A0A087YPT4_POEFO Loading...

Gamma-glutamylaminecyclotransferase

May contribute to degradation of proteins cross-linked by transglutaminases by degrading the cross-link between a lysine and a glutamic acid residue. Catalyzes the formation of 5-oxo-L-proline from L-gamma-glutamyl-L-epsilon-lysine.

AlphaFold DB , UniProt , Accession A0A087YPT4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 176 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
1L42.7Very low41.1Very low227 Ų227166.3 Ų166.3100%1.18885%0.852SS**  0100.60-91.9142.8000108.7
2Q38.2Very low41.5Very low180 Ų180160 Ų16084%0.84183%0.834SS**  trans152.987.1149.1-87172.5-7.500108.8
3N34Very low41.5Very low162 Ų162162.1 Ų162.187%0.86683%0.833SS**  trans-73.3119.8159-73.9-14.4000107.1
4K40.3Very low42Very low200 Ų200163.7 Ų163.787%0.8783%0.832SS**  trans-96.1107.7165.7-80.5-177.3175.4179.60107.6
5T40.3Very low42.5Very low136 Ų136162.3 Ų162.383%0.83483%0.825SS**PPolyproline II helixtrans-87126.9172.6-21.80000108.3
6E45.1Very low42.9Very low176 Ų176158.1 Ų158.182%0.82282%0.815SS**PPolyproline II helixtrans-68149.1171.2-65.1-176.5157.900111
7P43.5Very low42.9Very low124 Ų124159.3 Ų159.381%0.80582%0.816SS**PPolyproline II helixtrans-81.1122.6172.330.5-29.4000111.2Q9P7-Q9 PolarHBondContact O-N 3.48Å
8N39.4Very low43.6Very low144 Ų144159.1 Ų159.177%0.7781%0.811SS**PPolyproline II helixtrans-55.2121.8170.8-83.9-30.7000111.6F10N8-F10 PolarHBondContact O-N 3.33Å
9Q44.2Very low44Very low194 Ų194156 Ų15691%0.90780%0.802SS**  trans-72.4115.9160-82.7176.7-16.900109.2P7P7-Q9 PolarHBondContact O-N 3.48Å
10F41.5Very low44.4Very low184 Ų184152.8 Ų152.881%0.80779%0.794SS**  trans-86130160.3-77.3-84.2000108.6N8 S12N8-F10 PolarHBondContact O-N 3.33Å; F10-S12 PolarHBondContact O-N 3.05Å
11P43.1Very low45.5Very low102 Ų102149.1 Ų149.166%0.66278%0.778SS**  trans-71.2126.8172.427.9-30.5000109.2F13P11-F13 PolarHBondContact O-N 3Å; P11-F13 VanDerWaalsContact O-N 3.09Å
12S45.4Very low47.3Very low91 Ų91145.8 Ų145.864%0.63676%0.755SS**  trans-65107.2168.958.10000108.7F10 F14F10-S12 PolarHBondContact O-N 3.05Å; S12-F14 PolarHBondContact O-N 3.09Å
13F41.8Very low49.9Very low187 Ų187141.2 Ų141.282%0.8273%0.734SS**  trans-66.2100.9165.2-88-94.1000107.9P11 I15P11-F13 PolarHBondContact O-N 3Å; P11-F13 VanDerWaalsContact O-N 3.09Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 3.4Å
14F48.6Very low52.8Low185 Ų185136.6 Ų136.681%0.81171%0.707SS**  trans-66.8100.2160.3-78.6-87.1000106.8S12 S16S12-F14 PolarHBondContact O-N 3.09Å; F14-S16 VanDerWaalsContact C-N 3.31Å; F14-S16 PolarHBondContact O-N 2.97Å
15I48.6Very low55.5Low143 Ų143128.7 Ų128.773%0.73368%0.677SS**  trans-69.998.4162-61.4170.8000104.9F13 Q17F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 3.4Å; I15-Q17 VanDerWaalsContact C-N 3.3Å; I15-Q17 HydrophobicContact CG2-CG 4.33Å; I15-Q17 PolarHBondContact O-N 2.96Å
16S49.4Very low58.3Low94 Ų94122.2 Ų122.266%0.65764%0.637SS**  trans-63.298.6161.951.50000106.7F14 E18F14-S16 VanDerWaalsContact C-N 3.31Å; F14-S16 PolarHBondContact O-N 2.97Å; S16-E18 PolarHBondContact O-N 2.89Å
17Q42.5Very low60.8Low179 Ų179113.9 Ų113.984%0.83660%0.598SS**  trans-65.594.1163.3-74.8-174.2-18.400106.4I15I15-Q17 VanDerWaalsContact C-N 3.3Å; I15-Q17 HydrophobicContact CG2-CG 4.33Å; I15-Q17 PolarHBondContact O-N 2.96Å
18E55.3Low63.4Low156 Ų156108.2 Ų108.273%0.72956%0.561SS**  trans-51.3126161.5-76.6-72.2151.700106.8S16 S20S16-E18 PolarHBondContact O-N 2.89Å; E18-S20 PolarHBondContact O-N 3.2Å
19P51.3Low66.2Low100 Ų100102 Ų10265%0.64953%0.527SS*.  trans-56.1130.2177.722.5-30.2000107.8V21P19-V21 VanDerWaalsContact C-N 3.32Å; P19-V21 PolarHBondContact O-N 2.92Å
20S52.7Low68.7Low91 Ų9193.1 Ų93.164%0.63649%0.487SS*.  trans-58.3102.4170.458.40000107.1E18 F22E18-S20 PolarHBondContact O-N 3.2Å; S20-F22 PolarHBondContact O-N 2.96Å
21V66.7Low71.3Confident76 Ų7684.9 Ų84.946%0.46145%0.453SS..  trans-65.2107.5176.8-176.60000105.5P19 M23 D93P19-V21 VanDerWaalsContact C-N 3.32Å; P19-V21 PolarHBondContact O-N 2.92Å; V21-M23 HydrophobicContact CB-CE 3.94Å; V21-M23 HydrophobicContact CG1-CE 3.68Å; V21-M23 HydrophobicContact CG1-SD 3.91Å; V21-M23 PolarHBondContact O-N 3.06Å; V21-M23 VanDerWaalsContact O-N 3.1Å; V21-D93 HydrophobicContact CG1-CB 3.47Å; V21-D93 VanDerWaalsContact CG1-CB 3.47Å
22F81.4Confident73.9Confident158 Ų15880.2 Ų80.269%0.69342%0.422SS*.  trans-62.2116.2172.2-80-82000107.2S20 H24S20-F22 PolarHBondContact O-N 2.96Å; F22-H24 PolarHBondContact O-CD2 2.68Å
23M92.1Very high76.4Confident84 Ų8476.5 Ų76.541%0.41440%0.395SS..  trans-96.2138.5179.3-67-58.3-176.100109.4V21 Q91 V92 D93V21-M23 HydrophobicContact CB-CE 3.94Å; V21-M23 HydrophobicContact CG1-CE 3.68Å; V21-M23 HydrophobicContact CG1-SD 3.91Å; V21-M23 PolarHBondContact O-N 3.06Å; V21-M23 VanDerWaalsContact O-N 3.1Å; M23-Q91 HydrophobicContact CB-CG 3.63Å; M23-Q91 HydrophobicContact CG-CG 4.11Å; M23-Q91 HydrophobicContact SD-CG 4.41Å; M23-V92 CarbonylContact C-O 3.57Å; M23-V92 WeakPolarHBondContact CA-O 3.24Å; M23-D93 HydrophobicContact SD-CB 4.07Å
24H96.1Very high79Confident64 Ų6473.5 Ų73.530%0.29638%0.378SS..EExtended strand (participates in β ladder)trans-120.1133.6-175.6-58.2-90.6000110F22 Q91 V92 L97F22-H24 PolarHBondContact O-CD2 2.68Å; H24-Q91 CarbonylContact O-C 3.52Å; H24-Q91 WeakPolarHBondContact O-CA 3.39Å; H24-V92 HydrophobicContact CB-CG2 3.94Å; H24-V92 PolarHBondContact N-O 2.86Å; H24-V92 PolarHBondContact O-N 3.12Å; H24-L97 HydrophobicContact CB-CD1 4.42Å; H24-L97 HydrophobicContact CB-CD2 4.09Å
25C96.9Very high81.3Confident35 Ų3568 Ų6824%0.23637%0.374CS..EExtended strand (participates in β ladder)trans-86.1121.3172.2-67.20000109.5Y90 M134 A136 S137C25-Y90 CarbonylContact C-O 3.46Å; C25-Y90 WeakPolarHBondContact CA-O 3.38Å; C25-M134 HydrophobicContact CB-CE 4.33Å; C25-A136 HydrophobicContact CB-CB 3.96Å; C25-S137 PolarHBondContact O-N 2.77Å
26V98.1Very high83.6Confident0 Ų062.1 Ų62.10%034%0.343CS..EExtended strand (participates in β ladder)trans-120.2132.9178.1179.30000109.4V28 Y90 V92 L97 L100 S137 Y139V26-V28 HydrophobicContact CG1-CG1 4.21Å; V26-Y90 PolarHBondContact N-O 2.76Å; V26-Y90 PolarHBondContact O-N 3.19Å; V26-V92 HydrophobicContact CG2-CG2 3.7Å; V26-L97 HydrophobicContact CG2-CD1 3.82Å; V26-L100 HydrophobicContact CG1-CD1 4.47Å; V26-S137 CarbonylContact C-O 2.97Å; V26-S137 WeakPolarHBondContact CA-O 3.45Å; V26-Y139 HydrophobicContact CG1-CE2 4.12Å
27F98.5Very high85.7Confident1 Ų159.7 Ų59.70%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-101.7122.4174.3177-107.3000110.7Y29 A56 T58 G87 E88 I89 L117 A136 S137 V138F27-Y29 HydrophobicContact CE1-CD1 4.45Å; F27-A56 HydrophobicContact CE2-CB 4.31Å; F27-T58 HydrophobicContact CE1-CG2 3.89Å; F27-T58 HydrophobicContact CZ-CG2 4.32Å; F27-G87 VanDerWaalsContact CE2-C 3.49Å; F27-G87 VanDerWaalsContact CE2-CA 3.42Å; F27-E88 WeakPolarHBondContact CA-O 3.42Å; F27-E88 WeakPolarHBondContact CD2-O 3.41Å; F27-I89 HydrophobicContact CD2-CG1 4.19Å; F27-L117 HydrophobicContact CB-CD1 3.61Å; F27-L117 HydrophobicContact CB-CD2 4.47Å; F27-L117 HydrophobicContact CD1-CD2 3.96Å; F27-L117 HydrophobicContact CD2-CD1 3.61Å; F27-L117 HydrophobicContact CD2-CD2 3.89Å; F27-L117 HydrophobicContact CD2-CG 4.41Å; F27-L117 HydrophobicContact CE1-CD2 4.1Å; F27-L117 HydrophobicContact CE2-CD1 4.41Å; F27-L117 HydrophobicContact CE2-CD2 4.02Å; F27-L117 HydrophobicContact CG-CD1 3.69Å; F27-L117 HydrophobicContact CG-CD2 3.84Å; F27-L117 HydrophobicContact CG-CG 4.44Å; F27-L117 HydrophobicContact CZ-CD2 4.13Å; F27-A136 HydrophobicContact CB-CB 4.29Å; F27-S137 PolarHBondContact N-O 3.46Å; F27-V138 HydrophobicContact CD1-CB 4.38Å; F27-V138 HydrophobicContact CD1-CG2 3.95Å
28V98.4Very high88.2Confident5 Ų551.4 Ų51.43%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-111.8128.3178.1-61.40000110V26 L32 K33 M42 G87 E88 Y90V26-V28 HydrophobicContact CG1-CG1 4.21Å; V28-L32 HydrophobicContact CB-CB 4.05Å; V28-L32 HydrophobicContact CG1-CB 3.95Å; V28-L32 HydrophobicContact CG1-CD1 4.1Å; V28-L32 HydrophobicContact CG2-CB 4.49Å; V28-K33 HydrophobicContact CG2-CG 4.06Å; V28-K33 WeakPolarHBondContact O-CG 3.4Å; V28-M42 HydrophobicContact CG1-CE 4.38Å; V28-G87 CarbonylContact O-C 3.21Å; V28-G87 VanDerWaalsContact O-CA 3.23Å; V28-G87 WeakPolarHBondContact O-CA 3.23Å; V28-E88 HydrophobicContact CG2-CB 3.91Å; V28-E88 PolarHBondContact N-O 2.91Å; V28-E88 PolarHBondContact O-N 3.05Å; V28-Y90 HydrophobicContact CG2-CD2 3.74Å; V28-Y90 HydrophobicContact CG2-CE2 3.55Å
29Y98.1Very high90.2Very high13 Ų1345.6 Ų45.65%0.05126%0.26CS..  trans-115.5-19.9-177.757.6-94.8000113.2F27 K33 L64 P73 L75 V85 V138 Y139F27-Y29 HydrophobicContact CE1-CD1 4.45Å; Y29-K33 WeakPolarHBondContact O-CD 3.32Å; Y29-K33 WeakPolarHBondContact O-CE 3.48Å; Y29-K33 PolarHBondContact O-NZ 2.97Å; Y29-L64 HydrophobicContact CD2-CD1 3.58Å; Y29-L64 HydrophobicContact CD2-CD2 4.39Å; Y29-L64 HydrophobicContact CE2-CD1 3.67Å; Y29-P73 HydrophobicContact CE2-CB 4.49Å; Y29-L75 HydrophobicContact CD1-CB 4.32Å; Y29-L75 HydrophobicContact CD1-CD2 4.09Å; Y29-L75 HydrophobicContact CD2-CB 4.45Å; Y29-L75 HydrophobicContact CE1-CB 3.61Å; Y29-L75 HydrophobicContact CE1-CD2 3.86Å; Y29-L75 HydrophobicContact CE1-CG 4.32Å; Y29-L75 HydrophobicContact CE2-CB 3.77Å; Y29-L75 VanDerWaalsContact OH-CB 3.26Å; Y29-L75 WeakPolarHBondContact OH-CB 3.38Å; Y29-L75 PolarHBondContact OH-N 3.45Å; Y29-L75 VanDerWaalsContact OH-N 3.12Å; Y29-V85 HydrophobicContact CG-CG1 4.35Å; Y29-V138 HydrophobicContact CD1-CG2 3.64Å; Y29-V138 HydrophobicContact CE1-CG2 3.53Å; Y29-Y139 VanDerWaalsContact CE1-O 3.24Å; Y29-Y139 WeakPolarHBondContact CE1-O 3.24Å; Y29-Y139 PolarHBondContact OH-O 3.02Å
30G96.8Very high92.4Very high7 Ų744.7 Ų44.77%0.07225%0.253CS..SBendtrans-110.4-132.5-169.300000113.6L32 K33 Y157G30-L32 PolarHBondContact O-N 3.47Å; G30-L32 VanDerWaalsContact O-N 3.09Å; G30-K33 PolarHBondContact O-N 2.83Å; G30-Y157 VanDerWaalsContact C-CD1 3.49Å
31S96.3Very high94.5Very high11 Ų1144.1 Ų44.18%0.07724%0.238CC..THydrogen-bonded Turntrans-64.8-14.2-17256.90000115.8Q36 N38 H39S31-Q36 CarbonylContact O-C 3.46Å; S31-Q36 WeakPolarHBondContact O-CB 3.5Å; S31-N38 WeakPolarHBondContact CB-ND2 3.07Å; S31-N38 CarbonylContact O-C 3.51Å; S31-N38 WeakPolarHBondContact O-CA 3.24Å; S31-N38 WeakPolarHBondContact O-CB 3.48Å; S31-N38 PolarHBondContact O-N 2.8Å; S31-N38 PolarHBondContact OG-ND2 3.06Å; S31-H39 PolarHBondContact O-N 3Å
32L97.6Very high95.9Very high5 Ų540.7 Ų40.73%0.02622%0.217CC..THydrogen-bonded Turntrans-87.1-13.1-178.8-67.6169000113.7V28 G30 N38 H39 M42 L100 F103V28-L32 HydrophobicContact CB-CB 4.05Å; V28-L32 HydrophobicContact CG1-CB 3.95Å; V28-L32 HydrophobicContact CG1-CD1 4.1Å; V28-L32 HydrophobicContact CG2-CB 4.49Å; G30-L32 PolarHBondContact O-N 3.47Å; G30-L32 VanDerWaalsContact O-N 3.09Å; L32-N38 HydrophobicContact CD2-CB 3.86Å; L32-N38 HydrophobicContact CG-CB 4.49Å; L32-H39 PolarHBondContact O-ND1 3.27Å; L32-M42 HydrophobicContact CB-CG 4.16Å; L32-M42 HydrophobicContact CB-SD 4.21Å; L32-M42 HydrophobicContact CD1-SD 4.35Å; L32-M42 HydrophobicContact CD2-CG 4.09Å; L32-M42 HydrophobicContact CD2-SD 4.05Å; L32-M42 HydrophobicContact CG-SD 4.44Å; L32-L100 HydrophobicContact CD1-CD2 3.89Å; L32-L100 HydrophobicContact CD2-CD2 4.45Å; L32-F103 HydrophobicContact CD2-CE1 4.35Å
33K97.8Very high96.6Very high12 Ų1237.8 Ų37.85%0.05221%0.212CC..SBendtrans-61.6158.3177.2-68.8-172.5-53.9-166.30112V28 Y29 G30 G35 Q36 H39 E88 N156 Y157V28-K33 HydrophobicContact CG2-CG 4.06Å; V28-K33 WeakPolarHBondContact O-CG 3.4Å; Y29-K33 WeakPolarHBondContact O-CD 3.32Å; Y29-K33 WeakPolarHBondContact O-CE 3.48Å; Y29-K33 PolarHBondContact O-NZ 2.97Å; G30-K33 PolarHBondContact O-N 2.83Å; K33-G35 PolarHBondContact O-N 2.82Å; K33-Q36 HydrophobicContact CB-CB 4.48Å; K33-Q36 HydrophobicContact CB-CG 3.91Å; K33-Q36 VanDerWaalsContact O-CB 3.26Å; K33-Q36 WeakPolarHBondContact O-CB 3.49Å; K33-Q36 PolarHBondContact O-N 3.01Å; K33-H39 WeakPolarHBondContact O-CB 3.38Å; K33-E88 WeakPolarHBondContact CA-OE2 3.4Å; K33-E88 HydrophobicContact CB-CG 4.46Å; K33-E88 HydrophobicContact CD-CG 4.43Å; K33-E88 HydrophobicContact CG-CG 4.18Å; K33-N156 PolarHBondContact NZ-OD1 3.18Å; K33-Y157 WeakPolarHBondContact CE-O 3.36Å; K33-Y157 PolarHBondContact NZ-O 3.14Å
