A0A077Z5W9_TRITR Loading...

Chloroplast small heat shock protein

AlphaFold DB , UniProt , Accession A0A077Z5W9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 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
1M39.8Very low41Very low236 Ų236147.3 Ų147.3100%1.16370%0.704SS**  0110.30-67.4157.493.900106.6N3M1-N3 PolarHBondContact O-N 3.43Å
2R40.1Very low41.6Very low228 Ų228142.5 Ų142.586%0.8670%0.698SS**  trans-82.5109.8179.9-78.2178.2174.4165.2-2.2107.4F4R2-F4 PolarHBondContact O-N 3.34Å
3N37.8Very low42Very low159 Ų159132.8 Ų132.885%0.8565%0.654SS**  trans-66.5116.9168.7-87.1-5000108M1 D5M1-N3 PolarHBondContact O-N 3.43Å; N3-D5 PolarHBondContact O-N 3.31Å
4F39Very low42.6Very low179 Ų179125.1 Ų125.179%0.78562%0.617SS**  trans-80105.7169.7-71.2-84.8000107.7R2 L6R2-F4 PolarHBondContact O-N 3.34Å; F4-L6 PolarHBondContact O-N 3.38Å
5D39.9Very low42.7Very low121 Ų121119.9 Ų119.965%0.64761%0.609SS**  trans-82.8102175.3-175.71000108.9N3 S7 P8N3-D5 PolarHBondContact O-N 3.31Å; D5-S7 VanDerWaalsContact C-N 3.27Å; D5-S7 WeakPolarHBondContact OD1-CB 3.14Å; D5-S7 PolarHBondContact OD1-N 3.02Å; D5-S7 VanDerWaalsContact OD1-N 3.13Å; D5-S7 PolarHBondContact OD1-OG 2.96Å; D5-S7 PolarHBondContact OD2-OG 3.23Å; D5-P8 WeakPolarHBondContact O-CD 3.4Å
6L45Very low43.2Very low95 Ų95114.5 Ų114.550%0.49758%0.58SS.*  trans-87.79.7-178.9-61.1178.8000112.9F4 P8 L9 Y10F4-L6 PolarHBondContact O-N 3.38Å; L6-P8 VanDerWaalsContact O-N 3.14Å; L6-L9 HydrophobicContact CD2-CD1 4.46Å; L6-L9 PolarHBondContact O-N 2.99Å; L6-L9 VanDerWaalsContact O-N 3.14Å; L6-Y10 HydrophobicContact CB-CE2 4.06Å; L6-Y10 WeakPolarHBondContact O-CD2 3.47Å; L6-Y10 WeakPolarHBondContact O-CE2 3.49Å
7S40.6Very low43.6Very low66 Ų66116.4 Ų116.446%0.46259%0.592SS.*Hα-helixtrans-52.3-28175.655.40000115.6D5 L9D5-S7 VanDerWaalsContact C-N 3.27Å; D5-S7 WeakPolarHBondContact OD1-CB 3.14Å; D5-S7 PolarHBondContact OD1-N 3.02Å; D5-S7 VanDerWaalsContact OD1-N 3.13Å; D5-S7 PolarHBondContact OD1-OG 2.96Å; D5-S7 PolarHBondContact OD2-OG 3.23Å; S7-L9 PolarHBondContact O-N 2.82Å
8P42.5Very low43.7Very low96 Ų96119.2 Ų119.262%0.62359%0.594SS**Hα-helixtrans-68.3-28.8177-21.334.1000114.6D5 L6D5-P8 WeakPolarHBondContact O-CD 3.4Å; L6-P8 VanDerWaalsContact O-N 3.14Å
9L41.3Very low43.8Very low122 Ų122117.8 Ų117.864%0.63959%0.588SS**Hα-helixtrans-81.5-20.6-177-70.1171.6000113L6 S7L6-L9 HydrophobicContact CD2-CD1 4.46Å; L6-L9 PolarHBondContact O-N 2.99Å; L6-L9 VanDerWaalsContact O-N 3.14Å; S7-L9 PolarHBondContact O-N 2.82Å
10Y42.7Very low43.9Very low119 Ų119115.4 Ų115.447%0.46757%0.574SS.*Hα-helixtrans-76.7-21.5179.4-70-78.1000113.4L6 S12 K239L6-Y10 HydrophobicContact CB-CE2 4.06Å; L6-Y10 WeakPolarHBondContact O-CD2 3.47Å; L6-Y10 WeakPolarHBondContact O-CE2 3.49Å; Y10-S12 VanDerWaalsContact C-N 3.26Å; Y10-S12 PolarHBondContact O-N 2.94Å; Y10-K239 PolarHBondContact OH-NZ 3.23Å
11R42.8Very low44Very low199 Ų199116.2 Ų116.275%0.75158%0.58SS**Hα-helixtrans-71.7-16-173.7-128.7-175.8-156.6-137.34.8114.5
12S47.4Very low43.9Very low90 Ų90112.8 Ų112.863%0.62956%0.561SS**Hα-helixtrans-125.4-6.8-176.963.80000114.5Y10 I14Y10-S12 VanDerWaalsContact C-N 3.26Å; Y10-S12 PolarHBondContact O-N 2.94Å; S12-I14 VanDerWaalsContact C-N 3.32Å; S12-I14 PolarHBondContact O-N 2.99Å
13A47.1Very low44Very low16 Ų16107.7 Ų107.713%0.13255%0.55CS.*Hα-helixtrans-70.9-30.4-171.100000112.2Y47A13-Y47 PolarHBondContact O-OH 3.45Å
14I50Low44.6Very low25 Ų25107.3 Ų107.313%0.12854%0.543CS..  trans-150.8115.7176.2-66.6-166.6000107.7S12 F16 V39 Y47 L241S12-I14 VanDerWaalsContact C-N 3.32Å; S12-I14 PolarHBondContact O-N 2.99Å; I14-F16 HydrophobicContact CB-CD2 4.31Å; I14-F16 HydrophobicContact CG2-CB 3.56Å; I14-F16 HydrophobicContact CG2-CD1 4.28Å; I14-F16 HydrophobicContact CG2-CD2 2.86Å; I14-F16 HydrophobicContact CG2-CE2 3.48Å; I14-F16 VanDerWaalsContact CG2-CE2 3.48Å; I14-F16 HydrophobicContact CG2-CG 3.3Å; I14-F16 HydrophobicContact CG2-CZ 4.45Å; I14-F16 PolarHBondContact O-N 2.92Å; I14-V39 HydrophobicContact CD1-CG1 4.28Å; I14-Y47 HydrophobicContact CD1-CD1 3.54Å; I14-Y47 HydrophobicContact CD1-CE1 3.46Å; I14-Y47 VanDerWaalsContact CD1-CE1 3.46Å; I14-Y47 HydrophobicContact CD1-CG 4.46Å; I14-Y47 HydrophobicContact CG1-CD1 4.03Å; I14-Y47 HydrophobicContact CG1-CE1 3.45Å; I14-Y47 VanDerWaalsContact CG1-CE1 3.45Å; I14-L241 HydrophobicContact CD1-CB 4.33Å; I14-L241 HydrophobicContact CD1-CD1 3.1Å; I14-L241 HydrophobicContact CD1-CD2 4.19Å; I14-L241 HydrophobicContact CD1-CG 4.04Å; I14-L241 HydrophobicContact CG1-CD1 4.28Å
15G44Very low44.8Very low48 Ų48105.5 Ų105.550%0.49554%0.542SS..THydrogen-bonded Turntrans-64.117.917700000115.5
16F51.1Low44.6Very low33 Ų33106.2 Ų106.215%0.14555%0.546CS..Hα-helixtrans-74.4-36.2-178.1-74.6-132.9000110.6I14 R18 L19 F20 Q100I14-F16 HydrophobicContact CB-CD2 4.31Å; I14-F16 HydrophobicContact CG2-CB 3.56Å; I14-F16 HydrophobicContact CG2-CD1 4.28Å; I14-F16 HydrophobicContact CG2-CD2 2.86Å; I14-F16 HydrophobicContact CG2-CE2 3.48Å; I14-F16 VanDerWaalsContact CG2-CE2 3.48Å; I14-F16 HydrophobicContact CG2-CG 3.3Å; I14-F16 HydrophobicContact CG2-CZ 4.45Å; I14-F16 PolarHBondContact O-N 2.92Å; F16-R18 PolarHBondContact O-N 3.01Å; F16-L19 PolarHBondContact O-N 3.5Å; F16-F20 HydrophobicContact CB-CD2 3.72Å; F16-F20 HydrophobicContact CB-CE2 3.51Å; F16-F20 HydrophobicContact CB-CZ 4.47Å; F16-F20 HydrophobicContact CD1-CD2 4.04Å; F16-F20 HydrophobicContact CD1-CE1 4.34Å; F16-F20 AromaticContact CD1-CE2 3.03Å; F16-F20 HydrophobicContact CD1-CE2 3.03Å; F16-F20 AromaticContact CD1-CZ 3.22Å; F16-F20 HydrophobicContact CD1-CZ 3.22Å; F16-F20 HydrophobicContact CD2-CE2 4.2Å; F16-F20 AromaticContact CE1-CE2 3.76Å; F16-F20 HydrophobicContact CE1-CE2 3.76Å; F16-F20 AromaticContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CG-CD2 4.08Å; F16-F20 AromaticContact CG-CE2 3.32Å; F16-F20 HydrophobicContact CG-CE2 3.32Å; F16-F20 HydrophobicContact CG-CZ 4.01Å; F16-F20 WeakPolarHBondContact O-CD2 3.18Å; F16-F20 PolarHBondContact O-N 3.14Å; F16-Q100 WeakPolarHBondContact CE2-O 3.47Å
17D50.6Low44.5Very low147 Ų147109.9 Ų109.979%0.78656%0.56SS**Hα-helixtrans-63.8-21.7-175.3-88.5-3.8000115.3
18R45.5Very low44.4Very low167 Ų167112.3 Ų112.363%0.6358%0.577SS**Hα-helixtrans-103.2-17.5-175.5-66.2-169.3-176.1-164.21.9115.4F16F16-R18 PolarHBondContact O-N 3.01Å
19L45.1Very low44.2Very low93 Ų93117.2 Ų117.249%0.48759%0.592SS.*Hα-helixtrans-103-26-179.1-68.4175000113.2F16 N21 H22 L23F16-L19 PolarHBondContact O-N 3.5Å; L19-N21 VanDerWaalsContact C-N 3.33Å; L19-N21 PolarHBondContact O-N 3.42Å; L19-H22 PolarHBondContact O-N 2.59Å; L19-L23 PolarHBondContact O-N 3.49Å
