A0A087XMN1_POEFO Loading...

Novel immune-type receptor 13

AlphaFold DB , UniProt , Accession A0A087XMN1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1L51.8Low63.7Low175 Ų175112.6 Ų112.692%0.91660%0.604SS**  0-68.90-130.975.9000112.2I3 T4 M5L1-I3 PolarHBondContact O-N 2.93Å; L1-T4 PolarHBondContact N-OG1 2.9Å; L1-T4 WeakPolarHBondContact O-CA 3.32Å; L1-T4 VanDerWaalsContact O-CB 3.23Å; L1-T4 WeakPolarHBondContact O-CB 3.45Å; L1-T4 PolarHBondContact O-N 3.43Å; L1-T4 PolarHBondContact O-OG1 3.03Å; L1-T4 VanDerWaalsContact O-OG1 3.11Å; L1-M5 WeakPolarHBondContact O-CG 3.09Å; L1-M5 PolarHBondContact O-N 3.43Å
2F48Very low64.4Low183 Ų183111.8 Ų111.880%0.80360%0.599SS**Hα-helixtrans-55.3-50.3-175-107-93.1000114.8T4 M5 A6F2-T4 PolarHBondContact O-N 2.94Å; F2-M5 PolarHBondContact O-N 2.88Å; F2-A6 PolarHBondContact O-N 3.24Å
3I61.8Low65.2Low130 Ų130114 Ų11467%0.66760%0.6SS**Hα-helixtrans-58.8-35.5176.5-61.4170.6000111.3L1 K7L1-I3 PolarHBondContact O-N 2.93Å; I3-K7 WeakPolarHBondContact O-CG 3.45Å; I3-K7 PolarHBondContact O-N 2.91Å; I3-K7 VanDerWaalsContact O-N 3.15Å
4T60.4Low65.4Low79 Ų79115.4 Ų115.449%0.48560%0.599SS.*Hα-helixtrans-67.9-46.4178.4-20.50000111L1 F2 K7 I8L1-T4 PolarHBondContact N-OG1 2.9Å; L1-T4 WeakPolarHBondContact O-CA 3.32Å; L1-T4 VanDerWaalsContact O-CB 3.23Å; L1-T4 WeakPolarHBondContact O-CB 3.45Å; L1-T4 PolarHBondContact O-N 3.43Å; L1-T4 PolarHBondContact O-OG1 3.03Å; L1-T4 VanDerWaalsContact O-OG1 3.11Å; F2-T4 PolarHBondContact O-N 2.94Å; T4-K7 PolarHBondContact O-N 2.92Å; T4-I8 WeakPolarHBondContact O-CD1 3.5Å; T4-I8 VanDerWaalsContact O-CG1 3.29Å; T4-I8 WeakPolarHBondContact O-CG1 3.42Å; T4-I8 PolarHBondContact O-N 3.1Å
5M60.1Low65.5Low127 Ų127114.9 Ų114.963%0.62660%0.596SS**Hα-helixtrans-64.1-41.3177.2-62.1-64.9-88.400112.1L1 F2 K7 I8 L9L1-M5 WeakPolarHBondContact O-CG 3.09Å; L1-M5 PolarHBondContact O-N 3.43Å; F2-M5 PolarHBondContact O-N 2.88Å; M5-K7 PolarHBondContact O-N 2.86Å; M5-I8 PolarHBondContact O-N 3.41Å; M5-L9 WeakPolarHBondContact O-CB 3.31Å; M5-L9 PolarHBondContact O-N 2.87Å
6A67.2Low65.4Low63 Ų63111 Ų11152%0.52159%0.587SS.*Hα-helixtrans-62.6-4117700000112.6F2 L9 S10F2-A6 PolarHBondContact O-N 3.24Å; A6-L9 PolarHBondContact O-N 2.85Å; A6-S10 WeakPolarHBondContact O-CB 3.35Å; A6-S10 PolarHBondContact O-N 2.96Å
7K67.1Low65.3Low154 Ų154109.8 Ų109.867%0.6758%0.58SS**Hα-helixtrans-65.4-40.7174.6-74.9-176.9177.3-169.20112.4I3 T4 M5 S10 A11I3-K7 WeakPolarHBondContact O-CG 3.45Å; I3-K7 PolarHBondContact O-N 2.91Å; I3-K7 VanDerWaalsContact O-N 3.15Å; T4-K7 PolarHBondContact O-N 2.92Å; M5-K7 PolarHBondContact O-N 2.86Å; K7-S10 PolarHBondContact O-N 2.83Å; K7-A11 WeakPolarHBondContact O-CB 3.28Å; K7-A11 PolarHBondContact O-N 2.73Å
8I70.4Confident65Low91 Ų91107.7 Ų107.747%0.46758%0.575SS.*Hα-helixtrans-63.8-46.1176.7-68.5162.3000110.6T4 M5 S10 A11 L12T4-I8 WeakPolarHBondContact O-CD1 3.5Å; T4-I8 VanDerWaalsContact O-CG1 3.29Å; T4-I8 WeakPolarHBondContact O-CG1 3.42Å; T4-I8 PolarHBondContact O-N 3.1Å; M5-I8 PolarHBondContact O-N 3.41Å; I8-S10 PolarHBondContact O-N 3.17Å; I8-A11 PolarHBondContact O-N 3.22Å; I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.46Å; I8-L12 WeakPolarHBondContact O-CG 3.29Å; I8-L12 PolarHBondContact O-N 2.82Å
9L68.8Low64.4Low130 Ų130107.1 Ų107.168%0.68158%0.58SS**Hα-helixtrans-63.9-40.9179.4-161.874.2000111.9M5 A6 L12 F13M5-L9 WeakPolarHBondContact O-CB 3.31Å; M5-L9 PolarHBondContact O-N 2.87Å; A6-L9 PolarHBondContact O-N 2.85Å; L9-L12 PolarHBondContact O-N 3.03Å; L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 2.92Å
10S72.4Confident63.7Low57 Ų57109.3 Ų109.340%0.39959%0.591SS.*Hα-helixtrans-62.8-44.4173.9176.50000112.2A6 K7 I8 F13 F14A6-S10 WeakPolarHBondContact O-CB 3.35Å; A6-S10 PolarHBondContact O-N 2.96Å; K7-S10 PolarHBondContact O-N 2.83Å; I8-S10 PolarHBondContact O-N 3.17Å; S10-F13 WeakPolarHBondContact O-CB 3.33Å; S10-F13 PolarHBondContact O-N 2.88Å; S10-F14 WeakPolarHBondContact O-CD2 3.46Å; S10-F14 PolarHBondContact O-N 3.39Å; S10-F14 WeakPolarHBondContact OG-CE2 3.4Å
11A72.3Confident63Low50 Ų50108.4 Ų108.441%0.41359%0.593SS.*Hα-helixtrans-63.5-41.7177.300000112.3K7 I8 F13 F14 L15K7-A11 WeakPolarHBondContact O-CB 3.28Å; K7-A11 PolarHBondContact O-N 2.73Å; I8-A11 PolarHBondContact O-N 3.22Å; A11-F13 VanDerWaalsContact C-N 3.32Å; A11-F13 PolarHBondContact O-N 2.84Å; A11-F14 PolarHBondContact O-N 3.22Å; A11-L15 WeakPolarHBondContact O-CB 3.14Å; A11-L15 WeakPolarHBondContact O-CG 3.48Å; A11-L15 PolarHBondContact O-N 3.5Å
12L72.6Confident62.7Low103 Ų103107.9 Ų107.954%0.53959%0.586SS.*Hα-helixtrans-63.1-37.3174.5-71.9169.4000112.1I8 L9 L15 A16I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.46Å; I8-L12 WeakPolarHBondContact O-CG 3.29Å; I8-L12 PolarHBondContact O-N 2.82Å; L9-L12 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 3.14Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.48Å
13F74.3Confident62.5Low140 Ų140105.3 Ų105.361%0.61459%0.585SS**Hα-helixtrans-66.6-44.6175.8-168.1-109.3000112.1L9 S10 A11 A16 I17L9-F13 WeakPolarHBondContact O-CB 3.48Å; L9-F13 PolarHBondContact O-N 2.92Å; S10-F13 WeakPolarHBondContact O-CB 3.33Å; S10-F13 PolarHBondContact O-N 2.88Å; A11-F13 VanDerWaalsContact C-N 3.32Å; A11-F13 PolarHBondContact O-N 2.84Å; F13-A16 PolarHBondContact O-N 3.43Å; F13-I17 HydrophobicContact CD1-CD1 3.67Å; F13-I17 HydrophobicContact CE1-CD1 3.52Å; F13-I17 HydrophobicContact CG-CD1 4.4Å; F13-I17 HydrophobicContact CZ-CD1 4.11Å; F13-I17 WeakPolarHBondContact O-CG1 3.36Å; F13-I17 PolarHBondContact O-N 2.94Å
14F67.6Low61.7Low133 Ų133105.2 Ų105.258%0.58359%0.586SS**Hα-helixtrans-63.2-40.7173.7-77.5-64.2000112.6S10 A11 I17 S18S10-F14 WeakPolarHBondContact O-CD2 3.46Å; S10-F14 PolarHBondContact O-N 3.39Å; S10-F14 WeakPolarHBondContact OG-CE2 3.4Å; A11-F14 PolarHBondContact O-N 3.22Å; F14-I17 PolarHBondContact O-N 2.66Å; F14-S18 PolarHBondContact O-N 3.03Å; F14-S18 PolarHBondContact O-OG 3.22Å
15L67.1Low60.9Low108 Ų108110.2 Ų110.257%0.56560%0.604SS**Hα-helixtrans-61.3-45.6174.5-77.5164000111.6A11 L12 I17 S18 S19A11-L15 WeakPolarHBondContact O-CB 3.14Å; A11-L15 WeakPolarHBondContact O-CG 3.48Å; A11-L15 PolarHBondContact O-N 3.5Å; L12-L15 PolarHBondContact O-N 3.14Å; L15-I17 PolarHBondContact O-N 3.37Å; L15-S18 WeakPolarHBondContact CA-OG 3.31Å; L15-S18 PolarHBondContact O-N 2.75Å; L15-S18 PolarHBondContact O-OG 3.11Å; L15-S19 PolarHBondContact O-N 2.63Å
16A64.8Low60.4Low53 Ų53111 Ų11144%0.43861%0.609SS.*Hα-helixtrans-59.7-44.7176.500000112.1L12 F13 S18 S19 L20L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.48Å; F13-A16 PolarHBondContact O-N 3.43Å; A16-S18 PolarHBondContact O-N 3.25Å; A16-S19 PolarHBondContact O-N 2.83Å; A16-S19 PolarHBondContact O-OG 2.86Å; A16-L20 PolarHBondContact O-N 3.2Å
17I63.8Low59.8Low91 Ų91113.4 Ų113.447%0.46762%0.619SS.*Hα-helixtrans-60.7-45.4175.8-67163.3000111.1F13 F14 L15 S19 L20F13-I17 HydrophobicContact CD1-CD1 3.67Å; F13-I17 HydrophobicContact CE1-CD1 3.52Å; F13-I17 HydrophobicContact CG-CD1 4.4Å; F13-I17 HydrophobicContact CZ-CD1 4.11Å; F13-I17 WeakPolarHBondContact O-CG1 3.36Å; F13-I17 PolarHBondContact O-N 2.94Å; F14-I17 PolarHBondContact O-N 2.66Å; L15-I17 PolarHBondContact O-N 3.37Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 2.71Å; I17-L20 PolarHBondContact O-N 2.95Å
18S59.2Low59.3Low72 Ų72115.2 Ų115.250%0.50363%0.63SS.*Hα-helixtrans-64.7-31.417863.20000113.4F14 L15 A16 L20 S21F14-S18 PolarHBondContact O-N 3.03Å; F14-S18 PolarHBondContact O-OG 3.22Å; L15-S18 WeakPolarHBondContact CA-OG 3.31Å; L15-S18 PolarHBondContact O-N 2.75Å; L15-S18 PolarHBondContact O-OG 3.11Å; A16-S18 PolarHBondContact O-N 3.25Å; S18-L20 VanDerWaalsContact C-N 3.27Å; S18-L20 PolarHBondContact O-N 2.84Å; S18-S21 PolarHBondContact O-N 3.41Å
19S53.4Low59.2Low95 Ų95119.5 Ų119.566%0.66465%0.648SS**Hα-helixtrans-73.3-15.9176.471.50000114.2L15 A16 I17 S21L15-S19 PolarHBondContact O-N 2.63Å; A16-S19 PolarHBondContact O-N 2.83Å; A16-S19 PolarHBondContact O-OG 2.86Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 2.71Å; S19-S21 VanDerWaalsContact C-N 3.33Å
20L50.7Low59.9Low151 Ų151117 Ų11779%0.79163%0.634SS**THydrogen-bonded Turntrans-88.70.3178.5-147.273.3000113.1A16 I17 S18 Q22A16-L20 PolarHBondContact O-N 3.2Å; I17-L20 PolarHBondContact O-N 2.95Å; S18-L20 VanDerWaalsContact C-N 3.27Å; S18-L20 PolarHBondContact O-N 2.84Å; L20-Q22 PolarHBondContact O-N 2.97Å
21S49.8Very low60.6Low91 Ų91117.6 Ų117.664%0.63664%0.637SS**  trans-79.161.3171.6-61.80000111.5S18 S19 T23S18-S21 PolarHBondContact O-N 3.41Å; S19-S21 VanDerWaalsContact C-N 3.33Å; S21-T23 PolarHBondContact O-N 3.4Å
22Q43.9Very low61.3Low165 Ų165120.6 Ų120.677%0.77165%0.645SS**  trans-69104.3165.2-149.817341.200107.1L20 N24L20-Q22 PolarHBondContact O-N 2.97Å; Q22-N24 PolarHBondContact O-N 3.31Å
23T45.7Very low62.1Low129 Ų129119 Ų11979%0.79164%0.635SS**  trans-68.785.3170.350.20000108.1S21 E25S21-T23 PolarHBondContact O-N 3.4Å; T23-E25 PolarHBondContact O-N 3.13Å
24N44Very low62.8Low128 Ų128116.8 Ų116.868%0.68463%0.633SS**  trans-58.9106.7159.8-79.7-19.6000106.5Q22 I26Q22-N24 PolarHBondContact O-N 3.31Å; N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 3.12Å
25E43.9Very low63.9Low183 Ų183111.5 Ų111.586%0.85561%0.612SS**  trans-57.8105.6162-71.9-170.6155.500106.4T23 P27T23-E25 PolarHBondContact O-N 3.13Å; E25-P27 WeakPolarHBondContact O-CD 3.09Å; E25-P27 VanDerWaalsContact O-N 3.15Å
26I48.6Very low65Low145 Ų145111.7 Ų111.774%0.74461%0.609SS**  trans-58.6120.5177.2-61.7172.5000105.7N24 H28N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 3.12Å; I26-H28 PolarHBondContact O-N 3.14Å
27P55.4Low66.3Low112 Ų112112.3 Ų112.373%0.72761%0.608SS**  trans-55.1121.3-178.7-26.234.6000109.3E25 Q29E25-P27 WeakPolarHBondContact O-CD 3.09Å; E25-P27 VanDerWaalsContact O-N 3.15Å; P27-Q29 PolarHBondContact O-N 2.94Å
28H57.1Low67.6Low193 Ų193109.8 Ų109.889%0.89460%0.604SS**  trans-57.9106.5179.5-83.4-76.1000109.1I26 I30I26-H28 PolarHBondContact O-N 3.14Å; H28-I30 PolarHBondContact O-N 3.26Å
29Q67.6Low69.2Low180 Ų180107.4 Ų107.484%0.84159%0.591SS**PPolyproline II helixtrans-64125.5179.8-173.6172.4-8.600108.6P27 P31P27-Q29 PolarHBondContact O-N 2.94Å; Q29-P31 VanDerWaalsContact O-CD 3.27Å; Q29-P31 WeakPolarHBondContact O-CD 3.31Å
30I83.6Confident71.2Confident77 Ų77108 Ų10840%0.39559%0.587SS.*PPolyproline II helixtrans-63119.5177.9-60.8178.8000107.6H28 T111 F113H28-I30 PolarHBondContact O-N 3.26Å; I30-T111 HydrophobicContact CD1-CG2 3.95Å; I30-T111 HydrophobicContact CG2-CG2 4.06Å; I30-F113 HydrophobicContact CD1-CE1 3.77Å; I30-F113 HydrophobicContact CD1-CZ 3.94Å
31P86.7Confident73.3Confident71 Ų71101.1 Ų101.146%0.46155%0.551SS.*PPolyproline II helixtrans-66.9157.1178.1-17.732.6000111.4Q29 G127 M128 Y129Q29-P31 VanDerWaalsContact O-CD 3.27Å; Q29-P31 WeakPolarHBondContact O-CD 3.31Å; P31-G127 VanDerWaalsContact CD-O 3.28Å; P31-G127 WeakPolarHBondContact CD-O 3.49Å; P31-M128 VanDerWaalsContact C-SD 3.57Å; P31-M128 HydrophobicContact CB-CE 4.04Å; P31-M128 HydrophobicContact CB-SD 3.78Å; P31-Y129 PolarHBondContact O-N 2.87Å
32L87.9Confident75.5Confident112 Ų112100.4 Ų100.459%0.58654%0.542SS*.EExtended strand (participates in β ladder)trans-105.3130.5174.3162.567.6000108.4V34 Y129 A131L32-V34 HydrophobicContact CD1-CG2 4.02Å; L32-V34 HydrophobicContact CD2-CG2 4.33Å; L32-V34 HydrophobicContact CG-CG2 4.1Å; L32-Y129 WeakPolarHBondContact CA-O 3.49Å; L32-Y129 HydrophobicContact CD1-CD1 3.61Å; L32-Y129 HydrophobicContact CD1-CE1 4.04Å; L32-A131 HydrophobicContact CD1-CB 3.7Å
33E88.3Confident77.9Confident70 Ų7092.7 Ų92.733%0.32751%0.506SS..EExtended strand (participates in β ladder)trans-123.3131.4169.3-166.8168.3168.700109.1V35 I41 M128 Y129 A131E33-V35 HydrophobicContact CG-CG2 4.45Å; E33-I41 HydrophobicContact CB-CD1 4.29Å; E33-I41 HydrophobicContact CG-CD1 3.86Å; E33-I41 WeakPolarHBondContact OE1-CD1 3.43Å; E33-I41 WeakPolarHBondContact OE1-CG1 3.26Å; E33-M128 HydrophobicContact CB-CE 4.26Å; E33-M128 HydrophobicContact CB-CG 4.17Å; E33-M128 HydrophobicContact CB-SD 3.71Å; E33-Y129 PolarHBondContact N-O 2.86Å; E33-A131 PolarHBondContact O-N 2.62Å
34V89.2Confident80.1Confident93 Ų9391.3 Ų91.356%0.56449%0.491SS*.EExtended strand (participates in β ladder)trans-112125.6-175.9-174.50000108.8L32 A131 N133L32-V34 HydrophobicContact CD1-CG2 4.02Å; L32-V34 HydrophobicContact CD2-CG2 4.33Å; L32-V34 HydrophobicContact CG-CG2 4.1Å; V34-A131 WeakPolarHBondContact CA-O 3.33Å; V34-A131 HydrophobicContact CG2-CB 4.3Å; V34-N133 HydrophobicContact CG1-CB 4.3Å
35V91.2Very high82.3Confident23 Ų2385.2 Ų85.214%0.13946%0.458CS..EExtended strand (participates in β ladder)trans-133.1145.8179.4-168.10000110.7E33 I41 I104 L130 A131 V132 N133E33-V35 HydrophobicContact CG-CG2 4.45Å; V35-I41 HydrophobicContact CG2-CB 4.27Å; V35-I41 HydrophobicContact CG2-CD1 3.91Å; V35-I41 HydrophobicContact CG2-CG1 4.36Å; V35-I104 HydrophobicContact CB-CD1 3.96Å; V35-I104 HydrophobicContact CG1-CD1 3.62Å; V35-I104 HydrophobicContact CG2-CD1 4.37Å; V35-L130 HydrophobicContact CB-CD1 4.21Å; V35-L130 HydrophobicContact CG2-CD1 3.8Å; V35-A131 PolarHBondContact N-O 2.81Å; V35-V132 CarbonylContact O-C 3.53Å; V35-V132 WeakPolarHBondContact O-CA 3.05Å; V35-N133 PolarHBondContact O-N 3.47Å
36E90.7Very high84.3Confident111 Ų11179.5 Ų79.552%0.51944%0.437SS..EExtended strand (participates in β ladder)trans-79.3151.3178.1-57.1-171.9155.800111.9G38 G39 N133 H135E36-G38 PolarHBondContact O-N 2.8Å; E36-G39 WeakPolarHBondContact O-CA 3.29Å; E36-G39 PolarHBondContact O-N 2.97Å; E36-N133 WeakPolarHBondContact CA-O 3.06Å; E36-H135 IonicContact OE1-CD2 2.68Å; E36-H135 IonicContact OE1-CE1 3.81Å; E36-H135 IonicContact OE1-NE2 2.73Å; E36-H135 PolarHBondContact OE1-NE2 2.96Å
37V91.2Very high85.9Confident67 Ų6772.6 Ų72.641%0.40640%0.402SS..THydrogen-bonded Turntrans-54.6134.7172.8172.40000110.7G39 I104 V132 N133 D134V37-G39 PolarHBondContact O-N 3.03Å; V37-I104 WeakPolarHBondContact CA-O 3.35Å; V37-V132 HydrophobicContact CG2-CG1 3.69Å; V37-N133 PolarHBondContact N-O 2.87Å; V37-D134 HydrophobicContact CG2-CB 3.76Å
38G91.4Very high86.7Confident38 Ų3868.7 Ų68.739%0.39238%0.377SS..THydrogen-bonded Turntrans83.3-11-173.800000114.4E36 I104E36-G38 PolarHBondContact O-N 2.8Å; G38-I104 PolarHBondContact N-O 2.9Å
39G93.3Very high87.3Confident22 Ų2264.6 Ų64.623%0.22736%0.356CS..  trans-66.9174.8174.300000113.8E36 V37 N103 I104E36-G39 WeakPolarHBondContact O-CA 3.29Å; E36-G39 PolarHBondContact O-N 2.97Å; V37-G39 PolarHBondContact O-N 3.03Å; G39-N103 PolarHBondContact O-N 2.75Å; G39-N103 VanDerWaalsContact O-N 3.1Å; G39-I104 WeakPolarHBondContact O-CG1 3.04Å; G39-I104 PolarHBondContact O-N 2.89Å
40N95.8Very high87.3Confident108 Ų10862.1 Ų62.158%0.57835%0.354SS*.  trans-128.6141.6176.7-54.9-41.1000109.4I101 K102 N103N40-I101 CarbonylContact C-O 3.55Å; N40-I101 WeakPolarHBondContact CA-O 3.47Å; N40-K102 WeakPolarHBondContact OD1-CA 3.38Å; N40-K102 WeakPolarHBondContact OD1-CB 3.25Å; N40-N103 PolarHBondContact OD1-N 2.98Å
41I95Very high86.4Confident6 Ų662 Ų623%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-130.7151.3178.8-170172.1000110.5E33 V35 L43 T100 I101 I104 L130E33-I41 HydrophobicContact CB-CD1 4.29Å; E33-I41 HydrophobicContact CG-CD1 3.86Å; E33-I41 WeakPolarHBondContact OE1-CD1 3.43Å; E33-I41 WeakPolarHBondContact OE1-CG1 3.26Å; V35-I41 HydrophobicContact CG2-CB 4.27Å; V35-I41 HydrophobicContact CG2-CD1 3.91Å; V35-I41 HydrophobicContact CG2-CG1 4.36Å; I41-L43 HydrophobicContact CD1-CD2 3.59Å; I41-L43 HydrophobicContact CD1-CG 4.38Å; I41-L43 HydrophobicContact CG1-CD2 4.14Å; I41-T100 CarbonylContact O-C 3.57Å; I41-T100 VanDerWaalsContact O-CA 3.29Å; I41-T100 WeakPolarHBondContact O-CA 3.47Å; I41-I101 HydrophobicContact CG2-CB 3.87Å; I41-I101 HydrophobicContact CG2-CD1 4.29Å; I41-I101 HydrophobicContact CG2-CG1 4.2Å; I41-I101 PolarHBondContact N-O 2.89Å; I41-I101 PolarHBondContact O-N 3.31Å; I41-I104 HydrophobicContact CB-CD1 3.87Å; I41-I104 HydrophobicContact CG2-CD1 3.62Å; I41-I104 HydrophobicContact CG2-CG1 4.41Å; I41-L130 HydrophobicContact CD1-CD1 3.71Å; I41-L130 HydrophobicContact CG2-CD2 4.23Å
42T95.3Very high85.5Confident75 Ų7559.2 Ų59.246%0.4633%0.332SS..EExtended strand (participates in β ladder)trans-125.2104.2166.8-62.80000110.5H44 L99 T100T42-H44 PolarHBondContact O-N 2.81Å; T42-L99 CarbonylContact C-O 3.56Å; T42-L99 WeakPolarHBondContact CA-O 3.48Å; T42-T100 WeakPolarHBondContact CG2-OG1 3.37Å; T42-T100 PolarHBondContact OG1-OG1 3.17Å
43L94.1Very high85.1Confident3 Ų359.4 Ų59.42%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-73.4109.8176.7-58.4172.9000108.7I41 W57 S98 L99 I101 Y112 M128I41-L43 HydrophobicContact CD1-CD2 3.59Å; I41-L43 HydrophobicContact CD1-CG 4.38Å; I41-L43 HydrophobicContact CG1-CD2 4.14Å; L43-W57 HydrophobicContact CB-CH2 3.57Å; L43-W57 HydrophobicContact CB-CZ2 4.27Å; L43-W57 HydrophobicContact CB-CZ3 3.97Å; L43-W57 HydrophobicContact CD1-CZ3 4.3Å; L43-W57 VanDerWaalsContact O-CZ2 3.29Å; L43-W57 WeakPolarHBondContact O-CZ2 3.4Å; L43-S98 CarbonylContact O-C 3.58Å; L43-S98 VanDerWaalsContact O-CA 3.25Å; L43-S98 WeakPolarHBondContact O-CA 3.36Å; L43-S98 WeakPolarHBondContact O-CB 3.49Å; L43-L99 HydrophobicContact CB-CB 4.47Å; L43-L99 HydrophobicContact CD1-CD2 4.33Å; L43-L99 PolarHBondContact N-O 2.82Å; L43-L99 PolarHBondContact O-N 2.86Å; L43-I101 HydrophobicContact CD1-CD1 4.08Å; L43-Y112 HydrophobicContact CD1-CD1 3.83Å; L43-Y112 HydrophobicContact CD1-CD2 3.91Å; L43-Y112 HydrophobicContact CD1-CE1 4.47Å; L43-Y112 HydrophobicContact CD1-CG 3.51Å; L43-M128 HydrophobicContact CD2-CB 4.05Å; L43-M128 HydrophobicContact CD2-CG 3.76Å
44H91.8Very high85Confident101 Ų10159.8 Ų59.847%0.46833%0.329SS..  trans-76.4143.2-178.3-173.575.2000111.7T42 Q96 S98T42-H44 PolarHBondContact O-N 2.81Å; H44-Q96 PolarHBondContact CE1-OE1 2.82Å; H44-Q96 VanDerWaalsContact CE1-OE1 3.25Å; H44-S98 PolarHBondContact ND1-OG 2.77Å
