OG 3.12Å; R349-D354 PolarHBondContact NH2-O 3.12Å; R349-L396 HydrophobicContact CB-CD2 4.46Å
350S90.6Very high91.4Very high90 Ų9057.4 Ų57.463%0.62929%0.292SS*.  trans-60.9145.9177.557.20000111.6E348 S353E348-S350 PolarHBondContact O-N 3.32Å; S350-S353 WeakPolarHBondContact O-CB 3.28Å; S350-S353 PolarHBondContact O-OG 3.43Å
351V91.9Very high90.6Very high61 Ų6163.6 Ų63.637%0.3733%0.331SS..SBendtrans-129.4139.9179.2-65.70000111.5L396 A399V351-L396 HydrophobicContact CG1-CD2 3.64Å; V351-L396 HydrophobicContact CG1-CG 3.79Å; V351-A399 HydrophobicContact CG2-CB 4.37Å
352P94Very high89.5Confident95 Ų9560.1 Ų60.162%0.61733%0.326SS*.SBendcis-73.8142.9-2.431.1-34.3000112.4V395 L396P352-V395 HydrophobicContact CB-CG1 4.15Å; P352-L396 VanDerWaalsContact CA-O 3.23Å; P352-L396 WeakPolarHBondContact CA-O 3.44Å
353S94.8Very high88.5Confident13 Ų1362 Ų629%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-136.7140.7175.757.90000113.7R349 S350 I355 V395 L396R349-S353 WeakPolarHBondContact CD-OG 3.44Å; R349-S353 PolarHBondContact NE-OG 3.12Å; S350-S353 WeakPolarHBondContact O-CB 3.28Å; S350-S353 PolarHBondContact O-OG 3.43Å; S353-I355 PolarHBondContact O-N 3.49Å; S353-V395 CarbonylContact O-C 3.59Å; S353-V395 WeakPolarHBondContact O-CA 3.36Å; S353-V395 WeakPolarHBondContact O-CG1 3.21Å; S353-L396 PolarHBondContact N-O 3.2Å; S353-L396 VanDerWaalsContact N-O 3.12Å; S353-L396 PolarHBondContact O-N 3.19Å
354D95.1Very high87.6Confident66 Ų6665.7 Ų65.735%0.35336%0.355SS..EExtended strand (participates in β ladder)trans-70.1126.3172.2-67.7-1.7000108.5R349 R385 M393R349-D354 PolarHBondContact NH2-O 3.12Å; D354-R385 IonicContact OD1-CZ 3.15Å; D354-R385 IonicContact OD1-NH1 3.87Å; D354-R385 IonicContact OD1-NH2 2.78Å; D354-R385 PolarHBondContact OD1-NH2 2.86Å; D354-R385 IonicContact OD2-CZ 3.71Å; D354-R385 IonicContact OD2-NH2 2.69Å; D354-R385 PolarHBondContact OD2-NH2 3.28Å; D354-M393 HydrophobicContact CB-CE 4.16Å; D354-M393 HydrophobicContact CB-CG 3.72Å; D354-M393 HydrophobicContact CB-SD 3.8Å
355I94.1Very high86.8Confident22 Ų2269.7 Ų69.711%0.11338%0.38CS..EExtended strand (participates in β ladder)trans-120.9-31-175.358.7167.7000113.7M343 S353 F382 L394 L396 I431M343-I355 HydrophobicContact CE-CB 4.12Å; M343-I355 WeakPolarHBondContact CE-O 3.41Å; S353-I355 PolarHBondContact O-N 3.49Å; I355-F382 HydrophobicContact CD1-CD1 3.66Å; I355-F382 HydrophobicContact CD1-CE1 3.51Å; I355-L394 HydrophobicContact CD1-CD2 3.81Å; I355-L394 HydrophobicContact CD1-CG 4.07Å; I355-L394 HydrophobicContact CG1-CB 4.29Å; I355-L394 HydrophobicContact CG1-CD2 4.08Å; I355-L394 HydrophobicContact CG1-CG 4.04Å; I355-L394 VanDerWaalsContact CG1-O 3.27Å; I355-L394 WeakPolarHBondContact CG1-O 3.29Å; I355-L394 PolarHBondContact N-O 3.2Å; I355-L396 HydrophobicContact CD1-CB 4.37Å; I355-L396 HydrophobicContact CG2-CB 3.95Å; I355-I431 HydrophobicContact CD1-CD1 4.09Å
356F95.2Very high86Confident48 Ų4871.5 Ų71.521%0.21140%0.4CS..EExtended strand (participates in β ladder)trans-151.6122.4-178.2-170-90.7000112.2M343 I358 M393 L394 L427 L429M343-F356 HydrophobicContact SD-CB 4Å; M343-F356 HydrophobicContact SD-CD2 3.79Å; M343-F356 HydrophobicContact SD-CG 4.26Å; F356-I358 HydrophobicContact CD1-CG1 3.93Å; F356-I358 HydrophobicContact CE1-CG1 4.18Å; F356-M393 VanDerWaalsContact C-SD 3.51Å; F356-M393 VanDerWaalsContact O-SD 3.35Å; F356-L394 HydrophobicContact CB-CB 4.06Å; F356-L394 HydrophobicContact CB-CD2 4.25Å; F356-L394 PolarHBondContact N-O 3.22Å; F356-L394 WeakPolarHBondContact O-CB 3.38Å; F356-L394 PolarHBondContact O-N 3.22Å; F356-L427 HydrophobicContact CD1-CD2 4.33Å; F356-L427 HydrophobicContact CE1-CD2 3.45Å; F356-L427 VanDerWaalsContact CE1-CD2 3.45Å; F356-L427 HydrophobicContact CZ-CD2 3.98Å; F356-L429 HydrophobicContact CB-CD2 4.13Å; F356-L429 HydrophobicContact CD1-CD2 4.16Å; F356-L429 HydrophobicContact CD2-CD1 4.15Å; F356-L429 HydrophobicContact CD2-CD2 4.26Å; F356-L429 HydrophobicContact CE2-CD1 4.07Å; F356-L429 HydrophobicContact CG-CD2 3.92Å; F356-L429 HydrophobicContact CZ-CD1 4.44Å
357Q94.8Very high85.6Confident107 Ų10770.5 Ų70.550%0.540%0.395SS..EExtended strand (participates in β ladder)trans-88.7125.2176.1-174175.7-13.200110.8M393Q357-M393 HydrophobicContact CB-CE 3.92Å; Q357-M393 HydrophobicContact CB-SD 4.11Å; Q357-M393 HydrophobicContact CG-CE 4.25Å
358I92.5Very high85.4Confident17 Ų1777 Ų779%0.08742%0.418CS..EExtended strand (participates in β ladder)trans-100.1130.4176.6-48.4167.1000107.9F356 F371 I384 S391 A392 L410F356-I358 HydrophobicContact CD1-CG1 3.93Å; F356-I358 HydrophobicContact CE1-CG1 4.18Å; I358-F371 HydrophobicContact CB-CD1 4.43Å; I358-F371 HydrophobicContact CB-CE1 4.49Å; I358-F371 HydrophobicContact CG2-CD1 3.82Å; I358-F371 HydrophobicContact CG2-CE1 3.75Å; I358-I384 HydrophobicContact CD1-CD1 4.27Å; I358-S391 CarbonylContact O-C 3.45Å; I358-S391 WeakPolarHBondContact O-CA 3.21Å; I358-S391 VanDerWaalsContact O-CB 3.32Å; I358-S391 WeakPolarHBondContact O-CB 3.32Å; I358-A392 PolarHBondContact N-O 3.12Å; I358-A392 PolarHBondContact O-N 3.47Å; I358-L410 HydrophobicContact CD1-CB 4.46Å; I358-L410 HydrophobicContact CD1-CD1 3.85Å; I358-L410 HydrophobicContact CG1-CD1 4.4Å
359Q89.9Confident85.7Confident124 Ų12469.3 Ų69.358%0.57938%0.382SS*.EExtended strand (participates in β ladder)trans-136.6133.8177.8-173.3170.2-9.700111.3I390Q359-I390 WeakPolarHBondContact CA-O 3.26Å
360A84.9Confident85.8Confident8 Ų868.7 Ų68.77%0.06639%0.389CS..  trans-69.4129.5175.200000110.4I390 M412A360-I390 HydrophobicContact CB-CB 4.41Å; A360-I390 PolarHBondContact N-O 3.46Å; A360-M412 HydrophobicContact CB-CE 4.35Å; A360-M412 HydrophobicContact CB-SD 3.57Å; A360-M412 VanDerWaalsContact CB-SD 3.57Å
361T74.2Confident85.9Confident143 Ų14365.2 Ų65.288%0.87736%0.362SS*.SBendtrans-79.9-21.9179.450.40000113.5
362S69.4Low86Confident54 Ų5468.8 Ų68.838%0.37837%0.369SS..  trans-135122.8-177.155.80000109.8
363V68.8Low86Confident85 Ų8566.3 Ų66.352%0.51535%0.35SS..  trans-112.1111.5-179.3-172.60000108.3I390V363-I390 HydrophobicContact CB-CG2 4.37Å; V363-I390 HydrophobicContact CG1-CG2 3.86Å; V363-I390 HydrophobicContact CG2-CB 4.28Å; V363-I390 HydrophobicContact CG2-CG2 3.52Å
