A0A087WRP1_MOUSE Loading...

Amyloid beta precursor protein binding family B member 1

AlphaFold DB , UniProt , Accession A0A087WRP1, Species MOUSE (Mus musculus, Mouse), Gene Apbb1, Length 223 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
1M88.8Confident90.2Very high129 Ų12986.5 Ų86.564%0.63546%0.455SS*.  0129.10-179.4175.7-85.500108.5V3 Y11 W12 I14M1-V3 HydrophobicContact CG-CG2 4.02Å; M1-V3 HydrophobicContact SD-CG2 4.3Å; M1-Y11 WeakPolarHBondContact O-CA 3.28Å; M1-W12 PolarHBondContact N-O 3.36Å; M1-W12 PolarHBondContact O-N 3.3Å; M1-W12 HydrophobicContact SD-CE3 3.95Å; M1-W12 HydrophobicContact SD-CZ3 4.26Å; M1-I14 HydrophobicContact CB-CD1 4.34Å; M1-I14 HydrophobicContact CB-CG1 4.45Å; M1-I14 HydrophobicContact CE-CD1 4.15Å
2R91.6Very high90.1Very high154 Ų15487.7 Ų87.758%0.58145%0.449SS*.EExtended strand (participates in β ladder)trans-91128.2172.7177.9-177.4169.4-151.7-4.7108T9 Y11R2-T9 HydrophobicContact CG-CG2 3.67Å; R2-T9 VanDerWaalsContact NE-CG2 3.32Å; R2-Y11 HydrophobicContact CB-CD1 3.95Å; R2-Y11 HydrophobicContact CB-CE1 3.84Å; R2-Y11 HydrophobicContact CG-CD1 4.14Å; R2-Y11 HydrophobicContact CG-CE1 3.67Å
3V91.8Very high90.1Very high38 Ų3888 Ų8823%0.2345%0.447CS..EExtended strand (participates in β ladder)trans-123.3138.8179.3-171.80000108.5M1 T9 Y10M1-V3 HydrophobicContact CG-CG2 4.02Å; M1-V3 HydrophobicContact SD-CG2 4.3Å; V3-T9 WeakPolarHBondContact O-CA 3.32Å; V3-Y10 HydrophobicContact CB-CD1 4.31Å; V3-Y10 HydrophobicContact CB-CD2 4.16Å; V3-Y10 HydrophobicContact CB-CE1 3.85Å; V3-Y10 HydrophobicContact CB-CE2 3.68Å; V3-Y10 HydrophobicContact CB-CG 4.46Å; V3-Y10 HydrophobicContact CG1-CE1 3.74Å; V3-Y10 HydrophobicContact CG1-CE2 4.13Å; V3-Y10 VanDerWaalsContact CG1-CZ 3.47Å; V3-Y10 VanDerWaalsContact CG1-OH 3.32Å; V3-Y10 WeakPolarHBondContact CG1-OH 3.08Å; V3-Y10 HydrophobicContact CG2-CE2 3.97Å; V3-Y10 PolarHBondContact N-O 3.16Å; V3-Y10 PolarHBondContact O-N 2.86Å; V3-Y10 VanDerWaalsContact O-O 3.05Å
4Q94.1Very high89.7Confident137 Ų13788.9 Ų88.964%0.6445%0.452SS*.EExtended strand (participates in β ladder)trans-129.5126.1-179.5-171167.415.800109.3G8Q4-G8 WeakPolarHBondContact CA-O 3.32Å
5D88.6Confident89.2Confident71 Ų7190.3 Ų90.338%0.3847%0.47SS..EExtended strand (participates in β ladder)trans-131.1-171.3179.966.417.1000111.3S7 G8 Y10D5-S7 PolarHBondContact O-N 2.99Å; D5-S7 VanDerWaalsContact OD1-CA 3.31Å; D5-S7 WeakPolarHBondContact OD1-CA 3.45Å; D5-S7 WeakPolarHBondContact OD1-CB 3.41Å; D5-S7 PolarHBondContact OD1-N 3.13Å; D5-G8 PolarHBondContact N-O 2.84Å; D5-G8 PolarHBondContact O-N 3.37Å; D5-G8 PolarHBondContact OD1-N 3.25Å; D5-Y10 WeakPolarHBondContact OD2-CE1 3.43Å
6T87.8Confident88.7Confident151 Ų15189.4 Ų89.493%0.92647%0.469SS*.THydrogen-bonded Turntrans-65.6-15.4178.250.70000113.8
7S82.3Confident88.7Confident95 Ų9586.1 Ų86.166%0.66446%0.462SS*.THydrogen-bonded Turntrans-100.9-15.9-176.8-560000112.6D5D5-S7 PolarHBondContact O-N 2.99Å; D5-S7 VanDerWaalsContact OD1-CA 3.31Å; D5-S7 WeakPolarHBondContact OD1-CA 3.45Å; D5-S7 WeakPolarHBondContact OD1-CB 3.41Å; D5-S7 PolarHBondContact OD1-N 3.13Å
8G88.3Confident88.5Confident28 Ų2885.4 Ų85.429%0.28946%0.462SS..EExtended strand (participates in β ladder)trans147-160.8173.300000113.6Q4 D5Q4-G8 WeakPolarHBondContact CA-O 3.32Å; D5-G8 PolarHBondContact N-O 2.84Å; D5-G8 PolarHBondContact O-N 3.37Å; D5-G8 PolarHBondContact OD1-N 3.25Å
9T93.4Very high88.7Confident36 Ų3686 Ų8622%0.22147%0.468CS..EExtended strand (participates in β ladder)trans-103.9130.4171.3-61.80000108.9R2 V3 Y11R2-T9 HydrophobicContact CG-CG2 3.67Å; R2-T9 VanDerWaalsContact NE-CG2 3.32Å; V3-T9 WeakPolarHBondContact O-CA 3.32Å; T9-Y11 HydrophobicContact CG2-CE2 3.99Å
10Y92.2Very high88.7Confident62 Ų6285.6 Ų85.624%0.24346%0.463CS..EExtended strand (participates in β ladder)trans-129.3161.3170.466.2-88.3000111.2V3 D5 T19 W21V3-Y10 HydrophobicContact CB-CD1 4.31Å; V3-Y10 HydrophobicContact CB-CD2 4.16Å; V3-Y10 HydrophobicContact CB-CE1 3.85Å; V3-Y10 HydrophobicContact CB-CE2 3.68Å; V3-Y10 HydrophobicContact CB-CG 4.46Å; V3-Y10 HydrophobicContact CG1-CE1 3.74Å; V3-Y10 HydrophobicContact CG1-CE2 4.13Å; V3-Y10 VanDerWaalsContact CG1-CZ 3.47Å; V3-Y10 VanDerWaalsContact CG1-OH 3.32Å; V3-Y10 WeakPolarHBondContact CG1-OH 3.08Å; V3-Y10 HydrophobicContact CG2-CE2 3.97Å; V3-Y10 PolarHBondContact N-O 3.16Å; V3-Y10 PolarHBondContact O-N 2.86Å; V3-Y10 VanDerWaalsContact O-O 3.05Å; D5-Y10 WeakPolarHBondContact OD2-CE1 3.43Å; Y10-T19 HydrophobicContact CD2-CG2 4.44Å; Y10-W21 HydrophobicContact CD1-CZ3 4.3Å
11Y92.9Very high88.8Confident50 Ų5089.5 Ų89.520%0.19647%0.471CS..EExtended strand (participates in β ladder)trans-118.9122.6-176.7-59.1-94.4000109.1M1 R2 T9 T19 Q20 E22 P23 P24M1-Y11 WeakPolarHBondContact O-CA 3.28Å; R2-Y11 HydrophobicContact CB-CD1 3.95Å; R2-Y11 HydrophobicContact CB-CE1 3.84Å; R2-Y11 HydrophobicContact CG-CD1 4.14Å; R2-Y11 HydrophobicContact CG-CE1 3.67Å; T9-Y11 HydrophobicContact CG2-CE2 3.99Å; Y11-T19 WeakPolarHBondContact O-CA 3.31Å; Y11-Q20 PolarHBondContact N-O 3Å; Y11-Q20 PolarHBondContact O-N 2.84Å; Y11-E22 VanDerWaalsContact CD2-O 3.29Å; Y11-E22 WeakPolarHBondContact CD2-O 3.23Å; Y11-P23 HydrophobicContact CE1-CB 4.31Å; Y11-P23 HydrophobicContact CE2-CB 3.85Å; Y11-P24 HydrophobicContact CD1-CG 4.1Å; Y11-P24 HydrophobicContact CG-CG 4.38Å
12W89.1Confident88.6Confident101 Ų10190.4 Ų90.438%0.38347%0.474SS..EExtended strand (participates in β ladder)trans-106.8125.2179.6-178.339.6000110.5M1 I14 T19M1-W12 PolarHBondContact N-O 3.36Å; M1-W12 PolarHBondContact O-N 3.3Å; M1-W12 HydrophobicContact SD-CE3 3.95Å; M1-W12 HydrophobicContact SD-CZ3 4.26Å; W12-I14 HydrophobicContact CD2-CG1 4.43Å; W12-I14 HydrophobicContact CE3-CG1 4.19Å; W12-I14 HydrophobicContact CZ3-CG1 4.29Å; W12-T19 HydrophobicContact CB-CG2 4.41Å; W12-T19 HydrophobicContact CG-CG2 4.35Å
13H90.3Very high88.2Confident92 Ų9287.1 Ų87.143%0.42647%0.472SS..EExtended strand (participates in β ladder)trans-94.3104.5174.1-169.3-108.4000109.6T16 G17 T18H13-T16 WeakPolarHBondContact CB-OG1 3.32Å; H13-T16 WeakPolarHBondContact ND1-CB 3.44Å; H13-T16 VanDerWaalsContact ND1-CG2 3.3Å; H13-T16 WeakPolarHBondContact ND1-CG2 3.29Å; H13-T16 PolarHBondContact ND1-N 3.41Å; H13-T16 PolarHBondContact ND1-OG1 2.93Å; H13-T16 PolarHBondContact O-N 2.89Å; H13-G17 WeakPolarHBondContact O-CA 3.44Å; H13-G17 PolarHBondContact O-N 2.95Å; H13-T18 PolarHBondContact N-O 2.96Å
14I85.1Confident87.4Confident100 Ų10089.1 Ų89.151%0.51349%0.486SS..THydrogen-bonded Turntrans-58.5-44.8-172.8-56.9170000112.2M1 W12 T16M1-I14 HydrophobicContact CB-CD1 4.34Å; M1-I14 HydrophobicContact CB-CG1 4.45Å; M1-I14 HydrophobicContact CE-CD1 4.15Å; W12-I14 HydrophobicContact CD2-CG1 4.43Å; W12-I14 HydrophobicContact CE3-CG1 4.19Å; W12-I14 HydrophobicContact CZ3-CG1 4.29Å; I14-T16 PolarHBondContact O-N 2.81Å
15P81.2Confident86.4Confident111 Ų11186 Ų8672%0.72149%0.491SS*.THydrogen-bonded Turntrans-66.5-36-178-22.834.4000114.7
16T82.1Confident84.7Confident75 Ų7594 Ų9446%0.4652%0.516SS..THydrogen-bonded Turntrans-98.1-16.1-17760.20000112.9H13 I14 T18H13-T16 WeakPolarHBondContact CB-OG1 3.32Å; H13-T16 WeakPolarHBondContact ND1-CB 3.44Å; H13-T16 VanDerWaalsContact ND1-CG2 3.3Å; H13-T16 WeakPolarHBondContact ND1-CG2 3.29Å; H13-T16 PolarHBondContact ND1-N 3.41Å; H13-T16 PolarHBondContact ND1-OG1 2.93Å; H13-T16 PolarHBondContact O-N 2.89Å; I14-T16 PolarHBondContact O-N 2.81Å; T16-T18 PolarHBondContact O-N 3.24Å; T16-T18 PolarHBondContact OG1-N 3.24Å; T16-T18 PolarHBondContact OG1-OG1 3.28Å
17G88.7Confident82.7Confident33 Ų3391.6 Ų91.634%0.3451%0.512SS..THydrogen-bonded Turntrans71.111.8-173.700000114.4H13H13-G17 WeakPolarHBondContact O-CA 3.44Å; H13-G17 PolarHBondContact O-N 2.95Å
18T85.3Confident80.6Confident75 Ų7591.8 Ų91.846%0.4651%0.513SS..EExtended strand (participates in β ladder)trans-83.3140.6-178.352.40000111.7H13 T16H13-T18 PolarHBondContact N-O 2.96Å; T16-T18 PolarHBondContact O-N 3.24Å; T16-T18 PolarHBondContact OG1-N 3.24Å; T16-T18 PolarHBondContact OG1-OG1 3.28Å
19T91.5Very high78.7Confident96 Ų9696.6 Ų96.659%0.58954%0.539SS*.EExtended strand (participates in β ladder)trans-115134.7175.251.30000110.5Y10 Y11 W12Y10-T19 HydrophobicContact CD2-CG2 4.44Å; Y11-T19 WeakPolarHBondContact O-CA 3.31Å; W12-T19 HydrophobicContact CB-CG2 4.41Å; W12-T19 HydrophobicContact CG-CG2 4.35Å
20Q89.8Confident76.4Confident78 Ų7899.6 Ų99.636%0.36456%0.562SS.*EExtended strand (participates in β ladder)trans-135.4148.4177.562.1-177.465.800110.7Y11 E22Y11-Q20 PolarHBondContact N-O 3Å; Y11-Q20 PolarHBondContact O-N 2.84Å; Q20-E22 WeakPolarHBondContact CG-O 3.46Å; Q20-E22 PolarHBondContact NE2-O 2.84Å
21W89.5Confident73.9Confident167 Ų167106 Ų10663%0.63359%0.594SS**SBendtrans-85.7-28.1178.6-64.5101.8000112.3Y10Y10-W21 HydrophobicContact CD1-CZ3 4.3Å
22E85.9Confident71.5Confident149 Ų149107.3 Ų107.370%0.69662%0.622SS**SBendtrans-79.3139.6177.7-70.6143.4-172.200110.8Y11 Q20Y11-E22 VanDerWaalsContact CD2-O 3.29Å; Y11-E22 WeakPolarHBondContact CD2-O 3.23Å; Q20-E22 WeakPolarHBondContact CG-O 3.46Å; Q20-E22 PolarHBondContact NE2-O 2.84Å
23P81.4Confident69Low84 Ų84108 Ų10855%0.54564%0.642SS.*PPolyproline II helixtrans-57.8130.6172.521.4-28.9000110Y11 G25Y11-P23 HydrophobicContact CE1-CB 4.31Å; Y11-P23 HydrophobicContact CE2-CB 3.85Å; P23-G25 PolarHBondContact O-N 2.84Å
24P76.1Confident66.7Low80 Ų80109.7 Ų109.752%0.51967%0.665SS.*PPolyproline II helixtrans-55.2121.2170.921.5-29.5000107.2Y11 R26Y11-P24 HydrophobicContact CD1-CG 4.1Å; Y11-P24 HydrophobicContact CG-CG 4.38Å; P24-R26 PolarHBondContact O-N 3.05Å
25G73.4Confident64.6Low72 Ų72110.6 Ų110.674%0.74268%0.677SS**PPolyproline II helixtrans-50.6126.7-165.500000111.3P23 A27P23-G25 PolarHBondContact O-N 2.84Å; G25-A27 PolarHBondContact O-N 3.21Å; G25-A27 VanDerWaalsContact O-N 3.1Å
26R52.5Low62.4Low238 Ų238114.5 Ų114.590%0.89869%0.686SS**PPolyproline II helixtrans-58.1117162.1-100.8-177.5175.9-164.7-1.7106.3P24 S28P24-R26 PolarHBondContact O-N 3.05Å; R26-S28 VanDerWaalsContact C-N 3.35Å; R26-S28 PolarHBondContact O-N 2.66Å
27A46.1Very low60.2Low102 Ų102120.2 Ų120.284%0.84371%0.707SS**  trans-57104.7161.800000107.4G25G25-A27 PolarHBondContact O-N 3.21Å; G25-A27 VanDerWaalsContact O-N 3.1Å
28S36.8Very low57.6Low98 Ų98127.2 Ų127.269%0.68573%0.731SS**  trans-74.8132.4169.8-70.30000108.2R26 S30R26-S28 VanDerWaalsContact C-N 3.35Å; R26-S28 PolarHBondContact O-N 2.66Å; S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 2.84Å