45C89.8Confident85Confident0 Ų055.4 Ų55.40%030%0.302CS..  trans-134.6115.9171.6-179.80000111.8L47 W57 Q96 C97 C114C45-L47 PolarHBondContact O-N 2.95Å; C45-L47 VanDerWaalsContact SG-CD1 3.55Å; C45-W57 HydrophobicContact CB-CH2 4.14Å; C45-W57 HydrophobicContact CB-CZ2 3.52Å; C45-Q96 WeakPolarHBondContact O-CA 3.43Å; C45-C97 WeakPolarHBondContact CB-O 3.35Å; C45-C97 PolarHBondContact O-N 3.49Å; C45-C97 VanDerWaalsContact O-N 3.11Å; C45-C114 HydrophobicContact CB-CB 3.54Å; C45-C114 WeakPolarHBondContact CB-SG 3.47Å; C45-C114 WeakPolarHBondContact SG-CB 3.4Å; C45-C114 CovalentContact SG-SG 2.02Å; C45-C114 PolarHBondContact SG-SG 3.49Å
46P86.6Confident85.1Confident62 Ų6257.3 Ų57.340%0.40331%0.308SS..  trans-82.778.2-178.934.6-34.2000110.6
47L82.1Confident85.3Confident0 Ų052.2 Ų52.20%028%0.283CS..  trans-118.9116171.8-77.8172.2000109C45 R52 F55 S95 Q96 A125C45-L47 PolarHBondContact O-N 2.95Å; C45-L47 VanDerWaalsContact SG-CD1 3.55Å; L47-R52 HydrophobicContact CB-CB 4.49Å; L47-R52 HydrophobicContact CB-CG 4.4Å; L47-R52 HydrophobicContact CD1-CG 4.43Å; L47-R52 PolarHBondContact O-NE 3.4Å; L47-R52 PolarHBondContact O-NH2 3.22Å; L47-F55 HydrophobicContact CD1-CB 3.96Å; L47-S95 CarbonylContact C-O 3.25Å; L47-S95 CarbonylContact O-C 3.51Å; L47-S95 VanDerWaalsContact O-C 3.25Å; L47-S95 VanDerWaalsContact O-O 3.1Å; L47-Q96 PolarHBondContact O-N 3.34Å; L47-A125 HydrophobicContact CD1-CB 4.39Å; L47-A125 HydrophobicContact CD2-CB 3.65Å; L47-A125 HydrophobicContact CG-CB 3.76Å
48S73.1Confident85.5Confident30 Ų3050.7 Ų50.721%0.2127%0.271CS..  trans-70.1151.1173.466.90000111.9T50 E51 R52S48-T50 WeakPolarHBondContact CB-OG1 3.47Å; S48-T50 PolarHBondContact O-N 3.04Å; S48-T50 VanDerWaalsContact O-N 3.16Å; S48-T50 PolarHBondContact OG-OG1 3.12Å; S48-E51 WeakPolarHBondContact CB-OE2 3.48Å; S48-E51 PolarHBondContact N-OE2 3.12Å; S48-E51 VanDerWaalsContact N-OE2 3.14Å; S48-E51 PolarHBondContact O-N 3.27Å; S48-E51 VanDerWaalsContact OG-CG 3.27Å; S48-E51 WeakPolarHBondContact OG-CG 3.41Å; S48-E51 PolarHBondContact OG-N 2.81Å; S48-E51 PolarHBondContact OG-OE2 2.93Å; S48-R52 WeakPolarHBondContact O-CB 3.33Å; S48-R52 PolarHBondContact O-N 2.83Å
49K69Low85.8Confident107 Ų10749.6 Ų49.647%0.46526%0.255SS..THydrogen-bonded Turntrans-53-33.3171.8-89.5-176.9178.8173.70112.8R52 D94K49-R52 PolarHBondContact O-N 3.45Å; K49-D94 HydrophobicContact CD-CB 4.43Å; K49-D94 VanDerWaalsContact CD-OD1 3.31Å; K49-D94 WeakPolarHBondContact CD-OD1 3.37Å; K49-D94 WeakPolarHBondContact CE-OD1 3.36Å; K49-D94 PolarHBondContact N-O 3.01Å; K49-D94 IonicContact NZ-OD1 2.87Å; K49-D94 PolarHBondContact NZ-OD1 2.98Å
50T66.9Low85.8Confident129 Ų12952.5 Ų52.579%0.79126%0.263SS*.THydrogen-bonded Turntrans-66.7-33.8177.133.20000113.7S48S48-T50 WeakPolarHBondContact CB-OG1 3.47Å; S48-T50 PolarHBondContact O-N 3.04Å; S48-T50 VanDerWaalsContact O-N 3.16Å; S48-T50 PolarHBondContact OG-OG1 3.12Å
51E66.1Low85.4Confident75 Ų7548.3 Ų48.335%0.3524%0.241SC..THydrogen-bonded Turntrans-85-27.2175.5-66.516510600112.5S48 K53 G117 R123S48-E51 WeakPolarHBondContact CB-OE2 3.48Å; S48-E51 PolarHBondContact N-OE2 3.12Å; S48-E51 VanDerWaalsContact N-OE2 3.14Å; S48-E51 PolarHBondContact O-N 3.27Å; S48-E51 VanDerWaalsContact OG-CG 3.27Å; S48-E51 WeakPolarHBondContact OG-CG 3.41Å; S48-E51 PolarHBondContact OG-N 2.81Å; S48-E51 PolarHBondContact OG-OE2 2.93Å; E51-K53 PolarHBondContact O-N 3.02Å; E51-K53 VanDerWaalsContact O-N 3.13Å; E51-G117 CarbonylContact O-C 3.56Å; E51-G117 VanDerWaalsContact O-C 3.23Å; E51-G117 WeakPolarHBondContact O-CA 3.38Å; E51-R123 IonicContact OE1-CZ 2.62Å; E51-R123 IonicContact OE1-NE 3.79Å; E51-R123 IonicContact OE1-NH2 2.63Å; E51-R123 PolarHBondContact OE1-NH2 3.45Å; E51-R123 IonicContact OE2-NH2 2.66Å
52R66.8Low84.7Confident11 Ų1153.5 Ų53.54%0.04227%0.269CS..  trans-90.462.1-163.8-161.6-158.6-50.4153.26.2113.8L47 S48 K49 F54 F55 L74 G93 Q96 C97L47-R52 HydrophobicContact CB-CB 4.49Å; L47-R52 HydrophobicContact CB-CG 4.4Å; L47-R52 HydrophobicContact CD1-CG 4.43Å; L47-R52 PolarHBondContact O-NE 3.4Å; L47-R52 PolarHBondContact O-NH2 3.22Å; S48-R52 WeakPolarHBondContact O-CB 3.33Å; S48-R52 PolarHBondContact O-N 2.83Å; K49-R52 PolarHBondContact O-N 3.45Å; R52-F54 VanDerWaalsContact C-N 3.33Å; R52-F55 HydrophobicContact CG-CB 3.8Å; R52-F55 HydrophobicContact CG-CD1 3.77Å; R52-F55 HydrophobicContact CG-CG 4.1Å; R52-L74 WeakPolarHBondContact O-CD2 3.25Å; R52-G93 PolarHBondContact NH1-O 3.13Å; R52-G93 PolarHBondContact NH2-O 3.19Å; R52-Q96 VanDerWaalsContact NH2-C 3.29Å; R52-Q96 PolarHBondContact NH2-O 2.72Å; R52-C97 VanDerWaalsContact CD-SG 3.54Å; R52-C97 VanDerWaalsContact CZ-SG 3.53Å; R52-C97 PolarHBondContact NH1-SG 2.93Å
53K79.4Confident83.7Confident116 Ų11654.2 Ų54.250%0.50429%0.291SS..SBendtrans-66.6-39.2168.1-71.2-167.3176.5-174.90111.8E51 S73 L74 G117 T118E51-K53 PolarHBondContact O-N 3.02Å; E51-K53 VanDerWaalsContact O-N 3.13Å; K53-S73 VanDerWaalsContact O-CA 3.32Å; K53-S73 WeakPolarHBondContact O-CA 3.45Å; K53-L74 HydrophobicContact CG-CD1 4.23Å; K53-G117 PolarHBondContact N-O 2.88Å; K53-T118 HydrophobicContact CD-CG2 4.2Å; K53-T118 HydrophobicContact CG-CG2 4.47Å
54F86.3Confident83Confident78 Ų7860 Ų6034%0.34232%0.318SS..EExtended strand (participates in β ladder)trans-134147170.5-56.1-80.9000109.3R52 Y56 G72 G116 G117 A119R52-F54 VanDerWaalsContact C-N 3.33Å; F54-Y56 HydrophobicContact CB-CE2 4Å; F54-G72 CarbonylContact C-O 3.58Å; F54-G72 WeakPolarHBondContact CA-O 3.27Å; F54-G116 VanDerWaalsContact O-CA 3.27Å; F54-G116 WeakPolarHBondContact O-CA 3.28Å; F54-G117 PolarHBondContact N-O 2.04Å; F54-G117 PolarHBondContact O-N 2.83Å; F54-A119 HydrophobicContact CE2-CB 4.06Å
55F89.5Confident82.6Confident1 Ų163.5 Ų63.50%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-144.2156.7169.375.4-83.9000111.6L47 R52 G72 Q77 L90 C97 Q115L47-F55 HydrophobicContact CD1-CB 3.96Å; R52-F55 HydrophobicContact CG-CB 3.8Å; R52-F55 HydrophobicContact CG-CD1 3.77Å; R52-F55 HydrophobicContact CG-CG 4.1Å; F55-G72 WeakPolarHBondContact CD1-O 2.97Å; F55-G72 VanDerWaalsContact CE1-CA 3.43Å; F55-G72 PolarHBondContact N-O 2.97Å; F55-G72 PolarHBondContact O-N 2.86Å; F55-Q77 HydrophobicContact CE1-CG 4.03Å; F55-Q77 HydrophobicContact CZ-CB 4.48Å; F55-Q77 HydrophobicContact CZ-CG 3.85Å; F55-L90 HydrophobicContact CE2-CD2 4.47Å; F55-C97 HydrophobicContact CD2-CB 4.2Å; F55-C97 VanDerWaalsContact CE1-SG 3.53Å; F55-C97 HydrophobicContact CE2-CB 4.26Å; F55-C97 VanDerWaalsContact CE2-SG 3.57Å; F55-C97 HydrophobicContact CG-CB 4.5Å; F55-C97 WeakPolarHBondContact CZ-SG 3.42Å; F55-Q115 CarbonylContact C-O 3.57Å; F55-Q115 WeakPolarHBondContact CA-O 3.18Å; F55-Q115 WeakPolarHBondContact CB-O 3.37Å
56Y92.4Very high82.7Confident64 Ų6467.3 Ų67.325%0.25136%0.356SS..EExtended strand (participates in β ladder)trans-140.7138.4-176.5-56.8-89.2000109.5F54 Y58 A70 T71 C114 Q115F54-Y56 HydrophobicContact CB-CE2 4Å; Y56-Y58 VanDerWaalsContact CB-CE2 3.43Å; Y56-Y58 HydrophobicContact CG-CE2 4.22Å; Y56-A70 WeakPolarHBondContact CA-O 3.32Å; Y56-T71 HydrophobicContact CD1-CG2 3.78Å; Y56-T71 HydrophobicContact CE1-CG2 3.89Å; Y56-C114 WeakPolarHBondContact O-CA 3.27Å; Y56-Q115 PolarHBondContact N-O 3.16Å; Y56-Q115 PolarHBondContact O-N 2.83Å
57W95.5Very high83.2Confident3 Ų366.9 Ų66.91%0.01135%0.349CS..EExtended strand (participates in β ladder)trans-107.7129.9161.6-83.598.2000109.2L43 C45 V69 A70 C97 L99 F113 C114L43-W57 HydrophobicContact CB-CH2 3.57Å; L43-W57 HydrophobicContact CB-CZ2 4.27Å; L43-W57 HydrophobicContact CB-CZ3 3.97Å; L43-W57 HydrophobicContact CD1-CZ3 4.3Å; L43-W57 VanDerWaalsContact O-CZ2 3.29Å; L43-W57 WeakPolarHBondContact O-CZ2 3.4Å; C45-W57 HydrophobicContact CB-CH2 4.14Å; C45-W57 HydrophobicContact CB-CZ2 3.52Å; W57-V69 HydrophobicContact CB-CB 4.19Å; W57-V69 WeakPolarHBondContact O-CB 3.4Å; W57-V69 PolarHBondContact O-N 3.14Å; W57-A70 HydrophobicContact CB-CB 4.15Å; W57-A70 PolarHBondContact N-O 2.94Å; W57-A70 PolarHBondContact O-N 2.84Å; W57-C97 PolarHBondContact NE1-O 2.89Å; W57-L99 HydrophobicContact CB-CD2 4.23Å; W57-L99 HydrophobicContact CD2-CB 3.76Å; W57-L99 HydrophobicContact CD2-CD2 4.09Å; W57-L99 HydrophobicContact CE3-CB 4.32Å; W57-L99 HydrophobicContact CE3-CD2 4.19Å; W57-L99 HydrophobicContact CG-CB 4.03Å; W57-L99 HydrophobicContact CG-CD2 4.14Å; W57-L99 HydrophobicContact CH2-CB 4.48Å; W57-L99 HydrophobicContact CZ2-CB 3.94Å; W57-F113 WeakPolarHBondContact CA-O 2.99Å; W57-C114 HydrophobicContact CD2-CB 4.1Å; W57-C114 HydrophobicContact CE3-CB 4.07Å; W57-C114 HydrophobicContact CH2-CB 3.81Å; W57-C114 HydrophobicContact CZ2-CB 3.83Å; W57-C114 HydrophobicContact CZ3-CB 3.92Å
58Y96.1Very high83.8Confident36 Ų3669.5 Ų69.514%0.14137%0.365CS..EExtended strand (participates in β ladder)trans-116.8150.4176-60.5-76.2000111.1Y56 L66 Q67 T68 Y112 F113 Q115 F124Y56-Y58 VanDerWaalsContact CB-CE2 3.43Å; Y56-Y58 HydrophobicContact CG-CE2 4.22Å; Y58-L66 HydrophobicContact CD1-CD2 3.71Å; Y58-L66 HydrophobicContact CD1-CG 3.95Å; Y58-L66 HydrophobicContact CD2-CD2 4.32Å; Y58-L66 HydrophobicContact CE1-CD2 4.27Å; Y58-L66 HydrophobicContact CG-CD1 4.41Å; Y58-L66 HydrophobicContact CG-CD2 3.74Å; Y58-L66 HydrophobicContact CG-CG 4.04Å; Y58-Q67 CarbonylContact C-O 3.57Å; Y58-Q67 VanDerWaalsContact CA-O 3.27Å; Y58-Q67 WeakPolarHBondContact CA-O 3.48Å; Y58-T68 HydrophobicContact CE1-CG2 4.3Å; Y58-T68 WeakPolarHBondContact CE1-OG1 3.44Å; Y58-Y112 CarbonylContact O-C 3.51Å; Y58-Y112 VanDerWaalsContact O-CA 3.25Å; Y58-Y112 WeakPolarHBondContact O-CA 3.27Å; Y58-F113 PolarHBondContact N-O 3.41Å; Y58-F113 PolarHBondContact O-N 2.89Å; Y58-Q115 HydrophobicContact CE2-CB 4.04Å; Y58-Q115 PolarHBondContact OH-OE1 2.95Å; Y58-F124 HydrophobicContact CD2-CE1 4.29Å; Y58-F124 HydrophobicContact CE2-CE1 4.49Å
59K96.4Very high84.9Confident14 Ų1468.1 Ų68.16%0.06136%0.355CS..EExtended strand (participates in β ladder)trans-118.3128170.3-179.4-176.5-176.4-177.30108.2P61 Q67 V69 F83 E107 D108 A110 Y112K59-P61 HydrophobicContact CG-CG 4.4Å; K59-Q67 HydrophobicContact CB-CB 4.49Å; K59-Q67 PolarHBondContact N-O 3.28Å; K59-Q67 PolarHBondContact O-N 2.61Å; K59-V69 HydrophobicContact CB-CG2 3.53Å; K59-F83 HydrophobicContact CD-CE1 3.94Å; K59-F83 HydrophobicContact CD-CZ 4.04Å; K59-E107 WeakPolarHBondContact CE-O 3.21Å; K59-E107 PolarHBondContact NZ-O 3.45Å; K59-D108 IonicContact NZ-OD1 3.85Å; K59-A110 HydrophobicContact CD-CB 4.2Å; K59-A110 HydrophobicContact CG-CB 3.46Å; K59-A110 VanDerWaalsContact CG-CB 3.46Å; K59-Y112 HydrophobicContact CB-CD1 4.11Å; K59-Y112 HydrophobicContact CB-CE1 3.81Å; K59-Y112 HydrophobicContact CD-CE1 4.08Å; K59-Y112 WeakPolarHBondContact CD-OH 3.36Å; K59-Y112 WeakPolarHBondContact CE-OH 3.26Å; K59-Y112 HydrophobicContact CG-CD1 4.39Å; K59-Y112 HydrophobicContact CG-CE1 3.8Å; K59-Y112 HydrophobicContact CG-CE2 4.38Å
60Q94Very high86.1Confident83 Ų8363 Ų6339%0.38833%0.333SS..EExtended strand (participates in β ladder)trans-115.393.3172.2-165.5179.71200108.7L66 A110 T111 F113Q60-L66 HydrophobicContact CB-CD1 3.69Å; Q60-L66 HydrophobicContact CG-CD1 4.22Å; Q60-A110 WeakPolarHBondContact O-CB 3.28Å; Q60-T111 PolarHBondContact N-O 2.83Å; Q60-T111 PolarHBondContact O-N 3.3Å; Q60-F113 HydrophobicContact CB-CE2 4.14Å
61P87.3Confident87.3Confident20 Ų2059.4 Ų59.413%0.1331%0.31CS..  trans-65.4145.6169.4-8.924.3000109.4K59 G63 H64K59-P61 HydrophobicContact CG-CG 4.4Å; P61-G63 PolarHBondContact O-N 3Å; P61-H64 HydrophobicContact CB-CB 3.97Å; P61-H64 HydrophobicContact CG-CB 4.07Å; P61-H64 PolarHBondContact O-N 3.05Å; P61-H64 VanDerWaalsContact O-N 3.08Å
62L80.7Confident88.2Confident116 Ų11656.2 Ų56.261%0.60730%0.298SS*.THydrogen-bonded Turntrans-58.5131.3179.1-67.4174.5000110.6H64 Y129L62-H64 PolarHBondContact O-N 3.44Å; L62-H64 PolarHBondContact O-ND1 3.03Å; L62-Y129 HydrophobicContact CD1-CE2 4.41Å; L62-Y129 HydrophobicContact CG-CE2 4.49Å
63G73.8Confident88.9Confident89 Ų8957.2 Ų57.292%0.91831%0.306SS*.THydrogen-bonded Turntrans73.23.5-178.100000116.1P61P61-G63 PolarHBondContact O-N 3Å
64H79.4Confident88.6Confident126 Ų12657 Ų5758%0.58331%0.31SS*.SBendtrans-117.2163.1-177.2-64.776.6000112.3P61 L62P61-H64 HydrophobicContact CB-CB 3.97Å; P61-H64 HydrophobicContact CG-CB 4.07Å; P61-H64 PolarHBondContact O-N 3.05Å; P61-H64 VanDerWaalsContact O-N 3.08Å; L62-H64 PolarHBondContact O-N 3.44Å; L62-H64 PolarHBondContact O-ND1 3.03Å
65M83.9Confident87.9Confident173 Ų17359.2 Ų59.285%0.85233%0.33SS*.  trans-68.6155.4172.1-75.3-163.6176.300112.1Q67M65-Q67 PolarHBondContact O-N 2.02Å
66L92.2Very high87.4Confident81 Ų8166.1 Ų66.142%0.42436%0.363SS..  trans-62.8130.1175.9-163.972000110.9Y58 Q60 F113Y58-L66 HydrophobicContact CD1-CD2 3.71Å; Y58-L66 HydrophobicContact CD1-CG 3.95Å; Y58-L66 HydrophobicContact CD2-CD2 4.32Å; Y58-L66 HydrophobicContact CE1-CD2 4.27Å; Y58-L66 HydrophobicContact CG-CD1 4.41Å; Y58-L66 HydrophobicContact CG-CD2 3.74Å; Y58-L66 HydrophobicContact CG-CG 4.04Å; Q60-L66 HydrophobicContact CB-CD1 3.69Å; Q60-L66 HydrophobicContact CG-CD1 4.22Å; L66-F113 HydrophobicContact CD1-CD2 4.22Å
67Q95.5Very high87Confident53 Ų5367.5 Ų67.525%0.24837%0.371CS..EExtended strand (participates in β ladder)trans-110.2132.3179-66171.6-7.600109.8Y58 K59 M65 V69 F83Y58-Q67 CarbonylContact C-O 3.57Å; Y58-Q67 VanDerWaalsContact CA-O 3.27Å; Y58-Q67 WeakPolarHBondContact CA-O 3.48Å; K59-Q67 HydrophobicContact CB-CB 4.49Å; K59-Q67 PolarHBondContact N-O 3.28Å; K59-Q67 PolarHBondContact O-N 2.61Å; M65-Q67 PolarHBondContact O-N 2.02Å; Q67-V69 PolarHBondContact O-N 2.88Å; Q67-F83 HydrophobicContact CB-CE2 4.34Å; Q67-F83 HydrophobicContact CB-CZ 4.35Å
68T96.1Very high86.7Confident55 Ų5573.5 Ų73.534%0.33740%0.398SS..EExtended strand (participates in β ladder)trans-76.7114.1171.8-52.20000109.3Y58 T71 S80Y58-T68 HydrophobicContact CE1-CG2 4.3Å; Y58-T68 WeakPolarHBondContact CE1-OG1 3.44Å; T68-T71 HydrophobicContact CG2-CG2 3.67Å; T68-S80 WeakPolarHBondContact O-CB 3.22Å; T68-S80 PolarHBondContact O-OG 2.86Å
69V96.2Very high86.6Confident0 Ų072.9 Ų72.90%040%0.397CS..EExtended strand (participates in β ladder)trans-81.9-47.1175.8179.90000110.3W57 K59 Q67 L79 S80 F83 F88 L99 Y112W57-V69 HydrophobicContact CB-CB 4.19Å; W57-V69 WeakPolarHBondContact O-CB 3.4Å; W57-V69 PolarHBondContact O-N 3.14Å; K59-V69 HydrophobicContact CB-CG2 3.53Å; Q67-V69 PolarHBondContact O-N 2.88Å; V69-L79 HydrophobicContact CG1-CD2 4.43Å; V69-S80 WeakPolarHBondContact O-CB 3.5Å; V69-S80 PolarHBondContact O-N 2.91Å; V69-F83 HydrophobicContact CB-CD1 4.44Å; V69-F83 HydrophobicContact CB-CD2 4.4Å; V69-F83 HydrophobicContact CB-CG 4.29Å; V69-F83 HydrophobicContact CG1-CB 4.05Å; V69-F83 HydrophobicContact CG1-CD1 3.89Å; V69-F83 HydrophobicContact CG1-CD2 4.45Å; V69-F83 HydrophobicContact CG1-CE1 4.49Å; V69-F83 HydrophobicContact CG1-CG 3.86Å; V69-F83 HydrophobicContact CG2-CD1 4.21Å; V69-F83 HydrophobicContact CG2-CD2 4.46Å; V69-F83 HydrophobicContact CG2-CE1 4Å; V69-F83 HydrophobicContact CG2-CE2 4.25Å; V69-F83 HydrophobicContact CG2-CG 4.44Å; V69-F83 HydrophobicContact CG2-CZ 4.02Å; V69-F88 HydrophobicContact CG1-CD1 4.04Å; V69-F88 HydrophobicContact CG1-CE1 4.45Å; V69-L99 HydrophobicContact CG1-CD1 4.22Å; V69-L99 HydrophobicContact CG1-CD2 3.87Å; V69-Y112 HydrophobicContact CG2-CE1 4.29Å
70A93.6Very high86.4Confident0 Ų074.4 Ų74.40%041%0.409CS..EExtended strand (participates in β ladder)trans-145.4152.2-17900000112.1Y56 W57 K78 L79 L90Y56-A70 WeakPolarHBondContact CA-O 3.32Å; W57-A70 HydrophobicContact CB-CB 4.15Å; W57-A70 PolarHBondContact N-O 2.94Å; W57-A70 PolarHBondContact O-N 2.84Å; A70-K78 WeakPolarHBondContact CA-O 3.42Å; A70-L79 HydrophobicContact CB-CD2 4.2Å; A70-L90 HydrophobicContact CB-CD1 3.64Å; A70-L90 HydrophobicContact CB-CD2 3.69Å; A70-L90 HydrophobicContact CB-CG 4.16Å
71T91.4Very high86.2Confident53 Ų5378.1 Ų78.133%0.32543%0.426SS..EExtended strand (participates in β ladder)trans-124.8153.8165.968.90000109Y56 T68 K78Y56-T71 HydrophobicContact CD1-CG2 3.78Å; Y56-T71 HydrophobicContact CE1-CG2 3.89Å; T68-T71 HydrophobicContact CG2-CG2 3.67Å; T71-K78 PolarHBondContact N-O 3.36Å; T71-K78 PolarHBondContact O-N 2.76Å; T71-K78 VanDerWaalsContact O-O 3.11Å
72G85.4Confident86.3Confident8 Ų883.3 Ų83.38%0.08245%0.449CS..EExtended strand (participates in β ladder)trans-164161.217000000113.6F54 F55 E76F54-G72 CarbonylContact C-O 3.58Å; F54-G72 WeakPolarHBondContact CA-O 3.27Å; F55-G72 WeakPolarHBondContact CD1-O 2.97Å; F55-G72 VanDerWaalsContact CE1-CA 3.43Å; F55-G72 PolarHBondContact N-O 2.97Å; F55-G72 PolarHBondContact O-N 2.86Å; G72-E76 CarbonylContact C-O 3.59Å; G72-E76 VanDerWaalsContact CA-O 3.26Å; G72-E76 WeakPolarHBondContact CA-O 3.47Å
73S80.9Confident86.8Confident32 Ų3278.1 Ų78.122%0.22442%0.422CS..EExtended strand (participates in β ladder)trans-123.3-171.2177.272.90000109.7K53 T75 E76K53-S73 VanDerWaalsContact O-CA 3.32Å; K53-S73 WeakPolarHBondContact O-CA 3.45Å; S73-T75 PolarHBondContact O-N 3.2Å; S73-T75 PolarHBondContact OG-N 2.8Å; S73-T75 VanDerWaalsContact OG-N 3.14Å; S73-T75 PolarHBondContact OG-OG1 2.88Å; S73-T75 VanDerWaalsContact OG-OG1 3.12Å; S73-E76 PolarHBondContact N-O 2.95Å; S73-E76 PolarHBondContact OG-N 3.26Å; S73-E76 VanDerWaalsContact OG-N 3.13Å
74L73.3Confident87.6Confident111 Ų11179.4 Ų79.458%0.58141%0.407SS*.SBendtrans-64.9-23.4170.1-70.9167.9000113.7R52 K53R52-L74 WeakPolarHBondContact O-CD2 3.25Å; K53-L74 HydrophobicContact CG-CD1 4.23Å
75T71.8Confident88.1Confident125 Ų12576.1 Ų76.177%0.76739%0.394SS*.SBendtrans-108.7-31.8-172.255.70000113.4S73S73-T75 PolarHBondContact O-N 3.2Å; S73-T75 PolarHBondContact OG-N 2.8Å; S73-T75 VanDerWaalsContact OG-N 3.14Å; S73-T75 PolarHBondContact OG-OG1 2.88Å; S73-T75 VanDerWaalsContact OG-OG1 3.12Å