34R96.8Very high96.8Very high124 Ų12436.5 Ų36.547%0.46821%0.207SC..THydrogen-bonded Turntrans-53.2138.6172.1-71167.2173.6-177.4-5.2111.2Q36 H39 E88 Y90R34-Q36 PolarHBondContact O-N 2.92Å; R34-H39 VanDerWaalsContact CG-CE1 3.44Å; R34-H39 WeakPolarHBondContact CG-CE1 3.39Å; R34-E88 WeakPolarHBondContact CB-OE1 3.39Å; R34-E88 PolarHBondContact N-OE1 3.3Å; R34-E88 PolarHBondContact N-OE2 3.17Å; R34-Y90 WeakPolarHBondContact CG-OH 3.4Å
35G95Very high96.7Very high71 Ų7138 Ų3873%0.73222%0.224SC*.THydrogen-bonded Turntrans74-1-177.700000115.1K33K33-G35 PolarHBondContact O-N 2.82Å
36Q96.9Very high96.7Very high19 Ų1941.7 Ų41.79%0.08924%0.242CC..SBendtrans-97159.5176.7-61.7-61.2-46.800112.2S31 K33 R34 N38 H39 Y157 D158S31-Q36 CarbonylContact O-C 3.46Å; S31-Q36 WeakPolarHBondContact O-CB 3.5Å; K33-Q36 HydrophobicContact CB-CB 4.48Å; K33-Q36 HydrophobicContact CB-CG 3.91Å; K33-Q36 VanDerWaalsContact O-CB 3.26Å; K33-Q36 WeakPolarHBondContact O-CB 3.49Å; K33-Q36 PolarHBondContact O-N 3.01Å; R34-Q36 PolarHBondContact O-N 2.92Å; Q36-N38 VanDerWaalsContact C-N 3.31Å; Q36-N38 PolarHBondContact O-N 3.05Å; Q36-N38 VanDerWaalsContact O-N 3.14Å; Q36-H39 VanDerWaalsContact O-CB 3.32Å; Q36-H39 WeakPolarHBondContact O-CB 3.49Å; Q36-H39 PolarHBondContact O-N 2.9Å; Q36-H39 VanDerWaalsContact O-N 3.08Å; Q36-Y157 HydrophobicContact CG-CE1 4.42Å; Q36-D158 PolarHBondContact NE2-OD1 2.98Å
37P93.9Very high96.6Very high42 Ų4242.7 Ų42.727%0.27325%0.248SC..THydrogen-bonded Turntrans-60.6-30.7-165.2-27.435.9000116F167 L169P37-F167 HydrophobicContact CB-CD1 3.95Å; P37-F167 HydrophobicContact CB-CE1 4.45Å; P37-F167 HydrophobicContact CG-CB 4.08Å; P37-F167 HydrophobicContact CG-CD1 4.04Å; P37-F167 HydrophobicContact CG-CG 4.27Å; P37-L169 HydrophobicContact CB-CD2 3.71Å
38N96.3Very high96.5Very high6 Ų643 Ų433%0.03225%0.251CS..THydrogen-bonded Turntrans-97.64.3-178.2-68.7-31.8000113S31 L32 Q36 P40 Y41 F103 F167S31-N38 WeakPolarHBondContact CB-ND2 3.07Å; S31-N38 CarbonylContact O-C 3.51Å; S31-N38 WeakPolarHBondContact O-CA 3.24Å; S31-N38 WeakPolarHBondContact O-CB 3.48Å; S31-N38 PolarHBondContact O-N 2.8Å; S31-N38 PolarHBondContact OG-ND2 3.06Å; L32-N38 HydrophobicContact CD2-CB 3.86Å; L32-N38 HydrophobicContact CG-CB 4.49Å; Q36-N38 VanDerWaalsContact C-N 3.31Å; Q36-N38 PolarHBondContact O-N 3.05Å; Q36-N38 VanDerWaalsContact O-N 3.14Å; N38-P40 VanDerWaalsContact C-N 3.29Å; N38-Y41 HydrophobicContact CB-CD2 3.96Å; N38-Y41 HydrophobicContact CB-CE2 4.4Å; N38-Y41 WeakPolarHBondContact O-CD2 3.03Å; N38-Y41 PolarHBondContact O-N 2.88Å; N38-F103 HydrophobicContact CB-CZ 4.33Å; N38-F167 WeakPolarHBondContact ND2-CZ 3.22Å
39H97.1Very high96.4Very high34 Ų3449.7 Ų49.716%0.15728%0.28CS..Hα-helixtrans-54.2-35.9176.4-167.158.9000114.8S31 L32 K33 R34 Q36 Y41 M42 Y90S31-H39 PolarHBondContact O-N 3Å; L32-H39 PolarHBondContact O-ND1 3.27Å; K33-H39 WeakPolarHBondContact O-CB 3.38Å; R34-H39 VanDerWaalsContact CG-CE1 3.44Å; R34-H39 WeakPolarHBondContact CG-CE1 3.39Å; Q36-H39 VanDerWaalsContact O-CB 3.32Å; Q36-H39 WeakPolarHBondContact O-CB 3.49Å; Q36-H39 PolarHBondContact O-N 2.9Å; Q36-H39 VanDerWaalsContact O-N 3.08Å; H39-Y41 PolarHBondContact O-N 3.34Å; H39-Y41 VanDerWaalsContact O-N 3.07Å; H39-M42 WeakPolarHBondContact O-CB 3.46Å; H39-M42 PolarHBondContact O-N 2.81Å; H39-Y90 PolarHBondContact CE1-OH 2.92Å
40P96.7Very high96.3Very high80 Ų8050.5 Ų50.552%0.51929%0.289SS..Hα-helixtrans-54-31178.2-29.937.8000114.3N38 M42 T43 D44N38-P40 VanDerWaalsContact C-N 3.29Å; P40-M42 VanDerWaalsContact C-N 3.29Å; P40-M42 PolarHBondContact O-N 3.1Å; P40-T43 PolarHBondContact O-N 2.98Å; P40-T43 PolarHBondContact O-OG1 2.8Å; P40-D44 PolarHBondContact O-N 2.8Å; P40-D44 VanDerWaalsContact O-N 3.08Å
41Y96.4Very high96.2Very high80 Ų8054.4 Ų54.431%0.31431%0.306SS..Hα-helixtrans-66.4-28.9176.8-65.4-67.3000113.4N38 H39 T43 N47 F99 F103N38-Y41 HydrophobicContact CB-CD2 3.96Å; N38-Y41 HydrophobicContact CB-CE2 4.4Å; N38-Y41 WeakPolarHBondContact O-CD2 3.03Å; N38-Y41 PolarHBondContact O-N 2.88Å; H39-Y41 PolarHBondContact O-N 3.34Å; H39-Y41 VanDerWaalsContact O-N 3.07Å; Y41-T43 VanDerWaalsContact C-N 3.31Å; Y41-N47 PolarHBondContact O-ND2 2.81Å; Y41-F99 HydrophobicContact CD1-CE1 4.47Å; Y41-F99 AromaticContact CD1-CZ 3.72Å; Y41-F99 HydrophobicContact CD1-CZ 3.72Å; Y41-F99 HydrophobicContact CG-CE1 4.4Å; Y41-F99 HydrophobicContact CG-CZ 4.04Å; Y41-F103 AromaticContact CD2-CE2 3.91Å; Y41-F103 HydrophobicContact CD2-CE2 3.91Å; Y41-F103 AromaticContact CD2-CZ 3.97Å; Y41-F103 HydrophobicContact CD2-CZ 3.97Å; Y41-F103 AromaticContact CE2-CE2 3.73Å; Y41-F103 HydrophobicContact CE2-CE2 3.73Å; Y41-F103 AromaticContact CE2-CZ 3.95Å; Y41-F103 HydrophobicContact CE2-CZ 3.95Å; Y41-F103 HydrophobicContact CG-CE2 4.41Å
42M97.1Very high96.2Very high3 Ų355.1 Ų55.12%0.01531%0.307CS..Hα-helixtrans-71.6-28.2175.7-61.3-65.5-69.100111.8V28 L32 H39 P40 A50 Y90 M96 L100V28-M42 HydrophobicContact CG1-CE 4.38Å; L32-M42 HydrophobicContact CB-CG 4.16Å; L32-M42 HydrophobicContact CB-SD 4.21Å; L32-M42 HydrophobicContact CD1-SD 4.35Å; L32-M42 HydrophobicContact CD2-CG 4.09Å; L32-M42 HydrophobicContact CD2-SD 4.05Å; L32-M42 HydrophobicContact CG-SD 4.44Å; H39-M42 WeakPolarHBondContact O-CB 3.46Å; H39-M42 PolarHBondContact O-N 2.81Å; P40-M42 VanDerWaalsContact C-N 3.29Å; P40-M42 PolarHBondContact O-N 3.1Å; M42-A50 HydrophobicContact CE-CB 4.05Å; M42-A50 WeakPolarHBondContact O-CB 3.46Å; M42-Y90 HydrophobicContact CE-CD1 3.99Å; M42-Y90 HydrophobicContact CE-CD2 3.86Å; M42-Y90 HydrophobicContact CE-CE1 4.42Å; M42-Y90 HydrophobicContact CE-CE2 4.3Å; M42-Y90 HydrophobicContact CE-CG 3.69Å; M42-M96 WeakPolarHBondContact O-CE 3.28Å; M42-L100 HydrophobicContact SD-CD1 4.4Å; M42-L100 HydrophobicContact SD-CD2 3.89Å
43T95.9Very high96.1Very high97 Ų9755.1 Ų55.160%0.59531%0.307SS*.Hα-helixtrans-98.4-9.6-176.755.80000113.8P40 Y41 S45P40-T43 PolarHBondContact O-N 2.98Å; P40-T43 PolarHBondContact O-OG1 2.8Å; Y41-T43 VanDerWaalsContact C-N 3.31Å; T43-S45 PolarHBondContact O-N 2.89Å
44D96.4Very high96Very high57 Ų5754.5 Ų54.531%0.30531%0.305SS..  trans-75.4111.2178.8-175-5.4000111P40 N46 N47P40-D44 PolarHBondContact O-N 2.8Å; P40-D44 VanDerWaalsContact O-N 3.08Å; D44-N46 PolarHBondContact O-N 3.49Å; D44-N46 VanDerWaalsContact OD1-CB 3.27Å; D44-N46 WeakPolarHBondContact OD1-CB 3.23Å; D44-N46 PolarHBondContact OD1-N 3.38Å; D44-N46 PolarHBondContact OD1-ND2 2.67Å; D44-N47 WeakPolarHBondContact O-CB 3.47Å; D44-N47 PolarHBondContact O-N 3.28Å
45S93.8Very high96Very high95 Ų9550.9 Ų50.966%0.66430%0.296SS*.THydrogen-bonded Turntrans-58-19.1177.561.70000114.5T43 N47 G48T43-S45 PolarHBondContact O-N 2.89Å; S45-N47 VanDerWaalsContact C-N 3.26Å; S45-N47 PolarHBondContact O-N 3.49Å; S45-G48 PolarHBondContact O-N 2.8Å
46N96.8Very high96.2Very high113 Ų11347.6 Ų47.660%0.60426%0.262SS*.THydrogen-bonded Turntrans-69.6-25.9173.8-63.9-52.9000112.3D44 K95D44-N46 PolarHBondContact O-N 3.49Å; D44-N46 VanDerWaalsContact OD1-CB 3.27Å; D44-N46 WeakPolarHBondContact OD1-CB 3.23Å; D44-N46 PolarHBondContact OD1-N 3.38Å; D44-N46 PolarHBondContact OD1-ND2 2.67Å; N46-K95 WeakPolarHBondContact O-CE 3.09Å; N46-K95 PolarHBondContact O-NZ 3.36Å
47N96.5Very high96.2Very high22 Ų2247.2 Ų47.212%0.11826%0.261CS..THydrogen-bonded Turntrans-85.7-19.9178.9-61.4-24.9000112.1Y41 D44 S45 K95 M96 F99Y41-N47 PolarHBondContact O-ND2 2.81Å; D44-N47 WeakPolarHBondContact O-CB 3.47Å; D44-N47 PolarHBondContact O-N 3.28Å; S45-N47 VanDerWaalsContact C-N 3.26Å; S45-N47 PolarHBondContact O-N 3.49Å; N47-K95 CarbonylContact O-C 3.55Å; N47-K95 WeakPolarHBondContact O-CG 3.24Å; N47-M96 HydrophobicContact CB-CE 3.8Å; N47-M96 HydrophobicContact CB-SD 4.2Å; N47-M96 WeakPolarHBondContact O-CA 3.4Å; N47-M96 PolarHBondContact O-N 2.99Å; N47-M96 VanDerWaalsContact O-N 3.1Å; N47-F99 HydrophobicContact CB-CB 4.2Å; N47-F99 HydrophobicContact CB-CD1 3.85Å; N47-F99 HydrophobicContact CB-CD2 4.02Å; N47-F99 HydrophobicContact CB-CE1 4.27Å; N47-F99 HydrophobicContact CB-CE2 4.4Å; N47-F99 HydrophobicContact CB-CG 3.72Å; N47-F99 WeakPolarHBondContact ND2-CZ 3.01Å; N47-F99 WeakPolarHBondContact OD1-CD2 3.14Å; N47-F99 WeakPolarHBondContact OD1-CE2 3.46Å
48G95.8Very high96.5Very high8 Ų845.2 Ų45.28%0.08225%0.248CC..  trans131.1-160.7-176.600000111S45 D93S45-G48 PolarHBondContact O-N 2.8Å; G48-D93 WeakPolarHBondContact CA-OD1 3.49Å
49K96.3Very high96.6Very high145 Ų14547 Ų4763%0.6326%0.259SS*.  trans-106.3133.9176.5-64.6-178.7-178.21790110.4V92 D93 M96K49-V92 VanDerWaalsContact O-CA 3.23Å; K49-V92 WeakPolarHBondContact O-CA 3.28Å; K49-D93 HydrophobicContact CB-CB 4.4Å; K49-D93 PolarHBondContact N-OD1 3.39Å; K49-D93 PolarHBondContact N-OD2 2.8Å; K49-D93 PolarHBondContact O-N 2.82Å; K49-M96 WeakPolarHBondContact O-CB 3.37Å
50A96.7Very high96.6Very high30 Ų3049.8 Ų49.825%0.24827%0.272CS..EExtended strand (participates in β ladder)trans-132119.9166.300000109.6M42 Y90 Q91 V92 M96M42-A50 HydrophobicContact CE-CB 4.05Å; M42-A50 WeakPolarHBondContact O-CB 3.46Å; A50-Y90 HydrophobicContact CB-CD1 4.11Å; A50-Q91 CarbonylContact C-O 3.01Å; A50-Q91 WeakPolarHBondContact CA-O 3.35Å; A50-V92 HydrophobicContact CB-CG1 3.83Å; A50-M96 HydrophobicContact CB-CE 4.14Å; A50-M96 HydrophobicContact CB-CG 4.24Å
51E95.1Very high96.7Very high89 Ų8951 Ų5142%0.41627%0.27SS..EExtended strand (participates in β ladder)trans-108.6127177-179161.5-162.100109.4L53 Y90 Q91E51-L53 PolarHBondContact O-N 2.64Å; E51-Y90 CarbonylContact O-C 3.54Å; E51-Y90 WeakPolarHBondContact O-CA 3.24Å; E51-Q91 PolarHBondContact N-O 3.12Å; E51-Q91 PolarHBondContact O-N 2.87Å
52F95.6Very high96.8Very high26 Ų2648.2 Ų48.211%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-72.1127177173.7-96.5000109.7G54 T55 E88 Y90 D123F52-G54 VanDerWaalsContact CE2-O 3.31Å; F52-G54 WeakPolarHBondContact CE2-O 3.25Å; F52-G54 VanDerWaalsContact CZ-CA 3.45Å; F52-T55 HydrophobicContact CE2-CG2 4.47Å; F52-T55 HydrophobicContact CZ-CG2 4.05Å; F52-E88 HydrophobicContact CD2-CB 4.34Å; F52-E88 HydrophobicContact CE2-CB 3.95Å; F52-E88 HydrophobicContact CE2-CG 3.95Å; F52-Y90 HydrophobicContact CB-CD1 4.15Å; F52-Y90 HydrophobicContact CB-CE1 3.75Å; F52-Y90 HydrophobicContact CD2-CE1 4.16Å; F52-Y90 HydrophobicContact CD2-CE2 4.2Å; F52-Y90 AromaticContact CD2-CZ 3.81Å; F52-Y90 HydrophobicContact CG-CE1 4.48Å; F52-D123 HydrophobicContact CD1-CB 4.28Å
53L95.2Very high96.9Very high4 Ų448.2 Ų48.22%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-101-27.6178.4-59.6-177.6000112.7E51 I89 Q91 D123 E126 L128E51-L53 PolarHBondContact O-N 2.64Å; L53-I89 HydrophobicContact CB-CB 4.31Å; L53-I89 HydrophobicContact CB-CG2 4.09Å; L53-I89 HydrophobicContact CD1-CG2 3.82Å; L53-I89 HydrophobicContact CG-CG2 4.37Å; L53-I89 PolarHBondContact N-O 3.43Å; L53-Q91 HydrophobicContact CD1-CB 3.81Å; L53-Q91 HydrophobicContact CD2-CB 3.86Å; L53-Q91 HydrophobicContact CG-CB 3.9Å; L53-D123 PolarHBondContact O-N 3.19Å; L53-E126 HydrophobicContact CD2-CB 4.27Å; L53-E126 HydrophobicContact CD2-CG 3.59Å; L53-L128 HydrophobicContact CB-CD1 3.59Å; L53-L128 HydrophobicContact CD1-CD1 4.38Å
54G95.6Very high97Very high0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans159.5179.1-174.500000114.5F52 E88 I89 M121F52-G54 VanDerWaalsContact CE2-O 3.31Å; F52-G54 WeakPolarHBondContact CE2-O 3.25Å; F52-G54 VanDerWaalsContact CZ-CA 3.45Å; G54-E88 WeakPolarHBondContact O-CA 3.5Å; G54-I89 PolarHBondContact O-N 3.16Å; G54-M121 CarbonylContact C-O 3.57Å; G54-M121 WeakPolarHBondContact CA-O 3.26Å