29P48.7Very low55.2Low130 Ų130127.8 Ų127.884%0.84474%0.738SS**SBendtrans-84.776.9-179.734.7-31.7000109.3
30S45.1Very low52.4Low99 Ų99131.6 Ų131.669%0.69275%0.749SS**  trans-179.1102.1160.145.20000111.7S28S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 2.84Å
31Q39.7Very low50Low196 Ų196135.2 Ų135.292%0.91677%0.77SS**  159.6125.5116.9-79.2-155.2-2200108.5
32G43.4Very low47.3Very low77 Ų77132.3 Ų132.379%0.79477%0.771SS**  trans-66.1138.8-167.200000113.7
33S36.9Very low45.1Very low115 Ų115137.2 Ų137.280%0.80478%0.783SS**  trans-161.1110.4144.8-73.50000105.2P35S33-P35 WeakPolarHBondContact O-CD 3.23Å
34S41.5Very low43.4Very low129 Ų129139.3 Ų139.390%0.90280%0.795SS**  trans-59.3136-177.1-43.10000111.8
35P40.3Very low41.5Very low119 Ų119138.5 Ų138.577%0.77380%0.801SS**  trans-111.6146.5144.15.916000109.5S33S33-P35 WeakPolarHBondContact O-CD 3.23Å
36Q36.5Very low39.4Very low192 Ų192145.7 Ų145.790%0.89781%0.812SS**  trans-42138.2179.6-81.8162.7-97.700113.9E38Q36-E38 PolarHBondContact O-N 2.81Å
37E35.2Very low38.4Very low195 Ų195138.4 Ų138.491%0.91180%0.803SS**  trans-55.698.4162.4-168.7173.5124.600108.9S39E37-S39 PolarHBondContact O-N 2.73Å
38E34.5Very low37.7Very low181 Ų181141.5 Ų141.585%0.84680%0.799SS**  trans-73.4114.3164.3-168.21799400106.9Q36 Q40Q36-E38 PolarHBondContact O-N 2.81Å; E38-Q40 PolarHBondContact O-N 2.79Å
39S35.1Very low37.3Very low87 Ų87144 Ų14461%0.60880%0.8SS**  trans-29.6117.7176.4350000114.4E37 L41E37-S39 PolarHBondContact O-N 2.73Å; S39-L41 PolarHBondContact O-N 2.9Å
40Q32.5Very low36.4Very low176 Ų176146 Ų14682%0.82280%0.799SS**  trans-57.5109.1158.2-65.4-16018.900108.8E38 T42E38-Q40 PolarHBondContact O-N 2.79Å; Q40-T42 VanDerWaalsContact C-N 3.27Å; Q40-T42 PolarHBondContact O-N 3.28Å
41L39Very low35.7Very low153 Ų153145.3 Ų145.380%0.80181%0.806SS**  trans-72.390.6164-66.8171.8000107.7S39 W43S39-L41 PolarHBondContact O-N 2.9Å; L41-W43 PolarHBondContact O-N 2.93Å
42T32Very low35.1Very low106 Ų106144.9 Ų144.965%0.6580%0.802SS**  trans-59.3110.5163.842.50000109Q40 T44Q40-T42 VanDerWaalsContact C-N 3.27Å; Q40-T42 PolarHBondContact O-N 3.28Å; T42-T44 PolarHBondContact O-N 2.84Å
43W40.5Very low34.6Very low252 Ų252150.2 Ų150.296%0.95581%0.806SS**SBendtrans-70.464168.6-89.289.4000111L41L41-W43 PolarHBondContact O-N 2.93Å
44T44.7Very low34.3Very low129 Ų129152.5 Ų152.579%0.79180%0.804SS**  trans-159.888.6166.847.30000108.2T42T42-T44 PolarHBondContact O-N 2.84Å
45G36.6Very low33.9Very low62 Ų62149.8 Ų149.864%0.63980%0.796SS**  trans-177.844.6-176.400000115.8
46F29.8Very low33.7Very low223 Ų223152.1 Ų152.198%0.97880%0.797SS**  trans-139.785.9157.6-74.5-75.7000108.8
47A32.4Very low33.8Very low85 Ų85150.7 Ų150.770%0.70279%0.788SS**  trans-132.8129.4161.600000108
48H30.8Very low34Very low167 Ų167151.6 Ų151.677%0.77378%0.784SS**  trans96.2105-178-61.585.8000114.7
49Q27.7Very low33.8Very low151 Ų151151.7 Ų151.771%0.70678%0.781SS**  69.7121.287.7-119.6-173.2-58.300109.1
50E31.2Very low33.7Very low173 Ų173153.9 Ų153.981%0.80879%0.786SS**  cis-165.3161.438.5-78.5174.615000109.9
51G29.1Very low33.6Very low83 Ų83154.4 Ų154.486%0.85679%0.788SS**  trans120.870.6156.100000116.1
52F27.5Very low33.7Very low187 Ų187151.8 Ų151.882%0.8278%0.781SS**  trans-106.2128.2161.5105.7-85.7000108.6
53E31.8Very low33.6Very low190 Ų190152.6 Ų152.689%0.88879%0.79SS**  trans-148.1131.5168.2-75.6-174.3129.900103.3
54E31.8Very low33.2Very low162 Ų162148.2 Ų148.276%0.75778%0.781SS**  cis-142.5140.22.6-81.2169.5123.300106.1
55G32.6Very low32.4Very low72 Ų72150.3 Ų150.374%0.74278%0.781SS**  trans-131.587.1168.300000108.5
56E36.5Very low32.1Very low169 Ų169151.6 Ų151.679%0.7979%0.786SS**  trans-12386.5-178.6-61.9-165.2130.800110.8
57F38.7Very low32.8Very low162 Ų162146.7 Ų146.771%0.71178%0.776SS**SBendtrans-170.983.9167.8-154.6-122000108
58W39.1Very low32.6Very low214 Ų214152.1 Ų152.181%0.81179%0.79SS**  cis-158.4153.543.4-66.593.7000109.4
59K29.9Very low32.9Very low183 Ų183152.8 Ų152.880%0.79679%0.793SS**  trans-101.2132.1-174.1-168.6-179.8175.9-175.90111.8
60D32.7Very low32.9Very low132 Ų132154 Ų15471%0.70680%0.803SS**  trans39.2140.5146.5-53.1-48.4000120.8
61E32.2Very low32.7Very low188 Ų188149.4 Ų149.488%0.87980%0.803SS**  -161.6169.364.2-113.3-160.660.900114.9
62P40.7Very low33.1Very low98 Ų98153.4 Ų153.464%0.63680%0.804SS**  trans-109.2176.7-159.943-35.9000115.8
63S29.3Very low33.2Very low122 Ų122154.5 Ų154.585%0.85381%0.808SS**  trans-152.599.7154.1-76.80000111.6
64E31.9Very low33.1Very low161 Ų161152.7 Ų152.775%0.75280%0.804SS**  trans12.5119.4135-76.8-151.2136.300120
65E27.2Very low33.8Very low172 Ų172149.9 Ų149.980%0.80480%0.801SS**  88.4139.5102.8-59.3-129.5136.900111.8
66A30.7Very low33.7Very low89 Ų89154.7 Ų154.774%0.73680%0.804SS**  cis-169.9176.2-9.800000105.6
67P45.9Very low33.3Very low120 Ų120154.8 Ų154.878%0.77980%0.804SS**  trans-101.8151.4-161.937.8-31000114.3
68M27.2Very low33Very low199 Ų199152 Ų15298%0.9881%0.811SS**  trans-148.9124.3159.3-77.3-167.3-102.300113
69E36.6Very low32.8Very low181 Ų181147.4 Ų147.485%0.84681%0.807SS**  trans-78.8155159.3-71-135.512000111.4
70L28.4Very low32.9Very low176 Ų176147.3 Ų147.392%0.92181%0.814SS**  trans152.6129.9132.7-82170.7000110.5
71G26.9Very low32.8Very low77 Ų77145.2 Ų145.279%0.79481%0.81SS**  trans170.371.716800000116.2
72L36.9Very low32.7Very low168 Ų168145.4 Ų145.488%0.8881%0.808SS**  trans-54.6141.1166.9-65.9163.5000112.8
73K30.2Very low32.6Very low209 Ų209145.8 Ų145.891%0.90981%0.81SS**  trans-173.4109.6139.3-102.1152.676-177.80112.6
74D29.3Very low33Very low152 Ų152144.8 Ų144.881%0.81381%0.81SS**  trans-89.8177.7148.9-122.1-88.6000107.7
75P46.1Very low33.1Very low104 Ų104145.1 Ų145.168%0.67581%0.811SS**  cis-141.1-1701.535-11.2000115.6
76E31.2Very low33.8Very low173 Ų173142 Ų14281%0.80881%0.809SS**  trans133.395.5148-70.2-167.1129.600112.2
77E29.1Very low33.9Very low171 Ų171145.1 Ų145.180%0.79981%0.812SS**  86.1100.788.9-160.3-177.6142.200113.2
78A32Very low33.7Very low104 Ų104144.3 Ų144.386%0.8681%0.809SS**  trans-154.191.9155.600000110
79T33.4Very low34.1Very low116 Ų116140.7 Ų140.771%0.71280%0.8SS**  trans-61.1122.2168.5-54.30000111
80L33.9Very low34.1Very low182 Ų182140.5 Ų140.595%0.95380%0.799SS**  trans-145.9126150-75.5-177.1000110.4
81S29.9Very low34.6Very low88 Ų88137.8 Ų137.862%0.61579%0.792SS**  trans-102139.2-169.484.70000113.8
82F30.6Very low35.1Very low192 Ų192140 Ų14084%0.84279%0.791SS**  trans61.8157.7151.4-59.1-62.4000119.5
83P37.9Very low35.3Very low106 Ų106137.1 Ų137.169%0.68878%0.782SS**  cis-127.8157.410.837.1-19.3000116.6
84A37Very low35.8Very low101 Ų101134.1 Ų134.184%0.83577%0.771SS**  trans-67.5125.916500000110.4
85Q33.8Very low36.6Very low167 Ų167135.7 Ų135.778%0.7877%0.773SS**  trans-109.4107.5161.7-69.2-169.134.700108.5L87Q85-L87 PolarHBondContact O-N 3.34Å
86S41.9Very low36.6Very low108 Ų108138.1 Ų138.176%0.75578%0.776SS**  trans-56.8116.4162.4173.80000109.2
87L33Very low37.3Very low154 Ų154136.8 Ų136.881%0.80677%0.77SS**  trans-127.199.6161.6-72.7172.6000107.4Q85Q85-L87 PolarHBondContact O-N 3.34Å
88S43Very low37.7Very low102 Ų102138 Ų13871%0.71377%0.772SS**  trans-57.8134.6164.5-54.20000109.2E90S88-E90 PolarHBondContact O-N 3.07Å
89P35.7Very low38.1Very low124 Ų124140.9 Ų140.981%0.80577%0.772SS**  trans-76.1111.4161.327.8-26.5000108.2
90E36Very low38.7Very low176 Ų176140.5 Ų140.582%0.82277%0.774SS**  trans-58.8128.8166.9-161.2144.388.300108.7S88 V92S88-E90 PolarHBondContact O-N 3.07Å; E90-V92 PolarHBondContact O-N 3.47Å; E90-V92 VanDerWaalsContact O-N 3.16Å
91P39.1Very low39.3Very low119 Ų119139.1 Ų139.177%0.77376%0.763SS**  trans-69.8115.8-178.626-30.9000109.6
92V36.7Very low40.3Very low125 Ų125145.8 Ų145.876%0.75878%0.775SS**  trans-53132.6167.1-167.30000108.2E90 Q94E90-V92 PolarHBondContact O-N 3.47Å; E90-V92 VanDerWaalsContact O-N 3.16Å; V92-Q94 PolarHBondContact O-N 2.84Å
93P40.7Very low41.1Very low107 Ų107142.7 Ų142.770%0.69577%0.767SS**  trans-60.6114.5174.1-1628.3000108.3E95P93-E95 VanDerWaalsContact C-N 3.29Å; P93-E95 PolarHBondContact O-N 2.93Å
94Q41.4Very low41.8Very low146 Ų146142 Ų14268%0.68277%0.771SS**  trans-6689.6175.8-165.2175.9-2.900108.2V92 E96V92-Q94 PolarHBondContact O-N 2.84Å; Q94-E96 HydrophobicContact CG-CB 4.15Å; Q94-E96 PolarHBondContact O-N 2.84Å; Q94-E96 VanDerWaalsContact O-N 3.13Å
95E45.8Very low42.9Very low184 Ų184141.6 Ų141.686%0.8675%0.754SS**G310 helixtrans-74.817.3173.149.8-17785.600113.2P93 E97P93-E95 VanDerWaalsContact C-N 3.29Å; P93-E95 PolarHBondContact O-N 2.93Å; E95-E97 VanDerWaalsContact C-N 3.29Å; E95-E97 PolarHBondContact O-N 2.9Å
96E45.8Very low44.3Very low156 Ų156140.4 Ų140.473%0.72976%0.761SS**G310 helixtrans-82.89.9175.9-70.6-169.6106.800114.7Q94Q94-E96 HydrophobicContact CG-CB 4.15Å; Q94-E96 PolarHBondContact O-N 2.84Å; Q94-E96 VanDerWaalsContact O-N 3.13Å
97E46.7Very low46Very low145 Ų145138.3 Ų138.368%0.67876%0.756SS**G310 helixtrans-86.70.4-178.2-81.7-155.1102.900116.3E95E95-E97 VanDerWaalsContact C-N 3.29Å; E95-E97 PolarHBondContact O-N 2.9Å
98K38Very low48.6Very low195 Ų195133.1 Ų133.185%0.84873%0.729SS**SBendtrans-109.423.5-164.6-136.8165.5-174.9-80.40118.7
99L39.7Very low51Low165 Ų165134.8 Ų134.886%0.86472%0.723SS**SBendtrans-124.3-16.3164.2-81.8165.8000114.9
100S46.1Very low53.8Low109 Ų109132.1 Ų132.176%0.76271%0.707SS**THydrogen-bonded Turntrans-92.2-1.7-166.9-45.50000115.8
101Q47Very low56.7Low153 Ų153128.5 Ų128.572%0.71569%0.689SS**THydrogen-bonded Turntrans-126.526.8-176-66-176.13.400113.7N103Q101-N103 PolarHBondContact O-N 2.95Å
102R50.1Low59.4Low227 Ų227127.3 Ų127.386%0.85769%0.688SS**SBendtrans-89.793.7174.7-142.1174.8-176.6-172.9-1109.5
103N47.8Very low62.2Low128 Ų128122.6 Ų122.668%0.68466%0.66SS**  trans79.866.3179-49.4-54.6000115.2Q101 N105Q101-N103 PolarHBondContact O-N 2.95Å; N103-N105 PolarHBondContact O-N 2.79Å
104A52.5Low64.7Low92 Ų92123.9 Ų123.976%0.7665%0.651SS**  trans-70.473.9155.600000108.8P106A104-P106 VanDerWaalsContact O-CD 3.28Å; A104-P106 WeakPolarHBondContact O-CD 3.32Å
105N59.9Low67.2Low92 Ų92117 Ų11749%0.49262%0.619SS.*  trans-59.7119.5155.7-86.8-34.6000105.5N103 G107 I108N103-N105 PolarHBondContact O-N 2.79Å; N105-G107 PolarHBondContact O-N 3.22Å; N105-I108 HydrophobicContact CB-CD1 3.7Å; N105-I108 HydrophobicContact CB-CG1 3.82Å; N105-I108 PolarHBondContact O-N 2.82Å
106P63.8Low69.4Low141 Ų141109.7 Ų109.792%0.91659%0.586SS**THydrogen-bonded Turntrans-61.7-4.3-177.420.2-29.4000114A104A104-P106 VanDerWaalsContact O-CD 3.28Å; A104-P106 WeakPolarHBondContact O-CD 3.32Å