76E79.7Confident88.4Confident147 Ų14775.2 Ų75.269%0.68739%0.393SS*.  trans-137.6151.3-172.1-67.6-176.2-178.700111.8G72 S73G72-E76 CarbonylContact C-O 3.59Å; G72-E76 VanDerWaalsContact CA-O 3.26Å; G72-E76 WeakPolarHBondContact CA-O 3.47Å; S73-E76 PolarHBondContact N-O 2.95Å; S73-E76 PolarHBondContact OG-N 3.26Å; S73-E76 VanDerWaalsContact OG-N 3.13Å
77Q83.6Confident88.5Confident92 Ų9274.1 Ų74.143%0.4338%0.383SS..EExtended strand (participates in β ladder)trans-135.8128.8175.8-61.1175.862.500107.9F55 L90 A92F55-Q77 HydrophobicContact CE1-CG 4.03Å; F55-Q77 HydrophobicContact CZ-CB 4.48Å; F55-Q77 HydrophobicContact CZ-CG 3.85Å; Q77-L90 HydrophobicContact CB-CD1 4.09Å; Q77-A92 VanDerWaalsContact NE2-CB 3.29Å
78K90Very high88.5Confident130 Ų13071.8 Ų71.857%0.56537%0.372SS*.EExtended strand (participates in β ladder)trans-133.4124.7-174.3-178.2170.4179.1-177.20110.4A70 T71A70-K78 WeakPolarHBondContact CA-O 3.42Å; T71-K78 PolarHBondContact N-O 3.36Å; T71-K78 PolarHBondContact O-N 2.76Å; T71-K78 VanDerWaalsContact O-O 3.11Å
79L93.2Very high88.3Confident23 Ų2371.9 Ų71.912%0.1237%0.371CS..EExtended strand (participates in β ladder)trans-72.4138.5162.8-72.1162.4000108.9V69 A70 F83 N84 F88 L90V69-L79 HydrophobicContact CG1-CD2 4.43Å; A70-L79 HydrophobicContact CB-CD2 4.2Å; L79-F83 HydrophobicContact CD2-CB 4.43Å; L79-N84 HydrophobicContact CB-CB 4.09Å; L79-F88 HydrophobicContact CD1-CB 4.2Å; L79-F88 VanDerWaalsContact CD1-O 3.31Å; L79-F88 WeakPolarHBondContact CD1-O 2.98Å; L79-F88 HydrophobicContact CD2-CB 3.89Å; L79-L90 HydrophobicContact CD2-CD1 4.38Å; L79-L90 HydrophobicContact CD2-CG 4.32Å; L79-L90 HydrophobicContact CG-CD1 4.36Å
80S92.5Very high88.1Confident46 Ų4673.7 Ų73.732%0.32238%0.38SS..  trans-63151.7170.1-178.10000109.9T68 V69 Q82 F83 N84T68-S80 WeakPolarHBondContact O-CB 3.22Å; T68-S80 PolarHBondContact O-OG 2.86Å; V69-S80 WeakPolarHBondContact O-CB 3.5Å; V69-S80 PolarHBondContact O-N 2.91Å; S80-Q82 VanDerWaalsContact C-N 3.29Å; S80-Q82 PolarHBondContact O-N 3.25Å; S80-F83 CarbonylContact O-C 3.59Å; S80-F83 WeakPolarHBondContact O-CA 3.45Å; S80-F83 PolarHBondContact O-N 2.68Å; S80-N84 PolarHBondContact O-N 3.18Å
81E89.4Confident87.7Confident161 Ų16176.9 Ų76.975%0.75240%0.4SS*.G310 helixtrans-56.5-40.5-167.1-64.9178.7176.700113.2F83 N84E81-F83 PolarHBondContact O-N 2.87Å; E81-N84 PolarHBondContact O-N 3.34Å
82Q89.2Confident87Confident129 Ų12976.3 Ų76.360%0.60340%0.4SS*.G310 helixtrans-61.2-28.8175.1-175.2179.41100113.5S80S80-Q82 VanDerWaalsContact C-N 3.29Å; S80-Q82 PolarHBondContact O-N 3.25Å
83F92Very high86.5Confident7 Ų777.1 Ų77.13%0.03141%0.409CS..G310 helixtrans-105.5-3.1-176.5-59.9-86.5000112.7K59 Q67 V69 L79 S80 E81 N85 F88K59-F83 HydrophobicContact CD-CE1 3.94Å; K59-F83 HydrophobicContact CD-CZ 4.04Å; Q67-F83 HydrophobicContact CB-CE2 4.34Å; Q67-F83 HydrophobicContact CB-CZ 4.35Å; V69-F83 HydrophobicContact CB-CD1 4.44Å; V69-F83 HydrophobicContact CB-CD2 4.4Å; V69-F83 HydrophobicContact CB-CG 4.29Å; V69-F83 HydrophobicContact CG1-CB 4.05Å; V69-F83 HydrophobicContact CG1-CD1 3.89Å; V69-F83 HydrophobicContact CG1-CD2 4.45Å; V69-F83 HydrophobicContact CG1-CE1 4.49Å; V69-F83 HydrophobicContact CG1-CG 3.86Å; V69-F83 HydrophobicContact CG2-CD1 4.21Å; V69-F83 HydrophobicContact CG2-CD2 4.46Å; V69-F83 HydrophobicContact CG2-CE1 4Å; V69-F83 HydrophobicContact CG2-CE2 4.25Å; V69-F83 HydrophobicContact CG2-CG 4.44Å; V69-F83 HydrophobicContact CG2-CZ 4.02Å; L79-F83 HydrophobicContact CD2-CB 4.43Å; S80-F83 CarbonylContact O-C 3.59Å; S80-F83 WeakPolarHBondContact O-CA 3.45Å; S80-F83 PolarHBondContact O-N 2.68Å; E81-F83 PolarHBondContact O-N 2.87Å; F83-N85 PolarHBondContact O-N 2.71Å; F83-F88 HydrophobicContact CB-CD2 4.37Å; F83-F88 HydrophobicContact CB-CG 4.32Å; F83-F88 HydrophobicContact CD1-CD1 4.14Å; F83-F88 HydrophobicContact CD1-CD2 4.21Å; F83-F88 AromaticContact CD1-CE1 3.82Å; F83-F88 HydrophobicContact CD1-CE1 3.82Å; F83-F88 AromaticContact CD1-CE2 3.91Å; F83-F88 HydrophobicContact CD1-CE2 3.91Å; F83-F88 HydrophobicContact CD1-CG 4.34Å; F83-F88 AromaticContact CD1-CZ 3.72Å; F83-F88 HydrophobicContact CD1-CZ 3.72Å; F83-F88 HydrophobicContact CE1-CE1 4.33Å; F83-F88 HydrophobicContact CE1-CZ 4.15Å; F83-F88 WeakPolarHBondContact O-CB 3.43Å
84N90.3Very high86Confident115 Ų11581 Ų8162%0.61543%0.427SS*.  trans-78.969179.8-171.632.8000111.1L79 S80 E81L79-N84 HydrophobicContact CB-CB 4.09Å; S80-N84 PolarHBondContact O-N 3.18Å; E81-N84 PolarHBondContact O-N 3.34Å
85N89.8Confident86Confident58 Ų5879.5 Ų79.531%0.3143%0.426SS..SBendtrans-143164.9178.565.367.6000109.8F83 R87 F88F83-N85 PolarHBondContact O-N 2.71Å; N85-R87 PolarHBondContact O-N 2.93Å; N85-R87 WeakPolarHBondContact OD1-CB 3.36Å; N85-R87 WeakPolarHBondContact OD1-CG 3.33Å; N85-R87 PolarHBondContact OD1-N 2.98Å; N85-F88 PolarHBondContact O-N 2.04Å
86N90.2Very high86.4Confident154 Ų15476.4 Ų76.482%0.82440%0.402SS*.THydrogen-bonded Turntrans-60.6-11.9-172.8-62.8-9.3000115N89N86-N89 PolarHBondContact O-ND2 3Å
87R95.2Very high86.7Confident57 Ų5769.5 Ų69.522%0.21537%0.37CS..THydrogen-bonded Turntrans-74.1-43.3177.1-53.9-160.3-55132.75.5112N85 I101 K102 N103 D108N85-R87 PolarHBondContact O-N 2.93Å; N85-R87 WeakPolarHBondContact OD1-CB 3.36Å; N85-R87 WeakPolarHBondContact OD1-CG 3.33Å; N85-R87 PolarHBondContact OD1-N 2.98Å; R87-I101 CarbonylContact O-C 3.23Å; R87-K102 VanDerWaalsContact CB-O 3.28Å; R87-K102 WeakPolarHBondContact CB-O 2.99Å; R87-K102 PolarHBondContact O-N 2.94Å; R87-N103 PolarHBondContact NH1-O 2.81Å; R87-D108 IonicContact CZ-OD1 3.54Å; R87-D108 IonicContact CZ-OD2 3.84Å; R87-D108 IonicContact NH1-OD1 3.22Å; R87-D108 IonicContact NH1-OD2 3.84Å; R87-D108 PolarHBondContact NH1-OD2 3.21Å; R87-D108 IonicContact NH2-OD1 3.4Å; R87-D108 PolarHBondContact NH2-OD1 3.17Å; R87-D108 IonicContact NH2-OD2 2.94Å; R87-D108 PolarHBondContact NH2-OD2 3.27Å
88F94.8Very high87Confident4 Ų465.1 Ų65.12%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-94.8133.4-176.5-64.5-96.7000110.6V69 L79 F83 N85 L99 T100 I101V69-F88 HydrophobicContact CG1-CD1 4.04Å; V69-F88 HydrophobicContact CG1-CE1 4.45Å; L79-F88 HydrophobicContact CD1-CB 4.2Å; L79-F88 VanDerWaalsContact CD1-O 3.31Å; L79-F88 WeakPolarHBondContact CD1-O 2.98Å; L79-F88 HydrophobicContact CD2-CB 3.89Å; F83-F88 HydrophobicContact CB-CD2 4.37Å; F83-F88 HydrophobicContact CB-CG 4.32Å; F83-F88 HydrophobicContact CD1-CD1 4.14Å; F83-F88 HydrophobicContact CD1-CD2 4.21Å; F83-F88 AromaticContact CD1-CE1 3.82Å; F83-F88 HydrophobicContact CD1-CE1 3.82Å; F83-F88 AromaticContact CD1-CE2 3.91Å; F83-F88 HydrophobicContact CD1-CE2 3.91Å; F83-F88 HydrophobicContact CD1-CG 4.34Å; F83-F88 AromaticContact CD1-CZ 3.72Å; F83-F88 HydrophobicContact CD1-CZ 3.72Å; F83-F88 HydrophobicContact CE1-CE1 4.33Å; F83-F88 HydrophobicContact CE1-CZ 4.15Å; F83-F88 WeakPolarHBondContact O-CB 3.43Å; N85-F88 PolarHBondContact O-N 2.04Å; F88-L99 HydrophobicContact CD1-CD1 4.35Å; F88-T100 CarbonylContact C-O 3.59Å; F88-T100 WeakPolarHBondContact CA-O 3.42Å; F88-I101 HydrophobicContact CD1-CB 4.45Å; F88-I101 HydrophobicContact CD1-CD1 4.35Å; F88-I101 HydrophobicContact CD1-CG1 3.83Å; F88-I101 HydrophobicContact CD1-CG2 4.15Å; F88-I101 HydrophobicContact CE1-CB 4.28Å; F88-I101 HydrophobicContact CE1-CD1 3.77Å; F88-I101 HydrophobicContact CE1-CG1 3.7Å; F88-I101 HydrophobicContact CE1-CG2 3.69Å; F88-I101 HydrophobicContact CE2-CG2 4.38Å; F88-I101 HydrophobicContact CZ-CG2 3.8Å
89N92.6Very high87.2Confident58 Ų5859 Ų5931%0.3132%0.323SS..EExtended strand (participates in β ladder)trans-142.8140.8179.7-66.5-94000110N86 T100N86-N89 PolarHBondContact O-ND2 3Å; N89-T100 PolarHBondContact N-O 2.89Å; N89-T100 PolarHBondContact O-N 2.86Å
90L90.4Very high87.3Confident38 Ų3858.8 Ų58.820%0.19932%0.323CS..EExtended strand (participates in β ladder)trans-101.6130.5176.9-66165.1000110.2F55 A70 Q77 L79 L99F55-L90 HydrophobicContact CE2-CD2 4.47Å; A70-L90 HydrophobicContact CB-CD1 3.64Å; A70-L90 HydrophobicContact CB-CD2 3.69Å; A70-L90 HydrophobicContact CB-CG 4.16Å; Q77-L90 HydrophobicContact CB-CD1 4.09Å; L79-L90 HydrophobicContact CD2-CD1 4.38Å; L79-L90 HydrophobicContact CD2-CG 4.32Å; L79-L90 HydrophobicContact CG-CD1 4.36Å; L90-L99 HydrophobicContact CD2-CD1 3.88Å
91T86.3Confident87.5Confident67 Ų6756.6 Ų56.641%0.41131%0.308SS..EExtended strand (participates in β ladder)trans-11793.4177.5-54.20000109.8S98T91-S98 PolarHBondContact N-O 2.86Å; T91-S98 PolarHBondContact O-N 2.71Å
92A77.3Confident87.9Confident41 Ų4153.1 Ų53.134%0.33929%0.29SS..EExtended strand (participates in β ladder)trans-92.4121.3175.200000111.7Q77 Q96Q77-A92 VanDerWaalsContact NE2-CB 3.29Å; A92-Q96 WeakPolarHBondContact CA-O 3.48Å
93G74.2Confident88.1Confident25 Ų2551.6 Ų51.626%0.25829%0.286SS..  trans-114.6-172.4166.300000111.7R52 S95 Q96R52-G93 PolarHBondContact NH1-O 3.13Å; R52-G93 PolarHBondContact NH2-O 3.19Å; G93-S95 VanDerWaalsContact C-N 3.31Å; G93-S95 PolarHBondContact O-N 2.97Å; G93-Q96 PolarHBondContact N-O 2.87Å
94D70.7Confident88.2Confident113 Ų11351.3 Ų51.360%0.60429%0.285SS*.SBendtrans-64.8-33.3178.9-65.5-31.2000113.1K49K49-D94 HydrophobicContact CD-CB 4.43Å; K49-D94 VanDerWaalsContact CD-OD1 3.31Å; K49-D94 WeakPolarHBondContact CD-OD1 3.37Å; K49-D94 WeakPolarHBondContact CE-OD1 3.36Å; K49-D94 PolarHBondContact N-O 3.01Å; K49-D94 IonicContact NZ-OD1 2.87Å; K49-D94 PolarHBondContact NZ-OD1 2.98Å
95S73.4Confident88.3Confident80 Ų8047.5 Ų47.556%0.55927%0.267SS*.SBendtrans-112.5-8.4-17652.80000114.9L47 G93L47-S95 CarbonylContact C-O 3.25Å; L47-S95 CarbonylContact O-C 3.51Å; L47-S95 VanDerWaalsContact O-C 3.25Å; L47-S95 VanDerWaalsContact O-O 3.1Å; G93-S95 VanDerWaalsContact C-N 3.31Å; G93-S95 PolarHBondContact O-N 2.97Å
96Q80.1Confident88.3Confident60 Ų6049.6 Ų49.628%0.2827%0.274SS..  trans-143.1152.3-171.366.6177.550.400113.9H44 C45 L47 R52 A92 G93 S98H44-Q96 PolarHBondContact CE1-OE1 2.82Å; H44-Q96 VanDerWaalsContact CE1-OE1 3.25Å; C45-Q96 WeakPolarHBondContact O-CA 3.43Å; L47-Q96 PolarHBondContact O-N 3.34Å; R52-Q96 VanDerWaalsContact NH2-C 3.29Å; R52-Q96 PolarHBondContact NH2-O 2.72Å; A92-Q96 WeakPolarHBondContact CA-O 3.48Å; G93-Q96 PolarHBondContact N-O 2.87Å; Q96-S98 PolarHBondContact NE2-OG 3.43Å
97C85.5Confident88.3Confident1 Ų149.8 Ų49.81%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-134.570.3172.9-125.30000110.8C45 R52 F55 W57C45-C97 WeakPolarHBondContact CB-O 3.35Å; C45-C97 PolarHBondContact O-N 3.49Å; C45-C97 VanDerWaalsContact O-N 3.11Å; R52-C97 VanDerWaalsContact CD-SG 3.54Å; R52-C97 VanDerWaalsContact CZ-SG 3.53Å; R52-C97 PolarHBondContact NH1-SG 2.93Å; F55-C97 HydrophobicContact CD2-CB 4.2Å; F55-C97 VanDerWaalsContact CE1-SG 3.53Å; F55-C97 HydrophobicContact CE2-CB 4.26Å; F55-C97 VanDerWaalsContact CE2-SG 3.57Å; F55-C97 HydrophobicContact CG-CB 4.5Å; F55-C97 WeakPolarHBondContact CZ-SG 3.42Å; W57-C97 PolarHBondContact NE1-O 2.89Å
98S90.9Very high88.2Confident1 Ų147.2 Ų47.21%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-83.8145.2-168.1-470000112.1L43 H44 T91 Q96L43-S98 CarbonylContact O-C 3.58Å; L43-S98 VanDerWaalsContact O-CA 3.25Å; L43-S98 WeakPolarHBondContact O-CA 3.36Å; L43-S98 WeakPolarHBondContact O-CB 3.49Å; H44-S98 PolarHBondContact ND1-OG 2.77Å; T91-S98 PolarHBondContact N-O 2.86Å; T91-S98 PolarHBondContact O-N 2.71Å; Q96-S98 PolarHBondContact NE2-OG 3.43Å
99L94Very high88.2Confident0 Ų049.2 Ų49.20%027%0.269CS..EExtended strand (participates in β ladder)trans-103.2119.9175174.667000110.1T42 L43 W57 V69 F88 L90 I101 Y112T42-L99 CarbonylContact C-O 3.56Å; T42-L99 WeakPolarHBondContact CA-O 3.48Å; L43-L99 HydrophobicContact CB-CB 4.47Å; L43-L99 HydrophobicContact CD1-CD2 4.33Å; L43-L99 PolarHBondContact N-O 2.82Å; L43-L99 PolarHBondContact O-N 2.86Å; W57-L99 HydrophobicContact CB-CD2 4.23Å; W57-L99 HydrophobicContact CD2-CB 3.76Å; W57-L99 HydrophobicContact CD2-CD2 4.09Å; W57-L99 HydrophobicContact CE3-CB 4.32Å; W57-L99 HydrophobicContact CE3-CD2 4.19Å; W57-L99 HydrophobicContact CG-CB 4.03Å; W57-L99 HydrophobicContact CG-CD2 4.14Å; W57-L99 HydrophobicContact CH2-CB 4.48Å; W57-L99 HydrophobicContact CZ2-CB 3.94Å; V69-L99 HydrophobicContact CG1-CD1 4.22Å; V69-L99 HydrophobicContact CG1-CD2 3.87Å; F88-L99 HydrophobicContact CD1-CD1 4.35Å; L90-L99 HydrophobicContact CD2-CD1 3.88Å; L99-I101 HydrophobicContact CD2-CD1 4.47Å; L99-I101 HydrophobicContact CD2-CG1 4.43Å; L99-I101 HydrophobicContact CG-CG1 4.27Å; L99-Y112 HydrophobicContact CD2-CD1 4.15Å; L99-Y112 HydrophobicContact CD2-CE1 4.37Å
100T95.3Very high88.3Confident19 Ų1946.4 Ų46.412%0.11725%0.254CS..EExtended strand (participates in β ladder)trans-99128.3174.1-59.10000110.1I41 T42 F88 N89 K102I41-T100 CarbonylContact O-C 3.57Å; I41-T100 VanDerWaalsContact O-CA 3.29Å; I41-T100 WeakPolarHBondContact O-CA 3.47Å; T42-T100 WeakPolarHBondContact CG2-OG1 3.37Å; T42-T100 PolarHBondContact OG1-OG1 3.17Å; F88-T100 CarbonylContact C-O 3.59Å; F88-T100 WeakPolarHBondContact CA-O 3.42Å; N89-T100 PolarHBondContact N-O 2.89Å; N89-T100 PolarHBondContact O-N 2.86Å; T100-K102 HydrophobicContact CG2-CG 4.21Å
101I96.9Very high88.5Confident0 Ų045.5 Ų45.50%025%0.251CS..EExtended strand (participates in β ladder)trans-116.4124.8174.7-45.1174000107.6N40 I41 L43 R87 F88 L99 I104 Y112 L130N40-I101 CarbonylContact C-O 3.55Å; N40-I101 WeakPolarHBondContact CA-O 3.47Å; I41-I101 HydrophobicContact CG2-CB 3.87Å; I41-I101 HydrophobicContact CG2-CD1 4.29Å; I41-I101 HydrophobicContact CG2-CG1 4.2Å; I41-I101 PolarHBondContact N-O 2.89Å; I41-I101 PolarHBondContact O-N 3.31Å; L43-I101 HydrophobicContact CD1-CD1 4.08Å; R87-I101 CarbonylContact O-C 3.23Å; F88-I101 HydrophobicContact CD1-CB 4.45Å; F88-I101 HydrophobicContact CD1-CD1 4.35Å; F88-I101 HydrophobicContact CD1-CG1 3.83Å; F88-I101 HydrophobicContact CD1-CG2 4.15Å; F88-I101 HydrophobicContact CE1-CB 4.28Å; F88-I101 HydrophobicContact CE1-CD1 3.77Å; F88-I101 HydrophobicContact CE1-CG1 3.7Å; F88-I101 HydrophobicContact CE1-CG2 3.69Å; F88-I101 HydrophobicContact CE2-CG2 4.38Å; F88-I101 HydrophobicContact CZ-CG2 3.8Å; L99-I101 HydrophobicContact CD2-CD1 4.47Å; L99-I101 HydrophobicContact CD2-CG1 4.43Å; L99-I101 HydrophobicContact CG-CG1 4.27Å; I101-I104 HydrophobicContact CB-CG1 4.49Å; I101-I104 HydrophobicContact CG2-CG1 4.2Å; I101-Y112 HydrophobicContact CD1-CE1 3.8Å; I101-Y112 HydrophobicContact CD1-CE2 4.3Å; I101-L130 HydrophobicContact CD1-CD2 4.31Å
102K96.3Very high89Confident88 Ų8842.3 Ų42.338%0.38323%0.231SC..  trans-110.9151-179-58.1173.7-178.4167.40111.8N40 R87 T100N40-K102 WeakPolarHBondContact OD1-CA 3.38Å; N40-K102 WeakPolarHBondContact OD1-CB 3.25Å; R87-K102 VanDerWaalsContact CB-O 3.28Å; R87-K102 WeakPolarHBondContact CB-O 2.99Å; R87-K102 PolarHBondContact O-N 2.94Å; T100-K102 HydrophobicContact CG2-CG 4.21Å
103N94.4Very high89.9Confident98 Ų9842.2 Ų42.252%0.52422%0.223SC..SBendtrans50.359.8-179-172.633.1000110.7G39 N40 R87G39-N103 PolarHBondContact O-N 2.75Å; G39-N103 VanDerWaalsContact O-N 3.1Å; N40-N103 PolarHBondContact OD1-N 2.98Å; R87-N103 PolarHBondContact NH1-O 2.81Å
104I94.6Very high90.8Very high1 Ų141 Ų411%0.00521%0.21CC..  trans-60.5133.1-176.2-69.6165000110.1V35 V37 G38 G39 I41 I101 D108 V132V35-I104 HydrophobicContact CB-CD1 3.96Å; V35-I104 HydrophobicContact CG1-CD1 3.62Å; V35-I104 HydrophobicContact CG2-CD1 4.37Å; V37-I104 WeakPolarHBondContact CA-O 3.35Å; G38-I104 PolarHBondContact N-O 2.9Å; G39-I104 WeakPolarHBondContact O-CG1 3.04Å; G39-I104 PolarHBondContact O-N 2.89Å; I41-I104 HydrophobicContact CB-CD1 3.87Å; I41-I104 HydrophobicContact CG2-CD1 3.62Å; I41-I104 HydrophobicContact CG2-CG1 4.41Å; I101-I104 HydrophobicContact CB-CG1 4.49Å; I101-I104 HydrophobicContact CG2-CG1 4.2Å; I104-D108 HydrophobicContact CG2-CB 4.3Å; I104-V132 HydrophobicContact CG2-CB 4.28Å; I104-V132 HydrophobicContact CG2-CG1 3.78Å; I104-V132 HydrophobicContact CG2-CG2 3.46Å; I104-V132 VanDerWaalsContact CG2-CG2 3.46Å
105S92.6Very high91.8Very high34 Ų3437.2 Ų37.224%0.23819%0.189CC..  trans-113.7167.5172.279.40000110.5E107 D108S105-E107 PolarHBondContact O-N 3.49Å; S105-E107 VanDerWaalsContact O-N 3.12Å; S105-E107 PolarHBondContact OG-N 3.12Å; S105-D108 PolarHBondContact N-OD2 2.84Å; S105-D108 WeakPolarHBondContact O-CB 3.34Å; S105-D108 PolarHBondContact O-N 3.32Å; S105-D108 PolarHBondContact OG-OD2 2.88Å
106K87.9Confident92.6Very high103 Ų10333.4 Ų33.445%0.44816%0.162SC..G310 helixtrans-61.4-21.4177.5-168.554.6166.5179.70113.3D108 E109 V132K106-D108 PolarHBondContact O-N 3.08Å; K106-E109 HydrophobicContact CD-CB 4.47Å; K106-E109 WeakPolarHBondContact CE-OE1 3.34Å; K106-E109 IonicContact NZ-OE1 3.6Å; K106-E109 PolarHBondContact NZ-OE1 2.88Å; K106-E109 IonicContact NZ-OE2 3.67Å; K106-E109 PolarHBondContact NZ-OE2 2.84Å; K106-E109 WeakPolarHBondContact O-CB 3.27Å; K106-E109 PolarHBondContact O-N 2.83Å; K106-V132 HydrophobicContact CD-CB 4.04Å; K106-V132 HydrophobicContact CD-CG1 4.44Å; K106-V132 PolarHBondContact NZ-O 2.88Å
107E90.2Very high93Very high157 Ų15730.9 Ų30.973%0.73415%0.152SC*.G310 helixtrans-69.9-19.5173.7-59.3179.7173.700113K59 S105 E109K59-E107 WeakPolarHBondContact CE-O 3.21Å; K59-E107 PolarHBondContact NZ-O 3.45Å; S105-E107 PolarHBondContact O-N 3.49Å; S105-E107 VanDerWaalsContact O-N 3.12Å; S105-E107 PolarHBondContact OG-N 3.12Å; E107-E109 VanDerWaalsContact C-N 3.28Å
108D93.9Very high93Very high3 Ų332.9 Ų32.92%0.01617%0.165CC..G310 helixtrans-82.1-5.5177.2-56.8-48.6000112.9K59 R87 I104 S105 K106 A110 Y112K59-D108 IonicContact NZ-OD1 3.85Å; R87-D108 IonicContact CZ-OD1 3.54Å; R87-D108 IonicContact CZ-OD2 3.84Å; R87-D108 IonicContact NH1-OD1 3.22Å; R87-D108 IonicContact NH1-OD2 3.84Å; R87-D108 PolarHBondContact NH1-OD2 3.21Å; R87-D108 IonicContact NH2-OD1 3.4Å; R87-D108 PolarHBondContact NH2-OD1 3.17Å; R87-D108 IonicContact NH2-OD2 2.94Å; R87-D108 PolarHBondContact NH2-OD2 3.27Å; I104-D108 HydrophobicContact CG2-CB 4.3Å; S105-D108 PolarHBondContact N-OD2 2.84Å; S105-D108 WeakPolarHBondContact O-CB 3.34Å; S105-D108 PolarHBondContact O-N 3.32Å; S105-D108 PolarHBondContact OG-OD2 2.88Å; K106-D108 PolarHBondContact O-N 3.08Å; D108-A110 PolarHBondContact O-N 2.87Å; D108-Y112 WeakPolarHBondContact O-CE2 3.47Å; D108-Y112 PolarHBondContact O-OH 2.55Å
