A0A096LZ35_POEFO Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LZ35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 313 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1I24.4Very low27.5Very low216 Ų216114.4 Ų114.4100%1.10868%0.675SS**  0101.80-54.7169.2000106.2
2P25.5Very low28.5Very low129 Ų129117.7 Ų117.784%0.83868%0.679SS**PPolyproline II helixtrans-71.5135.4173.7-3.921.6000108.3
3A22.7Very low29.7Very low90 Ų90109.2 Ų109.274%0.74463%0.63SS**PPolyproline II helixtrans-61.5135-176.400000111.5V5A3-V5 PolarHBondContact O-N 3.44Å
4L22.8Very low30.8Very low158 Ų158108.1 Ų108.183%0.82763%0.626SS**PPolyproline II helixtrans-61.9117168.9-91.9132.4000109.3
5V25.9Very low32.1Very low102 Ų102103.7 Ų103.762%0.61860%0.596SS**PPolyproline II helixtrans-87.6134.4168.2-169.50000107.8A3 Q31A3-V5 PolarHBondContact O-N 3.44Å; V5-Q31 WeakPolarHBondContact O-CG 3.43Å; V5-Q31 PolarHBondContact O-OE1 3Å
6Q25.3Very low32.9Very low158 Ų158102.9 Ų102.974%0.73859%0.594SS**  trans-109116.7-173.4-66-89.1-49.700112.2Q31Q6-Q31 PolarHBondContact O-OE1 3.37Å
7V28.8Very low33.6Very low55 Ų55100.8 Ų100.833%0.33358%0.583SS.*PPolyproline II helixtrans-97.6121-171.7-670000111.7S11 Q31V7-S11 WeakPolarHBondContact CB-OG 3.39Å; V7-S11 WeakPolarHBondContact CG1-OG 3.24Å; V7-Q31 HydrophobicContact CB-CB 3.8Å; V7-Q31 VanDerWaalsContact CB-CD 3.49Å; V7-Q31 HydrophobicContact CB-CG 4.05Å; V7-Q31 VanDerWaalsContact CG1-OE1 3.24Å; V7-Q31 HydrophobicContact CG2-CB 3.61Å; V7-Q31 HydrophobicContact CG2-CG 3.42Å; V7-Q31 VanDerWaalsContact CG2-CG 3.42Å; V7-Q31 VanDerWaalsContact N-CD 3.34Å
8Q28.5Very low34.1Very low163 Ų163102.9 Ų102.976%0.76258%0.584SS**PPolyproline II helixtrans-76.1144.3160.6-121.4167.7-46.700111.9G10 S11Q8-G10 PolarHBondContact O-N 2.97Å; Q8-S11 PolarHBondContact O-N 3.46Å; Q8-S11 PolarHBondContact O-OG 3.39Å
9T28.9Very low34.5Very low87 Ų87102.5 Ų102.553%0.53458%0.584SS.*THydrogen-bonded Turntrans-48.8127.7168.1-28.80000110K90T9-K90 HydrophobicContact CG2-CD 4.15Å
10G36Very low35.4Very low69 Ų69102.6 Ų102.671%0.71158%0.582SS**THydrogen-bonded Turntrans1044.5-174.600000115.4Q8Q8-G10 PolarHBondContact O-N 2.97Å
11S34.2Very low36.2Very low31 Ų31102.9 Ų102.922%0.21760%0.597CS.*  trans-76.2149.7177.7-600000113.4V7 Q8 N91V7-S11 WeakPolarHBondContact CB-OG 3.39Å; V7-S11 WeakPolarHBondContact CG1-OG 3.24Å; Q8-S11 PolarHBondContact O-N 3.46Å; Q8-S11 PolarHBondContact O-OG 3.39Å; S11-N91 PolarHBondContact O-ND2 2.83Å
12E39.2Very low37.7Very low154 Ų15495.5 Ų95.572%0.7257%0.568SS**  trans-65.6133.3176.9-172.1176.1-168.800111.5V14E12-V14 PolarHBondContact O-N 3.29Å
13I44.3Very low39.1Very low7 Ų792.1 Ų92.14%0.03655%0.545CS..  trans-81.9107.8172.5-58.8174.7000107.4F15 W28 V80 N91 Q93I13-F15 HydrophobicContact CG2-CD1 4.29Å; I13-F15 HydrophobicContact CG2-CE1 3.84Å; I13-F15 HydrophobicContact CG2-CZ 4.27Å; I13-W28 HydrophobicContact CG2-CB 3.89Å; I13-V80 HydrophobicContact CD1-CG2 3.87Å; I13-N91 HydrophobicContact CD1-CB 4.39Å; I13-Q93 HydrophobicContact CB-CB 4.07Å; I13-Q93 HydrophobicContact CD1-CB 4.13Å; I13-Q93 HydrophobicContact CG2-CB 4.42Å
14V44.6Very low40.9Very low95 Ų9588 Ų8858%0.57651%0.511SS*.  trans-90.2122.4176.9-176.80000109.4E12E12-V14 PolarHBondContact O-N 3.29Å
15F49.8Very low42.4Very low42 Ų4281.5 Ų81.518%0.18448%0.479CS..  trans-92.1139.5173.2-58.2-60.5000111.7I13 M26 S27 W28 V78 Q93 V95I13-F15 HydrophobicContact CG2-CD1 4.29Å; I13-F15 HydrophobicContact CG2-CE1 3.84Å; I13-F15 HydrophobicContact CG2-CZ 4.27Å; F15-M26 HydrophobicContact CD1-CG 3.89Å; F15-M26 HydrophobicContact CD1-SD 3.83Å; F15-M26 HydrophobicContact CE1-CG 4.37Å; F15-M26 HydrophobicContact CE1-SD 3.78Å; F15-M26 HydrophobicContact CZ-SD 4.37Å; F15-S27 WeakPolarHBondContact CA-O 3.48Å; F15-W28 HydrophobicContact CD1-CB 4.44Å; F15-V78 HydrophobicContact CE1-CB 4.39Å; F15-V78 HydrophobicContact CE1-CG2 3.83Å; F15-V78 HydrophobicContact CZ-CG2 4.36Å; F15-Q93 HydrophobicContact CD2-CG 4.05Å; F15-Q93 HydrophobicContact CE2-CB 3.91Å; F15-Q93 HydrophobicContact CE2-CG 3.09Å; F15-Q93 HydrophobicContact CZ-CB 3.61Å; F15-Q93 HydrophobicContact CZ-CG 3.37Å; F15-V95 HydrophobicContact CD2-CB 4.27Å; F15-V95 HydrophobicContact CE2-CB 4.08Å
16T44.9Very low44.1Very low90 Ų9076.7 Ų76.755%0.55245%0.449SS*.EExtended strand (participates in β ladder)trans-112.5112.8157.8-54.50000108.1S27T16-S27 PolarHBondContact N-O 3.34Å; T16-S27 PolarHBondContact O-N 2.86Å; T16-S27 PolarHBondContact O-OG 2.9Å
17V45.1Very low45.8Very low67 Ų6771.1 Ų71.141%0.40643%0.428SS..EExtended strand (participates in β ladder)trans-98.9122.1175.3178.40000108.5V19 F24 S25 V95V17-V19 HydrophobicContact CG1-CG2 3.86Å; V17-F24 HydrophobicContact CG1-CD2 4.27Å; V17-F24 HydrophobicContact CG1-CE2 3.59Å; V17-F24 HydrophobicContact CG1-CZ 4.45Å; V17-S25 WeakPolarHBondContact CA-O 3.4Å; V17-V95 HydrophobicContact CG2-CG2 4.12Å
18K42.2Very low47.5Very low139 Ų13969.1 Ų69.160%0.60441%0.414SS*.EExtended strand (participates in β ladder)trans-119.2116.8167.7-171.6-179.4178.6-173.90108.1S25K18-S25 PolarHBondContact N-O 3.3Å; K18-S25 VanDerWaalsContact N-O 3.16Å; K18-S25 PolarHBondContact O-N 3.45Å; K18-S25 VanDerWaalsContact O-N 3.17Å; K18-S25 PolarHBondContact O-OG 2.93Å
19V42.7Very low49Very low96 Ų9664.3 Ų64.358%0.58240%0.402SS*.EExtended strand (participates in β ladder)trans-103.3112.5172-169.80000107V17 F24V17-V19 HydrophobicContact CG1-CG2 3.86Å; V19-F24 HydrophobicContact CG2-CD2 4.14Å
20D51.5Low50.5Low104 Ų10461.7 Ų61.756%0.55638%0.383SS*.EExtended strand (participates in β ladder)trans-110.8158.6164.4-162.7-15.2000107.4A22 V23D20-A22 PolarHBondContact O-N 3.28Å; D20-V23 PolarHBondContact N-O 2.88Å; D20-V23 PolarHBondContact O-N 3.33Å; D20-V23 VanDerWaalsContact O-N 3.15Å
21A52.3Low51.4Low109 Ų10960.9 Ų60.990%0.90136%0.36SS*.THydrogen-bonded Turntrans-55.8-12.1-172.400000114.7
22A56.4Low52.5Low60 Ų6061.7 Ų61.750%0.49636%0.364SS..THydrogen-bonded Turntrans-118.2-18.9-178.300000115.4D20 A67D20-A22 PolarHBondContact O-N 3.28Å; A22-A67 PolarHBondContact O-N 2.84Å
23V54.3Low53.1Low58 Ų5857.7 Ų57.735%0.35236%0.364SS..EExtended strand (participates in β ladder)trans-147.5125.6-171.7-175.60000110.9D20 Q64D20-V23 PolarHBondContact N-O 2.88Å; D20-V23 PolarHBondContact O-N 3.33Å; D20-V23 VanDerWaalsContact O-N 3.15Å; V23-Q64 HydrophobicContact CG1-CB 4.48Å
24F60.6Low53.8Low4 Ų458.5 Ų58.52%0.01837%0.369CS..EExtended strand (participates in β ladder)trans-86.7128.1162.2173.1-105.9000109.1V17 V19 M26 L63 Q64 I65 L97V17-F24 HydrophobicContact CG1-CD2 4.27Å; V17-F24 HydrophobicContact CG1-CE2 3.59Å; V17-F24 HydrophobicContact CG1-CZ 4.45Å; V19-F24 HydrophobicContact CG2-CD2 4.14Å; F24-M26 HydrophobicContact CE1-CB 4.1Å; F24-M26 HydrophobicContact CZ-CB 4.11Å; F24-L63 HydrophobicContact CD1-CD2 3.83Å; F24-L63 HydrophobicContact CE1-CD2 3.66Å; F24-Q64 VanDerWaalsContact O-CA 3.29Å; F24-Q64 WeakPolarHBondContact O-CA 3.25Å; F24-I65 HydrophobicContact CB-CB 4.38Å; F24-I65 HydrophobicContact CD1-CD1 4.11Å; F24-I65 HydrophobicContact CD1-CG1 4.43Å; F24-I65 PolarHBondContact N-O 3.37Å; F24-I65 PolarHBondContact O-N 2.98Å; F24-L97 HydrophobicContact CB-CD2 4.5Å; F24-L97 HydrophobicContact CD1-CD2 3.92Å; F24-L97 HydrophobicContact CD2-CD1 3.42Å; F24-L97 VanDerWaalsContact CD2-CD1 3.42Å; F24-L97 HydrophobicContact CD2-CD2 4.24Å; F24-L97 HydrophobicContact CD2-CG 4.38Å; F24-L97 HydrophobicContact CE1-CD2 4.13Å; F24-L97 HydrophobicContact CE2-CB 4.45Å; F24-L97 HydrophobicContact CE2-CD1 3.58Å; F24-L97 HydrophobicContact CE2-CD2 4.44Å; F24-L97 HydrophobicContact CE2-CG 4.37Å; F24-L97 HydrophobicContact CG-CD1 3.95Å; F24-L97 HydrophobicContact CG-CD2 3.96Å; F24-L97 HydrophobicContact CZ-CB 4.35Å; F24-L97 HydrophobicContact CZ-CD1 4.23Å; F24-L97 HydrophobicContact CZ-CD2 4.39Å
25S55.2Low54.2Low22 Ų2258.1 Ų58.115%0.15437%0.367CS..EExtended strand (participates in β ladder)trans-129.6129.9174.1640000111.4V17 K18 L63V17-S25 WeakPolarHBondContact CA-O 3.4Å; K18-S25 PolarHBondContact N-O 3.3Å; K18-S25 VanDerWaalsContact N-O 3.16Å; K18-S25 PolarHBondContact O-N 3.45Å; K18-S25 VanDerWaalsContact O-N 3.17Å; K18-S25 PolarHBondContact O-OG 2.93Å; S25-L63 WeakPolarHBondContact CA-O 3.46Å
26M61.8Low54.6Low0 Ų058.4 Ų58.40%037%0.37CS..EExtended strand (participates in β ladder)trans-119.6126.5172176.8175.365.400107.8F15 F24 W28 L38 Q62 L63 V78 V95F15-M26 HydrophobicContact CD1-CG 3.89Å; F15-M26 HydrophobicContact CD1-SD 3.83Å; F15-M26 HydrophobicContact CE1-CG 4.37Å; F15-M26 HydrophobicContact CE1-SD 3.78Å; F15-M26 HydrophobicContact CZ-SD 4.37Å; F24-M26 HydrophobicContact CE1-CB 4.1Å; F24-M26 HydrophobicContact CZ-CB 4.11Å; M26-W28 HydrophobicContact CE-CE3 4.24Å; M26-W28 HydrophobicContact CE-CZ3 3.86Å; M26-W28 HydrophobicContact CG-CE3 4.18Å; M26-W28 HydrophobicContact CG-CZ3 4.38Å; M26-L38 HydrophobicContact CE-CD1 4.16Å; M26-Q62 CarbonylContact O-C 3.58Å; M26-Q62 VanDerWaalsContact O-CA 3.26Å; M26-Q62 WeakPolarHBondContact O-CA 3.27Å; M26-Q62 WeakPolarHBondContact O-CG 3.19Å; M26-L63 HydrophobicContact CE-CB 4.19Å; M26-L63 PolarHBondContact N-O 3.15Å; M26-L63 PolarHBondContact O-N 3.5Å; M26-V78 HydrophobicContact CE-CG2 3.67Å; M26-V78 HydrophobicContact SD-CG2 4.34Å; M26-V95 HydrophobicContact SD-CB 4.49Å; M26-V95 HydrophobicContact SD-CG1 3.38Å; M26-V95 WeakPolarHBondContact SD-CG1 3.3Å
27S60.8Low55.1Low41 Ų4155.5 Ų55.529%0.28736%0.355SS..EExtended strand (participates in β ladder)trans-122.9149175.256.40000111.1F15 T16 T61F15-S27 WeakPolarHBondContact CA-O 3.48Å; T16-S27 PolarHBondContact N-O 3.34Å; T16-S27 PolarHBondContact O-N 2.86Å; T16-S27 PolarHBondContact O-OG 2.9Å; S27-T61 VanDerWaalsContact CA-O 3.25Å; S27-T61 WeakPolarHBondContact CA-O 3.44Å
28W63.9Low55.8Low13 Ų1353.1 Ų53.15%0.04934%0.34CS..  trans-14315817959.488.8000110.7I13 F15 M26 L38 A60 T61 L63 V78I13-W28 HydrophobicContact CG2-CB 3.89Å; F15-W28 HydrophobicContact CD1-CB 4.44Å; M26-W28 HydrophobicContact CE-CE3 4.24Å; M26-W28 HydrophobicContact CE-CZ3 3.86Å; M26-W28 HydrophobicContact CG-CE3 4.18Å; M26-W28 HydrophobicContact CG-CZ3 4.38Å; W28-L38 HydrophobicContact CH2-CD1 4.18Å; W28-L38 HydrophobicContact CH2-CD2 4.18Å; W28-A60 VanDerWaalsContact CE2-O 3.3Å; W28-A60 WeakPolarHBondContact CZ2-O 3.27Å; W28-A60 PolarHBondContact NE1-O 3.5Å; W28-T61 PolarHBondContact N-O 3.49Å; W28-L63 HydrophobicContact CH2-CB 4.17Å; W28-L63 HydrophobicContact CZ3-CB 3.98Å; W28-L63 VanDerWaalsContact CZ3-N 3.31Å; W28-V78 HydrophobicContact CD2-CG1 4.25Å; W28-V78 HydrophobicContact CD2-CG2 4.19Å; W28-V78 HydrophobicContact CE3-CG2 3.98Å; W28-V78 HydrophobicContact CG-CG1 4.39Å; W28-V78 HydrophobicContact CZ3-CG2 4.22Å
29A59.7Low56.7Low62 Ų6250.8 Ų50.851%0.51233%0.328SS..  trans-126.4134173.600000109.9
30Y61.1Low57.6Low32 Ų3246.5 Ų46.513%0.12530%0.302CS..  trans-140.3146.9169.8-164.1-107.9000107.2T32 D34 V80Y30-T32 WeakPolarHBondContact CD1-OG1 3.3Å; Y30-T32 HydrophobicContact CE1-CG2 4.28Å; Y30-T32 WeakPolarHBondContact CE1-OG1 3.2Å; Y30-D34 HydrophobicContact CE1-CB 4.43Å; Y30-V80 HydrophobicContact CD1-CG1 3.86Å; Y30-V80 HydrophobicContact CD2-CG2 4.21Å; Y30-V80 HydrophobicContact CE1-CG1 3.45Å; Y30-V80 VanDerWaalsContact CE1-CG1 3.45Å; Y30-V80 HydrophobicContact CE2-CG1 4.37Å; Y30-V80 HydrophobicContact CE2-CG2 4.31Å; Y30-V80 HydrophobicContact CG-CG1 4.46Å; Y30-V80 HydrophobicContact CG-CG2 4.31Å
31Q55.2Low57.8Low52 Ų5245.1 Ų45.124%0.24329%0.292CS..  trans-125.243.1-161.7-62.9165.612.300112.4V5 Q6 V7V5-Q31 WeakPolarHBondContact O-CG 3.43Å; V5-Q31 PolarHBondContact O-OE1 3Å; Q6-Q31 PolarHBondContact O-OE1 3.37Å; V7-Q31 HydrophobicContact CB-CB 3.8Å; V7-Q31 VanDerWaalsContact CB-CD 3.49Å; V7-Q31 HydrophobicContact CB-CG 4.05Å; V7-Q31 VanDerWaalsContact CG1-OE1 3.24Å; V7-Q31 HydrophobicContact CG2-CB 3.61Å; V7-Q31 HydrophobicContact CG2-CG 3.42Å; V7-Q31 VanDerWaalsContact CG2-CG 3.42Å; V7-Q31 VanDerWaalsContact N-CD 3.34Å
32T56.4Low57.8Low48 Ų4844.3 Ų44.329%0.29428%0.28SS..SBendtrans-136.8162.2169.463.50000111Y30 D34Y30-T32 WeakPolarHBondContact CD1-OG1 3.3Å; Y30-T32 HydrophobicContact CE1-CG2 4.28Å; Y30-T32 WeakPolarHBondContact CE1-OG1 3.2Å; T32-D34 PolarHBondContact O-N 2.9Å; T32-D34 VanDerWaalsContact OG1-CG 3.3Å; T32-D34 PolarHBondContact OG1-OD2 3.36Å
33G52Low57.7Low70 Ų7043.5 Ų43.572%0.72228%0.277SS*.SBendtrans-73.733.6175.400000114.9T83G33-T83 WeakPolarHBondContact O-CG2 3.24Å; G33-T83 PolarHBondContact O-OG1 2.94Å
34D58.8Low57.7Low25 Ų2543.7 Ų43.713%0.13428%0.278CS..PPolyproline II helixtrans-84.2156.1174.6-69-45.8000110.6Y30 T32 V80 P82 K90Y30-D34 HydrophobicContact CE1-CB 4.43Å; T32-D34 PolarHBondContact O-N 2.9Å; T32-D34 VanDerWaalsContact OG1-CG 3.3Å; T32-D34 PolarHBondContact OG1-OD2 3.36Å; D34-V80 HydrophobicContact CB-CG1 4.24Å; D34-P82 WeakPolarHBondContact OD1-CA 3.34Å; D34-K90 IonicContact OD1-NZ 2.78Å; D34-K90 PolarHBondContact OD1-NZ 3.45Å; D34-K90 IonicContact OD2-NZ 3.84Å; D34-K90 PolarHBondContact OD2-NZ 2.93Å
35T54.4Low57.3Low86 Ų8647 Ų4753%0.52830%0.302SS..EExtended strand (participates in β ladder)trans-88.2131.9177.6-450000109.3V81 T83T35-V81 PolarHBondContact N-O 3.3Å; T35-V81 VanDerWaalsContact N-O 3.08Å; T35-V81 PolarHBondContact O-N 2.77Å; T35-V81 VanDerWaalsContact O-N 3.11Å; T35-T83 VanDerWaalsContact OG1-CG2 3.26Å; T35-T83 WeakPolarHBondContact OG1-CG2 3.44Å
36L56.8Low57.2Low48 Ų4850.2 Ų50.225%0.25132%0.317SS..EExtended strand (participates in β ladder)trans-85.4116.9177.2-72.7148.7000108.9A60 V78 V80L36-A60 HydrophobicContact CD1-CB 4.43Å; L36-A60 WeakPolarHBondContact CD1-O 3.41Å; L36-V78 HydrophobicContact CD2-CG1 4.43Å; L36-V80 HydrophobicContact CD2-CG2 3.97Å
37A56.1Low56.8Low30 Ų3055.1 Ų55.125%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-100.3109.8174.500000108.5E79 V81A37-E79 CarbonylContact C-O 3.57Å; A37-E79 PolarHBondContact N-O 2.88Å; A37-E79 CarbonylContact O-C 3.48Å; A37-E79 WeakPolarHBondContact O-CA 3.3Å; A37-E79 WeakPolarHBondContact O-CB 3.44Å; A37-E79 PolarHBondContact O-N 3.4Å; A37-V81 HydrophobicContact CB-CG2 3.6Å
38L59.7Low56.4Low17 Ų1757 Ų579%0.08936%0.357CS..EExtended strand (participates in β ladder)trans-93.3129.7178.3-179.267.6000110.1M26 W28 S45 I58 L63 V78M26-L38 HydrophobicContact CE-CD1 4.16Å; W28-L38 HydrophobicContact CH2-CD1 4.18Å; W28-L38 HydrophobicContact CH2-CD2 4.18Å; L38-S45 VanDerWaalsContact O-CB 3.23Å; L38-S45 WeakPolarHBondContact O-CB 3.33Å; L38-I58 HydrophobicContact CB-CG2 4.44Å; L38-I58 HydrophobicContact CD2-CB 4.14Å; L38-I58 HydrophobicContact CD2-CD1 3.72Å; L38-I58 HydrophobicContact CD2-CG1 3.61Å; L38-I58 HydrophobicContact CD2-CG2 3.41Å; L38-I58 VanDerWaalsContact CD2-CG2 3.41Å; L38-L63 HydrophobicContact CD1-CD1 4.37Å; L38-L63 HydrophobicContact CD2-CB 3.94Å; L38-L63 HydrophobicContact CD2-CD1 3.58Å; L38-L63 HydrophobicContact CD2-CG 4.28Å; L38-L63 HydrophobicContact CG-CD1 4.31Å; L38-V78 HydrophobicContact CD1-CG2 3.78Å
39W60.7Low56.3Low90 Ų9057.4 Ų57.434%0.34136%0.361SS..EExtended strand (participates in β ladder)trans-116.3130.9176.3-61.885.8000110.5G43 T77 E79W39-G43 VanDerWaalsContact CE3-C 3.5Å; W39-G43 WeakPolarHBondContact CZ3-O 3.44Å; W39-T77 PolarHBondContact N-O 2.64Å; W39-T77 PolarHBondContact O-N 3.23Å; W39-E79 VanDerWaalsContact CD1-CD 3.48Å; W39-E79 PolarHBondContact NE1-OE2 3.38Å
40T62.8Low56.6Low6 Ų659.8 Ų59.84%0.03737%0.371CS..BIsolated β-bridgetrans-94.5155174.571.40000110.7S42 G43 T44 F52 Y76T40-S42 PolarHBondContact O-N 3.3Å; T40-G43 PolarHBondContact O-N 2.91Å; T40-T44 PolarHBondContact OG1-O 3.37Å; T40-F52 HydrophobicContact CG2-CE2 4.08Å; T40-Y76 HydrophobicContact CG2-CD1 4.48Å; T40-Y76 HydrophobicContact CG2-CE1 4.42Å
41Q56Low57Low74 Ų7460.6 Ų60.635%0.34638%0.376SS..THydrogen-bonded Turntrans3.4-26.8176-157.4178.5-0.300121.9N71 A73 F75Q41-N71 PolarHBondContact OE1-O 2.88Å; Q41-A73 PolarHBondContact NE2-O 2.75Å; Q41-F75 VanDerWaalsContact CA-O 3.32Å; Q41-F75 WeakPolarHBondContact CA-O 3.47Å; Q41-F75 PolarHBondContact N-O 3Å
42S51.7Low57.6Low93 Ų9358.2 Ų58.265%0.6537%0.365SS*.THydrogen-bonded Turntrans-144.814-172.2450000114.7T40T40-S42 PolarHBondContact O-N 3.3Å
43G54.6Low58.4Low42 Ų4265.9 Ų65.943%0.43339%0.388SS..THydrogen-bonded Turntrans84.426.817800000113.6W39 T40W39-G43 VanDerWaalsContact CE3-C 3.5Å; W39-G43 WeakPolarHBondContact CZ3-O 3.44Å; T40-G43 PolarHBondContact O-N 2.91Å
44T53.6Low59.4Low63 Ų6366.8 Ų66.839%0.38740%0.397SS..BIsolated β-bridgetrans-118.3119.9172.649.50000109.8T40 V49T40-T44 PolarHBondContact OG1-O 3.37Å; T44-V49 WeakPolarHBondContact OG1-CG2 3.31Å
45S51.6Low60.1Low74 Ų7467.6 Ų67.652%0.51740%0.399SS..  trans-104.465.2-179.949.10000109.2L38L38-S45 VanDerWaalsContact O-CB 3.23Å; L38-S45 WeakPolarHBondContact O-CB 3.33Å
46D54.7Low61Low88 Ų8864.6 Ų64.647%0.47138%0.379SS..SBendtrans-153.8141.2178-165.43.3000113.1S48 V49D46-S48 WeakPolarHBondContact CB-OG 3.31Å; D46-S48 PolarHBondContact O-N 2.96Å; D46-S48 PolarHBondContact OD1-N 3.47Å; D46-S48 WeakPolarHBondContact OD2-CB 3.27Å; D46-S48 PolarHBondContact OD2-OG 3.34Å; D46-V49 WeakPolarHBondContact O-CG2 3.33Å; D46-V49 PolarHBondContact O-N 3.28Å; D46-V49 VanDerWaalsContact O-N 3.14Å
47N51.5Low61.8Low104 Ų10465.4 Ų65.456%0.55639%0.389SS*.THydrogen-bonded Turntrans-59.5-4.4166.6-77-22.7000112.7V49N47-V49 VanDerWaalsContact C-N 3.32Å
48S52.9Low62.7Low80 Ų8067.6 Ų67.656%0.55940%0.395SS*.THydrogen-bonded Turntrans-76.2-11.1172.164.90000114.4D46 P50D46-S48 WeakPolarHBondContact CB-OG 3.31Å; D46-S48 PolarHBondContact O-N 2.96Å; D46-S48 PolarHBondContact OD1-N 3.47Å; D46-S48 WeakPolarHBondContact OD2-CB 3.27Å; D46-S48 PolarHBondContact OD2-OG 3.34Å; S48-P50 WeakPolarHBondContact O-CD 3.38Å
49V63.2Low63.3Low21 Ų2169.3 Ų69.313%0.12741%0.409CS..  trans-65.6115.1171.7-176.70000108.7T44 D46 N47 Q51 F52T44-V49 WeakPolarHBondContact OG1-CG2 3.31Å; D46-V49 WeakPolarHBondContact O-CG2 3.33Å; D46-V49 PolarHBondContact O-N 3.28Å; D46-V49 VanDerWaalsContact O-N 3.14Å; N47-V49 VanDerWaalsContact C-N 3.32Å; V49-Q51 HydrophobicContact CG1-CB 4.21Å; V49-Q51 HydrophobicContact CG1-CG 3.72Å; V49-Q51 PolarHBondContact O-N 3.48Å; V49-F52 HydrophobicContact CB-CD2 3.98Å; V49-F52 HydrophobicContact CG1-CD2 4.05Å; V49-F52 HydrophobicContact CG1-CE2 4.37Å; V49-F52 PolarHBondContact O-N 3.05Å; V49-F52 VanDerWaalsContact O-N 3.09Å