20F46Very low44Very low68 Ų68116.2 Ų116.230%0.29860%0.595SS.*Hα-helixtrans-64.7-37.1-176.7-83.6-101.3000112.5F16 H22F16-F20 HydrophobicContact CB-CD2 3.72Å; F16-F20 HydrophobicContact CB-CE2 3.51Å; F16-F20 HydrophobicContact CB-CZ 4.47Å; F16-F20 HydrophobicContact CD1-CD2 4.04Å; F16-F20 HydrophobicContact CD1-CE1 4.34Å; F16-F20 AromaticContact CD1-CE2 3.03Å; F16-F20 HydrophobicContact CD1-CE2 3.03Å; F16-F20 AromaticContact CD1-CZ 3.22Å; F16-F20 HydrophobicContact CD1-CZ 3.22Å; F16-F20 HydrophobicContact CD2-CE2 4.2Å; F16-F20 AromaticContact CE1-CE2 3.76Å; F16-F20 HydrophobicContact CE1-CE2 3.76Å; F16-F20 AromaticContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CE1-CZ 3.59Å; F16-F20 HydrophobicContact CG-CD2 4.08Å; F16-F20 AromaticContact CG-CE2 3.32Å; F16-F20 HydrophobicContact CG-CE2 3.32Å; F16-F20 HydrophobicContact CG-CZ 4.01Å; F16-F20 WeakPolarHBondContact O-CD2 3.18Å; F16-F20 PolarHBondContact O-N 3.14Å; F20-H22 VanDerWaalsContact C-N 3.27Å; F20-H22 PolarHBondContact O-N 3.13Å
21N45.4Very low44Very low133 Ų133114.2 Ų114.271%0.71159%0.593SS**Hα-helixtrans-73.7-14.4179.5-70.6-16.2000114.3L19L19-N21 VanDerWaalsContact C-N 3.33Å; L19-N21 PolarHBondContact O-N 3.42Å
22H38.2Very low44.6Very low164 Ų164108 Ų10876%0.75959%0.59SS**Hα-helixtrans-108.3-14.2-173.6-128.1-56.9000115L19 F20L19-H22 PolarHBondContact O-N 2.59Å; F20-H22 VanDerWaalsContact C-N 3.27Å; F20-H22 PolarHBondContact O-N 3.13Å
23L43.3Very low45.9Very low121 Ų121106.1 Ų106.163%0.63459%0.585SS**Hα-helixtrans-112.4-10-177.9-105.1160.6000115L19 N25L19-L23 PolarHBondContact O-N 3.49Å; L23-N25 PolarHBondContact O-N 3.18Å
24E48.6Very low47.8Very low151 Ų151107.2 Ų107.271%0.70659%0.586SS**THydrogen-bonded Turntrans-66-19.7170.4-82.2-173.9156.800112.9
25N43.2Very low49.9Very low141 Ų141106 Ų10675%0.75458%0.58SS**THydrogen-bonded Turntrans-87.3-1.4-175.9-79.3-15.8000115.7L23L23-N25 PolarHBondContact O-N 3.18Å
26N35.9Very low52.3Low136 Ų136106 Ų10673%0.72757%0.571SS**SBendtrans-131.815.1-167.8-108.2-23.2000118.7
27Q43.1Very low54.4Low172 Ų172105.3 Ų105.380%0.80457%0.568SS**SBendtrans-132.794.5161-70.5-161.10.300111.2
28S39.4Very low56.5Low117 Ų11798.7 Ų98.782%0.81853%0.532SS*.  trans43.989.3132.6-48.30000116S30S28-S30 PolarHBondContact O-N 2.79Å
29Q37.1Very low58.9Low200 Ų20091 Ų9194%0.93550%0.503SS*.SBendtrans1.6104.5151.3-64-175.7-15.500115.8
30S37.6Very low61.2Low101 Ų10187.4 Ų87.471%0.70649%0.485SS*.  trans-174.1-32.7135.6-156.20000115.9S28S28-S30 PolarHBondContact O-N 2.79Å
31N43.4Very low63.4Low77 Ų7785.5 Ų85.541%0.41248%0.477SS..  trans-110.471.1-171.1-86.619.4000113G33 R93N31-G33 PolarHBondContact O-N 3.32Å; N31-G33 VanDerWaalsContact O-N 3.15Å; N31-R93 PolarHBondContact OD1-NH1 2.82Å; N31-R93 PolarHBondContact OD1-NH2 2.88Å
32G54Low65.7Low67 Ų6782.4 Ų82.469%0.69146%0.463SS*.  trans-51.2119.7168.600000111Y34G32-Y34 PolarHBondContact O-N 2.77Å
33G75Confident68.3Low51 Ų5178.1 Ų78.153%0.52645%0.446SS..SBendtrans58.2-0.515900000119.1N31 P35 P36 R97N31-G33 PolarHBondContact O-N 3.32Å; N31-G33 VanDerWaalsContact O-N 3.15Å; G33-P35 CarbonylContact O-C 3.51Å; G33-P36 WeakPolarHBondContact O-CA 3Å; G33-R97 PolarHBondContact O-NH2 2.78Å
34Y87.9Confident70.5Confident40 Ų4079.4 Ų79.416%0.15745%0.449CS..  trans-104.5136.6-171.3-177.9-96.8000113G32 A91 R93 F95 R97G32-Y34 PolarHBondContact O-N 2.77Å; Y34-A91 HydrophobicContact CD2-CB 4.27Å; Y34-A91 HydrophobicContact CE1-CB 4.39Å; Y34-A91 HydrophobicContact CE2-CB 4.15Å; Y34-A91 HydrophobicContact CG-CB 4.49Å; Y34-A91 PolarHBondContact OH-O 2.57Å; Y34-R93 HydrophobicContact CD1-CG 4.46Å; Y34-R93 HydrophobicContact CE1-CG 4.23Å; Y34-F95 HydrophobicContact CD1-CB 4.26Å; Y34-F95 HydrophobicContact CE1-CB 4.13Å; Y34-F95 HydrophobicContact CE1-CD1 4.36Å; Y34-R97 PolarHBondContact O-NE 2.86Å
35P93.4Very high72.6Confident0 Ų075.3 Ų75.30%043%0.431CS..SBendcis-71.9150.8-10.8-10.927.1000111G33 I51 A52 F95 R97G33-P35 CarbonylContact O-C 3.51Å; P35-I51 HydrophobicContact CB-CG2 4Å; P35-I51 HydrophobicContact CG-CG2 4.35Å; P35-A52 WeakPolarHBondContact CB-O 3.35Å; P35-F95 VanDerWaalsContact CD-CD2 3.45Å; P35-F95 HydrophobicContact CG-CB 4.16Å; P35-F95 HydrophobicContact CG-CD1 3.66Å; P35-F95 HydrophobicContact CG-CD2 3.57Å; P35-F95 HydrophobicContact CG-CE1 3.87Å; P35-F95 HydrophobicContact CG-CE2 3.81Å; P35-F95 HydrophobicContact CG-CG 3.51Å; P35-F95 HydrophobicContact CG-CZ 3.96Å; P35-R97 PolarHBondContact O-NE 3.29Å; P35-R97 PolarHBondContact O-NH2 2.78Å
36P94Very high75.1Confident48 Ų4870.9 Ų70.931%0.31241%0.406SS..  trans-68151.6175.928.6-31.1000109.4G33 A52 L245G33-P36 WeakPolarHBondContact O-CA 3Å; P36-A52 HydrophobicContact CG-CB 4.07Å; P36-A52 PolarHBondContact O-N 2.66Å; P36-L245 HydrophobicContact CB-CD2 3.98Å; P36-L245 HydrophobicContact CG-CD2 3.94Å; P36-L245 VanDerWaalsContact O-CD2 3.25Å; P36-L245 WeakPolarHBondContact O-CD2 3.41Å
37Y96Very high78Confident18 Ų1864.6 Ų64.67%0.07137%0.372CS..EExtended strand (participates in β ladder)trans-147.3162-177.869.4-86.7000111.3V39 I49 A50 F99 H242 G244Y37-V39 HydrophobicContact CD2-CG2 3.93Å; Y37-V39 HydrophobicContact CE2-CG2 3.76Å; Y37-I49 HydrophobicContact CD2-CG2 4.42Å; Y37-A50 CarbonylContact C-O 3.57Å; Y37-A50 WeakPolarHBondContact CA-O 3.43Å; Y37-A50 VanDerWaalsContact CB-O 3.3Å; Y37-A50 WeakPolarHBondContact CB-O 3.49Å; Y37-F99 HydrophobicContact CD1-CE1 4.09Å; Y37-F99 HydrophobicContact CD1-CZ 4.33Å; Y37-F99 AromaticContact CD2-CE1 3.65Å; Y37-F99 HydrophobicContact CD2-CE1 3.65Å; Y37-F99 HydrophobicContact CD2-CZ 4.32Å; Y37-F99 HydrophobicContact CE1-CE1 4.09Å; Y37-F99 HydrophobicContact CE2-CD1 4.34Å; Y37-F99 AromaticContact CE2-CE1 3.64Å; Y37-F99 HydrophobicContact CE2-CE1 3.64Å; Y37-F99 AromaticContact CG-CE1 3.89Å; Y37-F99 HydrophobicContact CG-CE1 3.89Å; Y37-F99 HydrophobicContact CG-CZ 4.15Å; Y37-F99 AromaticContact CZ-CE1 3.87Å; Y37-H242 AromaticContact CD2-CD2 3.73Å; Y37-H242 AromaticContact CE2-CD2 3.32Å; Y37-H242 WeakPolarHBondContact CE2-CD2 3.36Å; Y37-H242 AromaticContact CE2-NE2 3.85Å; Y37-H242 AromaticContact CZ-CD2 3.75Å; Y37-H242 AromaticContact CZ-NE2 3.78Å; Y37-H242 PolarHBondContact O-CD2 3.02Å; Y37-G244 WeakPolarHBondContact O-CA 3.46Å; Y37-G244 PolarHBondContact O-N 2.87Å
38N95.2Very high80.5Confident8 Ų859.8 Ų59.84%0.04335%0.347CS..EExtended strand (participates in β ladder)trans-119.1158.5166.5-68.1-3000110.1I49 A50 W240 H242 Q243 G244 L245N38-I49 WeakPolarHBondContact O-CA 3.37Å; N38-A50 PolarHBondContact N-O 3.29Å; N38-A50 PolarHBondContact O-N 3.29Å; N38-W240 HydrophobicContact CB-CE3 3.7Å; N38-W240 HydrophobicContact CB-CH2 4.13Å; N38-W240 HydrophobicContact CB-CZ3 3.3Å; N38-W240 VanDerWaalsContact ND2-CH2 3.29Å; N38-W240 WeakPolarHBondContact ND2-CH2 3.28Å; N38-W240 VanDerWaalsContact ND2-CZ3 3.29Å; N38-W240 WeakPolarHBondContact ND2-CZ3 3Å; N38-H242 CarbonylContact C-O 3.58Å; N38-H242 VanDerWaalsContact CA-O 3.32Å; N38-H242 WeakPolarHBondContact CA-O 3.34Å; N38-Q243 VanDerWaalsContact OD1-CA 3.29Å; N38-Q243 WeakPolarHBondContact OD1-CA 3.34Å; N38-G244 PolarHBondContact OD1-N 2.65Å; N38-L245 HydrophobicContact CB-CD1 4.31Å; N38-L245 WeakPolarHBondContact OD1-CB 3.32Å; N38-L245 WeakPolarHBondContact OD1-CG 3.42Å; N38-L245 PolarHBondContact OD1-N 3.33Å