107G77.4Confident71.6Confident64 Ų64102.6 Ų102.666%0.6655%0.554SS**THydrogen-bonded Turntrans-93.5-10.717400000116.2N105N105-G107 PolarHBondContact O-N 3.22Å
108I87.7Confident73.9Confident45 Ų4598.8 Ų98.823%0.23153%0.534CS..  trans-98.8123.8-176-53.9174.2000110.1N105 Q166 E168N105-I108 HydrophobicContact CB-CD1 3.7Å; N105-I108 HydrophobicContact CB-CG1 3.82Å; N105-I108 PolarHBondContact O-N 2.82Å; I108-Q166 HydrophobicContact CG2-CB 4.4Å; I108-E168 HydrophobicContact CD1-CG 4.08Å; I108-E168 WeakPolarHBondContact CD1-OE1 3.49Å; I108-E168 HydrophobicContact CG1-CB 4.08Å; I108-E168 HydrophobicContact CG1-CG 3.83Å; I108-E168 HydrophobicContact CG2-CB 4.26Å
109K93.8Very high76.5Confident137 Ų13790.8 Ų90.860%0.59650%0.502SS*.EExtended strand (participates in β ladder)trans-98127.4169.3-64.2176.5-177.8171.10109F111 Q166 L167K109-F111 HydrophobicContact CB-CE2 3.71Å; K109-F111 HydrophobicContact CB-CZ 4Å; K109-Q166 CarbonylContact O-C 3.59Å; K109-Q166 WeakPolarHBondContact O-CA 3.24Å; K109-L167 HydrophobicContact CB-CB 4.38Å; K109-L167 PolarHBondContact N-O 2.84Å; K109-L167 PolarHBondContact O-N 2.86Å
110C94.4Very high79.1Confident68 Ų6888.2 Ų88.246%0.45949%0.485SS..EExtended strand (participates in β ladder)trans-123.3132.3-177.8-171.50000110.2L165 Q166C110-L165 CarbonylContact C-O 3.49Å; C110-L165 WeakPolarHBondContact CA-O 3.47Å; C110-Q166 HydrophobicContact CB-CG 4.19Å
111F96.1Very high81.5Confident101 Ų10183.4 Ų83.444%0.44345%0.451SS..EExtended strand (participates in β ladder)trans-129130.5-178.5-54.4-87000109.5K109 V113 L164 L165 L167K109-F111 HydrophobicContact CB-CE2 3.71Å; K109-F111 HydrophobicContact CB-CZ 4Å; F111-V113 HydrophobicContact CB-CG1 4.1Å; F111-L164 WeakPolarHBondContact O-CA 3.47Å; F111-L165 HydrophobicContact CB-CB 4.49Å; F111-L165 HydrophobicContact CD2-CD2 4.11Å; F111-L165 PolarHBondContact N-O 3.27Å; F111-L165 PolarHBondContact O-N 3.15Å; F111-L167 HydrophobicContact CE2-CD1 4.16Å
112A95.6Very high83.8Confident93 Ų9379.1 Ų79.177%0.76944%0.435SS*.EExtended strand (participates in β ladder)trans-77.1122.4168.400000108.7L164A112-L164 HydrophobicContact CB-CD2 4.4Å
113V95.4Very high86Confident27 Ų2773.3 Ų73.316%0.16442%0.417CS..EExtended strand (participates in β ladder)trans-136.1163.5-175-59.80000111.1F111 L163 L165 F223F111-V113 HydrophobicContact CB-CG1 4.1Å; V113-L163 HydrophobicContact CG2-CB 4.12Å; V113-L163 PolarHBondContact N-O 3.04Å; V113-L163 PolarHBondContact O-N 2.97Å; V113-L163 VanDerWaalsContact O-O 3.1Å; V113-L165 HydrophobicContact CG1-CB 4.03Å; V113-L165 HydrophobicContact CG1-CD1 4.5Å; V113-L165 HydrophobicContact CG2-CB 3.84Å; V113-F223 HydrophobicContact CB-CB 4.08Å; V113-F223 HydrophobicContact CB-CD1 4.46Å; V113-F223 HydrophobicContact CG2-CB 4.36Å; V113-F223 HydrophobicContact CG2-CD1 3.85Å; V113-F223 HydrophobicContact CG2-CG 4.39Å
114R93.9Very high88.3Confident133 Ų13372.8 Ų72.850%0.50241%0.411SS..EExtended strand (participates in β ladder)trans-123.9115.8174.7179.9172-60.5165.66.9109.7L116 K161 D162 F223R114-L116 PolarHBondContact O-N 2.81Å; R114-L116 VanDerWaalsContact O-N 3.16Å; R114-K161 CarbonylContact C-O 3.59Å; R114-K161 WeakPolarHBondContact CA-O 3.47Å; R114-D162 IonicContact CZ-OD1 3.77Å; R114-D162 VanDerWaalsContact CZ-OD1 3.28Å; R114-D162 IonicContact NE-OD1 2.9Å; R114-D162 PolarHBondContact NE-OD1 3.39Å; R114-D162 IonicContact NH2-OD1 2.66Å; R114-D162 PolarHBondContact NH2-OD1 2.78Å; R114-D162 IonicContact NH2-OD2 3.54Å; R114-F223 CarbonylContact O-C 3.59Å; R114-F223 WeakPolarHBondContact O-CA 3.23Å
115S93.9Very high90.3Very high2 Ų272.2 Ų72.21%0.01439%0.392CS..  trans-58.5122.6176.1-177.20000110.3W157 G158 E159 G160 K161S115-W157 VanDerWaalsContact CB-O 3.24Å; S115-W157 WeakPolarHBondContact CB-O 3.3Å; S115-W157 PolarHBondContact OG-O 2.93Å; S115-G158 WeakPolarHBondContact CB-O 3.4Å; S115-G158 PolarHBondContact OG-O 3.2Å; S115-E159 CarbonylContact O-C 3.53Å; S115-E159 WeakPolarHBondContact O-CA 3.49Å; S115-G160 PolarHBondContact O-N 3.1Å; S115-K161 PolarHBondContact N-O 3.01Å
116L92.2Very high92Very high30 Ų3068.2 Ų68.216%0.15737%0.371CS..  trans-95.82.4172-57.5-173.7000111.6R114 L142 S143 V222R114-L116 PolarHBondContact O-N 2.81Å; R114-L116 VanDerWaalsContact O-N 3.16Å; L116-L142 HydrophobicContact CB-CB 4.14Å; L116-S143 WeakPolarHBondContact CD1-OG 3.41Å; L116-V222 HydrophobicContact CB-CB 4.2Å; L116-V222 HydrophobicContact CB-CG1 4.19Å; L116-V222 HydrophobicContact CD1-CG1 3.94Å; L116-V222 HydrophobicContact CG-CG1 4.43Å; L116-V222 PolarHBondContact N-O 2.81Å
117G92.6Very high93.5Very high7 Ų763 Ų637%0.07234%0.34CS..EExtended strand (participates in β ladder)trans98.6-156-179.700000112.9V222G117-V222 PolarHBondContact O-N 2.68Å; G117-V222 VanDerWaalsContact O-N 3.08Å
118W93.3Very high94.2Very high65 Ų6566.3 Ų66.325%0.24635%0.35CS..EExtended strand (participates in β ladder)trans-146.8154.6-176.562.1-88.9000112.8E120 D151 K219 C220 H221W118-E120 HydrophobicContact CZ3-CB 4.34Å; W118-D151 VanDerWaalsContact CZ2-OD2 3.29Å; W118-D151 WeakPolarHBondContact CZ2-OD2 3.49Å; W118-D151 PolarHBondContact NE1-OD2 2.91Å; W118-K219 HydrophobicContact CD2-CD 4.02Å; W118-K219 HydrophobicContact CD2-CG 4.36Å; W118-K219 HydrophobicContact CE3-CB 4.26Å; W118-K219 HydrophobicContact CE3-CD 3.85Å; W118-K219 HydrophobicContact CE3-CG 3.76Å; W118-K219 HydrophobicContact CZ3-CD 4.18Å; W118-K219 HydrophobicContact CZ3-CG 4.12Å; W118-C220 CarbonylContact C-O 3.56Å; W118-C220 WeakPolarHBondContact CA-O 3.45Å; W118-C220 WeakPolarHBondContact CB-O 3.44Å; W118-H221 WeakPolarHBondContact CB-ND1 3.41Å
119V93.6Very high94.4Very high28 Ų2867.5 Ų67.517%0.1737%0.373CS..EExtended strand (participates in β ladder)trans-124.4138.2174-1760000109.1M121 L142 K219 C220V119-M121 HydrophobicContact CG1-SD 4.45Å; V119-L142 HydrophobicContact CG2-CD1 3.83Å; V119-L142 HydrophobicContact CG2-CD2 3.94Å; V119-L142 HydrophobicContact CG2-CG 3.82Å; V119-K219 WeakPolarHBondContact O-CA 3.41Å; V119-C220 PolarHBondContact N-O 3.24Å; V119-C220 PolarHBondContact O-N 3.06Å
120E94.9Very high94.5Very high110 Ų11068.6 Ų68.651%0.51437%0.374SS..EExtended strand (participates in β ladder)trans-69.5135.6171.3179.1177.8-169.700110.4W118 M217 L218W118-E120 HydrophobicContact CZ3-CB 4.34Å; E120-M217 HydrophobicContact CB-CE 4.2Å; E120-M217 HydrophobicContact CG-CE 3.74Å; E120-M217 WeakPolarHBondContact OE1-CE 3.35Å; E120-M217 WeakPolarHBondContact OE2-CE 3.35Å; E120-L218 WeakPolarHBondContact CA-O 3.44Å
121M95.3Very high94.6Very high9 Ų966.5 Ų66.54%0.04436%0.36CS..EExtended strand (participates in β ladder)trans-117.4153.2178.9-54.6-56-66.400110.6V119 E125 L126 A134 C138 V209 L218 C220V119-M121 HydrophobicContact CG1-SD 4.45Å; M121-E125 WeakPolarHBondContact CA-OE2 3.49Å; M121-E125 HydrophobicContact CE-CB 4.09Å; M121-E125 WeakPolarHBondContact CE-OE2 3.47Å; M121-L126 HydrophobicContact CB-CD1 4.44Å; M121-L126 HydrophobicContact CB-CG 4.44Å; M121-A134 HydrophobicContact CE-CB 3.64Å; M121-C138 PolarHBondContact SD-SG 2.72Å; M121-V209 HydrophobicContact CG-CG1 4.26Å; M121-L218 HydrophobicContact CB-CB 4.04Å; M121-L218 PolarHBondContact N-O 2.84Å; M121-L218 WeakPolarHBondContact O-CB 3.45Å; M121-C220 HydrophobicContact CG-CB 3.7Å; M121-C220 HydrophobicContact SD-CB 3.86Å
122T95.9Very high94.5Very high62 Ų6264.2 Ų64.238%0.3836%0.357SS..  trans-98.8165169.4840000112.3E124 E125 L126T122-E124 WeakPolarHBondContact CB-OE2 3.4Å; T122-E124 PolarHBondContact O-N 2.94Å; T122-E124 PolarHBondContact OG1-N 2.93Å; T122-E124 PolarHBondContact OG1-OE2 2.82Å; T122-E125 PolarHBondContact N-OE2 3.1Å; T122-E125 PolarHBondContact O-N 3.32Å; T122-L126 PolarHBondContact O-N 3.02Å
123E95.3Very high94.4Very high105 Ų10563.9 Ų63.949%0.49135%0.345SS..THydrogen-bonded Turntrans-62.4-36.5176.9-170.666.9-153.400111.3E125 L126 A127 R192E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 3.03Å; E123-L126 PolarHBondContact O-N 3.23Å; E123-A127 PolarHBondContact O-N 3.04Å; E123-R192 VanDerWaalsContact CD-NH1 3.28Å; E123-R192 VanDerWaalsContact CD-NH2 3.35Å; E123-R192 IonicContact OE1-CZ 3.77Å; E123-R192 VanDerWaalsContact OE1-CZ 3.3Å; E123-R192 IonicContact OE1-NH1 2.65Å; E123-R192 PolarHBondContact OE1-NH1 3.45Å; E123-R192 IonicContact OE1-NH2 3.45Å; E123-R192 PolarHBondContact OE1-NH2 2.95Å; E123-R192 IonicContact OE2-CZ 2.78Å; E123-R192 IonicContact OE2-NH1 2.7Å; E123-R192 PolarHBondContact OE2-NH1 3.32Å; E123-R192 IonicContact OE2-NH2 3.38Å
124E96Very high94.4Very high117 Ų11763.1 Ų63.155%0.54734%0.341SS..THydrogen-bonded Turntrans-67.8-32.5-177.3-59.272.3-15300112.6T122 L126 A127T122-E124 WeakPolarHBondContact CB-OE2 3.4Å; T122-E124 PolarHBondContact O-N 2.94Å; T122-E124 PolarHBondContact OG1-N 2.93Å; T122-E124 PolarHBondContact OG1-OE2 2.82Å; E124-L126 VanDerWaalsContact C-N 3.34Å; E124-A127 VanDerWaalsContact O-CB 3.29Å; E124-A127 WeakPolarHBondContact O-CB 3.39Å; E124-A127 PolarHBondContact O-N 3.03Å
125E95.1Very high94.5Very high80 Ų8057 Ų5737%0.37432%0.319SS..THydrogen-bonded Turntrans-72.9-30.7176.5-68.5175.8143.200111.8M121 T122 E123 A127 R130 S131 A134M121-E125 WeakPolarHBondContact CA-OE2 3.49Å; M121-E125 HydrophobicContact CE-CB 4.09Å; M121-E125 WeakPolarHBondContact CE-OE2 3.47Å; T122-E125 PolarHBondContact N-OE2 3.1Å; T122-E125 PolarHBondContact O-N 3.32Å; E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 3.03Å; E125-A127 VanDerWaalsContact C-N 3.26Å; E125-A127 PolarHBondContact O-N 2.8Å; E125-R130 CarbonylContact O-C 3.6Å; E125-R130 WeakPolarHBondContact O-CB 3.34Å; E125-S131 VanDerWaalsContact O-CA 3.29Å; E125-S131 WeakPolarHBondContact O-CA 3.33Å; E125-S131 PolarHBondContact O-N 2.89Å; E125-A134 HydrophobicContact CB-CB 4.12Å
126L95.2Very high94.5Very high9 Ų957.8 Ų57.85%0.04732%0.323CS..THydrogen-bonded Turntrans-86.54.8177.7-58.1179.8000113.1M121 T122 E123 E124 V193 V209 L218M121-L126 HydrophobicContact CB-CD1 4.44Å; M121-L126 HydrophobicContact CB-CG 4.44Å; T122-L126 PolarHBondContact O-N 3.02Å; E123-L126 PolarHBondContact O-N 3.23Å; E124-L126 VanDerWaalsContact C-N 3.34Å; L126-V193 HydrophobicContact CD2-CG2 4.18Å; L126-V209 HydrophobicContact CD1-CB 4.46Å; L126-V209 HydrophobicContact CD1-CG1 3.55Å; L126-V209 HydrophobicContact CD2-CB 4.3Å; L126-V209 HydrophobicContact CD2-CG1 4Å; L126-V209 HydrophobicContact CD2-CG2 4.02Å; L126-V209 HydrophobicContact CG-CG1 4.42Å; L126-L218 HydrophobicContact CD1-CB 4.28Å; L126-L218 HydrophobicContact CD1-CD1 3.8Å; L126-L218 HydrophobicContact CD1-CD2 4.01Å; L126-L218 HydrophobicContact CD1-CG 4.24Å