364Y73.7Confident86Confident112 Ų11271.1 Ų71.144%0.43937%0.366SS..  trans-85.8132.3173.8-66.2-77.4000109.8G366 A367 Y421Y364-G366 PolarHBondContact O-N 3.31Å; Y364-A367 WeakPolarHBondContact O-CB 3.39Å; Y364-A367 PolarHBondContact O-N 3.45Å; Y364-Y421 HydrophobicContact CD2-CE1 4.44Å; Y364-Y421 HydrophobicContact CE2-CE1 4.33Å
365P75.1Confident85.9Confident120 Ų12070.6 Ų70.678%0.77937%0.368SS*.THydrogen-bonded Turntrans-55.2126.5175.3-25.133.8000111.3A367 N416P365-A367 VanDerWaalsContact C-N 3.3Å; P365-A367 PolarHBondContact O-N 3.22Å; P365-N416 PolarHBondContact O-ND2 2.73Å
366G76.9Confident85.8Confident43 Ų4370.3 Ų70.344%0.44337%0.371SS..THydrogen-bonded Turntrans78.24.9-178.800000115.6Y364Y364-G366 PolarHBondContact O-N 3.31Å
367A81.6Confident85.7Confident3 Ų369.7 Ų69.73%0.02537%0.369CS..  trans-87.513917200000111.6Y364 P365 N389 V415 N416Y364-A367 WeakPolarHBondContact O-CB 3.39Å; Y364-A367 PolarHBondContact O-N 3.45Å; P365-A367 VanDerWaalsContact C-N 3.3Å; P365-A367 PolarHBondContact O-N 3.22Å; A367-N389 PolarHBondContact O-ND2 3.48Å; A367-V415 WeakPolarHBondContact CA-O 3.44Å; A367-N416 HydrophobicContact CB-CB 4.13Å
368Y85.5Confident85.5Confident150 Ų15072.8 Ų72.859%0.58838%0.383SS*.EExtended strand (participates in β ladder)trans-104.7130.6172.5-61.4-83.2000109.9N389 S414 V415Y368-N389 VanDerWaalsContact CA-OD1 3.25Å; Y368-N389 WeakPolarHBondContact CA-OD1 3.48Å; Y368-S414 WeakPolarHBondContact O-CA 3.4Å; Y368-V415 PolarHBondContact N-O 3.46Å; Y368-V415 PolarHBondContact O-N 3.4Å
369N88.6Confident85.4Confident3 Ų376.9 Ų76.92%0.01641%0.406CS..EExtended strand (participates in β ladder)trans-105130177.3-51-55.3000110.1F371 Q386 N389 M412 V413 S414N369-F371 HydrophobicContact CB-CE2 4.08Å; N369-F371 HydrophobicContact CB-CZ 4.22Å; N369-Q386 PolarHBondContact O-NE2 2.04Å; N369-N389 VanDerWaalsContact CB-O 3.24Å; N369-N389 WeakPolarHBondContact CB-O 3.39Å; N369-N389 PolarHBondContact N-OD1 3.47Å; N369-N389 PolarHBondContact ND2-O 3.48Å; N369-M412 HydrophobicContact CB-CG 4.21Å; N369-M412 HydrophobicContact CB-SD 4.39Å; N369-V413 WeakPolarHBondContact CA-O 3.43Å; N369-S414 WeakPolarHBondContact OD1-CB 3.41Å; N369-S414 PolarHBondContact OD1-OG 2.81Å
370T90.1Very high85.5Confident79 Ų7972.5 Ų72.549%0.48539%0.394SS..EExtended strand (participates in β ladder)trans-115136.5172.4-54.20000108.8M412 V413T370-M412 WeakPolarHBondContact O-CA 3.42Å; T370-V413 PolarHBondContact N-O 3.15Å; T370-V413 PolarHBondContact O-N 3.12Å
371F93.3Very high86Confident16 Ų1672.9 Ų72.97%0.0740%0.395CS..EExtended strand (participates in β ladder)trans-113.4132.4-179.2-59-91.7000109.5I358 N369 I384 A392 E411 M412I358-F371 HydrophobicContact CB-CD1 4.43Å; I358-F371 HydrophobicContact CB-CE1 4.49Å; I358-F371 HydrophobicContact CG2-CD1 3.82Å; I358-F371 HydrophobicContact CG2-CE1 3.75Å; N369-F371 HydrophobicContact CB-CE2 4.08Å; N369-F371 HydrophobicContact CB-CZ 4.22Å; F371-I384 HydrophobicContact CB-CD1 4.4Å; F371-I384 HydrophobicContact CB-CG2 3.93Å; F371-A392 HydrophobicContact CB-CB 3.82Å; F371-A392 HydrophobicContact CD1-CB 4.25Å; F371-A392 HydrophobicContact CD2-CB 3.65Å; F371-A392 HydrophobicContact CE2-CB 4.26Å; F371-A392 HydrophobicContact CG-CB 3.64Å; F371-E411 WeakPolarHBondContact CA-O 3.1Å; F371-M412 HydrophobicContact CD1-CB 3.98Å; F371-M412 HydrophobicContact CD1-CG 3.97Å; F371-M412 HydrophobicContact CE1-CB 3.94Å; F371-M412 HydrophobicContact CE1-CG 3.57Å; F371-M412 HydrophobicContact CE1-SD 3.68Å; F371-M412 HydrophobicContact CZ-CG 4.05Å; F371-M412 HydrophobicContact CZ-SD 3.96Å
372R93.3Very high87Confident137 Ų13766.4 Ų66.452%0.51735%0.354SS..EExtended strand (participates in β ladder)trans-145.1153.3178.265-179.9-178.7-179-0.2112.2E411R372-E411 HydrophobicContact CG-CB 4.13Å; R372-E411 IonicContact CZ-OE2 3.63Å; R372-E411 PolarHBondContact N-O 3.24Å; R372-E411 IonicContact NE-OE2 2.83Å; R372-E411 PolarHBondContact NE-OE2 2.86Å; R372-E411 IonicContact NH2-OE1 3.69Å; R372-E411 IonicContact NH2-OE2 3.76Å; R372-E411 PolarHBondContact NH2-OE2 3.46Å; R372-E411 PolarHBondContact O-N 3.33Å
373I95.1Very high88.3Confident43 Ų4368.2 Ų68.222%0.22135%0.353CS..EExtended strand (participates in β ladder)trans-80.8117.9166.7-50.9173.8000106.6D377 F382 I384 L394 L410I373-D377 HydrophobicContact CD1-CB 4.39Å; I373-D377 HydrophobicContact CG2-CB 3.99Å; I373-F382 HydrophobicContact CD1-CB 3.94Å; I373-I384 HydrophobicContact CD1-CG1 4.31Å; I373-I384 HydrophobicContact CG1-CD1 3.73Å; I373-I384 HydrophobicContact CG1-CG1 3.76Å; I373-L394 HydrophobicContact CD1-CD1 4.16Å; I373-L394 HydrophobicContact CG1-CD1 4.49Å; I373-L410 HydrophobicContact CB-CD2 4.37Å; I373-L410 HydrophobicContact CG1-CD2 3.89Å; I373-L410 HydrophobicContact CG2-CD2 4.32Å
374R92.9Very high89.6Confident113 Ų11365.8 Ų65.843%0.42634%0.337SS..EExtended strand (participates in β ladder)trans-84.7-40.6-179.2-175.1-176.8176.8-161.51.9111.5D409 E411R374-D409 WeakPolarHBondContact CA-O 3.33Å; R374-D409 HydrophobicContact CB-CB 4.3Å; R374-D409 VanDerWaalsContact CB-O 3.25Å; R374-D409 WeakPolarHBondContact CB-O 3.03Å; R374-D409 PolarHBondContact N-O 3.42Å; R374-E411 HydrophobicContact CB-CB 4.3Å
375S93.6Very high90.6Very high55 Ų5565.6 Ų65.639%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-162.8165.9178.452.80000111D409S375-D409 PolarHBondContact O-N 3.15Å; S375-D409 WeakPolarHBondContact OG-CB 3.3Å; S375-D409 PolarHBondContact OG-OD2 3.44Å
376G91.7Very high91.5Very high17 Ų1764.5 Ų64.518%0.17532%0.32CS..SBendtrans104.6-14174.800000115T407 L408G376-T407 VanDerWaalsContact CA-O 3.26Å; G376-T407 WeakPolarHBondContact CA-O 3.01Å; G376-L408 WeakPolarHBondContact O-CD2 3.41Å
377D93.9Very high92.3Very high35 Ų3566.5 Ų66.519%0.18732%0.32CS..  trans-11177.6177.9179.832.3000110.1I373 G380 D381 F382 L408I373-D377 HydrophobicContact CD1-CB 4.39Å; I373-D377 HydrophobicContact CG2-CB 3.99Å; D377-G380 VanDerWaalsContact OD1-CA 3.32Å; D377-G380 WeakPolarHBondContact OD1-CA 3.36Å; D377-G380 PolarHBondContact OD1-N 3.46Å; D377-G380 VanDerWaalsContact OD1-N 3.12Å; D377-D381 PolarHBondContact OD1-N 2.89Å; D377-F382 HydrophobicContact CB-CD2 4.35Å; D377-F382 PolarHBondContact OD1-N 3.32Å; D377-F382 PolarHBondContact OD2-N 2.85Å; D377-L408 HydrophobicContact CB-CD2 4Å