39V94.9Very high83.3Confident4 Ų454.2 Ų54.22%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-124.7118.4166.6-172.10000108.1I14 Y37 R48 I49 L241 H242I14-V39 HydrophobicContact CD1-CG1 4.28Å; Y37-V39 HydrophobicContact CD2-CG2 3.93Å; Y37-V39 HydrophobicContact CE2-CG2 3.76Å; V39-R48 WeakPolarHBondContact CA-O 3.28Å; V39-I49 HydrophobicContact CG2-CG1 4.35Å; V39-L241 HydrophobicContact CB-CB 4.31Å; V39-L241 HydrophobicContact CG1-CB 4.28Å; V39-L241 HydrophobicContact CG1-CD1 4.05Å; V39-L241 PolarHBondContact O-N 2.78Å; V39-H242 HydrophobicContact CB-CB 4.1Å; V39-H242 HydrophobicContact CG2-CB 4.08Å; V39-H242 PolarHBondContact N-O 3.38Å; V39-H242 PolarHBondContact O-N 3.12Å
40E93.4Very high86.1Confident19 Ų1944.9 Ų44.99%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-104.1134.8-177.8-178.9174.3-176.800110V42 Y47 R48 K238 W240E40-V42 HydrophobicContact CG-CG2 4.2Å; E40-Y47 CarbonylContact O-C 3.5Å; E40-Y47 VanDerWaalsContact O-CA 3.28Å; E40-Y47 WeakPolarHBondContact O-CA 3.29Å; E40-R48 HydrophobicContact CB-CB 4.27Å; E40-R48 PolarHBondContact N-O 2.96Å; E40-R48 PolarHBondContact O-N 3.23Å; E40-K238 WeakPolarHBondContact OE1-CD 3.15Å; E40-K238 WeakPolarHBondContact OE1-CE 3.33Å; E40-K238 WeakPolarHBondContact OE1-CG 3.28Å; E40-K238 IonicContact OE1-NZ 2.67Å; E40-K238 PolarHBondContact OE1-NZ 2.82Å; E40-K238 IonicContact OE2-NZ 3.18Å; E40-K238 PolarHBondContact OE2-NZ 2.82Å; E40-W240 HydrophobicContact CB-CE3 4.06Å; E40-W240 HydrophobicContact CB-CZ3 3.84Å; E40-W240 HydrophobicContact CG-CZ3 4.45Å
41L92.9Very high89Confident27 Ų2740.1 Ų40.114%0.14123%0.231CC..EExtended strand (participates in β ladder)trans-89.9102.7165.6-177.667.4000106.9D43 Y47 K239 L241L41-D43 WeakPolarHBondContact CD1-O 3.24Å; L41-D43 WeakPolarHBondContact CG-O 3.47Å; L41-Y47 HydrophobicContact CD1-CD1 3.51Å; L41-Y47 HydrophobicContact CD1-CE1 3.23Å; L41-K239 HydrophobicContact CB-CB 4.31Å; L41-K239 HydrophobicContact CB-CG 4.24Å; L41-K239 HydrophobicContact CD2-CD 3.8Å; L41-K239 HydrophobicContact CD2-CG 4.32Å; L41-K239 PolarHBondContact N-O 3.33Å; L41-L241 HydrophobicContact CB-CD1 3.64Å; L41-L241 HydrophobicContact CB-CD2 4.43Å; L41-L241 HydrophobicContact CB-CG 4Å; L41-L241 HydrophobicContact CD1-CD1 4.38Å
42V93.4Very high91.5Very high69 Ų6937.1 Ų37.142%0.41822%0.218SC..  trans-75.9-47.7-176.4179.40000109.7E40 H46 R48E40-V42 HydrophobicContact CG-CG2 4.2Å; V42-H46 HydrophobicContact CB-CB 4.07Å; V42-H46 HydrophobicContact CG1-CB 4.47Å; V42-H46 PolarHBondContact N-O 2.9Å; V42-R48 HydrophobicContact CG2-CB 3.85Å
43D91.9Very high93.5Very high73 Ų7334 Ų3439%0.3919%0.185SC..SBendtrans-150.6-164.8170.365.543.1000110L41 N45 H46L41-D43 WeakPolarHBondContact CD1-O 3.24Å; L41-D43 WeakPolarHBondContact CG-O 3.47Å; D43-N45 VanDerWaalsContact C-N 3.29Å; D43-N45 PolarHBondContact O-N 3.25Å; D43-N45 PolarHBondContact OD1-N 2.74Å; D43-H46 PolarHBondContact N-O 2.8Å; D43-H46 WeakPolarHBondContact OD1-CB 3.46Å; D43-H46 IonicContact OD1-CG 3.53Å; D43-H46 PolarHBondContact OD1-N 2.81Å; D43-H46 IonicContact OD1-ND1 2.9Å; D43-H46 PolarHBondContact OD1-ND1 2.89Å; D43-H46 IonicContact OD2-CE1 3.68Å; D43-H46 IonicContact OD2-CG 3.56Å; D43-H46 IonicContact OD2-ND1 2.74Å; D43-H46 PolarHBondContact OD2-ND1 2.76Å
44E89.7Confident94.5Very high149 Ų14932.1 Ų32.170%0.69617%0.165SC*.SBendtrans-54.5-45.2-179.9-65.4-175.5171.800112.4R123E44-R123 VanDerWaalsContact C-NH2 3.34Å; E44-R123 PolarHBondContact O-NH1 3.29Å; E44-R123 PolarHBondContact O-NH2 3.27Å
45N93.5Very high94.8Very high65 Ų6531 Ų3135%0.34817%0.165SC..SBendtrans-109.8-7.7-171.8-62-46.4000114D43 R123D43-N45 VanDerWaalsContact C-N 3.29Å; D43-N45 PolarHBondContact O-N 3.25Å; D43-N45 PolarHBondContact OD1-N 2.74Å; N45-R123 PolarHBondContact O-N 2.8Å; N45-R123 PolarHBondContact OD1-NE 3.5Å; N45-R123 PolarHBondContact OD1-NH2 2.82Å
46H95.5Very high94.9Very high48 Ų4831 Ų3122%0.22217%0.166CC..EExtended strand (participates in β ladder)trans-112.5139.7-178.7-59.996000112.3V42 D43 L121V42-H46 HydrophobicContact CB-CB 4.07Å; V42-H46 HydrophobicContact CG1-CB 4.47Å; V42-H46 PolarHBondContact N-O 2.9Å; D43-H46 PolarHBondContact N-O 2.8Å; D43-H46 WeakPolarHBondContact OD1-CB 3.46Å; D43-H46 IonicContact OD1-CG 3.53Å; D43-H46 PolarHBondContact OD1-N 2.81Å; D43-H46 IonicContact OD1-ND1 2.9Å; D43-H46 PolarHBondContact OD1-ND1 2.89Å; D43-H46 IonicContact OD2-CE1 3.68Å; D43-H46 IonicContact OD2-CG 3.56Å; D43-H46 IonicContact OD2-ND1 2.74Å; D43-H46 PolarHBondContact OD2-ND1 2.76Å; H46-L121 WeakPolarHBondContact CA-O 3.34Å
47Y96Very high95Very high3 Ų330 Ų301%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-134.6159.6178.4-47.8-97.2000110A13 I14 E40 L41 I105 L121 R123 L241A13-Y47 PolarHBondContact O-OH 3.45Å; I14-Y47 HydrophobicContact CD1-CD1 3.54Å; I14-Y47 HydrophobicContact CD1-CE1 3.46Å; I14-Y47 VanDerWaalsContact CD1-CE1 3.46Å; I14-Y47 HydrophobicContact CD1-CG 4.46Å; I14-Y47 HydrophobicContact CG1-CD1 4.03Å; I14-Y47 HydrophobicContact CG1-CE1 3.45Å; I14-Y47 VanDerWaalsContact CG1-CE1 3.45Å; E40-Y47 CarbonylContact O-C 3.5Å; E40-Y47 VanDerWaalsContact O-CA 3.28Å; E40-Y47 WeakPolarHBondContact O-CA 3.29Å; L41-Y47 HydrophobicContact CD1-CD1 3.51Å; L41-Y47 HydrophobicContact CD1-CE1 3.23Å; Y47-I105 HydrophobicContact CE2-CD1 4.25Å; Y47-L121 PolarHBondContact N-O 3Å; Y47-L121 PolarHBondContact O-N 3.18Å; Y47-R123 HydrophobicContact CE2-CB 4.06Å; Y47-R123 PolarHBondContact OH-NH1 3.22Å; Y47-L241 HydrophobicContact CD1-CD1 3.75Å; Y47-L241 HydrophobicContact CE1-CD1 4.11Å
48R96.7Very high94.9Very high71 Ų7136.4 Ų36.427%0.26819%0.191SC..EExtended strand (participates in β ladder)trans-139.4126.9177.3174.2172.6-72.6172.4-3110.5V39 E40 V42 Y118 I119 D120V39-R48 WeakPolarHBondContact CA-O 3.28Å; E40-R48 HydrophobicContact CB-CB 4.27Å; E40-R48 PolarHBondContact N-O 2.96Å; E40-R48 PolarHBondContact O-N 3.23Å; V42-R48 HydrophobicContact CG2-CB 3.85Å; R48-Y118 HydrophobicContact CG-CD1 4.04Å; R48-I119 WeakPolarHBondContact CA-O 3.39Å; R48-D120 IonicContact CZ-OD1 3.39Å; R48-D120 IonicContact NE-OD1 2.98Å; R48-D120 PolarHBondContact NE-OD1 3.14Å; R48-D120 IonicContact NH2-OD1 2.84Å; R48-D120 PolarHBondContact NH2-OD1 3.01Å; R48-D120 IonicContact NH2-OD2 3.06Å; R48-D120 PolarHBondContact NH2-OD2 3.12Å