50P66.1Low63.7Low113 Ų11368.2 Ų68.273%0.73442%0.419SS*.G310 helixtrans-57-29.4-173.7-27.436.1000113.7S48 F52 R53S48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-F52 PolarHBondContact O-N 3.47Å; P50-R53 PolarHBondContact O-N 3Å
51Q67.4Low64.1Low48 Ų4871.7 Ų71.722%0.22444%0.44CS..G310 helixtrans-59.9-34.4-178.892.1-169.536.900112.5V49 R55V49-Q51 HydrophobicContact CG1-CB 4.21Å; V49-Q51 HydrophobicContact CG1-CG 3.72Å; V49-Q51 PolarHBondContact O-N 3.48Å; Q51-R55 PolarHBondContact O-NH2 3.34Å
52F69.6Low64.7Low3 Ų371 Ų711%0.01344%0.437CS..G310 helixtrans-100.21.9-171.3-66.4-47.3000114.7T40 V49 P50 G54 R55 L56 I65 D72 Y76T40-F52 HydrophobicContact CG2-CE2 4.08Å; V49-F52 HydrophobicContact CB-CD2 3.98Å; V49-F52 HydrophobicContact CG1-CD2 4.05Å; V49-F52 HydrophobicContact CG1-CE2 4.37Å; V49-F52 PolarHBondContact O-N 3.05Å; V49-F52 VanDerWaalsContact O-N 3.09Å; P50-F52 PolarHBondContact O-N 3.47Å; F52-G54 PolarHBondContact O-N 3.38Å; F52-G54 VanDerWaalsContact O-N 3.11Å; F52-R55 PolarHBondContact O-N 2.98Å; F52-L56 HydrophobicContact CB-CB 3.76Å; F52-L56 HydrophobicContact CB-CD2 3.9Å; F52-L56 HydrophobicContact CB-CG 4.46Å; F52-L56 HydrophobicContact CD2-CD2 4.01Å; F52-L56 HydrophobicContact CG-CB 4.34Å; F52-L56 HydrophobicContact CG-CD2 4.03Å; F52-L56 PolarHBondContact O-N 3.4Å; F52-I65 HydrophobicContact CD1-CD1 4.43Å; F52-I65 HydrophobicContact CE1-CD1 3.85Å; F52-I65 HydrophobicContact CE1-CG1 4.48Å; F52-D72 HydrophobicContact CE1-CB 4.43Å; F52-D72 WeakPolarHBondContact CE1-OD1 3.33Å; F52-Y76 WeakPolarHBondContact CE1-OH 3.4Å; F52-Y76 AromaticContact CZ-CE1 3.96Å; F52-Y76 HydrophobicContact CZ-CE1 3.96Å; F52-Y76 WeakPolarHBondContact CZ-OH 3.43Å
53R72.4Confident65.8Low209 Ų20966.6 Ų66.679%0.78941%0.406SS*.THydrogen-bonded Turntrans-56.7116.7-169.3-171.3175.3-176.7165.11.7112P50 R55P50-R53 PolarHBondContact O-N 3Å; R53-R55 PolarHBondContact O-N 3.5Å
54G72Confident66.6Low88 Ų8867.9 Ų67.991%0.90740%0.401SS*.THydrogen-bonded Turntrans75.25178.800000115.4F52F52-G54 PolarHBondContact O-N 3.38Å; F52-G54 VanDerWaalsContact O-N 3.11Å
55R73.6Confident67.5Low43 Ų4364.9 Ų64.916%0.16238%0.383CS..THydrogen-bonded Turntrans-117.5-20.8-178.9-62.9-170.6-55.1110.9-4.4113.3Q51 F52 R53 I65 G66 A67 D72Q51-R55 PolarHBondContact O-NH2 3.34Å; F52-R55 PolarHBondContact O-N 2.98Å; R53-R55 PolarHBondContact O-N 3.5Å; R55-I65 CarbonylContact O-C 3.57Å; R55-I65 WeakPolarHBondContact O-CA 3.47Å; R55-G66 WeakPolarHBondContact CB-O 3.26Å; R55-G66 WeakPolarHBondContact CD-O 3.4Å; R55-G66 PolarHBondContact NH1-O 2.95Å; R55-G66 PolarHBondContact O-N 2.74Å; R55-A67 PolarHBondContact NH1-O 3.22Å; R55-D72 IonicContact CZ-OD1 3.26Å; R55-D72 IonicContact CZ-OD2 3.9Å; R55-D72 IonicContact NH1-OD1 3.84Å; R55-D72 IonicContact NH1-OD2 3.45Å; R55-D72 PolarHBondContact NH1-OD2 3.42Å; R55-D72 IonicContact NH2-OD1 2.67Å; R55-D72 PolarHBondContact NH2-OD1 3.03Å; R55-D72 IonicContact NH2-OD2 2.76Å; R55-D72 PolarHBondContact NH2-OD2 2.96Å; R55-D72 VanDerWaalsContact NH2-OD2 3.15Å
56L74.3Confident68.2Low22 Ų2262.4 Ų62.412%0.11537%0.369CS..EExtended strand (participates in β ladder)trans-93.1130.6-177.9177.867.5000111.6F52 I58 L63 Q64 I65F52-L56 HydrophobicContact CB-CB 3.76Å; F52-L56 HydrophobicContact CB-CD2 3.9Å; F52-L56 HydrophobicContact CB-CG 4.46Å; F52-L56 HydrophobicContact CD2-CD2 4.01Å; F52-L56 HydrophobicContact CG-CB 4.34Å; F52-L56 HydrophobicContact CG-CD2 4.03Å; F52-L56 PolarHBondContact O-N 3.4Å; L56-I58 HydrophobicContact CD1-CD1 4.07Å; L56-I58 HydrophobicContact CD1-CG1 3.86Å; L56-I58 HydrophobicContact CD2-CD1 3.7Å; L56-I58 HydrophobicContact CD2-CG1 4.32Å; L56-I58 HydrophobicContact CG-CD1 3.87Å; L56-I58 HydrophobicContact CG-CG1 3.92Å; L56-L63 HydrophobicContact CD1-CD1 3.85Å; L56-L63 HydrophobicContact CD1-CG 3.93Å; L56-Q64 CarbonylContact C-O 3.52Å; L56-Q64 WeakPolarHBondContact CA-O 3.42Å; L56-I65 HydrophobicContact CD1-CG1 3.88Å
57S74.3Confident68.9Low66 Ų6661.3 Ų61.346%0.46237%0.372SS..EExtended strand (participates in β ladder)trans-126.7124.3169.7-171.60000109.2L63 Q64S57-L63 CarbonylContact O-C 3.6Å; S57-L63 WeakPolarHBondContact O-CA 3.31Å; S57-Q64 PolarHBondContact N-O 3.13Å; S57-Q64 PolarHBondContact O-N 3.11Å
58I73.8Confident69.8Low75 Ų7558.5 Ų58.539%0.38536%0.363SS..EExtended strand (participates in β ladder)trans-122.3131.2-178.7-62.6164.5000108.2L38 L56 L63L38-I58 HydrophobicContact CB-CG2 4.44Å; L38-I58 HydrophobicContact CD2-CB 4.14Å; L38-I58 HydrophobicContact CD2-CD1 3.72Å; L38-I58 HydrophobicContact CD2-CG1 3.61Å; L38-I58 HydrophobicContact CD2-CG2 3.41Å; L38-I58 VanDerWaalsContact CD2-CG2 3.41Å; L56-I58 HydrophobicContact CD1-CD1 4.07Å; L56-I58 HydrophobicContact CD1-CG1 3.86Å; L56-I58 HydrophobicContact CD2-CD1 3.7Å; L56-I58 HydrophobicContact CD2-CG1 4.32Å; L56-I58 HydrophobicContact CG-CD1 3.87Å; L56-I58 HydrophobicContact CG-CG1 3.92Å; I58-L63 HydrophobicContact CG1-CD1 4.44Å
59S72.8Confident70.7Confident54 Ų5459 Ų5938%0.37836%0.356SS..  trans-127.3177.1171.570.90000109.8T61 Q62S59-T61 PolarHBondContact O-N 3.37Å; S59-T61 VanDerWaalsContact O-N 3.14Å; S59-T61 PolarHBondContact OG-N 3Å; S59-Q62 PolarHBondContact N-O 3.02Å; S59-Q62 WeakPolarHBondContact OG-CB 3.35Å; S59-Q62 PolarHBondContact OG-N 2.98Å; S59-Q62 PolarHBondContact OG-O 3.26Å
60A68.5Low71.2Confident67 Ų6762.4 Ų62.455%0.55437%0.373SS*.SBendtrans-57.5-27.8175.700000112.9W28 L36W28-A60 VanDerWaalsContact CE2-O 3.3Å; W28-A60 WeakPolarHBondContact CZ2-O 3.27Å; W28-A60 PolarHBondContact NE1-O 3.5Å; L36-A60 HydrophobicContact CD1-CB 4.43Å; L36-A60 WeakPolarHBondContact CD1-O 3.41Å
61T70.7Confident71.7Confident78 Ų7860.9 Ų60.948%0.47936%0.359SS..SBendtrans-123.20.2-172.355.80000113.9S27 W28 S59S27-T61 VanDerWaalsContact CA-O 3.25Å; S27-T61 WeakPolarHBondContact CA-O 3.44Å; W28-T61 PolarHBondContact N-O 3.49Å; S59-T61 PolarHBondContact O-N 3.37Å; S59-T61 VanDerWaalsContact O-N 3.14Å; S59-T61 PolarHBondContact OG-N 3Å
62Q70.5Confident72Confident61 Ų6158.6 Ų58.629%0.28535%0.349SS..EExtended strand (participates in β ladder)trans-153137.8-170.8-163.6175.117.800112.7M26 S59 Q64M26-Q62 CarbonylContact O-C 3.58Å; M26-Q62 VanDerWaalsContact O-CA 3.26Å; M26-Q62 WeakPolarHBondContact O-CA 3.27Å; M26-Q62 WeakPolarHBondContact O-CG 3.19Å; S59-Q62 PolarHBondContact N-O 3.02Å; S59-Q62 WeakPolarHBondContact OG-CB 3.35Å; S59-Q62 PolarHBondContact OG-N 2.98Å; S59-Q62 PolarHBondContact OG-O 3.26Å; Q62-Q64 VanDerWaalsContact CD-NE2 3.33Å; Q62-Q64 HydrophobicContact CG-CG 3.95Å
63L73.8Confident72.3Confident0 Ų060 Ų600%036%0.361CS..EExtended strand (participates in β ladder)trans-111.3133.7162170149.3000108.3F24 S25 M26 W28 L38 L56 S57 I58 I65 Y76F24-L63 HydrophobicContact CD1-CD2 3.83Å; F24-L63 HydrophobicContact CE1-CD2 3.66Å; S25-L63 WeakPolarHBondContact CA-O 3.46Å; M26-L63 HydrophobicContact CE-CB 4.19Å; M26-L63 PolarHBondContact N-O 3.15Å; M26-L63 PolarHBondContact O-N 3.5Å; W28-L63 HydrophobicContact CH2-CB 4.17Å; W28-L63 HydrophobicContact CZ3-CB 3.98Å; W28-L63 VanDerWaalsContact CZ3-N 3.31Å; L38-L63 HydrophobicContact CD1-CD1 4.37Å; L38-L63 HydrophobicContact CD2-CB 3.94Å; L38-L63 HydrophobicContact CD2-CD1 3.58Å; L38-L63 HydrophobicContact CD2-CG 4.28Å; L38-L63 HydrophobicContact CG-CD1 4.31Å; L56-L63 HydrophobicContact CD1-CD1 3.85Å; L56-L63 HydrophobicContact CD1-CG 3.93Å; S57-L63 CarbonylContact O-C 3.6Å; S57-L63 WeakPolarHBondContact O-CA 3.31Å; I58-L63 HydrophobicContact CG1-CD1 4.44Å; L63-I65 HydrophobicContact CD2-CD1 4.02Å; L63-I65 HydrophobicContact CD2-CG1 3.94Å; L63-Y76 HydrophobicContact CD1-CD1 4.11Å; L63-Y76 HydrophobicContact CD1-CE1 4.47Å
64Q71.6Confident72.4Confident69 Ų6950.9 Ų50.932%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-127.7134173.1-60.4-175.8-24.900110.1V23 F24 L56 S57 Q62V23-Q64 HydrophobicContact CG1-CB 4.48Å; F24-Q64 VanDerWaalsContact O-CA 3.29Å; F24-Q64 WeakPolarHBondContact O-CA 3.25Å; L56-Q64 CarbonylContact C-O 3.52Å; L56-Q64 WeakPolarHBondContact CA-O 3.42Å; S57-Q64 PolarHBondContact N-O 3.13Å; S57-Q64 PolarHBondContact O-N 3.11Å; Q62-Q64 VanDerWaalsContact CD-NE2 3.33Å; Q62-Q64 HydrophobicContact CG-CG 3.95Å
65I72.5Confident72.5Confident0 Ų052.5 Ų52.50%031%0.314CS..EExtended strand (participates in β ladder)trans-119.6111.2170.1-58.4166.3000107F24 F52 R55 L56 L63 Y76 L97F24-I65 HydrophobicContact CB-CB 4.38Å; F24-I65 HydrophobicContact CD1-CD1 4.11Å; F24-I65 HydrophobicContact CD1-CG1 4.43Å; F24-I65 PolarHBondContact N-O 3.37Å; F24-I65 PolarHBondContact O-N 2.98Å; F52-I65 HydrophobicContact CD1-CD1 4.43Å; F52-I65 HydrophobicContact CE1-CD1 3.85Å; F52-I65 HydrophobicContact CE1-CG1 4.48Å; R55-I65 CarbonylContact O-C 3.57Å; R55-I65 WeakPolarHBondContact O-CA 3.47Å; L56-I65 HydrophobicContact CD1-CG1 3.88Å; L63-I65 HydrophobicContact CD2-CD1 4.02Å; L63-I65 HydrophobicContact CD2-CG1 3.94Å; I65-Y76 HydrophobicContact CD1-CE1 3.78Å; I65-Y76 WeakPolarHBondContact CD1-OH 3.49Å; I65-L97 HydrophobicContact CD1-CD2 4.3Å
66G66.9Low72.4Confident22 Ų2250.4 Ų50.423%0.22731%0.306CS..EExtended strand (participates in β ladder)trans-77.2150.7172.700000111.7R55 A68R55-G66 WeakPolarHBondContact CB-O 3.26Å; R55-G66 WeakPolarHBondContact CD-O 3.4Å; R55-G66 PolarHBondContact NH1-O 2.95Å; R55-G66 PolarHBondContact O-N 2.74Å; G66-A68 PolarHBondContact O-N 3.2Å
67A69.3Low72.4Confident64 Ų6450.8 Ų50.853%0.52931%0.309SS..SBendtrans45.861.2178.200000112.1A22 R55A22-A67 PolarHBondContact O-N 2.84Å; R55-A67 PolarHBondContact NH1-O 3.22Å
68A69.4Low72.3Confident45 Ų4547.6 Ų47.637%0.37229%0.287SS..  trans-54.2138.7-175.600000112.1G66 D72 V99G66-A68 PolarHBondContact O-N 3.2Å; A68-D72 WeakPolarHBondContact CA-OD2 3.48Å; A68-V99 HydrophobicContact CB-CG1 4.4Å
69Q72.9Confident72.2Confident90 Ų9046.2 Ų46.242%0.42128%0.279SS..  trans-119.5157.7-177.5-61.7-177-2300110.4N71 D72 V99Q69-N71 WeakPolarHBondContact CB-OD1 3.43Å; Q69-N71 PolarHBondContact O-N 3.21Å; Q69-N71 PolarHBondContact OE1-OD1 3.19Å; Q69-D72 PolarHBondContact N-OD2 2.83Å; Q69-D72 VanDerWaalsContact O-CB 3.27Å; Q69-D72 WeakPolarHBondContact O-CB 3.28Å; Q69-D72 PolarHBondContact O-N 2.81Å; Q69-V99 WeakPolarHBondContact O-CG1 3.15Å
70L73.3Confident72.1Confident93 Ų9343.6 Ų43.649%0.48726%0.261SS..G310 helixtrans-57.3-34.5-178.2-72.1175.4000113.5D72 A73 V99 D101 T130L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 2.88Å; L70-A73 WeakPolarHBondContact O-CB 3.39Å; L70-A73 PolarHBondContact O-N 3.23Å; L70-V99 HydrophobicContact CD2-CG1 4.45Å; L70-V99 WeakPolarHBondContact CD2-O 3.43Å; L70-D101 HydrophobicContact CD1-CB 4.33Å; L70-D101 HydrophobicContact CD2-CB 4.22Å; L70-T130 HydrophobicContact CD2-CG2 3.99Å
71N76.4Confident72.2Confident82 Ų8241.7 Ų41.744%0.43924%0.242SC..G310 helixtrans-76.2-917762.6-25.2000113.8Q41 Q69 A73Q41-N71 PolarHBondContact OE1-O 2.88Å; Q69-N71 WeakPolarHBondContact CB-OD1 3.43Å; Q69-N71 PolarHBondContact O-N 3.21Å; Q69-N71 PolarHBondContact OE1-OD1 3.19Å; N71-A73 PolarHBondContact O-N 2.74Å
72D74.5Confident71.9Confident0 Ų038.4 Ų38.40%022%0.222CC..G310 helixtrans-75.7-11.5170.7-60.1-33.2000111.3F52 R55 A68 Q69 L70 Y76 L97 V99F52-D72 HydrophobicContact CE1-CB 4.43Å; F52-D72 WeakPolarHBondContact CE1-OD1 3.33Å; R55-D72 IonicContact CZ-OD1 3.26Å; R55-D72 IonicContact CZ-OD2 3.9Å; R55-D72 IonicContact NH1-OD1 3.84Å; R55-D72 IonicContact NH1-OD2 3.45Å; R55-D72 PolarHBondContact NH1-OD2 3.42Å; R55-D72 IonicContact NH2-OD1 2.67Å; R55-D72 PolarHBondContact NH2-OD1 3.03Å; R55-D72 IonicContact NH2-OD2 2.76Å; R55-D72 PolarHBondContact NH2-OD2 2.96Å; R55-D72 VanDerWaalsContact NH2-OD2 3.15Å; A68-D72 WeakPolarHBondContact CA-OD2 3.48Å; Q69-D72 PolarHBondContact N-OD2 2.83Å; Q69-D72 VanDerWaalsContact O-CB 3.27Å; Q69-D72 WeakPolarHBondContact O-CB 3.28Å; Q69-D72 PolarHBondContact O-N 2.81Å; L70-D72 VanDerWaalsContact C-N 3.26Å; L70-D72 PolarHBondContact O-N 2.88Å; D72-Y76 VanDerWaalsContact O-CE2 3.29Å; D72-Y76 WeakPolarHBondContact O-CE2 3.24Å; D72-Y76 PolarHBondContact O-OH 2.72Å; D72-L97 HydrophobicContact CB-CD2 4.37Å; D72-L97 WeakPolarHBondContact O-CD2 3.35Å; D72-V99 HydrophobicContact CB-CG2 4.44Å
73A75.3Confident71.5Confident33 Ų3339.8 Ų39.827%0.27324%0.235SC..  trans-68.4134.4-179.900000112.1Q41 L70 N71 L97 V99Q41-A73 PolarHBondContact NE2-O 2.75Å; L70-A73 WeakPolarHBondContact O-CB 3.39Å; L70-A73 PolarHBondContact O-N 3.23Å; N71-A73 PolarHBondContact O-N 2.74Å; A73-L97 CarbonylContact C-O 3.19Å; A73-L97 WeakPolarHBondContact CA-O 3.4Å; A73-L97 WeakPolarHBondContact CB-O 3.38Å; A73-V99 HydrophobicContact CB-CB 4.34Å; A73-V99 HydrophobicContact CB-CG2 4.14Å
74G73.8Confident70.9Confident16 Ų1645.2 Ų45.217%0.16527%0.272CS..EExtended strand (participates in β ladder)trans155.1-172.7-179.300000112.8Y76 L97G74-Y76 WeakPolarHBondContact O-CD2 3.17Å; G74-L97 PolarHBondContact N-O 3.15Å; G74-L97 PolarHBondContact O-N 3.36Å
75F73.6Confident70.3Confident122 Ų12243.7 Ų43.754%0.53527%0.27SS..EExtended strand (participates in β ladder)trans-85.1130.2178.6-68.8-81.8000111.3Q41 V95 E96Q41-F75 VanDerWaalsContact CA-O 3.32Å; Q41-F75 WeakPolarHBondContact CA-O 3.47Å; Q41-F75 PolarHBondContact N-O 3Å; F75-V95 CarbonylContact C-O 3.54Å; F75-V95 WeakPolarHBondContact CA-O 3.32Å; F75-E96 HydrophobicContact CD1-CB 3.99Å; F75-E96 HydrophobicContact CD1-CG 4.44Å; F75-E96 HydrophobicContact CE1-CB 3.68Å; F75-E96 HydrophobicContact CE1-CG 4.06Å; F75-E96 HydrophobicContact CZ-CB 4.22Å; F75-E96 HydrophobicContact CZ-CG 4.11Å
76Y73.3Confident69.6Low0 Ų050.7 Ų50.70%031%0.312CS..EExtended strand (participates in β ladder)trans-111.9128.9172.6-69.6-100.1000108.3T40 F52 L63 I65 D72 G74 S94 V95 L97T40-Y76 HydrophobicContact CG2-CD1 4.48Å; T40-Y76 HydrophobicContact CG2-CE1 4.42Å; F52-Y76 WeakPolarHBondContact CE1-OH 3.4Å; F52-Y76 AromaticContact CZ-CE1 3.96Å; F52-Y76 HydrophobicContact CZ-CE1 3.96Å; F52-Y76 WeakPolarHBondContact CZ-OH 3.43Å; L63-Y76 HydrophobicContact CD1-CD1 4.11Å; L63-Y76 HydrophobicContact CD1-CE1 4.47Å; I65-Y76 HydrophobicContact CD1-CE1 3.78Å; I65-Y76 WeakPolarHBondContact CD1-OH 3.49Å; D72-Y76 VanDerWaalsContact O-CE2 3.29Å; D72-Y76 WeakPolarHBondContact O-CE2 3.24Å; D72-Y76 PolarHBondContact O-OH 2.72Å; G74-Y76 WeakPolarHBondContact O-CD2 3.17Å; Y76-S94 CarbonylContact O-C 3.51Å; Y76-S94 WeakPolarHBondContact O-CA 3.29Å; Y76-V95 PolarHBondContact N-O 2.89Å; Y76-V95 PolarHBondContact O-N 2.79Å; Y76-L97 HydrophobicContact CD2-CB 3.86Å; Y76-L97 HydrophobicContact CE2-CB 3.65Å; Y76-L97 HydrophobicContact CE2-CD2 3.77Å; Y76-L97 HydrophobicContact CE2-CG 4.3Å
77T72.6Confident69.2Low29 Ų2953.1 Ų53.118%0.17834%0.338CS..EExtended strand (participates in β ladder)trans-119.1126.9-174.7-57.30000110.2W39 E79 Q93 S94W39-T77 PolarHBondContact N-O 2.64Å; W39-T77 PolarHBondContact O-N 3.23Å; T77-E79 HydrophobicContact CG2-CG 4.05Å; T77-Q93 WeakPolarHBondContact CA-O 3.45Å; T77-S94 PolarHBondContact OG1-OG 3.28Å
78V72.8Confident68.8Low0 Ų055.6 Ų55.60%034%0.342CS..EExtended strand (participates in β ladder)trans-96.7124.8170.2-177.50000107.7F15 M26 W28 L36 L38 S92 Q93F15-V78 HydrophobicContact CE1-CB 4.39Å; F15-V78 HydrophobicContact CE1-CG2 3.83Å; F15-V78 HydrophobicContact CZ-CG2 4.36Å; M26-V78 HydrophobicContact CE-CG2 3.67Å; M26-V78 HydrophobicContact SD-CG2 4.34Å; W28-V78 HydrophobicContact CD2-CG1 4.25Å; W28-V78 HydrophobicContact CD2-CG2 4.19Å; W28-V78 HydrophobicContact CE3-CG2 3.98Å; W28-V78 HydrophobicContact CG-CG1 4.39Å; W28-V78 HydrophobicContact CZ3-CG2 4.22Å; L36-V78 HydrophobicContact CD2-CG1 4.43Å; L38-V78 HydrophobicContact CD1-CG2 3.78Å; V78-S92 VanDerWaalsContact O-CA 3.27Å; V78-S92 WeakPolarHBondContact O-CA 3.44Å; V78-Q93 PolarHBondContact N-O 2.79Å; V78-Q93 PolarHBondContact O-N 3.22Å
79E72.9Confident68.4Low45 Ų4556.9 Ų56.921%0.2134%0.344CS..EExtended strand (participates in β ladder)trans-114.3133.1173.9-62.7-170.8164.100110.6A37 W39 T77 V89A37-E79 CarbonylContact C-O 3.57Å; A37-E79 PolarHBondContact N-O 2.88Å; A37-E79 CarbonylContact O-C 3.48Å; A37-E79 WeakPolarHBondContact O-CA 3.3Å; A37-E79 WeakPolarHBondContact O-CB 3.44Å; A37-E79 PolarHBondContact O-N 3.4Å; W39-E79 VanDerWaalsContact CD1-CD 3.48Å; W39-E79 PolarHBondContact NE1-OE2 3.38Å; T77-E79 HydrophobicContact CG2-CG 4.05Å; E79-V89 HydrophobicContact CB-CG1 4.16Å; E79-V89 HydrophobicContact CG-CG1 4.31Å
80V70.1Confident68Low0 Ų056.6 Ų56.60%034%0.342CS..EExtended strand (participates in β ladder)trans-94.8123174.1-178.60000108.2I13 Y30 D34 L36 K90 N91I13-V80 HydrophobicContact CD1-CG2 3.87Å; Y30-V80 HydrophobicContact CD1-CG1 3.86Å; Y30-V80 HydrophobicContact CD2-CG2 4.21Å; Y30-V80 HydrophobicContact CE1-CG1 3.45Å; Y30-V80 VanDerWaalsContact CE1-CG1 3.45Å; Y30-V80 HydrophobicContact CE2-CG1 4.37Å; Y30-V80 HydrophobicContact CE2-CG2 4.31Å; Y30-V80 HydrophobicContact CG-CG1 4.46Å; Y30-V80 HydrophobicContact CG-CG2 4.31Å; D34-V80 HydrophobicContact CB-CG1 4.24Å; L36-V80 HydrophobicContact CD2-CG2 3.97Å; V80-K90 HydrophobicContact CB-CB 4.3Å; V80-K90 HydrophobicContact CG1-CB 4.14Å; V80-K90 PolarHBondContact O-N 3.35Å; V80-N91 HydrophobicContact CB-CB 4.45Å; V80-N91 HydrophobicContact CG2-CB 4.39Å; V80-N91 PolarHBondContact N-O 3.06Å
81V69.2Low67.6Low26 Ų2654.5 Ų54.516%0.15833%0.331CS..EExtended strand (participates in β ladder)trans-119.5130.8-179.6-171.90000109.8T35 A37 T83T35-V81 PolarHBondContact N-O 3.3Å; T35-V81 VanDerWaalsContact N-O 3.08Å; T35-V81 PolarHBondContact O-N 2.77Å; T35-V81 VanDerWaalsContact O-N 3.11Å; A37-V81 HydrophobicContact CB-CG2 3.6Å; V81-T83 PolarHBondContact O-N 2.73Å