55T97.3Very high97.1Very high47 Ų4740.9 Ų40.929%0.28822%0.216SC..EExtended strand (participates in β ladder)trans-100.3147.1169.965.50000110.1F52 G87 K120 M121F52-T55 HydrophobicContact CE2-CG2 4.47Å; F52-T55 HydrophobicContact CZ-CG2 4.05Å; T55-G87 WeakPolarHBondContact CA-O 3.06Å; T55-K120 PolarHBondContact O-N 2.69Å; T55-M121 PolarHBondContact N-O 3.44Å; T55-M121 PolarHBondContact O-N 3.28Å; T55-M121 WeakPolarHBondContact OG1-CB 3.08Å; T55-M121 PolarHBondContact OG1-N 3.02Å
56A97.9Very high97.2Very high3 Ų337 Ų373%0.02519%0.187CC..EExtended strand (participates in β ladder)trans-148.7170.3179.300000111.2F27 G87 I89 L117 E118F27-A56 HydrophobicContact CE2-CB 4.31Å; A56-G87 PolarHBondContact N-O 2.89Å; A56-G87 PolarHBondContact O-N 2.94Å; A56-I89 HydrophobicContact CB-CD1 3.44Å; A56-I89 VanDerWaalsContact CB-CD1 3.44Å; A56-I89 HydrophobicContact CB-CG1 3.84Å; A56-L117 HydrophobicContact CB-CB 4.06Å; A56-E118 VanDerWaalsContact CA-O 3.32Å; A56-E118 WeakPolarHBondContact CA-O 3.28Å; A56-E118 WeakPolarHBondContact CB-O 3.2Å
57V98.6Very high97Very high11 Ų1132 Ų327%0.06716%0.162CC..EExtended strand (participates in β ladder)trans-131.5143.6173.369.10000109.2V59 R84 V85 Q86 L117 E118 K120V57-V59 PolarHBondContact O-N 2.91Å; V57-R84 VanDerWaalsContact CG1-NH2 3.3Å; V57-R84 HydrophobicContact CG2-CB 3.63Å; V57-V85 CarbonylContact C-O 3.55Å; V57-V85 VanDerWaalsContact CA-O 3.25Å; V57-V85 WeakPolarHBondContact CA-O 3.41Å; V57-V85 WeakPolarHBondContact CG2-O 3.35Å; V57-Q86 HydrophobicContact CG2-CG 4.15Å; V57-L117 WeakPolarHBondContact O-CA 3.47Å; V57-E118 HydrophobicContact CG1-CB 4.08Å; V57-E118 PolarHBondContact N-O 3.05Å; V57-E118 PolarHBondContact O-N 2.83Å; V57-K120 HydrophobicContact CG1-CD 4.35Å; V57-K120 HydrophobicContact CG1-CG 4.25Å
58T98.6Very high96.8Very high0 Ų033.3 Ų33.30%017%0.171CC..EExtended strand (participates in β ladder)trans-57.8139.1175.562.80000111.1F27 Q60 Y62 R84 V85 L117F27-T58 HydrophobicContact CE1-CG2 3.89Å; F27-T58 HydrophobicContact CZ-CG2 4.32Å; T58-Q60 VanDerWaalsContact CB-O 3.24Å; T58-Q60 WeakPolarHBondContact CB-O 3.49Å; T58-Q60 PolarHBondContact OG1-O 2.86Å; T58-Y62 HydrophobicContact CG2-CD2 4.12Å; T58-Y62 HydrophobicContact CG2-CE2 4.34Å; T58-R84 PolarHBondContact O-NE 3.42Å; T58-R84 PolarHBondContact O-NH2 3.01Å; T58-R84 VanDerWaalsContact O-NH2 3.12Å; T58-V85 HydrophobicContact CG2-CB 4.1Å; T58-V85 PolarHBondContact N-O 2.81Å; T58-V85 PolarHBondContact OG1-N 2.79Å; T58-L117 HydrophobicContact CG2-CD2 3.96Å
59V98.4Very high96.4Very high42 Ų4240.1 Ų40.126%0.25521%0.205SC..SBendtrans-67.5-53.1173.4173.50000109.3V57 R84 E116 E118 I133V57-V59 PolarHBondContact O-N 2.91Å; V59-R84 PolarHBondContact O-NE 3.25Å; V59-E116 HydrophobicContact CB-CB 4.03Å; V59-E116 HydrophobicContact CG2-CB 3.85Å; V59-E116 PolarHBondContact N-O 2.98Å; V59-E118 HydrophobicContact CG2-CB 4.38Å; V59-I133 HydrophobicContact CG2-CD1 4.18Å; V59-I133 HydrophobicContact CG2-CG1 4.23Å; V59-I133 HydrophobicContact CG2-CG2 4.15Å
60Q98.3Very high96.2Very high93 Ų9336.4 Ų36.444%0.43519%0.188SC..SBendtrans-75.4154.6173-65.2-62.6-20.800111.5T58 Y62T58-Q60 VanDerWaalsContact CB-O 3.24Å; T58-Q60 WeakPolarHBondContact CB-O 3.49Å; T58-Q60 PolarHBondContact OG1-O 2.86Å; Q60-Y62 HydrophobicContact CB-CD2 4.47Å; Q60-Y62 HydrophobicContact CB-CE2 3.7Å; Q60-Y62 WeakPolarHBondContact O-CD2 3.37Å
61K98.6Very high96Very high107 Ų10736.8 Ų36.847%0.46519%0.186SC..  trans-78.8143.6170-63.9175.7172.9-171.60110.2P79 G80 Q81 G82 N83 R84K61-P79 CarbonylContact O-C 3.55Å; K61-P79 WeakPolarHBondContact O-CA 3.39Å; K61-G80 PolarHBondContact O-N 2.72Å; K61-Q81 CarbonylContact C-O 3.56Å; K61-Q81 VanDerWaalsContact CB-O 3.24Å; K61-Q81 WeakPolarHBondContact CB-O 3.31Å; K61-G82 WeakPolarHBondContact CD-O 3.49Å; K61-N83 CarbonylContact C-O 3.58Å; K61-N83 VanDerWaalsContact CA-O 3.23Å; K61-N83 WeakPolarHBondContact CA-O 3.49Å; K61-R84 HydrophobicContact CG-CG 4.07Å
62Y98.5Very high96Very high21 Ų2133 Ų338%0.08217%0.168CC..BIsolated β-bridgetrans-136.5147.7170.6-66.3-87.1000111T58 Q60 L64 L75 P79 Q81 N83 V115T58-Y62 HydrophobicContact CG2-CD2 4.12Å; T58-Y62 HydrophobicContact CG2-CE2 4.34Å; Q60-Y62 HydrophobicContact CB-CD2 4.47Å; Q60-Y62 HydrophobicContact CB-CE2 3.7Å; Q60-Y62 WeakPolarHBondContact O-CD2 3.37Å; Y62-L64 PolarHBondContact O-N 3.34Å; Y62-L75 VanDerWaalsContact CB-CD1 3.49Å; Y62-L75 HydrophobicContact CG-CD1 4.23Å; Y62-L75 HydrophobicContact CG-CG 4.45Å; Y62-P79 HydrophobicContact CE1-CB 3.76Å; Y62-Q81 CarbonylContact C-O 3.57Å; Y62-Q81 WeakPolarHBondContact CA-O 3.49Å; Y62-Q81 PolarHBondContact N-O 2.94Å; Y62-N83 PolarHBondContact N-O 3.2Å; Y62-N83 PolarHBondContact O-N 3.37Å; Y62-N83 VanDerWaalsContact O-N 3.1Å; Y62-V115 HydrophobicContact CE2-CG1 4.27Å
63P98.4Very high96Very high3 Ų332 Ų322%0.01916%0.164CC..  trans-72.1106.3166.2-1530.8000109.6V65 L76 L78 Q81 T153P63-V65 HydrophobicContact CB-CG1 4.41Å; P63-L76 HydrophobicContact CB-CB 4.16Å; P63-L76 HydrophobicContact CB-CD1 4.11Å; P63-L76 HydrophobicContact CB-CG 4.18Å; P63-L76 HydrophobicContact CG-CB 4.34Å; P63-L76 PolarHBondContact O-N 3.32Å; P63-L78 WeakPolarHBondContact CD-O 3.27Å; P63-L78 HydrophobicContact CG-CB 3.98Å; P63-L78 HydrophobicContact CG-CD1 4.28Å; P63-Q81 WeakPolarHBondContact CD-O 3.26Å; P63-Q81 HydrophobicContact CG-CB 3.77Å; P63-T153 HydrophobicContact CB-CG2 3.9Å
64L98.4Very high96.1Very high0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-95.3111.4164.6167.761.9000108Y29 Y62 P73 F74 L75 V85 T153 Y154Y29-L64 HydrophobicContact CD2-CD1 3.58Å; Y29-L64 HydrophobicContact CD2-CD2 4.39Å; Y29-L64 HydrophobicContact CE2-CD1 3.67Å; Y62-L64 PolarHBondContact O-N 3.34Å; L64-P73 HydrophobicContact CD1-CB 4.03Å; L64-F74 WeakPolarHBondContact CA-O 3.41Å; L64-L75 HydrophobicContact CB-CD1 4.15Å; L64-V85 HydrophobicContact CB-CG1 4.45Å; L64-V85 HydrophobicContact CB-CG2 3.9Å; L64-V85 HydrophobicContact CD2-CG1 3.67Å; L64-V85 HydrophobicContact CD2-CG2 4.48Å; L64-T153 CarbonylContact O-C 3.55Å; L64-T153 VanDerWaalsContact O-CA 3.3Å; L64-T153 WeakPolarHBondContact O-CA 3.37Å; L64-Y154 WeakPolarHBondContact CB-O 3.19Å; L64-Y154 WeakPolarHBondContact O-CD2 3.45Å; L64-Y154 PolarHBondContact O-N 2.89Å
65V97.9Very high96.2Very high0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-116.2152.8-176-58.60000110.5P63 A67 P73 F74 L76 W148 L151 T153P63-V65 HydrophobicContact CB-CG1 4.41Å; V65-A67 HydrophobicContact CG2-CB 4.46Å; V65-P73 CarbonylContact O-C 3.41Å; V65-P73 WeakPolarHBondContact O-CA 3.34Å; V65-F74 HydrophobicContact CG2-CB 4.09Å; V65-F74 PolarHBondContact N-O 2.78Å; V65-F74 PolarHBondContact O-N 2.84Å; V65-L76 HydrophobicContact CG1-CD1 4.38Å; V65-L76 HydrophobicContact CG2-CD1 4.33Å; V65-L76 HydrophobicContact CG2-CD2 4.02Å; V65-L76 HydrophobicContact CG2-CG 4.17Å; V65-W148 HydrophobicContact CG2-CE3 4.41Å; V65-L151 HydrophobicContact CB-CB 4.11Å; V65-L151 HydrophobicContact CB-CD1 4.24Å; V65-L151 HydrophobicContact CG1-CB 3.98Å; V65-L151 HydrophobicContact CG2-CD1 4.37Å; V65-T153 HydrophobicContact CG1-CG2 4.27Å
66I96.8Very high96.3Very high12 Ų1229.7 Ų29.76%0.06215%0.15CC..EExtended strand (participates in β ladder)trans-101.9119.9168.9-60.4173.9000107N71 Y154 Y157 H163 L165I66-N71 HydrophobicContact CG2-CB 3.85Å; I66-Y154 HydrophobicContact CB-CE2 4.22Å; I66-Y154 HydrophobicContact CD1-CD2 4.16Å; I66-Y154 HydrophobicContact CD1-CE2 3.77Å; I66-Y154 HydrophobicContact CG1-CD2 4Å; I66-Y154 HydrophobicContact CG1-CE2 3.74Å; I66-Y157 HydrophobicContact CD1-CD2 4.1Å; I66-Y157 HydrophobicContact CD1-CE2 4.24Å; I66-Y157 HydrophobicContact CG1-CD2 4.16Å; I66-Y157 HydrophobicContact CG1-CE2 4.33Å; I66-H163 VanDerWaalsContact CD1-CE1 3.46Å; I66-H163 WeakPolarHBondContact CD1-CE1 3.18Å; I66-H163 VanDerWaalsContact CD1-NE2 3.33Å; I66-H163 WeakPolarHBondContact CD1-NE2 3.42Å; I66-L165 HydrophobicContact CB-CD1 4.07Å; I66-L165 HydrophobicContact CG2-CB 4Å; I66-L165 HydrophobicContact CG2-CD1 3.8Å
67A93.6Very high96.3Very high8 Ų832 Ų327%0.06616%0.162CC..EExtended strand (participates in β ladder)trans-140.7177.6-17200000112.7V65 N71 M72 F74 W148 L151V65-A67 HydrophobicContact CG2-CB 4.46Å; A67-N71 PolarHBondContact O-N 2.78Å; A67-M72 PolarHBondContact N-O 2.82Å; A67-M72 PolarHBondContact O-N 3.46Å; A67-F74 HydrophobicContact CB-CD2 3.89Å; A67-F74 HydrophobicContact CB-CE2 4.1Å; A67-W148 HydrophobicContact CB-CD2 3.76Å; A67-W148 VanDerWaalsContact CB-CE2 3.45Å; A67-W148 HydrophobicContact CB-CE3 4.1Å; A67-W148 HydrophobicContact CB-CG 4.39Å; A67-W148 HydrophobicContact CB-CH2 3.96Å; A67-W148 HydrophobicContact CB-CZ2 3.57Å; A67-W148 HydrophobicContact CB-CZ3 4.21Å; A67-L151 HydrophobicContact CB-CD1 3.99Å
68T90.9Very high96.2Very high51 Ų5133.1 Ų33.131%0.31317%0.167SC..THydrogen-bonded Turntrans65168-173.277.10000113.8Y70 N71 F74 W148T68-Y70 PolarHBondContact O-N 2.78Å; T68-Y70 PolarHBondContact OG1-N 2.85Å; T68-N71 PolarHBondContact O-N 2.85Å; T68-F74 HydrophobicContact CG2-CE2 3.75Å; T68-F74 HydrophobicContact CG2-CZ 3.88Å; T68-W148 HydrophobicContact CG2-CH2 3.94Å; T68-W148 HydrophobicContact CG2-CZ2 3.74Å
69N88.7Confident96.2Very high150 Ų15036.7 Ų36.780%0.80219%0.19SC*.THydrogen-bonded Turntrans-65.9-6.1174.3-62.6-24.1000113.5
70Y90.9Very high96.1Very high67 Ų6736.9 Ų36.926%0.26320%0.201SC..THydrogen-bonded Turntrans-106.64.7-178.1-50.7-55.7000113.1T68 M72 M168 R173T68-Y70 PolarHBondContact O-N 2.78Å; T68-Y70 PolarHBondContact OG1-N 2.85Å; Y70-M72 VanDerWaalsContact C-N 3.27Å; Y70-M72 PolarHBondContact O-N 3.44Å; Y70-M168 HydrophobicContact CD1-CB 4.21Å; Y70-M168 HydrophobicContact CD1-CG 4.27Å; Y70-M168 HydrophobicContact CD1-SD 3.65Å; Y70-M168 HydrophobicContact CE1-SD 4.07Å; Y70-M168 PolarHBondContact O-N 3.03Å; Y70-R173 HydrophobicContact CD1-CB 4.4Å; Y70-R173 HydrophobicContact CD1-CG 3.64Å; Y70-R173 HydrophobicContact CE1-CB 3.81Å; Y70-R173 HydrophobicContact CE1-CG 3.55Å; Y70-R173 HydrophobicContact CG-CG 4.2Å
71N93.6Very high96.1Very high39 Ų3937.2 Ų37.221%0.20920%0.203CC..THydrogen-bonded Turntrans52.244.7179.8-56.8-40.5000112.7I66 A67 T68 L165 K166I66-N71 HydrophobicContact CG2-CB 3.85Å; A67-N71 PolarHBondContact O-N 2.78Å; T68-N71 PolarHBondContact O-N 2.85Å; N71-L165 HydrophobicContact CB-CB 4.1Å; N71-K166 WeakPolarHBondContact CB-O 3.39Å; N71-K166 PolarHBondContact ND2-O 2.87Å
72M93.4Very high96.1Very high8 Ų833.5 Ų33.54%0.03919%0.194CC..EExtended strand (participates in β ladder)trans-80.1137.5179.9-71-179.359.200110.2A67 Y70 F74 M109 F167 R173A67-M72 PolarHBondContact N-O 2.82Å; A67-M72 PolarHBondContact O-N 3.46Å; Y70-M72 VanDerWaalsContact C-N 3.27Å; Y70-M72 PolarHBondContact O-N 3.44Å; M72-F74 HydrophobicContact CB-CD2 4.28Å; M72-F74 HydrophobicContact CB-CE2 3.52Å; M72-F74 HydrophobicContact CB-CZ 3.96Å; M72-F74 HydrophobicContact CE-CZ 4.28Å; M72-F74 WeakPolarHBondContact O-CD2 3.23Å; M72-F74 WeakPolarHBondContact O-CE2 3.41Å; M72-M109 HydrophobicContact CE-CE 3.77Å; M72-M109 HydrophobicContact CE-SD 4.16Å; M72-M109 HydrophobicContact SD-CE 4.03Å; M72-F167 HydrophobicContact CB-CE2 4.28Å; M72-F167 HydrophobicContact CG-CD2 4.43Å; M72-F167 HydrophobicContact CG-CE2 3.73Å; M72-F167 HydrophobicContact CG-CZ 4.3Å; M72-R173 PolarHBondContact SD-NH1 2.92Å; M72-R173 VanDerWaalsContact SD-NH1 3.44Å; M72-R173 PolarHBondContact SD-NH2 2.82Å
73P96.4Very high96.1Very high5 Ų535 Ų353%0.03220%0.204CC..EExtended strand (participates in β ladder)trans-76.5129172.429.2-31.2000110.7Y29 L64 V65 Y110 Y157Y29-P73 HydrophobicContact CE2-CB 4.49Å; L64-P73 HydrophobicContact CD1-CB 4.03Å; V65-P73 CarbonylContact O-C 3.41Å; V65-P73 WeakPolarHBondContact O-CA 3.34Å; P73-Y110 PolarHBondContact O-OH 3.33Å; P73-Y157 HydrophobicContact CB-CD1 4.36Å; P73-Y157 HydrophobicContact CB-CD2 3.58Å; P73-Y157 HydrophobicContact CB-CE2 3.8Å; P73-Y157 HydrophobicContact CB-CG 3.86Å; P73-Y157 HydrophobicContact CG-CD1 4.12Å; P73-Y157 HydrophobicContact CG-CD2 4Å; P73-Y157 HydrophobicContact CG-CE1 3.95Å; P73-Y157 HydrophobicContact CG-CE2 3.81Å; P73-Y157 HydrophobicContact CG-CG 4.12Å