378H89.4Confident92.7Very high171 Ų17169.8 Ų69.879%0.79234%0.337SS*.SBendtrans-77.8-30.6-175.9-63.588.9000112.4
379D90.6Very high92.8Very high104 Ų10465.4 Ų65.456%0.55632%0.324SS*.SBendtrans-95.1-8.2-173.7-62.1-53.2000113.3R398D379-R398 PolarHBondContact O-NH1 2.77Å
380G92.7Very high92.8Very high32 Ų3267.8 Ų67.833%0.3334%0.336SS..  trans73.735.9-17900000112.1D377D377-G380 VanDerWaalsContact OD1-CA 3.32Å; D377-G380 WeakPolarHBondContact OD1-CA 3.36Å; D377-G380 PolarHBondContact OD1-N 3.46Å; D377-G380 VanDerWaalsContact OD1-N 3.12Å
381D94.6Very high92.9Very high15 Ų1564.3 Ų64.38%0.0832%0.315CS..  trans-78.2-16.7179.3-63.7-36000111.4D377 A397 V400D377-D381 PolarHBondContact OD1-N 2.89Å; D381-A397 PolarHBondContact O-N 2.83Å; D381-V400 HydrophobicContact CB-CG1 4.1Å
382F96.3Very high93Very high7 Ų763.5 Ų63.53%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-124.7154.6-178.8-53.7-85.2000111.7I355 I373 D377 L394 V395 L396 Y406 L408 I431I355-F382 HydrophobicContact CD1-CD1 3.66Å; I355-F382 HydrophobicContact CD1-CE1 3.51Å; I373-F382 HydrophobicContact CD1-CB 3.94Å; D377-F382 HydrophobicContact CB-CD2 4.35Å; D377-F382 PolarHBondContact OD1-N 3.32Å; D377-F382 PolarHBondContact OD2-N 2.85Å; F382-L394 HydrophobicContact CB-CD1 4.03Å; F382-L394 HydrophobicContact CD1-CG 4.5Å; F382-V395 WeakPolarHBondContact CA-O 3.34Å; F382-L396 HydrophobicContact CD1-CD1 3.99Å; F382-L396 HydrophobicContact CE1-CD1 3.51Å; F382-L396 HydrophobicContact CZ-CD1 4.02Å; F382-Y406 AromaticContact CE2-CD1 3.57Å; F382-Y406 HydrophobicContact CE2-CD1 3.57Å; F382-Y406 HydrophobicContact CE2-CD2 4.43Å; F382-Y406 AromaticContact CE2-CE1 3.87Å; F382-Y406 HydrophobicContact CE2-CE1 3.87Å; F382-Y406 AromaticContact CE2-CG 3.87Å; F382-Y406 HydrophobicContact CE2-CG 3.87Å; F382-Y406 HydrophobicContact CZ-CD1 4.22Å; F382-Y406 HydrophobicContact CZ-CD2 4.28Å; F382-Y406 HydrophobicContact CZ-CG 4.08Å; F382-L408 HydrophobicContact CB-CD1 4.38Å; F382-L408 HydrophobicContact CD1-CD1 4.28Å; F382-L408 HydrophobicContact CD2-CD1 3.95Å; F382-L408 HydrophobicContact CD2-CD2 4.26Å; F382-L408 HydrophobicContact CE2-CD1 4.33Å; F382-L408 HydrophobicContact CG-CD1 3.93Å; F382-I431 HydrophobicContact CE1-CD1 3.93Å; F382-I431 HydrophobicContact CZ-CD1 4.15Å
383Y96.3Very high93.1Very high92 Ų9258 Ų5836%0.36129%0.292SS..EExtended strand (participates in β ladder)trans-147.5159.4164.468.7-82.6000110.7R385 V395 A397Y383-R385 HydrophobicContact CE2-CB 4.2Å; Y383-V395 HydrophobicContact CD1-CB 4.09Å; Y383-V395 HydrophobicContact CD1-CG1 4.41Å; Y383-V395 HydrophobicContact CD2-CB 4.42Å; Y383-V395 HydrophobicContact CE1-CB 3.65Å; Y383-V395 HydrophobicContact CE1-CG1 3.55Å; Y383-V395 HydrophobicContact CE2-CB 4.01Å; Y383-V395 HydrophobicContact CE2-CG1 4.4Å; Y383-V395 HydrophobicContact CE2-CG2 4.13Å; Y383-V395 HydrophobicContact CG-CB 4.46Å; Y383-V395 PolarHBondContact N-O 3Å; Y383-V395 PolarHBondContact O-N 3.31Å; Y383-V395 WeakPolarHBondContact OH-CG1 3.43Å; Y383-A397 HydrophobicContact CD1-CB 3.55Å; Y383-A397 HydrophobicContact CE1-CB 3.8Å
384I96.3Very high93.2Very high35 Ų3556 Ų5618%0.17928%0.281CS..EExtended strand (participates in β ladder)trans-99.6124.1175.8-67.5179.1000109.4I358 F371 I373 A392 M393 L394 L410I358-I384 HydrophobicContact CD1-CD1 4.27Å; F371-I384 HydrophobicContact CB-CD1 4.4Å; F371-I384 HydrophobicContact CB-CG2 3.93Å; I373-I384 HydrophobicContact CD1-CG1 4.31Å; I373-I384 HydrophobicContact CG1-CD1 3.73Å; I373-I384 HydrophobicContact CG1-CG1 3.76Å; I384-A392 HydrophobicContact CG2-CB 3.71Å; I384-M393 WeakPolarHBondContact CA-O 3.28Å; I384-L394 HydrophobicContact CG1-CD1 4.12Å; I384-L410 HydrophobicContact CD1-CD2 4.25Å
385R95.8Very high93.4Very high107 Ų10750.6 Ų50.640%0.40426%0.261SS..EExtended strand (participates in β ladder)trans-101.4112.4169.5-173.1174.267.9-152.6-4.6109.1D354 Y383 I387 A392 M393 V395D354-R385 IonicContact OD1-CZ 3.15Å; D354-R385 IonicContact OD1-NH1 3.87Å; D354-R385 IonicContact OD1-NH2 2.78Å; D354-R385 PolarHBondContact OD1-NH2 2.86Å; D354-R385 IonicContact OD2-CZ 3.71Å; D354-R385 IonicContact OD2-NH2 2.69Å; D354-R385 PolarHBondContact OD2-NH2 3.28Å; Y383-R385 HydrophobicContact CE2-CB 4.2Å; R385-I387 PolarHBondContact O-N 2.84Å; R385-A392 WeakPolarHBondContact O-CA 3.44Å; R385-M393 PolarHBondContact N-O 3.22Å; R385-M393 PolarHBondContact O-N 3.18Å; R385-V395 HydrophobicContact CB-CG2 4.06Å
386Q93.3Very high93.5Very high98 Ų9848 Ų4846%0.45824%0.243SC..EExtended strand (participates in β ladder)trans-70.4127.1176.2-172.9157.37.700110.4N369 N388N369-Q386 PolarHBondContact O-NE2 2.04Å; Q386-N388 WeakPolarHBondContact CG-O 3.26Å; Q386-N388 PolarHBondContact NE2-O 2.96Å; Q386-N388 VanDerWaalsContact NE2-O 3.13Å
387I93.5Very high93.7Very high85 Ų8549 Ų4944%0.43625%0.249SC..  trans-93.1-50.4179.5-58.7173.3000109.3R385 S391 M393R385-I387 PolarHBondContact O-N 2.84Å; I387-S391 PolarHBondContact N-O 3.49Å; I387-S391 VanDerWaalsContact N-O 3.07Å; I387-M393 HydrophobicContact CD1-CB 4.17Å; I387-M393 HydrophobicContact CD1-CE 4.37Å; I387-M393 HydrophobicContact CG1-CB 4.45Å
388N89.8Confident93.6Very high72 Ų7254 Ų5439%0.38527%0.265SS..SBendtrans-153.9-168.617861.146.3000110.2Q386 I390 S391Q386-N388 WeakPolarHBondContact CG-O 3.26Å; Q386-N388 PolarHBondContact NE2-O 2.96Å; Q386-N388 VanDerWaalsContact NE2-O 3.13Å; N388-I390 PolarHBondContact O-N 2.95Å; N388-I390 WeakPolarHBondContact OD1-CA 3.3Å; N388-I390 WeakPolarHBondContact OD1-CG1 3.08Å; N388-I390 PolarHBondContact OD1-N 3.01Å; N388-S391 PolarHBondContact N-O 3.42Å; N388-S391 VanDerWaalsContact N-O 3.12Å; N388-S391 PolarHBondContact ND2-OG 2.97Å; N388-S391 PolarHBondContact OD1-N 3.26Å; N388-S391 PolarHBondContact OD1-OG 2.77Å; N388-S391 VanDerWaalsContact OD1-OG 3.14Å
389N87.6Confident93.7Very high57 Ų5748.9 Ų48.931%0.30525%0.253SS..SBendtrans-71-8.3-178.4-167.439.1000114A367 Y368 N369A367-N389 PolarHBondContact O-ND2 3.48Å; Y368-N389 VanDerWaalsContact CA-OD1 3.25Å; Y368-N389 WeakPolarHBondContact CA-OD1 3.48Å; N369-N389 VanDerWaalsContact CB-O 3.24Å; N369-N389 WeakPolarHBondContact CB-O 3.39Å; N369-N389 PolarHBondContact N-OD1 3.47Å; N369-N389 PolarHBondContact ND2-O 3.48Å