127A95.3Very high94.6Very high32 Ų3260 Ų6026%0.26434%0.335SS..SBendtrans-60.9150.8174.900000111.7E123 E124 E125 G129 R130 S131E123-A127 PolarHBondContact O-N 3.04Å; E124-A127 VanDerWaalsContact O-CB 3.29Å; E124-A127 WeakPolarHBondContact O-CB 3.39Å; E124-A127 PolarHBondContact O-N 3.03Å; E125-A127 VanDerWaalsContact C-N 3.26Å; E125-A127 PolarHBondContact O-N 2.8Å; A127-G129 PolarHBondContact O-N 2.89Å; A127-R130 PolarHBondContact O-N 2.78Å; A127-S131 PolarHBondContact O-N 2.76Å; A127-S131 VanDerWaalsContact O-N 3.16Å
128P93.1Very high94.7Very high132 Ų13259.9 Ų59.986%0.85733%0.333SS*.THydrogen-bonded Turntrans-52.9131.8175.1-25.734.5000111.8R130P128-R130 VanDerWaalsContact C-N 3.3Å; P128-R130 PolarHBondContact O-N 3.17Å
129G92.1Very high94.7Very high71 Ų7156.8 Ų56.873%0.73232%0.321SS*.THydrogen-bonded Turntrans84.9-10.6-177.300000115.3A127A127-G129 PolarHBondContact O-N 2.89Å
130R95.3Very high94.6Very high159 Ų15960.2 Ų60.260%0.633%0.331SS*.THydrogen-bonded Turntrans-110.7-32.2175.6-65.4-175.6175.5178.5-2.1113.3E125 A127 P128 S132 V133 A134E125-R130 CarbonylContact O-C 3.6Å; E125-R130 WeakPolarHBondContact O-CB 3.34Å; A127-R130 PolarHBondContact O-N 2.78Å; P128-R130 VanDerWaalsContact C-N 3.3Å; P128-R130 PolarHBondContact O-N 3.17Å; R130-S132 VanDerWaalsContact C-N 3.31Å; R130-S132 PolarHBondContact O-N 3.16Å; R130-V133 PolarHBondContact O-N 2.87Å; R130-V133 VanDerWaalsContact O-N 3.08Å; R130-A134 PolarHBondContact O-N 2.7Å
131S96.1Very high94.4Very high24 Ų2460.1 Ų60.117%0.16833%0.331CS..Hα-helixtrans-55.8-38.6-173.760.50000114.6E125 A127 A134 V135E125-S131 VanDerWaalsContact O-CA 3.29Å; E125-S131 WeakPolarHBondContact O-CA 3.33Å; E125-S131 PolarHBondContact O-N 2.89Å; A127-S131 PolarHBondContact O-N 2.76Å; A127-S131 VanDerWaalsContact O-N 3.16Å; S131-A134 PolarHBondContact O-N 3.2Å; S131-V135 WeakPolarHBondContact O-CB 3.35Å; S131-V135 VanDerWaalsContact O-CG2 3.29Å; S131-V135 WeakPolarHBondContact O-CG2 3.33Å; S131-V135 PolarHBondContact O-N 2.96Å
132S93.7Very high94.2Very high54 Ų5460.8 Ų60.838%0.37833%0.334SS..Hα-helixtrans-65.5-40178.757.90000112.7R130 N136R130-S132 VanDerWaalsContact C-N 3.31Å; R130-S132 PolarHBondContact O-N 3.16Å; S132-N136 WeakPolarHBondContact O-CB 3.43Å; S132-N136 PolarHBondContact O-N 2.85Å; S132-N136 VanDerWaalsContact O-N 3.1Å
133V94.3Very high93.7Very high85 Ų8559.9 Ų59.952%0.51533%0.33SS..Hα-helixtrans-68.7-44.2176.4178.80000109.8R130 N136 N137R130-V133 PolarHBondContact O-N 2.87Å; R130-V133 VanDerWaalsContact O-N 3.08Å; V133-N136 PolarHBondContact O-N 2.82Å; V133-N137 WeakPolarHBondContact O-CB 3.41Å; V133-N137 VanDerWaalsContact O-CG 3.23Å; V133-N137 PolarHBondContact O-N 2.83Å; V133-N137 PolarHBondContact O-ND2 3.06Å
134A95.8Very high92.7Very high12 Ų1263.4 Ų63.410%0.09934%0.34CS..Hα-helixtrans-59-50.4178.100000111.5M121 E125 R130 S131 N136 N137 C138M121-A134 HydrophobicContact CE-CB 3.64Å; E125-A134 HydrophobicContact CB-CB 4.12Å; R130-A134 PolarHBondContact O-N 2.7Å; S131-A134 PolarHBondContact O-N 3.2Å; A134-N136 PolarHBondContact O-N 2.85Å; A134-N137 WeakPolarHBondContact O-CB 3.29Å; A134-N137 PolarHBondContact O-N 2.84Å; A134-C138 PolarHBondContact O-N 3.42Å; A134-C138 PolarHBondContact O-SG 2.95Å
135V95.8Very high91.4Very high4 Ų463.1 Ų63.12%0.02434%0.339CS..Hα-helixtrans-61.7-44.4177.9171.80000112.1S131 N137 C138 I139 V193 A207 V209S131-V135 WeakPolarHBondContact O-CB 3.35Å; S131-V135 VanDerWaalsContact O-CG2 3.29Å; S131-V135 WeakPolarHBondContact O-CG2 3.33Å; S131-V135 PolarHBondContact O-N 2.96Å; V135-N137 VanDerWaalsContact C-N 3.26Å; V135-N137 PolarHBondContact O-N 3.39Å; V135-C138 WeakPolarHBondContact O-CB 3.44Å; V135-C138 PolarHBondContact O-N 2.78Å; V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 2.78Å; V135-V193 HydrophobicContact CG2-CG1 3.84Å; V135-A207 HydrophobicContact CG1-CB 3.72Å; V135-V209 HydrophobicContact CG2-CG2 3.92Å
136N94.4Very high89.8Confident18 Ų1867.1 Ų67.110%0.09636%0.355CS..Hα-helixtrans-64.7-33.8177.8-167.176000111.8S132 V133 A134 I139 R140 R198 D199S132-N136 WeakPolarHBondContact O-CB 3.43Å; S132-N136 PolarHBondContact O-N 2.85Å; S132-N136 VanDerWaalsContact O-N 3.1Å; V133-N136 PolarHBondContact O-N 2.82Å; A134-N136 PolarHBondContact O-N 2.85Å; N136-I139 PolarHBondContact O-N 2.88Å; N136-R140 PolarHBondContact ND2-NE 3.24Å; N136-R140 WeakPolarHBondContact O-CG 3.27Å; N136-R140 PolarHBondContact O-N 3.03Å; N136-R198 PolarHBondContact OD1-N 3.08Å; N136-D199 PolarHBondContact ND2-OD2 3.47Å
137N94.1Very high87.9Confident77 Ų7770.6 Ų70.641%0.41237%0.374SS..Hα-helixtrans-66.2-40173.4-74-15.9000112V133 A134 V135 I139 R140 Q141V133-N137 WeakPolarHBondContact O-CB 3.41Å; V133-N137 VanDerWaalsContact O-CG 3.23Å; V133-N137 PolarHBondContact O-N 2.83Å; V133-N137 PolarHBondContact O-ND2 3.06Å; A134-N137 WeakPolarHBondContact O-CB 3.29Å; A134-N137 PolarHBondContact O-N 2.84Å; V135-N137 VanDerWaalsContact C-N 3.26Å; V135-N137 PolarHBondContact O-N 3.39Å; N137-I139 VanDerWaalsContact C-N 3.34Å; N137-I139 PolarHBondContact O-N 3.45Å; N137-R140 WeakPolarHBondContact O-CB 3.46Å; N137-R140 PolarHBondContact O-N 3.36Å; N137-Q141 WeakPolarHBondContact O-CB 3.32Å; N137-Q141 PolarHBondContact O-N 2.97Å
138C94.2Very high85.8Confident4 Ų476.3 Ų76.33%0.02740%0.4CS..Hα-helixtrans-60.5-44.5173.9-59.90000111.8M121 A134 V135 Q141 L142 C220 V222M121-C138 PolarHBondContact SD-SG 2.72Å; A134-C138 PolarHBondContact O-N 3.42Å; A134-C138 PolarHBondContact O-SG 2.95Å; V135-C138 WeakPolarHBondContact O-CB 3.44Å; V135-C138 PolarHBondContact O-N 2.78Å; C138-Q141 PolarHBondContact O-N 3.26Å; C138-L142 PolarHBondContact O-N 2.81Å; C138-C220 HydrophobicContact CB-CB 4.17Å; C138-C220 VanDerWaalsContact CB-SG 3.55Å; C138-V222 HydrophobicContact CB-CG2 4.34Å
139I93.6Very high83.9Confident0 Ų076.8 Ų76.80%039%0.394CS..Hα-helixtrans-58.2-51.1174.6-67.9169000109.8V135 N136 N137 Q141 L142 S143 R202 D205 A207 V222V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 WeakPolarHBondContact O-CG1 3.42Å; V135-I139 PolarHBondContact O-N 2.78Å; N136-I139 PolarHBondContact O-N 2.88Å; N137-I139 VanDerWaalsContact C-N 3.34Å; N137-I139 PolarHBondContact O-N 3.45Å; I139-Q141 VanDerWaalsContact C-N 3.34Å; I139-Q141 PolarHBondContact O-N 3.42Å; I139-L142 PolarHBondContact O-N 3Å; I139-S143 PolarHBondContact O-N 2.91Å; I139-S143 PolarHBondContact O-OG 2.84Å; I139-R202 PolarHBondContact O-NH1 3.48Å; I139-D205 HydrophobicContact CG2-CB 3.5Å; I139-D205 VanDerWaalsContact CG2-CB 3.5Å; I139-D205 VanDerWaalsContact CG2-OD2 3.29Å; I139-D205 WeakPolarHBondContact CG2-OD2 3.39Å; I139-A207 HydrophobicContact CD1-CB 3.88Å; I139-A207 HydrophobicContact CG1-CB 3.8Å; I139-V222 HydrophobicContact CB-CG1 4.48Å; I139-V222 HydrophobicContact CG1-CG1 3.95Å; I139-V222 HydrophobicContact CG1-CG2 4.28Å
140R91.6Very high82Confident101 Ų10180.9 Ų80.938%0.38139%0.394SS..Hα-helixtrans-52.9-51.5176.1-76176.9176.8-177.81.2112.3N136 N137 Y144 D199N136-R140 PolarHBondContact ND2-NE 3.24Å; N136-R140 WeakPolarHBondContact O-CG 3.27Å; N136-R140 PolarHBondContact O-N 3.03Å; N137-R140 WeakPolarHBondContact O-CB 3.46Å; N137-R140 PolarHBondContact O-N 3.36Å; R140-Y144 WeakPolarHBondContact O-CD2 3.33Å; R140-Y144 PolarHBondContact O-N 2.62Å; R140-D199 WeakPolarHBondContact CG-OD2 3.32Å; R140-D199 IonicContact CZ-OD1 2.63Å; R140-D199 IonicContact CZ-OD2 3.3Å; R140-D199 IonicContact NE-OD1 3.34Å; R140-D199 IonicContact NE-OD2 3.51Å; R140-D199 PolarHBondContact NE-OD2 2.93Å; R140-D199 IonicContact NH2-OD1 2.64Å; R140-D199 PolarHBondContact NH2-OD1 3.16Å; R140-D199 IonicContact NH2-OD2 3.41Å; R140-D199 PolarHBondContact NH2-OD2 2.82Å
141Q91.2Very high80.4Confident108 Ų10875.5 Ų75.551%0.50538%0.377SS..Hα-helixtrans-59.5-51.4-177.2-174.1176.111.800111N137 C138 I139 H145N137-Q141 WeakPolarHBondContact O-CB 3.32Å; N137-Q141 PolarHBondContact O-N 2.97Å; C138-Q141 PolarHBondContact O-N 3.26Å; I139-Q141 VanDerWaalsContact C-N 3.34Å; I139-Q141 PolarHBondContact O-N 3.42Å; Q141-H145 WeakPolarHBondContact O-CB 3.41Å; Q141-H145 PolarHBondContact O-N 3.37Å; Q141-H145 VanDerWaalsContact O-N 3.07Å
142L89.6Confident78.6Confident23 Ų2380.2 Ų80.212%0.1241%0.407CS..Hα-helixtrans-76.7-33.9-173.6-67.9179.5000113.8L116 V119 C138 I139 Y144 V222L116-L142 HydrophobicContact CB-CB 4.14Å; V119-L142 HydrophobicContact CG2-CD1 3.83Å; V119-L142 HydrophobicContact CG2-CD2 3.94Å; V119-L142 HydrophobicContact CG2-CG 3.82Å; C138-L142 PolarHBondContact O-N 2.81Å; I139-L142 PolarHBondContact O-N 3Å; L142-Y144 PolarHBondContact O-N 2.99Å; L142-V222 HydrophobicContact CD1-CB 3.9Å; L142-V222 HydrophobicContact CD1-CG2 3.67Å
143S85.5Confident77.1Confident42 Ų4283.8 Ų83.829%0.29442%0.42SS..Hα-helixtrans-76.6-21.9178.2-15.70000113.7L116 I139 R202 D205L116-S143 WeakPolarHBondContact CD1-OG 3.41Å; I139-S143 PolarHBondContact O-N 2.91Å; I139-S143 PolarHBondContact O-OG 2.84Å; S143-R202 PolarHBondContact OG-NH1 3.35Å; S143-D205 PolarHBondContact OG-OD2 3.34Å
144Y75.1Confident75.6Confident180 Ų18080.1 Ų80.171%0.70640%0.398SS*.Hα-helixtrans-87-32.7172.5-73.1-55.6000112.8R140 L142 K146 R202R140-Y144 WeakPolarHBondContact O-CD2 3.33Å; R140-Y144 PolarHBondContact O-N 2.62Å; L142-Y144 PolarHBondContact O-N 2.99Å; Y144-K146 PolarHBondContact O-N 3.39Å; Y144-R202 VanDerWaalsContact CD1-NH2 3.28Å
145H68.4Low74.1Confident110 Ų11082.2 Ų82.251%0.50942%0.42SS..  trans-97.991.3-174.9-128.1-72.9000109.8Q141 N147Q141-H145 WeakPolarHBondContact O-CB 3.41Å; Q141-H145 PolarHBondContact O-N 3.37Å; Q141-H145 VanDerWaalsContact O-N 3.07Å; H145-N147 VanDerWaalsContact C-N 3.26Å; H145-N147 PolarHBondContact CE1-OD1 3.49Å; H145-N147 VanDerWaalsContact CE1-OD1 3.31Å; H145-N147 PolarHBondContact ND1-OD1 2.83Å; H145-N147 PolarHBondContact O-N 2.72Å
146K61.2Low72.8Confident164 Ų16483.6 Ų83.671%0.71344%0.436SS*.  trans-76.382.1167-170.4173.9179.8174.80108.6Y144 N148 E159Y144-K146 PolarHBondContact O-N 3.39Å; K146-N148 PolarHBondContact O-N 3.41Å; K146-E159 WeakPolarHBondContact CA-OE1 3.26Å
147N56.1Low72.1Confident83 Ų8384 Ų8444%0.44444%0.436SS..  trans-77.9110.9175.3-89.2-8.1000107.9H145 L149 E159H145-N147 VanDerWaalsContact C-N 3.26Å; H145-N147 PolarHBondContact CE1-OD1 3.49Å; H145-N147 VanDerWaalsContact CE1-OD1 3.31Å; H145-N147 PolarHBondContact ND1-OD1 2.83Å; H145-N147 PolarHBondContact O-N 2.72Å; N147-L149 PolarHBondContact O-N 2.75Å; N147-E159 PolarHBondContact N-OE1 3.26Å; N147-E159 VanDerWaalsContact O-CD 3.32Å
148N51Low71.4Confident152 Ų15280.8 Ų80.881%0.81342%0.421SS*.  trans-68.124.5170.6-64.3-77.7000112.8K146 H150K146-N148 PolarHBondContact O-N 3.41Å; N148-H150 PolarHBondContact O-N 3.38Å