74F97.6Very high96.1Very high3 Ų338.9 Ų38.91%0.01322%0.218CC..EExtended strand (participates in β ladder)trans-122.3127.4174.3-66.3-93.4000110.6L64 V65 A67 T68 M72 L76 M109 Y110 T141 W148L64-F74 WeakPolarHBondContact CA-O 3.41Å; V65-F74 HydrophobicContact CG2-CB 4.09Å; V65-F74 PolarHBondContact N-O 2.78Å; V65-F74 PolarHBondContact O-N 2.84Å; A67-F74 HydrophobicContact CB-CD2 3.89Å; A67-F74 HydrophobicContact CB-CE2 4.1Å; T68-F74 HydrophobicContact CG2-CE2 3.75Å; T68-F74 HydrophobicContact CG2-CZ 3.88Å; M72-F74 HydrophobicContact CB-CD2 4.28Å; M72-F74 HydrophobicContact CB-CE2 3.52Å; M72-F74 HydrophobicContact CB-CZ 3.96Å; M72-F74 HydrophobicContact CE-CZ 4.28Å; M72-F74 WeakPolarHBondContact O-CD2 3.23Å; M72-F74 WeakPolarHBondContact O-CE2 3.41Å; F74-L76 HydrophobicContact CB-CD2 4.14Å; F74-M109 HydrophobicContact CE1-CE 3.96Å; F74-M109 HydrophobicContact CE1-CG 4.25Å; F74-M109 HydrophobicContact CZ-CE 3.79Å; F74-Y110 AromaticContact CD1-CE1 3.6Å; F74-Y110 HydrophobicContact CD1-CE1 3.6Å; F74-Y110 HydrophobicContact CD1-CE2 4.31Å; F74-Y110 AromaticContact CD1-CZ 3.42Å; F74-Y110 VanDerWaalsContact CD1-CZ 3.42Å; F74-Y110 WeakPolarHBondContact CD1-OH 3.48Å; F74-Y110 HydrophobicContact CE1-CE1 4.2Å; F74-Y110 HydrophobicContact CE1-CE2 4.09Å; F74-Y110 AromaticContact CE1-CZ 3.61Å; F74-Y110 VanDerWaalsContact CE1-OH 3.28Å; F74-Y110 WeakPolarHBondContact CE1-OH 3.43Å; F74-Y110 HydrophobicContact CG-CE1 4.41Å; F74-T141 HydrophobicContact CB-CG2 4.16Å; F74-T141 HydrophobicContact CD1-CG2 3.97Å; F74-W148 HydrophobicContact CB-CE3 4.34Å; F74-W148 HydrophobicContact CB-CZ3 3.94Å; F74-W148 AromaticContact CD1-CH2 3.98Å; F74-W148 HydrophobicContact CD1-CH2 3.98Å; F74-W148 AromaticContact CD1-CZ3 3.53Å; F74-W148 HydrophobicContact CD1-CZ3 3.53Å; F74-W148 HydrophobicContact CD2-CE3 4.34Å; F74-W148 AromaticContact CD2-CH2 3.69Å; F74-W148 HydrophobicContact CD2-CH2 3.69Å; F74-W148 AromaticContact CD2-CZ3 3.52Å; F74-W148 HydrophobicContact CD2-CZ3 3.52Å; F74-W148 AromaticContact CE1-CH2 3.78Å; F74-W148 HydrophobicContact CE1-CH2 3.78Å; F74-W148 AromaticContact CE1-CZ3 3.82Å; F74-W148 HydrophobicContact CE1-CZ3 3.82Å; F74-W148 AromaticContact CE2-CH2 3.47Å; F74-W148 HydrophobicContact CE2-CH2 3.47Å; F74-W148 VanDerWaalsContact CE2-CH2 3.47Å; F74-W148 HydrophobicContact CE2-CZ2 4.33Å; F74-W148 AromaticContact CE2-CZ3 3.81Å; F74-W148 HydrophobicContact CE2-CZ3 3.81Å; F74-W148 HydrophobicContact CG-CE3 4.21Å; F74-W148 AromaticContact CG-CH2 3.94Å; F74-W148 HydrophobicContact CG-CH2 3.94Å; F74-W148 AromaticContact CG-CZ3 3.37Å; F74-W148 HydrophobicContact CG-CZ3 3.37Å; F74-W148 AromaticContact CZ-CH2 3.52Å; F74-W148 HydrophobicContact CZ-CH2 3.52Å; F74-W148 AromaticContact CZ-CZ3 3.96Å; F74-W148 HydrophobicContact CZ-CZ3 3.96Å
75L98.3Very high96.1Very high0 Ų038.9 Ų38.90%022%0.218CC..EExtended strand (participates in β ladder)trans-88.6106.5166.4-168.574.3000109.3Y29 Y62 L64 V85 V138 S140 T141Y29-L75 HydrophobicContact CD1-CB 4.32Å; Y29-L75 HydrophobicContact CD1-CD2 4.09Å; Y29-L75 HydrophobicContact CD2-CB 4.45Å; Y29-L75 HydrophobicContact CE1-CB 3.61Å; Y29-L75 HydrophobicContact CE1-CD2 3.86Å; Y29-L75 HydrophobicContact CE1-CG 4.32Å; Y29-L75 HydrophobicContact CE2-CB 3.77Å; Y29-L75 VanDerWaalsContact OH-CB 3.26Å; Y29-L75 WeakPolarHBondContact OH-CB 3.38Å; Y29-L75 PolarHBondContact OH-N 3.45Å; Y29-L75 VanDerWaalsContact OH-N 3.12Å; Y62-L75 VanDerWaalsContact CB-CD1 3.49Å; Y62-L75 HydrophobicContact CG-CD1 4.23Å; Y62-L75 HydrophobicContact CG-CG 4.45Å; L64-L75 HydrophobicContact CB-CD1 4.15Å; L75-V85 HydrophobicContact CD1-CB 4.32Å; L75-V85 HydrophobicContact CD1-CG1 4.38Å; L75-V85 HydrophobicContact CD1-CG2 3.74Å; L75-V138 HydrophobicContact CD2-CG1 4.36Å; L75-V138 HydrophobicContact CD2-CG2 3.76Å; L75-S140 CarbonylContact O-C 3.18Å; L75-S140 WeakPolarHBondContact O-CA 3.38Å; L75-T141 PolarHBondContact O-N 3.28Å
76L98.3Very high96.1Very high0 Ų042.7 Ų42.70%024%0.236CC..BIsolated β-bridgetrans-74131.7177.4-48.2-171.1000109P63 V65 F74 L78 T141 Y144 W148 P149P63-L76 HydrophobicContact CB-CB 4.16Å; P63-L76 HydrophobicContact CB-CD1 4.11Å; P63-L76 HydrophobicContact CB-CG 4.18Å; P63-L76 HydrophobicContact CG-CB 4.34Å; P63-L76 PolarHBondContact O-N 3.32Å; V65-L76 HydrophobicContact CG1-CD1 4.38Å; V65-L76 HydrophobicContact CG2-CD1 4.33Å; V65-L76 HydrophobicContact CG2-CD2 4.02Å; V65-L76 HydrophobicContact CG2-CG 4.17Å; F74-L76 HydrophobicContact CB-CD2 4.14Å; L76-L78 HydrophobicContact CB-CD1 4.23Å; L76-L78 HydrophobicContact CB-CG 4.34Å; L76-L78 HydrophobicContact CD1-CD1 4.39Å; L76-L78 PolarHBondContact O-N 2.71Å; L76-T141 HydrophobicContact CD2-CG2 3.81Å; L76-Y144 HydrophobicContact CB-CD1 4.49Å; L76-Y144 HydrophobicContact CB-CE1 4.28Å; L76-Y144 HydrophobicContact CD2-CD1 3.81Å; L76-Y144 HydrophobicContact CD2-CE1 4.42Å; L76-Y144 HydrophobicContact CD2-CG 4.04Å; L76-W148 HydrophobicContact CD1-CB 4.2Å; L76-W148 HydrophobicContact CD2-CE3 3.93Å; L76-P149 HydrophobicContact CD1-CB 4.49Å; L76-P149 HydrophobicContact CD1-CG 4.18Å
77N97.7Very high96.2Very high52 Ų5242.4 Ų42.428%0.27824%0.236SC..SBendtrans-77.367.3178.2-169.911000111T141 T142N77-T141 PolarHBondContact N-O 2.62Å; N77-T142 HydrophobicContact CB-CG2 3.8Å
78L97.6Very high96.4Very high34 Ų3443 Ų4318%0.17824%0.238CC..  trans-126.872179.4-68.4176000108.5P63 L76 G80 Q81 Y144 P149P63-L78 WeakPolarHBondContact CD-O 3.27Å; P63-L78 HydrophobicContact CG-CB 3.98Å; P63-L78 HydrophobicContact CG-CD1 4.28Å; L76-L78 HydrophobicContact CB-CD1 4.23Å; L76-L78 HydrophobicContact CB-CG 4.34Å; L76-L78 HydrophobicContact CD1-CD1 4.39Å; L76-L78 PolarHBondContact O-N 2.71Å; L78-G80 PolarHBondContact O-N 3.06Å; L78-Q81 HydrophobicContact CB-CB 4.49Å; L78-Q81 PolarHBondContact O-N 2.79Å; L78-Y144 WeakPolarHBondContact CD2-OH 3.46Å; L78-P149 HydrophobicContact CD1-CB 4.23Å; L78-P149 HydrophobicContact CD1-CG 4.17Å
79P97.4Very high96.7Very high75 Ų7540.6 Ų40.649%0.48722%0.223SC..THydrogen-bonded Turntrans-58.9139.7-175.524.7-34.3000111.5K61 Y62K61-P79 CarbonylContact O-C 3.55Å; K61-P79 WeakPolarHBondContact O-CA 3.39Å; Y62-P79 HydrophobicContact CE1-CB 3.76Å
80G97.9Very high97.1Very high46 Ų4633.8 Ų33.847%0.47419%0.186SC..THydrogen-bonded Turntrans90.9-8.4-178.300000114.7K61 L78K61-G80 PolarHBondContact O-N 2.72Å; L78-G80 PolarHBondContact O-N 3.06Å
81Q97.4Very high97.4Very high101 Ų10133.1 Ų33.147%0.47219%0.185SC..SBendtrans-105.2159.5178.6-58.9-174.746.200112K61 Y62 P63 L78K61-Q81 CarbonylContact C-O 3.56Å; K61-Q81 VanDerWaalsContact CB-O 3.24Å; K61-Q81 WeakPolarHBondContact CB-O 3.31Å; Y62-Q81 CarbonylContact C-O 3.57Å; Y62-Q81 WeakPolarHBondContact CA-O 3.49Å; Y62-Q81 PolarHBondContact N-O 2.94Å; P63-Q81 WeakPolarHBondContact CD-O 3.26Å; P63-Q81 HydrophobicContact CG-CB 3.77Å; L78-Q81 HydrophobicContact CB-CB 4.49Å; L78-Q81 PolarHBondContact O-N 2.79Å
82G97.6Very high97.5Very high28 Ų2831.3 Ų31.329%0.28918%0.175SC..SBendtrans71.7-131.7178.400000113.4K61K61-G82 WeakPolarHBondContact CD-O 3.49Å
83N98.3Very high97.7Very high54 Ų5431.9 Ų31.929%0.28918%0.178SC..BIsolated β-bridgetrans-122.8163.6-171.6-63.8-55.3000111.9K61 Y62 V85 T153 D155K61-N83 CarbonylContact C-O 3.58Å; K61-N83 VanDerWaalsContact CA-O 3.23Å; K61-N83 WeakPolarHBondContact CA-O 3.49Å; Y62-N83 PolarHBondContact N-O 3.2Å; Y62-N83 PolarHBondContact O-N 3.37Å; Y62-N83 VanDerWaalsContact O-N 3.1Å; N83-V85 PolarHBondContact O-N 3.36Å; N83-T153 PolarHBondContact ND2-O 3.47Å; N83-T153 PolarHBondContact ND2-OG1 2.96Å; N83-D155 HydrophobicContact CB-CB 3.86Å
84R98.5Very high97.7Very high83 Ų8332.8 Ų32.831%0.31319%0.189SC..PPolyproline II helixtrans-73.8121.2163.2-63.4-17567.5-163.73.6107.6V57 T58 V59 K61 E118V57-R84 VanDerWaalsContact CG1-NH2 3.3Å; V57-R84 HydrophobicContact CG2-CB 3.63Å; T58-R84 PolarHBondContact O-NE 3.42Å; T58-R84 PolarHBondContact O-NH2 3.01Å; T58-R84 VanDerWaalsContact O-NH2 3.12Å; V59-R84 PolarHBondContact O-NE 3.25Å; K61-R84 HydrophobicContact CG-CG 4.07Å; R84-E118 IonicContact CZ-OE2 3.23Å; R84-E118 VanDerWaalsContact CZ-OE2 3.23Å; R84-E118 IonicContact NH1-OE2 2.86Å; R84-E118 PolarHBondContact NH1-OE2 2.85Å; R84-E118 IonicContact NH2-OE2 2.68Å; R84-E118 PolarHBondContact NH2-OE2 3.27Å
85V98.6Very high97.7Very high0 Ų038 Ų380%021%0.212CC..PPolyproline II helixtrans-94126.4-168.5179.50000110.5Y29 V57 T58 L64 L75 N83 D155Y29-V85 HydrophobicContact CG-CG1 4.35Å; V57-V85 CarbonylContact C-O 3.55Å; V57-V85 VanDerWaalsContact CA-O 3.25Å; V57-V85 WeakPolarHBondContact CA-O 3.41Å; V57-V85 WeakPolarHBondContact CG2-O 3.35Å; T58-V85 HydrophobicContact CG2-CB 4.1Å; T58-V85 PolarHBondContact N-O 2.81Å; T58-V85 PolarHBondContact OG1-N 2.79Å; L64-V85 HydrophobicContact CB-CG1 4.45Å; L64-V85 HydrophobicContact CB-CG2 3.9Å; L64-V85 HydrophobicContact CD2-CG1 3.67Å; L64-V85 HydrophobicContact CD2-CG2 4.48Å; L75-V85 HydrophobicContact CD1-CB 4.32Å; L75-V85 HydrophobicContact CD1-CG1 4.38Å; L75-V85 HydrophobicContact CD1-CG2 3.74Å; N83-V85 PolarHBondContact O-N 3.36Å; V85-D155 CarbonylContact C-O 3.56Å; V85-D155 WeakPolarHBondContact CA-O 3.37Å
86Q98.6Very high97.6Very high81 Ų8138 Ų3838%0.37921%0.212SC..EExtended strand (participates in β ladder)trans-84.2141.1178.4-55.4-175.841.400110.8V57 D155 N156V57-Q86 HydrophobicContact CG2-CG 4.15Å; Q86-D155 PolarHBondContact N-O 3.08Å; Q86-D155 PolarHBondContact NE2-OD2 3.36Å; Q86-D155 VanDerWaalsContact NE2-OD2 3.16Å; Q86-N156 HydrophobicContact CB-CB 4.16Å; Q86-N156 HydrophobicContact CG-CB 4.41Å
87G98.4Very high97.6Very high6 Ų638.7 Ų38.76%0.06222%0.215CC..EExtended strand (participates in β ladder)trans-169.7-163.9178.800000113.5F27 V28 T55 A56F27-G87 VanDerWaalsContact CE2-C 3.49Å; F27-G87 VanDerWaalsContact CE2-CA 3.42Å; V28-G87 CarbonylContact O-C 3.21Å; V28-G87 VanDerWaalsContact O-CA 3.23Å; V28-G87 WeakPolarHBondContact O-CA 3.23Å; T55-G87 WeakPolarHBondContact CA-O 3.06Å; A56-G87 PolarHBondContact N-O 2.89Å; A56-G87 PolarHBondContact O-N 2.94Å
88E98.3Very high97.6Very high21 Ų2143 Ų4310%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-123.1142.7-174.3-61.4178.6168.100109.9F27 V28 K33 R34 F52 G54 Y90F27-E88 WeakPolarHBondContact CA-O 3.42Å; F27-E88 WeakPolarHBondContact CD2-O 3.41Å; V28-E88 HydrophobicContact CG2-CB 3.91Å; V28-E88 PolarHBondContact N-O 2.91Å; V28-E88 PolarHBondContact O-N 3.05Å; K33-E88 WeakPolarHBondContact CA-OE2 3.4Å; K33-E88 HydrophobicContact CB-CG 4.46Å; K33-E88 HydrophobicContact CD-CG 4.43Å; K33-E88 HydrophobicContact CG-CG 4.18Å; R34-E88 WeakPolarHBondContact CB-OE1 3.39Å; R34-E88 PolarHBondContact N-OE1 3.3Å; R34-E88 PolarHBondContact N-OE2 3.17Å; F52-E88 HydrophobicContact CD2-CB 4.34Å; F52-E88 HydrophobicContact CE2-CB 3.95Å; F52-E88 HydrophobicContact CE2-CG 3.95Å; G54-E88 WeakPolarHBondContact O-CA 3.5Å; E88-Y90 HydrophobicContact CB-CD2 4.22Å; E88-Y90 HydrophobicContact CB-CE2 3.57Å; E88-Y90 VanDerWaalsContact OE2-CE2 3.28Å; E88-Y90 WeakPolarHBondContact OE2-CE2 3.34Å; E88-Y90 PolarHBondContact OE2-OH 3.1Å
89I97.5Very high97.5Very high0 Ų043.6 Ų43.60%024%0.235CC..EExtended strand (participates in β ladder)trans-101.4129.7174.9-57.5168.3000107.9F27 L53 G54 A56 L117 I119 M134F27-I89 HydrophobicContact CD2-CG1 4.19Å; L53-I89 HydrophobicContact CB-CB 4.31Å; L53-I89 HydrophobicContact CB-CG2 4.09Å; L53-I89 HydrophobicContact CD1-CG2 3.82Å; L53-I89 HydrophobicContact CG-CG2 4.37Å; L53-I89 PolarHBondContact N-O 3.43Å; G54-I89 PolarHBondContact O-N 3.16Å; A56-I89 HydrophobicContact CB-CD1 3.44Å; A56-I89 VanDerWaalsContact CB-CD1 3.44Å; A56-I89 HydrophobicContact CB-CG1 3.84Å; I89-L117 HydrophobicContact CD1-CD1 4.1Å; I89-L117 HydrophobicContact CG1-CD1 3.97Å; I89-I119 HydrophobicContact CD1-CG1 4.36Å; I89-M134 HydrophobicContact CD1-CG 4.37Å; I89-M134 HydrophobicContact CD1-SD 3.71Å; I89-M134 HydrophobicContact CG2-SD 4.41Å