390I88.8Confident93.7Very high53 Ų5344.1 Ų44.127%0.27223%0.228SC..SBendtrans-127.6-7.5-17664166.3000113Q359 A360 V363 N388Q359-I390 WeakPolarHBondContact CA-O 3.26Å; A360-I390 HydrophobicContact CB-CB 4.41Å; A360-I390 PolarHBondContact N-O 3.46Å; V363-I390 HydrophobicContact CB-CG2 4.37Å; V363-I390 HydrophobicContact CG1-CG2 3.86Å; V363-I390 HydrophobicContact CG2-CB 4.28Å; V363-I390 HydrophobicContact CG2-CG2 3.52Å; N388-I390 PolarHBondContact O-N 2.95Å; N388-I390 WeakPolarHBondContact OD1-CA 3.3Å; N388-I390 WeakPolarHBondContact OD1-CG1 3.08Å; N388-I390 PolarHBondContact OD1-N 3.01Å
391S92.4Very high93.6Very high6 Ų647.8 Ų47.84%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-142.8151.1178.767.90000113.9I358 I387 N388I358-S391 CarbonylContact O-C 3.45Å; I358-S391 WeakPolarHBondContact O-CA 3.21Å; I358-S391 VanDerWaalsContact O-CB 3.32Å; I358-S391 WeakPolarHBondContact O-CB 3.32Å; I387-S391 PolarHBondContact N-O 3.49Å; I387-S391 VanDerWaalsContact N-O 3.07Å; N388-S391 PolarHBondContact N-O 3.42Å; N388-S391 VanDerWaalsContact N-O 3.12Å; N388-S391 PolarHBondContact ND2-OG 2.97Å; N388-S391 PolarHBondContact OD1-N 3.26Å; N388-S391 PolarHBondContact OD1-OG 2.77Å; N388-S391 VanDerWaalsContact OD1-OG 3.14Å
392A95.1Very high93.2Very high0 Ų047.9 Ų47.90%025%0.248CC..EExtended strand (participates in β ladder)trans-142.4160.1174.400000110.1I358 F371 I384 R385I358-A392 PolarHBondContact N-O 3.12Å; I358-A392 PolarHBondContact O-N 3.47Å; F371-A392 HydrophobicContact CB-CB 3.82Å; F371-A392 HydrophobicContact CD1-CB 4.25Å; F371-A392 HydrophobicContact CD2-CB 3.65Å; F371-A392 HydrophobicContact CE2-CB 4.26Å; F371-A392 HydrophobicContact CG-CB 3.64Å; I384-A392 HydrophobicContact CG2-CB 3.71Å; R385-A392 WeakPolarHBondContact O-CA 3.44Å
393M96.3Very high93Very high21 Ų2152.9 Ų52.910%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-112.2129.1175.4-17061.372.500109.6D354 F356 Q357 I384 R385 I387 V395D354-M393 HydrophobicContact CB-CE 4.16Å; D354-M393 HydrophobicContact CB-CG 3.72Å; D354-M393 HydrophobicContact CB-SD 3.8Å; F356-M393 VanDerWaalsContact C-SD 3.51Å; F356-M393 VanDerWaalsContact O-SD 3.35Å; Q357-M393 HydrophobicContact CB-CE 3.92Å; Q357-M393 HydrophobicContact CB-SD 4.11Å; Q357-M393 HydrophobicContact CG-CE 4.25Å; I384-M393 WeakPolarHBondContact CA-O 3.28Å; R385-M393 PolarHBondContact N-O 3.22Å; R385-M393 PolarHBondContact O-N 3.18Å; I387-M393 HydrophobicContact CD1-CB 4.17Å; I387-M393 HydrophobicContact CD1-CE 4.37Å; I387-M393 HydrophobicContact CG1-CB 4.45Å; M393-V395 HydrophobicContact CB-CG2 4.24Å; M393-V395 HydrophobicContact CG-CG2 3.91Å
394L96.8Very high92.7Very high0 Ų052.7 Ų52.70%028%0.284CS..EExtended strand (participates in β ladder)trans-79.1123.4161.6-174.270.2000108I355 F356 I373 F382 I384 L408 L410 L429 I431I355-L394 HydrophobicContact CD1-CD2 3.81Å; I355-L394 HydrophobicContact CD1-CG 4.07Å; I355-L394 HydrophobicContact CG1-CB 4.29Å; I355-L394 HydrophobicContact CG1-CD2 4.08Å; I355-L394 HydrophobicContact CG1-CG 4.04Å; I355-L394 VanDerWaalsContact CG1-O 3.27Å; I355-L394 WeakPolarHBondContact CG1-O 3.29Å; I355-L394 PolarHBondContact N-O 3.2Å; F356-L394 HydrophobicContact CB-CB 4.06Å; F356-L394 HydrophobicContact CB-CD2 4.25Å; F356-L394 PolarHBondContact N-O 3.22Å; F356-L394 WeakPolarHBondContact O-CB 3.38Å; F356-L394 PolarHBondContact O-N 3.22Å; I373-L394 HydrophobicContact CD1-CD1 4.16Å; I373-L394 HydrophobicContact CG1-CD1 4.49Å; F382-L394 HydrophobicContact CB-CD1 4.03Å; F382-L394 HydrophobicContact CD1-CG 4.5Å; I384-L394 HydrophobicContact CG1-CD1 4.12Å; L394-L408 HydrophobicContact CD1-CD1 4.3Å; L394-L408 HydrophobicContact CD2-CD1 3.87Å; L394-L410 HydrophobicContact CD1-CD2 4.19Å; L394-L410 HydrophobicContact CD2-CD1 4.37Å; L394-L429 HydrophobicContact CD2-CD2 3.66Å; L394-I431 HydrophobicContact CD2-CD1 4.06Å
395V96.8Very high92.5Very high1 Ų155.1 Ų55.11%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-117131.8-176.8-173.20000108.8P352 S353 F382 Y383 R385 M393 A397P352-V395 HydrophobicContact CB-CG1 4.15Å; S353-V395 CarbonylContact O-C 3.59Å; S353-V395 WeakPolarHBondContact O-CA 3.36Å; S353-V395 WeakPolarHBondContact O-CG1 3.21Å; F382-V395 WeakPolarHBondContact CA-O 3.34Å; Y383-V395 HydrophobicContact CD1-CB 4.09Å; Y383-V395 HydrophobicContact CD1-CG1 4.41Å; Y383-V395 HydrophobicContact CD2-CB 4.42Å; Y383-V395 HydrophobicContact CE1-CB 3.65Å; Y383-V395 HydrophobicContact CE1-CG1 3.55Å; Y383-V395 HydrophobicContact CE2-CB 4.01Å; Y383-V395 HydrophobicContact CE2-CG1 4.4Å; Y383-V395 HydrophobicContact CE2-CG2 4.13Å; Y383-V395 HydrophobicContact CG-CB 4.46Å; Y383-V395 PolarHBondContact N-O 3Å; Y383-V395 PolarHBondContact O-N 3.31Å; Y383-V395 WeakPolarHBondContact OH-CG1 3.43Å; R385-V395 HydrophobicContact CB-CG2 4.06Å; M393-V395 HydrophobicContact CB-CG2 4.24Å; M393-V395 HydrophobicContact CG-CG2 3.91Å; V395-A397 PolarHBondContact O-N 2.04Å
396L96Very high92.5Very high0 Ų050.9 Ų50.90%028%0.279CS..EExtended strand (participates in β ladder)trans-75.5113.6168.6-176.268.1000108.2I345 R349 V351 P352 S353 I355 F382 R398 V400I345-L396 HydrophobicContact CD1-CD2 4.45Å; R349-L396 HydrophobicContact CB-CD2 4.46Å; V351-L396 HydrophobicContact CG1-CD2 3.64Å; V351-L396 HydrophobicContact CG1-CG 3.79Å; P352-L396 VanDerWaalsContact CA-O 3.23Å; P352-L396 WeakPolarHBondContact CA-O 3.44Å; S353-L396 PolarHBondContact N-O 3.2Å; S353-L396 VanDerWaalsContact N-O 3.12Å; S353-L396 PolarHBondContact O-N 3.19Å; I355-L396 HydrophobicContact CD1-CB 4.37Å; I355-L396 HydrophobicContact CG2-CB 3.95Å; F382-L396 HydrophobicContact CD1-CD1 3.99Å; F382-L396 HydrophobicContact CE1-CD1 3.51Å; F382-L396 HydrophobicContact CZ-CD1 4.02Å; L396-R398 VanDerWaalsContact CD1-O 3.24Å; L396-R398 WeakPolarHBondContact CD1-O 3.02Å; L396-R398 VanDerWaalsContact CG-O 3.26Å; L396-R398 WeakPolarHBondContact CG-O 3.45Å; L396-V400 HydrophobicContact CD1-CG1 3.92Å; L396-V400 HydrophobicContact CD1-CG2 4.11Å; L396-V400 HydrophobicContact CD2-CG2 4.29Å
397A94.7Very high92.5Very high37 Ų3749.1 Ų49.131%0.30627%0.274SS..  trans-86.1-32.1-177.900000112.5D381 Y383 V395D381-A397 PolarHBondContact O-N 2.83Å; Y383-A397 HydrophobicContact CD1-CB 3.55Å; Y383-A397 HydrophobicContact CE1-CB 3.8Å; V395-A397 PolarHBondContact O-N 2.04Å