82P64.4Low67.4Low10 Ų1053.2 Ų53.27%0.06533%0.329CS..  trans-59.1137.1176.2-1118.7000112.4D34 S84 S85 L88 K90D34-P82 WeakPolarHBondContact OD1-CA 3.34Å; P82-S84 PolarHBondContact O-N 3.4Å; P82-S85 WeakPolarHBondContact CB-OG 3.35Å; P82-S85 VanDerWaalsContact CG-OG 3.31Å; P82-S85 WeakPolarHBondContact CG-OG 2.85Å; P82-S85 PolarHBondContact O-N 3.18Å; P82-L88 WeakPolarHBondContact CD-O 3.37Å; P82-L88 HydrophobicContact CG-CB 4.37Å; P82-K90 HydrophobicContact CB-CD 4.15Å; P82-K90 HydrophobicContact CG-CD 3.68Å; P82-K90 HydrophobicContact CG-CG 3.76Å
83T62.7Low67.2Low90 Ų9057 Ų5755%0.55235%0.346SS*.THydrogen-bonded Turntrans-61.7-28172.725.40000113G33 T35 V81G33-T83 WeakPolarHBondContact O-CG2 3.24Å; G33-T83 PolarHBondContact O-OG1 2.94Å; T35-T83 VanDerWaalsContact OG1-CG2 3.26Å; T35-T83 WeakPolarHBondContact OG1-CG2 3.44Å; V81-T83 PolarHBondContact O-N 2.73Å
84S61.1Low67Low113 Ų11358.4 Ų58.479%0.7936%0.355SS*.THydrogen-bonded Turntrans-94.9-4.7-174.559.10000115.1P82P82-S84 PolarHBondContact O-N 3.4Å
85S59.8Low66.8Low38 Ų3859 Ų5927%0.26636%0.355SS..SBendtrans-149.9102.5-179.661.70000110.8P82 G87P82-S85 WeakPolarHBondContact CB-OG 3.35Å; P82-S85 VanDerWaalsContact CG-OG 3.31Å; P82-S85 WeakPolarHBondContact CG-OG 2.85Å; P82-S85 PolarHBondContact O-N 3.18Å; S85-G87 PolarHBondContact O-N 2.95Å
86T58.4Low66.8Low146 Ų14658 Ų5890%0.89635%0.352SS*.THydrogen-bonded Turntrans-63.2120.4172.546.30000110.2
87G57.7Low66.7Low74 Ų7458.3 Ų58.376%0.76335%0.353SS*.THydrogen-bonded Turntrans107.2-4.7170.100000116.9S85S85-G87 PolarHBondContact O-N 2.95Å
88L61.1Low66.8Low116 Ų11661.7 Ų61.761%0.60737%0.365SS*.  trans-95.8114.6171.4-81.6155.2000109.5P82 K90P82-L88 WeakPolarHBondContact CD-O 3.37Å; P82-L88 HydrophobicContact CG-CB 4.37Å; L88-K90 PolarHBondContact O-N 2.93Å
89V61.4Low66.9Low71 Ų7162.9 Ų62.943%0.4337%0.373SS..  trans-77.9118.3171.4178.90000108.4E79 N91E79-V89 HydrophobicContact CB-CG1 4.16Å; E79-V89 HydrophobicContact CG-CG1 4.31Å; V89-N91 WeakPolarHBondContact CG1-O 3.35Å
90K63.1Low67.2Low84 Ų8462.2 Ų62.237%0.36537%0.369SS..  trans-75.8-40.3177.8-94.9172.5168.7177.60112.2T9 D34 V80 P82 L88T9-K90 HydrophobicContact CG2-CD 4.15Å; D34-K90 IonicContact OD1-NZ 2.78Å; D34-K90 PolarHBondContact OD1-NZ 3.45Å; D34-K90 IonicContact OD2-NZ 3.84Å; D34-K90 PolarHBondContact OD2-NZ 2.93Å; V80-K90 HydrophobicContact CB-CB 4.3Å; V80-K90 HydrophobicContact CG1-CB 4.14Å; V80-K90 PolarHBondContact O-N 3.35Å; P82-K90 HydrophobicContact CB-CD 4.15Å; P82-K90 HydrophobicContact CG-CD 3.68Å; P82-K90 HydrophobicContact CG-CG 3.76Å; L88-K90 PolarHBondContact O-N 2.93Å
91N66.1Low67.7Low49 Ų4965.4 Ų65.426%0.26239%0.387SS..EExtended strand (participates in β ladder)trans-157.9149.8178.5-159.4-1.2000108.9S11 I13 V80 V89S11-N91 PolarHBondContact O-ND2 2.83Å; I13-N91 HydrophobicContact CD1-CB 4.39Å; V80-N91 HydrophobicContact CB-CB 4.45Å; V80-N91 HydrophobicContact CG2-CB 4.39Å; V80-N91 PolarHBondContact N-O 3.06Å; V89-N91 WeakPolarHBondContact CG1-O 3.35Å
92S71.8Confident68.4Low56 Ų5667.5 Ų67.539%0.39240%0.4SS..EExtended strand (participates in β ladder)trans-139.5148.5172.963.50000110.7V78V78-S92 VanDerWaalsContact O-CA 3.27Å; V78-S92 WeakPolarHBondContact O-CA 3.44Å
93Q70.4Confident69.6Low78 Ų7867.2 Ų67.236%0.36440%0.398SS..EExtended strand (participates in β ladder)trans-146.3138174.9-173.675.1-32.300109.8I13 F15 T77 V78I13-Q93 HydrophobicContact CB-CB 4.07Å; I13-Q93 HydrophobicContact CD1-CB 4.13Å; I13-Q93 HydrophobicContact CG2-CB 4.42Å; F15-Q93 HydrophobicContact CD2-CG 4.05Å; F15-Q93 HydrophobicContact CE2-CB 3.91Å; F15-Q93 HydrophobicContact CE2-CG 3.09Å; F15-Q93 HydrophobicContact CZ-CB 3.61Å; F15-Q93 HydrophobicContact CZ-CG 3.37Å; T77-Q93 WeakPolarHBondContact CA-O 3.45Å; V78-Q93 PolarHBondContact N-O 2.79Å; V78-Q93 PolarHBondContact O-N 3.22Å
94S70.3Confident70.9Confident64 Ų6466.7 Ų66.745%0.44840%0.403SS..EExtended strand (participates in β ladder)trans-113.2142.9-179.1-58.80000112.2Y76 T77Y76-S94 CarbonylContact O-C 3.51Å; Y76-S94 WeakPolarHBondContact O-CA 3.29Å; T77-S94 PolarHBondContact OG1-OG 3.28Å
95V70.4Confident72.5Confident27 Ų2762.3 Ų62.316%0.16438%0.376CS..EExtended strand (participates in β ladder)trans-127.4140.9171.769.50000110.2F15 V17 M26 F75 Y76F15-V95 HydrophobicContact CD2-CB 4.27Å; F15-V95 HydrophobicContact CE2-CB 4.08Å; V17-V95 HydrophobicContact CG2-CG2 4.12Å; M26-V95 HydrophobicContact SD-CB 4.49Å; M26-V95 HydrophobicContact SD-CG1 3.38Å; M26-V95 WeakPolarHBondContact SD-CG1 3.3Å; F75-V95 CarbonylContact C-O 3.54Å; F75-V95 WeakPolarHBondContact CA-O 3.32Å; Y76-V95 PolarHBondContact N-O 2.89Å; Y76-V95 PolarHBondContact O-N 2.79Å
96E72.8Confident74.3Confident101 Ų10161.7 Ų61.747%0.47237%0.371SS..EExtended strand (participates in β ladder)trans-89.1119.8173.4-167.2-173.518000110F75 K98F75-E96 HydrophobicContact CD1-CB 3.99Å; F75-E96 HydrophobicContact CD1-CG 4.44Å; F75-E96 HydrophobicContact CE1-CB 3.68Å; F75-E96 HydrophobicContact CE1-CG 4.06Å; F75-E96 HydrophobicContact CZ-CB 4.22Å; F75-E96 HydrophobicContact CZ-CG 4.11Å; E96-K98 VanDerWaalsContact CD-CE 3.46Å; E96-K98 HydrophobicContact CG-CG 4.34Å; E96-K98 VanDerWaalsContact OE1-CE 3.24Å; E96-K98 WeakPolarHBondContact OE1-CE 3.28Å; E96-K98 WeakPolarHBondContact OE2-CE 3.48Å
97L72.8Confident76.2Confident7 Ų757.5 Ų57.54%0.03735%0.347CS..EExtended strand (participates in β ladder)trans-87.7118.2166.1173.252.9000108.9F24 I65 D72 A73 G74 Y76 V99F24-L97 HydrophobicContact CB-CD2 4.5Å; F24-L97 HydrophobicContact CD1-CD2 3.92Å; F24-L97 HydrophobicContact CD2-CD1 3.42Å; F24-L97 VanDerWaalsContact CD2-CD1 3.42Å; F24-L97 HydrophobicContact CD2-CD2 4.24Å; F24-L97 HydrophobicContact CD2-CG 4.38Å; F24-L97 HydrophobicContact CE1-CD2 4.13Å; F24-L97 HydrophobicContact CE2-CB 4.45Å; F24-L97 HydrophobicContact CE2-CD1 3.58Å; F24-L97 HydrophobicContact CE2-CD2 4.44Å; F24-L97 HydrophobicContact CE2-CG 4.37Å; F24-L97 HydrophobicContact CG-CD1 3.95Å; F24-L97 HydrophobicContact CG-CD2 3.96Å; F24-L97 HydrophobicContact CZ-CB 4.35Å; F24-L97 HydrophobicContact CZ-CD1 4.23Å; F24-L97 HydrophobicContact CZ-CD2 4.39Å; I65-L97 HydrophobicContact CD1-CD2 4.3Å; D72-L97 HydrophobicContact CB-CD2 4.37Å; D72-L97 WeakPolarHBondContact O-CD2 3.35Å; A73-L97 CarbonylContact C-O 3.19Å; A73-L97 WeakPolarHBondContact CA-O 3.4Å; A73-L97 WeakPolarHBondContact CB-O 3.38Å; G74-L97 PolarHBondContact N-O 3.15Å; G74-L97 PolarHBondContact O-N 3.36Å; Y76-L97 HydrophobicContact CD2-CB 3.86Å; Y76-L97 HydrophobicContact CE2-CB 3.65Å; Y76-L97 HydrophobicContact CE2-CD2 3.77Å; Y76-L97 HydrophobicContact CE2-CG 4.3Å; L97-V99 HydrophobicContact CD1-CG2 4.1Å; L97-V99 HydrophobicContact CD2-CG2 4.22Å; L97-V99 HydrophobicContact CG-CG2 3.89Å
98K73.1Confident78.2Confident100 Ų10054 Ų5444%0.43531%0.311SS..PPolyproline II helixtrans-101.6128.9167.3-63.1-170.2176.7-166.70109.9E96 F100E96-K98 VanDerWaalsContact CD-CE 3.46Å; E96-K98 HydrophobicContact CG-CG 4.34Å; E96-K98 VanDerWaalsContact OE1-CE 3.24Å; E96-K98 WeakPolarHBondContact OE1-CE 3.28Å; E96-K98 WeakPolarHBondContact OE2-CE 3.48Å; K98-F100 HydrophobicContact CB-CE2 3.75Å; K98-F100 HydrophobicContact CB-CZ 4.04Å; K98-F100 HydrophobicContact CD-CZ 4.35Å
99V75.4Confident79.9Confident26 Ų2651.7 Ų51.716%0.15830%0.302CS..  trans-115.7131.4177.1-173.30000108.5A68 Q69 L70 D72 A73 L97A68-V99 HydrophobicContact CB-CG1 4.4Å; Q69-V99 WeakPolarHBondContact O-CG1 3.15Å; L70-V99 HydrophobicContact CD2-CG1 4.45Å; L70-V99 WeakPolarHBondContact CD2-O 3.43Å; D72-V99 HydrophobicContact CB-CG2 4.44Å; A73-V99 HydrophobicContact CB-CB 4.34Å; A73-V99 HydrophobicContact CB-CG2 4.14Å; L97-V99 HydrophobicContact CD1-CG2 4.1Å; L97-V99 HydrophobicContact CD2-CG2 4.22Å; L97-V99 HydrophobicContact CG-CG2 3.89Å
100F78.8Confident81.5Confident31 Ų3149.3 Ų49.314%0.13629%0.287CS..  trans-114127.7-176.5-63.3-90.4000111.1K98 T130 E131 N175 N176 V177K98-F100 HydrophobicContact CB-CE2 3.75Å; K98-F100 HydrophobicContact CB-CZ 4.04Å; K98-F100 HydrophobicContact CD-CZ 4.35Å; F100-T130 WeakPolarHBondContact CA-OG1 3.2Å; F100-E131 HydrophobicContact CE1-CB 4.07Å; F100-E131 HydrophobicContact CE1-CG 4.29Å; F100-E131 WeakPolarHBondContact CE1-OE2 3.25Å; F100-N175 HydrophobicContact CD1-CB 4.32Å; F100-N176 HydrophobicContact CD2-CB 3.98Å; F100-N176 HydrophobicContact CE1-CB 4.39Å; F100-N176 HydrophobicContact CE2-CB 3.8Å; F100-N176 WeakPolarHBondContact CE2-ND2 3.41Å; F100-N176 HydrophobicContact CG-CB 4.39Å; F100-N176 HydrophobicContact CZ-CB 4.03Å; F100-N176 WeakPolarHBondContact CZ-ND2 3.28Å; F100-V177 HydrophobicContact CB-CB 4.43Å; F100-V177 HydrophobicContact CB-CG1 3.97Å; F100-V177 HydrophobicContact CB-CG2 3.58Å; F100-V177 HydrophobicContact CD2-CG1 4.22Å; F100-V177 HydrophobicContact CG-CG1 4.44Å
101D81Confident82.9Confident67 Ų6747.5 Ų47.536%0.35828%0.284SS..PPolyproline II helixtrans-69.1132.2161.6-172.239.2000108.8L70 G129 T130 N175L70-D101 HydrophobicContact CD1-CB 4.33Å; L70-D101 HydrophobicContact CD2-CB 4.22Å; D101-G129 VanDerWaalsContact O-CA 3.25Å; D101-G129 WeakPolarHBondContact O-CA 3.4Å; D101-G129 PolarHBondContact OD2-N 2.94Å; D101-T130 HydrophobicContact CB-CG2 3.93Å; D101-T130 PolarHBondContact N-OG1 2.88Å; D101-T130 PolarHBondContact O-N 2.78Å; D101-N175 PolarHBondContact O-ND2 3.26Å
102P83.3Confident83.5Confident69 Ų6951 Ų5145%0.44831%0.313SS..PPolyproline II helixtrans-71.3152.817728-36.1000112.8A104 G129 V177 S178P102-A104 PolarHBondContact O-N 3.31Å; P102-G129 PolarHBondContact O-N 2.87Å; P102-V177 HydrophobicContact CB-CG2 4.48Å; P102-S178 WeakPolarHBondContact CA-OG 3.15Å
103V89.9Confident84Confident4 Ų449.6 Ų49.62%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-68.9117.2171.5-177.60000108.7V106 W126 V132 A173 S178 Q180V103-V106 HydrophobicContact CG1-CG2 3.84Å; V103-W126 HydrophobicContact CG1-CB 4.2Å; V103-V132 HydrophobicContact CG2-CG1 3.98Å; V103-V132 HydrophobicContact CG2-CG2 3.83Å; V103-A173 HydrophobicContact CG1-CB 4.38Å; V103-S178 PolarHBondContact N-OG 3.17Å; V103-Q180 HydrophobicContact CB-CB 4.47Å; V103-Q180 HydrophobicContact CB-CG 4.1Å; V103-Q180 HydrophobicContact CG1-CB 3.95Å; V103-Q180 HydrophobicContact CG1-CG 3.95Å; V103-Q180 WeakPolarHBondContact O-CG 3.49Å
104A90.4Very high85.2Confident79 Ų7946.1 Ų46.165%0.65329%0.289SS*.EExtended strand (participates in β ladder)trans-84-30.4-175.800000112.8P102 T127P102-A104 PolarHBondContact O-N 3.31Å; A104-T127 WeakPolarHBondContact CB-O 3.4Å; A104-T127 PolarHBondContact N-O 3.07Å
105G94.8Very high86.4Confident21 Ų2145.2 Ų45.222%0.21628%0.281CS..EExtended strand (participates in β ladder)trans-167.6154.9178.900000112.7W126 T127G105-W126 CarbonylContact O-C 3.49Å; G105-W126 WeakPolarHBondContact O-CA 3.17Å; G105-W126 VanDerWaalsContact O-CB 3.31Å; G105-W126 WeakPolarHBondContact O-CB 3.41Å; G105-T127 PolarHBondContact N-OG1 2.79Å; G105-T127 PolarHBondContact O-N 3.25Å
106V98.3Very high87.6Confident26 Ų2645.7 Ų45.716%0.15828%0.281CS..EExtended strand (participates in β ladder)trans-131133.4178.6179.20000109.2V103 T125 W126 A173 Q180 S182V103-V106 HydrophobicContact CG1-CG2 3.84Å; V106-T125 WeakPolarHBondContact CA-O 3.42Å; V106-W126 HydrophobicContact CG2-CB 4.11Å; V106-A173 HydrophobicContact CG1-CB 4.42Å; V106-A173 HydrophobicContact CG2-CB 3.51Å; V106-Q180 HydrophobicContact CB-CB 4.29Å; V106-Q180 HydrophobicContact CG2-CB 3.45Å; V106-Q180 VanDerWaalsContact CG2-CB 3.45Å; V106-S182 WeakPolarHBondContact O-CB 3.3Å
107S98Very high88.6Confident57 Ų5746.6 Ų46.640%0.39929%0.285SS..EExtended strand (participates in β ladder)trans-126114.4177.4178.10000109.9T125S107-T125 PolarHBondContact N-O 3.22Å; S107-T125 PolarHBondContact O-N 3.33Å; S107-T125 PolarHBondContact O-OG1 3.31Å
108L98.2Very high89.6Confident0 Ų052.5 Ų52.50%031%0.311CS..EExtended strand (participates in β ladder)trans-87.2130.2170.4177.758.1000110.1V110 C124 W136 Y169 C171 S182 K184L108-V110 HydrophobicContact CD1-CG2 4.19Å; L108-V110 HydrophobicContact CD2-CG2 4.03Å; L108-V110 HydrophobicContact CG-CG2 3.81Å; L108-C124 HydrophobicContact CD1-CB 4.49Å; L108-W136 HydrophobicContact CD1-CH2 3.41Å; L108-W136 VanDerWaalsContact CD1-CH2 3.41Å; L108-W136 HydrophobicContact CD1-CZ3 3.36Å; L108-Y169 WeakPolarHBondContact CD2-O 3.46Å; L108-C171 HydrophobicContact CD1-CB 4.33Å; L108-S182 PolarHBondContact N-OG 3.05Å; L108-S182 VanDerWaalsContact N-OG 3.14Å; L108-K184 HydrophobicContact CD2-CB 3.98Å; L108-K184 HydrophobicContact CG-CB 4.31Å; L108-K184 WeakPolarHBondContact O-CD 3.46Å; L108-K184 WeakPolarHBondContact O-CE 3.19Å; L108-K184 PolarHBondContact O-NZ 2.88Å
109T97.9Very high90.7Very high68 Ų6853.5 Ų53.542%0.41732%0.321SS..EExtended strand (participates in β ladder)trans-111.1117172.8-53.30000108.6L122 S123T109-L122 WeakPolarHBondContact O-CA 3.33Å; T109-S123 WeakPolarHBondContact CB-OG 3.16Å; T109-S123 PolarHBondContact N-O 3.22Å; T109-S123 PolarHBondContact O-N 2.96Å
110V95.1Very high91.7Very high21 Ų2152.6 Ų52.613%0.12732%0.316CS..  trans-118.6135.5176.3-174.70000107.2L108 L122 K184 L186L108-V110 HydrophobicContact CD1-CG2 4.19Å; L108-V110 HydrophobicContact CD2-CG2 4.03Å; L108-V110 HydrophobicContact CG-CG2 3.81Å; V110-L122 HydrophobicContact CB-CG 4.45Å; V110-L122 HydrophobicContact CG1-CD2 4.15Å; V110-L122 HydrophobicContact CG1-CG 4.16Å; V110-L122 HydrophobicContact CG2-CD2 3.79Å; V110-L122 HydrophobicContact CG2-CG 4.1Å; V110-K184 HydrophobicContact CB-CB 4.27Å; V110-K184 HydrophobicContact CG2-CB 3.55Å; V110-K184 HydrophobicContact CG2-CD 4.24Å; V110-K184 HydrophobicContact CG2-CG 4.47Å; V110-L186 HydrophobicContact CG1-CB 3.84Å; V110-L186 HydrophobicContact CG1-CD1 3.61Å; V110-L186 HydrophobicContact CG1-CG 4.31Å
111P91.9Very high92.6Very high47 Ų4753.9 Ų53.931%0.30533%0.328SS..  trans-56145.2171.6-2637.1000110.8A113 V120 S121P111-A113 PolarHBondContact O-N 3.47Å; P111-A113 VanDerWaalsContact O-N 3.12Å; P111-V120 HydrophobicContact CB-CG2 4.49Å; P111-V120 HydrophobicContact CG-CG2 3.81Å; P111-S121 WeakPolarHBondContact CD-O 3.47Å; P111-S121 WeakPolarHBondContact CG-O 3.34Å
112S79.1Confident93.4Very high122 Ų12250.7 Ų50.785%0.85331%0.311SS*.SBendtrans-57.6-28.8178.251.40000112.6
113A82.8Confident94.1Very high27 Ų2748.7 Ų48.722%0.22330%0.299CS..  trans-157.6151.4165.500000112.3P111 Y189P111-A113 PolarHBondContact O-N 3.47Å; P111-A113 VanDerWaalsContact O-N 3.12Å; A113-Y189 HydrophobicContact CB-CD2 3.34Å; A113-Y189 HydrophobicContact CB-CE2 3.03Å; A113-Y189 HydrophobicContact CB-CG 4.26Å
114A94.4Very high94.5Very high5 Ų548.7 Ų48.74%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-100.1161.216300000110.4V120 L186 T187 V188 Y189A114-V120 HydrophobicContact CB-CB 3.87Å; A114-V120 HydrophobicContact CB-CG1 4.28Å; A114-V120 HydrophobicContact CB-CG2 3.79Å; A114-L186 HydrophobicContact CB-CD1 4.03Å; A114-T187 PolarHBondContact N-O 2.85Å; A114-V188 HydrophobicContact CB-CG2 4.2Å; A114-V188 CarbonylContact O-C 3.54Å; A114-V188 WeakPolarHBondContact O-CA 3.41Å; A114-Y189 PolarHBondContact O-N 3.28Å
115V95.1Very high94.8Very high45 Ų4548.5 Ų48.527%0.27329%0.29SS..EExtended strand (participates in β ladder)trans-118.6133.4174.2178.50000108.9Q117 K118 Y189 T262V115-Q117 PolarHBondContact O-N 2.84Å; V115-K118 HydrophobicContact CB-CB 4.25Å; V115-K118 HydrophobicContact CB-CG 3.87Å; V115-K118 HydrophobicContact CG1-CG 4Å; V115-K118 WeakPolarHBondContact O-CB 3.2Å; V115-K118 PolarHBondContact O-N 2.04Å; V115-Y189 CarbonylContact C-O 3.54Å; V115-Y189 WeakPolarHBondContact CA-O 3.45Å; V115-T262 HydrophobicContact CG1-CG2 3.82Å
116E95.4Very high95Very high36 Ų3651.4 Ų51.417%0.16829%0.294CS..THydrogen-bonded Turntrans-51.1137176.7-169.9179.7-148.400110.2K118 R163 V188 Y189 Y190 K193E116-K118 PolarHBondContact O-N 2.91Å; E116-R163 WeakPolarHBondContact OE1-CG 3.35Å; E116-R163 IonicContact OE1-CZ 3.85Å; E116-R163 IonicContact OE1-NE 2.96Å; E116-R163 PolarHBondContact OE1-NE 2.85Å; E116-R163 IonicContact OE1-NH2 3.84Å; E116-R163 IonicContact OE2-CZ 3.6Å; E116-R163 IonicContact OE2-NE 3.26Å; E116-R163 PolarHBondContact OE2-NE 2.96Å; E116-R163 IonicContact OE2-NH2 2.99Å; E116-R163 PolarHBondContact OE2-NH2 2.92Å; E116-V188 HydrophobicContact CB-CG1 4.44Å; E116-Y189 PolarHBondContact N-O 3.06Å; E116-Y190 WeakPolarHBondContact OE2-CB 3.38Å; E116-K193 IonicContact OE1-NZ 3.7Å
117Q94.4Very high94.9Very high121 Ų12154.5 Ų54.557%0.56531%0.313SS*.THydrogen-bonded Turntrans67.36.9-174.6-50.6-57-41.900116.3V115 A161V115-Q117 PolarHBondContact O-N 2.84Å; Q117-A161 PolarHBondContact N-O 2.91Å
118K94.8Very high94.6Very high130 Ų13053.7 Ų53.757%0.56531%0.314SS*.SBendtrans-104.9167.9171.2-57.7-60.4-176.3-179.70111.1V115 E116 A161V115-K118 HydrophobicContact CB-CB 4.25Å; V115-K118 HydrophobicContact CB-CG 3.87Å; V115-K118 HydrophobicContact CG1-CG 4Å; V115-K118 WeakPolarHBondContact O-CB 3.2Å; V115-K118 PolarHBondContact O-N 2.04Å; E116-K118 PolarHBondContact O-N 2.91Å; K118-A161 WeakPolarHBondContact O-CB 3.11Å; K118-A161 PolarHBondContact O-N 3.11Å
119N95.9Very high94Very high121 Ų12154.8 Ų54.865%0.64733%0.325SS*.  trans-77.8145.5172.563.5-15000110.3N159N119-N159 HydrophobicContact CB-CB 4.3Å
120V96.9Very high93.5Very high8 Ų853.5 Ų53.55%0.04832%0.317CS..EExtended strand (participates in β ladder)trans-135.1138.5168.963.50000108.7P111 A114 L122 V157 I158 A161 L186P111-V120 HydrophobicContact CB-CG2 4.49Å; P111-V120 HydrophobicContact CG-CG2 3.81Å; A114-V120 HydrophobicContact CB-CB 3.87Å; A114-V120 HydrophobicContact CB-CG1 4.28Å; A114-V120 HydrophobicContact CB-CG2 3.79Å; V120-L122 HydrophobicContact CG2-CD1 3.96Å; V120-V157 WeakPolarHBondContact O-CA 3.33Å; V120-I158 HydrophobicContact CG1-CB 3.71Å; V120-I158 HydrophobicContact CG1-CD1 4.25Å; V120-I158 HydrophobicContact CG1-CG1 4.28Å; V120-I158 PolarHBondContact N-O 2.85Å; V120-I158 PolarHBondContact O-N 3.22Å; V120-A161 HydrophobicContact CG1-CB 4.15Å; V120-L186 HydrophobicContact CG1-CD2 4.5Å; V120-L186 HydrophobicContact CG2-CD1 4.17Å; V120-L186 HydrophobicContact CG2-CD2 4.49Å
121S97.1Very high93.1Very high58 Ų5859 Ų5941%0.40634%0.342SS..EExtended strand (participates in β ladder)trans-125.8126.9178.2-1760000109.1P111 L156P111-S121 WeakPolarHBondContact CD-O 3.47Å; P111-S121 WeakPolarHBondContact CG-O 3.34Å; S121-L156 WeakPolarHBondContact CA-O 3.29Å