90Y97.1Very high97.5Very high7 Ų740 Ų403%0.02721%0.212CC..EExtended strand (participates in β ladder)trans-120.4140.2171.9-70.9-97.1000110.6C25 V26 V28 R34 H39 M42 A50 E51 F52 E88C25-Y90 CarbonylContact C-O 3.46Å; C25-Y90 WeakPolarHBondContact CA-O 3.38Å; V26-Y90 PolarHBondContact N-O 2.76Å; V26-Y90 PolarHBondContact O-N 3.19Å; V28-Y90 HydrophobicContact CG2-CD2 3.74Å; V28-Y90 HydrophobicContact CG2-CE2 3.55Å; R34-Y90 WeakPolarHBondContact CG-OH 3.4Å; H39-Y90 PolarHBondContact CE1-OH 2.92Å; M42-Y90 HydrophobicContact CE-CD1 3.99Å; M42-Y90 HydrophobicContact CE-CD2 3.86Å; M42-Y90 HydrophobicContact CE-CE1 4.42Å; M42-Y90 HydrophobicContact CE-CE2 4.3Å; M42-Y90 HydrophobicContact CE-CG 3.69Å; A50-Y90 HydrophobicContact CB-CD1 4.11Å; E51-Y90 CarbonylContact O-C 3.54Å; E51-Y90 WeakPolarHBondContact O-CA 3.24Å; F52-Y90 HydrophobicContact CB-CD1 4.15Å; F52-Y90 HydrophobicContact CB-CE1 3.75Å; F52-Y90 HydrophobicContact CD2-CE1 4.16Å; F52-Y90 HydrophobicContact CD2-CE2 4.2Å; F52-Y90 AromaticContact CD2-CZ 3.81Å; F52-Y90 HydrophobicContact CG-CE1 4.48Å; E88-Y90 HydrophobicContact CB-CD2 4.22Å; E88-Y90 HydrophobicContact CB-CE2 3.57Å; E88-Y90 VanDerWaalsContact OE2-CE2 3.28Å; E88-Y90 WeakPolarHBondContact OE2-CE2 3.34Å; E88-Y90 PolarHBondContact OE2-OH 3.1Å
91Q96.3Very high97.5Very high53 Ų5339.4 Ų39.425%0.24820%0.198CC..EExtended strand (participates in β ladder)trans-90.3121.7162-171.6170.860.900108.5M23 H24 A50 E51 L53M23-Q91 HydrophobicContact CB-CG 3.63Å; M23-Q91 HydrophobicContact CG-CG 4.11Å; M23-Q91 HydrophobicContact SD-CG 4.41Å; H24-Q91 CarbonylContact O-C 3.52Å; H24-Q91 WeakPolarHBondContact O-CA 3.39Å; A50-Q91 CarbonylContact C-O 3.01Å; A50-Q91 WeakPolarHBondContact CA-O 3.35Å; E51-Q91 PolarHBondContact N-O 3.12Å; E51-Q91 PolarHBondContact O-N 2.87Å; L53-Q91 HydrophobicContact CD1-CB 3.81Å; L53-Q91 HydrophobicContact CD2-CB 3.86Å; L53-Q91 HydrophobicContact CG-CB 3.9Å
92V97Very high97.5Very high0 Ų038.9 Ų38.90%021%0.205CC..EExtended strand (participates in β ladder)trans-122.6146.5-176-53.70000111.6M23 H24 V26 K49 A50 M96 L97M23-V92 CarbonylContact C-O 3.57Å; M23-V92 WeakPolarHBondContact CA-O 3.24Å; H24-V92 HydrophobicContact CB-CG2 3.94Å; H24-V92 PolarHBondContact N-O 2.86Å; H24-V92 PolarHBondContact O-N 3.12Å; V26-V92 HydrophobicContact CG2-CG2 3.7Å; K49-V92 VanDerWaalsContact O-CA 3.23Å; K49-V92 WeakPolarHBondContact O-CA 3.28Å; A50-V92 HydrophobicContact CB-CG1 3.83Å; V92-M96 HydrophobicContact CB-CB 3.95Å; V92-M96 HydrophobicContact CB-CG 3.7Å; V92-M96 HydrophobicContact CG1-CG 3.78Å; V92-M96 HydrophobicContact CG2-CG 4.47Å; V92-L97 HydrophobicContact CG2-CB 4.08Å; V92-L97 HydrophobicContact CG2-CD1 4.14Å
93D97Very high97.3Very high20 Ų2038.3 Ų38.311%0.10720%0.195CC..  trans-76.4168.417066.710.3000111.8V21 M23 G48 K49 K95 M96 L97V21-D93 HydrophobicContact CG1-CB 3.47Å; V21-D93 VanDerWaalsContact CG1-CB 3.47Å; M23-D93 HydrophobicContact SD-CB 4.07Å; G48-D93 WeakPolarHBondContact CA-OD1 3.49Å; K49-D93 HydrophobicContact CB-CB 4.4Å; K49-D93 PolarHBondContact N-OD1 3.39Å; K49-D93 PolarHBondContact N-OD2 2.8Å; K49-D93 PolarHBondContact O-N 2.82Å; D93-K95 PolarHBondContact O-N 2.88Å; D93-K95 PolarHBondContact OD1-N 2.76Å; D93-M96 PolarHBondContact O-N 3.13Å; D93-M96 VanDerWaalsContact OD1-CB 3.27Å; D93-M96 WeakPolarHBondContact OD1-CB 3.29Å; D93-M96 PolarHBondContact OD1-N 3.03Å; D93-L97 WeakPolarHBondContact O-CB 3.48Å; D93-L97 PolarHBondContact O-N 2.67Å
94G96.7Very high97.1Very high25 Ų2536.6 Ų36.626%0.25819%0.185SC..Hα-helixtrans-57.6-34.2179.400000113.5L97 E98G94-L97 PolarHBondContact O-N 2.88Å; G94-E98 WeakPolarHBondContact O-CG 3.39Å; G94-E98 PolarHBondContact O-N 2.94Å
95K96.8Very high96.9Very high113 Ų11336 Ų3649%0.49119%0.188SC..Hα-helixtrans-66.3-47.3178.8-170.1-172.1173-169.70111.5N46 N47 D93 L97 E98 F99N46-K95 WeakPolarHBondContact O-CE 3.09Å; N46-K95 PolarHBondContact O-NZ 3.36Å; N47-K95 CarbonylContact O-C 3.55Å; N47-K95 WeakPolarHBondContact O-CG 3.24Å; D93-K95 PolarHBondContact O-N 2.88Å; D93-K95 PolarHBondContact OD1-N 2.76Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 2.9Å; K95-E98 PolarHBondContact O-N 2.66Å; K95-F99 PolarHBondContact O-N 3.24Å
96M97.6Very high96.5Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-62.9-40175.3175.861.670.400110.8M42 N47 K49 A50 V92 D93 F99 L100M42-M96 WeakPolarHBondContact O-CE 3.28Å; N47-M96 HydrophobicContact CB-CE 3.8Å; N47-M96 HydrophobicContact CB-SD 4.2Å; N47-M96 WeakPolarHBondContact O-CA 3.4Å; N47-M96 PolarHBondContact O-N 2.99Å; N47-M96 VanDerWaalsContact O-N 3.1Å; K49-M96 WeakPolarHBondContact O-CB 3.37Å; A50-M96 HydrophobicContact CB-CE 4.14Å; A50-M96 HydrophobicContact CB-CG 4.24Å; V92-M96 HydrophobicContact CB-CB 3.95Å; V92-M96 HydrophobicContact CB-CG 3.7Å; V92-M96 HydrophobicContact CG1-CG 3.78Å; V92-M96 HydrophobicContact CG2-CG 4.47Å; D93-M96 PolarHBondContact O-N 3.13Å; D93-M96 VanDerWaalsContact OD1-CB 3.27Å; D93-M96 WeakPolarHBondContact OD1-CB 3.29Å; D93-M96 PolarHBondContact OD1-N 3.03Å; M96-F99 WeakPolarHBondContact O-CB 3.49Å; M96-F99 PolarHBondContact O-N 3.14Å; M96-F99 HydrophobicContact SD-CD1 4.1Å; M96-L100 HydrophobicContact CG-CD1 4.14Å; M96-L100 HydrophobicContact CG-CG 4.4Å; M96-L100 VanDerWaalsContact O-CG 3.28Å; M96-L100 WeakPolarHBondContact O-CG 3.45Å; M96-L100 PolarHBondContact O-N 3.31Å; M96-L100 HydrophobicContact SD-CD1 4.36Å; M96-L100 HydrophobicContact SD-CD2 4.48Å; M96-L100 HydrophobicContact SD-CG 4.11Å
97L97.5Very high96.2Very high13 Ų1339 Ų397%0.06821%0.211CC..Hα-helixtrans-62.3-45177.3-170.968.9000112.4H24 V26 V92 D93 G94 K95 F99 L100 D101 R112H24-L97 HydrophobicContact CB-CD1 4.42Å; H24-L97 HydrophobicContact CB-CD2 4.09Å; V26-L97 HydrophobicContact CG2-CD1 3.82Å; V92-L97 HydrophobicContact CG2-CB 4.08Å; V92-L97 HydrophobicContact CG2-CD1 4.14Å; D93-L97 WeakPolarHBondContact O-CB 3.48Å; D93-L97 PolarHBondContact O-N 2.67Å; G94-L97 PolarHBondContact O-N 2.88Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 2.9Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-L100 PolarHBondContact O-N 2.9Å; L97-D101 PolarHBondContact O-N 3.31Å; L97-R112 VanDerWaalsContact CD2-NH1 3.35Å
98E96.7Very high95.8Very high142 Ų14243.7 Ų43.766%0.66424%0.239SC*.Hα-helixtrans-62.1-41.3175-75.4174.8-171.700112G94 K95 D101 S102G94-E98 WeakPolarHBondContact O-CG 3.39Å; G94-E98 PolarHBondContact O-N 2.94Å; K95-E98 PolarHBondContact O-N 2.66Å; E98-D101 PolarHBondContact O-N 3.05Å; E98-S102 PolarHBondContact O-N 3.42Å; E98-S102 VanDerWaalsContact O-N 3.12Å
99F97.3Very high95.5Very high48 Ų4845 Ų4521%0.21125%0.246CC..Hα-helixtrans-59.3-48.1173.8168.4-93.3000111.2Y41 N47 K95 M96 L97 D101 S102 F103Y41-F99 HydrophobicContact CD1-CE1 4.47Å; Y41-F99 AromaticContact CD1-CZ 3.72Å; Y41-F99 HydrophobicContact CD1-CZ 3.72Å; Y41-F99 HydrophobicContact CG-CE1 4.4Å; Y41-F99 HydrophobicContact CG-CZ 4.04Å; N47-F99 HydrophobicContact CB-CB 4.2Å; N47-F99 HydrophobicContact CB-CD1 3.85Å; N47-F99 HydrophobicContact CB-CD2 4.02Å; N47-F99 HydrophobicContact CB-CE1 4.27Å; N47-F99 HydrophobicContact CB-CE2 4.4Å; N47-F99 HydrophobicContact CB-CG 3.72Å; N47-F99 WeakPolarHBondContact ND2-CZ 3.01Å; N47-F99 WeakPolarHBondContact OD1-CD2 3.14Å; N47-F99 WeakPolarHBondContact OD1-CE2 3.46Å; K95-F99 PolarHBondContact O-N 3.24Å; M96-F99 WeakPolarHBondContact O-CB 3.49Å; M96-F99 PolarHBondContact O-N 3.14Å; M96-F99 HydrophobicContact SD-CD1 4.1Å; L97-F99 VanDerWaalsContact C-N 3.34Å; F99-D101 VanDerWaalsContact C-N 3.34Å; F99-D101 PolarHBondContact O-N 2.8Å; F99-S102 PolarHBondContact O-N 3.45Å; F99-F103 HydrophobicContact CE1-CB 4.14Å; F99-F103 HydrophobicContact CE1-CD2 4.43Å; F99-F103 HydrophobicContact CE1-CG 4.34Å; F99-F103 HydrophobicContact CZ-CB 4.21Å; F99-F103 AromaticContact CZ-CD2 3.94Å; F99-F103 HydrophobicContact CZ-CD2 3.94Å; F99-F103 HydrophobicContact CZ-CG 4.28Å; F99-F103 VanDerWaalsContact O-CB 3.24Å; F99-F103 WeakPolarHBondContact O-CB 3.31Å; F99-F103 PolarHBondContact O-N 2.99Å
100L97.6Very high95.5Very high0 Ų045.3 Ų45.30%025%0.247CC..Hα-helixtrans-63.9-38.3-179.4-70.2173.8000112.1V26 L32 M42 M96 L97 F103 E104 Y139V26-L100 HydrophobicContact CG1-CD1 4.47Å; L32-L100 HydrophobicContact CD1-CD2 3.89Å; L32-L100 HydrophobicContact CD2-CD2 4.45Å; M42-L100 HydrophobicContact SD-CD1 4.4Å; M42-L100 HydrophobicContact SD-CD2 3.89Å; M96-L100 HydrophobicContact CG-CD1 4.14Å; M96-L100 HydrophobicContact CG-CG 4.4Å; M96-L100 VanDerWaalsContact O-CG 3.28Å; M96-L100 WeakPolarHBondContact O-CG 3.45Å; M96-L100 PolarHBondContact O-N 3.31Å; M96-L100 HydrophobicContact SD-CD1 4.36Å; M96-L100 HydrophobicContact SD-CD2 4.48Å; M96-L100 HydrophobicContact SD-CG 4.11Å; L97-L100 PolarHBondContact O-N 2.9Å; L100-F103 PolarHBondContact O-N 3.36Å; L100-E104 WeakPolarHBondContact O-CB 3.47Å; L100-E104 WeakPolarHBondContact O-CG 3.3Å; L100-E104 PolarHBondContact O-N 2.89Å; L100-Y139 HydrophobicContact CB-CE2 4.01Å; L100-Y139 WeakPolarHBondContact CB-OH 3.47Å; L100-Y139 HydrophobicContact CD1-CE2 4.45Å
101D97.3Very high95.5Very high33 Ų3346.4 Ų46.418%0.17625%0.252CS..Hα-helixtrans-62.7-43.5176.1-73.2-6.1000112.5L97 E98 F99 N105 I106 R112 Y139L97-D101 PolarHBondContact O-N 3.31Å; E98-D101 PolarHBondContact O-N 3.05Å; F99-D101 VanDerWaalsContact C-N 3.34Å; F99-D101 PolarHBondContact O-N 2.8Å; D101-N105 PolarHBondContact O-N 3.41Å; D101-I106 HydrophobicContact CB-CD1 4.45Å; D101-I106 PolarHBondContact O-N 2.98Å; D101-R112 IonicContact OD1-CZ 3.53Å; D101-R112 IonicContact OD1-NH1 2.71Å; D101-R112 PolarHBondContact OD1-NH1 2.98Å; D101-R112 IonicContact OD2-CZ 3.24Å; D101-R112 VanDerWaalsContact OD2-CZ 3.24Å; D101-R112 IonicContact OD2-NH1 2.62Å; D101-R112 PolarHBondContact OD2-NH1 2.85Å; D101-R112 IonicContact OD2-NH2 3.32Å; D101-R112 PolarHBondContact OD2-NH2 3.06Å; D101-Y139 PolarHBondContact N-OH 3.08Å; D101-Y139 WeakPolarHBondContact OD1-CE1 3.33Å; D101-Y139 PolarHBondContact OD1-OH 3.3Å
102S96.3Very high95.5Very high90 Ų9048.4 Ų48.463%0.62926%0.257SS*.Hα-helixtrans-66.7-44.5174.5-176.90000110.9E98 F99 E104 N105E98-S102 PolarHBondContact O-N 3.42Å; E98-S102 VanDerWaalsContact O-N 3.12Å; F99-S102 PolarHBondContact O-N 3.45Å; S102-E104 PolarHBondContact O-N 3.28Å; S102-N105 PolarHBondContact O-N 2.89Å; S102-N105 VanDerWaalsContact O-N 3.12Å; S102-N105 PolarHBondContact O-OD1 3.3Å
103F94.7Very high95.5Very high16 Ų1650 Ų507%0.0727%0.267CS..Hα-helixtrans-60.4-45.9179.6-176-97.3000111L32 N38 Y41 F99 L100 N105 R170L32-F103 HydrophobicContact CD2-CE1 4.35Å; N38-F103 HydrophobicContact CB-CZ 4.33Å; Y41-F103 AromaticContact CD2-CE2 3.91Å; Y41-F103 HydrophobicContact CD2-CE2 3.91Å; Y41-F103 AromaticContact CD2-CZ 3.97Å; Y41-F103 HydrophobicContact CD2-CZ 3.97Å; Y41-F103 AromaticContact CE2-CE2 3.73Å; Y41-F103 HydrophobicContact CE2-CE2 3.73Å; Y41-F103 AromaticContact CE2-CZ 3.95Å; Y41-F103 HydrophobicContact CE2-CZ 3.95Å; Y41-F103 HydrophobicContact CG-CE2 4.41Å; F99-F103 HydrophobicContact CE1-CB 4.14Å; F99-F103 HydrophobicContact CE1-CD2 4.43Å; F99-F103 HydrophobicContact CE1-CG 4.34Å; F99-F103 HydrophobicContact CZ-CB 4.21Å; F99-F103 AromaticContact CZ-CD2 3.94Å; F99-F103 HydrophobicContact CZ-CD2 3.94Å; F99-F103 HydrophobicContact CZ-CG 4.28Å; F99-F103 VanDerWaalsContact O-CB 3.24Å; F99-F103 WeakPolarHBondContact O-CB 3.31Å; F99-F103 PolarHBondContact O-N 2.99Å; L100-F103 PolarHBondContact O-N 3.36Å; F103-N105 PolarHBondContact O-N 3.12Å; F103-R170 PolarHBondContact O-NH1 2.83Å; F103-R170 PolarHBondContact O-NH2 3.32Å