398R92.3Very high92.6Very high140 Ų14045 Ų4553%0.52825%0.254SS..SBendtrans-132.8149.9-174.7-66.5-178.7-179.8160.76.2111D379 L396 V400D379-R398 PolarHBondContact O-NH1 2.77Å; L396-R398 VanDerWaalsContact CD1-O 3.24Å; L396-R398 WeakPolarHBondContact CD1-O 3.02Å; L396-R398 VanDerWaalsContact CG-O 3.26Å; L396-R398 WeakPolarHBondContact CG-O 3.45Å; R398-V400 PolarHBondContact O-N 3.33Å
399A91.4Very high92.8Very high64 Ų6442.4 Ų42.453%0.52924%0.24SC..  trans-63.5131175.600000108.7V351V351-A399 HydrophobicContact CG2-CB 4.37Å
400V91.1Very high93.2Very high5 Ų540 Ų403%0.0323%0.226CC..  trans-110.3138.8178-71.50000108.4I345 S347 D381 L396 R398 Y406 V433I345-V400 HydrophobicContact CD1-CG2 3.89Å; S347-V400 CarbonylContact C-O 3.49Å; S347-V400 VanDerWaalsContact CA-O 3.27Å; S347-V400 WeakPolarHBondContact CA-O 3.37Å; S347-V400 VanDerWaalsContact O-O 3.07Å; D381-V400 HydrophobicContact CB-CG1 4.1Å; L396-V400 HydrophobicContact CD1-CG1 3.92Å; L396-V400 HydrophobicContact CD1-CG2 4.11Å; L396-V400 HydrophobicContact CD2-CG2 4.29Å; R398-V400 PolarHBondContact O-N 3.33Å; V400-Y406 HydrophobicContact CB-CE2 4.42Å; V400-Y406 HydrophobicContact CG1-CE2 4.23Å; V400-V433 HydrophobicContact CB-CG2 4.42Å; V400-V433 HydrophobicContact CG2-CG1 3.92Å; V400-V433 HydrophobicContact CG2-CG2 3.9Å
401T89.9Confident93.4Very high109 Ų10938.2 Ų38.267%0.66922%0.217SC*.  trans-111.5121.1-178.9-340000109.2
402G87.6Confident93.3Very high16 Ų1639.2 Ų39.217%0.16522%0.222CC..SBendtrans-83.1173.2175.600000112.6S347 V433S347-G402 PolarHBondContact OG-N 3.47Å; G402-V433 WeakPolarHBondContact CA-O 3.06Å
403P90.8Very high93Very high113 Ų11340.1 Ų40.173%0.73423%0.227SC*.SBendcis-77.5123.2-0.130.4-32.7000111.9V433P403-V433 WeakPolarHBondContact CA-O 3.47Å
404Q90.8Very high92.5Very high88 Ų8839.2 Ų39.241%0.41122%0.223SC..EExtended strand (participates in β ladder)trans-152.2150.3178.8-169.2177.12.500111.2Y406 V433Q404-Y406 HydrophobicContact CB-CE2 4.36Å; Q404-Y406 HydrophobicContact CG-CE2 4.02Å; Q404-Y406 PolarHBondContact NE2-OH 3.48Å; Q404-Y406 PolarHBondContact OE1-OH 3.35Å; Q404-V433 PolarHBondContact N-O 2.82Å; Q404-V433 PolarHBondContact O-N 2.04Å
405E92.7Very high92Very high86 Ų8642 Ų4240%0.40224%0.24SC..EExtended strand (participates in β ladder)trans-114134.6172.9-176.1-177.7175.400110.9S430 I431 Y432E405-S430 PolarHBondContact OE1-OG 3.34Å; E405-I431 WeakPolarHBondContact CA-O 3.31Å; E405-Y432 HydrophobicContact CB-CD1 4.15Å; E405-Y432 HydrophobicContact CB-CE1 4.38Å; E405-Y432 HydrophobicContact CG-CD1 3.83Å; E405-Y432 HydrophobicContact CG-CE1 3.73Å
406Y94.3Very high91.5Very high18 Ų1842.1 Ų42.17%0.07124%0.24CC..EExtended strand (participates in β ladder)trans-110.7130.2169-64.6-98000109.5F382 V400 Q404 S430 I431 V433F382-Y406 AromaticContact CE2-CD1 3.57Å; F382-Y406 HydrophobicContact CE2-CD1 3.57Å; F382-Y406 HydrophobicContact CE2-CD2 4.43Å; F382-Y406 AromaticContact CE2-CE1 3.87Å; F382-Y406 HydrophobicContact CE2-CE1 3.87Å; F382-Y406 AromaticContact CE2-CG 3.87Å; F382-Y406 HydrophobicContact CE2-CG 3.87Å; F382-Y406 HydrophobicContact CZ-CD1 4.22Å; F382-Y406 HydrophobicContact CZ-CD2 4.28Å; F382-Y406 HydrophobicContact CZ-CG 4.08Å; V400-Y406 HydrophobicContact CB-CE2 4.42Å; V400-Y406 HydrophobicContact CG1-CE2 4.23Å; Q404-Y406 HydrophobicContact CB-CE2 4.36Å; Q404-Y406 HydrophobicContact CG-CE2 4.02Å; Q404-Y406 PolarHBondContact NE2-OH 3.48Å; Q404-Y406 PolarHBondContact OE1-OH 3.35Å; Y406-S430 CarbonylContact O-C 3.55Å; Y406-S430 VanDerWaalsContact O-CA 3.31Å; Y406-S430 WeakPolarHBondContact O-CA 3.29Å; Y406-I431 PolarHBondContact N-O 3.4Å; Y406-I431 PolarHBondContact O-N 2.64Å; Y406-V433 HydrophobicContact CD2-CG2 3.94Å; Y406-V433 HydrophobicContact CE2-CG2 3.79Å
407T94.7Very high90.7Very high60 Ų6046.1 Ų46.137%0.36827%0.266SS..EExtended strand (participates in β ladder)trans-111.699.9170.4-61.40000109.1G376 R428G376-T407 VanDerWaalsContact CA-O 3.26Å; G376-T407 WeakPolarHBondContact CA-O 3.01Å; T407-R428 HydrophobicContact CG2-CG 3.79Å
408L95.8Very high90.1Very high0 Ų051.5 Ų51.50%029%0.289CS..EExtended strand (participates in β ladder)trans-95.6127.1-179-55-175.8000110.7G376 D377 F382 L394 L410 R428 L429 I431G376-L408 WeakPolarHBondContact O-CD2 3.41Å; D377-L408 HydrophobicContact CB-CD2 4Å; F382-L408 HydrophobicContact CB-CD1 4.38Å; F382-L408 HydrophobicContact CD1-CD1 4.28Å; F382-L408 HydrophobicContact CD2-CD1 3.95Å; F382-L408 HydrophobicContact CD2-CD2 4.26Å; F382-L408 HydrophobicContact CE2-CD1 4.33Å; F382-L408 HydrophobicContact CG-CD1 3.93Å; L394-L408 HydrophobicContact CD1-CD1 4.3Å; L394-L408 HydrophobicContact CD2-CD1 3.87Å; L408-L410 HydrophobicContact CB-CD2 3.99Å; L408-L410 HydrophobicContact CB-CG 4.33Å; L408-L410 HydrophobicContact CD1-CD2 4.5Å; L408-R428 CarbonylContact O-C 3.57Å; L408-R428 WeakPolarHBondContact O-CA 3.05Å; L408-L429 PolarHBondContact N-O 2.85Å; L408-L429 PolarHBondContact O-N 3.26Å; L408-I431 HydrophobicContact CD1-CD1 3.74Å; L408-I431 HydrophobicContact CG-CD1 4.35Å
409D94.1Very high89.5Confident17 Ų1751.2 Ų51.29%0.09130%0.297CS..EExtended strand (participates in β ladder)trans-94.8104.7167.6-76.4-25.8000108.8R374 S375 R428R374-D409 WeakPolarHBondContact CA-O 3.33Å; R374-D409 HydrophobicContact CB-CB 4.3Å; R374-D409 VanDerWaalsContact CB-O 3.25Å; R374-D409 WeakPolarHBondContact CB-O 3.03Å; R374-D409 PolarHBondContact N-O 3.42Å; S375-D409 PolarHBondContact O-N 3.15Å; S375-D409 WeakPolarHBondContact OG-CB 3.3Å; S375-D409 PolarHBondContact OG-OD2 3.44Å; D409-R428 WeakPolarHBondContact OD1-CB 3.44Å; D409-R428 WeakPolarHBondContact OD1-CG 3.44Å; D409-R428 IonicContact OD1-CZ 3.66Å; D409-R428 IonicContact OD1-NE 3.84Å; D409-R428 PolarHBondContact OD1-NE 2.89Å; D409-R428 IonicContact OD1-NH2 3.3Å; D409-R428 PolarHBondContact OD1-NH2 2.97Å; D409-R428 IonicContact OD2-CZ 3.59Å; D409-R428 IonicContact OD2-NE 3.69Å; D409-R428 IonicContact OD2-NH2 2.81Å; D409-R428 PolarHBondContact OD2-NH2 3.29Å