149L52Low70.9Confident141 Ų14183.8 Ų83.874%0.73844%0.435SS*.  trans-93.796.4179.1-16068.3000107.9N147 D151N147-L149 PolarHBondContact O-N 2.75Å; L149-D151 PolarHBondContact O-N 3.36Å
150H54Low70.4Confident157 Ų15786.2 Ų86.273%0.72746%0.46SS*.  trans-56.3103.9173.1-160.8-37.9000108.6N148 P152N148-H150 PolarHBondContact O-N 3.38Å; H150-P152 WeakPolarHBondContact O-CD 3.46Å
151D61.2Low70.3Confident46 Ų4685 Ų8525%0.24646%0.458CS..  trans-64.7114.7172.5175.913.5000108.1W118 L149 M153 A154W118-D151 VanDerWaalsContact CZ2-OD2 3.29Å; W118-D151 WeakPolarHBondContact CZ2-OD2 3.49Å; W118-D151 PolarHBondContact NE1-OD2 2.91Å; L149-D151 PolarHBondContact O-N 3.36Å; D151-M153 PolarHBondContact O-N 2.7Å; D151-M153 WeakPolarHBondContact OD1-CB 3.19Å; D151-M153 PolarHBondContact OD1-N 2.65Å; D151-A154 HydrophobicContact CB-CB 3.87Å; D151-A154 PolarHBondContact O-N 3.23Å; D151-A154 WeakPolarHBondContact OD2-CB 3.46Å; D151-A154 PolarHBondContact OD2-N 3.08Å
152P58Low70.4Confident124 Ų12483.9 Ų83.981%0.80546%0.455SS*.THydrogen-bonded Turntrans-64.7-21.3178.1-15.930.4000112.1H150H150-P152 WeakPolarHBondContact O-CD 3.46Å
153M60.9Low70.7Confident129 Ų12983 Ų8364%0.63545%0.451SS*.THydrogen-bonded Turntrans-92.5-5.8-178.2-64.7-145.6-63.800114.1D151 G155D151-M153 PolarHBondContact O-N 2.7Å; D151-M153 WeakPolarHBondContact OD1-CB 3.19Å; D151-M153 PolarHBondContact OD1-N 2.65Å; M153-G155 PolarHBondContact O-N 3.37Å
154A64.4Low71.2Confident8 Ų882.4 Ų82.47%0.06644%0.444CS..SBendtrans-76.813.4-177.300000114.7D151 G156 W157 G158D151-A154 HydrophobicContact CB-CB 3.87Å; D151-A154 PolarHBondContact O-N 3.23Å; D151-A154 WeakPolarHBondContact OD2-CB 3.46Å; D151-A154 PolarHBondContact OD2-N 3.08Å; A154-G156 PolarHBondContact O-N 2.77Å; A154-W157 PolarHBondContact O-N 2.99Å; A154-G158 VanDerWaalsContact CB-CA 3.46Å; A154-G158 PolarHBondContact O-N 2.85Å
155G63.3Low72.2Confident55 Ų5574.3 Ų74.357%0.56741%0.413SS*.THydrogen-bonded Turntrans55.628.3162.100000116.2M153 W157M153-G155 PolarHBondContact O-N 3.37Å; G155-W157 VanDerWaalsContact C-N 3.34Å; G155-W157 VanDerWaalsContact O-CD1 3.25Å; G155-W157 PolarHBondContact O-N 3.46Å
156G69.6Low73.5Confident34 Ų3470.4 Ų70.435%0.35140%0.395SS..THydrogen-bonded Turntrans80.53.8-179.800000115.8A154 K161A154-G156 PolarHBondContact O-N 2.77Å; G156-K161 WeakPolarHBondContact O-CD 3.34Å; G156-K161 WeakPolarHBondContact O-CE 2.96Å; G156-K161 PolarHBondContact O-NZ 2.83Å
157W79.6Confident75.2Confident25 Ų2565.2 Ų65.210%0.09538%0.375CS..  trans-126.920.517655.8-86.8000112.9S115 A154 G155 L163 L174 L183 H184 H221S115-W157 VanDerWaalsContact CB-O 3.24Å; S115-W157 WeakPolarHBondContact CB-O 3.3Å; S115-W157 PolarHBondContact OG-O 2.93Å; A154-W157 PolarHBondContact O-N 2.99Å; G155-W157 VanDerWaalsContact C-N 3.34Å; G155-W157 VanDerWaalsContact O-CD1 3.25Å; G155-W157 PolarHBondContact O-N 3.46Å; W157-L163 HydrophobicContact CB-CD1 3.74Å; W157-L163 HydrophobicContact CB-CD2 4.38Å; W157-L174 HydrophobicContact CD2-CD1 3.93Å; W157-L174 HydrophobicContact CE3-CD1 3.5Å; W157-L174 HydrophobicContact CG-CD1 4.37Å; W157-L174 HydrophobicContact CZ3-CD1 3.91Å; W157-L183 HydrophobicContact CB-CB 4.25Å; W157-L183 HydrophobicContact CB-CD1 3.9Å; W157-L183 HydrophobicContact CG-CB 4.45Å; W157-H184 HydrophobicContact CD2-CB 4.38Å; W157-H184 HydrophobicContact CZ2-CB 4.3Å; W157-H184 AromaticContact CZ2-CG 3.86Å; W157-H184 AromaticContact CZ2-ND1 3.77Å; W157-H221 AromaticContact CH2-CE1 3.26Å; W157-H221 WeakPolarHBondContact CH2-CE1 3.48Å; W157-H221 AromaticContact CH2-ND1 3.37Å; W157-H221 WeakPolarHBondContact CH2-ND1 3.29Å; W157-H221 AromaticContact CH2-NE2 3.94Å; W157-H221 AromaticContact CZ3-CE1 3.75Å; W157-H221 AromaticContact CZ3-ND1 3.33Å; W157-H221 VanDerWaalsContact CZ3-ND1 3.33Å; W157-H221 WeakPolarHBondContact CZ3-ND1 2.97Å
158G78Confident77Confident10 Ų1063.3 Ų63.310%0.10336%0.363CS..  trans-67.2-174.8177.100000115.2S115 A154 K161S115-G158 WeakPolarHBondContact CB-O 3.4Å; S115-G158 PolarHBondContact OG-O 3.2Å; A154-G158 VanDerWaalsContact CB-CA 3.46Å; A154-G158 PolarHBondContact O-N 2.85Å; G158-K161 WeakPolarHBondContact O-CB 3.35Å; G158-K161 WeakPolarHBondContact O-CG 3.44Å; G158-K161 PolarHBondContact O-N 3.46Å
159E83.9Confident79Confident67 Ų6762.3 Ų62.331%0.31336%0.358SS..THydrogen-bonded Turntrans-46.8137.5-175-174.5-171.4157.600113.3S115 K146 N147 K161S115-E159 CarbonylContact O-C 3.53Å; S115-E159 WeakPolarHBondContact O-CA 3.49Å; K146-E159 WeakPolarHBondContact CA-OE1 3.26Å; N147-E159 PolarHBondContact N-OE1 3.26Å; N147-E159 VanDerWaalsContact O-CD 3.32Å; E159-K161 VanDerWaalsContact C-N 3.34Å; E159-K161 PolarHBondContact O-N 3.39Å
160G84.3Confident81Confident52 Ų5262.1 Ų62.154%0.53635%0.353SS..THydrogen-bonded Turntrans84.5-1.7174.500000115.1S115S115-G160 PolarHBondContact O-N 3.1Å
161K88.9Confident83Confident74 Ų7456 Ų5632%0.32233%0.327SS..  trans-88.3128.9-177.7-67.5-168.9171-152.90112.6R114 S115 G156 G158 E159 L163R114-K161 CarbonylContact C-O 3.59Å; R114-K161 WeakPolarHBondContact CA-O 3.47Å; S115-K161 PolarHBondContact N-O 3.01Å; G156-K161 WeakPolarHBondContact O-CD 3.34Å; G156-K161 WeakPolarHBondContact O-CE 2.96Å; G156-K161 PolarHBondContact O-NZ 2.83Å; G158-K161 WeakPolarHBondContact O-CB 3.35Å; G158-K161 WeakPolarHBondContact O-CG 3.44Å; G158-K161 PolarHBondContact O-N 3.46Å; E159-K161 VanDerWaalsContact C-N 3.34Å; E159-K161 PolarHBondContact O-N 3.39Å; K161-L163 HydrophobicContact CB-CD2 4.44Å; K161-L163 HydrophobicContact CB-CG 4.37Å
162D93.1Very high84.7Confident86 Ų8654 Ų5446%0.4632%0.316SS..EExtended strand (participates in β ladder)trans-75.8127.8169.2-63.5-47.3000109.6R114 P177R114-D162 IonicContact CZ-OD1 3.77Å; R114-D162 VanDerWaalsContact CZ-OD1 3.28Å; R114-D162 IonicContact NE-OD1 2.9Å; R114-D162 PolarHBondContact NE-OD1 3.39Å; R114-D162 IonicContact NH2-OD1 2.66Å; R114-D162 PolarHBondContact NH2-OD1 2.78Å; R114-D162 IonicContact NH2-OD2 3.54Å; D162-P177 VanDerWaalsContact O-CD 3.32Å; D162-P177 WeakPolarHBondContact O-CD 3.26Å
163L95.3Very high86.5Confident4 Ų450.1 Ų50.12%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-137.7162-171.9-61.6174.1000110.7V113 W157 K161 L174 L183 F223V113-L163 HydrophobicContact CG2-CB 4.12Å; V113-L163 PolarHBondContact N-O 3.04Å; V113-L163 PolarHBondContact O-N 2.97Å; V113-L163 VanDerWaalsContact O-O 3.1Å; W157-L163 HydrophobicContact CB-CD1 3.74Å; W157-L163 HydrophobicContact CB-CD2 4.38Å; K161-L163 HydrophobicContact CB-CD2 4.44Å; K161-L163 HydrophobicContact CB-CG 4.37Å; L163-L174 HydrophobicContact CD1-CD1 4.35Å; L163-L183 HydrophobicContact CD2-CD1 3.44Å; L163-L183 VanDerWaalsContact CD2-CD1 3.44Å; L163-F223 HydrophobicContact CD1-CE1 4.42Å
164L95.8Very high88.2Confident30 Ų3044 Ų4416%0.15726%0.256CS..EExtended strand (participates in β ladder)trans-102.8118.4165.2-63.3176.1000109.2F111 A112 L174 V175 P177 Q180F111-L164 WeakPolarHBondContact O-CA 3.47Å; A112-L164 HydrophobicContact CB-CD2 4.4Å; L164-L174 WeakPolarHBondContact O-CA 3.46Å; L164-V175 HydrophobicContact CB-CB 4.25Å; L164-V175 PolarHBondContact N-O 3.2Å; L164-V175 PolarHBondContact O-N 2.76Å; L164-P177 HydrophobicContact CD1-CB 4.5Å; L164-P177 HydrophobicContact CG-CB 4.32Å; L164-P177 HydrophobicContact CG-CG 4.22Å; L164-Q180 VanDerWaalsContact CD1-NE2 3.33Å
165L96.9Very high89.7Confident9 Ų943.9 Ų43.95%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-90.7114.9170.1-170.9161.1000108.5C110 F111 V113 L167 L172 K173 L174 F206C110-L165 CarbonylContact C-O 3.49Å; C110-L165 WeakPolarHBondContact CA-O 3.47Å; F111-L165 HydrophobicContact CB-CB 4.49Å; F111-L165 HydrophobicContact CD2-CD2 4.11Å; F111-L165 PolarHBondContact N-O 3.27Å; F111-L165 PolarHBondContact O-N 3.15Å; V113-L165 HydrophobicContact CG1-CB 4.03Å; V113-L165 HydrophobicContact CG1-CD1 4.5Å; V113-L165 HydrophobicContact CG2-CB 3.84Å; L165-L167 HydrophobicContact CD2-CD2 4.01Å; L165-L167 HydrophobicContact CD2-CG 4.08Å; L165-L172 HydrophobicContact CD1-CD1 4.15Å; L165-L172 HydrophobicContact CD1-CD2 4.35Å; L165-L172 HydrophobicContact CD1-CG 4.37Å; L165-L172 HydrophobicContact CD2-CD1 4.24Å; L165-L172 HydrophobicContact CD2-CG 4Å; L165-L172 HydrophobicContact CG-CD1 4.34Å; L165-L172 HydrophobicContact CG-CD2 4.09Å; L165-L172 HydrophobicContact CG-CG 4.05Å; L165-K173 CarbonylContact C-O 3.55Å; L165-K173 WeakPolarHBondContact CA-O 3.37Å; L165-L174 HydrophobicContact CB-CD2 4.15Å; L165-L174 HydrophobicContact CD1-CD2 4.39Å; L165-L174 HydrophobicContact CG-CD2 4.15Å; L165-F206 HydrophobicContact CD1-CD1 4.16Å; L165-F206 HydrophobicContact CD1-CE1 4.06Å
166Q96.1Very high91.1Very high29 Ų2944 Ų4414%0.13624%0.241CC..EExtended strand (participates in β ladder)trans-113.1131-179.3-66176.60.300110.1I108 K109 C110 L172 K173I108-Q166 HydrophobicContact CG2-CB 4.4Å; K109-Q166 CarbonylContact O-C 3.59Å; K109-Q166 WeakPolarHBondContact O-CA 3.24Å; C110-Q166 HydrophobicContact CB-CG 4.19Å; Q166-L172 CarbonylContact O-C 3.51Å; Q166-L172 WeakPolarHBondContact O-CA 3.47Å; Q166-K173 HydrophobicContact CB-CB 4.27Å; Q166-K173 PolarHBondContact N-O 2.95Å; Q166-K173 PolarHBondContact O-N 3.5Å
167L96.3Very high92.2Very high55 Ų5544.5 Ų44.529%0.28824%0.238SC..EExtended strand (participates in β ladder)trans-103.2108.9169.5-59175.8000107.7K109 F111 L165 L172 I188K109-L167 HydrophobicContact CB-CB 4.38Å; K109-L167 PolarHBondContact N-O 2.84Å; K109-L167 PolarHBondContact O-N 2.86Å; F111-L167 HydrophobicContact CE2-CD1 4.16Å; L165-L167 HydrophobicContact CD2-CD2 4.01Å; L165-L167 HydrophobicContact CD2-CG 4.08Å; L167-L172 HydrophobicContact CD2-CB 3.9Å; L167-L172 HydrophobicContact CD2-CD1 4.26Å; L167-L172 HydrophobicContact CD2-CG 4Å; L167-I188 HydrophobicContact CD2-CD1 4.28Å
168E94.8Very high92.6Very high43 Ų4350.5 Ų50.520%0.20127%0.267CS..EExtended strand (participates in β ladder)trans-145.4136.3-177.5179.5-179.8-145.900109.5I108 E170 T171 K173I108-E168 HydrophobicContact CD1-CG 4.08Å; I108-E168 WeakPolarHBondContact CD1-OE1 3.49Å; I108-E168 HydrophobicContact CG1-CB 4.08Å; I108-E168 HydrophobicContact CG1-CG 3.83Å; I108-E168 HydrophobicContact CG2-CB 4.26Å; E168-E170 PolarHBondContact O-N 3.45Å; E168-T171 PolarHBondContact N-O 3.34Å; E168-T171 WeakPolarHBondContact O-CA 3.45Å; E168-T171 WeakPolarHBondContact O-CB 3.43Å; E168-T171 PolarHBondContact O-N 3Å; E168-K173 IonicContact OE2-NZ 3.49Å; E168-K173 PolarHBondContact OE2-NZ 2.72Å