109E94.3Very high92.6Very high46 Ų4636.2 Ų36.222%0.21519%0.192CC..  trans-64.4112.2173.3179.2157.1101.400111.5K106 E107 L130 A131 V132K106-E109 HydrophobicContact CD-CB 4.47Å; K106-E109 WeakPolarHBondContact CE-OE1 3.34Å; K106-E109 IonicContact NZ-OE1 3.6Å; K106-E109 PolarHBondContact NZ-OE1 2.88Å; K106-E109 IonicContact NZ-OE2 3.67Å; K106-E109 PolarHBondContact NZ-OE2 2.84Å; K106-E109 WeakPolarHBondContact O-CB 3.27Å; K106-E109 PolarHBondContact O-N 2.83Å; E107-E109 VanDerWaalsContact C-N 3.28Å; E109-L130 WeakPolarHBondContact CA-O 3.44Å; E109-A131 WeakPolarHBondContact OE2-CA 3.46Å; E109-V132 HydrophobicContact CB-CB 4.39Å; E109-V132 HydrophobicContact CB-CG2 4.05Å; E109-V132 PolarHBondContact OE2-N 2.85Å
110A95.2Very high92.3Very high0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-170.1164.5-173.400000111.8K59 Q60 D108 Y112 L130K59-A110 HydrophobicContact CD-CB 4.2Å; K59-A110 HydrophobicContact CG-CB 3.46Å; K59-A110 VanDerWaalsContact CG-CB 3.46Å; Q60-A110 WeakPolarHBondContact O-CB 3.28Å; D108-A110 PolarHBondContact O-N 2.87Å; A110-Y112 HydrophobicContact CB-CD2 4.3Å; A110-Y112 HydrophobicContact CB-CE2 3.8Å; A110-Y112 WeakPolarHBondContact O-CD2 3.45Å; A110-L130 PolarHBondContact N-O 3.47Å; A110-L130 PolarHBondContact O-N 3.3Å
111T95.4Very high91.8Very high19 Ų1953 Ų5312%0.11726%0.259CS..EExtended strand (participates in β ladder)trans-83121.4162.5-47.50000109.5I30 Q60 F113 M128I30-T111 HydrophobicContact CD1-CG2 3.95Å; I30-T111 HydrophobicContact CG2-CG2 4.06Å; Q60-T111 PolarHBondContact N-O 2.83Å; Q60-T111 PolarHBondContact O-N 3.3Å; T111-F113 HydrophobicContact CG2-CD2 4.27Å; T111-F113 HydrophobicContact CG2-CE1 4.05Å; T111-F113 HydrophobicContact CG2-CE2 3.55Å; T111-F113 HydrophobicContact CG2-CZ 3.43Å; T111-F113 VanDerWaalsContact CG2-CZ 3.43Å; T111-M128 CarbonylContact C-O 3.55Å; T111-M128 WeakPolarHBondContact CA-O 3.44Å
112Y96.4Very high91.4Very high0 Ų055.8 Ų55.80%027%0.272CS..EExtended strand (participates in β ladder)trans-100137.2174.8-70.4-97000110.3L43 Y58 K59 V69 L99 I101 D108 A110 G127 M128 L130L43-Y112 HydrophobicContact CD1-CD1 3.83Å; L43-Y112 HydrophobicContact CD1-CD2 3.91Å; L43-Y112 HydrophobicContact CD1-CE1 4.47Å; L43-Y112 HydrophobicContact CD1-CG 3.51Å; Y58-Y112 CarbonylContact O-C 3.51Å; Y58-Y112 VanDerWaalsContact O-CA 3.25Å; Y58-Y112 WeakPolarHBondContact O-CA 3.27Å; K59-Y112 HydrophobicContact CB-CD1 4.11Å; K59-Y112 HydrophobicContact CB-CE1 3.81Å; K59-Y112 HydrophobicContact CD-CE1 4.08Å; K59-Y112 WeakPolarHBondContact CD-OH 3.36Å; K59-Y112 WeakPolarHBondContact CE-OH 3.26Å; K59-Y112 HydrophobicContact CG-CD1 4.39Å; K59-Y112 HydrophobicContact CG-CE1 3.8Å; K59-Y112 HydrophobicContact CG-CE2 4.38Å; V69-Y112 HydrophobicContact CG2-CE1 4.29Å; L99-Y112 HydrophobicContact CD2-CD1 4.15Å; L99-Y112 HydrophobicContact CD2-CE1 4.37Å; I101-Y112 HydrophobicContact CD1-CE1 3.8Å; I101-Y112 HydrophobicContact CD1-CE2 4.3Å; D108-Y112 WeakPolarHBondContact O-CE2 3.47Å; D108-Y112 PolarHBondContact O-OH 2.55Å; A110-Y112 HydrophobicContact CB-CD2 4.3Å; A110-Y112 HydrophobicContact CB-CE2 3.8Å; A110-Y112 WeakPolarHBondContact O-CD2 3.45Å; Y112-G127 CarbonylContact O-C 3.5Å; Y112-G127 VanDerWaalsContact O-CA 3.26Å; Y112-G127 WeakPolarHBondContact O-CA 3.21Å; Y112-M128 PolarHBondContact N-O 3.09Å; Y112-M128 PolarHBondContact O-N 3.27Å; Y112-L130 HydrophobicContact CD2-CB 4.1Å; Y112-L130 HydrophobicContact CE2-CB 4.01Å; Y112-L130 HydrophobicContact CE2-CD2 4Å
113F95.2Very high91Very high38 Ų3855.8 Ų55.817%0.16727%0.27CS..EExtended strand (participates in β ladder)trans-124.3134.6177.6-62.2-84.6000110.7I30 W57 Y58 Q60 L66 T111 F124I30-F113 HydrophobicContact CD1-CE1 3.77Å; I30-F113 HydrophobicContact CD1-CZ 3.94Å; W57-F113 WeakPolarHBondContact CA-O 2.99Å; Y58-F113 PolarHBondContact N-O 3.41Å; Y58-F113 PolarHBondContact O-N 2.89Å; Q60-F113 HydrophobicContact CB-CE2 4.14Å; L66-F113 HydrophobicContact CD1-CD2 4.22Å; T111-F113 HydrophobicContact CG2-CD2 4.27Å; T111-F113 HydrophobicContact CG2-CE1 4.05Å; T111-F113 HydrophobicContact CG2-CE2 3.55Å; T111-F113 HydrophobicContact CG2-CZ 3.43Å; T111-F113 VanDerWaalsContact CG2-CZ 3.43Å; F113-F124 HydrophobicContact CB-CD1 3.96Å; F113-F124 HydrophobicContact CB-CE1 4.02Å; F113-F124 HydrophobicContact CD1-CD1 4.44Å; F113-F124 HydrophobicContact CG-CD1 4.49Å
114C92.9Very high90.8Very high0 Ų056.8 Ų56.80%027%0.27CS..EExtended strand (participates in β ladder)trans-101.5124.3166.3-175.40000109.6C45 Y56 W57 F124 A125 A126C45-C114 HydrophobicContact CB-CB 3.54Å; C45-C114 WeakPolarHBondContact CB-SG 3.47Å; C45-C114 WeakPolarHBondContact SG-CB 3.4Å; C45-C114 CovalentContact SG-SG 2.02Å; C45-C114 PolarHBondContact SG-SG 3.49Å; Y56-C114 WeakPolarHBondContact O-CA 3.27Å; W57-C114 HydrophobicContact CD2-CB 4.1Å; W57-C114 HydrophobicContact CE3-CB 4.07Å; W57-C114 HydrophobicContact CH2-CB 3.81Å; W57-C114 HydrophobicContact CZ2-CB 3.83Å; W57-C114 HydrophobicContact CZ3-CB 3.92Å; C114-F124 CarbonylContact O-C 3.53Å; C114-F124 WeakPolarHBondContact O-CA 3.48Å; C114-A125 PolarHBondContact O-N 3.22Å; C114-A126 HydrophobicContact CB-CB 4.24Å; C114-A126 PolarHBondContact N-O 2.81Å; C114-A126 PolarHBondContact O-N 2.81Å
115Q91.9Very high90.6Very high33 Ų3357.7 Ų57.715%0.15428%0.278CS..EExtended strand (participates in β ladder)trans-114.8146.6172.7-164.2-173.627.800109.5F55 Y56 Y58 Q122 R123 F124F55-Q115 CarbonylContact C-O 3.57Å; F55-Q115 WeakPolarHBondContact CA-O 3.18Å; F55-Q115 WeakPolarHBondContact CB-O 3.37Å; Y56-Q115 PolarHBondContact N-O 3.16Å; Y56-Q115 PolarHBondContact O-N 2.83Å; Y58-Q115 HydrophobicContact CE2-CB 4.04Å; Y58-Q115 PolarHBondContact OH-OE1 2.95Å; Q115-Q122 HydrophobicContact CG-CB 4.36Å; Q115-R123 WeakPolarHBondContact CA-O 3.41Å; Q115-R123 WeakPolarHBondContact CG-O 3.38Å; Q115-F124 HydrophobicContact CB-CD1 3.9Å; Q115-F124 HydrophobicContact CB-CE1 3.96Å; Q115-F124 HydrophobicContact CG-CD1 4.14Å; Q115-F124 HydrophobicContact CG-CE1 4.17Å
116G90.1Very high90.5Very high0 Ų057.4 Ų57.40%028%0.277CS..EExtended strand (participates in β ladder)trans-164.4168.6169.200000114.2F54 R123F54-G116 VanDerWaalsContact O-CA 3.27Å; F54-G116 WeakPolarHBondContact O-CA 3.28Å; G116-R123 PolarHBondContact N-O 2.84Å; G116-R123 PolarHBondContact O-N 3.31Å
117G88.6Confident90.7Very high7 Ų753.5 Ų53.57%0.07227%0.266CS..EExtended strand (participates in β ladder)trans153-150.8179.700000113.5E51 K53 F54 F121 Q122E51-G117 CarbonylContact O-C 3.56Å; E51-G117 VanDerWaalsContact O-C 3.23Å; E51-G117 WeakPolarHBondContact O-CA 3.38Å; K53-G117 PolarHBondContact N-O 2.88Å; F54-G117 PolarHBondContact N-O 2.04Å; F54-G117 PolarHBondContact O-N 2.83Å; G117-F121 CarbonylContact C-O 3.53Å; G117-F121 WeakPolarHBondContact CA-O 3.42Å; G117-Q122 PolarHBondContact O-NE2 3.03Å
118T86.2Confident90.9Very high44 Ų4448 Ų4827%0.2724%0.241SC..EExtended strand (participates in β ladder)trans-99.8170.5176.174.50000111.7K53 Y120 F121 Q122K53-T118 HydrophobicContact CD-CG2 4.2Å; K53-T118 HydrophobicContact CG-CG2 4.47Å; T118-Y120 PolarHBondContact O-N 3.27Å; T118-Y120 VanDerWaalsContact O-N 3.09Å; T118-Y120 PolarHBondContact OG1-N 3.41Å; T118-F121 PolarHBondContact N-O 2.92Å; T118-F121 CarbonylContact O-C 3.54Å; T118-F121 PolarHBondContact O-N 3.02Å; T118-F121 PolarHBondContact OG1-N 2.76Å; T118-Q122 PolarHBondContact O-NE2 3.1Å
119A83.1Confident90.9Very high70 Ų7050.5 Ų50.558%0.57925%0.251SS*.THydrogen-bonded Turntrans-57.2-23.3175.500000114F54F54-A119 HydrophobicContact CE2-CB 4.06Å
120Y86.3Confident90.9Very high228 Ų22848.3 Ų48.389%0.89424%0.241SC*.THydrogen-bonded Turntrans-106.4-12.1-177-52.7-68.3000113.8T118T118-Y120 PolarHBondContact O-N 3.27Å; T118-Y120 VanDerWaalsContact O-N 3.09Å; T118-Y120 PolarHBondContact OG1-N 3.41Å
121F85.9Confident90.7Very high143 Ų14349.1 Ų49.163%0.62725%0.247SC*.EExtended strand (participates in β ladder)trans-148.2109.3-178.2-173.6-96.6000109.7G117 T118 R123G117-F121 CarbonylContact C-O 3.53Å; G117-F121 WeakPolarHBondContact CA-O 3.42Å; T118-F121 PolarHBondContact N-O 2.92Å; T118-F121 CarbonylContact O-C 3.54Å; T118-F121 PolarHBondContact O-N 3.02Å; T118-F121 PolarHBondContact OG1-N 2.76Å; F121-R123 HydrophobicContact CE1-CB 4.43Å
122Q87.2Confident90.4Very high60 Ų6048.3 Ų48.328%0.2824%0.242SC..EExtended strand (participates in β ladder)trans-117.1137176.5-70.9-68.9-40.900108.8Q115 G117 T118Q115-Q122 HydrophobicContact CG-CB 4.36Å; G117-Q122 PolarHBondContact O-NE2 3.03Å; T118-Q122 PolarHBondContact O-NE2 3.1Å
123R88.8Confident89.8Confident88 Ų8851.6 Ų51.633%0.33226%0.259SS..EExtended strand (participates in β ladder)trans-130.3148.9173.565.3178.7-177.384-1.2110.8E51 Q115 G116 F121 A125E51-R123 IonicContact OE1-CZ 2.62Å; E51-R123 IonicContact OE1-NE 3.79Å; E51-R123 IonicContact OE1-NH2 2.63Å; E51-R123 PolarHBondContact OE1-NH2 3.45Å; E51-R123 IonicContact OE2-NH2 2.66Å; Q115-R123 WeakPolarHBondContact CA-O 3.41Å; Q115-R123 WeakPolarHBondContact CG-O 3.38Å; G116-R123 PolarHBondContact N-O 2.84Å; G116-R123 PolarHBondContact O-N 3.31Å; F121-R123 HydrophobicContact CE1-CB 4.43Å; R123-A125 PolarHBondContact O-N 3.38Å
124F90.7Very high88.9Confident119 Ų11952.4 Ų52.452%0.52227%0.266SS..EExtended strand (participates in β ladder)trans-70.2127.7161.7-67.7-75.3000108.1Y58 F113 C114 Q115Y58-F124 HydrophobicContact CD2-CE1 4.29Å; Y58-F124 HydrophobicContact CE2-CE1 4.49Å; F113-F124 HydrophobicContact CB-CD1 3.96Å; F113-F124 HydrophobicContact CB-CE1 4.02Å; F113-F124 HydrophobicContact CD1-CD1 4.44Å; F113-F124 HydrophobicContact CG-CD1 4.49Å; C114-F124 CarbonylContact O-C 3.53Å; C114-F124 WeakPolarHBondContact O-CA 3.48Å; Q115-F124 HydrophobicContact CB-CD1 3.9Å; Q115-F124 HydrophobicContact CB-CE1 3.96Å; Q115-F124 HydrophobicContact CG-CD1 4.14Å; Q115-F124 HydrophobicContact CG-CE1 4.17Å
125A89.4Confident87.5Confident20 Ų2058.4 Ų58.417%0.16529%0.293CS..EExtended strand (participates in β ladder)trans-106.3-25.5-176.200000112.6L47 C114 R123L47-A125 HydrophobicContact CD1-CB 4.39Å; L47-A125 HydrophobicContact CD2-CB 3.65Å; L47-A125 HydrophobicContact CG-CB 3.76Å; C114-A125 PolarHBondContact O-N 3.22Å; R123-A125 PolarHBondContact O-N 3.38Å
126A90.8Very high85.8Confident27 Ų2763.8 Ų63.822%0.22332%0.323CS..EExtended strand (participates in β ladder)trans-152.2152.7170.800000110.2C114C114-A126 HydrophobicContact CB-CB 4.24Å; C114-A126 PolarHBondContact N-O 2.81Å; C114-A126 PolarHBondContact O-N 2.81Å
127G92.4Very high83.8Confident22 Ų2265.8 Ų65.823%0.22734%0.337CS..EExtended strand (participates in β ladder)trans-135.9147.6163.200000108.7P31 Y112P31-G127 VanDerWaalsContact CD-O 3.28Å; P31-G127 WeakPolarHBondContact CD-O 3.49Å; Y112-G127 CarbonylContact O-C 3.5Å; Y112-G127 VanDerWaalsContact O-CA 3.26Å; Y112-G127 WeakPolarHBondContact O-CA 3.21Å
128M93.6Very high82Confident41 Ų4170.9 Ų70.920%0.20237%0.369CS..EExtended strand (participates in β ladder)trans-146.6134.9176.9-179.563.98100109P31 E33 L43 T111 Y112P31-M128 VanDerWaalsContact C-SD 3.57Å; P31-M128 HydrophobicContact CB-CE 4.04Å; P31-M128 HydrophobicContact CB-SD 3.78Å; E33-M128 HydrophobicContact CB-CE 4.26Å; E33-M128 HydrophobicContact CB-CG 4.17Å; E33-M128 HydrophobicContact CB-SD 3.71Å; L43-M128 HydrophobicContact CD2-CB 4.05Å; L43-M128 HydrophobicContact CD2-CG 3.76Å; T111-M128 CarbonylContact C-O 3.55Å; T111-M128 WeakPolarHBondContact CA-O 3.44Å; Y112-M128 PolarHBondContact N-O 3.09Å; Y112-M128 PolarHBondContact O-N 3.27Å
129Y93.8Very high80.4Confident56 Ų5671.6 Ų71.622%0.2237%0.373CS..EExtended strand (participates in β ladder)trans-95113.9168.4178.1-109000109.5P31 L32 E33 L62 A131P31-Y129 PolarHBondContact O-N 2.87Å; L32-Y129 WeakPolarHBondContact CA-O 3.49Å; L32-Y129 HydrophobicContact CD1-CD1 3.61Å; L32-Y129 HydrophobicContact CD1-CE1 4.04Å; E33-Y129 PolarHBondContact N-O 2.86Å; L62-Y129 HydrophobicContact CD1-CE2 4.41Å; L62-Y129 HydrophobicContact CG-CE2 4.49Å; Y129-A131 HydrophobicContact CE1-CB 4.03Å
130L94.6Very high78.9Confident0 Ų074.9 Ų74.90%038%0.381CS..EExtended strand (participates in β ladder)trans-89.8112.3176.5172.855.3000109.1V35 I41 I101 E109 A110 Y112 V132V35-L130 HydrophobicContact CB-CD1 4.21Å; V35-L130 HydrophobicContact CG2-CD1 3.8Å; I41-L130 HydrophobicContact CD1-CD1 3.71Å; I41-L130 HydrophobicContact CG2-CD2 4.23Å; I101-L130 HydrophobicContact CD1-CD2 4.31Å; E109-L130 WeakPolarHBondContact CA-O 3.44Å; A110-L130 PolarHBondContact N-O 3.47Å; A110-L130 PolarHBondContact O-N 3.3Å; Y112-L130 HydrophobicContact CD2-CB 4.1Å; Y112-L130 HydrophobicContact CE2-CB 4.01Å; Y112-L130 HydrophobicContact CE2-CD2 4Å; L130-V132 HydrophobicContact CG-CG2 4.24Å
131A91.1Very high77.8Confident16 Ų1665.1 Ų65.113%0.13235%0.345CS..EExtended strand (participates in β ladder)trans-96.4135.6168.900000110.4L32 E33 V34 V35 E109 Y129L32-A131 HydrophobicContact CD1-CB 3.7Å; E33-A131 PolarHBondContact O-N 2.62Å; V34-A131 WeakPolarHBondContact CA-O 3.33Å; V34-A131 HydrophobicContact CG2-CB 4.3Å; V35-A131 PolarHBondContact N-O 2.81Å; E109-A131 WeakPolarHBondContact OE2-CA 3.46Å; Y129-A131 HydrophobicContact CE1-CB 4.03Å
132V89.8Confident77.2Confident3 Ų362.3 Ų62.32%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-111.3114.3-177.8-177.10000110V35 V37 I104 K106 E109 L130V35-V132 CarbonylContact O-C 3.53Å; V35-V132 WeakPolarHBondContact O-CA 3.05Å; V37-V132 HydrophobicContact CG2-CG1 3.69Å; I104-V132 HydrophobicContact CG2-CB 4.28Å; I104-V132 HydrophobicContact CG2-CG1 3.78Å; I104-V132 HydrophobicContact CG2-CG2 3.46Å; I104-V132 VanDerWaalsContact CG2-CG2 3.46Å; K106-V132 HydrophobicContact CD-CB 4.04Å; K106-V132 HydrophobicContact CD-CG1 4.44Å; K106-V132 PolarHBondContact NZ-O 2.88Å; E109-V132 HydrophobicContact CB-CB 4.39Å; E109-V132 HydrophobicContact CB-CG2 4.05Å; E109-V132 PolarHBondContact OE2-N 2.85Å; L130-V132 HydrophobicContact CG-CG2 4.24Å
133N82.9Confident77Confident68 Ų6859.5 Ų59.536%0.36432%0.32SS..EExtended strand (participates in β ladder)trans-88.7125.2178.1-168.832.3000111V34 V35 E36 V37 H135V34-N133 HydrophobicContact CG1-CB 4.3Å; V35-N133 PolarHBondContact O-N 3.47Å; E36-N133 WeakPolarHBondContact CA-O 3.06Å; V37-N133 PolarHBondContact N-O 2.87Å; N133-H135 PolarHBondContact ND2-CE1 2.86Å; N133-H135 PolarHBondContact ND2-NE2 2.81Å
134D77.5Confident76.8Confident56 Ų5660.1 Ų60.130%0.29933%0.325SS..  trans-117.291.6-179.2178.915000110.3V37 N136 S137V37-D134 HydrophobicContact CG2-CB 3.76Å; D134-N136 PolarHBondContact O-N 2.88Å; D134-N136 WeakPolarHBondContact OD1-CB 3.4Å; D134-N136 PolarHBondContact OD1-N 2.87Å; D134-S137 WeakPolarHBondContact O-CB 3.42Å; D134-S137 PolarHBondContact O-N 2.68Å; D134-S137 VanDerWaalsContact O-N 3.14Å; D134-S137 PolarHBondContact OD1-N 2.84Å
135H64Low76.7Confident125 Ų12554.5 Ų54.558%0.57930%0.301SS*.THydrogen-bonded Turntrans-63.4-17.9176.4-65.2-71.3000113.5E36 N133 S137E36-H135 IonicContact OE1-CD2 2.68Å; E36-H135 IonicContact OE1-CE1 3.81Å; E36-H135 IonicContact OE1-NE2 2.73Å; E36-H135 PolarHBondContact OE1-NE2 2.96Å; N133-H135 PolarHBondContact ND2-CE1 2.86Å; N133-H135 PolarHBondContact ND2-NE2 2.81Å; H135-S137 VanDerWaalsContact C-N 3.33Å
136N55Low76.6Confident146 Ų14656 Ų5678%0.78131%0.308SS*.THydrogen-bonded Turntrans-86.9-2.4177.6-70.1-37.6000112.8D134 P138D134-N136 PolarHBondContact O-N 2.88Å; D134-N136 WeakPolarHBondContact OD1-CB 3.4Å; D134-N136 PolarHBondContact OD1-N 2.87Å; N136-P138 VanDerWaalsContact O-CD 3.31Å; N136-P138 WeakPolarHBondContact O-CD 3.1Å
137S49.4Very low76.5Confident42 Ų4256.9 Ų56.929%0.29431%0.311SS..SBendtrans-69.3116.2167.6-1530000108.9D134 H135 T139 K236D134-S137 WeakPolarHBondContact O-CB 3.42Å; D134-S137 PolarHBondContact O-N 2.68Å; D134-S137 VanDerWaalsContact O-N 3.14Å; D134-S137 PolarHBondContact OD1-N 2.84Å; H135-S137 VanDerWaalsContact C-N 3.33Å; S137-T139 PolarHBondContact O-N 2.8Å; S137-K236 PolarHBondContact OG-NZ 2.92Å
138P48.9Very low76.2Confident114 Ų11462.5 Ų62.574%0.7433%0.332SS*.SBendtrans-7938.1-166.533-38000113.9N136N136-P138 VanDerWaalsContact O-CD 3.31Å; N136-P138 WeakPolarHBondContact O-CD 3.1Å
139T52.6Low75.9Confident59 Ų5964.3 Ų64.336%0.36235%0.345SS..  trans-138.376.9-178.9300000109.1S137 T141 K236S137-T139 PolarHBondContact O-N 2.8Å; T139-T141 PolarHBondContact O-N 2.85Å; T139-K236 PolarHBondContact OG1-NZ 2.03Å
140L52.4Low75.6Confident140 Ų14063.5 Ų63.573%0.73335%0.346SS*.  trans-7073.8158-169.479.9000107.9
141T63.6Low75.3Confident22 Ų2267.3 Ų67.314%0.13537%0.372CS..EExtended strand (participates in β ladder)trans-103.397174.1-48.50000106.3T139 L164 L165 L238T139-T141 PolarHBondContact O-N 2.85Å; T141-L164 HydrophobicContact CG2-CD1 3.53Å; T141-L164 HydrophobicContact CG2-CD2 4.46Å; T141-L164 HydrophobicContact CG2-CG 3.95Å; T141-L165 WeakPolarHBondContact CA-O 3.47Å; T141-L238 HydrophobicContact CG2-CD1 3.57Å; T141-L238 WeakPolarHBondContact O-CD1 3.26Å
142H73Confident75Confident85 Ų8566.9 Ų66.939%0.39437%0.368SS..EExtended strand (participates in β ladder)trans-99.1147.2-177.7-172.9-104.3000110.7L165 E241H142-L165 PolarHBondContact N-O 2.88Å; H142-L165 PolarHBondContact O-N 3.17Å; H142-E241 IonicContact CE1-OE1 2.71Å
143V83.1Confident74.9Confident1 Ų172 Ų721%0.00639%0.392CS..EExtended strand (participates in β ladder)trans-107.5106.2177174.60000108.7C162 L164 V231 L238 G240V143-C162 WeakPolarHBondContact CG1-SG 3.49Å; V143-L164 HydrophobicContact CG2-CD1 3.7Å; V143-V231 HydrophobicContact CG1-CG2 4.1Å; V143-V231 HydrophobicContact CG2-CB 4.09Å; V143-V231 HydrophobicContact CG2-CG2 3.71Å; V143-L238 HydrophobicContact CG2-CB 3.55Å; V143-L238 HydrophobicContact CG2-CD1 4.39Å; V143-G240 WeakPolarHBondContact O-CA 3.39Å