410L94.6Very high88.6Confident5 Ų553.8 Ų53.83%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-95.8121.6179.9-50.3176.4000108.7I358 I373 I384 L394 L408 A426 L427 L429I358-L410 HydrophobicContact CD1-CB 4.46Å; I358-L410 HydrophobicContact CD1-CD1 3.85Å; I358-L410 HydrophobicContact CG1-CD1 4.4Å; I373-L410 HydrophobicContact CB-CD2 4.37Å; I373-L410 HydrophobicContact CG1-CD2 3.89Å; I373-L410 HydrophobicContact CG2-CD2 4.32Å; I384-L410 HydrophobicContact CD1-CD2 4.25Å; L394-L410 HydrophobicContact CD1-CD2 4.19Å; L394-L410 HydrophobicContact CD2-CD1 4.37Å; L408-L410 HydrophobicContact CB-CD2 3.99Å; L408-L410 HydrophobicContact CB-CG 4.33Å; L408-L410 HydrophobicContact CD1-CD2 4.5Å; L410-A426 CarbonylContact O-C 3.48Å; L410-A426 VanDerWaalsContact O-CA 3.27Å; L410-A426 WeakPolarHBondContact O-CA 3.46Å; L410-L427 HydrophobicContact CB-CB 4.29Å; L410-L427 HydrophobicContact CD1-CD2 4.1Å; L410-L427 HydrophobicContact CD1-CG 4.48Å; L410-L427 PolarHBondContact N-O 3.33Å; L410-L427 PolarHBondContact O-N 3.29Å; L410-L429 HydrophobicContact CD1-CB 4.25Å; L410-L429 HydrophobicContact CD1-CD2 4.1Å
411E92.4Very high87.8Confident17 Ų1757.9 Ų57.98%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-107.2130.9-176.9-171-178.8-158.500111.1F371 R372 R374 V413 S424F371-E411 WeakPolarHBondContact CA-O 3.1Å; R372-E411 HydrophobicContact CG-CB 4.13Å; R372-E411 IonicContact CZ-OE2 3.63Å; R372-E411 PolarHBondContact N-O 3.24Å; R372-E411 IonicContact NE-OE2 2.83Å; R372-E411 PolarHBondContact NE-OE2 2.86Å; R372-E411 IonicContact NH2-OE1 3.69Å; R372-E411 IonicContact NH2-OE2 3.76Å; R372-E411 PolarHBondContact NH2-OE2 3.46Å; R372-E411 PolarHBondContact O-N 3.33Å; R374-E411 HydrophobicContact CB-CB 4.3Å; E411-V413 HydrophobicContact CG-CG2 3.98Å; E411-S424 WeakPolarHBondContact CG-OG 3.08Å; E411-S424 WeakPolarHBondContact OE1-CB 3.38Å; E411-S424 PolarHBondContact OE1-OG 3.07Å
412M90.9Very high87.4Confident27 Ų2759.5 Ų59.513%0.13333%0.327CS..EExtended strand (participates in β ladder)trans-105.1116.7166.5-177.2-17373.300108.9A360 N369 T370 F371 S424 S425A360-M412 HydrophobicContact CB-CE 4.35Å; A360-M412 HydrophobicContact CB-SD 3.57Å; A360-M412 VanDerWaalsContact CB-SD 3.57Å; N369-M412 HydrophobicContact CB-CG 4.21Å; N369-M412 HydrophobicContact CB-SD 4.39Å; T370-M412 WeakPolarHBondContact O-CA 3.42Å; F371-M412 HydrophobicContact CD1-CB 3.98Å; F371-M412 HydrophobicContact CD1-CG 3.97Å; F371-M412 HydrophobicContact CE1-CB 3.94Å; F371-M412 HydrophobicContact CE1-CG 3.57Å; F371-M412 HydrophobicContact CE1-SD 3.68Å; F371-M412 HydrophobicContact CZ-CG 4.05Å; F371-M412 HydrophobicContact CZ-SD 3.96Å; M412-S424 WeakPolarHBondContact O-CA 3.13Å; M412-S425 PolarHBondContact N-O 2.03Å; M412-S425 PolarHBondContact O-N 2.87Å
413V88.9Confident87.1Confident19 Ų1960 Ų6012%0.11533%0.327CS..EExtended strand (participates in β ladder)trans-103120.1173.4-1750000108.2N369 T370 E411 V415 Q422N369-V413 WeakPolarHBondContact CA-O 3.43Å; T370-V413 PolarHBondContact N-O 3.15Å; T370-V413 PolarHBondContact O-N 3.12Å; E411-V413 HydrophobicContact CG-CG2 3.98Å; V413-V415 HydrophobicContact CG1-CG2 4.01Å; V413-Q422 HydrophobicContact CG1-CG 4.28Å
414S86.9Confident86.8Confident2 Ų255.7 Ų55.71%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-106122.8175.5-164.70000109.5Y368 N369 Q422 T423Y368-S414 WeakPolarHBondContact O-CA 3.4Å; N369-S414 WeakPolarHBondContact OD1-CB 3.41Å; N369-S414 PolarHBondContact OD1-OG 2.81Å; S414-Q422 WeakPolarHBondContact O-CA 3.39Å; S414-T423 PolarHBondContact N-O 2.85Å; S414-T423 PolarHBondContact O-N 2.78Å
415V86.6Confident86.7Confident59 Ų5952.9 Ų52.936%0.35829%0.289SS..EExtended strand (participates in β ladder)trans-120.8124.1-179.4-176.60000109.1A367 Y368 V413 Q422A367-V415 WeakPolarHBondContact CA-O 3.44Å; Y368-V415 PolarHBondContact N-O 3.46Å; Y368-V415 PolarHBondContact O-N 3.4Å; V413-V415 HydrophobicContact CG1-CG2 4.01Å; V415-Q422 HydrophobicContact CG2-CG 4.36Å
416N84.8Confident86.7Confident3 Ų349 Ų492%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-111.9102.5169.7-169.3-41000109.8P365 A367 L418 L419 S420 Y421P365-N416 PolarHBondContact O-ND2 2.73Å; A367-N416 HydrophobicContact CB-CB 4.13Å; N416-L418 PolarHBondContact O-N 2.9Å; N416-L418 WeakPolarHBondContact OD1-CB 3.48Å; N416-L418 PolarHBondContact OD1-N 2.79Å; N416-L419 HydrophobicContact CB-CB 4.47Å; N416-L419 PolarHBondContact O-N 3.43Å; N416-L419 PolarHBondContact OD1-N 3.41Å; N416-S420 PolarHBondContact O-N 2.63Å; N416-S420 VanDerWaalsContact O-N 3.13Å; N416-Y421 PolarHBondContact N-O 3.42Å; N416-Y421 PolarHBondContact O-N 3Å
417P80.7Confident86.6Confident83 Ų8349.3 Ų49.354%0.53928%0.275SS..THydrogen-bonded Turntrans-63.6-29.2-177.1-20.531.5000113.5
418L82Confident86.5Confident151 Ų15149.2 Ų49.279%0.79127%0.268SS*.THydrogen-bonded Turntrans-75.7-28.5-176.4-61173.7000112.3N416N416-L418 PolarHBondContact O-N 2.9Å; N416-L418 WeakPolarHBondContact OD1-CB 3.48Å; N416-L418 PolarHBondContact OD1-N 2.79Å
419L78Confident86.5Confident133 Ų13349.2 Ų49.270%0.69627%0.268SS*.THydrogen-bonded Turntrans-108.23.4-177.5-65.5173.7000113.2N416 Y421N416-L419 HydrophobicContact CB-CB 4.47Å; N416-L419 PolarHBondContact O-N 3.43Å; N416-L419 PolarHBondContact OD1-N 3.41Å; L419-Y421 PolarHBondContact O-N 2.86Å; L419-Y421 VanDerWaalsContact O-N 3.12Å
420S74.4Confident86.5Confident118 Ų11848.7 Ų48.783%0.82527%0.265SS*.THydrogen-bonded Turntrans48.336.2-172.7-60.50000112.7N416N416-S420 PolarHBondContact O-N 2.63Å; N416-S420 VanDerWaalsContact O-N 3.13Å
421Y73.3Confident86.5Confident91 Ų9148.4 Ų48.436%0.35726%0.264SS..EExtended strand (participates in β ladder)trans-104.7123.6-175.1174.7-99.1000109.4Y364 N416 L419 T423Y364-Y421 HydrophobicContact CD2-CE1 4.44Å; Y364-Y421 HydrophobicContact CE2-CE1 4.33Å; N416-Y421 PolarHBondContact N-O 3.42Å; N416-Y421 PolarHBondContact O-N 3Å; L419-Y421 PolarHBondContact O-N 2.86Å; L419-Y421 VanDerWaalsContact O-N 3.12Å; Y421-T423 HydrophobicContact CD1-CG2 4.46Å; Y421-T423 HydrophobicContact CE1-CG2 3.45Å; Y421-T423 VanDerWaalsContact CE1-CG2 3.45Å; Y421-T423 WeakPolarHBondContact OH-CB 3.06Å; Y421-T423 WeakPolarHBondContact OH-CG2 3.29Å