169D92.3Very high93.2Very high131 Ų13154.2 Ų54.270%0.70128%0.284SS*.THydrogen-bonded Turntrans48.752.3176-57.3-36.1000113.5T171D169-T171 PolarHBondContact O-N 3.29Å; D169-T171 PolarHBondContact O-OG1 3.07Å
170E94.4Very high93.5Very high136 Ų13656.3 Ų56.364%0.63629%0.294SS*.THydrogen-bonded Turntrans55.724.6-178.6-60.9-66.1116.700113.8E168 I188E168-E170 PolarHBondContact O-N 3.45Å; E170-I188 WeakPolarHBondContact O-CB 3.33Å; E170-I188 WeakPolarHBondContact O-CG1 3.39Å; E170-I188 PolarHBondContact O-N 3.06Å
171T96Very high93.9Very high30 Ų3057 Ų5718%0.18429%0.288CS..EExtended strand (participates in β ladder)trans-131.2131.8-176.5-540000110.5E168 D169 K173 A185E168-T171 PolarHBondContact N-O 3.34Å; E168-T171 WeakPolarHBondContact O-CA 3.45Å; E168-T171 WeakPolarHBondContact O-CB 3.43Å; E168-T171 PolarHBondContact O-N 3Å; D169-T171 PolarHBondContact O-N 3.29Å; D169-T171 PolarHBondContact O-OG1 3.07Å; T171-K173 HydrophobicContact CG2-CG 4.05Å; T171-A185 HydrophobicContact CG2-CB 4.1Å
172L97.1Very high94.2Very high4 Ų458.1 Ų58.12%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-85.5119.1167.9-175.4161.7000108.6L165 Q166 L167 L174 A185 Q186 I191 F206 Y208L165-L172 HydrophobicContact CD1-CD1 4.15Å; L165-L172 HydrophobicContact CD1-CD2 4.35Å; L165-L172 HydrophobicContact CD1-CG 4.37Å; L165-L172 HydrophobicContact CD2-CD1 4.24Å; L165-L172 HydrophobicContact CD2-CG 4Å; L165-L172 HydrophobicContact CG-CD1 4.34Å; L165-L172 HydrophobicContact CG-CD2 4.09Å; L165-L172 HydrophobicContact CG-CG 4.05Å; Q166-L172 CarbonylContact O-C 3.51Å; Q166-L172 WeakPolarHBondContact O-CA 3.47Å; L167-L172 HydrophobicContact CD2-CB 3.9Å; L167-L172 HydrophobicContact CD2-CD1 4.26Å; L167-L172 HydrophobicContact CD2-CG 4Å; L172-L174 HydrophobicContact CD2-CD2 4.1Å; L172-L174 HydrophobicContact CD2-CG 4.24Å; L172-A185 CarbonylContact O-C 3.56Å; L172-A185 WeakPolarHBondContact O-CA 3.18Å; L172-Q186 HydrophobicContact CB-CB 4.44Å; L172-Q186 PolarHBondContact N-O 2.77Å; L172-Q186 PolarHBondContact O-N 3.3Å; L172-I191 HydrophobicContact CD1-CD1 4.2Å; L172-F206 HydrophobicContact CD1-CE1 4.34Å; L172-Y208 HydrophobicContact CD1-CD1 4.02Å; L172-Y208 HydrophobicContact CD1-CE1 4.07Å; L172-Y208 HydrophobicContact CD2-CE1 4.13Å
173K96.3Very high94.2Very high41 Ų4156.2 Ų56.218%0.17829%0.286CS..EExtended strand (participates in β ladder)trans-114136.9-179-61.9177.7-170.5174.70109.7L165 Q166 E168 T171 V175 L182 H184 A185L165-K173 CarbonylContact C-O 3.55Å; L165-K173 WeakPolarHBondContact CA-O 3.37Å; Q166-K173 HydrophobicContact CB-CB 4.27Å; Q166-K173 PolarHBondContact N-O 2.95Å; Q166-K173 PolarHBondContact O-N 3.5Å; E168-K173 IonicContact OE2-NZ 3.49Å; E168-K173 PolarHBondContact OE2-NZ 2.72Å; T171-K173 HydrophobicContact CG2-CG 4.05Å; K173-V175 HydrophobicContact CB-CG2 4.44Å; K173-L182 HydrophobicContact CB-CD1 3.72Å; K173-L182 HydrophobicContact CD-CD1 4.19Å; K173-L182 HydrophobicContact CG-CD1 4.02Å; K173-H184 CarbonylContact C-O 3.6Å; K173-H184 WeakPolarHBondContact CA-O 3.33Å; K173-A185 HydrophobicContact CG-CB 4.43Å
174L95.9Very high94.1Very high0 Ų058.2 Ų58.20%030%0.296CS..EExtended strand (participates in β ladder)trans-105.8122169.2-59.9177000108.3W157 L163 L164 L165 L172 L183 H184 F223W157-L174 HydrophobicContact CD2-CD1 3.93Å; W157-L174 HydrophobicContact CE3-CD1 3.5Å; W157-L174 HydrophobicContact CG-CD1 4.37Å; W157-L174 HydrophobicContact CZ3-CD1 3.91Å; L163-L174 HydrophobicContact CD1-CD1 4.35Å; L164-L174 WeakPolarHBondContact O-CA 3.46Å; L165-L174 HydrophobicContact CB-CD2 4.15Å; L165-L174 HydrophobicContact CD1-CD2 4.39Å; L165-L174 HydrophobicContact CG-CD2 4.15Å; L172-L174 HydrophobicContact CD2-CD2 4.1Å; L172-L174 HydrophobicContact CD2-CG 4.24Å; L174-L183 PolarHBondContact O-N 2.83Å; L174-H184 HydrophobicContact CB-CB 4.09Å; L174-H184 HydrophobicContact CD1-CB 4.07Å; L174-H184 HydrophobicContact CG-CB 4.31Å; L174-H184 PolarHBondContact N-O 3.33Å; L174-H184 PolarHBondContact O-N 3.04Å; L174-F223 HydrophobicContact CD1-CE1 3.79Å; L174-F223 HydrophobicContact CD1-CZ 3.73Å; L174-F223 HydrophobicContact CD2-CE1 3.75Å; L174-F223 HydrophobicContact CD2-CZ 3.99Å; L174-F223 HydrophobicContact CG-CE1 4.45Å; L174-F223 HydrophobicContact CG-CZ 4.48Å
175V95.3Very high94Very high7 Ų758.6 Ų58.64%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-123.4138.6-174178.70000109.4L164 K173 Q180 T181 L182L164-V175 HydrophobicContact CB-CB 4.25Å; L164-V175 PolarHBondContact N-O 3.2Å; L164-V175 PolarHBondContact O-N 2.76Å; K173-V175 HydrophobicContact CB-CG2 4.44Å; V175-Q180 VanDerWaalsContact CG1-C 3.45Å; V175-Q180 HydrophobicContact CG1-CB 4.29Å; V175-T181 WeakPolarHBondContact CA-O 3.43Å; V175-L182 HydrophobicContact CG2-CD1 4.08Å
176E93.9Very high94Very high58 Ų5858.7 Ų58.727%0.27130%0.303SS..  trans-72127.3174.3-176164.3-109.800110.4Q178 N179 Q180 T181 L183E176-Q178 PolarHBondContact O-N 3.49Å; E176-N179 WeakPolarHBondContact CB-OD1 3.38Å; E176-N179 PolarHBondContact OE2-ND2 2.94Å; E176-N179 PolarHBondContact OE2-OD1 3Å; E176-N179 VanDerWaalsContact OE2-OD1 3.06Å; E176-Q180 VanDerWaalsContact O-CA 3.23Å; E176-Q180 WeakPolarHBondContact O-CA 3.39Å; E176-Q180 PolarHBondContact O-N 3.38Å; E176-T181 PolarHBondContact N-O 3.27Å; E176-L183 HydrophobicContact CB-CD1 4.14Å; E176-L183 HydrophobicContact CB-CD2 4.36Å; E176-L183 HydrophobicContact CB-CG 4.28Å
177P91.4Very high94Very high43 Ų4359.2 Ų59.228%0.27931%0.309SS..THydrogen-bonded Turntrans-61.6-38.4-172.8-23.732.2000114.4D162 L164 Q180D162-P177 VanDerWaalsContact O-CD 3.32Å; D162-P177 WeakPolarHBondContact O-CD 3.26Å; L164-P177 HydrophobicContact CD1-CB 4.5Å; L164-P177 HydrophobicContact CG-CB 4.32Å; L164-P177 HydrophobicContact CG-CG 4.22Å; P177-Q180 PolarHBondContact O-NE2 3.18Å
178Q89.7Confident94Very high152 Ų15259 Ų5971%0.7131%0.308SS*.THydrogen-bonded Turntrans-74.2-42.4-169-6678.2600113.3E176E176-Q178 PolarHBondContact O-N 3.49Å
179N90.1Very high94.1Very high88 Ų8863.1 Ų63.147%0.47134%0.336SS..THydrogen-bonded Turntrans-117.20.7-174.662.316.3000113.2E176 T181E176-N179 WeakPolarHBondContact CB-OD1 3.38Å; E176-N179 PolarHBondContact OE2-ND2 2.94Å; E176-N179 PolarHBondContact OE2-OD1 3Å; E176-N179 VanDerWaalsContact OE2-OD1 3.06Å; N179-T181 PolarHBondContact ND2-OG1 2.83Å; N179-T181 PolarHBondContact O-N 3.17Å; N179-T181 VanDerWaalsContact OD1-CB 3.23Å; N179-T181 WeakPolarHBondContact OD1-CB 3.29Å; N179-T181 PolarHBondContact OD1-N 3.43Å; N179-T181 PolarHBondContact OD1-OG1 2.92Å
180Q90Very high94.3Very high110 Ų11059 Ų5951%0.51432%0.317SS..  trans58.629.1-177.8-60-72.9-58.400113.4L164 V175 E176 P177L164-Q180 VanDerWaalsContact CD1-NE2 3.33Å; V175-Q180 VanDerWaalsContact CG1-C 3.45Å; V175-Q180 HydrophobicContact CG1-CB 4.29Å; E176-Q180 VanDerWaalsContact O-CA 3.23Å; E176-Q180 WeakPolarHBondContact O-CA 3.39Å; E176-Q180 PolarHBondContact O-N 3.38Å; P177-Q180 PolarHBondContact O-NE2 3.18Å
181T93.1Very high94.4Very high67 Ų6753.6 Ų53.641%0.41129%0.292SS..  trans-75.4129.3177.3-57.90000110.5V175 E176 N179 L183V175-T181 WeakPolarHBondContact CA-O 3.43Å; E176-T181 PolarHBondContact N-O 3.27Å; N179-T181 PolarHBondContact ND2-OG1 2.83Å; N179-T181 PolarHBondContact O-N 3.17Å; N179-T181 VanDerWaalsContact OD1-CB 3.23Å; N179-T181 WeakPolarHBondContact OD1-CB 3.29Å; N179-T181 PolarHBondContact OD1-N 3.43Å; N179-T181 PolarHBondContact OD1-OG1 2.92Å; T181-L183 HydrophobicContact CG2-CD2 4.41Å; T181-L183 PolarHBondContact O-N 3.05Å
182L93.7Very high94.4Very high97 Ų9756.8 Ų56.851%0.50830%0.301SS..EExtended strand (participates in β ladder)trans-70.1114.7172.2-178.467.1000110K173 V175 H184 A185K173-L182 HydrophobicContact CB-CD1 3.72Å; K173-L182 HydrophobicContact CD-CD1 4.19Å; K173-L182 HydrophobicContact CG-CD1 4.02Å; V175-L182 HydrophobicContact CG2-CD1 4.08Å; L182-H184 WeakPolarHBondContact CD1-O 3.33Å; L182-A185 HydrophobicContact CD2-CB 4.48Å
183L93.4Very high94.4Very high46 Ų4657.8 Ų57.824%0.24131%0.307CS..EExtended strand (participates in β ladder)trans-93.2-40.3179.5-57.3-179.1000111.9W157 L163 L174 E176 T181W157-L183 HydrophobicContact CB-CB 4.25Å; W157-L183 HydrophobicContact CB-CD1 3.9Å; W157-L183 HydrophobicContact CG-CB 4.45Å; L163-L183 HydrophobicContact CD2-CD1 3.44Å; L163-L183 VanDerWaalsContact CD2-CD1 3.44Å; L174-L183 PolarHBondContact O-N 2.83Å; E176-L183 HydrophobicContact CB-CD1 4.14Å; E176-L183 HydrophobicContact CB-CD2 4.36Å; E176-L183 HydrophobicContact CB-CG 4.28Å; T181-L183 HydrophobicContact CG2-CD2 4.41Å; T181-L183 PolarHBondContact O-N 3.05Å
184H93.2Very high94.4Very high46 Ų4663.9 Ų63.921%0.21333%0.329CS..EExtended strand (participates in β ladder)trans-148.7148.6-178-170.369.9000111.8W157 K173 L174 L182W157-H184 HydrophobicContact CD2-CB 4.38Å; W157-H184 HydrophobicContact CZ2-CB 4.3Å; W157-H184 AromaticContact CZ2-CG 3.86Å; W157-H184 AromaticContact CZ2-ND1 3.77Å; K173-H184 CarbonylContact C-O 3.6Å; K173-H184 WeakPolarHBondContact CA-O 3.33Å; L174-H184 HydrophobicContact CB-CB 4.09Å; L174-H184 HydrophobicContact CD1-CB 4.07Å; L174-H184 HydrophobicContact CG-CB 4.31Å; L174-H184 PolarHBondContact N-O 3.33Å; L174-H184 PolarHBondContact O-N 3.04Å; L182-H184 WeakPolarHBondContact CD1-O 3.33Å
185A95Very high94.4Very high38 Ų3864.7 Ų64.731%0.31434%0.338SS..EExtended strand (participates in β ladder)trans-139.3117.2175.600000110.5T171 L172 K173 L182T171-A185 HydrophobicContact CG2-CB 4.1Å; L172-A185 CarbonylContact O-C 3.56Å; L172-A185 WeakPolarHBondContact O-CA 3.18Å; K173-A185 HydrophobicContact CG-CB 4.43Å; L182-A185 HydrophobicContact CD2-CB 4.48Å
186Q96.4Very high94.3Very high11 Ų1168.6 Ų68.65%0.05136%0.362CS..EExtended strand (participates in β ladder)trans-116.2111.6-178.7-177.166.865.300109.6L172 I188 S190 I191 Y208 A210L172-Q186 HydrophobicContact CB-CB 4.44Å; L172-Q186 PolarHBondContact N-O 2.77Å; L172-Q186 PolarHBondContact O-N 3.3Å; Q186-I188 PolarHBondContact O-N 2.91Å; Q186-S190 PolarHBondContact NE2-OG 2.99Å; Q186-I191 HydrophobicContact CG-CD1 4.25Å; Q186-I191 HydrophobicContact CG-CG1 3.79Å; Q186-Y208 HydrophobicContact CG-CE2 3.94Å; Q186-A210 VanDerWaalsContact CD-CB 3.44Å; Q186-A210 HydrophobicContact CG-CB 4.15Å; Q186-A210 VanDerWaalsContact OE1-CB 3.28Å
187P96.4Very high94.2Very high40 Ų4066 Ų6626%0.2635%0.35SS..EExtended strand (participates in β ladder)trans-59.3131.6173.9-22.432.6000110.8V189 S190P187-V189 HydrophobicContact CB-CG2 4.03Å; P187-V189 PolarHBondContact O-N 3.33Å; P187-S190 PolarHBondContact O-N 3.34Å; P187-S190 PolarHBondContact O-OG 3.25Å