104E94.4Very high95.5Very high17 Ų1751.8 Ų51.88%0.07929%0.285CS..THydrogen-bonded Turntrans-82.49.5179.4-62.2-69.6-173.100113.5L100 S102 I106 Y110 Y139L100-E104 WeakPolarHBondContact O-CB 3.47Å; L100-E104 WeakPolarHBondContact O-CG 3.3Å; L100-E104 PolarHBondContact O-N 2.89Å; S102-E104 PolarHBondContact O-N 3.28Å; E104-I106 VanDerWaalsContact C-N 3.34Å; E104-I106 PolarHBondContact O-N 3.1Å; E104-Y110 HydrophobicContact CB-CD2 4.01Å; E104-Y110 WeakPolarHBondContact O-CD2 3.4Å; E104-Y110 WeakPolarHBondContact OE2-CD2 3.38Å; E104-Y110 VanDerWaalsContact OE2-CE2 3.31Å; E104-Y110 WeakPolarHBondContact OE2-CE2 3.12Å; E104-Y139 HydrophobicContact CB-CD1 3.6Å; E104-Y139 HydrophobicContact CB-CE1 3.93Å; E104-Y139 HydrophobicContact CB-CG 4.1Å; E104-Y139 HydrophobicContact CG-CD1 3.74Å; E104-Y139 HydrophobicContact CG-CD2 4.04Å; E104-Y139 HydrophobicContact CG-CE1 4.04Å; E104-Y139 HydrophobicContact CG-CE2 4.34Å; E104-Y139 HydrophobicContact CG-CG 3.76Å
105N93.3Very high95.6Very high70 Ų7050.9 Ų50.937%0.37427%0.274SS..THydrogen-bonded Turntrans52.345.3177.4-64.4-22.6000113.5D101 S102 F103 T108 M109D101-N105 PolarHBondContact O-N 3.41Å; S102-N105 PolarHBondContact O-N 2.89Å; S102-N105 VanDerWaalsContact O-N 3.12Å; S102-N105 PolarHBondContact O-OD1 3.3Å; F103-N105 PolarHBondContact O-N 3.12Å; N105-T108 PolarHBondContact O-N 3.45Å; N105-T108 PolarHBondContact O-OG1 3.31Å; N105-M109 HydrophobicContact CB-CB 3.8Å; N105-M109 PolarHBondContact O-N 2.73Å
106I91.1Very high95.6Very high52 Ų5250.3 Ų50.327%0.26727%0.273SS..THydrogen-bonded Turntrans-64.7142.4173.4-70.1-164000110.9D101 E104 Y110 R112 Y139D101-I106 HydrophobicContact CB-CD1 4.45Å; D101-I106 PolarHBondContact O-N 2.98Å; E104-I106 VanDerWaalsContact C-N 3.34Å; E104-I106 PolarHBondContact O-N 3.1Å; I106-Y110 WeakPolarHBondContact CA-O 3.48Å; I106-R112 HydrophobicContact CD1-CB 3.54Å; I106-Y139 HydrophobicContact CD1-CD1 3.63Å; I106-Y139 HydrophobicContact CD1-CE1 3.35Å; I106-Y139 HydrophobicContact CG1-CD1 4.08Å; I106-Y139 HydrophobicContact CG1-CE1 4Å
107P90.8Very high95.7Very high94 Ų9450.3 Ų50.361%0.6127%0.273SS*.THydrogen-bonded Turncis-93.113.3-4.737.1-35.4000113.3Y110 Q111P107-Y110 CarbonylContact C-O 3.55Å; P107-Y110 VanDerWaalsContact CA-O 3.29Å; P107-Y110 WeakPolarHBondContact CA-O 3.41Å; P107-Q111 PolarHBondContact O-NE2 3.07Å
108T91.8Very high95.7Very high104 Ų10451.9 Ų51.964%0.63828%0.28SS*.THydrogen-bonded Turntrans-81.5-45.4-167.560.60000114.2N105 T143N105-T108 PolarHBondContact O-N 3.45Å; N105-T108 PolarHBondContact O-OG1 3.31Å; T108-T143 PolarHBondContact O-OG1 3.12Å
109M91.6Very high95.7Very high49 Ų4945.1 Ų45.124%0.24125%0.249CC..SBendtrans-95.5-48.4-178.4-168.5171.7-149.200110.9M72 F74 N105 T141 T143M72-M109 HydrophobicContact CE-CE 3.77Å; M72-M109 HydrophobicContact CE-SD 4.16Å; M72-M109 HydrophobicContact SD-CE 4.03Å; F74-M109 HydrophobicContact CE1-CE 3.96Å; F74-M109 HydrophobicContact CE1-CG 4.25Å; F74-M109 HydrophobicContact CZ-CE 3.79Å; N105-M109 HydrophobicContact CB-CB 3.8Å; N105-M109 PolarHBondContact O-N 2.73Å; M109-T141 WeakPolarHBondContact O-CB 3.27Å; M109-T141 PolarHBondContact O-OG1 2.93Å; M109-T143 PolarHBondContact O-OG1 3.03Å
110Y96.1Very high95.6Very high5 Ų547.1 Ų47.12%0.0226%0.257CS..  trans-122.2167.3173.1-66.9-82.8000110.7P73 F74 E104 I106 P107 S140P73-Y110 PolarHBondContact O-OH 3.33Å; F74-Y110 AromaticContact CD1-CE1 3.6Å; F74-Y110 HydrophobicContact CD1-CE1 3.6Å; F74-Y110 HydrophobicContact CD1-CE2 4.31Å; F74-Y110 AromaticContact CD1-CZ 3.42Å; F74-Y110 VanDerWaalsContact CD1-CZ 3.42Å; F74-Y110 WeakPolarHBondContact CD1-OH 3.48Å; F74-Y110 HydrophobicContact CE1-CE1 4.2Å; F74-Y110 HydrophobicContact CE1-CE2 4.09Å; F74-Y110 AromaticContact CE1-CZ 3.61Å; F74-Y110 VanDerWaalsContact CE1-OH 3.28Å; F74-Y110 WeakPolarHBondContact CE1-OH 3.43Å; F74-Y110 HydrophobicContact CG-CE1 4.41Å; E104-Y110 HydrophobicContact CB-CD2 4.01Å; E104-Y110 WeakPolarHBondContact O-CD2 3.4Å; E104-Y110 WeakPolarHBondContact OE2-CD2 3.38Å; E104-Y110 VanDerWaalsContact OE2-CE2 3.31Å; E104-Y110 WeakPolarHBondContact OE2-CE2 3.12Å; I106-Y110 WeakPolarHBondContact CA-O 3.48Å; P107-Y110 CarbonylContact C-O 3.55Å; P107-Y110 VanDerWaalsContact CA-O 3.29Å; P107-Y110 WeakPolarHBondContact CA-O 3.41Å; Y110-S140 CarbonylContact C-O 3.49Å; Y110-S140 WeakPolarHBondContact CA-O 3.41Å
111Q97.3Very high95.3Very high30 Ų3053.4 Ų53.414%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-128.9141.6168.9-60.183.751.300107.9P107 T113 S140 T142 T143P107-Q111 PolarHBondContact O-NE2 3.07Å; Q111-T113 PolarHBondContact O-N 3.02Å; Q111-S140 PolarHBondContact N-O 3.47Å; Q111-S140 PolarHBondContact O-N 2.99Å; Q111-S140 VanDerWaalsContact O-O 3.08Å; Q111-T142 PolarHBondContact OE1-OG1 2.86Å; Q111-T143 PolarHBondContact NE2-OG1 2.89Å
112R96.9Very high94.6Very high96 Ų9653.5 Ų53.536%0.36229%0.293SS..EExtended strand (participates in β ladder)trans-83.2114.4174.4-171.9168.462.7-150.4-4.1108.9L97 D101 I106 V138 Y139L97-R112 VanDerWaalsContact CD2-NH1 3.35Å; D101-R112 IonicContact OD1-CZ 3.53Å; D101-R112 IonicContact OD1-NH1 2.71Å; D101-R112 PolarHBondContact OD1-NH1 2.98Å; D101-R112 IonicContact OD2-CZ 3.24Å; D101-R112 VanDerWaalsContact OD2-CZ 3.24Å; D101-R112 IonicContact OD2-NH1 2.62Å; D101-R112 PolarHBondContact OD2-NH1 2.85Å; D101-R112 IonicContact OD2-NH2 3.32Å; D101-R112 PolarHBondContact OD2-NH2 3.06Å; I106-R112 HydrophobicContact CD1-CB 3.54Å; R112-V138 WeakPolarHBondContact CA-O 3.42Å; R112-Y139 HydrophobicContact CB-CE1 4.49Å
113T96.3Very high93.7Very high32 Ų3251.8 Ų51.820%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-120.8154.4-179.354.30000110.3Q111 S137 V138 S140Q111-T113 PolarHBondContact O-N 3.02Å; T113-S137 CarbonylContact O-C 3.57Å; T113-S137 WeakPolarHBondContact O-CA 3.47Å; T113-V138 PolarHBondContact N-O 3.4Å; T113-V138 PolarHBondContact O-N 3.02Å; T113-V138 WeakPolarHBondContact OG1-CG1 3.33Å; T113-V138 PolarHBondContact OG1-O 2.91Å; T113-S140 WeakPolarHBondContact CG2-OG 3.45Å; T113-S140 PolarHBondContact OG1-OG 2.91Å
114A97.5Very high92.3Very high58 Ų5860.4 Ų60.448%0.47932%0.318SS..EExtended strand (participates in β ladder)trans-84.5142.5171.600000110.9E135 A136A114-E135 HydrophobicContact CB-CG 3.92Å; A114-A136 WeakPolarHBondContact CA-O 3.46Å
115V97.9Very high90.8Very high6 Ų667.7 Ų67.74%0.03635%0.349CS..EExtended strand (participates in β ladder)trans-138.2147.2173.1-700000111.4Y62 L117 E135 A136 V138Y62-V115 HydrophobicContact CE2-CG1 4.27Å; V115-L117 HydrophobicContact CG2-CD2 3.87Å; V115-L117 HydrophobicContact CG2-CG 4.24Å; V115-E135 WeakPolarHBondContact O-CA 3.38Å; V115-A136 PolarHBondContact N-O 2.81Å; V115-A136 PolarHBondContact O-N 2.92Å; V115-V138 HydrophobicContact CB-CG1 4.17Å; V115-V138 HydrophobicContact CG1-CG1 3.49Å; V115-V138 VanDerWaalsContact CG1-CG1 3.49Å; V115-V138 HydrophobicContact CG2-CB 3.9Å; V115-V138 HydrophobicContact CG2-CG1 3.59Å
116E98.3Very high89.4Confident101 Ų10167.7 Ų67.747%0.47235%0.347SS..EExtended strand (participates in β ladder)trans-82.1134.3169.2-64.8-177.4128.400110.9V59 I133 M134V59-E116 HydrophobicContact CB-CB 4.03Å; V59-E116 HydrophobicContact CG2-CB 3.85Å; V59-E116 PolarHBondContact N-O 2.98Å; E116-I133 HydrophobicContact CB-CG2 4.04Å; E116-I133 HydrophobicContact CG-CG2 4.44Å; E116-M134 WeakPolarHBondContact CA-O 3.31Å
117L98.4Very high88.3Confident0 Ų075 Ų750%038%0.377CS..EExtended strand (participates in β ladder)trans-126.7132.5-175.5-58.2174.5000110.1F27 A56 V57 T58 I89 V115 I133 M134 A136F27-L117 HydrophobicContact CB-CD1 3.61Å; F27-L117 HydrophobicContact CB-CD2 4.47Å; F27-L117 HydrophobicContact CD1-CD2 3.96Å; F27-L117 HydrophobicContact CD2-CD1 3.61Å; F27-L117 HydrophobicContact CD2-CD2 3.89Å; F27-L117 HydrophobicContact CD2-CG 4.41Å; F27-L117 HydrophobicContact CE1-CD2 4.1Å; F27-L117 HydrophobicContact CE2-CD1 4.41Å; F27-L117 HydrophobicContact CE2-CD2 4.02Å; F27-L117 HydrophobicContact CG-CD1 3.69Å; F27-L117 HydrophobicContact CG-CD2 3.84Å; F27-L117 HydrophobicContact CG-CG 4.44Å; F27-L117 HydrophobicContact CZ-CD2 4.13Å; A56-L117 HydrophobicContact CB-CB 4.06Å; V57-L117 WeakPolarHBondContact O-CA 3.47Å; T58-L117 HydrophobicContact CG2-CD2 3.96Å; I89-L117 HydrophobicContact CD1-CD1 4.1Å; I89-L117 HydrophobicContact CG1-CD1 3.97Å; V115-L117 HydrophobicContact CG2-CD2 3.87Å; V115-L117 HydrophobicContact CG2-CG 4.24Å; L117-I133 CarbonylContact O-C 3.53Å; L117-I133 VanDerWaalsContact O-CA 3.24Å; L117-I133 WeakPolarHBondContact O-CA 3.45Å; L117-M134 HydrophobicContact CB-CG 4.5Å; L117-M134 PolarHBondContact N-O 2.63Å; L117-M134 PolarHBondContact O-N 3.44Å; L117-A136 HydrophobicContact CD1-CB 3.66Å
118E97.9Very high87.9Confident46 Ų4672.1 Ų72.122%0.21536%0.356CS..EExtended strand (participates in β ladder)trans-89.5118.3167.5-172.3-161.8149.900108.7A56 V57 V59 R84 K120A56-E118 VanDerWaalsContact CA-O 3.32Å; A56-E118 WeakPolarHBondContact CA-O 3.28Å; A56-E118 WeakPolarHBondContact CB-O 3.2Å; V57-E118 HydrophobicContact CG1-CB 4.08Å; V57-E118 PolarHBondContact N-O 3.05Å; V57-E118 PolarHBondContact O-N 2.83Å; V59-E118 HydrophobicContact CG2-CB 4.38Å; R84-E118 IonicContact CZ-OE2 3.23Å; R84-E118 VanDerWaalsContact CZ-OE2 3.23Å; R84-E118 IonicContact NH1-OE2 2.86Å; R84-E118 PolarHBondContact NH1-OE2 2.85Å; R84-E118 IonicContact NH2-OE2 2.68Å; R84-E118 PolarHBondContact NH2-OE2 3.27Å; E118-K120 PolarHBondContact O-N 2.78Å; E118-K120 IonicContact OE1-NZ 2.67Å; E118-K120 PolarHBondContact OE1-NZ 2.84Å; E118-K120 IonicContact OE2-NZ 3.38Å; E118-K120 PolarHBondContact OE2-NZ 3.09Å
119I96.9Very high87.6Confident1 Ų173.7 Ų73.71%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-72.1127.9-177.7-55.8176.7000109.2I89 L128 G131 S132 M134I89-I119 HydrophobicContact CD1-CG1 4.36Å; I119-L128 HydrophobicContact CD1-CB 3.83Å; I119-L128 HydrophobicContact CD1-CD1 4.07Å; I119-L128 HydrophobicContact CD1-CD2 3.71Å; I119-L128 HydrophobicContact CD1-CG 4.05Å; I119-L128 HydrophobicContact CG2-CB 4.34Å; I119-G131 PolarHBondContact O-N 2.91Å; I119-S132 WeakPolarHBondContact CD1-OG 3.44Å; I119-S132 PolarHBondContact N-O 3.12Å; I119-M134 HydrophobicContact CD1-CG 4.2Å; I119-M134 HydrophobicContact CD1-SD 3.9Å; I119-M134 HydrophobicContact CG1-CG 4.31Å; I119-M134 HydrophobicContact CG1-SD 4.32Å
120K95.5Very high87.6Confident90 Ų9074.5 Ų74.539%0.39137%0.372SS..EExtended strand (participates in β ladder)trans-99.3-44.7179.2-67-57.6-176.9-173.70112.4T55 V57 E118T55-K120 PolarHBondContact O-N 2.69Å; V57-K120 HydrophobicContact CG1-CD 4.35Å; V57-K120 HydrophobicContact CG1-CG 4.25Å; E118-K120 PolarHBondContact O-N 2.78Å; E118-K120 IonicContact OE1-NZ 2.67Å; E118-K120 PolarHBondContact OE1-NZ 2.84Å; E118-K120 IonicContact OE2-NZ 3.38Å; E118-K120 PolarHBondContact OE2-NZ 3.09Å
121M90.8Very high87.4Confident131 Ų13176.7 Ų76.765%0.64540%0.396SS*.EExtended strand (participates in β ladder)trans-137.6140.3172.2-67.2-67.1173.400108.6G54 T55G54-M121 CarbonylContact C-O 3.57Å; G54-M121 WeakPolarHBondContact CA-O 3.26Å; T55-M121 PolarHBondContact N-O 3.44Å; T55-M121 PolarHBondContact O-N 3.28Å; T55-M121 WeakPolarHBondContact OG1-CB 3.08Å; T55-M121 PolarHBondContact OG1-N 3.02Å
122A82.5Confident87.3Confident35 Ų3577.2 Ų77.229%0.28940%0.403SS..EExtended strand (participates in β ladder)trans-106.5145.7171.300000109.2L128A122-L128 HydrophobicContact CB-CB 3.59Å; A122-L128 WeakPolarHBondContact CB-O 3.36Å
123D77.8Confident87.2Confident55 Ų5577.5 Ų77.529%0.29441%0.411SS..  trans-67.5138.8163-160.4-22.9000108.7F52 L53 K125 E126F52-D123 HydrophobicContact CD1-CB 4.28Å; L53-D123 PolarHBondContact O-N 3.19Å; D123-K125 PolarHBondContact O-N 3.24Å; D123-E126 PolarHBondContact O-N 3.02Å
124E65.8Low87.2Confident197 Ų19777.8 Ų77.892%0.92141%0.411SS*.THydrogen-bonded Turntrans-60-20.7-171.9-64.8-177.3162.800113.1E126E124-E126 VanDerWaalsContact C-N 3.34Å
125K63.1Low87.2Confident169 Ų16981.5 Ų81.574%0.73542%0.418SS*.THydrogen-bonded Turntrans-77.1-20-179.1-65.1-175.7-173.7176.80113.5D123D123-K125 PolarHBondContact O-N 3.24Å
126E64.1Low87.2Confident70 Ų7081.4 Ų81.433%0.32742%0.418SS..SBendtrans-116145.3-168.2-77.8-69.3159.400112.2L53 D123 E124 L128L53-E126 HydrophobicContact CD2-CB 4.27Å; L53-E126 HydrophobicContact CD2-CG 3.59Å; D123-E126 PolarHBondContact O-N 3.02Å; E124-E126 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.07Å