422Q80.6Confident86.6Confident144 Ų14448.2 Ų48.267%0.67326%0.262SS*.EExtended strand (participates in β ladder)trans-125.2126.8172.1-177.7176.2-1.600108.5V413 S414 V415V413-Q422 HydrophobicContact CG1-CG 4.28Å; S414-Q422 WeakPolarHBondContact O-CA 3.39Å; V415-Q422 HydrophobicContact CG2-CG 4.36Å
423T81.2Confident86.7Confident27 Ų2747.2 Ų47.217%0.16626%0.258CS..EExtended strand (participates in β ladder)trans-129.7143.7172.5-176.30000109.7S414 Y421S414-T423 PolarHBondContact N-O 2.85Å; S414-T423 PolarHBondContact O-N 2.78Å; Y421-T423 HydrophobicContact CD1-CG2 4.46Å; Y421-T423 HydrophobicContact CE1-CG2 3.45Å; Y421-T423 VanDerWaalsContact CE1-CG2 3.45Å; Y421-T423 WeakPolarHBondContact OH-CB 3.06Å; Y421-T423 WeakPolarHBondContact OH-CG2 3.29Å
424S86.3Confident86.8Confident21 Ų2146.4 Ų46.415%0.14725%0.254CS..EExtended strand (participates in β ladder)trans-119.6135.5174.2170.80000109F336 E411 M412F336-S424 PolarHBondContact N-O 2.88Å; E411-S424 WeakPolarHBondContact CG-OG 3.08Å; E411-S424 WeakPolarHBondContact OE1-CB 3.38Å; E411-S424 PolarHBondContact OE1-OG 3.07Å; M412-S424 WeakPolarHBondContact O-CA 3.13Å
425S88.4Confident86.7Confident29 Ų2948.9 Ų48.920%0.20327%0.27CS..EExtended strand (participates in β ladder)trans-128.6140.5169.7-650000108.8S337 M412S337-S425 PolarHBondContact OG-OG 2.73Å; M412-S425 PolarHBondContact N-O 2.03Å; M412-S425 PolarHBondContact O-N 2.87Å
426A91.4Very high86.6Confident6 Ų649.9 Ų49.95%0.0527%0.267CS..EExtended strand (participates in β ladder)trans-114145.2178.100000111.1P335 S337 I338 V339 L410P335-A426 HydrophobicContact CB-CB 3.68Å; P335-A426 HydrophobicContact CG-CB 3.68Å; S337-A426 PolarHBondContact O-N 3.37Å; I338-A426 CarbonylContact C-O 3.5Å; I338-A426 VanDerWaalsContact CA-O 3.26Å; I338-A426 WeakPolarHBondContact CA-O 3.45Å; I338-A426 HydrophobicContact CG1-CB 4.37Å; V339-A426 PolarHBondContact N-O 2.9Å; L410-A426 CarbonylContact O-C 3.48Å; L410-A426 VanDerWaalsContact O-CA 3.27Å; L410-A426 WeakPolarHBondContact O-CA 3.46Å
427L92.3Very high86Confident23 Ų2351.2 Ų51.212%0.1228%0.279CS..EExtended strand (participates in β ladder)trans-114.7112.8168.6167.264.2000106.7V339 R341 F356 L410V339-L427 HydrophobicContact CB-CD1 4.1Å; V339-L427 HydrophobicContact CG1-CD1 4.07Å; V339-L427 CarbonylContact O-C 3.58Å; V339-L427 WeakPolarHBondContact O-CA 3.39Å; V339-L427 WeakPolarHBondContact O-CD1 3.45Å; R341-L427 HydrophobicContact CB-CD1 3.92Å; R341-L427 HydrophobicContact CG-CD1 3.53Å; F356-L427 HydrophobicContact CD1-CD2 4.33Å; F356-L427 HydrophobicContact CE1-CD2 3.45Å; F356-L427 VanDerWaalsContact CE1-CD2 3.45Å; F356-L427 HydrophobicContact CZ-CD2 3.98Å; L410-L427 HydrophobicContact CB-CB 4.29Å; L410-L427 HydrophobicContact CD1-CD2 4.1Å; L410-L427 HydrophobicContact CD1-CG 4.48Å; L410-L427 PolarHBondContact N-O 3.33Å; L410-L427 PolarHBondContact O-N 3.29Å
428R93.7Very high85.8Confident59 Ų5950.9 Ų50.922%0.22327%0.269CS..EExtended strand (participates in β ladder)trans-86108.8169.4-179.3162.8-69.7174.7-3.2108.2I338 V339 Q340 R341 T407 L408 D409I338-R428 HydrophobicContact CG2-CB 4.16Å; V339-R428 PolarHBondContact O-N 2.86Å; Q340-R428 CarbonylContact C-O 3.59Å; Q340-R428 WeakPolarHBondContact CA-O 3.28Å; Q340-R428 HydrophobicContact CG-CB 4.4Å; R341-R428 PolarHBondContact N-O 3.32Å; T407-R428 HydrophobicContact CG2-CG 3.79Å; L408-R428 CarbonylContact O-C 3.57Å; L408-R428 WeakPolarHBondContact O-CA 3.05Å; D409-R428 WeakPolarHBondContact OD1-CB 3.44Å; D409-R428 WeakPolarHBondContact OD1-CG 3.44Å; D409-R428 IonicContact OD1-CZ 3.66Å; D409-R428 IonicContact OD1-NE 3.84Å; D409-R428 PolarHBondContact OD1-NE 2.89Å; D409-R428 IonicContact OD1-NH2 3.3Å; D409-R428 PolarHBondContact OD1-NH2 2.97Å; D409-R428 IonicContact OD2-CZ 3.59Å; D409-R428 IonicContact OD2-NE 3.69Å; D409-R428 IonicContact OD2-NH2 2.81Å; D409-R428 PolarHBondContact OD2-NH2 3.29Å
429L94.9Very high86Confident0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-107113.1-178.9-178.165.9000109.2R341 M343 F356 L394 L408 L410 I431R341-L429 HydrophobicContact CB-CD1 3.73Å; R341-L429 WeakPolarHBondContact O-CA 3.45Å; M343-L429 HydrophobicContact CG-CD1 4.02Å; M343-L429 HydrophobicContact CG-CG 4.5Å; M343-L429 HydrophobicContact SD-CD1 4.06Å; M343-L429 HydrophobicContact SD-CD2 3.97Å; M343-L429 HydrophobicContact SD-CG 4.35Å; F356-L429 HydrophobicContact CB-CD2 4.13Å; F356-L429 HydrophobicContact CD1-CD2 4.16Å; F356-L429 HydrophobicContact CD2-CD1 4.15Å; F356-L429 HydrophobicContact CD2-CD2 4.26Å; F356-L429 HydrophobicContact CE2-CD1 4.07Å; F356-L429 HydrophobicContact CG-CD2 3.92Å; F356-L429 HydrophobicContact CZ-CD1 4.44Å; L394-L429 HydrophobicContact CD2-CD2 3.66Å; L408-L429 PolarHBondContact N-O 2.85Å; L408-L429 PolarHBondContact O-N 3.26Å; L410-L429 HydrophobicContact CD1-CB 4.25Å; L410-L429 HydrophobicContact CD1-CD2 4.1Å; L429-I431 HydrophobicContact CD2-CD1 3.96Å; L429-I431 HydrophobicContact CD2-CG1 3.98Å; L429-I431 HydrophobicContact CG-CD1 4.34Å; L429-I431 HydrophobicContact CG-CG1 3.85Å
430S94.6Very high86.4Confident5 Ų541.3 Ų41.34%0.03522%0.219CC..EExtended strand (participates in β ladder)trans-88.8120.5168.2-76.90000109.1R341 Y342 M343 E405 Y406R341-S430 PolarHBondContact O-N 3.02Å; Y342-S430 WeakPolarHBondContact CA-O 3.27Å; M343-S430 PolarHBondContact N-O 3.03Å; E405-S430 PolarHBondContact OE1-OG 3.34Å; Y406-S430 CarbonylContact O-C 3.55Å; Y406-S430 VanDerWaalsContact O-CA 3.31Å; Y406-S430 WeakPolarHBondContact O-CA 3.29Å
431I94.7Very high87.1Confident0 Ų037.1 Ų37.10%019%0.186CC..EExtended strand (participates in β ladder)trans-112.6116.4178.9-52.4173.3000107.7M343 I345 I355 F382 L394 E405 Y406 L408 L429M343-I431 HydrophobicContact CG-CB 4.32Å; M343-I431 HydrophobicContact CG-CG1 3.9Å; M343-I431 HydrophobicContact CG-CG2 4.25Å; M343-I431 WeakPolarHBondContact O-CA 3.42Å; M343-I431 HydrophobicContact SD-CG1 4.13Å; I345-I431 HydrophobicContact CD1-CG2 3.83Å; I345-I431 HydrophobicContact CG1-CG2 3.82Å; I345-I431 HydrophobicContact CG2-CG2 4.4Å; I355-I431 HydrophobicContact CD1-CD1 4.09Å; F382-I431 HydrophobicContact CE1-CD1 3.93Å; F382-I431 HydrophobicContact CZ-CD1 4.15Å; L394-I431 HydrophobicContact CD2-CD1 4.06Å; E405-I431 WeakPolarHBondContact CA-O 3.31Å; Y406-I431 PolarHBondContact N-O 3.4Å; Y406-I431 PolarHBondContact O-N 2.64Å; L408-I431 HydrophobicContact CD1-CD1 3.74Å; L408-I431 HydrophobicContact CG-CD1 4.35Å; L429-I431 HydrophobicContact CD2-CD1 3.96Å; L429-I431 HydrophobicContact CD2-CG1 3.98Å; L429-I431 HydrophobicContact CG-CD1 4.34Å; L429-I431 HydrophobicContact CG-CG1 3.85Å