188I96.6Very high94Very high52 Ų5271.7 Ų71.727%0.26737%0.366SS..G310 helixtrans-60-38.6-176.3-66.1175.2000110.6L167 E170 Q186 S190 I191L167-I188 HydrophobicContact CD2-CD1 4.28Å; E170-I188 WeakPolarHBondContact O-CB 3.33Å; E170-I188 WeakPolarHBondContact O-CG1 3.39Å; E170-I188 PolarHBondContact O-N 3.06Å; Q186-I188 PolarHBondContact O-N 2.91Å; I188-S190 PolarHBondContact O-N 3.21Å; I188-I191 WeakPolarHBondContact O-CB 3.13Å; I188-I191 PolarHBondContact O-N 3.39Å
189V96.2Very high93.8Very high129 Ų12966.4 Ų66.478%0.78234%0.343SS*.G310 helixtrans-59.4-17.1176.3-60.90000114.7P187P187-V189 HydrophobicContact CB-CG2 4.03Å; P187-V189 PolarHBondContact O-N 3.33Å
190S95.9Very high93.2Very high45 Ų4568 Ų6832%0.31536%0.361SS..G310 helixtrans-103.2-1.7179.559.40000113.6Q186 P187 I188Q186-S190 PolarHBondContact NE2-OG 2.99Å; P187-S190 PolarHBondContact O-N 3.34Å; P187-S190 PolarHBondContact O-OG 3.25Å; I188-S190 PolarHBondContact O-N 3.21Å
191I96.9Very high92.7Very high21 Ų2165.6 Ų65.611%0.10837%0.366CS..EExtended strand (participates in β ladder)trans-76.3123.8168.6-60.5176.2000107.5L172 Q186 I188 V193 W194 Y208L172-I191 HydrophobicContact CD1-CD1 4.2Å; Q186-I191 HydrophobicContact CG-CD1 4.25Å; Q186-I191 HydrophobicContact CG-CG1 3.79Å; I188-I191 WeakPolarHBondContact O-CB 3.13Å; I188-I191 PolarHBondContact O-N 3.39Å; I191-V193 WeakPolarHBondContact CG2-O 3.19Å; I191-W194 HydrophobicContact CG2-CE3 4.01Å; I191-Y208 HydrophobicContact CD1-CD2 4.3Å; I191-Y208 HydrophobicContact CD1-CG 4.39Å; I191-Y208 HydrophobicContact CG1-CD2 4.17Å; I191-Y208 HydrophobicContact CG2-CD2 4.37Å
192R95.6Very high92.1Very high98 Ų9863.1 Ų63.137%0.3735%0.349SS..EExtended strand (participates in β ladder)trans-83.8-41.9-178-68.4-171.662.9-166.9-1.6112.4E123 V209 L218E123-R192 VanDerWaalsContact CD-NH1 3.28Å; E123-R192 VanDerWaalsContact CD-NH2 3.35Å; E123-R192 IonicContact OE1-CZ 3.77Å; E123-R192 VanDerWaalsContact OE1-CZ 3.3Å; E123-R192 IonicContact OE1-NH1 2.65Å; E123-R192 PolarHBondContact OE1-NH1 3.45Å; E123-R192 IonicContact OE1-NH2 3.45Å; E123-R192 PolarHBondContact OE1-NH2 2.95Å; E123-R192 IonicContact OE2-CZ 2.78Å; E123-R192 IonicContact OE2-NH1 2.7Å; E123-R192 PolarHBondContact OE2-NH1 3.32Å; E123-R192 IonicContact OE2-NH2 3.38Å; R192-V209 PolarHBondContact N-O 2.97Å; R192-L218 VanDerWaalsContact NH1-CD2 3.33Å
193V96.5Very high91.7Very high25 Ų2564 Ų6415%0.15235%0.35CS..EExtended strand (participates in β ladder)trans-145.5143.5-176.1-174.80000107.5L126 V135 I191 Y208 V209L126-V193 HydrophobicContact CD2-CG2 4.18Å; V135-V193 HydrophobicContact CG2-CG1 3.84Å; I191-V193 WeakPolarHBondContact CG2-O 3.19Å; V193-Y208 CarbonylContact O-C 3.57Å; V193-Y208 WeakPolarHBondContact O-CA 3.34Å; V193-V209 HydrophobicContact CB-CB 4.34Å; V193-V209 HydrophobicContact CB-CG2 4.31Å; V193-V209 PolarHBondContact O-N 2.82Å
194W96.8Very high91.5Very high168 Ų16872.7 Ų72.764%0.63638%0.38SS*.EExtended strand (participates in β ladder)trans-134.3160.5164.564.479.8000109.8I191 F206 A207I191-W194 HydrophobicContact CG2-CE3 4.01Å; W194-F206 HydrophobicContact CB-CE2 4.08Å; W194-F206 HydrophobicContact CB-CZ 4.32Å; W194-A207 CarbonylContact C-O 3.59Å; W194-A207 WeakPolarHBondContact CA-O 3.46Å; W194-A207 WeakPolarHBondContact CB-O 3.42Å
195G95.5Very high91.6Very high18 Ų1871.6 Ų71.619%0.18638%0.376CS..EExtended strand (participates in β ladder)trans-162.4167.3-179.300000112.2F206 A207G195-F206 WeakPolarHBondContact O-CD2 3.33Å; G195-A207 PolarHBondContact N-O 3.34Å; G195-A207 PolarHBondContact O-N 2.63Å
196V94.6Very high91.6Very high89 Ų8972.4 Ų72.454%0.53937%0.372SS..EExtended strand (participates in β ladder)trans-123.2151.4172.5-66.20000108.9D205 F206V196-D205 CarbonylContact C-O 3.5Å; V196-D205 VanDerWaalsContact CA-O 3.26Å; V196-D205 WeakPolarHBondContact CA-O 3.37Å; V196-F206 HydrophobicContact CG1-CD2 4.29Å
197G90.7Very high91.7Very high3 Ų371.9 Ų71.93%0.03137%0.37CS..  trans-62.2135.8177.700000111.1R202 E203 D205G197-R202 VanDerWaalsContact CA-O 3.27Å; G197-R202 WeakPolarHBondContact CA-O 3.44Å; G197-E203 WeakPolarHBondContact O-CA 3.08Å; G197-D205 PolarHBondContact N-O 2.77Å
198R86.9Confident91.7Very high163 Ų16370 Ų7062%0.61536%0.357SS*.  trans-101.8-11-179.3-63.2-176.1-178.9-171.7-1.7113.8N136N136-R198 PolarHBondContact OD1-N 3.08Å
199D86.1Confident91.8Very high40 Ų4067.5 Ų67.521%0.21434%0.344CS..SBendtrans-81.5148.4-178.8-53.8-59.6000110.5N136 R140 G201 R202N136-D199 PolarHBondContact ND2-OD2 3.47Å; R140-D199 WeakPolarHBondContact CG-OD2 3.32Å; R140-D199 IonicContact CZ-OD1 2.63Å; R140-D199 IonicContact CZ-OD2 3.3Å; R140-D199 IonicContact NE-OD1 3.34Å; R140-D199 IonicContact NE-OD2 3.51Å; R140-D199 PolarHBondContact NE-OD2 2.93Å; R140-D199 IonicContact NH2-OD1 2.64Å; R140-D199 PolarHBondContact NH2-OD1 3.16Å; R140-D199 IonicContact NH2-OD2 3.41Å; R140-D199 PolarHBondContact NH2-OD2 2.82Å; D199-G201 PolarHBondContact O-N 2.92Å; D199-G201 VanDerWaalsContact O-N 3.17Å; D199-R202 HydrophobicContact CB-CB 4.45Å; D199-R202 HydrophobicContact CB-CG 4.38Å; D199-R202 WeakPolarHBondContact O-CB 3.47Å; D199-R202 PolarHBondContact O-N 3.18Å
200S77.7Confident91.8Very high121 Ų12161.4 Ų61.485%0.84631%0.308SS*.THydrogen-bonded Turntrans-53.1121.5179.9-174.10000111E203S200-E203 WeakPolarHBondContact CA-OE1 3.48Å
201G79.6Confident91.8Very high60 Ų6066 Ų6662%0.61932%0.318SS*.THydrogen-bonded Turntrans88.31.8-179.100000114.9D199 E203D199-G201 PolarHBondContact O-N 2.92Å; D199-G201 VanDerWaalsContact O-N 3.17Å; G201-E203 VanDerWaalsContact CA-OE2 3.23Å; G201-E203 WeakPolarHBondContact CA-OE2 3.4Å; G201-E203 PolarHBondContact N-OE1 3.45Å; G201-E203 PolarHBondContact N-OE2 3Å
202R80.9Confident91.6Very high16 Ų1667 Ų676%0.0632%0.324CS..  trans-11610177.8-59.6-174.4172.4-115.5-3.8113I139 S143 Y144 G197 D199 R204 D205I139-R202 PolarHBondContact O-NH1 3.48Å; S143-R202 PolarHBondContact OG-NH1 3.35Å; Y144-R202 VanDerWaalsContact CD1-NH2 3.28Å; G197-R202 VanDerWaalsContact CA-O 3.27Å; G197-R202 WeakPolarHBondContact CA-O 3.44Å; D199-R202 HydrophobicContact CB-CB 4.45Å; D199-R202 HydrophobicContact CB-CG 4.38Å; D199-R202 WeakPolarHBondContact O-CB 3.47Å; D199-R202 PolarHBondContact O-N 3.18Å; R202-R204 PolarHBondContact O-N 3.33Å; R202-R204 VanDerWaalsContact O-N 3.07Å; R202-D205 IonicContact NH1-OD2 2.77Å; R202-D205 WeakPolarHBondContact O-CB 3.41Å; R202-D205 PolarHBondContact O-N 2.87Å
203E84.5Confident91.2Very high116 Ų11669.5 Ų69.554%0.54234%0.337SS..THydrogen-bonded Turntrans-65.2-13.3177.9-52.786.7169.600112.1G197 S200 G201G197-E203 WeakPolarHBondContact O-CA 3.08Å; S200-E203 WeakPolarHBondContact CA-OE1 3.48Å; G201-E203 VanDerWaalsContact CA-OE2 3.23Å; G201-E203 WeakPolarHBondContact CA-OE2 3.4Å; G201-E203 PolarHBondContact N-OE1 3.45Å; G201-E203 PolarHBondContact N-OE2 3Å
204R90.5Very high90.8Very high228 Ų22876 Ų7686%0.8637%0.37SS*.THydrogen-bonded Turntrans-87.3-19.1173.9-60.8-175.7-177.7-87.1-1.2113.3R202 F206R202-R204 PolarHBondContact O-N 3.33Å; R202-R204 VanDerWaalsContact O-N 3.07Å; R204-F206 PolarHBondContact O-N 3.46Å
205D93.8Very high90.4Very high23 Ų2370.5 Ų70.512%0.12336%0.355CS..  trans-75.5125.2-178-63.5-5.1000108.6I139 S143 V196 G197 R202 F223I139-D205 HydrophobicContact CG2-CB 3.5Å; I139-D205 VanDerWaalsContact CG2-CB 3.5Å; I139-D205 VanDerWaalsContact CG2-OD2 3.29Å; I139-D205 WeakPolarHBondContact CG2-OD2 3.39Å; S143-D205 PolarHBondContact OG-OD2 3.34Å; V196-D205 CarbonylContact C-O 3.5Å; V196-D205 VanDerWaalsContact CA-O 3.26Å; V196-D205 WeakPolarHBondContact CA-O 3.37Å; G197-D205 PolarHBondContact N-O 2.77Å; R202-D205 IonicContact NH1-OD2 2.77Å; R202-D205 WeakPolarHBondContact O-CB 3.41Å; R202-D205 PolarHBondContact O-N 2.87Å; D205-F223 CarbonylContact C-O 3.56Å; D205-F223 WeakPolarHBondContact CA-O 3.12Å
206F96.4Very high90.3Very high54 Ų5474.3 Ų74.324%0.23737%0.368CS..EExtended strand (participates in β ladder)trans-115.6140178.4169.4-104.6000109.8L165 L172 W194 G195 V196 R204 Y208 V222 F223L165-F206 HydrophobicContact CD1-CD1 4.16Å; L165-F206 HydrophobicContact CD1-CE1 4.06Å; L172-F206 HydrophobicContact CD1-CE1 4.34Å; W194-F206 HydrophobicContact CB-CE2 4.08Å; W194-F206 HydrophobicContact CB-CZ 4.32Å; G195-F206 WeakPolarHBondContact O-CD2 3.33Å; V196-F206 HydrophobicContact CG1-CD2 4.29Å; R204-F206 PolarHBondContact O-N 3.46Å; F206-Y208 AromaticContact CE1-CD1 3.97Å; F206-Y208 HydrophobicContact CE1-CD1 3.97Å; F206-V222 CarbonylContact O-C 3.58Å; F206-V222 WeakPolarHBondContact O-CA 3.46Å; F206-F223 HydrophobicContact CD1-CD2 4.07Å; F206-F223 PolarHBondContact N-O 3.44Å; F206-F223 PolarHBondContact O-N 2.64Å
207A97.1Very high90.3Very high0 Ų072.6 Ų72.60%036%0.355CS..EExtended strand (participates in β ladder)trans-136.4145.9176.600000112.1V135 I139 W194 G195 H221 V222V135-A207 HydrophobicContact CG1-CB 3.72Å; I139-A207 HydrophobicContact CD1-CB 3.88Å; I139-A207 HydrophobicContact CG1-CB 3.8Å; W194-A207 CarbonylContact C-O 3.59Å; W194-A207 WeakPolarHBondContact CA-O 3.46Å; W194-A207 WeakPolarHBondContact CB-O 3.42Å; G195-A207 PolarHBondContact N-O 3.34Å; G195-A207 PolarHBondContact O-N 2.63Å; A207-H221 CarbonylContact C-O 3.51Å; A207-H221 WeakPolarHBondContact CA-O 3.29Å; A207-V222 HydrophobicContact CB-CG2 3.93Å
208Y97.7Very high90.5Very high0 Ų073.1 Ų73.10%036%0.357CS..EExtended strand (participates in β ladder)trans-134.9151.8168.777.4-97.2000111.1L172 Q186 I191 V193 F206 A210 C220 H221 F223L172-Y208 HydrophobicContact CD1-CD1 4.02Å; L172-Y208 HydrophobicContact CD1-CE1 4.07Å; L172-Y208 HydrophobicContact CD2-CE1 4.13Å; Q186-Y208 HydrophobicContact CG-CE2 3.94Å; I191-Y208 HydrophobicContact CD1-CD2 4.3Å; I191-Y208 HydrophobicContact CD1-CG 4.39Å; I191-Y208 HydrophobicContact CG1-CD2 4.17Å; I191-Y208 HydrophobicContact CG2-CD2 4.37Å; V193-Y208 CarbonylContact O-C 3.57Å; V193-Y208 WeakPolarHBondContact O-CA 3.34Å; F206-Y208 AromaticContact CE1-CD1 3.97Å; F206-Y208 HydrophobicContact CE1-CD1 3.97Å; Y208-A210 HydrophobicContact CD2-CB 4.08Å; Y208-A210 HydrophobicContact CE2-CB 3.91Å; Y208-C220 CarbonylContact O-C 3.33Å; Y208-C220 WeakPolarHBondContact O-CA 3.37Å; Y208-H221 HydrophobicContact CD1-CB 4.25Å; Y208-H221 HydrophobicContact CE1-CB 3.88Å; Y208-H221 HydrophobicContact CE2-CB 4.34Å; Y208-H221 AromaticContact CE2-CD2 3.59Å; Y208-H221 AromaticContact CZ-CD2 3.7Å; Y208-H221 AromaticContact CZ-CG 3.96Å; Y208-H221 PolarHBondContact N-O 3.42Å; Y208-H221 PolarHBondContact O-N 2.84Å; Y208-F223 AromaticContact CD1-CE2 3.8Å; Y208-F223 HydrophobicContact CD1-CE2 3.8Å; Y208-F223 HydrophobicContact CE1-CD2 4.48Å; Y208-F223 AromaticContact CE1-CE2 3.42Å; Y208-F223 HydrophobicContact CE1-CE2 3.42Å; Y208-F223 VanDerWaalsContact CE1-CE2 3.42Å; Y208-F223 AromaticContact CE1-CZ 3.94Å; Y208-F223 HydrophobicContact CE1-CZ 3.94Å