49I97.2Very high94.9Very high0 Ų041.6 Ų41.60%023%0.228CC..EExtended strand (participates in β ladder)trans-92.9130.5166.6-56.2178.8000107.1Y37 N38 V39 I51 L70 F99 Y118 I119 L121Y37-I49 HydrophobicContact CD2-CG2 4.42Å; N38-I49 WeakPolarHBondContact O-CA 3.37Å; V39-I49 HydrophobicContact CG2-CG1 4.35Å; I49-I51 HydrophobicContact CG2-CD1 4.12Å; I49-I51 HydrophobicContact CG2-CG1 3.73Å; I49-L70 HydrophobicContact CD1-CD2 3.94Å; I49-F99 HydrophobicContact CD1-CB 4.2Å; I49-F99 HydrophobicContact CD1-CD1 3.91Å; I49-F99 HydrophobicContact CD1-CD2 4.28Å; I49-F99 HydrophobicContact CD1-CE1 4.34Å; I49-F99 HydrophobicContact CD1-CG 3.87Å; I49-F99 HydrophobicContact CG2-CE1 3.99Å; I49-F99 HydrophobicContact CG2-CE2 4.45Å; I49-F99 HydrophobicContact CG2-CZ 3.92Å; I49-Y118 CarbonylContact O-C 3.6Å; I49-Y118 WeakPolarHBondContact O-CA 3.3Å; I49-I119 HydrophobicContact CB-CB 4.38Å; I49-I119 PolarHBondContact N-O 2.96Å; I49-I119 PolarHBondContact O-N 3.34Å; I49-L121 HydrophobicContact CD1-CD1 3.86Å; I49-L121 HydrophobicContact CG1-CD1 3.98Å
50A96.9Very high95Very high5 Ų543.6 Ų43.64%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-118.3120.2173.200000108.9Y37 N38 L117 Y118 L245Y37-A50 CarbonylContact C-O 3.57Å; Y37-A50 WeakPolarHBondContact CA-O 3.43Å; Y37-A50 VanDerWaalsContact CB-O 3.3Å; Y37-A50 WeakPolarHBondContact CB-O 3.49Å; N38-A50 PolarHBondContact N-O 3.29Å; N38-A50 PolarHBondContact O-N 3.29Å; A50-L117 CarbonylContact C-O 3.59Å; A50-L117 WeakPolarHBondContact CA-O 3.33Å; A50-Y118 HydrophobicContact CB-CD1 3.74Å; A50-Y118 HydrophobicContact CB-CE1 3.71Å; A50-L245 HydrophobicContact CB-CD1 4.1Å
51I97.4Very high95.2Very high0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-117.1128.4-174.8-48177.9000108.8P35 I49 V53 V72 F99 L116 L117 I119P35-I51 HydrophobicContact CB-CG2 4Å; P35-I51 HydrophobicContact CG-CG2 4.35Å; I49-I51 HydrophobicContact CG2-CD1 4.12Å; I49-I51 HydrophobicContact CG2-CG1 3.73Å; I51-V53 HydrophobicContact CB-CG1 4.25Å; I51-V53 HydrophobicContact CG2-CG1 3.77Å; I51-V53 PolarHBondContact O-N 2.84Å; I51-V72 HydrophobicContact CD1-CB 4.23Å; I51-V72 HydrophobicContact CD1-CG1 4.16Å; I51-V72 HydrophobicContact CD1-CG2 3.88Å; I51-F99 HydrophobicContact CD1-CE2 3.65Å; I51-F99 HydrophobicContact CD1-CZ 3.71Å; I51-F99 HydrophobicContact CG1-CZ 4.23Å; I51-L116 WeakPolarHBondContact O-CA 3.32Å; I51-L117 HydrophobicContact CB-CB 4.43Å; I51-L117 HydrophobicContact CD1-CD2 4.49Å; I51-L117 PolarHBondContact N-O 2.79Å; I51-L117 PolarHBondContact O-N 2.8Å; I51-I119 HydrophobicContact CD1-CD1 4.26Å
52A96.3Very high95.4Very high15 Ų1547.8 Ų47.812%0.12426%0.257CS..EExtended strand (participates in β ladder)trans-77.9101.3173.900000110.8P35 P36 L116 A209 L245P35-A52 WeakPolarHBondContact CB-O 3.35Å; P36-A52 HydrophobicContact CG-CB 4.07Å; P36-A52 PolarHBondContact O-N 2.66Å; A52-L116 HydrophobicContact CB-CD2 4.18Å; A52-A209 HydrophobicContact CB-CB 3.62Å; A52-L245 HydrophobicContact CB-CD2 3.38Å
53V96.7Very high95.6Very high0 Ų047.4 Ų47.40%025%0.252CS..  trans-115.938.8179.7-63.40000110I51 G55 F56 L61 F95 L112 G115 L117I51-V53 HydrophobicContact CB-CG1 4.25Å; I51-V53 HydrophobicContact CG2-CG1 3.77Å; I51-V53 PolarHBondContact O-N 2.84Å; V53-G55 PolarHBondContact O-N 3.47Å; V53-F56 HydrophobicContact CB-CB 4.42Å; V53-F56 HydrophobicContact CB-CD2 4.15Å; V53-F56 WeakPolarHBondContact O-CD2 3.34Å; V53-F56 PolarHBondContact O-N 3.44Å; V53-F56 VanDerWaalsContact O-N 3.09Å; V53-L61 HydrophobicContact CB-CD2 4.37Å; V53-L61 HydrophobicContact CG1-CD2 4.39Å; V53-L61 HydrophobicContact CG2-CD1 4.01Å; V53-F95 HydrophobicContact CB-CZ 4.46Å; V53-F95 HydrophobicContact CG1-CE1 3.97Å; V53-F95 HydrophobicContact CG1-CE2 4.4Å; V53-F95 HydrophobicContact CG1-CZ 3.52Å; V53-L112 HydrophobicContact CG2-CD1 3.56Å; V53-G115 CarbonylContact C-O 3.54Å; V53-G115 PolarHBondContact N-O 2.9Å; V53-L117 HydrophobicContact CG1-CB 4.47Å; V53-L117 HydrophobicContact CG2-CB 3.74Å
54A95.8Very high95.9Very high12 Ų1246.6 Ų46.610%0.09925%0.25CC..THydrogen-bonded Turntrans-56.3133.117900000110.6G115 A207 A209 N269 L271A54-G115 PolarHBondContact N-O 2.87Å; A54-A207 HydrophobicContact CB-CB 4.16Å; A54-A209 HydrophobicContact CB-CB 4.04Å; A54-N269 CarbonylContact C-O 3.43Å; A54-N269 VanDerWaalsContact CA-O 3.26Å; A54-N269 WeakPolarHBondContact CA-O 3.28Å; A54-L271 HydrophobicContact CB-CD2 3.89Å; A54-L271 HydrophobicContact CB-CG 4.44Å
55G94.6Very high96Very high17 Ų1742.6 Ų42.618%0.17524%0.242CC..THydrogen-bonded Turntrans96.3-19.8-176.400000114.7V53 H76 N269 L271V53-G55 PolarHBondContact O-N 3.47Å; G55-H76 PolarHBondContact O-CE1 2.78Å; G55-N269 PolarHBondContact N-O 2.97Å; G55-L271 VanDerWaalsContact CA-CD1 3.42Å
56F95.8Very high95.9Very high1 Ų146 Ų460%0.00426%0.256CS..  trans-86.5131.4176.7-66.1-92.7000111.1V53 E60 L61 G74 H76 F95V53-F56 HydrophobicContact CB-CB 4.42Å; V53-F56 HydrophobicContact CB-CD2 4.15Å; V53-F56 WeakPolarHBondContact O-CD2 3.34Å; V53-F56 PolarHBondContact O-N 3.44Å; V53-F56 VanDerWaalsContact O-N 3.09Å; F56-E60 WeakPolarHBondContact CA-OE2 3.09Å; F56-E60 HydrophobicContact CD1-CB 4.2Å; F56-L61 HydrophobicContact CB-CD1 4.37Å; F56-L61 HydrophobicContact CB-CD2 3.79Å; F56-L61 HydrophobicContact CB-CG 4.04Å; F56-L61 HydrophobicContact CD1-CD2 4.24Å; F56-L61 HydrophobicContact CG-CD2 4.05Å; F56-G74 VanDerWaalsContact CE1-C 3.49Å; F56-H76 AromaticContact CD1-CE1 3.72Å; F56-H76 AromaticContact CE1-CD2 3.93Å; F56-H76 AromaticContact CE1-CE1 3.78Å; F56-H76 AromaticContact CE1-NE2 3.62Å; F56-H76 AromaticContact CE2-NE2 3.98Å; F56-H76 AromaticContact CZ-NE2 3.59Å; F56-F95 HydrophobicContact CD1-CE1 4.33Å; F56-F95 AromaticContact CD2-CE1 3.96Å; F56-F95 HydrophobicContact CD2-CE1 3.96Å; F56-F95 HydrophobicContact CE1-CD1 4.23Å; F56-F95 HydrophobicContact CE1-CE1 4.05Å; F56-F95 AromaticContact CE2-CD1 3.86Å; F56-F95 HydrophobicContact CE2-CD1 3.86Å; F56-F95 AromaticContact CE2-CE1 3.65Å; F56-F95 HydrophobicContact CE2-CE1 3.65Å; F56-F95 HydrophobicContact CG-CE1 4.29Å; F56-F95 AromaticContact CZ-CD1 3.65Å; F56-F95 HydrophobicContact CZ-CD1 3.65Å; F56-F95 AromaticContact CZ-CE1 3.7Å; F56-F95 HydrophobicContact CZ-CE1 3.7Å
57A94.5Very high95.6Very high26 Ų2649.8 Ų49.822%0.21528%0.278CS..  trans-77160.3165.500000110.9S59 E60A57-S59 PolarHBondContact O-N 2.88Å; A57-E60 HydrophobicContact CB-CG 4.27Å; A57-E60 PolarHBondContact N-OE2 3.06Å; A57-E60 WeakPolarHBondContact O-CB 3.36Å; A57-E60 PolarHBondContact O-N 2.91Å
58E95.2Very high95.3Very high152 Ų15252.6 Ų52.671%0.7129%0.293SS*.G310 helixtrans-57.4-37.4177.9-173.5176.2177.800112.4E60 L61 L112E58-E60 PolarHBondContact O-N 2.84Å; E58-L61 PolarHBondContact O-N 2.67Å; E58-L112 HydrophobicContact CB-CD2 4.18Å
59S95.7Very high95.1Very high117 Ų11751.8 Ų51.882%0.81829%0.294SS*.G310 helixtrans-69-15.1177.156.90000114.6A57A57-S59 PolarHBondContact O-N 2.88Å