127K67Low87.2Confident207 Ų20778.3 Ų78.390%0.941%0.407SS*.  trans-75.628.1-176.9-67.8-178-179.8174.40113.2
128L81.8Confident87.2Confident33 Ų3378.3 Ų78.317%0.17341%0.407CS..  trans-76.4130.6171.7-68.1-167.5000108.6L53 I119 A122 E126 M134L53-L128 HydrophobicContact CB-CD1 3.59Å; L53-L128 HydrophobicContact CD1-CD1 4.38Å; I119-L128 HydrophobicContact CD1-CB 3.83Å; I119-L128 HydrophobicContact CD1-CD1 4.07Å; I119-L128 HydrophobicContact CD1-CD2 3.71Å; I119-L128 HydrophobicContact CD1-CG 4.05Å; I119-L128 HydrophobicContact CG2-CB 4.34Å; A122-L128 HydrophobicContact CB-CB 3.59Å; A122-L128 WeakPolarHBondContact CB-O 3.36Å; E126-L128 PolarHBondContact O-N 3.07Å; L128-M134 HydrophobicContact CD1-SD 4.13Å; L128-M134 HydrophobicContact CD2-CE 4.1Å; L128-M134 HydrophobicContact CD2-SD 3.73Å
129M86.4Confident87.2Confident137 Ų13776.4 Ų76.468%0.67540%0.398SS*.  trans-104.6125.1179-177.7177.1-74.800108.9G131 S132M129-G131 PolarHBondContact O-N 2.99Å; M129-S132 WeakPolarHBondContact O-CB 3.34Å; M129-S132 PolarHBondContact O-N 3.26Å; M129-S132 PolarHBondContact O-OG 3.29Å
130A90.8Very high87.3Confident66 Ų6676.4 Ų76.455%0.54540%0.399SS..THydrogen-bonded Turntrans-55130.8172.700000110.3S132A130-S132 VanDerWaalsContact C-N 3.35Å
131G92.4Very high87.3Confident50 Ų5072.1 Ų72.152%0.51538%0.38SS..THydrogen-bonded Turntrans86.7-10.7-175.400000115.3I119 M129I119-G131 PolarHBondContact O-N 2.91Å; M129-G131 PolarHBondContact O-N 2.99Å
132S94.4Very high87.6Confident42 Ų4269.7 Ų69.729%0.29437%0.373SS..  trans-75.2157.4171.775.20000111.3I119 M129 A130I119-S132 WeakPolarHBondContact CD1-OG 3.44Å; I119-S132 PolarHBondContact N-O 3.12Å; M129-S132 WeakPolarHBondContact O-CB 3.34Å; M129-S132 PolarHBondContact O-N 3.26Å; M129-S132 PolarHBondContact O-OG 3.29Å; A130-S132 VanDerWaalsContact C-N 3.35Å
133I96.6Very high88.1Confident102 Ų10271.5 Ų71.552%0.52338%0.38SS..EExtended strand (participates in β ladder)trans-100.8139175-62.4174.3000109.1V59 E116 L117V59-I133 HydrophobicContact CG2-CD1 4.18Å; V59-I133 HydrophobicContact CG2-CG1 4.23Å; V59-I133 HydrophobicContact CG2-CG2 4.15Å; E116-I133 HydrophobicContact CB-CG2 4.04Å; E116-I133 HydrophobicContact CG-CG2 4.44Å; L117-I133 CarbonylContact O-C 3.53Å; L117-I133 VanDerWaalsContact O-CA 3.24Å; L117-I133 WeakPolarHBondContact O-CA 3.45Å
134M95.8Very high88.9Confident38 Ų3872.2 Ų72.219%0.18738%0.379CS..EExtended strand (participates in β ladder)trans-137.9158.9169.374178.7-5500111.7C25 I89 E116 L117 I119 L128C25-M134 HydrophobicContact CB-CE 4.33Å; I89-M134 HydrophobicContact CD1-CG 4.37Å; I89-M134 HydrophobicContact CD1-SD 3.71Å; I89-M134 HydrophobicContact CG2-SD 4.41Å; E116-M134 WeakPolarHBondContact CA-O 3.31Å; L117-M134 HydrophobicContact CB-CG 4.5Å; L117-M134 PolarHBondContact N-O 2.63Å; L117-M134 PolarHBondContact O-N 3.44Å; I119-M134 HydrophobicContact CD1-CG 4.2Å; I119-M134 HydrophobicContact CD1-SD 3.9Å; I119-M134 HydrophobicContact CG1-CG 4.31Å; I119-M134 HydrophobicContact CG1-SD 4.32Å; L128-M134 HydrophobicContact CD1-SD 4.13Å; L128-M134 HydrophobicContact CD2-CE 4.1Å; L128-M134 HydrophobicContact CD2-SD 3.73Å
135E97.6Very high90.3Very high135 Ų13568.4 Ų68.463%0.63136%0.361SS*.EExtended strand (participates in β ladder)trans-93.3138.3171.1-170.1178.690.800110.3A114 V115A114-E135 HydrophobicContact CB-CG 3.92Å; V115-E135 WeakPolarHBondContact O-CA 3.38Å
136A97.7Very high91.8Very high5 Ų566 Ų664%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-143.3159.3169.900000110.8C25 F27 A114 V115 L117C25-A136 HydrophobicContact CB-CB 3.96Å; F27-A136 HydrophobicContact CB-CB 4.29Å; A114-A136 WeakPolarHBondContact CA-O 3.46Å; V115-A136 PolarHBondContact N-O 2.81Å; V115-A136 PolarHBondContact O-N 2.92Å; L117-A136 HydrophobicContact CD1-CB 3.66Å
137S98.1Very high93.3Very high35 Ų3567.2 Ų67.225%0.24537%0.371CS..EExtended strand (participates in β ladder)trans-75.7142.7171.8-700000111.1C25 V26 F27 T113C25-S137 PolarHBondContact O-N 2.77Å; V26-S137 CarbonylContact C-O 2.97Å; V26-S137 WeakPolarHBondContact CA-O 3.45Å; F27-S137 PolarHBondContact N-O 3.46Å; T113-S137 CarbonylContact O-C 3.57Å; T113-S137 WeakPolarHBondContact O-CA 3.47Å
138V98.4Very high94.7Very high0 Ų058.6 Ų58.60%033%0.333CS..EExtended strand (participates in β ladder)trans-136.9148.2174.266.10000109.8F27 Y29 L75 R112 T113 V115 S140F27-V138 HydrophobicContact CD1-CB 4.38Å; F27-V138 HydrophobicContact CD1-CG2 3.95Å; Y29-V138 HydrophobicContact CD1-CG2 3.64Å; Y29-V138 HydrophobicContact CE1-CG2 3.53Å; L75-V138 HydrophobicContact CD2-CG1 4.36Å; L75-V138 HydrophobicContact CD2-CG2 3.76Å; R112-V138 WeakPolarHBondContact CA-O 3.42Å; T113-V138 PolarHBondContact N-O 3.4Å; T113-V138 PolarHBondContact O-N 3.02Å; T113-V138 WeakPolarHBondContact OG1-CG1 3.33Å; T113-V138 PolarHBondContact OG1-O 2.91Å; V115-V138 HydrophobicContact CB-CG1 4.17Å; V115-V138 HydrophobicContact CG1-CG1 3.49Å; V115-V138 VanDerWaalsContact CG1-CG1 3.49Å; V115-V138 HydrophobicContact CG2-CB 3.9Å; V115-V138 HydrophobicContact CG2-CG1 3.59Å; V138-S140 PolarHBondContact O-N 3.19Å
139Y98.4Very high95.4Very high6 Ų659.3 Ų59.32%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-84.198.7170.5-64.1-82.8000109.2V26 Y29 L100 D101 E104 I106 R112V26-Y139 HydrophobicContact CG1-CE2 4.12Å; Y29-Y139 VanDerWaalsContact CE1-O 3.24Å; Y29-Y139 WeakPolarHBondContact CE1-O 3.24Å; Y29-Y139 PolarHBondContact OH-O 3.02Å; L100-Y139 HydrophobicContact CB-CE2 4.01Å; L100-Y139 WeakPolarHBondContact CB-OH 3.47Å; L100-Y139 HydrophobicContact CD1-CE2 4.45Å; D101-Y139 PolarHBondContact N-OH 3.08Å; D101-Y139 WeakPolarHBondContact OD1-CE1 3.33Å; D101-Y139 PolarHBondContact OD1-OH 3.3Å; E104-Y139 HydrophobicContact CB-CD1 3.6Å; E104-Y139 HydrophobicContact CB-CE1 3.93Å; E104-Y139 HydrophobicContact CB-CG 4.1Å; E104-Y139 HydrophobicContact CG-CD1 3.74Å; E104-Y139 HydrophobicContact CG-CD2 4.04Å; E104-Y139 HydrophobicContact CG-CE1 4.04Å; E104-Y139 HydrophobicContact CG-CE2 4.34Å; E104-Y139 HydrophobicContact CG-CG 3.76Å; I106-Y139 HydrophobicContact CD1-CD1 3.63Å; I106-Y139 HydrophobicContact CD1-CE1 3.35Å; I106-Y139 HydrophobicContact CG1-CD1 4.08Å; I106-Y139 HydrophobicContact CG1-CE1 4Å; R112-Y139 HydrophobicContact CB-CE1 4.49Å
140S97.5Very high95.8Very high2 Ų258 Ų581%0.01434%0.344CS..EExtended strand (participates in β ladder)trans-110167.6174.570.80000110.2L75 Y110 Q111 T113 V138L75-S140 CarbonylContact O-C 3.18Å; L75-S140 WeakPolarHBondContact O-CA 3.38Å; Y110-S140 CarbonylContact C-O 3.49Å; Y110-S140 WeakPolarHBondContact CA-O 3.41Å; Q111-S140 PolarHBondContact N-O 3.47Å; Q111-S140 PolarHBondContact O-N 2.99Å; Q111-S140 VanDerWaalsContact O-O 3.08Å; T113-S140 WeakPolarHBondContact CG2-OG 3.45Å; T113-S140 PolarHBondContact OG1-OG 2.91Å; V138-S140 PolarHBondContact O-N 3.19Å
141T97Very high96.1Very high0 Ų057.3 Ų57.30%033%0.331CS..BIsolated β-bridgetrans-130.3136.9179.8-1710000112.7F74 L75 L76 N77 M109 T143 Y144F74-T141 HydrophobicContact CB-CG2 4.16Å; F74-T141 HydrophobicContact CD1-CG2 3.97Å; L75-T141 PolarHBondContact O-N 3.28Å; L76-T141 HydrophobicContact CD2-CG2 3.81Å; N77-T141 PolarHBondContact N-O 2.62Å; M109-T141 WeakPolarHBondContact O-CB 3.27Å; M109-T141 PolarHBondContact O-OG1 2.93Å; T141-T143 PolarHBondContact OG1-N 2.94Å; T141-T143 VanDerWaalsContact OG1-N 3.13Å; T141-T143 PolarHBondContact OG1-O 2.87Å; T141-T143 PolarHBondContact OG1-OG1 3.05Å; T141-Y144 HydrophobicContact CG2-CD1 4.23Å; T141-Y144 WeakPolarHBondContact O-CE1 3.33Å
142T96.2Very high96.3Very high80 Ų8059 Ų5949%0.49133%0.333SS..SBendtrans-106.1-3.8167.255.10000111.7N77 Q111N77-T142 HydrophobicContact CB-CG2 3.8Å; Q111-T142 PolarHBondContact OE1-OG1 2.86Å
143T93.9Very high96.4Very high73 Ų7359.5 Ų59.545%0.44833%0.334SS..  trans-111.577.8-173.845.30000109.5T108 M109 Q111 T141T108-T143 PolarHBondContact O-OG1 3.12Å; M109-T143 PolarHBondContact O-OG1 3.03Å; Q111-T143 PolarHBondContact NE2-OG1 2.89Å; T141-T143 PolarHBondContact OG1-N 2.94Å; T141-T143 VanDerWaalsContact OG1-N 3.13Å; T141-T143 PolarHBondContact OG1-O 2.87Å; T141-T143 PolarHBondContact OG1-OG1 3.05Å
144Y94.3Very high96.5Very high69 Ų6957 Ų5727%0.27132%0.319SS..  trans-131.5163.6-175.848.4-102.3000112.1L76 L78 T141 W148 P149L76-Y144 HydrophobicContact CB-CD1 4.49Å; L76-Y144 HydrophobicContact CB-CE1 4.28Å; L76-Y144 HydrophobicContact CD2-CD1 3.81Å; L76-Y144 HydrophobicContact CD2-CE1 4.42Å; L76-Y144 HydrophobicContact CD2-CG 4.04Å; L78-Y144 WeakPolarHBondContact CD2-OH 3.46Å; T141-Y144 HydrophobicContact CG2-CD1 4.23Å; T141-Y144 WeakPolarHBondContact O-CE1 3.33Å; Y144-W148 HydrophobicContact CD2-CB 4.44Å; Y144-W148 HydrophobicContact CG-CE3 4.46Å; Y144-P149 HydrophobicContact CD2-CG 4.2Å; Y144-P149 HydrophobicContact CE2-CG 3.68Å
145Q94.2Very high96.6Very high118 Ų11858.8 Ų58.855%0.55133%0.329SS*.  trans-71.2148.2175.9-61.4-66-28.600111D147 W148Q145-D147 WeakPolarHBondContact CB-OD1 3.46Å; Q145-D147 PolarHBondContact O-N 3.48Å; Q145-W148 HydrophobicContact CB-CG 4.24Å; Q145-W148 WeakPolarHBondContact O-CB 3.09Å; Q145-W148 PolarHBondContact O-N 2.98Å
146P94.9Very high96.5Very high117 Ų11755.9 Ų55.976%0.7632%0.318SS*.THydrogen-bonded Turntrans-59.9-21.9-174.1-25.735000115.5
147D95.5Very high96.5Very high96 Ų9655.7 Ų55.751%0.51332%0.316SS..THydrogen-bonded Turntrans-84.6-18.517963.1-31.8000113.3Q145 S150Q145-D147 WeakPolarHBondContact CB-OD1 3.46Å; Q145-D147 PolarHBondContact O-N 3.48Å; D147-S150 WeakPolarHBondContact O-CB 3.3Å; D147-S150 PolarHBondContact O-N 2.93Å
148W96.5Very high96.4Very high27 Ų2756.9 Ų56.910%0.10232%0.32CS..G310 helixtrans-57.8-40-176.9-74.419.3000114.7V65 A67 T68 F74 L76 Y144 Q145 S150 L151V65-W148 HydrophobicContact CG2-CE3 4.41Å; A67-W148 HydrophobicContact CB-CD2 3.76Å; A67-W148 VanDerWaalsContact CB-CE2 3.45Å; A67-W148 HydrophobicContact CB-CE3 4.1Å; A67-W148 HydrophobicContact CB-CG 4.39Å; A67-W148 HydrophobicContact CB-CH2 3.96Å; A67-W148 HydrophobicContact CB-CZ2 3.57Å; A67-W148 HydrophobicContact CB-CZ3 4.21Å; T68-W148 HydrophobicContact CG2-CH2 3.94Å; T68-W148 HydrophobicContact CG2-CZ2 3.74Å; F74-W148 HydrophobicContact CB-CE3 4.34Å; F74-W148 HydrophobicContact CB-CZ3 3.94Å; F74-W148 AromaticContact CD1-CH2 3.98Å; F74-W148 HydrophobicContact CD1-CH2 3.98Å; F74-W148 AromaticContact CD1-CZ3 3.53Å; F74-W148 HydrophobicContact CD1-CZ3 3.53Å; F74-W148 HydrophobicContact CD2-CE3 4.34Å; F74-W148 AromaticContact CD2-CH2 3.69Å; F74-W148 HydrophobicContact CD2-CH2 3.69Å; F74-W148 AromaticContact CD2-CZ3 3.52Å; F74-W148 HydrophobicContact CD2-CZ3 3.52Å; F74-W148 AromaticContact CE1-CH2 3.78Å; F74-W148 HydrophobicContact CE1-CH2 3.78Å; F74-W148 AromaticContact CE1-CZ3 3.82Å; F74-W148 HydrophobicContact CE1-CZ3 3.82Å; F74-W148 AromaticContact CE2-CH2 3.47Å; F74-W148 HydrophobicContact CE2-CH2 3.47Å; F74-W148 VanDerWaalsContact CE2-CH2 3.47Å; F74-W148 HydrophobicContact CE2-CZ2 4.33Å; F74-W148 AromaticContact CE2-CZ3 3.81Å; F74-W148 HydrophobicContact CE2-CZ3 3.81Å; F74-W148 HydrophobicContact CG-CE3 4.21Å; F74-W148 AromaticContact CG-CH2 3.94Å; F74-W148 HydrophobicContact CG-CH2 3.94Å; F74-W148 AromaticContact CG-CZ3 3.37Å; F74-W148 HydrophobicContact CG-CZ3 3.37Å; F74-W148 AromaticContact CZ-CH2 3.52Å; F74-W148 HydrophobicContact CZ-CH2 3.52Å; F74-W148 AromaticContact CZ-CZ3 3.96Å; F74-W148 HydrophobicContact CZ-CZ3 3.96Å; L76-W148 HydrophobicContact CD1-CB 4.2Å; L76-W148 HydrophobicContact CD2-CE3 3.93Å; Y144-W148 HydrophobicContact CD2-CB 4.44Å; Y144-W148 HydrophobicContact CG-CE3 4.46Å; Q145-W148 HydrophobicContact CB-CG 4.24Å; Q145-W148 WeakPolarHBondContact O-CB 3.09Å; Q145-W148 PolarHBondContact O-N 2.98Å; W148-S150 PolarHBondContact O-N 3.3Å; W148-L151 HydrophobicContact CB-CD1 4.22Å; W148-L151 HydrophobicContact CG-CD1 4.05Å; W148-L151 WeakPolarHBondContact O-CB 3.44Å; W148-L151 PolarHBondContact O-N 3.44Å