122L98.1Very high93.2Very high0 Ų058 Ų580%034%0.335CS..EExtended strand (participates in β ladder)trans-106.5139.6172.4-71.770000107.3T109 V110 V120 W136 F155 L156 Y169 L186T109-L122 WeakPolarHBondContact O-CA 3.33Å; V110-L122 HydrophobicContact CB-CG 4.45Å; V110-L122 HydrophobicContact CG1-CD2 4.15Å; V110-L122 HydrophobicContact CG1-CG 4.16Å; V110-L122 HydrophobicContact CG2-CD2 3.79Å; V110-L122 HydrophobicContact CG2-CG 4.1Å; V120-L122 HydrophobicContact CG2-CD1 3.96Å; L122-W136 HydrophobicContact CB-CH2 3.81Å; L122-W136 HydrophobicContact CB-CZ3 3.93Å; L122-W136 HydrophobicContact CD2-CZ3 4.22Å; L122-F155 WeakPolarHBondContact O-CA 3.48Å; L122-L156 HydrophobicContact CB-CB 4.34Å; L122-L156 HydrophobicContact CD2-CD2 4.33Å; L122-L156 PolarHBondContact N-O 3.39Å; L122-L156 PolarHBondContact O-N 2.84Å; L122-Y169 HydrophobicContact CD2-CD1 3.73Å; L122-Y169 HydrophobicContact CD2-CD2 4.1Å; L122-Y169 HydrophobicContact CD2-CE1 4.32Å; L122-Y169 HydrophobicContact CD2-CG 3.59Å; L122-L186 HydrophobicContact CD1-CD2 4.41Å
123S97.9Very high94Very high27 Ų2756 Ų5619%0.18932%0.318CS..EExtended strand (participates in β ladder)trans-123.6136.6177.367.30000111.2T109 G154T109-S123 WeakPolarHBondContact CB-OG 3.16Å; T109-S123 PolarHBondContact N-O 3.22Å; T109-S123 PolarHBondContact O-N 2.96Å; S123-G154 CarbonylContact C-O 3.52Å; S123-G154 WeakPolarHBondContact CA-O 3.39Å
124C97.9Very high94.6Very high4 Ų455.9 Ų55.93%0.02732%0.316CS..EExtended strand (participates in β ladder)trans-117.2118.9177.2-179.20000107.8L108 W126 W136 G154 C171L108-C124 HydrophobicContact CD1-CB 4.49Å; C124-W126 WeakPolarHBondContact O-CZ3 3.39Å; C124-W136 HydrophobicContact CB-CH2 3.74Å; C124-W136 HydrophobicContact CB-CZ2 3.5Å; C124-W136 VanDerWaalsContact CB-CZ2 3.5Å; C124-G154 PolarHBondContact N-O 3.37Å; C124-C171 HydrophobicContact CB-CB 3.53Å; C124-C171 WeakPolarHBondContact CB-SG 3.43Å; C124-C171 WeakPolarHBondContact SG-CB 3.19Å; C124-C171 CovalentContact SG-SG 2.01Å; C124-C171 PolarHBondContact SG-SG 3.02Å
125T97.8Very high94.7Very high75 Ų7561 Ų6146%0.4634%0.339SS..EExtended strand (participates in β ladder)trans-117.8153.8177.858.70000109.6V106 S107V106-T125 WeakPolarHBondContact CA-O 3.42Å; S107-T125 PolarHBondContact N-O 3.22Å; S107-T125 PolarHBondContact O-N 3.33Å; S107-T125 PolarHBondContact O-OG1 3.31Å
126W97.8Very high94.9Very high81 Ų8159.2 Ų59.231%0.30733%0.328SS..EExtended strand (participates in β ladder)trans-140.5158.1-179.952.788.5000111V103 G105 V106 C124 V132 A134 A173V103-W126 HydrophobicContact CG1-CB 4.2Å; G105-W126 CarbonylContact O-C 3.49Å; G105-W126 WeakPolarHBondContact O-CA 3.17Å; G105-W126 VanDerWaalsContact O-CB 3.31Å; G105-W126 WeakPolarHBondContact O-CB 3.41Å; V106-W126 HydrophobicContact CG2-CB 4.11Å; C124-W126 WeakPolarHBondContact O-CZ3 3.39Å; W126-V132 HydrophobicContact CD2-CG1 4.03Å; W126-V132 HydrophobicContact CG-CG1 4.14Å; W126-V132 HydrophobicContact CZ2-CB 4.3Å; W126-V132 HydrophobicContact CZ2-CG1 4.18Å; W126-A134 HydrophobicContact CH2-CB 4.18Å; W126-A134 HydrophobicContact CZ3-CB 3.88Å; W126-A173 HydrophobicContact CB-CB 4.04Å; W126-A173 HydrophobicContact CD2-CB 3.98Å; W126-A173 HydrophobicContact CE3-CB 3.86Å; W126-A173 HydrophobicContact CG-CB 4.09Å
127T96.6Very high95Very high91 Ų9161.4 Ų61.456%0.55834%0.337SS*.EExtended strand (participates in β ladder)trans-117.5145.4175.954.70000110.5A104 G105A104-T127 WeakPolarHBondContact CB-O 3.4Å; A104-T127 PolarHBondContact N-O 3.07Å; G105-T127 PolarHBondContact N-OG1 2.79Å; G105-T127 PolarHBondContact O-N 3.25Å
128G90.9Very high95.2Very high40 Ų4057.8 Ų57.841%0.41232%0.319SS..EExtended strand (participates in β ladder)trans63-171.4-169.700000112
129G86.7Confident95.3Very high23 Ų2355.4 Ų55.424%0.23731%0.312CS..  trans92.6144.317600000113.6D101 P102D101-G129 VanDerWaalsContact O-CA 3.25Å; D101-G129 WeakPolarHBondContact O-CA 3.4Å; D101-G129 PolarHBondContact OD2-N 2.94Å; P102-G129 PolarHBondContact O-N 2.87Å
130T86Confident95.3Very high41 Ų4154.2 Ų54.225%0.25231%0.314SS..SBendtrans-120.114417244.20000109.7L70 F100 D101 V132 N175L70-T130 HydrophobicContact CD2-CG2 3.99Å; F100-T130 WeakPolarHBondContact CA-OG1 3.2Å; D101-T130 HydrophobicContact CB-CG2 3.93Å; D101-T130 PolarHBondContact N-OG1 2.88Å; D101-T130 PolarHBondContact O-N 2.78Å; T130-V132 PolarHBondContact O-N 2.86Å; T130-V132 VanDerWaalsContact O-N 3.14Å; T130-N175 VanDerWaalsContact O-CB 3.28Å; T130-N175 WeakPolarHBondContact O-CB 3.45Å; T130-N175 PolarHBondContact O-ND2 3.48Å
131E88.5Confident95.3Very high137 Ų13758.5 Ų58.564%0.6434%0.34SS*.SBendtrans48.739-178-57.5-173.3174.700113.4F100F100-E131 HydrophobicContact CE1-CB 4.07Å; F100-E131 HydrophobicContact CE1-CG 4.29Å; F100-E131 WeakPolarHBondContact CE1-OE2 3.25Å
132V92.9Very high95.3Very high26 Ų2659 Ų5916%0.15835%0.348CS..  trans-73.5135.4-174.1-175.70000110.7V103 W126 T130 A173V103-V132 HydrophobicContact CG2-CG1 3.98Å; V103-V132 HydrophobicContact CG2-CG2 3.83Å; W126-V132 HydrophobicContact CD2-CG1 4.03Å; W126-V132 HydrophobicContact CG-CG1 4.14Å; W126-V132 HydrophobicContact CZ2-CB 4.3Å; W126-V132 HydrophobicContact CZ2-CG1 4.18Å; T130-V132 PolarHBondContact O-N 2.86Å; T130-V132 VanDerWaalsContact O-N 3.14Å; V132-A173 HydrophobicContact CG1-CB 3.79Å
133T95.3Very high95.3Very high81 Ų8160.3 Ų60.350%0.49735%0.354SS..EExtended strand (participates in β ladder)trans-116151.4172.458.10000110.4A173 S174T133-A173 CarbonylContact O-C 3.58Å; T133-A173 WeakPolarHBondContact O-CA 3.33Å; T133-S174 PolarHBondContact N-O 2.68Å; T133-S174 PolarHBondContact O-N 3.03Å; T133-S174 PolarHBondContact OG1-O 3.12Å
134A96.8Very high95.1Very high23 Ų2364.2 Ų64.219%0.1938%0.377CS..EExtended strand (participates in β ladder)trans-110.6135.9178.300000111W126 T172W126-A134 HydrophobicContact CH2-CB 4.18Å; W126-A134 HydrophobicContact CZ3-CB 3.88Å; A134-T172 CarbonylContact C-O 3.47Å; A134-T172 WeakPolarHBondContact CA-O 3.33Å
135Q96.8Very high95.1Very high112 Ų11267.8 Ų67.852%0.52340%0.4SS..EExtended strand (participates in β ladder)trans-122.1134.5175.1-63.1-176.2-0.700110.2C171 T172Q135-C171 CarbonylContact O-C 3.57Å; Q135-C171 WeakPolarHBondContact O-CA 3.5Å; Q135-T172 PolarHBondContact N-O 3.23Å; Q135-T172 PolarHBondContact O-N 2.81Å
136W98.2Very high95Very high9 Ų967.6 Ų67.63%0.03440%0.397CS..EExtended strand (participates in β ladder)trans-109.8137.3-175.7-69.290.3000111.8L108 L122 C124 I143 I151 G154 L156 S170 C171L108-W136 HydrophobicContact CD1-CH2 3.41Å; L108-W136 VanDerWaalsContact CD1-CH2 3.41Å; L108-W136 HydrophobicContact CD1-CZ3 3.36Å; L122-W136 HydrophobicContact CB-CH2 3.81Å; L122-W136 HydrophobicContact CB-CZ3 3.93Å; L122-W136 HydrophobicContact CD2-CZ3 4.22Å; C124-W136 HydrophobicContact CB-CH2 3.74Å; C124-W136 HydrophobicContact CB-CZ2 3.5Å; C124-W136 VanDerWaalsContact CB-CZ2 3.5Å; W136-I143 HydrophobicContact CB-CB 4.38Å; W136-I143 HydrophobicContact CB-CD1 4.1Å; W136-I143 HydrophobicContact CB-CG1 4.44Å; W136-I143 PolarHBondContact O-N 3.36Å; W136-I151 HydrophobicContact CB-CD1 4.29Å; W136-I151 HydrophobicContact CG-CD1 4.49Å; W136-G154 WeakPolarHBondContact CZ2-O 3.49Å; W136-L156 HydrophobicContact CD2-CB 3.85Å; W136-L156 HydrophobicContact CD2-CD2 4.22Å; W136-L156 HydrophobicContact CE3-CB 4.05Å; W136-L156 HydrophobicContact CE3-CD2 3.84Å; W136-L156 HydrophobicContact CG-CB 4.41Å; W136-L156 HydrophobicContact CH2-CB 4.07Å; W136-L156 HydrophobicContact CZ2-CB 3.9Å; W136-L156 HydrophobicContact CZ3-CB 4.14Å; W136-L156 HydrophobicContact CZ3-CD2 4.21Å; W136-S170 WeakPolarHBondContact CA-O 3.36Å; W136-C171 HydrophobicContact CD2-CB 4.29Å; W136-C171 HydrophobicContact CE3-CB 4.09Å; W136-C171 HydrophobicContact CH2-CB 4.23Å; W136-C171 HydrophobicContact CZ2-CB 4.4Å; W136-C171 HydrophobicContact CZ3-CB 4.08Å
137K98.1Very high94.9Very high82 Ų8269.8 Ų69.836%0.35742%0.424SS..EExtended strand (participates in β ladder)trans-131146.4170.1-58.3179174.7-178.10110.9T141 Y169 S170K137-T141 CarbonylContact C-O 3.58Å; K137-T141 WeakPolarHBondContact CA-O 3.48Å; K137-T141 WeakPolarHBondContact CB-O 3.34Å; K137-Y169 CarbonylContact O-C 3.57Å; K137-Y169 WeakPolarHBondContact O-CA 3.36Å; K137-S170 WeakPolarHBondContact CB-OG 3.23Å; K137-S170 PolarHBondContact N-O 3.28Å; K137-S170 PolarHBondContact O-N 3.09Å
138K97.7Very high94.9Very high44 Ų4466.7 Ų66.719%0.19140%0.402CS..EExtended strand (participates in β ladder)trans-115.8126.4167.2179.8-174.3-174.3-75.10108.2S140 T141 I143 D164 D165 A166 E168 Y169K138-S140 PolarHBondContact O-N 3.24Å; K138-T141 PolarHBondContact N-O 2.83Å; K138-T141 WeakPolarHBondContact O-CA 3.49Å; K138-T141 WeakPolarHBondContact O-CB 3.43Å; K138-T141 PolarHBondContact O-N 3.42Å; K138-I143 HydrophobicContact CB-CD1 3.93Å; K138-I143 HydrophobicContact CB-CG1 3.95Å; K138-D164 WeakPolarHBondContact CE-O 3.05Å; K138-D164 PolarHBondContact NZ-O 3.03Å; K138-D165 WeakPolarHBondContact CE-O 3.17Å; K138-A166 VanDerWaalsContact CE-O 3.22Å; K138-A166 WeakPolarHBondContact CE-O 3.42Å; K138-A166 PolarHBondContact NZ-O 3.39Å; K138-E168 CarbonylContact C-O 3.55Å; K138-E168 WeakPolarHBondContact CA-O 3.49Å; K138-Y169 HydrophobicContact CB-CD1 4.38Å; K138-Y169 HydrophobicContact CB-CE1 4.12Å; K138-Y169 HydrophobicContact CD-CE1 4.38Å; K138-Y169 HydrophobicContact CD-CE2 4.44Å; K138-Y169 HydrophobicContact CG-CE1 4.26Å; K138-Y169 HydrophobicContact CG-CE2 4.27Å
139D97.1Very high95.2Very high80 Ų8065.6 Ų65.643%0.42839%0.387SS..THydrogen-bonded Turntrans48.549.1179.5-52-44.6000111.4T141 E168D139-T141 PolarHBondContact O-N 2.88Å; D139-T141 VanDerWaalsContact O-N 3.11Å; D139-E168 PolarHBondContact N-O 2.9Å; D139-E168 PolarHBondContact OD1-N 2.91Å
140S95.8Very high95.8Very high97 Ų9768.6 Ų68.668%0.67840%0.4SS*.THydrogen-bonded Turntrans65.8-0.7-175.1-55.90000117.2K138K138-S140 PolarHBondContact O-N 3.24Å
141T97.6Very high96.3Very high98 Ų9869.2 Ų69.260%0.60140%0.402SS*.EExtended strand (participates in β ladder)trans-99.5133.2-179.7-55.60000111.3K137 K138 D139 I143K137-T141 CarbonylContact C-O 3.58Å; K137-T141 WeakPolarHBondContact CA-O 3.48Å; K137-T141 WeakPolarHBondContact CB-O 3.34Å; K138-T141 PolarHBondContact N-O 2.83Å; K138-T141 WeakPolarHBondContact O-CA 3.49Å; K138-T141 WeakPolarHBondContact O-CB 3.43Å; K138-T141 PolarHBondContact O-N 3.42Å; D139-T141 PolarHBondContact O-N 2.88Å; D139-T141 VanDerWaalsContact O-N 3.11Å; T141-I143 PolarHBondContact O-N 2.82Å
142A97.3Very high96.6Very high68 Ų6866.7 Ų66.756%0.56240%0.399SS*.EExtended strand (participates in β ladder)trans-60.1130.8177.400000111.3T144A142-T144 PolarHBondContact O-N 2.76Å
143I96.9Very high96.4Very high27 Ų2768.1 Ų68.114%0.13842%0.419CS..PPolyproline II helixtrans-80.8123178.7-57.9-179.5000108.5W136 K138 T141 I149 I151 L156 Y169W136-I143 HydrophobicContact CB-CB 4.38Å; W136-I143 HydrophobicContact CB-CD1 4.1Å; W136-I143 HydrophobicContact CB-CG1 4.44Å; W136-I143 PolarHBondContact O-N 3.36Å; K138-I143 HydrophobicContact CB-CD1 3.93Å; K138-I143 HydrophobicContact CB-CG1 3.95Å; T141-I143 PolarHBondContact O-N 2.82Å; I143-I149 HydrophobicContact CG2-CD1 4.29Å; I143-I149 HydrophobicContact CG2-CG2 3.78Å; I143-I151 HydrophobicContact CB-CD1 4.42Å; I143-I151 HydrophobicContact CG2-CD1 4.3Å; I143-L156 HydrophobicContact CD1-CD1 4.32Å; I143-L156 HydrophobicContact CD1-CD2 3.69Å; I143-L156 HydrophobicContact CG2-CD1 4.16Å; I143-Y169 HydrophobicContact CD1-CD1 3.79Å; I143-Y169 HydrophobicContact CD1-CE1 3.66Å
144T95.4Very high96.4Very high110 Ų11064.7 Ų64.768%0.67540%0.4SS*.PPolyproline II helixtrans-97.1126.3172.3-54.80000108.6A142A142-T144 PolarHBondContact O-N 2.76Å
145P96Very high96.4Very high78 Ų7869.1 Ų69.151%0.50642%0.415SS..PPolyproline II helixtrans-55.6141.7173.1-2635.2000112I149 I151P145-I149 VanDerWaalsContact CA-O 3.28Å; P145-I149 WeakPolarHBondContact CA-O 3.41Å; P145-I149 WeakPolarHBondContact CB-O 3.48Å; P145-I151 HydrophobicContact CG-CB 4.33Å; P145-I151 HydrophobicContact CG-CD1 4.04Å; P145-I151 HydrophobicContact CG-CG1 4.21Å
146D95.9Very high96.5Very high72 Ų7263.8 Ų63.839%0.38539%0.39SS..  trans-139.5-167.9177.874.512.5000109.9R148 I149D146-R148 PolarHBondContact O-N 2.82Å; D146-R148 VanDerWaalsContact O-N 3.15Å; D146-R148 WeakPolarHBondContact OD1-CA 3.27Å; D146-R148 WeakPolarHBondContact OD1-CB 3.16Å; D146-R148 PolarHBondContact OD1-N 2.82Å; D146-R148 IonicContact OD2-CZ 3.53Å; D146-R148 IonicContact OD2-NE 3.12Å; D146-R148 IonicContact OD2-NH2 3.9Å; D146-R148 PolarHBondContact OD2-NH2 2.82Å; D146-R148 VanDerWaalsContact OD2-NH2 3.12Å; D146-I149 PolarHBondContact N-O 2.96Å; D146-I149 PolarHBondContact O-N 2.84Å; D146-I149 PolarHBondContact OD1-N 3.3Å
147S96.4Very high96.5Very high126 Ų12665.8 Ų65.888%0.88140%0.404SS*.SBendtrans-63.8-16178.857.20000114.8
148R96.9Very high96.5Very high26 Ų2662 Ų6210%0.09839%0.387CS..SBendtrans-109.7-28177.5-58.1179.5-62.5110.613.8113.4D146 I158 N159 P160 R162 D165D146-R148 PolarHBondContact O-N 2.82Å; D146-R148 VanDerWaalsContact O-N 3.15Å; D146-R148 WeakPolarHBondContact OD1-CA 3.27Å; D146-R148 WeakPolarHBondContact OD1-CB 3.16Å; D146-R148 PolarHBondContact OD1-N 2.82Å; D146-R148 IonicContact OD2-CZ 3.53Å; D146-R148 IonicContact OD2-NE 3.12Å; D146-R148 IonicContact OD2-NH2 3.9Å; D146-R148 PolarHBondContact OD2-NH2 2.82Å; D146-R148 VanDerWaalsContact OD2-NH2 3.12Å; R148-I158 WeakPolarHBondContact O-CA 3.35Å; R148-N159 VanDerWaalsContact CA-O 3.25Å; R148-N159 WeakPolarHBondContact CA-O 3.41Å; R148-N159 VanDerWaalsContact CB-O 3.28Å; R148-N159 WeakPolarHBondContact CB-O 3.34Å; R148-N159 PolarHBondContact O-N 2.81Å; R148-P160 PolarHBondContact NH1-O 2.94Å; R148-R162 VanDerWaalsContact CD-CZ 3.49Å; R148-D165 IonicContact NH1-OD1 2.87Å; R148-D165 IonicContact NH1-OD2 3.15Å; R148-D165 PolarHBondContact NH1-OD2 3.18Å
149I97.9Very high96.5Very high18 Ų1864 Ų649%0.09240%0.4CS..EExtended strand (participates in β ladder)trans-105.4116-172.4-58.9179.4000109.2I143 P145 D146 L156 V157 I158I143-I149 HydrophobicContact CG2-CD1 4.29Å; I143-I149 HydrophobicContact CG2-CG2 3.78Å; P145-I149 VanDerWaalsContact CA-O 3.28Å; P145-I149 WeakPolarHBondContact CA-O 3.41Å; P145-I149 WeakPolarHBondContact CB-O 3.48Å; D146-I149 PolarHBondContact N-O 2.96Å; D146-I149 PolarHBondContact O-N 2.84Å; D146-I149 PolarHBondContact OD1-N 3.3Å; I149-L156 HydrophobicContact CG2-CD1 3.59Å; I149-V157 WeakPolarHBondContact CA-O 3.49Å; I149-I158 HydrophobicContact CG1-CG1 4.31Å; I149-I158 HydrophobicContact CG1-CG2 4.29Å
150T97.8Very high96.5Very high85 Ų8562 Ų6252%0.52139%0.392SS..EExtended strand (participates in β ladder)trans-115.2131.2176.1-53.60000109.8V157T150-V157 PolarHBondContact N-O 2.84Å; T150-V157 PolarHBondContact O-N 3.11Å
151I96.8Very high96.6Very high54 Ų5457.4 Ų57.428%0.27736%0.359SS..EExtended strand (participates in β ladder)trans-113.6126.3172.6-62175.1000108.2W136 I143 P145 F155 L156W136-I151 HydrophobicContact CB-CD1 4.29Å; W136-I151 HydrophobicContact CG-CD1 4.49Å; I143-I151 HydrophobicContact CB-CD1 4.42Å; I143-I151 HydrophobicContact CG2-CD1 4.3Å; P145-I151 HydrophobicContact CG-CB 4.33Å; P145-I151 HydrophobicContact CG-CD1 4.04Å; P145-I151 HydrophobicContact CG-CG1 4.21Å; I151-F155 WeakPolarHBondContact CA-O 3.22Å; I151-L156 HydrophobicContact CD1-CD1 3.98Å; I151-L156 HydrophobicContact CG1-CD1 3.49Å; I151-L156 VanDerWaalsContact CG1-CD1 3.49Å
152S94.3Very high96.5Very high85 Ų8558.6 Ų58.659%0.59435%0.353SS*.EExtended strand (participates in β ladder)trans-142.1109176-174.90000109.9G154 F155S152-G154 PolarHBondContact O-N 3.26Å; S152-F155 PolarHBondContact N-O 2.93Å; S152-F155 WeakPolarHBondContact O-CB 3.24Å; S152-F155 PolarHBondContact O-N 3.11Å
153G90.1Very high96.4Very high56 Ų5657.7 Ų57.758%0.57734%0.335SS*.THydrogen-bonded Turntrans53.8-125.3-172.400000111.7F155G153-F155 VanDerWaalsContact C-N 3.26Å; G153-F155 PolarHBondContact O-N 2.99Å
154G95.1Very high96.3Very high9 Ų963 Ų639%0.09336%0.363CS..THydrogen-bonded Turntrans-81.215.1175.900000115.1S123 C124 W136 S152S123-G154 CarbonylContact C-O 3.52Å; S123-G154 WeakPolarHBondContact CA-O 3.39Å; C124-G154 PolarHBondContact N-O 3.37Å; W136-G154 WeakPolarHBondContact CZ2-O 3.49Å; S152-G154 PolarHBondContact O-N 3.26Å
155F97.2Very high96.4Very high115 Ų11558.3 Ų58.350%0.50433%0.334SS..EExtended strand (participates in β ladder)trans-116.3136-179-63.1-85.3000112.3L122 I151 S152 G153L122-F155 WeakPolarHBondContact O-CA 3.48Å; I151-F155 WeakPolarHBondContact CA-O 3.22Å; S152-F155 PolarHBondContact N-O 2.93Å; S152-F155 WeakPolarHBondContact O-CB 3.24Å; S152-F155 PolarHBondContact O-N 3.11Å; G153-F155 VanDerWaalsContact C-N 3.26Å; G153-F155 PolarHBondContact O-N 2.99Å
156L98.1Very high96.4Very high0 Ų056.3 Ų56.30%032%0.324CS..EExtended strand (participates in β ladder)trans-120.2115.5171.1174.376.1000108.4S121 L122 W136 I143 I149 I151 Y169S121-L156 WeakPolarHBondContact CA-O 3.29Å; L122-L156 HydrophobicContact CB-CB 4.34Å; L122-L156 HydrophobicContact CD2-CD2 4.33Å; L122-L156 PolarHBondContact N-O 3.39Å; L122-L156 PolarHBondContact O-N 2.84Å; W136-L156 HydrophobicContact CD2-CB 3.85Å; W136-L156 HydrophobicContact CD2-CD2 4.22Å; W136-L156 HydrophobicContact CE3-CB 4.05Å; W136-L156 HydrophobicContact CE3-CD2 3.84Å; W136-L156 HydrophobicContact CG-CB 4.41Å; W136-L156 HydrophobicContact CH2-CB 4.07Å; W136-L156 HydrophobicContact CZ2-CB 3.9Å; W136-L156 HydrophobicContact CZ3-CB 4.14Å; W136-L156 HydrophobicContact CZ3-CD2 4.21Å; I143-L156 HydrophobicContact CD1-CD1 4.32Å; I143-L156 HydrophobicContact CD1-CD2 3.69Å; I143-L156 HydrophobicContact CG2-CD1 4.16Å; I149-L156 HydrophobicContact CG2-CD1 3.59Å; I151-L156 HydrophobicContact CD1-CD1 3.98Å; I151-L156 HydrophobicContact CG1-CD1 3.49Å; I151-L156 VanDerWaalsContact CG1-CD1 3.49Å; L156-Y169 HydrophobicContact CD2-CD1 3.73Å; L156-Y169 HydrophobicContact CD2-CE1 3.7Å
157V97.9Very high96.4Very high52 Ų5253.9 Ų53.932%0.31532%0.316SS..EExtended strand (participates in β ladder)trans-111.4129.1178.7-178.80000109.2V120 I149 T150V120-V157 WeakPolarHBondContact O-CA 3.33Å; I149-V157 WeakPolarHBondContact CA-O 3.49Å; T150-V157 PolarHBondContact N-O 2.84Å; T150-V157 PolarHBondContact O-N 3.11Å