60E95.9Very high95Very high46 Ų4651.8 Ų51.822%0.21529%0.294CS..G310 helixtrans-94.3-0.9178.6-65.1179127.600112.1F56 A57 E58 G74 A75 H76F56-E60 WeakPolarHBondContact CA-OE2 3.09Å; F56-E60 HydrophobicContact CD1-CB 4.2Å; A57-E60 HydrophobicContact CB-CG 4.27Å; A57-E60 PolarHBondContact N-OE2 3.06Å; A57-E60 WeakPolarHBondContact O-CB 3.36Å; A57-E60 PolarHBondContact O-N 2.91Å; E58-E60 PolarHBondContact O-N 2.84Å; E60-G74 WeakPolarHBondContact O-CA 3.29Å; E60-A75 WeakPolarHBondContact CB-O 3.29Å; E60-A75 PolarHBondContact O-N 2.83Å; E60-H76 WeakPolarHBondContact OE1-CA 3.46Å; E60-H76 IonicContact OE1-CG 3.63Å; E60-H76 IonicContact OE1-ND1 3.83Å; E60-H76 PolarHBondContact OE1-ND1 2.81Å; E60-H76 IonicContact OE2-CE1 2.66Å; E60-H76 IonicContact OE2-ND1 3.61Å; E60-H76 PolarHBondContact OE2-ND1 2.94Å
61L97.6Very high95Very high28 Ų2852.2 Ų52.215%0.14730%0.296CS..EExtended strand (participates in β ladder)trans-110133.6-177.9-63.4173.4000110.7V53 F56 E58 K73 F95 L112V53-L61 HydrophobicContact CB-CD2 4.37Å; V53-L61 HydrophobicContact CG1-CD2 4.39Å; V53-L61 HydrophobicContact CG2-CD1 4.01Å; F56-L61 HydrophobicContact CB-CD1 4.37Å; F56-L61 HydrophobicContact CB-CD2 3.79Å; F56-L61 HydrophobicContact CB-CG 4.04Å; F56-L61 HydrophobicContact CD1-CD2 4.24Å; F56-L61 HydrophobicContact CG-CD2 4.05Å; E58-L61 PolarHBondContact O-N 2.67Å; L61-K73 WeakPolarHBondContact CA-O 3.05Å; L61-F95 HydrophobicContact CD2-CE1 4.25Å; L61-F95 HydrophobicContact CD2-CZ 3.91Å; L61-L112 HydrophobicContact CD1-CD1 4.15Å; L61-L112 HydrophobicContact CD1-CD2 4.05Å
62E97.7Very high95Very high107 Ų10752.2 Ų52.250%0.530%0.296SS..EExtended strand (participates in β ladder)trans-121.2130.3174.5-170.2-173168.900109.4T64 V72 K73E62-T64 HydrophobicContact CG-CG2 4.25Å; E62-V72 CarbonylContact O-C 3.56Å; E62-V72 WeakPolarHBondContact O-CA 3.38Å; E62-K73 HydrophobicContact CB-CB 4.34Å; E62-K73 PolarHBondContact N-O 3.14Å; E62-K73 PolarHBondContact O-N 3.44Å
63I98Very high95Very high61 Ų6155.2 Ų55.231%0.31331%0.306SS..EExtended strand (participates in β ladder)trans-122.6119.8177.4-53.3173.4000107.8L70 V71 V72 A110 L117 I119I63-L70 HydrophobicContact CG2-CD1 3.55Å; I63-V71 WeakPolarHBondContact CA-O 3.49Å; I63-V72 HydrophobicContact CG1-CG1 4.48Å; I63-A110 HydrophobicContact CD1-CB 3.57Å; I63-L117 HydrophobicContact CD1-CD1 3.97Å; I63-L117 HydrophobicContact CD1-CD2 3.85Å; I63-L117 HydrophobicContact CD1-CG 4.39Å; I63-L117 HydrophobicContact CG1-CD2 4.28Å; I63-I119 HydrophobicContact CD1-CD1 4.26Å; I63-I119 HydrophobicContact CD1-CG1 4.39Å; I63-I119 HydrophobicContact CG2-CD1 4.3Å
64T97.1Very high95Very high55 Ų5555.3 Ų55.334%0.33731%0.307SS..EExtended strand (participates in β ladder)trans-125138176.952.40000109.6E62 L70 V71E62-T64 HydrophobicContact CG-CG2 4.25Å; T64-L70 CarbonylContact O-C 3.57Å; T64-L70 WeakPolarHBondContact O-CA 3.13Å; T64-V71 PolarHBondContact N-O 2.81Å; T64-V71 PolarHBondContact O-N 3.3Å
65A92.5Very high94.9Very high65 Ų6557.1 Ų57.154%0.53732%0.322SS..EExtended strand (participates in β ladder)trans-128111.9175.500000108.3L69 L70 V107A65-L69 WeakPolarHBondContact CA-O 3.46Å; A65-L70 HydrophobicContact CB-CD1 4.32Å; A65-V107 HydrophobicContact CB-CG2 3.97Å
66Q90.4Very high94.6Very high138 Ų13858.5 Ų58.565%0.64532%0.324SS*.EExtended strand (participates in β ladder)trans-144.8139.7-179.2-175.4-175.1-24.900109.6N68 L69Q66-N68 PolarHBondContact O-N 2.84Å; Q66-L69 PolarHBondContact N-O 2.81Å; Q66-L69 WeakPolarHBondContact O-CA 3.34Å; Q66-L69 WeakPolarHBondContact O-CB 3.44Å; Q66-L69 PolarHBondContact O-N 3.21Å
67D89.5Confident93.7Very high127 Ų12762.7 Ų62.768%0.67936%0.359SS*.THydrogen-bonded Turntrans50.545.2174.3-56.9-37.4000112.7L69D67-L69 PolarHBondContact O-N 3.34Å; D67-L69 VanDerWaalsContact O-N 3.07Å
68N89.3Confident92.4Very high62 Ų6267 Ų6733%0.33238%0.378SS..THydrogen-bonded Turntrans60.514.7-177.1-57.995000114.7Q66 Q100 L101 A102 E103Q66-N68 PolarHBondContact O-N 2.84Å; N68-Q100 PolarHBondContact O-NE2 3.35Å; N68-L101 WeakPolarHBondContact CB-O 3.48Å; N68-L101 WeakPolarHBondContact O-CA 3.38Å; N68-L101 WeakPolarHBondContact O-CB 3.44Å; N68-L101 PolarHBondContact O-N 3.26Å; N68-A102 PolarHBondContact ND2-O 3.37Å; N68-A102 VanDerWaalsContact ND2-O 3.14Å; N68-E103 WeakPolarHBondContact ND2-CA 3.28Å
69L93.7Very high90.8Very high53 Ų5366.3 Ų66.328%0.27738%0.375SS..EExtended strand (participates in β ladder)trans-107.5118.1173.4-171.468.5000109.4A65 Q66 D67 V71 K98A65-L69 WeakPolarHBondContact CA-O 3.46Å; Q66-L69 PolarHBondContact N-O 2.81Å; Q66-L69 WeakPolarHBondContact O-CA 3.34Å; Q66-L69 WeakPolarHBondContact O-CB 3.44Å; Q66-L69 PolarHBondContact O-N 3.21Å; D67-L69 PolarHBondContact O-N 3.34Å; D67-L69 VanDerWaalsContact O-N 3.07Å; L69-V71 HydrophobicContact CD2-CG2 3.83Å; L69-V71 HydrophobicContact CG-CG2 3.85Å; L69-K98 HydrophobicContact CD1-CB 4.13Å; L69-K98 HydrophobicContact CD2-CD 4.3Å
70L95.4Very high88.7Confident0 Ų069.4 Ų69.40%038%0.377CS..EExtended strand (participates in β ladder)trans-92.2120.5168.4171.165.9000108.6I49 I63 T64 A65 V72 K98 F99 L101 V107 I119 L121I49-L70 HydrophobicContact CD1-CD2 3.94Å; I63-L70 HydrophobicContact CG2-CD1 3.55Å; T64-L70 CarbonylContact O-C 3.57Å; T64-L70 WeakPolarHBondContact O-CA 3.13Å; A65-L70 HydrophobicContact CB-CD1 4.32Å; L70-V72 HydrophobicContact CG-CG2 4.41Å; L70-K98 CarbonylContact O-C 3.54Å; L70-K98 WeakPolarHBondContact O-CA 3.21Å; L70-F99 HydrophobicContact CB-CB 4.21Å; L70-F99 HydrophobicContact CD2-CB 4.39Å; L70-F99 HydrophobicContact CD2-CD2 4.1Å; L70-F99 HydrophobicContact CG-CD2 4.21Å; L70-F99 PolarHBondContact N-O 3.34Å; L70-F99 PolarHBondContact O-N 3.03Å; L70-L101 HydrophobicContact CB-CD1 3.95Å; L70-L101 HydrophobicContact CB-CD2 4.25Å; L70-L101 HydrophobicContact CB-CG 4.04Å; L70-V107 HydrophobicContact CD1-CG2 4.03Å; L70-I119 HydrophobicContact CD2-CD1 4.01Å; L70-I119 HydrophobicContact CD2-CG2 4.06Å; L70-L121 HydrophobicContact CD2-CD2 4.47Å
71V95.4Very high87.3Confident15 Ų1574.2 Ų74.29%0.09140%0.397CS..EExtended strand (participates in β ladder)trans-115.5125.8177.4-170.20000108.8I63 T64 L69 K73 E96 R97 K98I63-V71 WeakPolarHBondContact CA-O 3.49Å; T64-V71 PolarHBondContact N-O 2.81Å; T64-V71 PolarHBondContact O-N 3.3Å; L69-V71 HydrophobicContact CD2-CG2 3.83Å; L69-V71 HydrophobicContact CG-CG2 3.85Å; V71-K73 HydrophobicContact CG1-CG 4.05Å; V71-E96 HydrophobicContact CG1-CG 3.76Å; V71-R97 CarbonylContact C-O 3.51Å; V71-R97 WeakPolarHBondContact CA-O 3.34Å; V71-K98 HydrophobicContact CG1-CG 4.17Å; V71-K98 HydrophobicContact CG2-CG 4.14Å