149P96.3Very high96.2Very high47 Ų4757 Ų5731%0.30532%0.321SS..G310 helixtrans-60.3-17.3175.5-2636.4000114.6L76 L78 Y144L76-P149 HydrophobicContact CD1-CB 4.49Å; L76-P149 HydrophobicContact CD1-CG 4.18Å; L78-P149 HydrophobicContact CD1-CB 4.23Å; L78-P149 HydrophobicContact CD1-CG 4.17Å; Y144-P149 HydrophobicContact CD2-CG 4.2Å; Y144-P149 HydrophobicContact CE2-CG 3.68Å
150S95.9Very high95.9Very high109 Ų10962.1 Ų62.176%0.76235%0.348SS*.G310 helixtrans-94.9-3.4177.4-55.90000113.5D147 W148D147-S150 WeakPolarHBondContact O-CB 3.3Å; D147-S150 PolarHBondContact O-N 2.93Å; W148-S150 PolarHBondContact O-N 3.3Å
151L96.4Very high95.6Very high53 Ų5362.8 Ų62.828%0.27736%0.356SS..SBendtrans-69.6158.8177.3-67.7174.3000111.5V65 A67 W148 T153V65-L151 HydrophobicContact CB-CB 4.11Å; V65-L151 HydrophobicContact CB-CD1 4.24Å; V65-L151 HydrophobicContact CG1-CB 3.98Å; V65-L151 HydrophobicContact CG2-CD1 4.37Å; A67-L151 HydrophobicContact CB-CD1 3.99Å; W148-L151 HydrophobicContact CB-CD1 4.22Å; W148-L151 HydrophobicContact CG-CD1 4.05Å; W148-L151 WeakPolarHBondContact O-CB 3.44Å; W148-L151 PolarHBondContact O-N 3.44Å; L151-T153 PolarHBondContact O-N 3.24Å
152P96.7Very high95.2Very high84 Ų8471.4 Ų71.455%0.54540%0.402SS..PPolyproline II helixtrans-53.5132170-25.335000111.6Y154P152-Y154 HydrophobicContact CB-CE2 4.24Å; P152-Y154 VanDerWaalsContact O-CE2 3.31Å; P152-Y154 WeakPolarHBondContact O-CE2 3.38Å
153T97.3Very high94.8Very high53 Ų5369.8 Ų69.833%0.32539%0.388SS..EExtended strand (participates in β ladder)trans-102.6136.6178.6600000110.8P63 L64 V65 N83 L151P63-T153 HydrophobicContact CB-CG2 3.9Å; L64-T153 CarbonylContact O-C 3.55Å; L64-T153 VanDerWaalsContact O-CA 3.3Å; L64-T153 WeakPolarHBondContact O-CA 3.37Å; V65-T153 HydrophobicContact CG1-CG2 4.27Å; N83-T153 PolarHBondContact ND2-O 3.47Å; N83-T153 PolarHBondContact ND2-OG1 2.96Å; L151-T153 PolarHBondContact O-N 3.24Å
154Y97.7Very high94.6Very high50 Ų5069.5 Ų69.520%0.19640%0.4CS..EExtended strand (participates in β ladder)trans-109.3151.8-178.7-56.3-88000110.3L64 I66 P152 H163L64-Y154 WeakPolarHBondContact CB-O 3.19Å; L64-Y154 WeakPolarHBondContact O-CD2 3.45Å; L64-Y154 PolarHBondContact O-N 2.89Å; I66-Y154 HydrophobicContact CB-CE2 4.22Å; I66-Y154 HydrophobicContact CD1-CD2 4.16Å; I66-Y154 HydrophobicContact CD1-CE2 3.77Å; I66-Y154 HydrophobicContact CG1-CD2 4Å; I66-Y154 HydrophobicContact CG1-CE2 3.74Å; P152-Y154 HydrophobicContact CB-CE2 4.24Å; P152-Y154 VanDerWaalsContact O-CE2 3.31Å; P152-Y154 WeakPolarHBondContact O-CE2 3.38Å; Y154-H163 HydrophobicContact CE1-CB 4.06Å; Y154-H163 AromaticContact CE1-CD2 3.82Å
155D97.3Very high94.4Very high76 Ų7669.3 Ų69.341%0.40640%0.403SS..SBendtrans-95.6-27.717168.4-29.4000111.3N83 V85 Q86N83-D155 HydrophobicContact CB-CB 3.86Å; V85-D155 CarbonylContact C-O 3.56Å; V85-D155 WeakPolarHBondContact CA-O 3.37Å; Q86-D155 PolarHBondContact N-O 3.08Å; Q86-D155 PolarHBondContact NE2-OD2 3.36Å; Q86-D155 VanDerWaalsContact NE2-OD2 3.16Å
156N97.2Very high94.3Very high73 Ų7370.3 Ų70.339%0.3941%0.406SS..SBendtrans-140116176.5-175.328.8000110.4K33 Q86K33-N156 PolarHBondContact NZ-OD1 3.18Å; Q86-N156 HydrophobicContact CB-CB 4.16Å; Q86-N156 HydrophobicContact CG-CB 4.41Å
157Y97.1Very high94.1Very high2 Ų265.4 Ų65.41%0.00837%0.373CS..  trans-76135.6175.7167.8-96.3000111.9G30 K33 Q36 I66 P73 F167G30-Y157 VanDerWaalsContact C-CD1 3.49Å; K33-Y157 WeakPolarHBondContact CE-O 3.36Å; K33-Y157 PolarHBondContact NZ-O 3.14Å; Q36-Y157 HydrophobicContact CG-CE1 4.42Å; I66-Y157 HydrophobicContact CD1-CD2 4.1Å; I66-Y157 HydrophobicContact CD1-CE2 4.24Å; I66-Y157 HydrophobicContact CG1-CD2 4.16Å; I66-Y157 HydrophobicContact CG1-CE2 4.33Å; P73-Y157 HydrophobicContact CB-CD1 4.36Å; P73-Y157 HydrophobicContact CB-CD2 3.58Å; P73-Y157 HydrophobicContact CB-CE2 3.8Å; P73-Y157 HydrophobicContact CB-CG 3.86Å; P73-Y157 HydrophobicContact CG-CD1 4.12Å; P73-Y157 HydrophobicContact CG-CD2 4Å; P73-Y157 HydrophobicContact CG-CE1 3.95Å; P73-Y157 HydrophobicContact CG-CE2 3.81Å; P73-Y157 HydrophobicContact CG-CG 4.12Å; Y157-F167 WeakPolarHBondContact OH-CB 3.32Å; Y157-F167 VanDerWaalsContact OH-CD2 3.3Å; Y157-F167 WeakPolarHBondContact OH-CD2 3.47Å
158D96Very high93.8Very high60 Ų6064.3 Ų64.332%0.32137%0.365SS..  trans-142.1121.4166.3-178.11.5000109.9Q36 N160 G161 H163Q36-D158 PolarHBondContact NE2-OD1 2.98Å; D158-N160 PolarHBondContact O-N 2.87Å; D158-N160 PolarHBondContact OD1-N 3.17Å; D158-G161 PolarHBondContact O-N 3.09Å; D158-H163 PolarHBondContact O-CE1 3.39Å; D158-H163 PolarHBondContact O-NE2 3.1Å
159S94.4Very high93.2Very high3 Ų365.2 Ų65.22%0.02137%0.372CS..THydrogen-bonded Turntrans-56.2-23176.6-179.90000114K166 F167S159-K166 WeakPolarHBondContact O-CA 3.34Å; S159-F167 VanDerWaalsContact OG-CB 3.22Å; S159-F167 WeakPolarHBondContact OG-CB 3.42Å; S159-F167 PolarHBondContact OG-N 2.99Å
160N92.6Very high92.7Very high112 Ų11267 Ų6760%0.59937%0.372SS*.THydrogen-bonded Turntrans-106.516.8176.9-56.3-65.3000112.5D158D158-N160 PolarHBondContact O-N 2.87Å; D158-N160 PolarHBondContact OD1-N 3.17Å
161G90.4Very high92Very high17 Ų1768.9 Ų68.918%0.17537%0.369CS..SBendtrans-68.6168.7-179.800000113.8D158 H163 G164D158-G161 PolarHBondContact O-N 3.09Å; G161-H163 PolarHBondContact O-N 2.89Å; G161-G164 PolarHBondContact O-N 3.37Å; G161-G164 VanDerWaalsContact O-N 3.09Å
162D89.4Confident91.3Very high181 Ų18171.1 Ų71.197%0.96838%0.381SS*.THydrogen-bonded Turntrans-63.1-8.5-174.1-61.2-23.3000114.4G164D162-G164 PolarHBondContact O-N 2.93Å
163H87.8Confident90.7Very high46 Ų4669.5 Ų69.521%0.21336%0.364CS..THydrogen-bonded Turntrans-69.4-16.6172.751.571.1000113.5I66 Y154 D158 G161 L165I66-H163 VanDerWaalsContact CD1-CE1 3.46Å; I66-H163 WeakPolarHBondContact CD1-CE1 3.18Å; I66-H163 VanDerWaalsContact CD1-NE2 3.33Å; I66-H163 WeakPolarHBondContact CD1-NE2 3.42Å; Y154-H163 HydrophobicContact CE1-CB 4.06Å; Y154-H163 AromaticContact CE1-CD2 3.82Å; D158-H163 PolarHBondContact O-CE1 3.39Å; D158-H163 PolarHBondContact O-NE2 3.1Å; G161-H163 PolarHBondContact O-N 2.89Å; H163-L165 HydrophobicContact CB-CG 4.49Å; H163-L165 PolarHBondContact CE1-O 3.25Å; H163-L165 PolarHBondContact ND1-N 3.25Å; H163-L165 VanDerWaalsContact ND1-N 3.17Å; H163-L165 PolarHBondContact O-N 2.82Å
164G89.4Confident89.5Confident67 Ų6775.6 Ų75.669%0.69139%0.386SS*.  trans70.1-6.617900000115.4G161 D162 K166G161-G164 PolarHBondContact O-N 3.37Å; G161-G164 VanDerWaalsContact O-N 3.09Å; D162-G164 PolarHBondContact O-N 2.93Å; G164-K166 PolarHBondContact O-N 3.06Å; G164-K166 VanDerWaalsContact O-N 3.1Å
165L89.6Confident87.5Confident64 Ų6484.6 Ų84.634%0.33542%0.42SS..  trans-77.382.7175.2-55.4175.7000112I66 N71 H163I66-L165 HydrophobicContact CB-CD1 4.07Å; I66-L165 HydrophobicContact CG2-CB 4Å; I66-L165 HydrophobicContact CG2-CD1 3.8Å; N71-L165 HydrophobicContact CB-CB 4.1Å; H163-L165 HydrophobicContact CB-CG 4.49Å; H163-L165 PolarHBondContact CE1-O 3.25Å; H163-L165 PolarHBondContact ND1-N 3.25Å; H163-L165 VanDerWaalsContact ND1-N 3.17Å; H163-L165 PolarHBondContact O-N 2.82Å
166K91.3Very high84.9Confident140 Ų14088.1 Ų88.161%0.60946%0.46SS*.  trans-72.1132.2179.8-169.9173.5-177.11770112.2N71 S159 G164N71-K166 WeakPolarHBondContact CB-O 3.39Å; N71-K166 PolarHBondContact ND2-O 2.87Å; S159-K166 WeakPolarHBondContact O-CA 3.34Å; G164-K166 PolarHBondContact O-N 3.06Å; G164-K166 VanDerWaalsContact O-N 3.1Å
167F90.9Very high84.3Confident14 Ų1488.9 Ų88.96%0.06146%0.464CS..  trans-60.3137.4177.4-171.2-93.9000112.2P37 N38 M72 Y157 S159 L169P37-F167 HydrophobicContact CB-CD1 3.95Å; P37-F167 HydrophobicContact CB-CE1 4.45Å; P37-F167 HydrophobicContact CG-CB 4.08Å; P37-F167 HydrophobicContact CG-CD1 4.04Å; P37-F167 HydrophobicContact CG-CG 4.27Å; N38-F167 WeakPolarHBondContact ND2-CZ 3.22Å; M72-F167 HydrophobicContact CB-CE2 4.28Å; M72-F167 HydrophobicContact CG-CD2 4.43Å; M72-F167 HydrophobicContact CG-CE2 3.73Å; M72-F167 HydrophobicContact CG-CZ 4.3Å; Y157-F167 WeakPolarHBondContact OH-CB 3.32Å; Y157-F167 VanDerWaalsContact OH-CD2 3.3Å; Y157-F167 WeakPolarHBondContact OH-CD2 3.47Å; S159-F167 VanDerWaalsContact OG-CB 3.22Å; S159-F167 WeakPolarHBondContact OG-CB 3.42Å; S159-F167 PolarHBondContact OG-N 2.99Å; F167-L169 HydrophobicContact CD1-CD2 4.34Å; F167-L169 HydrophobicContact CE1-CD2 4.16Å
168M90.1Very high83.6Confident73 Ų7393.5 Ų93.536%0.3649%0.488SS..  trans-102.4115.7172.3-169.7174.4-68.400110.8Y70 D172 R173Y70-M168 HydrophobicContact CD1-CB 4.21Å; Y70-M168 HydrophobicContact CD1-CG 4.27Å; Y70-M168 HydrophobicContact CD1-SD 3.65Å; Y70-M168 HydrophobicContact CE1-SD 4.07Å; Y70-M168 PolarHBondContact O-N 3.03Å; M168-D172 HydrophobicContact CG-CB 3.97Å; M168-R173 HydrophobicContact CG-CG 4.27Å; M168-R173 PolarHBondContact O-NE 3.42Å; M168-R173 PolarHBondContact O-NH2 3.06Å; M168-R173 VanDerWaalsContact O-NH2 3.11Å; M168-R173 HydrophobicContact SD-CG 4.34Å
169L84.5Confident82.9Confident45 Ų4595.3 Ų95.324%0.23650%0.497CS..  trans-58.8151.5175.8-70.3172.4000110.7P37 F167 E171 D172 R173P37-L169 HydrophobicContact CB-CD2 3.71Å; F167-L169 HydrophobicContact CD1-CD2 4.34Å; F167-L169 HydrophobicContact CE1-CD2 4.16Å; L169-E171 VanDerWaalsContact C-N 3.25Å; L169-E171 HydrophobicContact CB-CG 3.93Å; L169-E171 PolarHBondContact O-N 3.11Å; L169-D172 PolarHBondContact O-N 3.33Å; L169-D172 VanDerWaalsContact O-N 3.13Å; L169-R173 WeakPolarHBondContact O-CG 3.46Å; L169-R173 PolarHBondContact O-N 3.47Å
170R84.1Confident82.2Confident84 Ų84100.8 Ų100.832%0.31753%0.525SS..G310 helixtrans-58.2-38.2-178.9-76.4-176.8175.8-175.1-2.5112.7F103 D172 R173F103-R170 PolarHBondContact O-NH1 2.83Å; F103-R170 PolarHBondContact O-NH2 3.32Å; R170-D172 VanDerWaalsContact C-N 3.28Å; R170-D172 PolarHBondContact O-N 3.13Å; R170-R173 WeakPolarHBondContact O-CB 3.33Å; R170-R173 PolarHBondContact O-N 3.31Å
171E82.1Confident81.6Confident149 Ų149100.1 Ų100.170%0.69652%0.52SS*.G310 helixtrans-65.2-27.6178.159.3-165.8-155.300114L169L169-E171 VanDerWaalsContact C-N 3.25Å; L169-E171 HydrophobicContact CB-CG 3.93Å; L169-E171 PolarHBondContact O-N 3.11Å
172D81.9Confident81Confident100 Ų100105.6 Ų105.654%0.53554%0.543SS..G310 helixtrans-87.8-7.7179.7-65.3-37.5000113M168 L169 R170 K174M168-D172 HydrophobicContact CG-CB 3.97Å; L169-D172 PolarHBondContact O-N 3.33Å; L169-D172 VanDerWaalsContact O-N 3.13Å; R170-D172 VanDerWaalsContact C-N 3.28Å; R170-D172 PolarHBondContact O-N 3.13Å; D172-K174 PolarHBondContact O-N 3.29Å
173R83.3Confident80.4Confident51 Ų51100.2 Ų100.219%0.19251%0.513CS..  trans-72.8107.3179.8-57-179.3-169.3-175.3-2.6107.7Y70 M72 M168 L169 R170 W175Y70-R173 HydrophobicContact CD1-CB 4.4Å; Y70-R173 HydrophobicContact CD1-CG 3.64Å; Y70-R173 HydrophobicContact CE1-CB 3.81Å; Y70-R173 HydrophobicContact CE1-CG 3.55Å; Y70-R173 HydrophobicContact CG-CG 4.2Å; M72-R173 PolarHBondContact SD-NH1 2.92Å; M72-R173 VanDerWaalsContact SD-NH1 3.44Å; M72-R173 PolarHBondContact SD-NH2 2.82Å; M168-R173 HydrophobicContact CG-CG 4.27Å; M168-R173 PolarHBondContact O-NE 3.42Å; M168-R173 PolarHBondContact O-NH2 3.06Å; M168-R173 VanDerWaalsContact O-NH2 3.11Å; M168-R173 HydrophobicContact SD-CG 4.34Å; L169-R173 WeakPolarHBondContact O-CG 3.46Å; L169-R173 PolarHBondContact O-N 3.47Å; R170-R173 WeakPolarHBondContact O-CB 3.33Å; R170-R173 PolarHBondContact O-N 3.31Å; R173-W175 PolarHBondContact O-N 3.08Å
174K72.6Confident79.8Confident181 Ų181104.4 Ų104.479%0.78754%0.536SS*.  trans-55.8124.8164.6-63.3-174.5-178.9-178.50107D172 A176D172-K174 PolarHBondContact O-N 3.29Å; K174-A176 PolarHBondContact O-N 3.18Å; K174-A176 VanDerWaalsContact O-N 3.08Å
175W56.7Low79.1Confident238 Ų238107.5 Ų107.590%0.90252%0.523SS*.  trans-54.8118.8165.455.3-90.7000106.2R173R173-W175 PolarHBondContact O-N 3.08Å
176A41.6Very low78.1Confident151 Ų151111.5 Ų111.5100%1.24854%0.54SS*.  trans-96.20169.900000107.4K174K174-A176 PolarHBondContact O-N 3.18Å; K174-A176 VanDerWaalsContact O-N 3.08Å

Retrieved 176 of 176 residues in 112.8 ms (Link to these results)

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