144K84.9Confident74.9Confident100 Ų10074 Ų7444%0.43540%0.403SS..EExtended strand (participates in β ladder)trans-85.7129.2174-175170.8-175.6170.80109.8S163 L165K144-S163 PolarHBondContact N-O 2.91Å; K144-S163 PolarHBondContact O-N 2.88Å; K144-L165 HydrophobicContact CB-CD1 4.48Å
145Q88.1Confident75.1Confident2 Ų273.7 Ų73.71%0.00941%0.413CS..EExtended strand (participates in β ladder)trans-102.9146.5170.4-82.6-172.3-115.900111.5R161 C162 Y227 C229 G240 G242Q145-R161 WeakPolarHBondContact CA-O 3.32Å; Q145-C162 HydrophobicContact CG-CB 4.44Å; Q145-Y227 PolarHBondContact NE2-O 3.37Å; Q145-C229 HydrophobicContact CG-CB 3.95Å; Q145-G240 VanDerWaalsContact OE1-C 3.25Å; Q145-G240 VanDerWaalsContact OE1-CA 3.3Å; Q145-G240 PolarHBondContact OE1-O 3Å; Q145-G242 VanDerWaalsContact OE1-N 3.15Å
146T86.6Confident76.1Confident50 Ų5071.2 Ų71.231%0.30740%0.404SS..EExtended strand (participates in β ladder)trans-145.3144.1173.548.80000111.3R161T146-R161 PolarHBondContact N-O 3.25Å; T146-R161 PolarHBondContact O-N 2.92Å
147P88.9Confident77.7Confident46 Ų4667.7 Ų67.730%0.29939%0.388SS..  cis-69.2166.8-9.832-35.4000112T150 T243P147-T150 HydrophobicContact CG-CG2 4.26Å; P147-T243 HydrophobicContact CG-CG2 3.98Å; P147-T243 VanDerWaalsContact O-CB 3.25Å; P147-T243 WeakPolarHBondContact O-CB 3.03Å; P147-T243 WeakPolarHBondContact O-CG2 3.43Å; P147-T243 PolarHBondContact O-OG1 3.45Å
148E86.6Confident79.6Confident141 Ų14166.1 Ų66.166%0.65938%0.376SS*.SBendtrans-74.5-40.3172.8-69.9167.1-153.800111.2K244E148-K244 PolarHBondContact O-N 3.06Å
149T86.2Confident81.5Confident79 Ų7964.7 Ų64.749%0.48536%0.363SS..EExtended strand (participates in β ladder)trans-142.3144.6175.7-63.70000110K244T149-K244 CarbonylContact C-O 3.57Å; T149-K244 VanDerWaalsContact CA-O 3.29Å; T149-K244 WeakPolarHBondContact CA-O 3.46Å; T149-K244 HydrophobicContact CG2-CB 4.19Å; T149-K244 HydrophobicContact CG2-CD 4.31Å
150T89.1Confident83.3Confident39 Ų3962 Ų6224%0.23935%0.346CS..EExtended strand (participates in β ladder)trans-147.5145.3174.6-172.50000110.6P147 V158 T243 K244 V245 E246P147-T150 HydrophobicContact CG-CG2 4.26Å; T150-V158 HydrophobicContact CG2-CG1 3.98Å; T150-V158 HydrophobicContact CG2-CG2 4.28Å; T150-T243 HydrophobicContact CG2-CG2 4.4Å; T150-K244 PolarHBondContact N-O 3.45Å; T150-V245 HydrophobicContact CG2-CB 4.39Å; T150-V245 HydrophobicContact CG2-CG1 4.41Å; T150-V245 HydrophobicContact CG2-CG2 3.84Å; T150-V245 WeakPolarHBondContact O-CA 3.31Å; T150-E246 PolarHBondContact O-N 2.96Å
151S86.8Confident85Confident79 Ų7960.8 Ų60.855%0.55233%0.332SS*.EExtended strand (participates in β ladder)trans-114137.1177.457.80000110.5E246S151-E246 VanDerWaalsContact CA-O 3.3Å; S151-E246 WeakPolarHBondContact CA-O 3.29Å
152V86.7Confident86.2Confident8 Ų859.7 Ų59.75%0.04833%0.325CS..EExtended strand (participates in β ladder)trans-141.5163.6-168.5-75.40000113D156 V158 I218 V245 E246 M247 S248V152-D156 HydrophobicContact CB-CB 3.98Å; V152-D156 HydrophobicContact CG1-CB 4.02Å; V152-V158 HydrophobicContact CG1-CG2 3.6Å; V152-I218 HydrophobicContact CG2-CB 4.5Å; V152-I218 HydrophobicContact CG2-CG1 4.18Å; V152-I218 HydrophobicContact CG2-CG2 4.18Å; V152-V245 HydrophobicContact CG2-CG1 3.63Å; V152-E246 WeakPolarHBondContact CG2-O 3.41Å; V152-E246 PolarHBondContact N-O 3.4Å; V152-M247 HydrophobicContact CG2-SD 4.32Å; V152-S248 PolarHBondContact O-N 3.32Å; V152-S248 PolarHBondContact O-OG 2.96Å
153Q86.3Confident86.8Confident110 Ų11056.5 Ų56.551%0.51431%0.312SS..  trans-109.5166.6171.3-64.3-1741.200111.3G155 D156 S248Q153-G155 PolarHBondContact O-N 2.92Å; Q153-D156 PolarHBondContact N-OD2 3.04Å; Q153-D156 WeakPolarHBondContact O-CB 3.07Å; Q153-D156 PolarHBondContact O-N 2.96Å; Q153-D156 VanDerWaalsContact O-N 3.12Å; Q153-S248 WeakPolarHBondContact CG-OG 3.22Å
154D83Confident86.7Confident109 Ų10957 Ų5758%0.58332%0.315SS*.THydrogen-bonded Turntrans-61.8122.8173.8-69.6-29.7000109.8T220 M247D154-T220 VanDerWaalsContact OD1-CA 3.24Å; D154-T220 WeakPolarHBondContact OD1-CA 3.42Å; D154-M247 WeakPolarHBondContact OD1-CE 3.46Å
155G81.5Confident86.1Confident51 Ų5156.1 Ų56.153%0.52632%0.315SS..THydrogen-bonded Turntrans103.2-16.5-175.300000114.8Q153 I218Q153-G155 PolarHBondContact O-N 2.92Å; G155-I218 PolarHBondContact N-O 3.32Å
156D86.1Confident85.1Confident73 Ų7357.3 Ų57.339%0.3932%0.323SS..  trans-66.9150.8179.6-78.2-22.7000112.3V152 Q153 T217 I218V152-D156 HydrophobicContact CB-CB 3.98Å; V152-D156 HydrophobicContact CG1-CB 4.02Å; Q153-D156 PolarHBondContact N-OD2 3.04Å; Q153-D156 WeakPolarHBondContact O-CB 3.07Å; Q153-D156 PolarHBondContact O-N 2.96Å; Q153-D156 VanDerWaalsContact O-N 3.12Å; D156-T217 CarbonylContact O-C 3.54Å; D156-T217 WeakPolarHBondContact O-CA 3.25Å; D156-I218 PolarHBondContact O-N 2.94Å
157T88.1Confident83.3Confident71 Ų7159.6 Ų59.644%0.43634%0.341SS..EExtended strand (participates in β ladder)trans-114110.4175.6-62.10000111.1T217T157-T217 PolarHBondContact OG1-OG1 2.93Å
158V89Confident81.5Confident9 Ų960.8 Ų60.86%0.05535%0.347CS..EExtended strand (participates in β ladder)trans-77.7132.7175.3-1770000109.5T150 V152 L160 S215 K216 I218 V245T150-V158 HydrophobicContact CG2-CG1 3.98Å; T150-V158 HydrophobicContact CG2-CG2 4.28Å; V152-V158 HydrophobicContact CG1-CG2 3.6Å; V158-L160 HydrophobicContact CG1-CD2 3.53Å; V158-L160 HydrophobicContact CG1-CG 3.89Å; V158-S215 CarbonylContact O-C 3.42Å; V158-S215 WeakPolarHBondContact O-CA 3.39Å; V158-K216 PolarHBondContact N-O 2.81Å; V158-K216 PolarHBondContact O-N 2.84Å; V158-I218 HydrophobicContact CG2-CD1 4.32Å; V158-I218 HydrophobicContact CG2-CG1 3.91Å; V158-V245 HydrophobicContact CG1-CG2 4.41Å; V158-V245 HydrophobicContact CG2-CG1 4.1Å; V158-V245 HydrophobicContact CG2-CG2 4.46Å
159N89.6Confident79.4Confident85 Ų8557.6 Ų57.646%0.45534%0.341SS..EExtended strand (participates in β ladder)trans-102.1105.8168.2-74.4-61.7000109.3Q213 S215N159-Q213 PolarHBondContact OD1-NE2 2.87Å; N159-Q213 VanDerWaalsContact OD1-NE2 3.17Å; N159-S215 WeakPolarHBondContact OD1-CB 3.32Å; N159-S215 PolarHBondContact OD1-OG 2.87Å
160L89.3Confident77.7Confident1 Ų157.9 Ų57.91%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-92.1131176.2-56.9172.1000109V158 W183 Q213 L214 Y227 T243V158-L160 HydrophobicContact CG1-CD2 3.53Å; V158-L160 HydrophobicContact CG1-CG 3.89Å; L160-W183 HydrophobicContact CB-CE3 4.37Å; L160-W183 HydrophobicContact CB-CH2 3.57Å; L160-W183 HydrophobicContact CB-CZ2 4.31Å; L160-W183 HydrophobicContact CB-CZ3 3.61Å; L160-W183 HydrophobicContact CD1-CE3 4.15Å; L160-W183 HydrophobicContact CD1-CZ3 4.03Å; L160-W183 HydrophobicContact CG-CZ3 4.4Å; L160-Q213 WeakPolarHBondContact O-CA 3.4Å; L160-L214 HydrophobicContact CB-CB 4.37Å; L160-L214 HydrophobicContact CD1-CD2 4Å; L160-L214 HydrophobicContact CD1-CG 4.34Å; L160-L214 PolarHBondContact N-O 3.26Å; L160-L214 PolarHBondContact O-N 3.28Å; L160-Y227 HydrophobicContact CD1-CD1 3.65Å; L160-Y227 HydrophobicContact CD1-CE1 4.45Å; L160-Y227 HydrophobicContact CD1-CG 3.67Å; L160-T243 HydrophobicContact CD2-CG2 3.43Å; L160-T243 VanDerWaalsContact CD2-CG2 3.43Å
161R89.4Confident75.5Confident115 Ų11562.7 Ų62.743%0.43437%0.367SS..EExtended strand (participates in β ladder)trans-118.2137.9175-176.1-176.3-60.7-175.84.4110.6Q145 T146 D211 Y212Q145-R161 WeakPolarHBondContact CA-O 3.32Å; T146-R161 PolarHBondContact N-O 3.25Å; T146-R161 PolarHBondContact O-N 2.92Å; R161-D211 IonicContact NH1-OD2 3.87Å; R161-Y212 WeakPolarHBondContact CA-O 2.99Å
162C87.5Confident73.6Confident0 Ų065.5 Ų65.50%039%0.386CS..EExtended strand (participates in β ladder)trans-127.2119.1177.5175.40000108V143 Q145 W183 Y212 C229V143-C162 WeakPolarHBondContact CG1-SG 3.49Å; Q145-C162 HydrophobicContact CG-CB 4.44Å; C162-W183 HydrophobicContact CB-CH2 3.56Å; C162-W183 HydrophobicContact CB-CZ2 3.45Å; C162-W183 VanDerWaalsContact CB-CZ2 3.45Å; C162-Y212 PolarHBondContact N-O 2.82Å; C162-Y212 WeakPolarHBondContact O-CD2 3.02Å; C162-Y212 PolarHBondContact O-N 2.94Å; C162-C229 HydrophobicContact CB-CB 3.58Å; C162-C229 WeakPolarHBondContact CB-SG 3.46Å; C162-C229 WeakPolarHBondContact SG-CB 3.18Å; C162-C229 CovalentContact SG-SG 2.03Å; C162-C229 PolarHBondContact SG-SG 3.23Å
163S85.6Confident71.8Confident18 Ų1868.2 Ų68.213%0.12642%0.416CS..EExtended strand (participates in β ladder)trans-115.5115.9-173.4-60.90000109.7K144 C210 D211K144-S163 PolarHBondContact N-O 2.91Å; K144-S163 PolarHBondContact O-N 2.88Å; S163-C210 WeakPolarHBondContact CA-O 3.37Å; S163-D211 WeakPolarHBondContact CB-OD1 3.14Å; S163-D211 PolarHBondContact OG-OD1 3.12Å
164L81.4Confident70Confident10 Ų1071.1 Ų71.15%0.05243%0.429CS..EExtended strand (participates in β ladder)trans-85.4113.6174.7-174.274.5000109.3T141 V143 N179 S209 C210 Y212 V231 L238T141-L164 HydrophobicContact CG2-CD1 3.53Å; T141-L164 HydrophobicContact CG2-CD2 4.46Å; T141-L164 HydrophobicContact CG2-CG 3.95Å; V143-L164 HydrophobicContact CG2-CD1 3.7Å; L164-N179 WeakPolarHBondContact CD2-ND2 3.36Å; L164-S209 WeakPolarHBondContact O-CA 3.31Å; L164-C210 HydrophobicContact CB-CB 4.25Å; L164-C210 PolarHBondContact N-O 2.89Å; L164-C210 PolarHBondContact O-N 2.68Å; L164-Y212 HydrophobicContact CB-CE2 4.21Å; L164-V231 HydrophobicContact CD1-CB 4.27Å; L164-V231 HydrophobicContact CD1-CG1 3.99Å; L164-V231 HydrophobicContact CD1-CG2 4.49Å; L164-V231 HydrophobicContact CD2-CG1 4.15Å; L164-L238 HydrophobicContact CD1-CD1 3.72Å
165L71.9Confident68.6Low83 Ų8368.1 Ų68.144%0.43542%0.417SS..EExtended strand (participates in β ladder)trans-104.4116.3178.9-63.9171.6000109.7T141 H142 K144T141-L165 WeakPolarHBondContact CA-O 3.47Å; H142-L165 PolarHBondContact N-O 2.88Å; H142-L165 PolarHBondContact O-N 3.17Å; K144-L165 HydrophobicContact CB-CD1 4.48Å
166S66.6Low67.2Low27 Ų2772 Ų7219%0.18943%0.432CS..EExtended strand (participates in β ladder)trans-105.4121173.6-172.50000111.5T168 R208S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 2.99Å; S166-T168 PolarHBondContact OG-O 3.32Å; S166-R208 PolarHBondContact N-O 2.83Å
167S49.3Very low65.6Low97 Ų9771.6 Ų71.668%0.67844%0.439SS*.SBendtrans-73-18.5177.8-167.50000113.8
168T50.8Low64.4Low71 Ų7174.7 Ų74.744%0.43645%0.447SS..SBendtrans-118.2135.7-178.238.50000111.6S166 V170S166-T168 VanDerWaalsContact C-N 3.29Å; S166-T168 PolarHBondContact O-N 2.99Å; S166-T168 PolarHBondContact OG-O 3.32Å; T168-V170 PolarHBondContact O-N 3.29Å; T168-V170 VanDerWaalsContact O-N 3.12Å
169S43.8Very low63.7Low75 Ų7575.7 Ų75.752%0.52445%0.452SS..  trans-65.8108.8163.450.50000108.2N171S169-N171 PolarHBondContact O-N 2.78Å
170V50Low63Low85 Ų8574 Ų7452%0.51544%0.442SS..  trans-59.8110.9171.7179.90000107.2T168 S172T168-V170 PolarHBondContact O-N 3.29Å; T168-V170 VanDerWaalsContact O-N 3.12Å; V170-S172 PolarHBondContact O-N 2.97Å
171N42.1Very low62.7Low140 Ų14074 Ų7475%0.74944%0.443SS*.  trans-55.2127.1169-78.5-27.2000107.6S169 G173S169-N171 PolarHBondContact O-N 2.78Å; N171-G173 PolarHBondContact O-N 2.99Å
172S46.8Very low62.5Low137 Ų13771.6 Ų71.696%0.95843%0.434SS*.THydrogen-bonded Turntrans-71.834.3-153-380000116.6V170V170-S172 PolarHBondContact O-N 2.97Å
173G49.2Very low62.5Low65 Ų6571.6 Ų71.667%0.6743%0.434SS*.THydrogen-bonded Turntrans-126-24.9-175.900000116.4N171N171-G173 PolarHBondContact O-N 2.99Å
174Q49.3Very low62.6Low172 Ų17273.3 Ų73.380%0.80444%0.439SS*.SBendtrans-94.9-15-165.9-148.470.428.100115.9
175C53.3Low62.8Low46 Ų4673.7 Ų73.731%0.31144%0.44SS..  trans-146.592.2177.5-72.90000113.2A177 C234C175-A177 VanDerWaalsContact C-N 3.26Å; C175-A177 PolarHBondContact O-N 3.06Å; C175-C234 HydrophobicContact CB-CB 4.4Å; C175-C234 WeakPolarHBondContact CB-SG 3.38Å; C175-C234 WeakPolarHBondContact SG-CB 3.5Å; C175-C234 CovalentContact SG-SG 2.04Å; C175-C234 PolarHBondContact SG-SG 2.99Å
176P51.2Low63.3Low132 Ų13273 Ų7386%0.85744%0.439SS*.  trans-86.112.7170.834-33.4000113.5K178P176-K178 PolarHBondContact O-N 3.39Å
177A53Low63.7Low64 Ų6472.4 Ų72.453%0.52944%0.437SS..  trans-77.6120.6-176.900000111.5C175 N179C175-A177 VanDerWaalsContact C-N 3.26Å; C175-A177 PolarHBondContact O-N 3.06Å; A177-N179 PolarHBondContact O-N 2.81Å; A177-N179 VanDerWaalsContact O-N 3.1Å
178K63.7Low64.4Low137 Ų13773.6 Ų73.660%0.59643%0.43SS*.  trans-56.6114170.6-178.2176.4176.5179.30109.5P176 N180 N199P176-K178 PolarHBondContact O-N 3.39Å; K178-N180 PolarHBondContact O-N 2.78Å; K178-N199 PolarHBondContact NZ-OD1 2.83Å
179N73.3Confident64.8Low30 Ų3072.8 Ų72.816%0.1644%0.436CS..  trans-53.2124.2176.5-71-18.9000110.3L164 A177 Y212 L232 T233L164-N179 WeakPolarHBondContact CD2-ND2 3.36Å; A177-N179 PolarHBondContact O-N 2.81Å; A177-N179 VanDerWaalsContact O-N 3.1Å; N179-Y212 WeakPolarHBondContact CB-OH 3.3Å; N179-Y212 PolarHBondContact ND2-OH 2.97Å; N179-L232 WeakPolarHBondContact CA-O 3.42Å; N179-T233 VanDerWaalsContact OD1-CB 3.26Å; N179-T233 WeakPolarHBondContact OD1-CB 3.4Å; N179-T233 PolarHBondContact OD1-OG1 2.96Å
180N75.9Confident65Low48 Ų4874.8 Ų74.826%0.25746%0.457SS..EExtended strand (participates in β ladder)trans-101.7141.6175.7-72.4-49.9000109.7K178 Y182 L232K178-N180 PolarHBondContact O-N 2.78Å; N180-Y182 HydrophobicContact CB-CE2 3.96Å; N180-L232 HydrophobicContact CB-CB 4.38Å; N180-L232 PolarHBondContact N-O 3.27Å; N180-L232 PolarHBondContact O-N 3.02Å
181V83.1Confident65Low3 Ų374.5 Ų74.52%0.01846%0.459CS..EExtended strand (participates in β ladder)trans-125.1132.4179.3177.50000111.3Y212 C229 A230 V231V181-Y212 HydrophobicContact CB-CD1 3.87Å; V181-Y212 HydrophobicContact CB-CE1 4.29Å; V181-Y212 HydrophobicContact CB-CG 4.05Å; V181-Y212 HydrophobicContact CG1-CG 4.21Å; V181-Y212 HydrophobicContact CG2-CD1 3.34Å; V181-Y212 HydrophobicContact CG2-CD2 3.64Å; V181-Y212 HydrophobicContact CG2-CE1 3.39Å; V181-Y212 HydrophobicContact CG2-CE2 3.69Å; V181-Y212 HydrophobicContact CG2-CG 3.47Å; V181-Y212 VanDerWaalsContact CG2-CG 3.47Å; V181-C229 WeakPolarHBondContact CG1-SG 3.43Å; V181-A230 WeakPolarHBondContact CA-O 3.48Å; V181-V231 HydrophobicContact CG2-CB 4.21Å; V181-V231 HydrophobicContact CG2-CG1 3.94Å; V181-V231 HydrophobicContact CG2-CG2 3.84Å
182Y85.3Confident65.7Low63 Ų6375 Ų7525%0.24746%0.456CS..EExtended strand (participates in β ladder)trans-120.9130.9-177.4-55.3-72.9000108.4N180 F195 Y197 A230 L232N180-Y182 HydrophobicContact CB-CE2 3.96Å; Y182-F195 HydrophobicContact CD1-CE1 4.04Å; Y182-F195 HydrophobicContact CD1-CE2 4.07Å; Y182-F195 AromaticContact CD1-CZ 3.29Å; Y182-F195 HydrophobicContact CD1-CZ 3.29Å; Y182-F195 HydrophobicContact CE1-CZ 4.01Å; Y182-F195 HydrophobicContact CG-CE2 4.19Å; Y182-F195 AromaticContact CG-CZ 3.86Å; Y182-F195 HydrophobicContact CG-CZ 3.86Å; Y182-Y197 AromaticContact CD1-CD2 3.94Å; Y182-Y197 HydrophobicContact CD1-CD2 3.94Å; Y182-Y197 HydrophobicContact CD1-CE2 4.44Å; Y182-Y197 AromaticContact CE1-CD2 3.85Å; Y182-Y197 HydrophobicContact CE1-CD2 3.85Å; Y182-Y197 AromaticContact CE1-CE2 4Å; Y182-Y197 HydrophobicContact CE1-CE2 4Å; Y182-A230 PolarHBondContact N-O 3.44Å; Y182-A230 PolarHBondContact O-N 3.4Å; Y182-L232 HydrophobicContact CE2-CB 4.08Å; Y182-L232 HydrophobicContact CE2-CD2 4.45Å
183W87.6Confident66.2Low0 Ų073.6 Ų73.60%045%0.446CS..EExtended strand (participates in β ladder)trans-106.6138.2171.6-67.686.9000108.8L160 C162 I196 T198 L214 Y228 C229L160-W183 HydrophobicContact CB-CE3 4.37Å; L160-W183 HydrophobicContact CB-CH2 3.57Å; L160-W183 HydrophobicContact CB-CZ2 4.31Å; L160-W183 HydrophobicContact CB-CZ3 3.61Å; L160-W183 HydrophobicContact CD1-CE3 4.15Å; L160-W183 HydrophobicContact CD1-CZ3 4.03Å; L160-W183 HydrophobicContact CG-CZ3 4.4Å; C162-W183 HydrophobicContact CB-CH2 3.56Å; C162-W183 HydrophobicContact CB-CZ2 3.45Å; C162-W183 VanDerWaalsContact CB-CZ2 3.45Å; W183-I196 HydrophobicContact CB-CB 4.16Å; W183-I196 PolarHBondContact N-O 2.74Å; W183-I196 PolarHBondContact O-N 2.72Å; W183-I196 VanDerWaalsContact O-O 3.12Å; W183-T198 PolarHBondContact NE1-OG1 3.21Å; W183-L214 HydrophobicContact CB-CD2 3.54Å; W183-L214 HydrophobicContact CD2-CB 3.93Å; W183-L214 HydrophobicContact CD2-CD2 3.76Å; W183-L214 HydrophobicContact CE3-CD2 4.16Å; W183-L214 HydrophobicContact CG-CB 4.07Å; W183-L214 HydrophobicContact CG-CD2 3.49Å; W183-L214 VanDerWaalsContact CG-CD2 3.49Å; W183-L214 HydrophobicContact CG-CG 4.4Å; W183-L214 HydrophobicContact CZ2-CB 4.12Å; W183-Y228 WeakPolarHBondContact CA-O 3.46Å; W183-C229 HydrophobicContact CD2-CB 4.32Å; W183-C229 HydrophobicContact CE3-CB 4.04Å; W183-C229 HydrophobicContact CH2-CB 4.05Å; W183-C229 HydrophobicContact CZ2-CB 4.31Å; W183-C229 HydrophobicContact CZ3-CB 3.9Å
184F87.1Confident66.9Low55 Ų5572.7 Ų72.724%0.24143%0.43CS..EExtended strand (participates in β ladder)trans-139144.7174.261.8-81.9000110.1V186 S194 F195 Y228 A230 F239F184-V186 HydrophobicContact CD2-CG2 4.48Å; F184-S194 WeakPolarHBondContact CA-O 3.26Å; F184-F195 HydrophobicContact CB-CD2 4.44Å; F184-Y228 HydrophobicContact CD2-CD2 4.09Å; F184-Y228 HydrophobicContact CD2-CG 4.43Å; F184-Y228 VanDerWaalsContact CE1-CB 3.48Å; F184-Y228 HydrophobicContact CE1-CG 4.5Å; F184-Y228 AromaticContact CE2-CD2 3.62Å; F184-Y228 HydrophobicContact CE2-CD2 3.62Å; F184-Y228 AromaticContact CE2-CG 3.76Å; F184-Y228 HydrophobicContact CE2-CG 3.76Å; F184-Y228 HydrophobicContact CZ-CD2 4.17Å; F184-Y228 AromaticContact CZ-CG 3.81Å; F184-Y228 HydrophobicContact CZ-CG 3.81Å; F184-Y228 PolarHBondContact N-O 3.31Å; F184-Y228 PolarHBondContact O-N 2.72Å; F184-A230 HydrophobicContact CE1-CB 4.05Å; F184-F239 AromaticContact CE1-CD1 3.82Å; F184-F239 HydrophobicContact CE1-CD1 3.82Å; F184-F239 AromaticContact CE1-CE1 3.74Å; F184-F239 HydrophobicContact CE1-CE1 3.74Å; F184-F239 AromaticContact CZ-CD1 3.75Å; F184-F239 HydrophobicContact CZ-CD1 3.75Å; F184-F239 AromaticContact CZ-CE1 3.72Å; F184-F239 HydrophobicContact CZ-CE1 3.72Å