72V97.3Very high86.1Confident0 Ų082.5 Ų82.50%043%0.434CS..EExtended strand (participates in β ladder)trans-115.2121175.4-175.80000107.7I51 E62 I63 L70 F95 E96 R97 F99 L117 I119I51-V72 HydrophobicContact CD1-CB 4.23Å; I51-V72 HydrophobicContact CD1-CG1 4.16Å; I51-V72 HydrophobicContact CD1-CG2 3.88Å; E62-V72 CarbonylContact O-C 3.56Å; E62-V72 WeakPolarHBondContact O-CA 3.38Å; I63-V72 HydrophobicContact CG1-CG1 4.48Å; L70-V72 HydrophobicContact CG-CG2 4.41Å; V72-F95 HydrophobicContact CG1-CE2 4.02Å; V72-F95 HydrophobicContact CG1-CZ 4.41Å; V72-E96 CarbonylContact O-C 3.58Å; V72-E96 WeakPolarHBondContact O-CA 3.33Å; V72-R97 HydrophobicContact CB-CB 4.44Å; V72-R97 PolarHBondContact N-O 2.97Å; V72-R97 PolarHBondContact O-N 3.46Å; V72-F99 HydrophobicContact CG2-CD2 4.46Å; V72-F99 HydrophobicContact CG2-CE2 4.08Å; V72-L117 HydrophobicContact CG1-CD2 3.65Å; V72-I119 HydrophobicContact CG2-CD1 3.56Å
73K97Very high85.5Confident78 Ų7882.9 Ų82.934%0.33943%0.431SS..EExtended strand (participates in β ladder)trans-116.9144.3176.8-52.6-170.5-169.1-148.80109.9L61 E62 V71 F95 E96L61-K73 WeakPolarHBondContact CA-O 3.05Å; E62-K73 HydrophobicContact CB-CB 4.34Å; E62-K73 PolarHBondContact N-O 3.14Å; E62-K73 PolarHBondContact O-N 3.44Å; V71-K73 HydrophobicContact CG1-CG 4.05Å; K73-F95 VanDerWaalsContact CA-O 3.31Å; K73-F95 WeakPolarHBondContact CA-O 3.4Å; K73-E96 WeakPolarHBondContact CE-OE2 3.47Å; K73-E96 HydrophobicContact CG-CB 4.39Å; K73-E96 HydrophobicContact CG-CG 4.11Å; K73-E96 IonicContact NZ-OE2 2.77Å; K73-E96 PolarHBondContact NZ-OE2 3.31Å
74G96.5Very high85.1Confident1 Ų184.2 Ų84.21%0.0144%0.443CS..EExtended strand (participates in β ladder)trans-129.8131.3168.700000109.5F56 E60 N94 F95F56-G74 VanDerWaalsContact CE1-C 3.49Å; E60-G74 WeakPolarHBondContact O-CA 3.29Å; G74-N94 CarbonylContact O-C 3.56Å; G74-N94 VanDerWaalsContact O-CA 3.22Å; G74-N94 WeakPolarHBondContact O-CA 3.37Å; G74-N94 WeakPolarHBondContact O-CB 3.29Å; G74-F95 PolarHBondContact N-O 3.07Å; G74-F95 PolarHBondContact O-N 2.88Å
75A94.8Very high84.9Confident50 Ų5084.7 Ų84.741%0.41344%0.439SS..  trans-141.2127.6176.900000111.3E60 N94E60-A75 WeakPolarHBondContact CB-O 3.29Å; E60-A75 PolarHBondContact O-N 2.83Å; A75-N94 VanDerWaalsContact CA-OD1 3.31Å; A75-N94 WeakPolarHBondContact CA-OD1 3.32Å; A75-N94 HydrophobicContact CB-CB 4.45Å
76H88.2Confident84.9Confident46 Ų4686.3 Ų86.321%0.21344%0.438CS..  trans-76.5134.7173.4-71.1-56000110.3G55 F56 E60 D78 N94G55-H76 PolarHBondContact O-CE1 2.78Å; F56-H76 AromaticContact CD1-CE1 3.72Å; F56-H76 AromaticContact CE1-CD2 3.93Å; F56-H76 AromaticContact CE1-CE1 3.78Å; F56-H76 AromaticContact CE1-NE2 3.62Å; F56-H76 AromaticContact CE2-NE2 3.98Å; F56-H76 AromaticContact CZ-NE2 3.59Å; E60-H76 WeakPolarHBondContact OE1-CA 3.46Å; E60-H76 IonicContact OE1-CG 3.63Å; E60-H76 IonicContact OE1-ND1 3.83Å; E60-H76 PolarHBondContact OE1-ND1 2.81Å; E60-H76 IonicContact OE2-CE1 2.66Å; E60-H76 IonicContact OE2-ND1 3.61Å; E60-H76 PolarHBondContact OE2-ND1 2.94Å; H76-D78 VanDerWaalsContact C-N 3.28Å; H76-D78 PolarHBondContact O-N 3.17Å; H76-N94 PolarHBondContact N-OD1 2.92Å; H76-N94 VanDerWaalsContact N-OD1 3.16Å
77A76.5Confident85Confident90 Ų9084 Ų8474%0.74442%0.424SS*.SBendtrans-66.5-32.8178.800000112.4
78D67.5Low85.1Confident115 Ų11583.1 Ų83.162%0.61542%0.416SS*.  trans-113.862.3-170.1-71.4-18.4000112.2H76 Q80H76-D78 VanDerWaalsContact C-N 3.28Å; H76-D78 PolarHBondContact O-N 3.17Å; D78-Q80 PolarHBondContact O-N 2.82Å
79E61.1Low85.2Confident138 Ų13881.9 Ų81.965%0.64542%0.417SS*.THydrogen-bonded Turntrans-58.8-11.1172.3-72.1-175.616500113.6N94E79-N94 PolarHBondContact OE1-ND2 3.04Å
80Q52.3Low85.1Confident183 Ų18380 Ų8086%0.85541%0.407SS*.THydrogen-bonded Turntrans-94.52.6-161.3-66.71721.200115.8D78 E82D78-Q80 PolarHBondContact O-N 2.82Å; Q80-E82 PolarHBondContact O-N 2.74Å
81K65.6Low84.5Confident147 Ų14781.7 Ų81.764%0.63942%0.422SS*.  trans-81.5102.3172.5-71.1-179.1-175.1168.80108.6R83K81-R83 PolarHBondContact O-N 2.74Å
82E73.1Confident83.9Confident201 Ų20183.6 Ų83.694%0.93943%0.429SS*.  trans-55.3111167.6-75.4-173.6173.300108.9Q80Q80-E82 PolarHBondContact O-N 2.74Å
83R83.6Confident83.4Confident115 Ų11588 Ų8843%0.43445%0.446SS..  trans-108.4134.5175.8-70.2178.3-174.7177.216.7108.9K81 Y85 E92 E195K81-R83 PolarHBondContact O-N 2.74Å; R83-Y85 HydrophobicContact CB-CD2 4.38Å; R83-Y85 HydrophobicContact CB-CE2 3.76Å; R83-Y85 WeakPolarHBondContact CD-OH 3.32Å; R83-E92 IonicContact CZ-OE2 3.57Å; R83-E92 IonicContact NH1-OE1 2.8Å; R83-E92 IonicContact NH1-OE2 2.73Å; R83-E92 PolarHBondContact NH1-OE2 2.84Å; R83-E195 WeakPolarHBondContact CD-OE2 3.43Å; R83-E195 IonicContact NE-OE2 3.64Å; R83-E195 IonicContact NH1-OE2 2.89Å
84T91.1Very high83.3Confident90 Ų9087.1 Ų87.155%0.55245%0.445SS*.EExtended strand (participates in β ladder)trans-90.7109.5173.1-600000108.9K196T84-K196 PolarHBondContact O-N 3.39Å
85Y91.3Very high83.2Confident64 Ų6487.6 Ų87.625%0.25145%0.447SS..EExtended strand (participates in β ladder)trans-90.3126.6174.9-65.7-81000110.4R83 Q88 E92 N193 E195R83-Y85 HydrophobicContact CB-CD2 4.38Å; R83-Y85 HydrophobicContact CB-CE2 3.76Å; R83-Y85 WeakPolarHBondContact CD-OH 3.32Å; Y85-Q88 HydrophobicContact CD1-CB 4.2Å; Y85-Q88 HydrophobicContact CD1-CG 4.18Å; Y85-Q88 HydrophobicContact CE1-CG 4.41Å; Y85-Q88 HydrophobicContact CG-CB 4.13Å; Y85-Q88 HydrophobicContact CG-CG 4.3Å; Y85-E92 VanDerWaalsContact OH-CD 3.26Å; Y85-E92 PolarHBondContact OH-OE1 2.84Å; Y85-E92 PolarHBondContact OH-OE2 3.41Å; Y85-N193 HydrophobicContact CD1-CB 4.16Å; Y85-N193 HydrophobicContact CE1-CB 4.05Å; Y85-E195 HydrophobicContact CD1-CG 3.63Å; Y85-E195 HydrophobicContact CE1-CG 3.44Å; Y85-E195 VanDerWaalsContact CE1-CG 3.44Å
86L92.9Very high83.2Confident99 Ų9989.2 Ų89.252%0.51845%0.446SS..EExtended strand (participates in β ladder)trans-82-30.7164.1-58.4-178.3000110.8I194 K196 Y202L86-I194 HydrophobicContact CB-CB 4.39Å; L86-I194 HydrophobicContact CB-CG2 4.22Å; L86-I194 HydrophobicContact CD1-CG2 4.19Å; L86-I194 PolarHBondContact N-O 3.33Å; L86-K196 HydrophobicContact CD1-CB 4.22Å; L86-K196 HydrophobicContact CD2-CB 4.23Å; L86-K196 HydrophobicContact CG-CB 4.05Å; L86-Y202 HydrophobicContact CD1-CD1 3.86Å; L86-Y202 HydrophobicContact CD1-CE1 3.85Å
87Y92.5Very high83.5Confident90 Ų9089.4 Ų89.435%0.35345%0.445SS..EExtended strand (participates in β ladder)trans-149.9137173177.5-98.5000109.2Y192 N193 I194Y87-Y192 AromaticContact CD1-CD2 3.62Å; Y87-Y192 HydrophobicContact CD1-CD2 3.62Å; Y87-Y192 AromaticContact CD1-CE2 3.28Å; Y87-Y192 HydrophobicContact CD1-CE2 3.28Å; Y87-Y192 HydrophobicContact CD1-CG 4.46Å; Y87-Y192 AromaticContact CD1-CZ 3.9Å; Y87-Y192 WeakPolarHBondContact CD1-O 3.04Å; Y87-Y192 HydrophobicContact CE1-CD1 4.26Å; Y87-Y192 AromaticContact CE1-CD2 3.69Å; Y87-Y192 HydrophobicContact CE1-CD2 3.69Å; Y87-Y192 AromaticContact CE1-CE1 3.94Å; Y87-Y192 HydrophobicContact CE1-CE1 3.94Å; Y87-Y192 AromaticContact CE1-CE2 3.32Å; Y87-Y192 HydrophobicContact CE1-CE2 3.32Å; Y87-Y192 HydrophobicContact CE1-CG 4.14Å; Y87-Y192 AromaticContact CE1-CZ 3.46Å; Y87-Y192 VanDerWaalsContact CE1-CZ 3.46Å; Y87-Y192 WeakPolarHBondContact CE1-O 2.83Å; Y87-Y192 HydrophobicContact CG-CE2 4.2Å; Y87-N193 CarbonylContact O-C 3.57Å; Y87-N193 WeakPolarHBondContact O-CA 3.43Å; Y87-I194 PolarHBondContact N-O 2.79Å; Y87-I194 PolarHBondContact O-N 3.07Å