209V97.6Very high90.9Very high0 Ų066 Ų660%033%0.33CS..EExtended strand (participates in β ladder)trans-116.4123.4177.3-170.70000109.3M121 L126 V135 R192 V193 L218 K219 C220M121-V209 HydrophobicContact CG-CG1 4.26Å; L126-V209 HydrophobicContact CD1-CB 4.46Å; L126-V209 HydrophobicContact CD1-CG1 3.55Å; L126-V209 HydrophobicContact CD2-CB 4.3Å; L126-V209 HydrophobicContact CD2-CG1 4Å; L126-V209 HydrophobicContact CD2-CG2 4.02Å; L126-V209 HydrophobicContact CG-CG1 4.42Å; V135-V209 HydrophobicContact CG2-CG2 3.92Å; R192-V209 PolarHBondContact N-O 2.97Å; V193-V209 HydrophobicContact CB-CB 4.34Å; V193-V209 HydrophobicContact CB-CG2 4.31Å; V193-V209 PolarHBondContact O-N 2.82Å; V209-L218 HydrophobicContact CG1-CB 4.36Å; V209-K219 WeakPolarHBondContact CA-O 3.48Å; V209-C220 HydrophobicContact CG2-CB 3.88Å
210A97.3Very high91.4Very high1 Ų164 Ų641%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-137.9161.6175.900000110.6Q186 Y208 K219Q186-A210 VanDerWaalsContact CD-CB 3.44Å; Q186-A210 HydrophobicContact CG-CB 4.15Å; Q186-A210 VanDerWaalsContact OE1-CB 3.28Å; Y208-A210 HydrophobicContact CD2-CB 4.08Å; Y208-A210 HydrophobicContact CE2-CB 3.91Å; A210-K219 PolarHBondContact N-O 3.44Å; A210-K219 VanDerWaalsContact N-O 3.15Å; A210-K219 PolarHBondContact O-N 3.29Å
211R95.7Very high92.3Very high143 Ų14358.8 Ų58.854%0.5428%0.282SS..EExtended strand (participates in β ladder)trans-87.4124.5175.6-164.1175.3-165.3176.90.4109.9Q216 M217 L218R211-Q216 VanDerWaalsContact CZ-OE1 3.28Å; R211-Q216 PolarHBondContact NE-O 3.46Å; R211-Q216 PolarHBondContact NH2-O 3.43Å; R211-M217 CarbonylContact C-O 3.59Å; R211-M217 WeakPolarHBondContact CA-O 3.42Å; R211-L218 HydrophobicContact CB-CD2 4.14Å; R211-L218 HydrophobicContact CG-CD2 4.47Å
212D91.9Very high93.1Very high41 Ų4156 Ų5622%0.21925%0.253CS..  trans-65.9131.2174.8-171.1-77.6000110.3L214 T215 Q216 M217 K219D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.97Å; D212-L214 WeakPolarHBondContact OD1-CA 3.15Å; D212-L214 WeakPolarHBondContact OD1-CB 3.29Å; D212-L214 PolarHBondContact OD1-N 2.78Å; D212-T215 WeakPolarHBondContact CB-OG1 3.48Å; D212-T215 PolarHBondContact OD1-N 3.4Å; D212-T215 PolarHBondContact OD1-OG1 2.91Å; D212-Q216 WeakPolarHBondContact O-CA 3.19Å; D212-Q216 PolarHBondContact O-N 3.31Å; D212-M217 PolarHBondContact N-O 2.94Å; D212-K219 HydrophobicContact CB-CD 4.15Å; D212-K219 IonicContact OD2-NZ 3.28Å; D212-K219 PolarHBondContact OD2-NZ 3.41Å
213K87Confident93.7Very high151 Ų15156 Ų5666%0.65725%0.253SS*.THydrogen-bonded Turntrans-68.3-32.6-175.4-66180-177.8173.80112.5Q216K213-Q216 PolarHBondContact O-NE2 2.88Å
214L88.1Confident94.2Very high161 Ų16153 Ų5384%0.84324%0.239SC*.THydrogen-bonded Turntrans-87.6-50.5-175.1-62.1173.9000110.7D212D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.97Å; D212-L214 WeakPolarHBondContact OD1-CA 3.15Å; D212-L214 WeakPolarHBondContact OD1-CB 3.29Å; D212-L214 PolarHBondContact OD1-N 2.78Å
215T89.8Confident94.4Very high53 Ų5343.7 Ų43.733%0.32521%0.206SC..THydrogen-bonded Turntrans-89.3-12.4-174.370.90000113.4D212 M217D212-T215 WeakPolarHBondContact CB-OG1 3.48Å; D212-T215 PolarHBondContact OD1-N 3.4Å; D212-T215 PolarHBondContact OD1-OG1 2.91Å; T215-M217 VanDerWaalsContact CB-SD 3.56Å; T215-M217 HydrophobicContact CG2-SD 4.24Å; T215-M217 PolarHBondContact O-N 2.95Å; T215-M217 WeakPolarHBondContact OG1-CB 3.44Å; T215-M217 WeakPolarHBondContact OG1-CG 3.44Å; T215-M217 PolarHBondContact OG1-N 3.4Å; T215-M217 PolarHBondContact OG1-SD 3.48Å
216Q92.2Very high94.4Very high98 Ų9844.9 Ų44.946%0.45821%0.211SC..  trans59.511.1-174-62.3-64.4-56.900114.3R211 D212 K213R211-Q216 VanDerWaalsContact CZ-OE1 3.28Å; R211-Q216 PolarHBondContact NE-O 3.46Å; R211-Q216 PolarHBondContact NH2-O 3.43Å; D212-Q216 WeakPolarHBondContact O-CA 3.19Å; D212-Q216 PolarHBondContact O-N 3.31Å; K213-Q216 PolarHBondContact O-NE2 2.88Å
217M94.1Very high94.3Very high52 Ų5244.4 Ų44.426%0.25621%0.209SC..  trans-81.4150.6177.3-61160.177.900110.3E120 R211 D212 T215E120-M217 HydrophobicContact CB-CE 4.2Å; E120-M217 HydrophobicContact CG-CE 3.74Å; E120-M217 WeakPolarHBondContact OE1-CE 3.35Å; E120-M217 WeakPolarHBondContact OE2-CE 3.35Å; R211-M217 CarbonylContact C-O 3.59Å; R211-M217 WeakPolarHBondContact CA-O 3.42Å; D212-M217 PolarHBondContact N-O 2.94Å; T215-M217 VanDerWaalsContact CB-SD 3.56Å; T215-M217 HydrophobicContact CG2-SD 4.24Å; T215-M217 PolarHBondContact O-N 2.95Å; T215-M217 WeakPolarHBondContact OG1-CB 3.44Å; T215-M217 WeakPolarHBondContact OG1-CG 3.44Å; T215-M217 PolarHBondContact OG1-N 3.4Å; T215-M217 PolarHBondContact OG1-SD 3.48Å
218L95.9Very high94.1Very high15 Ų1547.1 Ų47.18%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-86.2126.7170.3-64.8154.6000108E120 M121 L126 R192 V209 R211E120-L218 WeakPolarHBondContact CA-O 3.44Å; M121-L218 HydrophobicContact CB-CB 4.04Å; M121-L218 PolarHBondContact N-O 2.84Å; M121-L218 WeakPolarHBondContact O-CB 3.45Å; L126-L218 HydrophobicContact CD1-CB 4.28Å; L126-L218 HydrophobicContact CD1-CD1 3.8Å; L126-L218 HydrophobicContact CD1-CD2 4.01Å; L126-L218 HydrophobicContact CD1-CG 4.24Å; R192-L218 VanDerWaalsContact NH1-CD2 3.33Å; V209-L218 HydrophobicContact CG1-CB 4.36Å; R211-L218 HydrophobicContact CB-CD2 4.14Å; R211-L218 HydrophobicContact CG-CD2 4.47Å
219K95.9Very high93.9Very high12 Ų1250.3 Ų50.35%0.05224%0.237CC..EExtended strand (participates in β ladder)trans-120.7125.4-179.8-66-179.4-179.6171.20109.1W118 V119 V209 A210 D212 H221W118-K219 HydrophobicContact CD2-CD 4.02Å; W118-K219 HydrophobicContact CD2-CG 4.36Å; W118-K219 HydrophobicContact CE3-CB 4.26Å; W118-K219 HydrophobicContact CE3-CD 3.85Å; W118-K219 HydrophobicContact CE3-CG 3.76Å; W118-K219 HydrophobicContact CZ3-CD 4.18Å; W118-K219 HydrophobicContact CZ3-CG 4.12Å; V119-K219 WeakPolarHBondContact O-CA 3.41Å; V209-K219 WeakPolarHBondContact CA-O 3.48Å; A210-K219 PolarHBondContact N-O 3.44Å; A210-K219 VanDerWaalsContact N-O 3.15Å; A210-K219 PolarHBondContact O-N 3.29Å; D212-K219 HydrophobicContact CB-CD 4.15Å; D212-K219 IonicContact OD2-NZ 3.28Å; D212-K219 PolarHBondContact OD2-NZ 3.41Å; K219-H221 VanDerWaalsContact CB-NE2 3.33Å; K219-H221 WeakPolarHBondContact CB-NE2 3.1Å
220C96.6Very high93.6Very high0 Ų053.9 Ų53.90%025%0.254CS..EExtended strand (participates in β ladder)trans-86.9109.7166.6-174.10000108.3W118 V119 M121 C138 Y208 V209W118-C220 CarbonylContact C-O 3.56Å; W118-C220 WeakPolarHBondContact CA-O 3.45Å; W118-C220 WeakPolarHBondContact CB-O 3.44Å; V119-C220 PolarHBondContact N-O 3.24Å; V119-C220 PolarHBondContact O-N 3.06Å; M121-C220 HydrophobicContact CG-CB 3.7Å; M121-C220 HydrophobicContact SD-CB 3.86Å; C138-C220 HydrophobicContact CB-CB 4.17Å; C138-C220 VanDerWaalsContact CB-SG 3.55Å; Y208-C220 CarbonylContact O-C 3.33Å; Y208-C220 WeakPolarHBondContact O-CA 3.37Å; V209-C220 HydrophobicContact CG2-CB 3.88Å
221H95.8Very high93.3Very high11 Ų1157.9 Ų57.95%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-94.3131.6176-62.9-75.3000109.3W118 W157 A207 Y208 K219 F223W118-H221 WeakPolarHBondContact CB-ND1 3.41Å; W157-H221 AromaticContact CH2-CE1 3.26Å; W157-H221 WeakPolarHBondContact CH2-CE1 3.48Å; W157-H221 AromaticContact CH2-ND1 3.37Å; W157-H221 WeakPolarHBondContact CH2-ND1 3.29Å; W157-H221 AromaticContact CH2-NE2 3.94Å; W157-H221 AromaticContact CZ3-CE1 3.75Å; W157-H221 AromaticContact CZ3-ND1 3.33Å; W157-H221 VanDerWaalsContact CZ3-ND1 3.33Å; W157-H221 WeakPolarHBondContact CZ3-ND1 2.97Å; A207-H221 CarbonylContact C-O 3.51Å; A207-H221 WeakPolarHBondContact CA-O 3.29Å; Y208-H221 HydrophobicContact CD1-CB 4.25Å; Y208-H221 HydrophobicContact CE1-CB 3.88Å; Y208-H221 HydrophobicContact CE2-CB 4.34Å; Y208-H221 AromaticContact CE2-CD2 3.59Å; Y208-H221 AromaticContact CZ-CD2 3.7Å; Y208-H221 AromaticContact CZ-CG 3.96Å; Y208-H221 PolarHBondContact N-O 3.42Å; Y208-H221 PolarHBondContact O-N 2.84Å; K219-H221 VanDerWaalsContact CB-NE2 3.33Å; K219-H221 WeakPolarHBondContact CB-NE2 3.1Å; H221-F223 HydrophobicContact CB-CE2 3.71Å; H221-F223 HydrophobicContact CB-CZ 4.09Å
222V95.5Very high93.1Very high0 Ų050.8 Ų50.80%025%0.251CS..EExtended strand (participates in β ladder)trans-120.4140.5-177.2-173.20000110.3L116 G117 C138 I139 L142 F206 A207L116-V222 HydrophobicContact CB-CB 4.2Å; L116-V222 HydrophobicContact CB-CG1 4.19Å; L116-V222 HydrophobicContact CD1-CG1 3.94Å; L116-V222 HydrophobicContact CG-CG1 4.43Å; L116-V222 PolarHBondContact N-O 2.81Å; G117-V222 PolarHBondContact O-N 2.68Å; G117-V222 VanDerWaalsContact O-N 3.08Å; C138-V222 HydrophobicContact CB-CG2 4.34Å; I139-V222 HydrophobicContact CB-CG1 4.48Å; I139-V222 HydrophobicContact CG1-CG1 3.95Å; I139-V222 HydrophobicContact CG1-CG2 4.28Å; L142-V222 HydrophobicContact CD1-CB 3.9Å; L142-V222 HydrophobicContact CD1-CG2 3.67Å; F206-V222 CarbonylContact O-C 3.58Å; F206-V222 WeakPolarHBondContact O-CA 3.46Å; A207-V222 HydrophobicContact CB-CG2 3.93Å
223F94.9Very high93.3Very high16 Ų1651.7 Ų51.77%0.0725%0.254CS..  trans-137.30-174.9-59-86.4000112.1V113 R114 L163 L174 D205 F206 Y208 H221V113-F223 HydrophobicContact CB-CB 4.08Å; V113-F223 HydrophobicContact CB-CD1 4.46Å; V113-F223 HydrophobicContact CG2-CB 4.36Å; V113-F223 HydrophobicContact CG2-CD1 3.85Å; V113-F223 HydrophobicContact CG2-CG 4.39Å; R114-F223 CarbonylContact O-C 3.59Å; R114-F223 WeakPolarHBondContact O-CA 3.23Å; L163-F223 HydrophobicContact CD1-CE1 4.42Å; L174-F223 HydrophobicContact CD1-CE1 3.79Å; L174-F223 HydrophobicContact CD1-CZ 3.73Å; L174-F223 HydrophobicContact CD2-CE1 3.75Å; L174-F223 HydrophobicContact CD2-CZ 3.99Å; L174-F223 HydrophobicContact CG-CE1 4.45Å; L174-F223 HydrophobicContact CG-CZ 4.48Å; D205-F223 CarbonylContact C-O 3.56Å; D205-F223 WeakPolarHBondContact CA-O 3.12Å; F206-F223 HydrophobicContact CD1-CD2 4.07Å; F206-F223 PolarHBondContact N-O 3.44Å; F206-F223 PolarHBondContact O-N 2.64Å; Y208-F223 AromaticContact CD1-CE2 3.8Å; Y208-F223 HydrophobicContact CD1-CE2 3.8Å; Y208-F223 HydrophobicContact CE1-CD2 4.48Å; Y208-F223 AromaticContact CE1-CE2 3.42Å; Y208-F223 HydrophobicContact CE1-CE2 3.42Å; Y208-F223 VanDerWaalsContact CE1-CE2 3.42Å; Y208-F223 AromaticContact CE1-CZ 3.94Å; Y208-F223 HydrophobicContact CE1-CZ 3.94Å; H221-F223 HydrophobicContact CB-CE2 3.71Å; H221-F223 HydrophobicContact CB-CZ 4.09Å

Retrieved 223 of 223 residues in 95.7 ms (Link to these results)