185R85.9Confident67.5Low18 Ų1871.1 Ų71.17%0.06842%0.42CS..EExtended strand (participates in β ladder)trans-110.6134.9-179.3-177.6-165.6155.9-134-12.3109.8S193 S194 S222 D223 A224 I226 Y227R185-S193 VanDerWaalsContact O-CA 3.31Å; R185-S193 WeakPolarHBondContact O-CA 3.4Å; R185-S194 PolarHBondContact N-O 3.11Å; R185-S194 PolarHBondContact O-N 3.12Å; R185-S222 PolarHBondContact NH1-O 2.77Å; R185-S222 PolarHBondContact NH2-O 2.88Å; R185-D223 VanDerWaalsContact CZ-C 3.42Å; R185-D223 PolarHBondContact NE-O 3.3Å; R185-D223 IonicContact NH1-OD1 3.76Å; R185-A224 PolarHBondContact NH2-O 3.45Å; R185-I226 WeakPolarHBondContact CA-O 3.43Å; R185-Y227 HydrophobicContact CB-CD1 4.01Å; R185-Y227 HydrophobicContact CB-CE1 3.99Å; R185-Y227 HydrophobicContact CB-CG 4.45Å; R185-Y227 HydrophobicContact CG-CD1 4.2Å; R185-Y227 HydrophobicContact CG-CD2 4.2Å; R185-Y227 HydrophobicContact CG-CE1 3.98Å; R185-Y227 HydrophobicContact CG-CE2 3.98Å; R185-Y227 HydrophobicContact CG-CG 4.32Å
186V82.7Confident68.2Low69 Ų6970.8 Ų70.842%0.41842%0.415SS..EExtended strand (participates in β ladder)trans-106.4114166.1-177.10000107.6F184 G225 I226 Y228F184-V186 HydrophobicContact CD2-CG2 4.48Å; V186-G225 CarbonylContact O-C 3.58Å; V186-G225 VanDerWaalsContact O-CA 3.26Å; V186-G225 WeakPolarHBondContact O-CA 3.37Å; V186-I226 PolarHBondContact N-O 3.17Å; V186-I226 PolarHBondContact O-N 3.48Å; V186-Y228 HydrophobicContact CB-CE2 4.21Å; V186-Y228 HydrophobicContact CG2-CD2 4.02Å; V186-Y228 HydrophobicContact CG2-CE2 3.76Å
187G74.1Confident68.8Low13 Ų1370.3 Ų70.313%0.13440%0.397CS..EExtended strand (participates in β ladder)trans-74.6158.7177.700000112.6G189G187-G189 PolarHBondContact O-N 3.02Å
188F63.8Low69.2Low123 Ų12368.2 Ų68.254%0.53938%0.378SS..SBendtrans-78.167171.4-60.3-62.9000110.8A224 I226 K244F188-A224 HydrophobicContact CD2-CB 4.36Å; F188-A224 HydrophobicContact CE2-CB 4.49Å; F188-I226 HydrophobicContact CE1-CG1 4.16Å; F188-I226 HydrophobicContact CZ-CG1 4.24Å; F188-K244 HydrophobicContact CZ-CG 4.07Å
189G60.2Low69.1Low54 Ų5465.5 Ų65.556%0.55737%0.37SS*.SBendtrans164.3166.9-178.500000112.9G187 S191G187-G189 PolarHBondContact O-N 3.02Å; G189-S191 PolarHBondContact O-N 2.69Å; G189-S191 VanDerWaalsContact O-N 3.12Å
190A47.3Very low68.5Low117 Ų11771.3 Ų71.397%0.96739%0.394SS*.SBendtrans-74.34.4-173.900000115.2
191S50.9Low68.1Low79 Ų7971.8 Ų71.855%0.55240%0.4SS*.SBendtrans-125.4125.8-174.3540000112.4G189G189-S191 PolarHBondContact O-N 2.69Å; G189-S191 VanDerWaalsContact O-N 3.12Å
192H55.1Low67.3Low150 Ų15076 Ų7669%0.69443%0.43SS*.  trans7579.5170.4-41.5-64.2000116.6
193S58.8Low66.5Low108 Ų10875.4 Ų75.476%0.75544%0.435SS*.  trans-67.3129.7145.951.40000109.1R185R185-S193 VanDerWaalsContact O-CA 3.31Å; R185-S193 WeakPolarHBondContact O-CA 3.4Å
194S64Low65.2Low45 Ų4580 Ų8032%0.31546%0.459SS..EExtended strand (participates in β ladder)trans-120.4136.7178.662.20000111.4F184 R185F184-S194 WeakPolarHBondContact CA-O 3.26Å; R185-S194 PolarHBondContact N-O 3.11Å; R185-S194 PolarHBondContact O-N 3.12Å
195F62Low63.7Low139 Ų13983 Ų8361%0.6150%0.495SS*.EExtended strand (participates in β ladder)trans-103.3128.2-179.5-173.5-99.1000109.8Y182 F184Y182-F195 HydrophobicContact CD1-CE1 4.04Å; Y182-F195 HydrophobicContact CD1-CE2 4.07Å; Y182-F195 AromaticContact CD1-CZ 3.29Å; Y182-F195 HydrophobicContact CD1-CZ 3.29Å; Y182-F195 HydrophobicContact CE1-CZ 4.01Å; Y182-F195 HydrophobicContact CG-CE2 4.19Å; Y182-F195 AromaticContact CG-CZ 3.86Å; Y182-F195 HydrophobicContact CG-CZ 3.86Å; F184-F195 HydrophobicContact CB-CD2 4.44Å
196I67.4Low62.2Low40 Ų4088.3 Ų88.321%0.20552%0.52CS..EExtended strand (participates in β ladder)trans-123.4109.9-176.2-55.3175.6000107.7W183 T198 L214 Y227W183-I196 HydrophobicContact CB-CB 4.16Å; W183-I196 PolarHBondContact N-O 2.74Å; W183-I196 PolarHBondContact O-N 2.72Å; W183-I196 VanDerWaalsContact O-O 3.12Å; I196-T198 HydrophobicContact CG2-CG2 4.2Å; I196-L214 HydrophobicContact CB-CD2 4.44Å; I196-L214 HydrophobicContact CD1-CD2 4.21Å; I196-L214 HydrophobicContact CG2-CD1 3.87Å; I196-L214 HydrophobicContact CG2-CD2 4.1Å; I196-Y227 HydrophobicContact CD1-CE1 4.38Å
197Y63.1Low61.1Low122 Ų12291.6 Ų91.648%0.47853%0.531SS..EExtended strand (participates in β ladder)trans-84130.5175.7178.6-104000111Y182 N199Y182-Y197 AromaticContact CD1-CD2 3.94Å; Y182-Y197 HydrophobicContact CD1-CD2 3.94Å; Y182-Y197 HydrophobicContact CD1-CE2 4.44Å; Y182-Y197 AromaticContact CE1-CD2 3.85Å; Y182-Y197 HydrophobicContact CE1-CD2 3.85Å; Y182-Y197 AromaticContact CE1-CE2 4Å; Y182-Y197 HydrophobicContact CE1-CE2 4Å; Y197-N199 HydrophobicContact CE1-CB 4.15Å; Y197-N199 PolarHBondContact OH-ND2 2.9Å
198T62.1Low60.5Low20 Ų2097 Ų9712%0.12355%0.547CS..  trans-136.7128.5175.864.30000111.8W183 I196 L214W183-T198 PolarHBondContact NE1-OG1 3.21Å; I196-T198 HydrophobicContact CG2-CG2 4.2Å; T198-L214 HydrophobicContact CG2-CB 4.23Å; T198-L214 HydrophobicContact CG2-CD1 3.78Å; T198-L214 HydrophobicContact CG2-CG 4.46Å
199N61.3Low60.8Low80 Ų8092.6 Ų92.643%0.42853%0.532SS..  trans-111.535.5175.9-154.2-30.7000111.5K178 Y197K178-N199 PolarHBondContact NZ-OD1 2.83Å; Y197-N199 HydrophobicContact CE1-CB 4.15Å; Y197-N199 PolarHBondContact OH-ND2 2.9Å
200K60.9Low61.7Low152 Ų15290 Ų9066%0.66151%0.505SS*.  trans-98.3109.3171.3-73.5-173.1178.8-178.60108.6
201S68.1Low63.3Low57 Ų5787 Ų8740%0.39947%0.473SS..EExtended strand (participates in β ladder)trans-135.2132.1-178.861.10000110.4Y212S201-Y212 VanDerWaalsContact CB-CD1 3.49Å
202S64.8Low65Low92 Ų9283.4 Ų83.464%0.64345%0.447SS*.EExtended strand (participates in β ladder)trans-116.3112.7167-171.80000107.9D211S202-D211 PolarHBondContact N-O 2.72Å; S202-D211 PolarHBondContact O-N 3.05Å
203C68.9Low66.5Low51 Ų5180.3 Ų80.335%0.34543%0.433SS..EExtended strand (participates in β ladder)trans-114.4143.8178.4-67.90000109.8C210C203-C210 HydrophobicContact CB-CB 4.13Å; C203-C210 WeakPolarHBondContact CB-SG 3.16Å; C203-C210 WeakPolarHBondContact SG-CB 3.36Å; C203-C210 CovalentContact SG-SG 2.04Å; C203-C210 PolarHBondContact SG-SG 3.29Å
204D60.8Low67.8Low95 Ų9575.7 Ų75.751%0.50840%0.4SS..  trans-59.1152.2169.5-73.4-31.4000110.9Q206 Q207 S209D204-Q206 PolarHBondContact O-N 3.06Å; D204-Q207 PolarHBondContact O-N 2.83Å; D204-S209 PolarHBondContact N-O 3.18Å; D204-S209 WeakPolarHBondContact OD2-CB 3.32Å
205A54.5Low68.9Low120 Ų12076.7 Ų76.799%0.99241%0.407SS*.THydrogen-bonded Turntrans-56.7-17177.600000114
206Q55.8Low70.1Confident128 Ų12872 Ų7260%0.59839%0.386SS*.THydrogen-bonded Turntrans-107.56.8178.3-131.8171.523.400113.7D204 R208D204-Q206 PolarHBondContact O-N 3.06Å; Q206-R208 HydrophobicContact CB-CG 4.41Å; Q206-R208 PolarHBondContact O-N 2.97Å
207Q60.1Low71Confident139 Ų13973 Ų7365%0.6539%0.394SS*.SBendtrans51.820.5-179-66.4-176.7-19.300116D204D204-Q207 PolarHBondContact O-N 2.83Å
208R61.5Low72.1Confident126 Ų12667.2 Ų67.248%0.47537%0.372SS..SBendtrans-72.6-35.6177.7-73.2177.2174.2166.7-2.2113S166 Q206S166-R208 PolarHBondContact N-O 2.83Å; Q206-R208 HydrophobicContact CB-CG 4.41Å; Q206-R208 PolarHBondContact O-N 2.97Å
209S69.5Low73Confident30 Ų3073.2 Ų73.221%0.2140%0.398CS..EExtended strand (participates in β ladder)trans-127.1136.7172.3-165.90000109.7L164 D204L164-S209 WeakPolarHBondContact O-CA 3.31Å; D204-S209 PolarHBondContact N-O 3.18Å; D204-S209 WeakPolarHBondContact OD2-CB 3.32Å
210C78.1Confident73.7Confident1 Ų172.3 Ų72.31%0.00740%0.395CS..EExtended strand (participates in β ladder)trans-131.8119.6170.4-74.50000109.7S163 L164 C203 Y212S163-C210 WeakPolarHBondContact CA-O 3.37Å; L164-C210 HydrophobicContact CB-CB 4.25Å; L164-C210 PolarHBondContact N-O 2.89Å; L164-C210 PolarHBondContact O-N 2.68Å; C203-C210 HydrophobicContact CB-CB 4.13Å; C203-C210 WeakPolarHBondContact CB-SG 3.16Å; C203-C210 WeakPolarHBondContact SG-CB 3.36Å; C203-C210 CovalentContact SG-SG 2.04Å; C203-C210 PolarHBondContact SG-SG 3.29Å; C210-Y212 HydrophobicContact CB-CE2 3.56Å; C210-Y212 WeakPolarHBondContact CB-OH 3.46Å; C210-Y212 WeakPolarHBondContact O-CE2 3.32Å
211D82.6Confident74.5Confident52 Ų5269.2 Ų69.228%0.27839%0.393SS..EExtended strand (participates in β ladder)trans-99.1128.3175.6-84.1-7.6000110.7R161 S163 S202R161-D211 IonicContact NH1-OD2 3.87Å; S163-D211 WeakPolarHBondContact CB-OD1 3.14Å; S163-D211 PolarHBondContact OG-OD1 3.12Å; S202-D211 PolarHBondContact N-O 2.72Å; S202-D211 PolarHBondContact O-N 3.05Å
212Y85.1Confident74.9Confident4 Ų470.4 Ų70.42%0.01640%0.401CS..EExtended strand (participates in β ladder)trans-118.7132.5177.2-53.9-88.6000109R161 C162 L164 N179 V181 S201 C210 V231R161-Y212 WeakPolarHBondContact CA-O 2.99Å; C162-Y212 PolarHBondContact N-O 2.82Å; C162-Y212 WeakPolarHBondContact O-CD2 3.02Å; C162-Y212 PolarHBondContact O-N 2.94Å; L164-Y212 HydrophobicContact CB-CE2 4.21Å; N179-Y212 WeakPolarHBondContact CB-OH 3.3Å; N179-Y212 PolarHBondContact ND2-OH 2.97Å; V181-Y212 HydrophobicContact CB-CD1 3.87Å; V181-Y212 HydrophobicContact CB-CE1 4.29Å; V181-Y212 HydrophobicContact CB-CG 4.05Å; V181-Y212 HydrophobicContact CG1-CG 4.21Å; V181-Y212 HydrophobicContact CG2-CD1 3.34Å; V181-Y212 HydrophobicContact CG2-CD2 3.64Å; V181-Y212 HydrophobicContact CG2-CE1 3.39Å; V181-Y212 HydrophobicContact CG2-CE2 3.69Å; V181-Y212 HydrophobicContact CG2-CG 3.47Å; V181-Y212 VanDerWaalsContact CG2-CG 3.47Å; S201-Y212 VanDerWaalsContact CB-CD1 3.49Å; C210-Y212 HydrophobicContact CB-CE2 3.56Å; C210-Y212 WeakPolarHBondContact CB-OH 3.46Å; C210-Y212 WeakPolarHBondContact O-CE2 3.32Å; Y212-V231 HydrophobicContact CE2-CG1 4.46Å
213Q86.2Confident75.6Confident86 Ų8666.9 Ų66.940%0.40238%0.375SS..EExtended strand (participates in β ladder)trans-126.1126.9-175.4-173.8174.2-17.400111.8N159 L160N159-Q213 PolarHBondContact OD1-NE2 2.87Å; N159-Q213 VanDerWaalsContact OD1-NE2 3.17Å; L160-Q213 WeakPolarHBondContact O-CA 3.4Å
214L87.1Confident76.3Confident11 Ų1164.9 Ų64.96%0.05836%0.363CS..EExtended strand (participates in β ladder)trans-110.9121.9169.5165.759.6000109.1L160 W183 I196 T198 K216L160-L214 HydrophobicContact CB-CB 4.37Å; L160-L214 HydrophobicContact CD1-CD2 4Å; L160-L214 HydrophobicContact CD1-CG 4.34Å; L160-L214 PolarHBondContact N-O 3.26Å; L160-L214 PolarHBondContact O-N 3.28Å; W183-L214 HydrophobicContact CB-CD2 3.54Å; W183-L214 HydrophobicContact CD2-CB 3.93Å; W183-L214 HydrophobicContact CD2-CD2 3.76Å; W183-L214 HydrophobicContact CE3-CD2 4.16Å; W183-L214 HydrophobicContact CG-CB 4.07Å; W183-L214 HydrophobicContact CG-CD2 3.49Å; W183-L214 VanDerWaalsContact CG-CD2 3.49Å; W183-L214 HydrophobicContact CG-CG 4.4Å; W183-L214 HydrophobicContact CZ2-CB 4.12Å; I196-L214 HydrophobicContact CB-CD2 4.44Å; I196-L214 HydrophobicContact CD1-CD2 4.21Å; I196-L214 HydrophobicContact CG2-CD1 3.87Å; I196-L214 HydrophobicContact CG2-CD2 4.1Å; T198-L214 HydrophobicContact CG2-CB 4.23Å; T198-L214 HydrophobicContact CG2-CD1 3.78Å; T198-L214 HydrophobicContact CG2-CG 4.46Å; L214-K216 HydrophobicContact CD1-CB 4.44Å; L214-K216 HydrophobicContact CG-CB 4.36Å
215S87.9Confident77.5Confident65 Ų6560.4 Ų60.446%0.45534%0.338SS..EExtended strand (participates in β ladder)trans-96.4119166-53.30000108.6V158 N159V158-S215 CarbonylContact O-C 3.42Å; V158-S215 WeakPolarHBondContact O-CA 3.39Å; N159-S215 WeakPolarHBondContact OD1-CB 3.32Å; N159-S215 PolarHBondContact OD1-OG 2.87Å
216K86.3Confident79.1Confident41 Ų4156.8 Ų56.818%0.17830%0.302CS..EExtended strand (participates in β ladder)trans-126.1115.9-179.216758.3177144.20109.9V158 L214 I218 D223 Y227V158-K216 PolarHBondContact N-O 2.81Å; V158-K216 PolarHBondContact O-N 2.84Å; L214-K216 HydrophobicContact CD1-CB 4.44Å; L214-K216 HydrophobicContact CG-CB 4.36Å; K216-I218 HydrophobicContact CG-CD1 4.08Å; K216-D223 WeakPolarHBondContact CE-OD1 3.46Å; K216-D223 IonicContact NZ-OD1 2.77Å; K216-D223 PolarHBondContact NZ-OD1 2.96Å; K216-D223 IonicContact NZ-OD2 2.84Å; K216-D223 PolarHBondContact NZ-OD2 3.24Å; K216-Y227 WeakPolarHBondContact CE-OH 3.21Å; K216-Y227 HydrophobicContact CG-CE1 3.84Å
217T87.1Confident80.6Confident62 Ų6250.7 Ų50.738%0.3827%0.274SS..EExtended strand (participates in β ladder)trans-76.3132170.7-47.70000110.1D156 T157D156-T217 CarbonylContact O-C 3.54Å; D156-T217 WeakPolarHBondContact O-CA 3.25Å; T157-T217 PolarHBondContact OG1-OG1 2.93Å
218I84.8Confident81.9Confident0 Ų047 Ų470%025%0.254CS..  trans-97.2109.4-177.1-57-62.1000106.9V152 G155 D156 V158 K216 D223 Y227 V245 M247V152-I218 HydrophobicContact CG2-CB 4.5Å; V152-I218 HydrophobicContact CG2-CG1 4.18Å; V152-I218 HydrophobicContact CG2-CG2 4.18Å; G155-I218 PolarHBondContact N-O 3.32Å; D156-I218 PolarHBondContact O-N 2.94Å; V158-I218 HydrophobicContact CG2-CD1 4.32Å; V158-I218 HydrophobicContact CG2-CG1 3.91Å; K216-I218 HydrophobicContact CG-CD1 4.08Å; I218-D223 HydrophobicContact CB-CB 4.44Å; I218-D223 HydrophobicContact CD1-CB 3.99Å; I218-D223 HydrophobicContact CG2-CB 3.87Å; I218-Y227 WeakPolarHBondContact CD1-OH 3.36Å; I218-V245 HydrophobicContact CD1-CG1 4.1Å; I218-V245 HydrophobicContact CG1-CG1 4.44Å; I218-M247 HydrophobicContact CG2-CE 4.15Å; I218-M247 HydrophobicContact CG2-SD 3.81Å
219Q80.7Confident83.2Confident146 Ų14641 Ų4168%0.68223%0.232SC*.  trans-93.3-25.3-172.6-68.6-172.1-31.600113.7D223Q219-D223 PolarHBondContact N-OD2 2.93Å
220T77.8Confident84Confident60 Ų6040 Ų4037%0.36822%0.224SC..SBendtrans-154.6167.6-176.458.30000109.7D154 S222 D223D154-T220 VanDerWaalsContact OD1-CA 3.24Å; D154-T220 WeakPolarHBondContact OD1-CA 3.42Å; T220-S222 PolarHBondContact O-N 2.89Å; T220-S222 PolarHBondContact OG1-N 2.86Å; T220-S222 PolarHBondContact OG1-OG 2.98Å; T220-D223 WeakPolarHBondContact O-CB 3.41Å; T220-D223 PolarHBondContact O-N 3.37Å
221S76.1Confident84.3Confident88 Ų8839.9 Ų39.962%0.61522%0.224SC*.G310 helixtrans-53.6-25.3166.562.20000114.2D223 A224S221-D223 PolarHBondContact O-N 2.84Å; S221-A224 WeakPolarHBondContact O-CB 3.41Å; S221-A224 PolarHBondContact O-N 2.77Å; S221-A224 VanDerWaalsContact O-N 3.11Å
222S77.3Confident84.1Confident81 Ų8140.1 Ų40.157%0.56623%0.225SC*.G310 helixtrans-72.40.5173.881.10000114.7R185 T220R185-S222 PolarHBondContact NH1-O 2.77Å; R185-S222 PolarHBondContact NH2-O 2.88Å; T220-S222 PolarHBondContact O-N 2.89Å; T220-S222 PolarHBondContact OG1-N 2.86Å; T220-S222 PolarHBondContact OG1-OG 2.98Å
223D80.5Confident83.5Confident19 Ų1941.1 Ų41.110%0.10223%0.232CC..G310 helixtrans-95.6-10166.8-91.7-39.2000113.8R185 K216 I218 Q219 T220 S221 Y227R185-D223 VanDerWaalsContact CZ-C 3.42Å; R185-D223 PolarHBondContact NE-O 3.3Å; R185-D223 IonicContact NH1-OD1 3.76Å; K216-D223 WeakPolarHBondContact CE-OD1 3.46Å; K216-D223 IonicContact NZ-OD1 2.77Å; K216-D223 PolarHBondContact NZ-OD1 2.96Å; K216-D223 IonicContact NZ-OD2 2.84Å; K216-D223 PolarHBondContact NZ-OD2 3.24Å; I218-D223 HydrophobicContact CB-CB 4.44Å; I218-D223 HydrophobicContact CD1-CB 3.99Å; I218-D223 HydrophobicContact CG2-CB 3.87Å; Q219-D223 PolarHBondContact N-OD2 2.93Å; T220-D223 WeakPolarHBondContact O-CB 3.41Å; T220-D223 PolarHBondContact O-N 3.37Å; S221-D223 PolarHBondContact O-N 2.84Å; D223-Y227 PolarHBondContact O-OH 2.76Å
224A83.2Confident82.8Confident9 Ų940.3 Ų40.37%0.07424%0.235CC..  trans-72.2141177.400000112.1R185 F188 S221 M247R185-A224 PolarHBondContact NH2-O 3.45Å; F188-A224 HydrophobicContact CD2-CB 4.36Å; F188-A224 HydrophobicContact CE2-CB 4.49Å; S221-A224 WeakPolarHBondContact O-CB 3.41Å; S221-A224 PolarHBondContact O-N 2.77Å; S221-A224 VanDerWaalsContact O-N 3.11Å; A224-M247 HydrophobicContact CB-CG 3.86Å; A224-M247 HydrophobicContact CB-SD 4.04Å
225G85.6Confident81.6Confident0 Ų043.3 Ų43.30%027%0.268CS..EExtended strand (participates in β ladder)trans164.7-170.3-17200000112.4V186 V245V186-G225 CarbonylContact O-C 3.58Å; V186-G225 VanDerWaalsContact O-CA 3.26Å; V186-G225 WeakPolarHBondContact O-CA 3.37Å; G225-V245 PolarHBondContact N-O 3.45Å; G225-V245 PolarHBondContact O-N 2.93Å
226I87.2Confident80.8Confident44 Ų4444.4 Ų44.423%0.22627%0.265CS..EExtended strand (participates in β ladder)trans-101.2124.5173.5-48.2175.4000108.5R185 V186 F188 Y228 T243R185-I226 WeakPolarHBondContact CA-O 3.43Å; V186-I226 PolarHBondContact N-O 3.17Å; V186-I226 PolarHBondContact O-N 3.48Å; F188-I226 HydrophobicContact CE1-CG1 4.16Å; F188-I226 HydrophobicContact CZ-CG1 4.24Å; I226-Y228 HydrophobicContact CB-CD2 4.48Å; I226-Y228 HydrophobicContact CB-CE2 3.75Å; I226-Y228 HydrophobicContact CG2-CD2 4.15Å; I226-Y228 HydrophobicContact CG2-CE1 3.95Å; I226-Y228 HydrophobicContact CG2-CE2 3.53Å; I226-Y228 VanDerWaalsContact CG2-CZ 3.42Å; I226-T243 WeakPolarHBondContact CA-O 3.34Å
227Y87.6Confident80.4Confident1 Ų147.2 Ų47.20%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-101.9115.4178.6-72.5-103.1000109.9Q145 L160 R185 I196 K216 I218 D223 G242 T243 V245Q145-Y227 PolarHBondContact NE2-O 3.37Å; L160-Y227 HydrophobicContact CD1-CD1 3.65Å; L160-Y227 HydrophobicContact CD1-CE1 4.45Å; L160-Y227 HydrophobicContact CD1-CG 3.67Å; R185-Y227 HydrophobicContact CB-CD1 4.01Å; R185-Y227 HydrophobicContact CB-CE1 3.99Å; R185-Y227 HydrophobicContact CB-CG 4.45Å; R185-Y227 HydrophobicContact CG-CD1 4.2Å; R185-Y227 HydrophobicContact CG-CD2 4.2Å; R185-Y227 HydrophobicContact CG-CE1 3.98Å; R185-Y227 HydrophobicContact CG-CE2 3.98Å; R185-Y227 HydrophobicContact CG-CG 4.32Å; I196-Y227 HydrophobicContact CD1-CE1 4.38Å; K216-Y227 WeakPolarHBondContact CE-OH 3.21Å; K216-Y227 HydrophobicContact CG-CE1 3.84Å; I218-Y227 WeakPolarHBondContact CD1-OH 3.36Å; D223-Y227 PolarHBondContact O-OH 2.76Å; Y227-G242 CarbonylContact O-C 3.58Å; Y227-G242 WeakPolarHBondContact O-CA 3.24Å; Y227-T243 PolarHBondContact N-O 3.29Å; Y227-T243 PolarHBondContact O-N 2.97Å; Y227-V245 HydrophobicContact CD2-CB 4.02Å; Y227-V245 HydrophobicContact CD2-CG2 3.46Å; Y227-V245 VanDerWaalsContact CD2-CG2 3.46Å; Y227-V245 HydrophobicContact CE2-CB 3.84Å; Y227-V245 HydrophobicContact CE2-CG1 4.41Å; Y227-V245 HydrophobicContact CE2-CG2 3.64Å; Y227-V245 HydrophobicContact CG-CG2 4.48Å