88Q91.8Very high84.3Confident109 Ų10990.6 Ų90.651%0.50943%0.433SS..EExtended strand (participates in β ladder)trans-131111.7178.7-167.4-179.81700110Y85 N193Y85-Q88 HydrophobicContact CD1-CB 4.2Å; Y85-Q88 HydrophobicContact CD1-CG 4.18Å; Y85-Q88 HydrophobicContact CE1-CG 4.41Å; Y85-Q88 HydrophobicContact CG-CB 4.13Å; Y85-Q88 HydrophobicContact CG-CG 4.3Å; Q88-N193 VanDerWaalsContact CA-OD1 3.26Å; Q88-N193 WeakPolarHBondContact CA-OD1 3.38Å
89G91.7Very high85.6Confident35 Ų3585.3 Ų85.336%0.36140%0.404SS..  trans-118.4-16.9175.200000114P191 Y192 N193G89-P191 WeakPolarHBondContact O-CB 3.42Å; G89-Y192 VanDerWaalsContact CA-O 3.28Å; G89-Y192 WeakPolarHBondContact CA-O 3.36Å; G89-Y192 PolarHBondContact N-O 2.82Å; G89-N193 PolarHBondContact N-OD1 2.8Å
90I90.5Very high87.1Confident14 Ų1482.9 Ų82.97%0.07239%0.393CS..SBendtrans-95.2127.3175.5-54.9165000108.8E92 P191 N193 T205 A207 L271I90-E92 HydrophobicContact CG2-CG 4.37Å; I90-E92 PolarHBondContact O-N 2.72Å; I90-E92 VanDerWaalsContact O-N 3.13Å; I90-P191 HydrophobicContact CG1-CB 4.1Å; I90-P191 HydrophobicContact CG1-CG 4.45Å; I90-P191 WeakPolarHBondContact CG1-O 3.44Å; I90-N193 PolarHBondContact N-OD1 3.31Å; I90-T205 HydrophobicContact CD1-CG2 3.95Å; I90-T205 WeakPolarHBondContact CD1-O 3.22Å; I90-A207 HydrophobicContact CD1-CB 3.84Å; I90-A207 HydrophobicContact CG1-CB 3.95Å; I90-A207 HydrophobicContact CG2-CB 4.26Å; I90-L271 HydrophobicContact CD1-CD2 4.39Å
91A84Confident89Confident36 Ų3674.8 Ų74.830%0.29836%0.356SS..  trans-79.689.4176.200000110.6Y34 R93Y34-A91 HydrophobicContact CD2-CB 4.27Å; Y34-A91 HydrophobicContact CE1-CB 4.39Å; Y34-A91 HydrophobicContact CE2-CB 4.15Å; Y34-A91 HydrophobicContact CG-CB 4.49Å; Y34-A91 PolarHBondContact OH-O 2.57Å; A91-R93 HydrophobicContact CB-CG 4.29Å; A91-R93 PolarHBondContact O-N 2.72Å
92E82.1Confident90.1Very high55 Ų5569 Ų6926%0.25734%0.336SS..  trans-77.640.9177-62.2-175.4-157.500112.8R83 Y85 I90 N193R83-E92 IonicContact CZ-OE2 3.57Å; R83-E92 IonicContact NH1-OE1 2.8Å; R83-E92 IonicContact NH1-OE2 2.73Å; R83-E92 PolarHBondContact NH1-OE2 2.84Å; Y85-E92 VanDerWaalsContact OH-CD 3.26Å; Y85-E92 PolarHBondContact OH-OE1 2.84Å; Y85-E92 PolarHBondContact OH-OE2 3.41Å; I90-E92 HydrophobicContact CG2-CG 4.37Å; I90-E92 PolarHBondContact O-N 2.72Å; I90-E92 VanDerWaalsContact O-N 3.13Å; E92-N193 PolarHBondContact OE1-ND2 2.91Å
93R87.6Confident90.8Very high92 Ų9266.6 Ų66.635%0.34732%0.324SS..  trans-106.1150.9-177.364.8-176.3175.1-179.61.5111.4N31 Y34 A91N31-R93 PolarHBondContact OD1-NH1 2.82Å; N31-R93 PolarHBondContact OD1-NH2 2.88Å; Y34-R93 HydrophobicContact CD1-CG 4.46Å; Y34-R93 HydrophobicContact CE1-CG 4.23Å; A91-R93 HydrophobicContact CB-CG 4.29Å; A91-R93 PolarHBondContact O-N 2.72Å
94N93.8Very high91.1Very high60 Ų6063.6 Ų63.632%0.32132%0.317SS..  trans-56149.5167.6-58.5-12.2000110.2G74 A75 H76 E79G74-N94 CarbonylContact O-C 3.56Å; G74-N94 VanDerWaalsContact O-CA 3.22Å; G74-N94 WeakPolarHBondContact O-CA 3.37Å; G74-N94 WeakPolarHBondContact O-CB 3.29Å; A75-N94 VanDerWaalsContact CA-OD1 3.31Å; A75-N94 WeakPolarHBondContact CA-OD1 3.32Å; A75-N94 HydrophobicContact CB-CB 4.45Å; H76-N94 PolarHBondContact N-OD1 2.92Å; H76-N94 VanDerWaalsContact N-OD1 3.16Å; E79-N94 PolarHBondContact OE1-ND2 3.04Å
95F95.1Very high91.1Very high10 Ų1059.8 Ų59.84%0.04429%0.293CS..EExtended strand (participates in β ladder)trans-139.7157.5-18073.4-93.4000112.1Y34 P35 V53 F56 L61 V72 K73 G74 R97Y34-F95 HydrophobicContact CD1-CB 4.26Å; Y34-F95 HydrophobicContact CE1-CB 4.13Å; Y34-F95 HydrophobicContact CE1-CD1 4.36Å; P35-F95 VanDerWaalsContact CD-CD2 3.45Å; P35-F95 HydrophobicContact CG-CB 4.16Å; P35-F95 HydrophobicContact CG-CD1 3.66Å; P35-F95 HydrophobicContact CG-CD2 3.57Å; P35-F95 HydrophobicContact CG-CE1 3.87Å; P35-F95 HydrophobicContact CG-CE2 3.81Å; P35-F95 HydrophobicContact CG-CG 3.51Å; P35-F95 HydrophobicContact CG-CZ 3.96Å; V53-F95 HydrophobicContact CB-CZ 4.46Å; V53-F95 HydrophobicContact CG1-CE1 3.97Å; V53-F95 HydrophobicContact CG1-CE2 4.4Å; V53-F95 HydrophobicContact CG1-CZ 3.52Å; F56-F95 HydrophobicContact CD1-CE1 4.33Å; F56-F95 AromaticContact CD2-CE1 3.96Å; F56-F95 HydrophobicContact CD2-CE1 3.96Å; F56-F95 HydrophobicContact CE1-CD1 4.23Å; F56-F95 HydrophobicContact CE1-CE1 4.05Å; F56-F95 AromaticContact CE2-CD1 3.86Å; F56-F95 HydrophobicContact CE2-CD1 3.86Å; F56-F95 AromaticContact CE2-CE1 3.65Å; F56-F95 HydrophobicContact CE2-CE1 3.65Å; F56-F95 HydrophobicContact CG-CE1 4.29Å; F56-F95 AromaticContact CZ-CD1 3.65Å; F56-F95 HydrophobicContact CZ-CD1 3.65Å; F56-F95 AromaticContact CZ-CE1 3.7Å; F56-F95 HydrophobicContact CZ-CE1 3.7Å; L61-F95 HydrophobicContact CD2-CE1 4.25Å; L61-F95 HydrophobicContact CD2-CZ 3.91Å; V72-F95 HydrophobicContact CG1-CE2 4.02Å; V72-F95 HydrophobicContact CG1-CZ 4.41Å; K73-F95 VanDerWaalsContact CA-O 3.31Å; K73-F95 WeakPolarHBondContact CA-O 3.4Å; G74-F95 PolarHBondContact N-O 3.07Å; G74-F95 PolarHBondContact O-N 2.88Å; F95-R97 HydrophobicContact CD2-CG 4.32Å
96E95.2Very high91.2Very high85 Ų8561.6 Ų61.640%0.39730%0.304SS..EExtended strand (participates in β ladder)trans-134.2121.2167.5179.5172117.500107.4V71 V72 K73 K98V71-E96 HydrophobicContact CG1-CG 3.76Å; V72-E96 CarbonylContact O-C 3.58Å; V72-E96 WeakPolarHBondContact O-CA 3.33Å; K73-E96 WeakPolarHBondContact CE-OE2 3.47Å; K73-E96 HydrophobicContact CG-CB 4.39Å; K73-E96 HydrophobicContact CG-CG 4.11Å; K73-E96 IonicContact NZ-OE2 2.77Å; K73-E96 PolarHBondContact NZ-OE2 3.31Å; E96-K98 HydrophobicContact CG-CG 4.5Å; E96-K98 WeakPolarHBondContact OE1-CE 3.47Å; E96-K98 IonicContact OE1-NZ 2.74Å; E96-K98 PolarHBondContact OE1-NZ 3Å
97R94.1Very high91.3Very high50 Ų5059.4 Ų59.419%0.18929%0.294CS..EExtended strand (participates in β ladder)trans-113.5133.9173.4-86.4-64.4-159.2175.46.2109.5G33 Y34 P35 V71 V72 F95 F99G33-R97 PolarHBondContact O-NH2 2.78Å; Y34-R97 PolarHBondContact O-NE 2.86Å; P35-R97 PolarHBondContact O-NE 3.29Å; P35-R97 PolarHBondContact O-NH2 2.78Å; V71-R97 CarbonylContact C-O 3.51Å; V71-R97 WeakPolarHBondContact CA-O 3.34Å; V72-R97 HydrophobicContact CB-CB 4.44Å; V72-R97 PolarHBondContact N-O 2.97Å; V72-R97 PolarHBondContact O-N 3.46Å; F95-R97 HydrophobicContact CD2-CG 4.32Å; R97-F99 HydrophobicContact CB-CE2 3.86Å; R97-F99 HydrophobicContact CB-CZ 4.16Å