158I98.3Very high96.5Very high1 Ų152.2 Ų52.21%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-117.5120.8174.8-50.3172.8000108.2V120 R148 I149 D165 Y169V120-I158 HydrophobicContact CG1-CB 3.71Å; V120-I158 HydrophobicContact CG1-CD1 4.25Å; V120-I158 HydrophobicContact CG1-CG1 4.28Å; V120-I158 PolarHBondContact N-O 2.85Å; V120-I158 PolarHBondContact O-N 3.22Å; R148-I158 WeakPolarHBondContact O-CA 3.35Å; I149-I158 HydrophobicContact CG1-CG1 4.31Å; I149-I158 HydrophobicContact CG1-CG2 4.29Å; I158-D165 HydrophobicContact CD1-CB 4.32Å; I158-D165 WeakPolarHBondContact CG2-OD2 3.42Å; I158-Y169 HydrophobicContact CD1-CE1 4.24Å; I158-Y169 WeakPolarHBondContact CD1-OH 3.37Å
159N97.2Very high96.5Very high87 Ų8751.1 Ų51.147%0.46529%0.291SS..SBendtrans-149.7117.6179.4-174.117.8000112.6N119 R148N119-N159 HydrophobicContact CB-CB 4.3Å; R148-N159 VanDerWaalsContact CA-O 3.25Å; R148-N159 WeakPolarHBondContact CA-O 3.41Å; R148-N159 VanDerWaalsContact CB-O 3.28Å; R148-N159 WeakPolarHBondContact CB-O 3.34Å; R148-N159 PolarHBondContact O-N 2.81Å
160P97.6Very high96.5Very high39 Ų3950.9 Ų50.925%0.25329%0.29SS..SBendcis-76.2150.2-7.227.3-32.5000112.9R148R148-P160 PolarHBondContact NH1-O 2.94Å
161A97.1Very high96.5Very high0 Ų046.9 Ų46.90%027%0.266CS..  trans-66.6141.216800000111.7Q117 K118 V120Q117-A161 PolarHBondContact N-O 2.91Å; K118-A161 WeakPolarHBondContact O-CB 3.11Å; K118-A161 PolarHBondContact O-N 3.11Å; V120-A161 HydrophobicContact CG1-CB 4.15Å
162R96.6Very high96.6Very high122 Ų12245.3 Ų45.346%0.4626%0.259SS..  trans-123.1160.8179-60.9178.6174172.7-3.7110.1R148 D164 D165R148-R162 VanDerWaalsContact CD-CZ 3.49Å; R162-D164 PolarHBondContact O-N 3.08Å; R162-D165 WeakPolarHBondContact CB-OD2 3.48Å; R162-D165 PolarHBondContact N-OD2 3.02Å; R162-D165 VanDerWaalsContact O-CB 3.29Å; R162-D165 WeakPolarHBondContact O-CB 3.29Å; R162-D165 PolarHBondContact O-N 2.89Å
163R94.9Very high96.8Very high50 Ų5041.2 Ų41.219%0.18923%0.23CC..G310 helixtrans-57.6-39.9179.3-57.6-179.1-169.4-152.6-17.5112.3E116 D165 A166 Y190 K193E116-R163 WeakPolarHBondContact OE1-CG 3.35Å; E116-R163 IonicContact OE1-CZ 3.85Å; E116-R163 IonicContact OE1-NE 2.96Å; E116-R163 PolarHBondContact OE1-NE 2.85Å; E116-R163 IonicContact OE1-NH2 3.84Å; E116-R163 IonicContact OE2-CZ 3.6Å; E116-R163 IonicContact OE2-NE 3.26Å; E116-R163 PolarHBondContact OE2-NE 2.96Å; E116-R163 IonicContact OE2-NH2 2.99Å; E116-R163 PolarHBondContact OE2-NH2 2.92Å; R163-D165 PolarHBondContact O-N 2.85Å; R163-A166 VanDerWaalsContact O-CB 3.24Å; R163-A166 WeakPolarHBondContact O-CB 3.41Å; R163-A166 PolarHBondContact O-N 3.49Å; R163-A166 VanDerWaalsContact O-N 3.09Å; R163-Y190 HydrophobicContact CG-CD1 3.77Å; R163-Y190 HydrophobicContact CG-CE1 4.23Å; R163-Y190 HydrophobicContact CG-CG 4.19Å; R163-K193 VanDerWaalsContact NH2-CG 3.33Å
164D95.5Very high97Very high137 Ų13739.5 Ų39.573%0.73321%0.209SC*.G310 helixtrans-75.2-7.7-179.3-52.6-26.1000112.9K138 R162 A166K138-D164 WeakPolarHBondContact CE-O 3.05Å; K138-D164 PolarHBondContact NZ-O 3.03Å; R162-D164 PolarHBondContact O-N 3.08Å; D164-A166 PolarHBondContact O-N 2.99Å
165D96.4Very high96.7Very high13 Ų1340 Ų407%0.0721%0.21CC..G310 helixtrans-75.4-11.1169.3-59.4-39.3000111K138 R148 I158 R162 R163 Y169 V188K138-D165 WeakPolarHBondContact CE-O 3.17Å; R148-D165 IonicContact NH1-OD1 2.87Å; R148-D165 IonicContact NH1-OD2 3.15Å; R148-D165 PolarHBondContact NH1-OD2 3.18Å; I158-D165 HydrophobicContact CD1-CB 4.32Å; I158-D165 WeakPolarHBondContact CG2-OD2 3.42Å; R162-D165 WeakPolarHBondContact CB-OD2 3.48Å; R162-D165 PolarHBondContact N-OD2 3.02Å; R162-D165 VanDerWaalsContact O-CB 3.29Å; R162-D165 WeakPolarHBondContact O-CB 3.29Å; R162-D165 PolarHBondContact O-N 2.89Å; R163-D165 PolarHBondContact O-N 2.85Å; D165-Y169 VanDerWaalsContact O-CE2 3.23Å; D165-Y169 WeakPolarHBondContact O-CE2 3.33Å; D165-Y169 PolarHBondContact O-OH 3.39Å; D165-V188 HydrophobicContact CB-CG2 4.43Å
166A96.4Very high96Very high36 Ų3640.8 Ų40.830%0.29822%0.219SC..  trans-64.8144.4168.600000110.6K138 R163 D164 L186 V188K138-A166 VanDerWaalsContact CE-O 3.22Å; K138-A166 WeakPolarHBondContact CE-O 3.42Å; K138-A166 PolarHBondContact NZ-O 3.39Å; R163-A166 VanDerWaalsContact O-CB 3.24Å; R163-A166 WeakPolarHBondContact O-CB 3.41Å; R163-A166 PolarHBondContact O-N 3.49Å; R163-A166 VanDerWaalsContact O-N 3.09Å; D164-A166 PolarHBondContact O-N 2.99Å; A166-L186 WeakPolarHBondContact CA-O 3.26Å; A166-V188 HydrophobicContact CB-CB 4.32Å; A166-V188 HydrophobicContact CB-CG2 4Å
167G96.3Very high95.1Very high21 Ų2144.8 Ų44.822%0.21624%0.243CC..EExtended strand (participates in β ladder)trans150.1-170.5-178.200000112.9S185 L186G167-S185 CarbonylContact O-C 3.57Å; G167-S185 WeakPolarHBondContact O-CA 3.42Å; G167-L186 PolarHBondContact N-O 2.63Å; G167-L186 VanDerWaalsContact N-O 3.11Å; G167-L186 PolarHBondContact O-N 3.47Å
168E97.6Very high94.6Very high91 Ų9143.2 Ų43.243%0.42524%0.235SC..EExtended strand (participates in β ladder)trans-92.5120.7178.5-172.8176.482.500110.5K138 D139 T183K138-E168 CarbonylContact C-O 3.55Å; K138-E168 WeakPolarHBondContact CA-O 3.49Å; D139-E168 PolarHBondContact N-O 2.9Å; D139-E168 PolarHBondContact OD1-N 2.91Å; E168-T183 HydrophobicContact CG-CG2 3.2Å; E168-T183 WeakPolarHBondContact OE1-CG2 3.37Å
169Y97.9Very high94.4Very high3 Ų346.2 Ų46.21%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-101.6135.4175.8-72.7-100.5000109.4L108 L122 K137 K138 I143 L156 I158 D165 T183 K184 L186L108-Y169 WeakPolarHBondContact CD2-O 3.46Å; L122-Y169 HydrophobicContact CD2-CD1 3.73Å; L122-Y169 HydrophobicContact CD2-CD2 4.1Å; L122-Y169 HydrophobicContact CD2-CE1 4.32Å; L122-Y169 HydrophobicContact CD2-CG 3.59Å; K137-Y169 CarbonylContact O-C 3.57Å; K137-Y169 WeakPolarHBondContact O-CA 3.36Å; K138-Y169 HydrophobicContact CB-CD1 4.38Å; K138-Y169 HydrophobicContact CB-CE1 4.12Å; K138-Y169 HydrophobicContact CD-CE1 4.38Å; K138-Y169 HydrophobicContact CD-CE2 4.44Å; K138-Y169 HydrophobicContact CG-CE1 4.26Å; K138-Y169 HydrophobicContact CG-CE2 4.27Å; I143-Y169 HydrophobicContact CD1-CD1 3.79Å; I143-Y169 HydrophobicContact CD1-CE1 3.66Å; L156-Y169 HydrophobicContact CD2-CD1 3.73Å; L156-Y169 HydrophobicContact CD2-CE1 3.7Å; I158-Y169 HydrophobicContact CD1-CE1 4.24Å; I158-Y169 WeakPolarHBondContact CD1-OH 3.37Å; D165-Y169 VanDerWaalsContact O-CE2 3.23Å; D165-Y169 WeakPolarHBondContact O-CE2 3.33Å; D165-Y169 PolarHBondContact O-OH 3.39Å; Y169-T183 CarbonylContact O-C 3.57Å; Y169-T183 VanDerWaalsContact O-CA 3.3Å; Y169-T183 WeakPolarHBondContact O-CA 3.19Å; Y169-K184 PolarHBondContact N-O 3.47Å; Y169-K184 PolarHBondContact O-N 2.99Å; Y169-K184 VanDerWaalsContact O-O 3.13Å; Y169-L186 HydrophobicContact CD2-CB 3.78Å; Y169-L186 HydrophobicContact CE2-CB 3.66Å; Y169-L186 HydrophobicContact CE2-CD2 3.82Å; Y169-L186 HydrophobicContact CE2-CG 4.38Å
170S98.1Very high94.4Very high13 Ų1346.3 Ų46.39%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-123139.1169.1560000110.5W136 K137 S182 T183W136-S170 WeakPolarHBondContact CA-O 3.36Å; K137-S170 WeakPolarHBondContact CB-OG 3.23Å; K137-S170 PolarHBondContact N-O 3.28Å; K137-S170 PolarHBondContact O-N 3.09Å; S170-S182 VanDerWaalsContact CA-O 3.3Å; S170-S182 WeakPolarHBondContact CA-O 3.3Å; S170-T183 WeakPolarHBondContact CB-OG1 2.97Å
171C98.2Very high94.4Very high0 Ų048 Ų480%027%0.267CS..EExtended strand (participates in β ladder)trans-115.1126.7168.8173.70000108.6L108 C124 Q135 W136 T181 S182L108-C171 HydrophobicContact CD1-CB 4.33Å; C124-C171 HydrophobicContact CB-CB 3.53Å; C124-C171 WeakPolarHBondContact CB-SG 3.43Å; C124-C171 WeakPolarHBondContact SG-CB 3.19Å; C124-C171 CovalentContact SG-SG 2.01Å; C124-C171 PolarHBondContact SG-SG 3.02Å; Q135-C171 CarbonylContact O-C 3.57Å; Q135-C171 WeakPolarHBondContact O-CA 3.5Å; W136-C171 HydrophobicContact CD2-CB 4.29Å; W136-C171 HydrophobicContact CE3-CB 4.09Å; W136-C171 HydrophobicContact CH2-CB 4.23Å; W136-C171 HydrophobicContact CZ2-CB 4.4Å; W136-C171 HydrophobicContact CZ3-CB 4.08Å; C171-T181 WeakPolarHBondContact O-CA 3.5Å; C171-S182 PolarHBondContact N-O 2.99Å; C171-S182 PolarHBondContact O-N 3.36Å
172T98Very high94.5Very high21 Ų2149.1 Ų49.113%0.12928%0.275CS..EExtended strand (participates in β ladder)trans-107.2116.5172.6-56.90000108.6A134 Q135 A179 Q180 T181A134-T172 CarbonylContact C-O 3.47Å; A134-T172 WeakPolarHBondContact CA-O 3.33Å; Q135-T172 PolarHBondContact N-O 3.23Å; Q135-T172 PolarHBondContact O-N 2.81Å; T172-A179 HydrophobicContact CG2-CB 4.24Å; T172-Q180 CarbonylContact C-O 3.58Å; T172-Q180 VanDerWaalsContact CA-O 3.27Å; T172-Q180 WeakPolarHBondContact CA-O 3.25Å; T172-T181 WeakPolarHBondContact CG2-OG1 3.46Å; T172-T181 WeakPolarHBondContact OG1-CG2 3.36Å; T172-T181 PolarHBondContact OG1-OG1 3.44Å
173A98.1Very high94.6Very high0 Ų046.3 Ų46.30%027%0.271CS..EExtended strand (participates in β ladder)trans-96.6126.9170.300000108.6V103 V106 W126 V132 T133 Q180V103-A173 HydrophobicContact CG1-CB 4.38Å; V106-A173 HydrophobicContact CG1-CB 4.42Å; V106-A173 HydrophobicContact CG2-CB 3.51Å; W126-A173 HydrophobicContact CB-CB 4.04Å; W126-A173 HydrophobicContact CD2-CB 3.98Å; W126-A173 HydrophobicContact CE3-CB 3.86Å; W126-A173 HydrophobicContact CG-CB 4.09Å; V132-A173 HydrophobicContact CG1-CB 3.79Å; T133-A173 CarbonylContact O-C 3.58Å; T133-A173 WeakPolarHBondContact O-CA 3.33Å; A173-Q180 PolarHBondContact N-O 2.89Å; A173-Q180 PolarHBondContact O-N 2.78Å
174S95.3Very high94.7Very high19 Ų1948.4 Ų48.413%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-147153.5-172.657.30000113.4T133 S178T133-S174 PolarHBondContact N-O 2.68Å; T133-S174 PolarHBondContact O-N 3.03Å; T133-S174 PolarHBondContact OG1-O 3.12Å; S174-S178 CarbonylContact C-O 3.52Å; S174-S178 VanDerWaalsContact CA-O 3.24Å; S174-S178 WeakPolarHBondContact CA-O 3.28Å; S174-S178 WeakPolarHBondContact CB-O 3.34Å
175N87.5Confident94.7Very high20 Ų2045.8 Ų45.811%0.10727%0.274CS..EExtended strand (participates in β ladder)trans-134.2-169.616566.47000109.7F100 D101 T130 V177 S178F100-N175 HydrophobicContact CD1-CB 4.32Å; D101-N175 PolarHBondContact O-ND2 3.26Å; T130-N175 VanDerWaalsContact O-CB 3.28Å; T130-N175 WeakPolarHBondContact O-CB 3.45Å; T130-N175 PolarHBondContact O-ND2 3.48Å; N175-V177 PolarHBondContact O-N 2.72Å; N175-V177 VanDerWaalsContact O-N 3.08Å; N175-V177 WeakPolarHBondContact OD1-CG2 3.4Å; N175-V177 PolarHBondContact OD1-N 2.91Å; N175-S178 PolarHBondContact N-O 2.86Å; N175-S178 VanDerWaalsContact O-O 3.13Å; N175-S178 PolarHBondContact OD1-N 2.83Å; N175-S178 PolarHBondContact OD1-O 2.83Å; N175-S178 PolarHBondContact OD1-OG 2.83Å
176N82.9Confident94.8Very high132 Ų13245.3 Ų45.371%0.70627%0.272SS*.THydrogen-bonded Turntrans-66.1-12.4-174-71.4-14.4000115.1F100F100-N176 HydrophobicContact CD2-CB 3.98Å; F100-N176 HydrophobicContact CE1-CB 4.39Å; F100-N176 HydrophobicContact CE2-CB 3.8Å; F100-N176 WeakPolarHBondContact CE2-ND2 3.41Å; F100-N176 HydrophobicContact CG-CB 4.39Å; F100-N176 HydrophobicContact CZ-CB 4.03Å; F100-N176 WeakPolarHBondContact CZ-ND2 3.28Å
177V79.9Confident94.8Very high83 Ų8346.4 Ų46.450%0.50328%0.275SS..THydrogen-bonded Turntrans-121.2-11.9-175.5-59.80000113.6F100 P102 N175F100-V177 HydrophobicContact CB-CB 4.43Å; F100-V177 HydrophobicContact CB-CG1 3.97Å; F100-V177 HydrophobicContact CB-CG2 3.58Å; F100-V177 HydrophobicContact CD2-CG1 4.22Å; F100-V177 HydrophobicContact CG-CG1 4.44Å; P102-V177 HydrophobicContact CB-CG2 4.48Å; N175-V177 PolarHBondContact O-N 2.72Å; N175-V177 VanDerWaalsContact O-N 3.08Å; N175-V177 WeakPolarHBondContact OD1-CG2 3.4Å; N175-V177 PolarHBondContact OD1-N 2.91Å
178S86.6Confident94.8Very high20 Ų2045.5 Ų45.514%0.1427%0.265CS..EExtended strand (participates in β ladder)trans-154.6150.4-17465.40000112.4P102 V103 S174 N175P102-S178 WeakPolarHBondContact CA-OG 3.15Å; V103-S178 PolarHBondContact N-OG 3.17Å; S174-S178 CarbonylContact C-O 3.52Å; S174-S178 VanDerWaalsContact CA-O 3.24Å; S174-S178 WeakPolarHBondContact CA-O 3.28Å; S174-S178 WeakPolarHBondContact CB-O 3.34Å; N175-S178 PolarHBondContact N-O 2.86Å; N175-S178 VanDerWaalsContact O-O 3.13Å; N175-S178 PolarHBondContact OD1-N 2.83Å; N175-S178 PolarHBondContact OD1-O 2.83Å; N175-S178 PolarHBondContact OD1-OG 2.83Å
179A94.4Very high94.7Very high63 Ų6344 Ų4452%0.52126%0.256SS..EExtended strand (participates in β ladder)trans-141.5131.7171.600000109T172T172-A179 HydrophobicContact CG2-CB 4.24Å
180Q96.9Very high94.6Very high89 Ų8946.1 Ų46.142%0.41626%0.264SS..EExtended strand (participates in β ladder)trans-130142.4178.2-69.7-64.9-21.400109V103 V106 T172 A173V103-Q180 HydrophobicContact CB-CB 4.47Å; V103-Q180 HydrophobicContact CB-CG 4.1Å; V103-Q180 HydrophobicContact CG1-CB 3.95Å; V103-Q180 HydrophobicContact CG1-CG 3.95Å; V103-Q180 WeakPolarHBondContact O-CG 3.49Å; V106-Q180 HydrophobicContact CB-CB 4.29Å; V106-Q180 HydrophobicContact CG2-CB 3.45Å; V106-Q180 VanDerWaalsContact CG2-CB 3.45Å; T172-Q180 CarbonylContact C-O 3.58Å; T172-Q180 VanDerWaalsContact CA-O 3.27Å; T172-Q180 WeakPolarHBondContact CA-O 3.25Å; A173-Q180 PolarHBondContact N-O 2.89Å; A173-Q180 PolarHBondContact O-N 2.78Å
181T98.3Very high94.5Very high76 Ų7647.4 Ų47.447%0.46627%0.273SS..EExtended strand (participates in β ladder)trans-126.5138.5-174.4-55.60000110.7C171 T172C171-T181 WeakPolarHBondContact O-CA 3.5Å; T172-T181 WeakPolarHBondContact CG2-OG1 3.46Å; T172-T181 WeakPolarHBondContact OG1-CG2 3.36Å; T172-T181 PolarHBondContact OG1-OG1 3.44Å
182S98.4Very high94.2Very high23 Ų2347.7 Ų47.716%0.16128%0.275CS..EExtended strand (participates in β ladder)trans-125.9139.1171.2-168.70000109.8V106 L108 S170 C171V106-S182 WeakPolarHBondContact O-CB 3.3Å; L108-S182 PolarHBondContact N-OG 3.05Å; L108-S182 VanDerWaalsContact N-OG 3.14Å; S170-S182 VanDerWaalsContact CA-O 3.3Å; S170-S182 WeakPolarHBondContact CA-O 3.3Å; C171-S182 PolarHBondContact N-O 2.99Å; C171-S182 PolarHBondContact O-N 3.36Å
183T98.1Very high93.6Very high63 Ų6353.2 Ų53.239%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-130.6135.8-170.4-57.40000110.7E168 Y169 S170E168-T183 HydrophobicContact CG-CG2 3.2Å; E168-T183 WeakPolarHBondContact OE1-CG2 3.37Å; Y169-T183 CarbonylContact O-C 3.57Å; Y169-T183 VanDerWaalsContact O-CA 3.3Å; Y169-T183 WeakPolarHBondContact O-CA 3.19Å; S170-T183 WeakPolarHBondContact CB-OG1 2.97Å
184K97.6Very high92.9Very high93 Ų9359.6 Ų59.640%0.40433%0.325SS..EExtended strand (participates in β ladder)trans-152149.6176.8-76-167.4179.4168.80111.4L108 V110 Y169L108-K184 HydrophobicContact CD2-CB 3.98Å; L108-K184 HydrophobicContact CG-CB 4.31Å; L108-K184 WeakPolarHBondContact O-CD 3.46Å; L108-K184 WeakPolarHBondContact O-CE 3.19Å; L108-K184 PolarHBondContact O-NZ 2.88Å; V110-K184 HydrophobicContact CB-CB 4.27Å; V110-K184 HydrophobicContact CG2-CB 3.55Å; V110-K184 HydrophobicContact CG2-CD 4.24Å; V110-K184 HydrophobicContact CG2-CG 4.47Å; Y169-K184 PolarHBondContact N-O 3.47Å; Y169-K184 PolarHBondContact O-N 2.99Å; Y169-K184 VanDerWaalsContact O-O 3.13Å
185S96.6Very high92.4Very high83 Ų8358.7 Ų58.758%0.5832%0.319SS*.EExtended strand (participates in β ladder)trans-88.3142.1177.5-46.60000112.5G167G167-S185 CarbonylContact O-C 3.57Å; G167-S185 WeakPolarHBondContact O-CA 3.42Å
186L96.6Very high92Very high3 Ų360.7 Ų60.72%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-108.4128.7169.7178.666.5000109.5V110 A114 V120 L122 A166 G167 Y169 V188V110-L186 HydrophobicContact CG1-CB 3.84Å; V110-L186 HydrophobicContact CG1-CD1 3.61Å; V110-L186 HydrophobicContact CG1-CG 4.31Å; A114-L186 HydrophobicContact CB-CD1 4.03Å; V120-L186 HydrophobicContact CG1-CD2 4.5Å; V120-L186 HydrophobicContact CG2-CD1 4.17Å; V120-L186 HydrophobicContact CG2-CD2 4.49Å; L122-L186 HydrophobicContact CD1-CD2 4.41Å; A166-L186 WeakPolarHBondContact CA-O 3.26Å; G167-L186 PolarHBondContact N-O 2.63Å; G167-L186 VanDerWaalsContact N-O 3.11Å; G167-L186 PolarHBondContact O-N 3.47Å; Y169-L186 HydrophobicContact CD2-CB 3.78Å; Y169-L186 HydrophobicContact CE2-CB 3.66Å; Y169-L186 HydrophobicContact CE2-CD2 3.82Å; Y169-L186 HydrophobicContact CE2-CG 4.38Å; L186-V188 HydrophobicContact CD2-CG2 4.37Å; L186-V188 HydrophobicContact CG-CG2 4.41Å
187T96.5Very high91.3Very high59 Ų5956.2 Ų56.236%0.36232%0.317SS..  trans-101.8136.4168.3-60.30000109.8A114 Y189 L216A114-T187 PolarHBondContact N-O 2.85Å; T187-Y189 HydrophobicContact CG2-CD1 3.95Å; T187-Y189 HydrophobicContact CG2-CE1 3.65Å; T187-L216 HydrophobicContact CG2-CD2 3.95Å
188V97.2Very high90.6Very high2 Ų254 Ų541%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-112.4109.9175.8-175.30000109.5A114 E116 D165 A166 L186 Y190A114-V188 HydrophobicContact CB-CG2 4.2Å; A114-V188 CarbonylContact O-C 3.54Å; A114-V188 WeakPolarHBondContact O-CA 3.41Å; E116-V188 HydrophobicContact CB-CG1 4.44Å; D165-V188 HydrophobicContact CB-CG2 4.43Å; A166-V188 HydrophobicContact CB-CB 4.32Å; A166-V188 HydrophobicContact CB-CG2 4Å; L186-V188 HydrophobicContact CD2-CG2 4.37Å; L186-V188 HydrophobicContact CG-CG2 4.41Å; V188-Y190 WeakPolarHBondContact O-CD1 3.35Å
189Y96.3Very high89.4Confident58 Ų5855.4 Ų55.423%0.22733%0.328CS..EExtended strand (participates in β ladder)trans-78143.3174.6-63.9-37.6000111.7A113 A114 V115 E116 T187 L216 P217 V261A113-Y189 HydrophobicContact CB-CD2 3.34Å; A113-Y189 HydrophobicContact CB-CE2 3.03Å; A113-Y189 HydrophobicContact CB-CG 4.26Å; A114-Y189 PolarHBondContact O-N 3.28Å; V115-Y189 CarbonylContact C-O 3.54Å; V115-Y189 WeakPolarHBondContact CA-O 3.45Å; E116-Y189 PolarHBondContact N-O 3.06Å; T187-Y189 HydrophobicContact CG2-CD1 3.95Å; T187-Y189 HydrophobicContact CG2-CE1 3.65Å; Y189-L216 CarbonylContact C-O 3.51Å; Y189-L216 VanDerWaalsContact CA-O 3.29Å; Y189-L216 WeakPolarHBondContact CA-O 3.15Å; Y189-L216 WeakPolarHBondContact CB-O 3.32Å; Y189-L216 HydrophobicContact CD1-CD2 4.32Å; Y189-L216 HydrophobicContact CD1-CG 4.07Å; Y189-P217 HydrophobicContact CD1-CG 4.12Å; Y189-P217 HydrophobicContact CE1-CG 3.89Å; Y189-V261 HydrophobicContact CD2-CB 3.95Å; Y189-V261 HydrophobicContact CD2-CG1 3.38Å; Y189-V261 HydrophobicContact CD2-CG2 4.14Å; Y189-V261 HydrophobicContact CE2-CB 4.32Å; Y189-V261 HydrophobicContact CE2-CG1 3.78Å; Y189-V261 HydrophobicContact CE2-CG2 4.02Å; Y189-V261 HydrophobicContact CG-CB 4.43Å; Y189-V261 HydrophobicContact CG-CG1 4.23Å