228Y88.2Confident80.1Confident62 Ų6245.9 Ų45.924%0.24327%0.271CS..EExtended strand (participates in β ladder)trans-103.4145.4-179.5-64.6-82.8000111.2W183 F184 V186 I226W183-Y228 WeakPolarHBondContact CA-O 3.46Å; F184-Y228 HydrophobicContact CD2-CD2 4.09Å; F184-Y228 HydrophobicContact CD2-CG 4.43Å; F184-Y228 VanDerWaalsContact CE1-CB 3.48Å; F184-Y228 HydrophobicContact CE1-CG 4.5Å; F184-Y228 AromaticContact CE2-CD2 3.62Å; F184-Y228 HydrophobicContact CE2-CD2 3.62Å; F184-Y228 AromaticContact CE2-CG 3.76Å; F184-Y228 HydrophobicContact CE2-CG 3.76Å; F184-Y228 HydrophobicContact CZ-CD2 4.17Å; F184-Y228 AromaticContact CZ-CG 3.81Å; F184-Y228 HydrophobicContact CZ-CG 3.81Å; F184-Y228 PolarHBondContact N-O 3.31Å; F184-Y228 PolarHBondContact O-N 2.72Å; V186-Y228 HydrophobicContact CB-CE2 4.21Å; V186-Y228 HydrophobicContact CG2-CD2 4.02Å; V186-Y228 HydrophobicContact CG2-CE2 3.76Å; I226-Y228 HydrophobicContact CB-CD2 4.48Å; I226-Y228 HydrophobicContact CB-CE2 3.75Å; I226-Y228 HydrophobicContact CG2-CD2 4.15Å; I226-Y228 HydrophobicContact CG2-CE1 3.95Å; I226-Y228 HydrophobicContact CG2-CE2 3.53Å; I226-Y228 VanDerWaalsContact CG2-CZ 3.42Å
229C88.6Confident80.2Confident0 Ų051.8 Ų51.80%030%0.297CS..EExtended strand (participates in β ladder)trans-102.5136.7168.2-178.40000109.5Q145 C162 V181 W183 F239 G240Q145-C229 HydrophobicContact CG-CB 3.95Å; C162-C229 HydrophobicContact CB-CB 3.58Å; C162-C229 WeakPolarHBondContact CB-SG 3.46Å; C162-C229 WeakPolarHBondContact SG-CB 3.18Å; C162-C229 CovalentContact SG-SG 2.03Å; C162-C229 PolarHBondContact SG-SG 3.23Å; V181-C229 WeakPolarHBondContact CG1-SG 3.43Å; W183-C229 HydrophobicContact CD2-CB 4.32Å; W183-C229 HydrophobicContact CE3-CB 4.04Å; W183-C229 HydrophobicContact CH2-CB 4.05Å; W183-C229 HydrophobicContact CZ2-CB 4.31Å; W183-C229 HydrophobicContact CZ3-CB 3.9Å; C229-F239 WeakPolarHBondContact O-CA 3.33Å; C229-G240 PolarHBondContact O-N 3.47Å
230A87.3Confident80.4Confident7 Ų745.1 Ų45.16%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-123.4118.6167.700000109.5V181 Y182 F184 I237 L238 F239V181-A230 WeakPolarHBondContact CA-O 3.48Å; Y182-A230 PolarHBondContact N-O 3.44Å; Y182-A230 PolarHBondContact O-N 3.4Å; F184-A230 HydrophobicContact CE1-CB 4.05Å; A230-I237 HydrophobicContact CB-CG2 4.03Å; A230-L238 CarbonylContact C-O 3.4Å; A230-L238 WeakPolarHBondContact CA-O 3.45Å; A230-F239 HydrophobicContact CB-CD1 3.9Å; A230-F239 HydrophobicContact CB-CE1 3.84Å
231V83.1Confident80.7Confident0 Ų048 Ų480%028%0.277CS..EExtended strand (participates in β ladder)trans-101.7120.2177.3-172.60000109.2V143 L164 V181 Y212 L238V143-V231 HydrophobicContact CG1-CG2 4.1Å; V143-V231 HydrophobicContact CG2-CB 4.09Å; V143-V231 HydrophobicContact CG2-CG2 3.71Å; L164-V231 HydrophobicContact CD1-CB 4.27Å; L164-V231 HydrophobicContact CD1-CG1 3.99Å; L164-V231 HydrophobicContact CD1-CG2 4.49Å; L164-V231 HydrophobicContact CD2-CG1 4.15Å; V181-V231 HydrophobicContact CG2-CB 4.21Å; V181-V231 HydrophobicContact CG2-CG1 3.94Å; V181-V231 HydrophobicContact CG2-CG2 3.84Å; Y212-V231 HydrophobicContact CE2-CG1 4.46Å; V231-L238 PolarHBondContact N-O 3.01Å; V231-L238 PolarHBondContact O-N 3.38Å
232L77.8Confident81.1Confident57 Ų5744.3 Ų44.330%0.29825%0.252SS..EExtended strand (participates in β ladder)trans-92.3115.2173.4-179.173.1000109.2N179 N180 Y182 K236 I237N179-L232 WeakPolarHBondContact CA-O 3.42Å; N180-L232 HydrophobicContact CB-CB 4.38Å; N180-L232 PolarHBondContact N-O 3.27Å; N180-L232 PolarHBondContact O-N 3.02Å; Y182-L232 HydrophobicContact CE2-CB 4.08Å; Y182-L232 HydrophobicContact CE2-CD2 4.45Å; L232-K236 WeakPolarHBondContact CA-O 3.41Å; L232-I237 HydrophobicContact CD1-CG1 3.67Å
233T74.3Confident81.6Confident25 Ų2540.4 Ų40.415%0.15323%0.225CC..EExtended strand (participates in β ladder)trans-142134.3179.1-168.40000110.8N179 G235 K236 L238N179-T233 VanDerWaalsContact OD1-CB 3.26Å; N179-T233 WeakPolarHBondContact OD1-CB 3.4Å; N179-T233 PolarHBondContact OD1-OG1 2.96Å; T233-G235 PolarHBondContact O-N 3.24Å; T233-K236 PolarHBondContact N-O 3.46Å; T233-K236 PolarHBondContact O-N 3.34Å; T233-K236 VanDerWaalsContact O-O 3.1Å; T233-L238 HydrophobicContact CG2-CD1 3.65Å; T233-L238 HydrophobicContact CG2-CG 4.43Å
234C70.1Confident82Confident69 Ų6943.3 Ų43.347%0.46624%0.237SC..THydrogen-bonded Turntrans47.334.6-179.5-64.50000115.6C175 K236C175-C234 HydrophobicContact CB-CB 4.4Å; C175-C234 WeakPolarHBondContact CB-SG 3.38Å; C175-C234 WeakPolarHBondContact SG-CB 3.5Å; C175-C234 CovalentContact SG-SG 2.04Å; C175-C234 PolarHBondContact SG-SG 2.99Å; C234-K236 PolarHBondContact O-N 2.92Å
235G62.8Low82.2Confident74 Ų7442.9 Ų42.976%0.76323%0.233SC*.THydrogen-bonded Turntrans760.6-176.700000115.5T233T233-G235 PolarHBondContact O-N 3.24Å
236K70.4Confident82.3Confident87 Ų8746.3 Ų46.338%0.37825%0.25SC..EExtended strand (participates in β ladder)trans-96.1144.1169.6-62.6-175.9175.2-171.90110.2S137 T139 L232 T233 C234S137-K236 PolarHBondContact OG-NZ 2.92Å; T139-K236 PolarHBondContact OG1-NZ 2.03Å; L232-K236 WeakPolarHBondContact CA-O 3.41Å; T233-K236 PolarHBondContact N-O 3.46Å; T233-K236 PolarHBondContact O-N 3.34Å; T233-K236 VanDerWaalsContact O-O 3.1Å; C234-K236 PolarHBondContact O-N 2.92Å
237I78.4Confident82.1Confident100 Ų10046.8 Ų46.851%0.51325%0.251SS..EExtended strand (participates in β ladder)trans-103.7124.8168.1-59.9172.3000107.5A230 L232 F239A230-I237 HydrophobicContact CB-CG2 4.03Å; L232-I237 HydrophobicContact CD1-CG1 3.67Å; I237-F239 HydrophobicContact CG2-CD2 4.31Å; I237-F239 HydrophobicContact CG2-CE1 4.26Å; I237-F239 HydrophobicContact CG2-CE2 3.77Å; I237-F239 HydrophobicContact CG2-CZ 3.75Å
238L81.5Confident81.6Confident35 Ų3548.7 Ų48.718%0.18327%0.265CS..EExtended strand (participates in β ladder)trans-112.5119.9178.4-58.5169.5000108.5T141 V143 L164 A230 V231 T233T141-L238 HydrophobicContact CG2-CD1 3.57Å; T141-L238 WeakPolarHBondContact O-CD1 3.26Å; V143-L238 HydrophobicContact CG2-CB 3.55Å; V143-L238 HydrophobicContact CG2-CD1 4.39Å; L164-L238 HydrophobicContact CD1-CD1 3.72Å; A230-L238 CarbonylContact C-O 3.4Å; A230-L238 WeakPolarHBondContact CA-O 3.45Å; V231-L238 PolarHBondContact N-O 3.01Å; V231-L238 PolarHBondContact O-N 3.38Å; T233-L238 HydrophobicContact CG2-CD1 3.65Å; T233-L238 HydrophobicContact CG2-CG 4.43Å
239F85.6Confident80.2Confident123 Ų12354.3 Ų54.354%0.53930%0.296SS..EExtended strand (participates in β ladder)trans-91.2141.2176.7-65.3-83.5000110.3F184 C229 A230 I237F184-F239 AromaticContact CE1-CD1 3.82Å; F184-F239 HydrophobicContact CE1-CD1 3.82Å; F184-F239 AromaticContact CE1-CE1 3.74Å; F184-F239 HydrophobicContact CE1-CE1 3.74Å; F184-F239 AromaticContact CZ-CD1 3.75Å; F184-F239 HydrophobicContact CZ-CD1 3.75Å; F184-F239 AromaticContact CZ-CE1 3.72Å; F184-F239 HydrophobicContact CZ-CE1 3.72Å; C229-F239 WeakPolarHBondContact O-CA 3.33Å; A230-F239 HydrophobicContact CB-CD1 3.9Å; A230-F239 HydrophobicContact CB-CE1 3.84Å; I237-F239 HydrophobicContact CG2-CD2 4.31Å; I237-F239 HydrophobicContact CG2-CE1 4.26Å; I237-F239 HydrophobicContact CG2-CE2 3.77Å; I237-F239 HydrophobicContact CG2-CZ 3.75Å
240G84.3Confident78.6Confident6 Ų656.3 Ų56.36%0.06232%0.316CS..  trans-84.2164.5164.100000112.1V143 Q145 C229 G242V143-G240 WeakPolarHBondContact O-CA 3.39Å; Q145-G240 VanDerWaalsContact OE1-C 3.25Å; Q145-G240 VanDerWaalsContact OE1-CA 3.3Å; Q145-G240 PolarHBondContact OE1-O 3Å; C229-G240 PolarHBondContact O-N 3.47Å; G240-G242 PolarHBondContact O-N 3.46Å; G240-G242 VanDerWaalsContact O-N 3.12Å
241E84.3Confident76.6Confident121 Ų12161 Ų6157%0.56535%0.348SS*.  trans-65.3-14.9-175.1-64.5158.6149.100113.9H142H142-E241 IonicContact CE1-OE1 2.71Å
242G85.7Confident74.8Confident10 Ų1065.2 Ų65.210%0.10338%0.378CS..  trans90.1152.7-176.900000113.8Q145 Y227 G240Q145-G242 VanDerWaalsContact OE1-N 3.15Å; Y227-G242 CarbonylContact O-C 3.58Å; Y227-G242 WeakPolarHBondContact O-CA 3.24Å; G240-G242 PolarHBondContact O-N 3.46Å; G240-G242 VanDerWaalsContact O-N 3.12Å
243T88.1Confident73.3Confident0 Ų070.9 Ų70.90%040%0.402CS..EExtended strand (participates in β ladder)trans-114.7119.6172.7-61.50000109.2P147 T150 L160 I226 Y227 V245P147-T243 HydrophobicContact CG-CG2 3.98Å; P147-T243 VanDerWaalsContact O-CB 3.25Å; P147-T243 WeakPolarHBondContact O-CB 3.03Å; P147-T243 WeakPolarHBondContact O-CG2 3.43Å; P147-T243 PolarHBondContact O-OG1 3.45Å; T150-T243 HydrophobicContact CG2-CG2 4.4Å; L160-T243 HydrophobicContact CD2-CG2 3.43Å; L160-T243 VanDerWaalsContact CD2-CG2 3.43Å; I226-T243 WeakPolarHBondContact CA-O 3.34Å; Y227-T243 PolarHBondContact N-O 3.29Å; Y227-T243 PolarHBondContact O-N 2.97Å; T243-V245 HydrophobicContact CG2-CG2 4.24Å; T243-V245 PolarHBondContact O-N 3.02Å
244K88.3Confident72.2Confident79 Ų7973.9 Ų73.934%0.34342%0.417SS..EExtended strand (participates in β ladder)trans-78.8116.6175.4-161.1-169.6-166.3-164.70109.9E148 T149 T150 F188 E246E148-K244 PolarHBondContact O-N 3.06Å; T149-K244 CarbonylContact C-O 3.57Å; T149-K244 VanDerWaalsContact CA-O 3.29Å; T149-K244 WeakPolarHBondContact CA-O 3.46Å; T149-K244 HydrophobicContact CG2-CB 4.19Å; T149-K244 HydrophobicContact CG2-CD 4.31Å; T150-K244 PolarHBondContact N-O 3.45Å; F188-K244 HydrophobicContact CZ-CG 4.07Å; K244-E246 HydrophobicContact CD-CG 4.1Å; K244-E246 WeakPolarHBondContact CE-OE1 3.35Å; K244-E246 HydrophobicContact CG-CG 4.13Å; K244-E246 IonicContact NZ-OE1 3.95Å; K244-E246 PolarHBondContact NZ-OE1 3.44Å
245V87.9Confident71.6Confident0 Ų073.3 Ų73.30%041%0.414CS..EExtended strand (participates in β ladder)trans-107.7111.8175.3-179.30000108.4T150 V152 V158 I218 G225 Y227 T243T150-V245 HydrophobicContact CG2-CB 4.39Å; T150-V245 HydrophobicContact CG2-CG1 4.41Å; T150-V245 HydrophobicContact CG2-CG2 3.84Å; T150-V245 WeakPolarHBondContact O-CA 3.31Å; V152-V245 HydrophobicContact CG2-CG1 3.63Å; V158-V245 HydrophobicContact CG1-CG2 4.41Å; V158-V245 HydrophobicContact CG2-CG1 4.1Å; V158-V245 HydrophobicContact CG2-CG2 4.46Å; I218-V245 HydrophobicContact CD1-CG1 4.1Å; I218-V245 HydrophobicContact CG1-CG1 4.44Å; G225-V245 PolarHBondContact N-O 3.45Å; G225-V245 PolarHBondContact O-N 2.93Å; Y227-V245 HydrophobicContact CD2-CB 4.02Å; Y227-V245 HydrophobicContact CD2-CG2 3.46Å; Y227-V245 VanDerWaalsContact CD2-CG2 3.46Å; Y227-V245 HydrophobicContact CE2-CB 3.84Å; Y227-V245 HydrophobicContact CE2-CG1 4.41Å; Y227-V245 HydrophobicContact CE2-CG2 3.64Å; Y227-V245 HydrophobicContact CG-CG2 4.48Å; T243-V245 HydrophobicContact CG2-CG2 4.24Å; T243-V245 PolarHBondContact O-N 3.02Å
246E87.9Confident71.7Confident73 Ų7374.2 Ų74.234%0.34141%0.406SS..EExtended strand (participates in β ladder)trans-107.4143.5-179-60.3-172.2141.100111T150 S151 V152 K244 S248T150-E246 PolarHBondContact O-N 2.96Å; S151-E246 VanDerWaalsContact CA-O 3.3Å; S151-E246 WeakPolarHBondContact CA-O 3.29Å; V152-E246 WeakPolarHBondContact CG2-O 3.41Å; V152-E246 PolarHBondContact N-O 3.4Å; K244-E246 HydrophobicContact CD-CG 4.1Å; K244-E246 WeakPolarHBondContact CE-OE1 3.35Å; K244-E246 HydrophobicContact CG-CG 4.13Å; K244-E246 IonicContact NZ-OE1 3.95Å; K244-E246 PolarHBondContact NZ-OE1 3.44Å; E246-S248 PolarHBondContact O-N 3Å
247M81.9Confident71.3Confident54 Ų5474.4 Ų74.427%0.26642%0.416SS..EExtended strand (participates in β ladder)trans-72.5121166.6-58.7-49.7-66.200108.7V152 D154 I218 A224 M249V152-M247 HydrophobicContact CG2-SD 4.32Å; D154-M247 WeakPolarHBondContact OD1-CE 3.46Å; I218-M247 HydrophobicContact CG2-CE 4.15Å; I218-M247 HydrophobicContact CG2-SD 3.81Å; A224-M247 HydrophobicContact CB-CG 3.86Å; A224-M247 HydrophobicContact CB-SD 4.04Å; M247-M249 PolarHBondContact O-N 3.49Å
248S76.6Confident70.8Confident41 Ų4173 Ų7329%0.28741%0.412SS..  trans-63.8128.4165.6670000108.6V152 Q153 E246 G250V152-S248 PolarHBondContact O-N 3.32Å; V152-S248 PolarHBondContact O-OG 2.96Å; Q153-S248 WeakPolarHBondContact CG-OG 3.22Å; E246-S248 PolarHBondContact O-N 3Å; S248-G250 PolarHBondContact O-N 3.49Å
249M60.5Low70.3Confident180 Ų18075.1 Ų75.189%0.88742%0.423SS*.  trans-76.956.3177.1-162.578.9171.700110.2M247 S251M247-M249 PolarHBondContact O-N 3.49Å; M249-S251 PolarHBondContact O-N 3.11Å
250G53.8Low69.6Low41 Ų4173.4 Ų73.442%0.42342%0.423SS..  trans-63.6105.4176.100000110.1S248 S252S248-G250 PolarHBondContact O-N 3.49Å; G250-S252 PolarHBondContact O-N 2.79Å
251S45.9Very low69.3Low105 Ų10578 Ų7873%0.73445%0.446SS*.THydrogen-bonded Turntrans26.175.1168.4600000115.1M249 H253M249-S251 PolarHBondContact O-N 3.11Å; S251-H253 PolarHBondContact O-N 3.46Å
252S44.6Very low68.8Low89 Ų8975.2 Ų75.262%0.62244%0.439SS*.THydrogen-bonded Turntrans0.881.7166.658.80000115.9G250 L254G250-S252 PolarHBondContact O-N 2.79Å; S252-L254 PolarHBondContact O-N 3.5Å
253H46.9Very low68.7Low176 Ų17678.9 Ų78.982%0.81546%0.459SS*.  trans-71.377.7157.9-116.9-76.6000107.2S251 S255S251-H253 PolarHBondContact O-N 3.46Å; H253-S255 PolarHBondContact O-N 3.38Å
254L50.6Low68.4Low88 Ų8883.6 Ų83.646%0.46148%0.484SS..  trans-49.1116.4164-74.5157.8000105.9S252 V258 L259S252-L254 PolarHBondContact O-N 3.5Å; L254-V258 HydrophobicContact CD2-CG1 4.09Å; L254-L259 HydrophobicContact CB-CD1 4.14Å; L254-L259 HydrophobicContact CB-CD2 3.69Å; L254-L259 HydrophobicContact CB-CG 3.6Å; L254-L259 HydrophobicContact CD1-CD2 3.7Å; L254-L259 HydrophobicContact CG-CD2 4.32Å; L254-L259 WeakPolarHBondContact O-CD1 3.26Å
255S58.7Low68.2Low57 Ų5784.9 Ų84.940%0.39949%0.494SS..  trans-56.9143.1-170.558.80000109.4H253 P257 V258 L259H253-S255 PolarHBondContact O-N 3.38Å; S255-P257 VanDerWaalsContact C-N 3.27Å; S255-V258 WeakPolarHBondContact O-CA 3.43Å; S255-V258 PolarHBondContact O-N 2.9Å; S255-V258 VanDerWaalsContact OG-CG2 3.26Å; S255-V258 WeakPolarHBondContact OG-CG2 3.34Å; S255-L259 PolarHBondContact O-N 3.21Å; S255-L259 VanDerWaalsContact O-N 3.11Å
256P63.9Low68Low94 Ų9487.5 Ų87.561%0.6152%0.516SS*.Hα-helixtrans-44.2-43.4-178.2-29.834.8000114.9V258 L259 V260P256-V258 PolarHBondContact O-N 3.44Å; P256-L259 PolarHBondContact O-N 3.42Å; P256-V260 WeakPolarHBondContact O-CB 3.46Å; P256-V260 VanDerWaalsContact O-CG2 3.26Å; P256-V260 WeakPolarHBondContact O-CG2 3.26Å; P256-V260 PolarHBondContact O-N 3.15Å
257P62.3Low67.7Low90 Ų9087 Ų8758%0.58452%0.519SS*.Hα-helixtrans-65.6-32.2174.725-35.5000114.8S255 L261S255-P257 VanDerWaalsContact C-N 3.27Å; P257-L261 WeakPolarHBondContact O-CB 3.27Å; P257-L261 PolarHBondContact O-N 3.48Å
258V68.4Low67.8Low71 Ų7187.7 Ų87.743%0.4353%0.529SS..Hα-helixtrans-72.9-39178.2172.50000111.3L254 S255 P256 L261 S262L254-V258 HydrophobicContact CD2-CG1 4.09Å; S255-V258 WeakPolarHBondContact O-CA 3.43Å; S255-V258 PolarHBondContact O-N 2.9Å; S255-V258 VanDerWaalsContact OG-CG2 3.26Å; S255-V258 WeakPolarHBondContact OG-CG2 3.34Å; P256-V258 PolarHBondContact O-N 3.44Å; V258-L261 PolarHBondContact O-N 2.87Å; V258-S262 WeakPolarHBondContact O-CB 3.39Å; V258-S262 PolarHBondContact O-N 3.36Å; V258-S262 PolarHBondContact O-OG 3.28Å
259L69.9Low68.3Low80 Ų8089.9 Ų89.942%0.41954%0.541SS..Hα-helixtrans-63.5-46.4170.9-74.8174000111.6L254 S255 P256 L261 S262 V263L254-L259 HydrophobicContact CB-CD1 4.14Å; L254-L259 HydrophobicContact CB-CD2 3.69Å; L254-L259 HydrophobicContact CB-CG 3.6Å; L254-L259 HydrophobicContact CD1-CD2 3.7Å; L254-L259 HydrophobicContact CG-CD2 4.32Å; L254-L259 WeakPolarHBondContact O-CD1 3.26Å; S255-L259 PolarHBondContact O-N 3.21Å; S255-L259 VanDerWaalsContact O-N 3.11Å; P256-L259 PolarHBondContact O-N 3.42Å; L259-L261 VanDerWaalsContact C-N 3.32Å; L259-L261 PolarHBondContact O-N 2.98Å; L259-S262 PolarHBondContact O-N 3.35Å; L259-S262 PolarHBondContact O-OG 3.03Å; L259-V263 WeakPolarHBondContact O-CG2 3.29Å; L259-V263 PolarHBondContact O-N 3.5Å
260V71.7Confident69.4Low87 Ų8785.6 Ų85.653%0.52752%0.524SS..Hα-helixtrans-61.7-42.1177.9168.10000111P256 L264P256-V260 WeakPolarHBondContact O-CB 3.46Å; P256-V260 VanDerWaalsContact O-CG2 3.26Å; P256-V260 WeakPolarHBondContact O-CG2 3.26Å; P256-V260 PolarHBondContact O-N 3.15Å; V260-L264 HydrophobicContact CG1-CD1 3.76Å; V260-L264 HydrophobicContact CG1-CG 4.48Å; V260-L264 WeakPolarHBondContact O-CB 3.45Å; V260-L264 WeakPolarHBondContact O-CD1 3.39Å; V260-L264 VanDerWaalsContact O-CG 3.3Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.5Å
261L76.8Confident71Confident103 Ų10389.4 Ų89.454%0.53953%0.534SS..Hα-helixtrans-66.6-39.5177.7-171.566.3000112.5P257 V258 L259 L264 L265P257-L261 WeakPolarHBondContact O-CB 3.27Å; P257-L261 PolarHBondContact O-N 3.48Å; V258-L261 PolarHBondContact O-N 2.87Å; L259-L261 VanDerWaalsContact C-N 3.32Å; L259-L261 PolarHBondContact O-N 2.98Å; L261-L264 PolarHBondContact O-N 3.37Å; L261-L265 HydrophobicContact CG-CD1 4.18Å; L261-L265 WeakPolarHBondContact O-CB 3.34Å; L261-L265 VanDerWaalsContact O-CG 3.31Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 3.06Å
262S75.4Confident72.9Confident61 Ų6189.2 Ų89.243%0.42752%0.524SS..Hα-helixtrans-67.8-39.6177.971.20000112.2V258 L259 L265 A266V258-S262 WeakPolarHBondContact O-CB 3.39Å; V258-S262 PolarHBondContact O-N 3.36Å; V258-S262 PolarHBondContact O-OG 3.28Å; L259-S262 PolarHBondContact O-N 3.35Å; L259-S262 PolarHBondContact O-OG 3.03Å; S262-L265 PolarHBondContact O-N 2.96Å; S262-A266 WeakPolarHBondContact O-CB 3.23Å; S262-A266 PolarHBondContact O-N 2.95Å
263V82.4Confident74.7Confident88 Ų8888.8 Ų88.853%0.53352%0.518SS..Hα-helixtrans-66.1-44173.6173.50000111.1L259 L265 A266 C267L259-V263 WeakPolarHBondContact O-CG2 3.29Å; L259-V263 PolarHBondContact O-N 3.5Å; V263-L265 PolarHBondContact O-N 3.01Å; V263-A266 PolarHBondContact O-N 3.03Å; V263-C267 WeakPolarHBondContact O-CB 3.5Å; V263-C267 PolarHBondContact O-N 3.49Å; V263-C267 PolarHBondContact O-SG 3.28Å