432Y94.2Very high87.9Confident13 Ų1333.9 Ų33.95%0.05118%0.176CC..EExtended strand (participates in β ladder)trans-96.1122.4175.6-55.6-82.8000109.5V296 I298 Q303 Y342 M343 S344 I345 E405V296-Y432 HydrophobicContact CG1-CE2 4.45Å; I298-Y432 HydrophobicContact CB-CG 4.34Å; I298-Y432 HydrophobicContact CD1-CD1 4.35Å; I298-Y432 HydrophobicContact CD1-CG 4.44Å; I298-Y432 HydrophobicContact CG2-CD1 4.33Å; I298-Y432 HydrophobicContact CG2-CD2 3.39Å; I298-Y432 HydrophobicContact CG2-CE2 3.95Å; I298-Y432 HydrophobicContact CG2-CG 3.61Å; Q303-Y432 HydrophobicContact CB-CE1 4.45Å; Q303-Y432 HydrophobicContact CG-CE1 3.94Å; Q303-Y432 WeakPolarHBondContact CG-OH 3.02Å; Y342-Y432 AromaticContact CD1-CE2 3.99Å; Y342-Y432 HydrophobicContact CD1-CE2 3.99Å; M343-Y432 WeakPolarHBondContact O-CD2 3.43Å; M343-Y432 PolarHBondContact O-N 3.22Å; S344-Y432 CarbonylContact C-O 3.35Å; S344-Y432 WeakPolarHBondContact CA-O 3Å; I345-Y432 PolarHBondContact N-O 3Å; E405-Y432 HydrophobicContact CB-CD1 4.15Å; E405-Y432 HydrophobicContact CB-CE1 4.38Å; E405-Y432 HydrophobicContact CG-CD1 3.83Å; E405-Y432 HydrophobicContact CG-CE1 3.73Å
433V93.1Very high88.3Confident5 Ų527 Ų273%0.0315%0.145CC..EExtended strand (participates in β ladder)trans-96.5111.8177.6-171.40000108.5I345 V400 G402 P403 Q404 Y406I345-V433 HydrophobicContact CD1-CG2 4.11Å; I345-V433 HydrophobicContact CG1-CB 4.47Å; I345-V433 HydrophobicContact CG1-CG1 4.45Å; I345-V433 HydrophobicContact CG1-CG2 3.92Å; I345-V433 CarbonylContact O-C 3.59Å; I345-V433 WeakPolarHBondContact O-CA 3.46Å; V400-V433 HydrophobicContact CB-CG2 4.42Å; V400-V433 HydrophobicContact CG2-CG1 3.92Å; V400-V433 HydrophobicContact CG2-CG2 3.9Å; G402-V433 WeakPolarHBondContact CA-O 3.06Å; P403-V433 WeakPolarHBondContact CA-O 3.47Å; Q404-V433 PolarHBondContact N-O 2.82Å; Q404-V433 PolarHBondContact O-N 2.04Å; Y406-V433 HydrophobicContact CD2-CG2 3.94Å; Y406-V433 HydrophobicContact CE2-CG2 3.79Å
434G90.3Very high88.8Confident3 Ų327 Ų273%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-70.2147.8176.300000112.1I345 S347 Y436I345-G434 PolarHBondContact O-N 3.39Å; S347-G434 PolarHBondContact N-O 2.89Å; S347-G434 PolarHBondContact OG-O 3.16Å; G434-Y436 VanDerWaalsContact C-N 3.27Å; G434-Y436 PolarHBondContact O-N 3.24Å
435P85.5Confident89Confident54 Ų5427.4 Ų27.435%0.35114%0.143SC..SBendtrans-68-26.7-179.726.6-32.9000113
436Y85Confident89Confident79 Ų7927.3 Ų27.331%0.3114%0.138SC..  trans-118163.6-177.3-53-68.4000112.2F251 P265 Y268 T346 G434 F438F251-Y436 HydrophobicContact CD2-CD1 4.28Å; F251-Y436 HydrophobicContact CD2-CE1 4.06Å; F251-Y436 HydrophobicContact CE2-CD1 4.04Å; F251-Y436 AromaticContact CE2-CE1 3.38Å; F251-Y436 HydrophobicContact CE2-CE1 3.38Å; F251-Y436 AromaticContact CE2-CZ 3.81Å; F251-Y436 HydrophobicContact CZ-CE1 4.06Å; P265-Y436 HydrophobicContact CB-CD2 4.07Å; P265-Y436 HydrophobicContact CB-CE2 3.44Å; P265-Y436 VanDerWaalsContact CB-CE2 3.44Å; P265-Y436 HydrophobicContact CG-CD2 3.51Å; P265-Y436 HydrophobicContact CG-CE2 3.42Å; P265-Y436 VanDerWaalsContact CG-CE2 3.42Å; P265-Y436 HydrophobicContact CG-CG 4.15Å; Y268-Y436 AromaticContact CE2-CD2 3.88Å; Y268-Y436 HydrophobicContact CE2-CD2 3.88Å; T346-Y436 WeakPolarHBondContact CB-O 3.39Å; T346-Y436 VanDerWaalsContact CG2-O 3.31Å; T346-Y436 WeakPolarHBondContact CG2-O 3.34Å; G434-Y436 VanDerWaalsContact C-N 3.27Å; G434-Y436 PolarHBondContact O-N 3.24Å; Y436-F438 HydrophobicContact CD1-CE2 4.2Å; Y436-F438 AromaticContact CD1-CZ 3.95Å; Y436-F438 HydrophobicContact CD1-CZ 3.95Å; Y436-F438 HydrophobicContact CD2-CE2 4.02Å; Y436-F438 HydrophobicContact CG-CD2 4.43Å; Y436-F438 AromaticContact CG-CE2 3.57Å; Y436-F438 HydrophobicContact CG-CE2 3.57Å; Y436-F438 AromaticContact CG-CZ 3.79Å; Y436-F438 HydrophobicContact CG-CZ 3.79Å
437A72.4Confident88.8Confident32 Ų3229.1 Ų29.126%0.26415%0.146SC..  trans-112.622-171.900000115.6E348E348-A437 HydrophobicContact CB-CB 3.56Å; E348-A437 HydrophobicContact CG-CB 3.73Å
438F75.1Confident88.5Confident76 Ų7629.6 Ų29.633%0.33315%0.148SC..  trans-670-168-50.3-45.8000116Q250 F251 P265 Y268 C276 Y436Q250-F438 HydrophobicContact CB-CD1 4.38Å; Q250-F438 VanDerWaalsContact CD-CD1 3.42Å; Q250-F438 HydrophobicContact CG-CD1 3.46Å; Q250-F438 VanDerWaalsContact CG-CD1 3.46Å; Q250-F438 HydrophobicContact CG-CE1 3.89Å; Q250-F438 HydrophobicContact CG-CG 4.37Å; Q250-F438 VanDerWaalsContact NE2-CA 3.26Å; Q250-F438 PolarHBondContact NE2-OXT 2.82Å; Q250-F438 VanDerWaalsContact NE2-OXT 3.12Å; Q250-F438 WeakPolarHBondContact O-CE1 3.36Å; F251-F438 HydrophobicContact CB-CE1 4.1Å; F251-F438 HydrophobicContact CB-CE2 4.35Å; F251-F438 HydrophobicContact CB-CZ 3.59Å; F251-F438 AromaticContact CD2-CZ 3.68Å; F251-F438 HydrophobicContact CD2-CZ 3.68Å; F251-F438 AromaticContact CG-CZ 3.89Å; F251-F438 HydrophobicContact CG-CZ 3.89Å; P265-F438 HydrophobicContact CG-CE2 3.53Å; P265-F438 HydrophobicContact CG-CZ 4.2Å; Y268-F438 AromaticContact CD1-CD2 3.68Å; Y268-F438 HydrophobicContact CD1-CD2 3.68Å; Y268-F438 HydrophobicContact CD1-CE2 4.45Å; Y268-F438 HydrophobicContact CE1-CB 4.42Å; Y268-F438 AromaticContact CE1-CD2 3.69Å; Y268-F438 HydrophobicContact CE1-CD2 3.69Å; Y268-F438 HydrophobicContact CG-CD2 4.16Å; C276-F438 HydrophobicContact CB-CB 4.23Å; C276-F438 HydrophobicContact CB-CD1 4.49Å; C276-F438 HydrophobicContact CB-CD2 3.64Å; C276-F438 HydrophobicContact CB-CE2 4.11Å; C276-F438 HydrophobicContact CB-CG 3.86Å; C276-F438 WeakPolarHBondContact O-CB 3.45Å; Y436-F438 HydrophobicContact CD1-CE2 4.2Å; Y436-F438 AromaticContact CD1-CZ 3.95Å; Y436-F438 HydrophobicContact CD1-CZ 3.95Å; Y436-F438 HydrophobicContact CD2-CE2 4.02Å; Y436-F438 HydrophobicContact CG-CD2 4.43Å; Y436-F438 AromaticContact CG-CE2 3.57Å; Y436-F438 HydrophobicContact CG-CE2 3.57Å; Y436-F438 AromaticContact CG-CZ 3.79Å; Y436-F438 HydrophobicContact CG-CZ 3.79Å

Retrieved 438 of 438 residues in 463.8 ms (Link to these results)