190Y95.8Very high87.2Confident48 Ų4859.3 Ų59.319%0.18834%0.341CS..BIsolated β-bridgetrans-143.2141-179.353.8-94.8000111.7E116 R163 V188 S215 L216 N259E116-Y190 WeakPolarHBondContact OE2-CB 3.38Å; R163-Y190 HydrophobicContact CG-CD1 3.77Å; R163-Y190 HydrophobicContact CG-CE1 4.23Å; R163-Y190 HydrophobicContact CG-CG 4.19Å; V188-Y190 WeakPolarHBondContact O-CD1 3.35Å; Y190-S215 PolarHBondContact O-OG 3Å; Y190-L216 HydrophobicContact CD1-CB 3.76Å; Y190-L216 HydrophobicContact CD2-CB 4.46Å; Y190-L216 HydrophobicContact CE1-CB 3.31Å; Y190-L216 HydrophobicContact CE1-CD2 4.14Å; Y190-L216 HydrophobicContact CE1-CG 4.36Å; Y190-L216 HydrophobicContact CE2-CB 4.1Å; Y190-L216 HydrophobicContact CG-CB 4.31Å; Y190-L216 VanDerWaalsContact CZ-CB 3.49Å; Y190-L216 PolarHBondContact N-O 2.75Å; Y190-L216 PolarHBondContact O-N 3.14Å; Y190-L216 VanDerWaalsContact O-N 3.08Å; Y190-N259 PolarHBondContact O-ND2 2.78Å
191S94.9Very high85.3Confident40 Ų4059.1 Ų59.128%0.2835%0.345SS..  trans-66161.8177.1-57.60000112.1K193 T262S191-K193 PolarHBondContact O-N 3.45Å; S191-K193 VanDerWaalsContact O-N 3.11Å; S191-T262 WeakPolarHBondContact CA-OG1 3.43Å; S191-T262 VanDerWaalsContact OG-CB 3.26Å; S191-T262 WeakPolarHBondContact OG-CB 3.48Å; S191-T262 PolarHBondContact OG-OG1 2.9Å
192P92.9Very high83.1Confident7 Ų761.4 Ų61.45%0.04535%0.354CS..  trans-58.6115173.2-20.335.6000109.3S213 T214 A219 A257 N259 G264 S266P192-S213 WeakPolarHBondContact CA-OG 3.48Å; P192-S213 WeakPolarHBondContact CB-OG 3.35Å; P192-T214 WeakPolarHBondContact CA-O 3.46Å; P192-A219 HydrophobicContact CG-CB 3.95Å; P192-A257 HydrophobicContact CB-CB 3.98Å; P192-A257 HydrophobicContact CG-CB 4.15Å; P192-N259 HydrophobicContact CG-CB 4.24Å; P192-G264 VanDerWaalsContact CD-O 3.27Å; P192-G264 WeakPolarHBondContact CD-O 3.27Å; P192-S266 WeakPolarHBondContact O-CB 3.39Å
193K84Confident81Confident136 Ų13664 Ų6459%0.59137%0.368SS*.SBendtrans-74.3-43.6-175.2-114.4-178.5-169.3172.90112.6E116 R163 S191 T214E116-K193 IonicContact OE1-NZ 3.7Å; R163-K193 VanDerWaalsContact NH2-CG 3.33Å; S191-K193 PolarHBondContact O-N 3.45Å; S191-K193 VanDerWaalsContact O-N 3.11Å; K193-T214 PolarHBondContact N-O 2.88Å
194K84.1Confident79.2Confident135 Ų13563.9 Ų63.959%0.58738%0.38SS*.  trans-154.5116.8176.3-167.8178.7-180-1770108.1V196 S213 S266K194-V196 HydrophobicContact CB-CG1 4.3Å; K194-V196 HydrophobicContact CD-CG1 3.6Å; K194-V196 HydrophobicContact CG-CG1 3.7Å; K194-V196 PolarHBondContact O-N 3.15Å; K194-S213 PolarHBondContact O-OG 2.89Å; K194-S266 WeakPolarHBondContact CA-OG 3.42Å
195C84.2Confident77.8Confident0 Ų066 Ų660%039%0.391CS..  trans-70.4117.3161.3-148.30000106.2C211 T212 A257 S266 Q268C195-C211 WeakPolarHBondContact CB-SG 3.41Å; C195-C211 WeakPolarHBondContact SG-CB 3.46Å; C195-C211 CovalentContact SG-SG 2.04Å; C195-C211 PolarHBondContact SG-SG 2.88Å; C195-T212 CarbonylContact C-O 3.56Å; C195-T212 VanDerWaalsContact CA-O 3.28Å; C195-T212 WeakPolarHBondContact CA-O 3.43Å; C195-A257 HydrophobicContact CB-CB 4.36Å; C195-S266 PolarHBondContact N-OG 2.73Å; C195-Q268 HydrophobicContact CB-CB 4.03Å; C195-Q268 PolarHBondContact O-OE1 3.37Å
196V79.1Confident76.9Confident61 Ų6165.9 Ų65.937%0.3739%0.387SS..EExtended strand (participates in β ladder)trans-111.9147.2175.7-700000109.2K194 C211 T212K194-V196 HydrophobicContact CB-CG1 4.3Å; K194-V196 HydrophobicContact CD-CG1 3.6Å; K194-V196 HydrophobicContact CG-CG1 3.7Å; K194-V196 PolarHBondContact O-N 3.15Å; V196-C211 CarbonylContact O-C 3.54Å; V196-C211 WeakPolarHBondContact O-CA 2.9Å; V196-T212 WeakPolarHBondContact CG2-OG1 3.5Å; V196-T212 PolarHBondContact N-O 2.85Å; V196-T212 PolarHBondContact O-N 3.12Å
197G67.8Low76.2Confident39 Ų3965.9 Ų65.940%0.40239%0.387SS..EExtended strand (participates in β ladder)trans-121.9142.2-171.900000114.6T210 Y270G197-T210 VanDerWaalsContact CA-O 3.24Å; G197-T210 WeakPolarHBondContact CA-O 3.37Å; G197-Y270 WeakPolarHBondContact CA-OH 3.49Å
198G65.9Low75.7Confident36 Ų3670.7 Ų70.737%0.37140%0.399SS..EExtended strand (participates in β ladder)trans-149.2151.4170.800000111.9T210G198-T210 PolarHBondContact N-O 2.93Å; G198-T210 PolarHBondContact O-N 2.88Å; G198-T210 PolarHBondContact O-OG1 2.83Å
199G60.8Low75.3Confident49 Ų4971 Ų7151%0.50540%0.4SS..  trans166.6144.8179.500000111.5
200D49.4Very low75Confident146 Ų14670.5 Ų70.578%0.78140%0.403SS*.  trans-86.1137.5176.4-64.2-45.5000110.4
201V56.3Low74.8Confident84 Ų8468.2 Ų68.251%0.50939%0.394SS..  trans-10899.6-180-176.70000107.9L272V201-L272 HydrophobicContact CG1-CD1 3.83Å
202L52.5Low74.6Confident125 Ų12570.1 Ų70.165%0.65440%0.404SS*.  trans-123.7129167.9-73.7171.1000109.4
203V54.6Low74.6Confident76 Ų7671 Ų7146%0.46141%0.411SS..THydrogen-bonded Turntrans-66.6140.2-177.4177.20000110.5V275V203-V275 VanDerWaalsContact CG1-O 3.25Å; V203-V275 WeakPolarHBondContact CG1-O 3.04Å
204G59.3Low75Confident61 Ų6168.5 Ų68.563%0.62941%0.407SS*.THydrogen-bonded Turntrans83.514.1173.400000115.4
205Q68.8Low75.5Confident138 Ų13862.7 Ų62.765%0.64538%0.383SS*.SBendtrans-131.9177.5176.9-65.6-150.9-24.900112.3V207 T244Q205-V207 PolarHBondContact O-N 2.91Å; Q205-T244 PolarHBondContact O-OG1 2.9Å
206V77.9Confident76.1Confident80 Ų8065.6 Ų65.649%0.48540%0.398SS..EExtended strand (participates in β ladder)trans-70.2109.7171.9179.10000108.9L242 Q243V206-L242 CarbonylContact C-O 3.51Å; V206-L242 WeakPolarHBondContact CA-O 3.42Å; V206-Q243 HydrophobicContact CG2-CG 4.23Å
207V81.3Confident76.8Confident4 Ų464 Ų642%0.02439%0.389CS..EExtended strand (participates in β ladder)trans-84.6136.8176177.40000109.2Q205 L209 S241 L242 T244 L272Q205-V207 PolarHBondContact O-N 2.91Å; V207-L209 HydrophobicContact CG1-CD2 4.15Å; V207-S241 CarbonylContact O-C 3.56Å; V207-S241 WeakPolarHBondContact O-CA 3.24Å; V207-L242 HydrophobicContact CB-CB 4.45Å; V207-L242 PolarHBondContact N-O 3.29Å; V207-L242 PolarHBondContact O-N 2.79Å; V207-T244 HydrophobicContact CB-CG2 4.43Å; V207-T244 HydrophobicContact CG2-CG2 3.71Å; V207-L272 HydrophobicContact CG1-CD1 4.29Å
208R86.4Confident78Confident160 Ų16067.1 Ų67.160%0.60440%0.403SS*.EExtended strand (participates in β ladder)trans-120.2111.5176.6-68.7-178.3174.9167.60.4110.2L240R208-L240 WeakPolarHBondContact CA-O 3.33Å
209L88.1Confident79.4Confident7 Ų766 Ų664%0.03739%0.39CS..EExtended strand (participates in β ladder)trans-92.2126.8169.7-54.1-179.1000107.8V207 W223 V239 L240 L242 Y253 Y270V207-L209 HydrophobicContact CG1-CD2 4.15Å; L209-W223 HydrophobicContact CB-CH2 3.46Å; L209-W223 VanDerWaalsContact CB-CH2 3.46Å; L209-W223 HydrophobicContact CB-CZ2 4.18Å; L209-W223 HydrophobicContact CB-CZ3 3.93Å; L209-W223 HydrophobicContact CD1-CH2 4.44Å; L209-W223 HydrophobicContact CD1-CZ3 4.04Å; L209-V239 CarbonylContact O-C 3.57Å; L209-V239 WeakPolarHBondContact O-CA 3.34Å; L209-L240 HydrophobicContact CB-CB 4.39Å; L209-L240 HydrophobicContact CD1-CD2 4.39Å; L209-L240 PolarHBondContact N-O 2.88Å; L209-L240 PolarHBondContact O-N 3.15Å; L209-L242 HydrophobicContact CD1-CD1 4.03Å; L209-L242 HydrophobicContact CG-CD1 4.48Å; L209-Y253 HydrophobicContact CD1-CD1 4.32Å; L209-Y253 HydrophobicContact CD1-CD2 4.17Å; L209-Y253 HydrophobicContact CD1-CG 3.8Å; L209-Y270 HydrophobicContact CD1-CG 4.41Å; L209-Y270 HydrophobicContact CD2-CD1 4.29Å; L209-Y270 HydrophobicContact CD2-CG 4.38Å
210T90.1Very high81.1Confident48 Ų4867.9 Ų67.929%0.29439%0.392SS..EExtended strand (participates in β ladder)trans-120127.9179.364.40000110.2G197 G198 V239 Y270G197-T210 VanDerWaalsContact CA-O 3.24Å; G197-T210 WeakPolarHBondContact CA-O 3.37Å; G198-T210 PolarHBondContact N-O 2.93Å; G198-T210 PolarHBondContact O-N 2.88Å; G198-T210 PolarHBondContact O-OG1 2.83Å; T210-V239 HydrophobicContact CG2-CB 4.48Å; T210-V239 HydrophobicContact CG2-CG1 4.26Å; T210-V239 HydrophobicContact CG2-CG2 3.88Å; T210-Y270 PolarHBondContact O-OH 2.8Å
211C91.6Very high83.2Confident0 Ų062.7 Ų62.70%036%0.362CS..EExtended strand (participates in β ladder)trans-111.4138167.2-145.70000110.4C195 V196 F221 W223 G238 C255 Q268C195-C211 WeakPolarHBondContact CB-SG 3.41Å; C195-C211 WeakPolarHBondContact SG-CB 3.46Å; C195-C211 CovalentContact SG-SG 2.04Å; C195-C211 PolarHBondContact SG-SG 2.88Å; V196-C211 CarbonylContact O-C 3.54Å; V196-C211 WeakPolarHBondContact O-CA 2.9Å; C211-F221 HydrophobicContact CB-CD1 4.2Å; C211-F221 HydrophobicContact CB-CE1 4.25Å; C211-W223 HydrophobicContact CB-CZ2 4.3Å; C211-G238 PolarHBondContact N-O 2.97Å; C211-C255 HydrophobicContact CB-CB 3.57Å; C211-C255 WeakPolarHBondContact CB-SG 3.38Å; C211-Q268 VanDerWaalsContact SG-CB 3.52Å
212T91.9Very high85.1Confident80 Ų8061.8 Ų61.849%0.49136%0.359SS..EExtended strand (participates in β ladder)trans-132147.2175.458.80000109.6C195 V196C195-T212 CarbonylContact C-O 3.56Å; C195-T212 VanDerWaalsContact CA-O 3.28Å; C195-T212 WeakPolarHBondContact CA-O 3.43Å; V196-T212 WeakPolarHBondContact CG2-OG1 3.5Å; V196-T212 PolarHBondContact N-O 2.85Å; V196-T212 PolarHBondContact O-N 3.12Å
213S93Very high87.2Confident27 Ų2756.2 Ų56.219%0.18933%0.33CS..  trans-149.3143.4177.2-167.50000111.8P192 K194 S215P192-S213 WeakPolarHBondContact CA-OG 3.48Å; P192-S213 WeakPolarHBondContact CB-OG 3.35Å; K194-S213 PolarHBondContact O-OG 2.89Å; S213-S215 PolarHBondContact O-N 2.9Å
214T93Very high89.1Confident82 Ų8256 Ų5650%0.50332%0.324SS..  trans-81.6114.1171.7640000109.5P192 K193P192-T214 WeakPolarHBondContact CA-O 3.46Å; K193-T214 PolarHBondContact N-O 2.88Å
215S94.6Very high90.7Very high13 Ų1354.2 Ų54.29%0.09130%0.301CS..  trans-146.6147.1179.7177.70000110.6Y190 S213 P217 N259Y190-S215 PolarHBondContact O-OG 3Å; S213-S215 PolarHBondContact O-N 2.9Å; S215-P217 CarbonylContact C-O 3.57Å; S215-P217 WeakPolarHBondContact CB-O 3.31Å; S215-P217 CarbonylContact O-C 3.58Å; S215-P217 PolarHBondContact OG-O 2.94Å; S215-N259 PolarHBondContact OG-ND2 2.88Å
216L94.9Very high91.5Very high61 Ų6153.1 Ų53.132%0.31930%0.3SS..BIsolated β-bridgetrans-133.3121.5168.6-171.671.9000110.5T187 Y189 Y190 N259T187-L216 HydrophobicContact CG2-CD2 3.95Å; Y189-L216 CarbonylContact C-O 3.51Å; Y189-L216 VanDerWaalsContact CA-O 3.29Å; Y189-L216 WeakPolarHBondContact CA-O 3.15Å; Y189-L216 WeakPolarHBondContact CB-O 3.32Å; Y189-L216 HydrophobicContact CD1-CD2 4.32Å; Y189-L216 HydrophobicContact CD1-CG 4.07Å; Y190-L216 HydrophobicContact CD1-CB 3.76Å; Y190-L216 HydrophobicContact CD2-CB 4.46Å; Y190-L216 HydrophobicContact CE1-CB 3.31Å; Y190-L216 HydrophobicContact CE1-CD2 4.14Å; Y190-L216 HydrophobicContact CE1-CG 4.36Å; Y190-L216 HydrophobicContact CE2-CB 4.1Å; Y190-L216 HydrophobicContact CG-CB 4.31Å; Y190-L216 VanDerWaalsContact CZ-CB 3.49Å; Y190-L216 PolarHBondContact N-O 2.75Å; Y190-L216 PolarHBondContact O-N 3.14Å; Y190-L216 VanDerWaalsContact O-N 3.08Å; L216-N259 PolarHBondContact O-ND2 3.28Å
217P94.5Very high92Very high27 Ų2751.8 Ų51.818%0.17530%0.302CS..SBendcis-56.8165.6-8.1-23.737000113.2Y189 S215 A219 N259 V261Y189-P217 HydrophobicContact CD1-CG 4.12Å; Y189-P217 HydrophobicContact CE1-CG 3.89Å; S215-P217 CarbonylContact C-O 3.57Å; S215-P217 WeakPolarHBondContact CB-O 3.31Å; S215-P217 CarbonylContact O-C 3.58Å; S215-P217 PolarHBondContact OG-O 2.94Å; P217-A219 PolarHBondContact O-N 2.91Å; P217-N259 PolarHBondContact O-ND2 2.96Å; P217-V261 HydrophobicContact CG-CG2 3.72Å
218P94.1Very high92.5Very high106 Ų10658.1 Ų58.169%0.68833%0.332SS*.PPolyproline II helixtrans-49.6138.8177-27.535.6000111.6
219A95.1Very high92.9Very high13 Ų1355.7 Ų55.711%0.10734%0.337CS..PPolyproline II helixtrans-74.9148.2-179.400000110.9P192 P217 F221 A257 T258P192-A219 HydrophobicContact CG-CB 3.95Å; P217-A219 PolarHBondContact O-N 2.91Å; A219-F221 HydrophobicContact CB-CZ 4.47Å; A219-F221 WeakPolarHBondContact O-CE2 3.43Å; A219-A257 HydrophobicContact CB-CB 4.01Å; A219-T258 CarbonylContact C-O 3.45Å; A219-T258 WeakPolarHBondContact CA-O 3.28Å; A219-T258 WeakPolarHBondContact CB-O 3.19Å
220T95.1Very high93.1Very high88 Ų8856.8 Ų56.854%0.5434%0.344SS..EExtended strand (participates in β ladder)trans-92148.5164.755.50000109.5A257 T258T220-A257 CarbonylContact O-C 3.51Å; T220-A257 WeakPolarHBondContact O-CA 3.37Å; T220-T258 PolarHBondContact N-O 3.4Å; T220-T258 PolarHBondContact O-N 3.02Å; T220-T258 PolarHBondContact OG1-O 3.08Å
221F95.1Very high93.1Very high36 Ų3659.6 Ų59.616%0.15837%0.365CS..EExtended strand (participates in β ladder)trans-115.8141.4-176.2-61.1-95.4000111.4C211 A219 D236 G238 T256 A257C211-F221 HydrophobicContact CB-CD1 4.2Å; C211-F221 HydrophobicContact CB-CE1 4.25Å; A219-F221 HydrophobicContact CB-CZ 4.47Å; A219-F221 WeakPolarHBondContact O-CE2 3.43Å; F221-D236 WeakPolarHBondContact CD2-O 3.11Å; F221-G238 VanDerWaalsContact CG-CA 3.43Å; F221-T256 CarbonylContact C-O 3.56Å; F221-T256 WeakPolarHBondContact CA-O 3.43Å; F221-A257 HydrophobicContact CD1-CB 3.84Å; F221-A257 HydrophobicContact CE1-CB 3.65Å; F221-A257 HydrophobicContact CZ-CB 4.39Å
222S95.4Very high93Very high65 Ų6564.4 Ų64.446%0.45540%0.399SS..EExtended strand (participates in β ladder)trans-130.7148.7170.761.70000110C255 T256S222-C255 CarbonylContact O-C 3.6Å; S222-C255 WeakPolarHBondContact O-CA 3.39Å; S222-T256 PolarHBondContact N-O 3.26Å; S222-T256 PolarHBondContact O-N 3.22Å
223W95.5Very high92.8Very high8 Ų862.2 Ų62.23%0.0339%0.393CS..EExtended strand (participates in β ladder)trans-116.1143.9179.5-72.290.9000110.9L209 C211 V230 G238 L240 V254 C255 Y270L209-W223 HydrophobicContact CB-CH2 3.46Å; L209-W223 VanDerWaalsContact CB-CH2 3.46Å; L209-W223 HydrophobicContact CB-CZ2 4.18Å; L209-W223 HydrophobicContact CB-CZ3 3.93Å; L209-W223 HydrophobicContact CD1-CH2 4.44Å; L209-W223 HydrophobicContact CD1-CZ3 4.04Å; C211-W223 HydrophobicContact CB-CZ2 4.3Å; W223-V230 HydrophobicContact CB-CB 4.1Å; W223-V230 PolarHBondContact O-N 2.89Å; W223-G238 VanDerWaalsContact CZ2-O 3.3Å; W223-G238 WeakPolarHBondContact CZ2-O 3.46Å; W223-L240 HydrophobicContact CB-CD2 4.1Å; W223-L240 HydrophobicContact CD2-CB 3.65Å; W223-L240 HydrophobicContact CD2-CD2 3.71Å; W223-L240 HydrophobicContact CD2-CG 4.28Å; W223-L240 VanDerWaalsContact CE2-CB 3.46Å; W223-L240 HydrophobicContact CE3-CB 4.16Å; W223-L240 HydrophobicContact CE3-CD2 3.63Å; W223-L240 HydrophobicContact CG-CB 3.98Å; W223-L240 HydrophobicContact CG-CD2 3.93Å; W223-L240 HydrophobicContact CG-CG 4.39Å; W223-L240 HydrophobicContact CH2-CB 4.3Å; W223-L240 HydrophobicContact CZ2-CB 3.81Å; W223-L240 HydrophobicContact CZ3-CB 4.45Å; W223-L240 HydrophobicContact CZ3-CD2 4.25Å; W223-V254 WeakPolarHBondContact CA-O 3.42Å; W223-C255 HydrophobicContact CD2-CB 3.86Å; W223-C255 HydrophobicContact CE3-CB 3.78Å; W223-C255 HydrophobicContact CH2-CB 3.66Å; W223-C255 HydrophobicContact CZ2-CB 3.72Å; W223-C255 HydrophobicContact CZ3-CB 3.68Å; W223-Y270 AromaticContact CH2-CD2 3.97Å; W223-Y270 HydrophobicContact CH2-CD2 3.97Å; W223-Y270 AromaticContact CH2-CE2 3.45Å; W223-Y270 HydrophobicContact CH2-CE2 3.45Å; W223-Y270 VanDerWaalsContact CH2-CE2 3.45Å; W223-Y270 AromaticContact CZ3-CD2 3.68Å; W223-Y270 HydrophobicContact CZ3-CD2 3.68Å; W223-Y270 AromaticContact CZ3-CE2 3.57Å; W223-Y270 HydrophobicContact CZ3-CE2 3.57Å
224E95.3Very high92.8Very high73 Ų7362.7 Ų62.734%0.34140%0.398SS..EExtended strand (participates in β ladder)trans-132.3148.4169.861.3179.1-172.100110Q228 Y253 V254E224-Q228 CarbonylContact C-O 3.57Å; E224-Q228 WeakPolarHBondContact CA-O 3.34Å; E224-Q228 WeakPolarHBondContact CB-O 3.41Å; E224-Y253 CarbonylContact O-C 3.58Å; E224-Y253 WeakPolarHBondContact O-CA 3.25Å; E224-V254 HydrophobicContact CG-CB 3.59Å; E224-V254 HydrophobicContact CG-CG1 4.49Å; E224-V254 HydrophobicContact CG-CG2 4.24Å; E224-V254 PolarHBondContact N-O 2.82Å; E224-V254 PolarHBondContact O-N 3.27Å; E224-V254 WeakPolarHBondContact OE1-CB 3.38Å
225S92.5Very high92.8Very high22 Ų2263.3 Ų63.315%0.15440%0.395CS..EExtended strand (participates in β ladder)trans-125.5121.7170.8-171.60000108G227 Q228 R252S225-G227 PolarHBondContact O-N 2.96Å; S225-Q228 PolarHBondContact N-O 2.01Å; S225-Q228 PolarHBondContact O-N 3.43Å; S225-R252 WeakPolarHBondContact CA-O 3.5Å
226D86.6Confident92.5Very high115 Ų11569.7 Ų69.762%0.61543%0.428SS*.THydrogen-bonded Turntrans47.836.9-179.1-56.8-41.4000113.8R252D226-R252 PolarHBondContact N-O 3.05Å; D226-R252 PolarHBondContact OD1-N 2.75Å
227G87.8Confident92.1Very high52 Ų5270 Ų7054%0.53644%0.435SS..THydrogen-bonded Turntrans85.32.5178.700000115.7S225S225-G227 PolarHBondContact O-N 2.96Å
228Q92.5Very high91.9Very high138 Ų13868.7 Ų68.765%0.64543%0.427SS*.EExtended strand (participates in β ladder)trans-105.3137.7175.3-64.5-61.3-34.300111.3E224 S225E224-Q228 CarbonylContact C-O 3.57Å; E224-Q228 WeakPolarHBondContact CA-O 3.34Å; E224-Q228 WeakPolarHBondContact CB-O 3.41Å; S225-Q228 PolarHBondContact N-O 2.01Å; S225-Q228 PolarHBondContact O-N 3.43Å
229P93.9Very high91.8Very high108 Ų10864.9 Ų64.970%0.70140%0.402SS*.EExtended strand (participates in β ladder)trans-66.3135.8-179.527.3-33.7000111.6
230V92.8Very high91.6Very high31 Ų3164.3 Ų64.319%0.18840%0.397CS..EExtended strand (participates in β ladder)trans-109.7109.1176.6-175.90000108.7W223 L240W223-V230 HydrophobicContact CB-CB 4.1Å; W223-V230 PolarHBondContact O-N 2.89Å; V230-L240 HydrophobicContact CG1-CD1 3.74Å; V230-L240 HydrophobicContact CG1-CD2 4.23Å
231S90Very high91.4Very high107 Ų10761.5 Ų61.575%0.74838%0.381SS*.  trans-102.7-31.9176.755.40000112.8G233 A234S231-G233 PolarHBondContact O-N 2.73Å; S231-A234 PolarHBondContact O-N 3.29Å