264L81.2Confident76.4Confident98 Ų9883.2 Ų83.251%0.51350%0.502SS..Hα-helixtrans-59.3-44.2174.8-81.1164.1000112V260 L261 C267 C268V260-L264 HydrophobicContact CG1-CD1 3.76Å; V260-L264 HydrophobicContact CG1-CG 4.48Å; V260-L264 WeakPolarHBondContact O-CB 3.45Å; V260-L264 WeakPolarHBondContact O-CD1 3.39Å; V260-L264 VanDerWaalsContact O-CG 3.3Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.5Å; L261-L264 PolarHBondContact O-N 3.37Å; L264-C267 PolarHBondContact O-N 3.5Å; L264-C268 WeakPolarHBondContact O-CB 3.47Å; L264-C268 PolarHBondContact O-N 2.93Å; L264-C268 PolarHBondContact O-SG 3.49Å; L264-C268 VanDerWaalsContact O-SG 3.32Å
265L85.1Confident78Confident106 Ų10683.7 Ų83.756%0.55551%0.505SS*.Hα-helixtrans-62.8-44.6176.1-76.9165.8000111.8L261 S262 V263 C267 C268 V269L261-L265 HydrophobicContact CG-CD1 4.18Å; L261-L265 WeakPolarHBondContact O-CB 3.34Å; L261-L265 VanDerWaalsContact O-CG 3.31Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 3.06Å; S262-L265 PolarHBondContact O-N 2.96Å; V263-L265 PolarHBondContact O-N 3.01Å; L265-C267 PolarHBondContact O-N 2.93Å; L265-C268 PolarHBondContact O-N 3.04Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 2.9Å
266A82.6Confident79.1Confident55 Ų5585.5 Ų85.546%0.45551%0.509SS..Hα-helixtrans-60.1-45.9175.700000111.8S262 V263 C268 V269 T270S262-A266 WeakPolarHBondContact O-CB 3.23Å; S262-A266 PolarHBondContact O-N 2.95Å; V263-A266 PolarHBondContact O-N 3.03Å; A266-C268 PolarHBondContact O-N 3.27Å; A266-V269 PolarHBondContact O-N 3.47Å; A266-T270 WeakPolarHBondContact O-CG2 3.46Å; A266-T270 PolarHBondContact O-N 3.31Å; A266-T270 PolarHBondContact O-OG1 3.39Å
267C82.3Confident79.9Confident62 Ų6284.7 Ų84.742%0.41950%0.502SS..Hα-helixtrans-61.9-40.6175.7-71.40000112.8V263 L264 L265 T270 L271V263-C267 WeakPolarHBondContact O-CB 3.5Å; V263-C267 PolarHBondContact O-N 3.49Å; V263-C267 PolarHBondContact O-SG 3.28Å; L264-C267 PolarHBondContact O-N 3.5Å; L265-C267 PolarHBondContact O-N 2.93Å; C267-T270 WeakPolarHBondContact CA-OG1 3.44Å; C267-T270 PolarHBondContact O-N 2.9Å; C267-T270 PolarHBondContact O-OG1 3.5Å; C267-T270 VanDerWaalsContact O-OG1 3.04Å; C267-L271 WeakPolarHBondContact O-CB 3.35Å; C267-L271 VanDerWaalsContact O-CG 3.23Å; C267-L271 WeakPolarHBondContact O-CG 3.34Å; C267-L271 PolarHBondContact O-N 3.26Å
268C85.3Confident80.7Confident69 Ų6987.6 Ų87.647%0.46650%0.502SS..Hα-helixtrans-62.8-42.5174.7-75.50000111.8L264 L265 A266 I272L264-C268 WeakPolarHBondContact O-CB 3.47Å; L264-C268 PolarHBondContact O-N 2.93Å; L264-C268 PolarHBondContact O-SG 3.49Å; L264-C268 VanDerWaalsContact O-SG 3.32Å; L265-C268 PolarHBondContact O-N 3.04Å; A266-C268 PolarHBondContact O-N 3.27Å; C268-I272 WeakPolarHBondContact O-CD1 3.3Å; C268-I272 VanDerWaalsContact O-CG1 3.23Å; C268-I272 WeakPolarHBondContact O-CG1 3.49Å; C268-I272 PolarHBondContact O-N 3.31Å
269V85.7Confident81.2Confident88 Ų8888.3 Ų88.353%0.53350%0.503SS..Hα-helixtrans-66.1-44.2178173.10000111.4L265 A266 L271 I272 V273L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 2.9Å; A266-V269 PolarHBondContact O-N 3.47Å; V269-L271 PolarHBondContact O-N 3Å; V269-I272 PolarHBondContact O-N 2.91Å; V269-V273 WeakPolarHBondContact O-CG2 3.33Å; V269-V273 PolarHBondContact O-N 3.4Å
270T83.8Confident81.4Confident89 Ų8991.6 Ų91.655%0.54651%0.514SS..Hα-helixtrans-65.4-39.3178.455.20000112.2A266 C267 V273 A274A266-T270 WeakPolarHBondContact O-CG2 3.46Å; A266-T270 PolarHBondContact O-N 3.31Å; A266-T270 PolarHBondContact O-OG1 3.39Å; C267-T270 WeakPolarHBondContact CA-OG1 3.44Å; C267-T270 PolarHBondContact O-N 2.9Å; C267-T270 PolarHBondContact O-OG1 3.5Å; C267-T270 VanDerWaalsContact O-OG1 3.04Å; T270-V273 PolarHBondContact O-N 3.02Å; T270-A274 WeakPolarHBondContact O-CB 3.23Å; T270-A274 PolarHBondContact O-N 3.46Å
271L87.6Confident81.2Confident121 Ų12193 Ų9363%0.63452%0.518SS*.Hα-helixtrans-62.2-42.1173.2-73171.8000112.2C267 V269 A274 L275C267-L271 WeakPolarHBondContact O-CB 3.35Å; C267-L271 VanDerWaalsContact O-CG 3.23Å; C267-L271 WeakPolarHBondContact O-CG 3.34Å; C267-L271 PolarHBondContact O-N 3.26Å; V269-L271 PolarHBondContact O-N 3Å; L271-A274 PolarHBondContact O-N 3.01Å; L271-L275 WeakPolarHBondContact O-CB 3.36Å; L271-L275 PolarHBondContact O-N 3.31Å
272I86.1Confident80.7Confident102 Ų10291 Ų9152%0.52351%0.51SS..Hα-helixtrans-63.1-44.6176.1-70.9164000111C268 V269 L275 I276C268-I272 WeakPolarHBondContact O-CD1 3.3Å; C268-I272 VanDerWaalsContact O-CG1 3.23Å; C268-I272 WeakPolarHBondContact O-CG1 3.49Å; C268-I272 PolarHBondContact O-N 3.31Å; V269-I272 PolarHBondContact O-N 2.91Å; I272-L275 PolarHBondContact O-N 3.46Å; I272-I276 HydrophobicContact CG2-CD1 3.83Å; I272-I276 VanDerWaalsContact O-CG1 3.27Å; I272-I276 WeakPolarHBondContact O-CG1 3.21Å; I272-I276 PolarHBondContact O-N 2.89Å
273V82.9Confident80.1Confident80 Ų8092.6 Ų92.649%0.48552%0.517SS..Hα-helixtrans-63.7-45.4177.2172.50000111.1V269 T270 L275 I276 V277V269-V273 WeakPolarHBondContact O-CG2 3.33Å; V269-V273 PolarHBondContact O-N 3.4Å; T270-V273 PolarHBondContact O-N 3.02Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 3.35Å; V273-I276 PolarHBondContact O-N 2.87Å; V273-V277 HydrophobicContact CG1-CG2 4.43Å; V273-V277 WeakPolarHBondContact O-CG2 3.49Å; V273-V277 PolarHBondContact O-N 3.49Å
274A82.5Confident78.8Confident58 Ų5892.9 Ų92.948%0.47952%0.518SS..Hα-helixtrans-60.4-41176.300000112T270 L271 V277 Y278T270-A274 WeakPolarHBondContact O-CB 3.23Å; T270-A274 PolarHBondContact O-N 3.46Å; L271-A274 PolarHBondContact O-N 3.01Å; A274-V277 PolarHBondContact O-N 3.22Å; A274-Y278 VanDerWaalsContact O-CB 3.31Å; A274-Y278 WeakPolarHBondContact O-CB 3.44Å; A274-Y278 PolarHBondContact O-N 2.93Å
275L83.6Confident77.4Confident99 Ų9990.5 Ų90.552%0.51852%0.518SS..Hα-helixtrans-64.6-41.4176-151.593.3000111.8L271 I272 V273 Y278 I279L271-L275 WeakPolarHBondContact O-CB 3.36Å; L271-L275 PolarHBondContact O-N 3.31Å; I272-L275 PolarHBondContact O-N 3.46Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 3.35Å; L275-Y278 PolarHBondContact O-N 3.41Å; L275-I279 HydrophobicContact CD2-CD1 4.13Å; L275-I279 HydrophobicContact CG-CD1 4.27Å; L275-I279 WeakPolarHBondContact O-CB 3.19Å; L275-I279 WeakPolarHBondContact O-CD1 3.38Å; L275-I279 WeakPolarHBondContact O-CG1 3.31Å; L275-I279 PolarHBondContact O-N 2.74Å
276I82.8Confident75.5Confident95 Ų9593.7 Ų93.749%0.48753%0.529SS..Hα-helixtrans-63.7-44.4175.9-69.8164.5000110.8I272 V273 I279 K280I272-I276 HydrophobicContact CG2-CD1 3.83Å; I272-I276 VanDerWaalsContact O-CG1 3.27Å; I272-I276 WeakPolarHBondContact O-CG1 3.21Å; I272-I276 PolarHBondContact O-N 2.89Å; V273-I276 PolarHBondContact O-N 2.87Å; I276-I279 PolarHBondContact O-N 3.44Å; I276-K280 WeakPolarHBondContact O-CG 3.42Å; I276-K280 PolarHBondContact O-N 3.11Å
277V79.2Confident73.8Confident77 Ų7796.2 Ų96.247%0.46754%0.543SS..Hα-helixtrans-63.9-43.7177169.60000111V273 A274 K280 L281V273-V277 HydrophobicContact CG1-CG2 4.43Å; V273-V277 WeakPolarHBondContact O-CG2 3.49Å; V273-V277 PolarHBondContact O-N 3.49Å; A274-V277 PolarHBondContact O-N 3.22Å; V277-K280 PolarHBondContact O-N 2.91Å; V277-L281 HydrophobicContact CG1-CD1 3.81Å; V277-L281 WeakPolarHBondContact O-CB 3.47Å; V277-L281 PolarHBondContact O-N 3.26Å
278Y80.4Confident71.8Confident150 Ų150101.4 Ų101.459%0.58856%0.561SS**Hα-helixtrans-61.5-43.7175.5178.8-96.5000112.5A274 L275 K280 L281 T282A274-Y278 VanDerWaalsContact O-CB 3.31Å; A274-Y278 WeakPolarHBondContact O-CB 3.44Å; A274-Y278 PolarHBondContact O-N 2.93Å; L275-Y278 PolarHBondContact O-N 3.41Å; Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 3.19Å; Y278-L281 PolarHBondContact O-N 3.01Å; Y278-T282 HydrophobicContact CD1-CG2 4.48Å; Y278-T282 HydrophobicContact CE1-CG2 3.95Å; Y278-T282 HydrophobicContact CE2-CG2 4.07Å; Y278-T282 PolarHBondContact O-N 2.97Å; Y278-T282 PolarHBondContact O-OG1 2.92Å
279I77.4Confident69.7Low86 Ų86101.7 Ų101.744%0.44158%0.575SS.*Hα-helixtrans-64.1-38.7175.4-69.4165.1000110.6L275 I276 T282 V283L275-I279 HydrophobicContact CD2-CD1 4.13Å; L275-I279 HydrophobicContact CG-CD1 4.27Å; L275-I279 WeakPolarHBondContact O-CB 3.19Å; L275-I279 WeakPolarHBondContact O-CD1 3.38Å; L275-I279 WeakPolarHBondContact O-CG1 3.31Å; L275-I279 PolarHBondContact O-N 2.74Å; I276-I279 PolarHBondContact O-N 3.44Å; I279-T282 WeakPolarHBondContact CA-OG1 3.44Å; I279-T282 PolarHBondContact O-OG1 2.85Å; I279-V283 HydrophobicContact CG2-CG2 4.45Å; I279-V283 WeakPolarHBondContact O-CB 3.23Å; I279-V283 WeakPolarHBondContact O-CG2 3.42Å; I279-V283 PolarHBondContact O-N 3.46Å
280K74.1Confident67.8Low149 Ų149101.3 Ų101.365%0.64858%0.581SS**Hα-helixtrans-65.6-44.2174.9-74.3-71.7-176.8175.60112.2I276 V277 Y278 V283 V284I276-K280 WeakPolarHBondContact O-CG 3.42Å; I276-K280 PolarHBondContact O-N 3.11Å; V277-K280 PolarHBondContact O-N 2.91Å; Y278-K280 VanDerWaalsContact C-N 3.33Å; Y278-K280 PolarHBondContact O-N 3.19Å; K280-V283 PolarHBondContact O-N 2.97Å; K280-V284 WeakPolarHBondContact O-CG2 3.38Å; K280-V284 PolarHBondContact O-N 3.32Å
281L68.1Low65.5Low117 Ų117104.4 Ų104.461%0.61359%0.594SS**Hα-helixtrans-64.4-42.7176.9-82.6158.5000112.7V277 Y278 V284 G285V277-L281 HydrophobicContact CG1-CD1 3.81Å; V277-L281 WeakPolarHBondContact O-CB 3.47Å; V277-L281 PolarHBondContact O-N 3.26Å; Y278-L281 PolarHBondContact O-N 3.01Å; L281-V284 PolarHBondContact O-N 3.4Å; L281-G285 PolarHBondContact O-N 3.01Å
282T65.3Low62.9Low62 Ų62106.1 Ų106.138%0.3861%0.61SS.*Hα-helixtrans-71.3-31.9177.842.60000113.1Y278 I279 H286Y278-T282 HydrophobicContact CD1-CG2 4.48Å; Y278-T282 HydrophobicContact CE1-CG2 3.95Å; Y278-T282 HydrophobicContact CE2-CG2 4.07Å; Y278-T282 PolarHBondContact O-N 2.97Å; Y278-T282 PolarHBondContact O-OG1 2.92Å; I279-T282 WeakPolarHBondContact CA-OG1 3.44Å; I279-T282 PolarHBondContact O-OG1 2.85Å; T282-H286 PolarHBondContact O-N 3.12Å
283V63.4Low60.2Low94 Ų94104.7 Ų104.757%0.5762%0.621SS**Hα-helixtrans-70.3-36.4172.2169.30000112I279 K280I279-V283 HydrophobicContact CG2-CG2 4.45Å; I279-V283 WeakPolarHBondContact O-CB 3.23Å; I279-V283 WeakPolarHBondContact O-CG2 3.42Å; I279-V283 PolarHBondContact O-N 3.46Å; K280-V283 PolarHBondContact O-N 2.97Å
284V55.5Low58.3Low93 Ų93106.8 Ų106.856%0.56464%0.636SS**Hα-helixtrans-69.5-46.8173.7170.80000111K280 L281 H286 C287K280-V284 WeakPolarHBondContact O-CG2 3.38Å; K280-V284 PolarHBondContact O-N 3.32Å; L281-V284 PolarHBondContact O-N 3.4Å; V284-H286 PolarHBondContact O-N 3.33Å; V284-H286 VanDerWaalsContact O-N 3.12Å; V284-C287 PolarHBondContact O-N 2.86Å
285G51.4Low55.8Low49 Ų49110.3 Ų110.351%0.50566%0.657SS.*Hα-helixtrans-66.9-10.2179.500000115.4L281L281-G285 PolarHBondContact O-N 3.01Å
286H45.6Very low53.4Low172 Ų172108.9 Ų108.980%0.79667%0.666SS**THydrogen-bonded Turntrans-930.1172-135.164.4000113.6T282 V284T282-H286 PolarHBondContact O-N 3.12Å; V284-H286 PolarHBondContact O-N 3.33Å; V284-H286 VanDerWaalsContact O-N 3.12Å
287C46.6Very low50.9Low109 Ų109115.7 Ų115.774%0.73669%0.686SS**THydrogen-bonded Turntrans-103.7-14.9172.6-68.50000113.7V284 G289V284-C287 PolarHBondContact O-N 2.86Å; C287-G289 PolarHBondContact O-N 3.23Å
288E41.4Very low48.6Very low171 Ų171122.2 Ų122.280%0.79970%0.702SS**SBendtrans-87.629.1169.3-87.2-179.8113.900112.6
289G40.3Very low46.2Very low74 Ų74124 Ų12476%0.76371%0.713SS**  trans-102.220.4-178.300000114.8C287C287-G289 PolarHBondContact O-N 3.23Å
290A46.3Very low43.9Very low80 Ų80125.2 Ų125.266%0.66173%0.729SS**SBendtrans-138.2143.817500000110.2
291D36.1Very low41.8Very low154 Ų154123 Ų12382%0.82473%0.732SS**  trans58.895.5178.4-61.1-24.3000117.2
292T31.2Very low40Very low158 Ų158127.7 Ų127.797%0.96974%0.742SS**  -161.5109.5113.913.80000113.6
293G30.7Very low38.3Very low72 Ų72131.2 Ų131.274%0.74276%0.758SS**  trans-148.6168.5144.600000108.1
294P41.9Very low36.7Very low124 Ų124134.9 Ų134.981%0.80577%0.769SS**  cis-127.5167.8-3.739.1-24.4000113.8
295S31.4Very low35.5Very low131 Ų131134.7 Ų134.792%0.91678%0.777SS**  trans-82.6129.8157.3-1730000109.3
296G31.4Very low34.5Very low69 Ų69138.6 Ų138.671%0.71179%0.791SS**  trans-97172.8-156.700000117.1
297R30.5Very low33.8Very low238 Ų238137 Ų13790%0.89879%0.789SS**  trans-142125.1157.4-153.1176.3-166.9-170.35.5112.4
298R31.8Very low33.1Very low215 Ų215138 Ų13881%0.81179%0.791SS**  trans82.6117.2163.3-85.6-178.2169.2179.8-1.8121.4
299K30.3Very low32.4Very low187 Ų187133.6 Ų133.681%0.81379%0.793SS**  trans88.999.2133.8-78.1-169.3172.6-170.40120.7
300S29.2Very low31.9Very low112 Ų112134.9 Ų134.978%0.78380%0.796SS**  115.5135.6105-159.50000119
301S29.9Very low31.3Very low103 Ų103143.2 Ų143.272%0.7281%0.81SS**  trans78.2101.9158-97.90000121.9
302R29.4Very low31Very low215 Ų215139.2 Ų139.281%0.81181%0.805SS**  50.4123.7125.5-79.7-169174.2137.73.4122.6
303N30.5Very low31.6Very low135 Ų135140.3 Ų140.372%0.72281%0.805SS**  trans70.5152133.8-58.511.2000118.5
304Q29.9Very low31.7Very low172 Ų172145.1 Ų145.180%0.80481%0.808SS**  cis-175.1121.4-24.3172.6177.835.900107.9
305A30.1Very low31.4Very low88 Ų88143.5 Ų143.573%0.72781%0.805SS**  trans59168.6165.400000116.6
306T30Very low31.7Very low131 Ų131144.3 Ų144.380%0.80480%0.799SS**  cis-158.5154.15.2-20.60000110.8
307D30.6Very low32Very low139 Ų139151 Ų15174%0.74380%0.804SS**  trans80146.3137.5-139.912.2000126
308T31.4Very low32.4Very low129 Ų129146 Ų14679%0.79180%0.801SS**  trans57.9135.6157.244.80000123.5
309G26.8Very low32.6Very low80 Ų80140 Ų14083%0.82580%0.797SS**  trans167.8111.6158.500000115.9
310A30.5Very low32.9Very low100 Ų100137.9 Ų137.983%0.82679%0.794SS**  trans-82.2149.1-169.600000117.6
311R32.8Very low33.1Very low255 Ų255140.1 Ų140.196%0.96280%0.797SS**  50.7119.5128.1-166.2-176.1-160.9166.85.4120.6
312G31.5Very low33.4Very low70 Ų70143 Ų14372%0.72280%0.797SS**  trans161.9122.8152.300000114.5
313D42.8Very low33.6Very low182 Ų182137.8 Ų137.897%0.97380%0.799SS**  trans-73.9128.4167.5-73.6-52000110
314E32.8Very low34.1Very low173 Ų173137.7 Ų137.781%0.80880%0.804SS**  trans-115.4113.9-178.9-165.4171.5-136.400111.6
315A34.9Very low34.2Very low89 Ų89141.6 Ų141.674%0.73681%0.811SS**  trans-91.2108.6177.600000110.9Y317A315-Y317 PolarHBondContact O-N 2.88Å
316N38.9Very low34.4Very low149 Ų149146.2 Ų146.280%0.79782%0.815SS**  trans-78.6120.4178.7-96.4-59.2000112.5
317Y37.3Very low34.6Very low208 Ų208145.8 Ų145.882%0.81681%0.813SS**  trans-105.6144.3166.755.3-92.3000110.4A315A315-Y317 PolarHBondContact O-N 2.88Å
318V38.7Very low34.6Very low135 Ų135148.7 Ų148.782%0.81882%0.819SS**  trans-111.8120.8178.4178.80000110
319A36.9Very low34.5Very low89 Ų89146 Ų14674%0.73682%0.816SS**PPolyproline II helixtrans-85.9130.1170.400000110.7
320L36.6Very low34.7Very low142 Ų142149.6 Ų149.674%0.74382%0.822SS**PPolyproline II helixtrans-85119.8174.7-81.8163.4000110.8F322L320-F322 HydrophobicContact CB-CD2 4.49Å; L320-F322 HydrophobicContact CB-CE2 3.83Å; L320-F322 HydrophobicContact CB-CZ 4.24Å; L320-F322 HydrophobicContact CD1-CZ 4.46Å
321N32.9Very low34.8Very low159 Ų159154 Ų15485%0.8582%0.822SS**PPolyproline II helixtrans-97.2118.8176.3-168.81.2000110.3
322F35.5Very low34.7Very low163 Ų163151.5 Ų151.572%0.71582%0.818SS**  trans-103.1107.4-178.2-70.8-81.7000111.7L320 T324L320-F322 HydrophobicContact CB-CD2 4.49Å; L320-F322 HydrophobicContact CB-CE2 3.83Å; L320-F322 HydrophobicContact CB-CZ 4.24Å; L320-F322 HydrophobicContact CD1-CZ 4.46Å; F322-T324 PolarHBondContact O-N 3.27Å
323A35.1Very low34.5Very low105 Ų105158.7 Ų158.787%0.86882%0.824SS**  trans-69.6114.9174.500000111.4
324T39.4Very low34Very low134 Ų134156.4 Ų156.482%0.82281%0.81SS**  trans-84.6120.1176.737.90000111.6F322F322-T324 PolarHBondContact O-N 3.27Å
325R33.4Very low33.9Very low254 Ų254156.4 Ų156.496%0.95881%0.81SS**  trans-10098.3173.1-134-179.7-167.2-175.46110.3
326K34.5Very low33.7Very low184 Ų184157.3 Ų157.380%0.881%0.811SS**  trans-92.7127.5164.9-66.1-173.4177.5178.80109.5
327T33.9Very low34.1Very low123 Ų123155.8 Ų155.876%0.75581%0.809SS**  146.8157.3107.250.70000106.6
328K30.8Very low34.3Very low200 Ų200150.9 Ų150.987%0.8780%0.803SS**  cis-130.9164.4-0.2-75.7107.7170.2-169.10106.7
329G28.6Very low33.8Very low72 Ų72153 Ų15374%0.74280%0.804SS**  cis136.6112.8-000000112.1
330V29.9Very low33.3Very low155 Ų155153.9 Ų153.994%0.93980%0.803SS**  trans-134.9140.2161.8174.90000108.7
331K33.5Very low33.1Very low192 Ų192153.4 Ų153.484%0.83581%0.806SS**  trans-95.2149.7-168.4-73.6172.4169173.90113.9
332K30.2Very low33.1Very low203 Ų203156.3 Ų156.388%0.88381%0.807SS**  -162.5108.3114.2-99.4170.5-180-177.70107.4
333R28.2Very low33Very low222 Ų222154.1 Ų154.184%0.83881%0.811SS**  46.3113106.1-93.8-164.9168.1-176.9-4.5112.9
334I31.4Very low32.8Very low134 Ų134152 Ų15269%0.68780%0.8SS**  59.7124.658.6-52.8166.9000108.9
335E30.9Very low32.5Very low173 Ų173152.4 Ų152.481%0.80880%0.802SS**  cis-148.5175.430.3-127127.7-158.400107.9
336S31.3Very low32.4Very low108 Ų108155 Ų15576%0.75581%0.812SS**  cis-167.7158.725.630.80000111.8
337P46.8Very low32.3Very low117 Ų117153.5 Ų153.576%0.7681%0.812SS**  trans-98.1-178.6179.143.2-37.8000113.1
338P41.7Very low32.2Very low105 Ų105155.1 Ų155.168%0.68282%0.815SS**  -153.1178.190.243.1-25000117.1
339E29.1Very low32.3Very low178 Ų178152.6 Ų152.683%0.83281%0.812SS**  trans60.9147.6149.5-74.5171.9-164.800121.6
340C26.5Very low32.5Very low108 Ų108157.4 Ų157.473%0.7382%0.816SS**  cis-162.4168.34.1-122.80000108.6
341V32.4Very low32.6Very low132 Ų132157.5 Ų157.580%0.881%0.809SS**  cis-156.5-166.7-6.880.90000109.9
342Y32.5Very low32.6Very low221 Ų221155.2 Ų155.287%0.86781%0.807SS**  trans-103158.7-172.9-94.6-101.6000117.2
343S33.4Very low32.8Very low116 Ų116151.8 Ų151.881%0.81180%0.802SS**  -147.8134.5124.555.50000106.7
344G30.8Very low33.1Very low61 Ų61146.4 Ų146.463%0.62980%0.799SS**  85.6135.652.200000108.2
345V32.5Very low33.2Very low143 Ų143147.4 Ų147.487%0.86781%0.808SS**  cis-145.7141.13.7174.20000103.8
346R31.1Very low33.5Very low307 Ų307145.1 Ų145.1100%1.15881%0.808SS**  cis-147.7048.7-162.6171-167143.74113.6

Retrieved 346 of 346 residues in 138.5 ms (Link to these results)