232S90.1Very high91Very high100 Ų10060.6 Ų60.670%0.69938%0.378SS*.THydrogen-bonded Turntrans-66124.8178.4-169.70000110.5A234S232-A234 PolarHBondContact O-N 2.9Å
233G87.8Confident90.3Very high35 Ų3563.2 Ų63.236%0.36138%0.383SS..THydrogen-bonded Turntrans74.2-1.6-178.900000115.3S231 S241S231-G233 PolarHBondContact O-N 2.73Å; G233-S241 PolarHBondContact O-N 3.03Å
234A92.5Very high89.3Confident37 Ų3763.8 Ų63.831%0.30639%0.387SS..BIsolated β-bridgetrans-80.4134.6174.800000110.7S231 S232 V239 L240S231-A234 PolarHBondContact O-N 3.29Å; S232-A234 PolarHBondContact O-N 2.9Å; A234-V239 CarbonylContact C-O 3.56Å; A234-L240 HydrophobicContact CB-CD1 4.1Å
235Q91.7Very high88.2Confident94 Ų9468.1 Ų68.144%0.43941%0.405SS..  trans-117.4149.1179-57.5177.423.500110.2S237 G238 V239Q235-S237 WeakPolarHBondContact CB-OG 3.38Å; Q235-S237 PolarHBondContact O-N 2.73Å; Q235-S237 PolarHBondContact OE1-OG 2.95Å; Q235-G238 PolarHBondContact O-N 3.27Å; Q235-V239 HydrophobicContact CB-CB 4.29Å; Q235-V239 HydrophobicContact CG-CB 4.42Å; Q235-V239 PolarHBondContact N-O 3.34Å
236D88.6Confident87.2Confident148 Ų14869.1 Ų69.179%0.79141%0.412SS*.THydrogen-bonded Turntrans-60.7-18.8176.2-66.2-21.1000113.3F221 G238F221-D236 WeakPolarHBondContact CD2-O 3.11Å; D236-G238 PolarHBondContact O-N 2.95Å
237S88.1Confident86.6Confident66 Ų6666.9 Ų66.946%0.46240%0.402SS..THydrogen-bonded Turntrans-72.9-4.2174.156.60000113.9Q235Q235-S237 WeakPolarHBondContact CB-OG 3.38Å; Q235-S237 PolarHBondContact O-N 2.73Å; Q235-S237 PolarHBondContact OE1-OG 2.95Å
238G90.3Very high86.2Confident0 Ų071 Ų710%041%0.412CS..SBendtrans84.416.1-175.300000113.6C211 F221 W223 Q235 D236C211-G238 PolarHBondContact N-O 2.97Å; F221-G238 VanDerWaalsContact CG-CA 3.43Å; W223-G238 VanDerWaalsContact CZ2-O 3.3Å; W223-G238 WeakPolarHBondContact CZ2-O 3.46Å; Q235-G238 PolarHBondContact O-N 3.27Å; D236-G238 PolarHBondContact O-N 2.95Å
239V91.1Very high85.7Confident27 Ų2766.5 Ų66.516%0.16439%0.391CS..EExtended strand (participates in β ladder)trans-96.2130.8175.1179.70000109.9L209 T210 A234 Q235L209-V239 CarbonylContact O-C 3.57Å; L209-V239 WeakPolarHBondContact O-CA 3.34Å; T210-V239 HydrophobicContact CG2-CB 4.48Å; T210-V239 HydrophobicContact CG2-CG1 4.26Å; T210-V239 HydrophobicContact CG2-CG2 3.88Å; A234-V239 CarbonylContact C-O 3.56Å; Q235-V239 HydrophobicContact CB-CB 4.29Å; Q235-V239 HydrophobicContact CG-CB 4.42Å; Q235-V239 PolarHBondContact N-O 3.34Å
240L91.4Very high85.2Confident0 Ų063.3 Ų63.30%037%0.371CS..EExtended strand (participates in β ladder)trans-113.8117.2167.8175.762.6000109.2R208 L209 W223 V230 A234 L242 Y253R208-L240 WeakPolarHBondContact CA-O 3.33Å; L209-L240 HydrophobicContact CB-CB 4.39Å; L209-L240 HydrophobicContact CD1-CD2 4.39Å; L209-L240 PolarHBondContact N-O 2.88Å; L209-L240 PolarHBondContact O-N 3.15Å; W223-L240 HydrophobicContact CB-CD2 4.1Å; W223-L240 HydrophobicContact CD2-CB 3.65Å; W223-L240 HydrophobicContact CD2-CD2 3.71Å; W223-L240 HydrophobicContact CD2-CG 4.28Å; W223-L240 VanDerWaalsContact CE2-CB 3.46Å; W223-L240 HydrophobicContact CE3-CB 4.16Å; W223-L240 HydrophobicContact CE3-CD2 3.63Å; W223-L240 HydrophobicContact CG-CB 3.98Å; W223-L240 HydrophobicContact CG-CD2 3.93Å; W223-L240 HydrophobicContact CG-CG 4.39Å; W223-L240 HydrophobicContact CH2-CB 4.3Å; W223-L240 HydrophobicContact CZ2-CB 3.81Å; W223-L240 HydrophobicContact CZ3-CB 4.45Å; W223-L240 HydrophobicContact CZ3-CD2 4.25Å; V230-L240 HydrophobicContact CG1-CD1 3.74Å; V230-L240 HydrophobicContact CG1-CD2 4.23Å; A234-L240 HydrophobicContact CB-CD1 4.1Å; L240-L242 HydrophobicContact CD1-CD2 4.13Å; L240-L242 HydrophobicContact CD2-CD1 4.34Å; L240-L242 HydrophobicContact CD2-CD2 4.04Å; L240-L242 HydrophobicContact CD2-CG 4.24Å; L240-L242 HydrophobicContact CG-CD2 3.98Å; L240-L242 HydrophobicContact CG-CG 4.03Å; L240-Y253 HydrophobicContact CD2-CD1 3.72Å; L240-Y253 HydrophobicContact CD2-CE1 4.18Å
241S89.4Confident84.9Confident29 Ų2962.7 Ų62.720%0.20337%0.372CS..EExtended strand (participates in β ladder)trans-98.5116.1174.1-60.60000110.1V207 G233V207-S241 CarbonylContact O-C 3.56Å; V207-S241 WeakPolarHBondContact O-CA 3.24Å; G233-S241 PolarHBondContact O-N 3.03Å
242L87Confident85Confident18 Ų1864 Ų649%0.09436%0.36CS..EExtended strand (participates in β ladder)trans-106.7133.8178.5-61.9170.4000109.3V206 V207 L209 L240 Y253 L272V206-L242 CarbonylContact C-O 3.51Å; V206-L242 WeakPolarHBondContact CA-O 3.42Å; V207-L242 HydrophobicContact CB-CB 4.45Å; V207-L242 PolarHBondContact N-O 3.29Å; V207-L242 PolarHBondContact O-N 2.79Å; L209-L242 HydrophobicContact CD1-CD1 4.03Å; L209-L242 HydrophobicContact CG-CD1 4.48Å; L240-L242 HydrophobicContact CD1-CD2 4.13Å; L240-L242 HydrophobicContact CD2-CD1 4.34Å; L240-L242 HydrophobicContact CD2-CD2 4.04Å; L240-L242 HydrophobicContact CD2-CG 4.24Å; L240-L242 HydrophobicContact CG-CD2 3.98Å; L240-L242 HydrophobicContact CG-CG 4.03Å; L242-Y253 HydrophobicContact CD1-CD1 4.16Å; L242-Y253 HydrophobicContact CD1-CD2 4.49Å; L242-Y253 HydrophobicContact CD1-CE1 3.63Å; L242-Y253 HydrophobicContact CD1-CE2 4.03Å; L242-Y253 HydrophobicContact CD2-CE1 3.96Å; L242-Y253 HydrophobicContact CG-CE1 4.44Å; L242-L272 HydrophobicContact CD1-CD2 3.72Å
243Q81.4Confident85Confident120 Ų12059.8 Ų59.856%0.56133%0.329SS*.EExtended strand (participates in β ladder)trans-94.9113.7164.9-73-179.8-29.800107.5V206 F245V206-Q243 HydrophobicContact CG2-CG 4.23Å; Q243-F245 HydrophobicContact CB-CD2 3.84Å; Q243-F245 HydrophobicContact CB-CE1 4.32Å; Q243-F245 HydrophobicContact CB-CE2 3.25Å; Q243-F245 HydrophobicContact CB-CZ 3.55Å; Q243-F245 HydrophobicContact CG-CE2 4.18Å; Q243-F245 HydrophobicContact CG-CZ 4.12Å; Q243-F245 WeakPolarHBondContact O-CD2 3.26Å; Q243-F245 PolarHBondContact O-N 3.29Å; Q243-F245 VanDerWaalsContact OE1-CE2 3.24Å
244T74.1Confident85.3Confident19 Ų1958.4 Ų58.412%0.11731%0.314CS..  trans-85.690.7-179.960.70000109.3Q205 V207 E249 V274Q205-T244 PolarHBondContact O-OG1 2.9Å; V207-T244 HydrophobicContact CB-CG2 4.43Å; V207-T244 HydrophobicContact CG2-CG2 3.71Å; T244-E249 VanDerWaalsContact CA-OE2 3.28Å; T244-E249 WeakPolarHBondContact CA-OE2 3.38Å; T244-V274 HydrophobicContact CG2-CG2 3.71Å
245F71.7Confident85.4Confident165 Ų16556.7 Ų56.772%0.72430%0.299SS*.  trans-91.5-20.3178-63.1-67.8000112.6Q243 E249Q243-F245 HydrophobicContact CB-CD2 3.84Å; Q243-F245 HydrophobicContact CB-CE1 4.32Å; Q243-F245 HydrophobicContact CB-CE2 3.25Å; Q243-F245 HydrophobicContact CB-CZ 3.55Å; Q243-F245 HydrophobicContact CG-CE2 4.18Å; Q243-F245 HydrophobicContact CG-CZ 4.12Å; Q243-F245 WeakPolarHBondContact O-CD2 3.26Å; Q243-F245 PolarHBondContact O-N 3.29Å; Q243-F245 VanDerWaalsContact OE1-CE2 3.24Å; F245-E249 PolarHBondContact N-OE2 3.16Å
246S72.2Confident85.6Confident42 Ų4253.3 Ų53.329%0.29429%0.285SS..SBendtrans-152.9167.4-175.382.10000112.5N248 E249 V274S246-N248 PolarHBondContact O-N 3.44Å; S246-N248 WeakPolarHBondContact OG-CB 3.25Å; S246-N248 PolarHBondContact OG-N 2.83Å; S246-E249 PolarHBondContact N-OE2 3.21Å; S246-E249 PolarHBondContact O-N 2.81Å; S246-E249 PolarHBondContact OG-OE1 3.17Å; S246-V274 VanDerWaalsContact O-CG1 3.26Å; S246-V274 WeakPolarHBondContact O-CG1 3.2Å
247T74.6Confident86Confident68 Ų6846.3 Ų46.342%0.41725%0.247SC..G310 helixtrans-66.3-14.9175.454.70000113.5E249 S250 V274 D276T247-E249 PolarHBondContact O-N 3.43Å; T247-S250 WeakPolarHBondContact O-CB 3.48Å; T247-S250 PolarHBondContact O-N 2.78Å; T247-S250 PolarHBondContact O-OG 3Å; T247-V274 WeakPolarHBondContact CG2-O 3.47Å; T247-D276 HydrophobicContact CG2-CB 3.84Å
248N79.8Confident86.3Confident140 Ų14045.2 Ų45.275%0.74924%0.238SC*.G310 helixtrans-69.6-16.5179.3-64.8-31.5000113.5S246 S250S246-N248 PolarHBondContact O-N 3.44Å; S246-N248 WeakPolarHBondContact OG-CB 3.25Å; S246-N248 PolarHBondContact OG-N 2.83Å; N248-S250 PolarHBondContact O-N 2.99Å
249E80.6Confident86.5Confident43 Ų4345.2 Ų45.220%0.20124%0.238CC..G310 helixtrans-78.8-2.6172.6-62.291-129.700112.3T244 F245 S246 T247 Y253 L272 V274T244-E249 VanDerWaalsContact CA-OE2 3.28Å; T244-E249 WeakPolarHBondContact CA-OE2 3.38Å; F245-E249 PolarHBondContact N-OE2 3.16Å; S246-E249 PolarHBondContact N-OE2 3.21Å; S246-E249 PolarHBondContact O-N 2.81Å; S246-E249 PolarHBondContact OG-OE1 3.17Å; T247-E249 PolarHBondContact O-N 3.43Å; E249-Y253 VanDerWaalsContact O-CE2 3.29Å; E249-Y253 WeakPolarHBondContact O-CE2 3.16Å; E249-Y253 PolarHBondContact O-OH 3.22Å; E249-L272 WeakPolarHBondContact O-CD2 3.29Å; E249-V274 HydrophobicContact CB-CG2 4.19Å
250S83.9Confident86.6Confident40 Ų4048.3 Ų48.328%0.2826%0.261SS..  trans-65.9143.2165.1-51.20000110.5T247 N248 L272 V274T247-S250 WeakPolarHBondContact O-CB 3.48Å; T247-S250 PolarHBondContact O-N 2.78Å; T247-S250 PolarHBondContact O-OG 3Å; N248-S250 PolarHBondContact O-N 2.99Å; S250-L272 CarbonylContact C-O 3.6Å; S250-L272 VanDerWaalsContact CA-O 3.24Å; S250-L272 WeakPolarHBondContact CA-O 2.89Å; S250-L272 WeakPolarHBondContact CB-O 3.43Å; S250-V274 WeakPolarHBondContact OG-CA 3.4Å; S250-V274 WeakPolarHBondContact OG-CB 3.49Å; S250-V274 PolarHBondContact OG-N 2.93Å; S250-V274 PolarHBondContact OG-O 2.98Å
251G87.4Confident86.6Confident19 Ų1951.4 Ų51.420%0.19628%0.28CS..EExtended strand (participates in β ladder)trans157.7-175.317800000112.7L272G251-L272 PolarHBondContact N-O 3.39Å; G251-L272 PolarHBondContact O-N 2.94Å
252R90.3Very high86.7Confident134 Ų13451.4 Ų51.451%0.50628%0.278SS..EExtended strand (participates in β ladder)trans-94.5111175.3-177.3178.7171.6-141.6-2.7109.4S225 D226 V254 S269 Y270S225-R252 WeakPolarHBondContact CA-O 3.5Å; D226-R252 PolarHBondContact N-O 3.05Å; D226-R252 PolarHBondContact OD1-N 2.75Å; R252-V254 HydrophobicContact CG-CG2 4.14Å; R252-S269 PolarHBondContact NE-OG 3.32Å; R252-S269 PolarHBondContact NH2-OG 3.02Å; R252-Y270 WeakPolarHBondContact CA-O 3.27Å
253Y91.1Very high86.9Confident12 Ų1260.7 Ų60.75%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-94.1131.7171.8-67-95.3000109.5L209 E224 L240 L242 E249 S269 Y270 L272L209-Y253 HydrophobicContact CD1-CD1 4.32Å; L209-Y253 HydrophobicContact CD1-CD2 4.17Å; L209-Y253 HydrophobicContact CD1-CG 3.8Å; E224-Y253 CarbonylContact O-C 3.58Å; E224-Y253 WeakPolarHBondContact O-CA 3.25Å; L240-Y253 HydrophobicContact CD2-CD1 3.72Å; L240-Y253 HydrophobicContact CD2-CE1 4.18Å; L242-Y253 HydrophobicContact CD1-CD1 4.16Å; L242-Y253 HydrophobicContact CD1-CD2 4.49Å; L242-Y253 HydrophobicContact CD1-CE1 3.63Å; L242-Y253 HydrophobicContact CD1-CE2 4.03Å; L242-Y253 HydrophobicContact CD2-CE1 3.96Å; L242-Y253 HydrophobicContact CG-CE1 4.44Å; E249-Y253 VanDerWaalsContact O-CE2 3.29Å; E249-Y253 WeakPolarHBondContact O-CE2 3.16Å; E249-Y253 PolarHBondContact O-OH 3.22Å; Y253-S269 CarbonylContact O-C 3.59Å; Y253-S269 WeakPolarHBondContact O-CA 3.47Å; Y253-Y270 PolarHBondContact N-O 2.78Å; Y253-Y270 PolarHBondContact O-N 2.84Å; Y253-L272 HydrophobicContact CD2-CB 3.99Å; Y253-L272 HydrophobicContact CD2-CD2 4.47Å; Y253-L272 HydrophobicContact CE2-CB 3.89Å; Y253-L272 HydrophobicContact CE2-CD2 3.85Å; Y253-L272 HydrophobicContact CE2-CG 4.48Å
254V93.9Very high87.5Confident6 Ų655.8 Ų55.84%0.03629%0.294CS..EExtended strand (participates in β ladder)trans-121.9126.5176.1-172.10000108.9W223 E224 R252 Q268W223-V254 WeakPolarHBondContact CA-O 3.42Å; E224-V254 HydrophobicContact CG-CB 3.59Å; E224-V254 HydrophobicContact CG-CG1 4.49Å; E224-V254 HydrophobicContact CG-CG2 4.24Å; E224-V254 PolarHBondContact N-O 2.82Å; E224-V254 PolarHBondContact O-N 3.27Å; E224-V254 WeakPolarHBondContact OE1-CB 3.38Å; R252-V254 HydrophobicContact CG-CG2 4.14Å; V254-Q268 CarbonylContact C-O 3.57Å; V254-Q268 WeakPolarHBondContact CA-O 3.39Å
255C94.6Very high88.5Confident0 Ų059.1 Ų59.10%031%0.314CS..EExtended strand (participates in β ladder)trans-96.5136.7168.3-170.40000109.3C211 S222 W223 T267 Q268 Y270C211-C255 HydrophobicContact CB-CB 3.57Å; C211-C255 WeakPolarHBondContact CB-SG 3.38Å; S222-C255 CarbonylContact O-C 3.6Å; S222-C255 WeakPolarHBondContact O-CA 3.39Å; W223-C255 HydrophobicContact CD2-CB 3.86Å; W223-C255 HydrophobicContact CE3-CB 3.78Å; W223-C255 HydrophobicContact CH2-CB 3.66Å; W223-C255 HydrophobicContact CZ2-CB 3.72Å; W223-C255 HydrophobicContact CZ3-CB 3.68Å; C255-T267 CarbonylContact O-C 3.59Å; C255-T267 WeakPolarHBondContact O-CA 3.45Å; C255-Q268 PolarHBondContact N-O 2.9Å; C255-Q268 PolarHBondContact O-N 2.83Å; C255-Y270 HydrophobicContact CB-CE2 4.35Å
256T95.4Very high89.6Confident24 Ų2452.2 Ų52.215%0.14729%0.286CS..EExtended strand (participates in β ladder)trans-119.5117.9174.2-60.30000109.6F221 S222 T265 T267F221-T256 CarbonylContact C-O 3.56Å; F221-T256 WeakPolarHBondContact CA-O 3.43Å; S222-T256 PolarHBondContact N-O 3.26Å; S222-T256 PolarHBondContact O-N 3.22Å; T256-T265 HydrophobicContact CG2-CG2 4.37Å; T256-T267 HydrophobicContact CG2-CG2 3.95Å; T256-T267 WeakPolarHBondContact OG1-CG2 3.36Å
257A96.8Very high90.7Very high0 Ų054 Ų540%030%0.296CS..EExtended strand (participates in β ladder)trans-90.2132.6169.900000109.7P192 C195 A219 T220 F221 T265 S266P192-A257 HydrophobicContact CB-CB 3.98Å; P192-A257 HydrophobicContact CG-CB 4.15Å; C195-A257 HydrophobicContact CB-CB 4.36Å; A219-A257 HydrophobicContact CB-CB 4.01Å; T220-A257 CarbonylContact O-C 3.51Å; T220-A257 WeakPolarHBondContact O-CA 3.37Å; F221-A257 HydrophobicContact CD1-CB 3.84Å; F221-A257 HydrophobicContact CE1-CB 3.65Å; F221-A257 HydrophobicContact CZ-CB 4.39Å; A257-T265 CarbonylContact O-C 3.58Å; A257-T265 WeakPolarHBondContact O-CA 3.24Å; A257-S266 PolarHBondContact N-O 3.14Å; A257-S266 PolarHBondContact O-N 3Å
258T95.4Very high91.5Very high43 Ų4353.4 Ų53.426%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-129.2135.1-178-55.80000111A219 T220 T265A219-T258 CarbonylContact C-O 3.45Å; A219-T258 WeakPolarHBondContact CA-O 3.28Å; A219-T258 WeakPolarHBondContact CB-O 3.19Å; T220-T258 PolarHBondContact N-O 3.4Å; T220-T258 PolarHBondContact O-N 3.02Å; T220-T258 PolarHBondContact OG1-O 3.08Å; T258-T265 HydrophobicContact CG2-CG2 4Å
259N95.4Very high92.1Very high1 Ų148.6 Ų48.61%0.00527%0.266CS..  trans-97.9129.3173.1179.2-58.6000110.8Y190 P192 S215 L216 P217 V261 T262 R263 G264Y190-N259 PolarHBondContact O-ND2 2.78Å; P192-N259 HydrophobicContact CG-CB 4.24Å; S215-N259 PolarHBondContact OG-ND2 2.88Å; L216-N259 PolarHBondContact O-ND2 3.28Å; P217-N259 PolarHBondContact O-ND2 2.96Å; N259-V261 VanDerWaalsContact C-N 3.31Å; N259-V261 PolarHBondContact O-N 3Å; N259-V261 WeakPolarHBondContact OD1-CA 3.46Å; N259-V261 PolarHBondContact OD1-N 2.84Å; N259-T262 WeakPolarHBondContact CB-OG1 3.35Å; N259-T262 PolarHBondContact OD1-N 3.19Å; N259-T262 PolarHBondContact OD1-OG1 3.04Å; N259-R263 WeakPolarHBondContact O-CA 3.29Å; N259-R263 PolarHBondContact O-N 2.71Å; N259-G264 PolarHBondContact N-O 3.38Å
260S92.8Very high92.4Very high91 Ų9148 Ų4864%0.63626%0.262SS*.THydrogen-bonded Turntrans-67.8-26.1-174.855.80000114.5
261V91.2Very high92.5Very high65 Ų6552.9 Ų52.939%0.39428%0.284SS..THydrogen-bonded Turntrans-95.9-51.4-176.9-176.90000111.4Y189 P217 N259 R263Y189-V261 HydrophobicContact CD2-CB 3.95Å; Y189-V261 HydrophobicContact CD2-CG1 3.38Å; Y189-V261 HydrophobicContact CD2-CG2 4.14Å; Y189-V261 HydrophobicContact CE2-CB 4.32Å; Y189-V261 HydrophobicContact CE2-CG1 3.78Å; Y189-V261 HydrophobicContact CE2-CG2 4.02Å; Y189-V261 HydrophobicContact CG-CB 4.43Å; Y189-V261 HydrophobicContact CG-CG1 4.23Å; P217-V261 HydrophobicContact CG-CG2 3.72Å; N259-V261 VanDerWaalsContact C-N 3.31Å; N259-V261 PolarHBondContact O-N 3Å; N259-V261 WeakPolarHBondContact OD1-CA 3.46Å; N259-V261 PolarHBondContact OD1-N 2.84Å; V261-R263 VanDerWaalsContact C-N 3.26Å; V261-R263 PolarHBondContact O-N 2.92Å
262T91.2Very high92.4Very high29 Ų2952.5 Ų52.518%0.17828%0.278CS..THydrogen-bonded Turntrans-77.7-16.3-178.369.70000112.5V115 S191 N259 G264V115-T262 HydrophobicContact CG1-CG2 3.82Å; S191-T262 WeakPolarHBondContact CA-OG1 3.43Å; S191-T262 VanDerWaalsContact OG-CB 3.26Å; S191-T262 WeakPolarHBondContact OG-CB 3.48Å; S191-T262 PolarHBondContact OG-OG1 2.9Å; N259-T262 WeakPolarHBondContact CB-OG1 3.35Å; N259-T262 PolarHBondContact OD1-N 3.19Å; N259-T262 PolarHBondContact OD1-OG1 3.04Å; T262-G264 PolarHBondContact O-N 2.93Å; T262-G264 PolarHBondContact OG1-N 3.29Å
263R91.9Very high91.9Very high214 Ų21449.1 Ų49.181%0.80828%0.279SS*.  trans55.811.9-170.1-56.1-173.8-180-170.7-0.2114N259 V261N259-R263 WeakPolarHBondContact O-CA 3.29Å; N259-R263 PolarHBondContact O-N 2.71Å; V261-R263 VanDerWaalsContact C-N 3.26Å; V261-R263 PolarHBondContact O-N 2.92Å
264G92.5Very high91.3Very high17 Ų1749.3 Ų49.318%0.17528%0.281CS..  trans-75.4145.9177.300000111P192 N259 T262P192-G264 VanDerWaalsContact CD-O 3.27Å; P192-G264 WeakPolarHBondContact CD-O 3.27Å; N259-G264 PolarHBondContact N-O 3.38Å; T262-G264 PolarHBondContact O-N 2.93Å; T262-G264 PolarHBondContact OG1-N 3.29Å
265T95.1Very high90.2Very high88 Ų8853.3 Ų53.354%0.5431%0.305SS..EExtended strand (participates in β ladder)trans-123.6155.4-179.959.30000111.5T256 A257 T258T256-T265 HydrophobicContact CG2-CG2 4.37Å; A257-T265 CarbonylContact O-C 3.58Å; A257-T265 WeakPolarHBondContact O-CA 3.24Å; T258-T265 HydrophobicContact CG2-CG2 4Å
266S96Very high89Confident20 Ų2058.9 Ų58.914%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-144137.8169.3-174.20000109.3P192 K194 C195 A257P192-S266 WeakPolarHBondContact O-CB 3.39Å; K194-S266 WeakPolarHBondContact CA-OG 3.42Å; C195-S266 PolarHBondContact N-OG 2.73Å; A257-S266 PolarHBondContact N-O 3.14Å; A257-S266 PolarHBondContact O-N 3Å
267T94Very high87.4Confident80 Ų8063.2 Ų63.249%0.49136%0.361SS..EExtended strand (participates in β ladder)trans-118.8153.2-174.161.70000112.3C255 T256C255-T267 CarbonylContact O-C 3.59Å; C255-T267 WeakPolarHBondContact O-CA 3.45Å; T256-T267 HydrophobicContact CG2-CG2 3.95Å; T256-T267 WeakPolarHBondContact OG1-CG2 3.36Å
268Q92.7Very high85.9Confident56 Ų5667.9 Ų67.926%0.26239%0.393SS..EExtended strand (participates in β ladder)trans-137.2131.2173-179.857.647.300109.6C195 C211 V254 C255 Y270C195-Q268 HydrophobicContact CB-CB 4.03Å; C195-Q268 PolarHBondContact O-OE1 3.37Å; C211-Q268 VanDerWaalsContact SG-CB 3.52Å; V254-Q268 CarbonylContact C-O 3.57Å; V254-Q268 WeakPolarHBondContact CA-O 3.39Å; C255-Q268 PolarHBondContact N-O 2.9Å; C255-Q268 PolarHBondContact O-N 2.83Å; Q268-Y270 HydrophobicContact CB-CE2 4.23Å; Q268-Y270 HydrophobicContact CG-CE1 4.31Å; Q268-Y270 HydrophobicContact CG-CE2 3.76Å
269S91.3Very high83.9Confident39 Ų3974.5 Ų74.527%0.27342%0.419SS..EExtended strand (participates in β ladder)trans-102.8144.7177.3-60.50000112.1R252 Y253R252-S269 PolarHBondContact NE-OG 3.32Å; R252-S269 PolarHBondContact NH2-OG 3.02Å; Y253-S269 CarbonylContact O-C 3.59Å; Y253-S269 WeakPolarHBondContact O-CA 3.47Å
270Y87.6Confident82Confident30 Ų3081.6 Ų81.612%0.11846%0.456CS..EExtended strand (participates in β ladder)trans-129.5132.2174.7-51.9-97.9000108.4G197 L209 T210 W223 R252 Y253 C255 Q268G197-Y270 WeakPolarHBondContact CA-OH 3.49Å; L209-Y270 HydrophobicContact CD1-CG 4.41Å; L209-Y270 HydrophobicContact CD2-CD1 4.29Å; L209-Y270 HydrophobicContact CD2-CG 4.38Å; T210-Y270 PolarHBondContact O-OH 2.8Å; W223-Y270 AromaticContact CH2-CD2 3.97Å; W223-Y270 HydrophobicContact CH2-CD2 3.97Å; W223-Y270 AromaticContact CH2-CE2 3.45Å; W223-Y270 HydrophobicContact CH2-CE2 3.45Å; W223-Y270 VanDerWaalsContact CH2-CE2 3.45Å; W223-Y270 AromaticContact CZ3-CD2 3.68Å; W223-Y270 HydrophobicContact CZ3-CD2 3.68Å; W223-Y270 AromaticContact CZ3-CE2 3.57Å; W223-Y270 HydrophobicContact CZ3-CE2 3.57Å; R252-Y270 WeakPolarHBondContact CA-O 3.27Å; Y253-Y270 PolarHBondContact N-O 2.78Å; Y253-Y270 PolarHBondContact O-N 2.84Å; C255-Y270 HydrophobicContact CB-CE2 4.35Å; Q268-Y270 HydrophobicContact CB-CE2 4.23Å; Q268-Y270 HydrophobicContact CG-CE1 4.31Å; Q268-Y270 HydrophobicContact CG-CE2 3.76Å
271N86.4Confident80.1Confident142 Ų14279.1 Ų79.176%0.75945%0.446SS*.EExtended strand (participates in β ladder)trans-101.7107.5173.3-64.3-26.9000107.8
272L84.4Confident78.3Confident11 Ų1179.2 Ų79.26%0.05846%0.46CS..EExtended strand (participates in β ladder)trans-95.7130.5178.3-177.660.6000109.4V201 V207 L242 E249 S250 G251 Y253 V274V201-L272 HydrophobicContact CG1-CD1 3.83Å; V207-L272 HydrophobicContact CG1-CD1 4.29Å; L242-L272 HydrophobicContact CD1-CD2 3.72Å; E249-L272 WeakPolarHBondContact O-CD2 3.29Å; S250-L272 CarbonylContact C-O 3.6Å; S250-L272 VanDerWaalsContact CA-O 3.24Å; S250-L272 WeakPolarHBondContact CA-O 2.89Å; S250-L272 WeakPolarHBondContact CB-O 3.43Å; G251-L272 PolarHBondContact N-O 3.39Å; G251-L272 PolarHBondContact O-N 2.94Å; Y253-L272 HydrophobicContact CD2-CB 3.99Å; Y253-L272 HydrophobicContact CD2-CD2 4.47Å; Y253-L272 HydrophobicContact CE2-CB 3.89Å; Y253-L272 HydrophobicContact CE2-CD2 3.85Å; Y253-L272 HydrophobicContact CE2-CG 4.48Å; L272-V274 HydrophobicContact CD2-CG2 4.24Å; L272-V274 HydrophobicContact CG-CG2 4.13Å
273A79.8Confident76.6Confident64 Ų6485.5 Ų85.553%0.52949%0.487SS..  trans-118.2112.2172.500000109.1
274V78.1Confident74.8Confident15 Ų1579.6 Ų79.69%0.09147%0.474CS..  trans-100120.4172.2-173.80000107.4T244 S246 T247 E249 S250 L272T244-V274 HydrophobicContact CG2-CG2 3.71Å; S246-V274 VanDerWaalsContact O-CG1 3.26Å; S246-V274 WeakPolarHBondContact O-CG1 3.2Å; T247-V274 WeakPolarHBondContact CG2-O 3.47Å; E249-V274 HydrophobicContact CB-CG2 4.19Å; S250-V274 WeakPolarHBondContact OG-CA 3.4Å; S250-V274 WeakPolarHBondContact OG-CB 3.49Å; S250-V274 PolarHBondContact OG-N 2.93Å; S250-V274 PolarHBondContact OG-O 2.98Å; L272-V274 HydrophobicContact CD2-CG2 4.24Å; L272-V274 HydrophobicContact CG-CG2 4.13Å
275V72.3Confident73Confident90 Ų9081.4 Ų81.455%0.54549%0.488SS..  trans-112.9131.6-177.1-175.30000108.7V203V203-V275 VanDerWaalsContact CG1-O 3.25Å; V203-V275 WeakPolarHBondContact CG1-O 3.04Å
276D68.2Low71.2Confident117 Ų11779.5 Ų79.563%0.62649%0.486SS*.  trans-80.1125.3169.7-1660.4000108.9T247 C278T247-D276 HydrophobicContact CG2-CB 3.84Å; D276-C278 PolarHBondContact O-N 3.38Å
277V63.6Low69.5Low115 Ų11584.3 Ų84.370%0.69751%0.509SS*.  trans-89.684.4175.4-169.50000107F279V277-F279 PolarHBondContact O-N 3.14Å
278C63.8Low68.1Low98 Ų9884.3 Ų84.366%0.66251%0.508SS*.  trans-63.2102.5168.4-67.70000108.6D276 D280D276-C278 PolarHBondContact O-N 3.38Å; C278-D280 PolarHBondContact O-N 3.2Å; C278-D280 VanDerWaalsContact O-N 3.13Å
279F53.1Low67Low183 Ų18386.6 Ų86.680%0.80352%0.521SS*.  trans-76.595165.8-155.7-92.9000106.8V277 G281V277-F279 PolarHBondContact O-N 3.14Å; F279-G281 PolarHBondContact O-N 2.8Å
280D55.7Low65.9Low149 Ų14986.8 Ų86.880%0.79753%0.53SS*.  trans-63.181.9170.7-96.4-29.5000108.9C278 G282C278-D280 PolarHBondContact O-N 3.2Å; C278-D280 VanDerWaalsContact O-N 3.13Å; D280-G282 PolarHBondContact O-N 2.78Å
281G52.6Low65.4Low40 Ų4088.2 Ų88.241%0.41255%0.548SS..THydrogen-bonded Turntrans-69.613.7174.600000113.7F279F279-G281 PolarHBondContact O-N 2.8Å
282G54Low65.1Low67 Ų6788.9 Ų88.969%0.69154%0.544SS*.THydrogen-bonded Turntrans-76.7-24.1-173.900000114.9D280D280-G282 PolarHBondContact O-N 2.78Å
283E54.8Low65Low160 Ų16093 Ų9375%0.74857%0.566SS**THydrogen-bonded Turntrans-95.8-28.4-172.9-127.9179.6176.200113.9
284V54.8Low65.2Low90 Ų9091.4 Ų91.455%0.54556%0.555SS.*Hα-helixtrans-76.4-28.6-177.4-86.10000113.5V288V284-V288 VanDerWaalsContact O-CG2 3.27Å; V284-V288 WeakPolarHBondContact O-CG2 3.44Å; V284-V288 PolarHBondContact O-N 3.19Å
285A56.1Low65.6Low55 Ų5596.1 Ų96.146%0.45558%0.579SS.*Hα-helixtrans-67.7-38.7177.200000112.3I289A285-I289 WeakPolarHBondContact O-CB 3.33Å; A285-I289 WeakPolarHBondContact O-CD1 3.43Å; A285-I289 WeakPolarHBondContact O-CG1 2.98Å; A285-I289 PolarHBondContact O-N 2.91Å; A285-I289 VanDerWaalsContact O-N 3.15Å
286G55.7Low66.4Low49 Ų4997 Ų9751%0.50558%0.58SS.*Hα-helixtrans-67.8-41179.700000113.3G290G286-G290 PolarHBondContact O-N 2.8Å
287I61.2Low67.3Low121 Ų12196 Ų9662%0.62157%0.574SS**Hα-helixtrans-68.9-41.8-179.5-63.6172.7000111.1A291I287-A291 WeakPolarHBondContact O-CB 3.27Å; I287-A291 PolarHBondContact O-N 2.96Å
288V65.1Low68.6Low79 Ų7995.2 Ų95.248%0.47957%0.565SS.*Hα-helixtrans-67.6-45.3-179.91760000110.9V284 G290 A291 F292V284-V288 VanDerWaalsContact O-CG2 3.27Å; V284-V288 WeakPolarHBondContact O-CG2 3.44Å; V284-V288 PolarHBondContact O-N 3.19Å; V288-G290 PolarHBondContact O-N 2.64Å; V288-A291 PolarHBondContact O-N 2.75Å; V288-F292 HydrophobicContact CG1-CD2 3.84Å; V288-F292 HydrophobicContact CG1-CE2 3.81Å; V288-F292 VanDerWaalsContact O-CD2 3.27Å; V288-F292 WeakPolarHBondContact O-CD2 3.33Å; V288-F292 PolarHBondContact O-N 2.66Å; V288-F292 VanDerWaalsContact O-N 3.11Å
289I68.4Low69.9Low105 Ų10593.8 Ų93.854%0.53855%0.553SS.*Hα-helixtrans-65.5-40.9178.6-64167000110.9A285 A291 F292 L293A285-I289 WeakPolarHBondContact O-CB 3.33Å; A285-I289 WeakPolarHBondContact O-CD1 3.43Å; A285-I289 WeakPolarHBondContact O-CG1 2.98Å; A285-I289 PolarHBondContact O-N 2.91Å; A285-I289 VanDerWaalsContact O-N 3.15Å; I289-A291 PolarHBondContact O-N 3.47Å; I289-F292 PolarHBondContact O-N 2.67Å; I289-L293 HydrophobicContact CG2-CD1 3.89Å; I289-L293 HydrophobicContact CG2-CG 4.47Å; I289-L293 WeakPolarHBondContact O-CG 3.33Å; I289-L293 PolarHBondContact O-N 2.95Å
290G69Low71.6Confident43 Ų4389.9 Ų89.944%0.44354%0.54SS..Hα-helixtrans-62.1-41.2176.300000113.2G286 V288 G294G286-G290 PolarHBondContact O-N 2.8Å; V288-G290 PolarHBondContact O-N 2.64Å; G290-G294 PolarHBondContact O-N 2.93Å
291A76.8Confident73.2Confident60 Ų6087.8 Ų87.850%0.49653%0.528SS..Hα-helixtrans-65.3-43.9176.800000112.2I287 V288 I289 G294 L295I287-A291 WeakPolarHBondContact O-CB 3.27Å; I287-A291 PolarHBondContact O-N 2.96Å; V288-A291 PolarHBondContact O-N 2.75Å; I289-A291 PolarHBondContact O-N 3.47Å; A291-G294 PolarHBondContact O-N 3.32Å; A291-L295 WeakPolarHBondContact O-CB 3.32Å; A291-L295 PolarHBondContact O-N 3.04Å
292F80.2Confident75Confident156 Ų15690.3 Ų90.368%0.68453%0.531SS*.Hα-helixtrans-65.2-42.5177.8-86.8-74.1000112.7V288 I289 L295 L296V288-F292 HydrophobicContact CG1-CD2 3.84Å; V288-F292 HydrophobicContact CG1-CE2 3.81Å; V288-F292 VanDerWaalsContact O-CD2 3.27Å; V288-F292 WeakPolarHBondContact O-CD2 3.33Å; V288-F292 PolarHBondContact O-N 2.66Å; V288-F292 VanDerWaalsContact O-N 3.11Å; I289-F292 PolarHBondContact O-N 2.67Å; F292-L295 PolarHBondContact O-N 2.76Å; F292-L296 WeakPolarHBondContact O-CB 3.39Å; F292-L296 PolarHBondContact O-N 2.84Å
293L81.9Confident76.6Confident98 Ų9891.8 Ų91.851%0.51352%0.523SS..Hα-helixtrans-65.7-41.1176.1-73.7170.4000111.9I289 L296 I297I289-L293 HydrophobicContact CG2-CD1 3.89Å; I289-L293 HydrophobicContact CG2-CG 4.47Å; I289-L293 WeakPolarHBondContact O-CG 3.33Å; I289-L293 PolarHBondContact O-N 2.95Å; L293-L296 PolarHBondContact O-N 3.03Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.34Å; L293-I297 PolarHBondContact O-N 2.84Å
294G83.4Confident78.2Confident30 Ų3090.7 Ų90.731%0.30952%0.516SS..Hα-helixtrans-61.1-45.6175.600000112.5G290 A291 L296 I297 I298G290-G294 PolarHBondContact O-N 2.93Å; A291-G294 PolarHBondContact O-N 3.32Å; G294-L296 PolarHBondContact O-N 3.23Å; G294-I297 PolarHBondContact O-N 3.2Å; G294-I298 WeakPolarHBondContact O-CG1 3.08Å; G294-I298 PolarHBondContact O-N 2.96Å
295L87.5Confident79.6Confident114 Ų11491.3 Ų91.360%0.59752%0.515SS*.Hα-helixtrans-65.2-39.1178.2-129.8149000111.8A291 F292 I298 V299A291-L295 WeakPolarHBondContact O-CB 3.32Å; A291-L295 PolarHBondContact O-N 3.04Å; F292-L295 PolarHBondContact O-N 2.76Å; L295-I298 PolarHBondContact O-N 2.94Å; L295-V299 HydrophobicContact CD2-CG2 4.36Å; L295-V299 VanDerWaalsContact O-CG2 3.31Å; L295-V299 WeakPolarHBondContact O-CG2 3.49Å; L295-V299 PolarHBondContact O-N 2.78Å
296L88.3Confident80.9Confident107 Ų10791.9 Ų91.956%0.5651%0.513SS*.Hα-helixtrans-62-44.6175.4-165.582.8000111.8F292 L293 G294 V299 L300F292-L296 WeakPolarHBondContact O-CB 3.39Å; F292-L296 PolarHBondContact O-N 2.84Å; L293-L296 PolarHBondContact O-N 3.03Å; G294-L296 PolarHBondContact O-N 3.23Å; L296-V299 PolarHBondContact O-N 2.87Å; L296-L300 HydrophobicContact CG-CD1 4.41Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.43Å; L296-L300 PolarHBondContact O-N 2.78Å
297I88Confident82.1Confident98 Ų9893.3 Ų93.350%0.50351%0.512SS..Hα-helixtrans-63.4-43.1177.8-68.9167.1000110.8L293 G294 V299 L300 L301L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.34Å; L293-I297 PolarHBondContact O-N 2.84Å; G294-I297 PolarHBondContact O-N 3.2Å; I297-V299 PolarHBondContact O-N 3.15Å; I297-L300 PolarHBondContact O-N 3.44Å; I297-L301 HydrophobicContact CG2-CD1 4.04Å; I297-L301 HydrophobicContact CG2-CG 4.43Å; I297-L301 WeakPolarHBondContact O-CG 3.43Å; I297-L301 PolarHBondContact O-N 3.5Å
298I90.1Very high82.9Confident98 Ų9891.5 Ų91.550%0.50350%0.499SS..Hα-helixtrans-61.2-44.9177.3-68.9167000110.7G294 L295 L300 L301 I302G294-I298 WeakPolarHBondContact O-CG1 3.08Å; G294-I298 PolarHBondContact O-N 2.96Å; L295-I298 PolarHBondContact O-N 2.94Å; I298-L300 VanDerWaalsContact C-N 3.35Å; I298-L300 PolarHBondContact O-N 3.44Å; I298-L301 PolarHBondContact O-N 2.69Å; I298-I302 HydrophobicContact CG2-CD1 3.77Å; I298-I302 HydrophobicContact CG2-CG1 4.43Å; I298-I302 VanDerWaalsContact O-CG1 3.27Å; I298-I302 WeakPolarHBondContact O-CG1 3.26Å; I298-I302 PolarHBondContact O-N 2.75Å
299V90.4Very high83.5Confident67 Ų6791.6 Ų91.641%0.40650%0.5SS..Hα-helixtrans-62.2-42.5177.2171.20000111.3L295 L296 I297 I302 L303L295-V299 HydrophobicContact CD2-CG2 4.36Å; L295-V299 VanDerWaalsContact O-CG2 3.31Å; L295-V299 WeakPolarHBondContact O-CG2 3.49Å; L295-V299 PolarHBondContact O-N 2.78Å; L296-V299 PolarHBondContact O-N 2.87Å; I297-V299 PolarHBondContact O-N 3.15Å; V299-I302 PolarHBondContact O-N 3.44Å; V299-L303 HydrophobicContact CG1-CD1 3.96Å; V299-L303 HydrophobicContact CG1-CG 4.45Å; V299-L303 WeakPolarHBondContact O-CB 3.34Å; V299-L303 WeakPolarHBondContact O-CG 3.23Å; V299-L303 PolarHBondContact O-N 3.27Å
300L90Very high83.6Confident102 Ų10296.1 Ų96.153%0.53451%0.511SS..Hα-helixtrans-64.2-40176.8-71.7172.2000112.3L296 I297 I298 L303 F304L296-L300 HydrophobicContact CG-CD1 4.41Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.43Å; L296-L300 PolarHBondContact O-N 2.78Å; I297-L300 PolarHBondContact O-N 3.44Å; I298-L300 VanDerWaalsContact C-N 3.35Å; I298-L300 PolarHBondContact O-N 3.44Å; L300-L303 PolarHBondContact O-N 3.08Å; L300-F304 WeakPolarHBondContact O-CB 3.12Å; L300-F304 PolarHBondContact O-N 3.11Å
301L89.4Confident83.5Confident104 Ų104104.3 Ų104.355%0.54553%0.528SS..Hα-helixtrans-65.9-41.5175.2-73.7172.3000112I297 I298 F304 L305I297-L301 HydrophobicContact CG2-CD1 4.04Å; I297-L301 HydrophobicContact CG2-CG 4.43Å; I297-L301 WeakPolarHBondContact O-CG 3.43Å; I297-L301 PolarHBondContact O-N 3.5Å; I298-L301 PolarHBondContact O-N 2.69Å; L301-F304 PolarHBondContact O-N 2.89Å; L301-L305 WeakPolarHBondContact O-CB 2.81Å; L301-L305 WeakPolarHBondContact O-CG 3.31Å; L301-L305 PolarHBondContact O-N 2.73Å
302I89.9Confident82.8Confident94 Ų94110.8 Ų110.848%0.48254%0.54SS..Hα-helixtrans-63.2-46.5175.4-68.4167.7000110.3I298 V299 F304 L305 V306I298-I302 HydrophobicContact CG2-CD1 3.77Å; I298-I302 HydrophobicContact CG2-CG1 4.43Å; I298-I302 VanDerWaalsContact O-CG1 3.27Å; I298-I302 WeakPolarHBondContact O-CG1 3.26Å; I298-I302 PolarHBondContact O-N 2.75Å; V299-I302 PolarHBondContact O-N 3.44Å; I302-F304 VanDerWaalsContact C-N 3.34Å; I302-F304 PolarHBondContact O-N 2.92Å; I302-L305 PolarHBondContact O-N 3.5Å; I302-V306 HydrophobicContact CG2-CG2 4.37Å; I302-V306 VanDerWaalsContact O-CG2 3.3Å; I302-V306 WeakPolarHBondContact O-CG2 3.41Å; I302-V306 PolarHBondContact O-N 3.45Å
303L87.3Confident81.6Confident98 Ų98116.4 Ų116.451%0.51356%0.556SS.*Hα-helixtrans-60.5-43.6176.5-75.8169.4000111.6V299 L300 V306 V307V299-L303 HydrophobicContact CG1-CD1 3.96Å; V299-L303 HydrophobicContact CG1-CG 4.45Å; V299-L303 WeakPolarHBondContact O-CB 3.34Å; V299-L303 WeakPolarHBondContact O-CG 3.23Å; V299-L303 PolarHBondContact O-N 3.27Å; L300-L303 PolarHBondContact O-N 3.08Å; L303-V306 PolarHBondContact O-N 2.93Å; L303-V307 WeakPolarHBondContact O-CB 3.46Å; L303-V307 VanDerWaalsContact O-CG2 3.3Å; L303-V307 WeakPolarHBondContact O-CG2 3.43Å; L303-V307 PolarHBondContact O-N 3.45Å
304F87.8Confident81.5Confident137 Ų137117.4 Ų117.460%0.60156%0.559SS**Hα-helixtrans-60.4-46.5175.8-175.9-95.4000111.7L300 L301 I302 V306 V307 F308L300-F304 WeakPolarHBondContact O-CB 3.12Å; L300-F304 PolarHBondContact O-N 3.11Å; L301-F304 PolarHBondContact O-N 2.89Å; I302-F304 VanDerWaalsContact C-N 3.34Å; I302-F304 PolarHBondContact O-N 2.92Å; F304-V306 PolarHBondContact O-N 2.61Å; F304-V307 PolarHBondContact O-N 2.8Å; F304-F308 WeakPolarHBondContact O-CB 3.49Å; F304-F308 PolarHBondContact O-N 3.11Å
305L84.4Confident81.4Confident103 Ų103121.9 Ų121.954%0.53957%0.572SS.*Hα-helixtrans-61.5-43.7176.2-76.1168.5000112.1L301 I302 F308 V309L301-L305 WeakPolarHBondContact O-CB 2.81Å; L301-L305 WeakPolarHBondContact O-CG 3.31Å; L301-L305 PolarHBondContact O-N 2.73Å; I302-L305 PolarHBondContact O-N 3.5Å; L305-F308 PolarHBondContact O-N 3.37Å; L305-V309 WeakPolarHBondContact O-CB 3.18Å; L305-V309 VanDerWaalsContact O-CG2 3.24Å; L305-V309 WeakPolarHBondContact O-CG2 3.21Å; L305-V309 PolarHBondContact O-N 3.46Å
306V83.6Confident81.1Confident66 Ų66122.4 Ų122.440%0.457%0.57SS.*Hα-helixtrans-62.8-44.2177.6170.40000111.3I302 L303 F304 R310I302-V306 HydrophobicContact CG2-CG2 4.37Å; I302-V306 VanDerWaalsContact O-CG2 3.3Å; I302-V306 WeakPolarHBondContact O-CG2 3.41Å; I302-V306 PolarHBondContact O-N 3.45Å; L303-V306 PolarHBondContact O-N 2.93Å; F304-V306 PolarHBondContact O-N 2.61Å; V306-R310 WeakPolarHBondContact O-CB 3.14Å; V306-R310 WeakPolarHBondContact O-CG 3.17Å; V306-R310 PolarHBondContact O-N 2.99Å
307V81.8Confident80.7Confident79 Ų79123.3 Ų123.348%0.47957%0.571SS.*Hα-helixtrans-65.4-41.8176.6170.90000111L303 F304 R310 R311L303-V307 WeakPolarHBondContact O-CB 3.46Å; L303-V307 VanDerWaalsContact O-CG2 3.3Å; L303-V307 WeakPolarHBondContact O-CG2 3.43Å; L303-V307 PolarHBondContact O-N 3.45Å; F304-V307 PolarHBondContact O-N 2.8Å; V307-R310 PolarHBondContact O-N 3.14Å; V307-R311 PolarHBondContact O-N 3.09Å
308F78.3Confident80.2Confident83 Ų83124.9 Ų124.936%0.36458%0.575SS.*Hα-helixtrans-65.8-42.1179.1-172.3-99.7000112.3F304 L305 R311 R312F304-F308 WeakPolarHBondContact O-CB 3.49Å; F304-F308 PolarHBondContact O-N 3.11Å; L305-F308 PolarHBondContact O-N 3.37Å; F308-R311 PolarHBondContact O-N 3.03Å; F308-R312 VanDerWaalsContact CZ-NE 3.29Å; F308-R312 PolarHBondContact O-N 2.6Å
309V76.3Confident79.6Confident82 Ų82126.7 Ų126.750%0.49758%0.58SS.*Hα-helixtrans-67.5-39.1175.31720000111.3L305 R311 R312 R313L305-V309 WeakPolarHBondContact O-CB 3.18Å; L305-V309 VanDerWaalsContact O-CG2 3.24Å; L305-V309 WeakPolarHBondContact O-CG2 3.21Å; L305-V309 PolarHBondContact O-N 3.46Å; V309-R311 VanDerWaalsContact C-N 3.33Å; V309-R311 PolarHBondContact O-N 3.33Å; V309-R312 PolarHBondContact O-N 3.28Å; V309-R313 PolarHBondContact O-N 3.3Å
310R70.3Confident78.8Confident200 Ų200130.9 Ų130.976%0.75559%0.592SS**Hα-helixtrans-67.2-27.9174.8-81.2-175.4172.5163.2-0.7114V306 V307V306-R310 WeakPolarHBondContact O-CB 3.14Å; V306-R310 WeakPolarHBondContact O-CG 3.17Å; V306-R310 PolarHBondContact O-N 2.99Å; V307-R310 PolarHBondContact O-N 3.14Å
311R68Low77.9Confident215 Ų215133.2 Ų133.281%0.81160%0.597SS**Hα-helixtrans-80.9-15.1174.8-84.7-174.9171.4178-1.5114.1V307 F308 V309V307-R311 PolarHBondContact O-N 3.09Å; F308-R311 PolarHBondContact O-N 3.03Å; V309-R311 VanDerWaalsContact C-N 3.33Å; V309-R311 PolarHBondContact O-N 3.33Å
312R61.8Low77Confident195 Ų195135.6 Ų135.674%0.73660%0.601SS**  trans-102.2-3.6-178.2-82.4-169.5173.2-168.5-1.1114.6F308 V309F308-R312 VanDerWaalsContact CZ-NE 3.29Å; F308-R312 PolarHBondContact O-N 2.6Å; V309-R312 PolarHBondContact O-N 3.28Å
313R54.3Low75.8Confident275 Ų275139.4 Ų139.4100%1.03861%0.612SS**  trans-101.40166.9-80.6-172.3177.9-176.40109.3V309V309-R313 PolarHBondContact O-N 3.3Å

Retrieved 313 of 313 residues in 286.2 ms (Link to these results)