98K94.5Very high91.5Very high115 Ų11563.2 Ų63.250%0.531%0.308SS..EExtended strand (participates in β ladder)trans-118.8134.1179.2-67.5-177.1172.9150.50109.7L69 L70 V71 E96L69-K98 HydrophobicContact CD1-CB 4.13Å; L69-K98 HydrophobicContact CD2-CD 4.3Å; L70-K98 CarbonylContact O-C 3.54Å; L70-K98 WeakPolarHBondContact O-CA 3.21Å; V71-K98 HydrophobicContact CG1-CG 4.17Å; V71-K98 HydrophobicContact CG2-CG 4.14Å; E96-K98 HydrophobicContact CG-CG 4.5Å; E96-K98 WeakPolarHBondContact OE1-CE 3.47Å; E96-K98 IonicContact OE1-NZ 2.74Å; E96-K98 PolarHBondContact OE1-NZ 3Å
99F94.1Very high91.7Very high3 Ų359.5 Ų59.51%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-125.4120.6175.4-54.3-88.6000108.3Y37 I49 I51 L70 V72 R97 L101Y37-F99 HydrophobicContact CD1-CE1 4.09Å; Y37-F99 HydrophobicContact CD1-CZ 4.33Å; Y37-F99 AromaticContact CD2-CE1 3.65Å; Y37-F99 HydrophobicContact CD2-CE1 3.65Å; Y37-F99 HydrophobicContact CD2-CZ 4.32Å; Y37-F99 HydrophobicContact CE1-CE1 4.09Å; Y37-F99 HydrophobicContact CE2-CD1 4.34Å; Y37-F99 AromaticContact CE2-CE1 3.64Å; Y37-F99 HydrophobicContact CE2-CE1 3.64Å; Y37-F99 AromaticContact CG-CE1 3.89Å; Y37-F99 HydrophobicContact CG-CE1 3.89Å; Y37-F99 HydrophobicContact CG-CZ 4.15Å; Y37-F99 AromaticContact CZ-CE1 3.87Å; I49-F99 HydrophobicContact CD1-CB 4.2Å; I49-F99 HydrophobicContact CD1-CD1 3.91Å; I49-F99 HydrophobicContact CD1-CD2 4.28Å; I49-F99 HydrophobicContact CD1-CE1 4.34Å; I49-F99 HydrophobicContact CD1-CG 3.87Å; I49-F99 HydrophobicContact CG2-CE1 3.99Å; I49-F99 HydrophobicContact CG2-CE2 4.45Å; I49-F99 HydrophobicContact CG2-CZ 3.92Å; I51-F99 HydrophobicContact CD1-CE2 3.65Å; I51-F99 HydrophobicContact CD1-CZ 3.71Å; I51-F99 HydrophobicContact CG1-CZ 4.23Å; L70-F99 HydrophobicContact CB-CB 4.21Å; L70-F99 HydrophobicContact CD2-CB 4.39Å; L70-F99 HydrophobicContact CD2-CD2 4.1Å; L70-F99 HydrophobicContact CG-CD2 4.21Å; L70-F99 PolarHBondContact N-O 3.34Å; L70-F99 PolarHBondContact O-N 3.03Å; V72-F99 HydrophobicContact CG2-CD2 4.46Å; V72-F99 HydrophobicContact CG2-CE2 4.08Å; R97-F99 HydrophobicContact CB-CE2 3.86Å; R97-F99 HydrophobicContact CB-CZ 4.16Å; F99-L101 HydrophobicContact CB-CD2 4.49Å; F99-L101 PolarHBondContact O-N 3.18Å
100Q91.9Very high92Very high88 Ų8860.3 Ų60.341%0.41130%0.302SS..EExtended strand (participates in β ladder)trans-78.3117172-170.56549.300108.6F16 N68F16-Q100 WeakPolarHBondContact CE2-O 3.47Å; N68-Q100 PolarHBondContact O-NE2 3.35Å
101L91.8Very high92.4Very high12 Ų1262.7 Ų62.76%0.06332%0.315CS..PPolyproline II helixtrans-89.9155.3174.5-52.8-174.1000110.1N68 L70 F99 V107 L121N68-L101 WeakPolarHBondContact CB-O 3.48Å; N68-L101 WeakPolarHBondContact O-CA 3.38Å; N68-L101 WeakPolarHBondContact O-CB 3.44Å; N68-L101 PolarHBondContact O-N 3.26Å; L70-L101 HydrophobicContact CB-CD1 3.95Å; L70-L101 HydrophobicContact CB-CD2 4.25Å; L70-L101 HydrophobicContact CB-CG 4.04Å; F99-L101 HydrophobicContact CB-CD2 4.49Å; F99-L101 PolarHBondContact O-N 3.18Å; L101-V107 HydrophobicContact CD1-CG2 4.28Å; L101-L121 HydrophobicContact CD1-CD2 4.46Å; L101-L121 HydrophobicContact CD2-CD1 3.96Å
102A89.2Confident93Very high27 Ų2763.1 Ų63.122%0.22331%0.312CS..PPolyproline II helixtrans-76.1158.8168.900000110.6N68 N104 I105N68-A102 PolarHBondContact ND2-O 3.37Å; N68-A102 VanDerWaalsContact ND2-O 3.14Å; A102-N104 WeakPolarHBondContact CB-OD1 3.42Å; A102-N104 PolarHBondContact O-N 2.89Å; A102-N104 VanDerWaalsContact O-N 3.12Å; A102-I105 HydrophobicContact CB-CB 4.46Å; A102-I105 HydrophobicContact CB-CD1 3.88Å; A102-I105 HydrophobicContact CB-CG1 4.05Å; A102-I105 PolarHBondContact O-N 2.85Å
103E88.3Confident93.7Very high149 Ų14963.5 Ų63.570%0.69632%0.318SS*.THydrogen-bonded Turntrans-52.9-34.5179.5-71.7-177.5-176.800113.8N68N68-E103 WeakPolarHBondContact ND2-CA 3.28Å
104N89.4Confident94Very high53 Ų5362.1 Ų62.128%0.28332%0.318SS..THydrogen-bonded Turntrans-95.72.8-177.764-18.2000114A102 H106 R123 A124A102-N104 WeakPolarHBondContact CB-OD1 3.42Å; A102-N104 PolarHBondContact O-N 2.89Å; A102-N104 VanDerWaalsContact O-N 3.12Å; N104-H106 PolarHBondContact O-ND1 2.78Å; N104-R123 HydrophobicContact CB-CG 4.39Å; N104-R123 WeakPolarHBondContact ND2-CD 3.39Å; N104-R123 VanDerWaalsContact ND2-CG 3.34Å; N104-R123 WeakPolarHBondContact ND2-CG 3.43Å; N104-R123 CarbonylContact O-C 3.17Å; N104-R123 VanDerWaalsContact O-CA 3.32Å; N104-R123 WeakPolarHBondContact O-CA 3.03Å; N104-A124 PolarHBondContact O-N 2.88Å
105I91.9Very high94.1Very high9 Ų959.3 Ų59.35%0.04630%0.303CS..EExtended strand (participates in β ladder)trans-103.9128.5179.8-64.8176.6000109.4Y47 A102 L121 E122 R123Y47-I105 HydrophobicContact CE2-CD1 4.25Å; A102-I105 HydrophobicContact CB-CB 4.46Å; A102-I105 HydrophobicContact CB-CD1 3.88Å; A102-I105 HydrophobicContact CB-CG1 4.05Å; A102-I105 PolarHBondContact O-N 2.85Å; I105-L121 HydrophobicContact CG2-CB 3.81Å; I105-L121 HydrophobicContact CG2-CD1 4.17Å; I105-L121 HydrophobicContact CG2-CG 4.46Å; I105-E122 WeakPolarHBondContact CA-O 2.98Å; I105-R123 HydrophobicContact CG1-CB 4.21Å; I105-R123 HydrophobicContact CG1-CG 4.35Å
106H92.6Very high94.2Very high103 Ų10359.3 Ų59.348%0.47730%0.303SS..EExtended strand (participates in β ladder)trans-127.6151.1-178-5683.9000110.9N104 L121 E122N104-H106 PolarHBondContact O-ND1 2.78Å; H106-L121 CarbonylContact O-C 3.44Å; H106-L121 VanDerWaalsContact O-CA 3.29Å; H106-L121 WeakPolarHBondContact O-CA 3.48Å; H106-E122 PolarHBondContact N-O 2.95Å; H106-E122 PolarHBondContact O-N 2.82Å
107V95.5Very high94.4Very high52 Ų5255.6 Ų55.632%0.31529%0.286SS..EExtended strand (participates in β ladder)trans-75124.3173.5-178.10000109A65 L70 L101 I119 L121A65-V107 HydrophobicContact CB-CG2 3.97Å; L70-V107 HydrophobicContact CD1-CG2 4.03Å; L101-V107 HydrophobicContact CD1-CG2 4.28Å; V107-I119 HydrophobicContact CG1-CG2 3.85Å; V107-I119 HydrophobicContact CG2-CG2 4.42Å; V107-L121 HydrophobicContact CB-CD2 4.31Å; V107-L121 HydrophobicContact CG2-CD2 3.74Å
108R96.2Very high94.6Very high170 Ų17055.5 Ų55.564%0.64229%0.286SS*.EExtended strand (participates in β ladder)trans-91.4-36.8176.9-176.9-179.2173.6-153.9-1.1111.9D120R108-D120 HydrophobicContact CB-CB 4.37Å; R108-D120 PolarHBondContact N-O 3.03Å
109G97Very high94.7Very high31 Ų3150 Ų5032%0.3226%0.262SS..EExtended strand (participates in β ladder)trans-179.7171.9-178.900000111.8D120G109-D120 PolarHBondContact O-N 2.98Å
110A98.2Very high94.9Very high53 Ų5351.4 Ų51.444%0.43827%0.27SS..EExtended strand (participates in β ladder)trans-142.1149.917500000110.3I63 L117 Y118 I119I63-A110 HydrophobicContact CD1-CB 3.57Å; A110-L117 HydrophobicContact CB-CD1 4.35Å; A110-Y118 CarbonylContact C-O 3.49Å; A110-Y118 WeakPolarHBondContact CA-O 3.09Å; A110-Y118 WeakPolarHBondContact CB-O 3.25Å; A110-I119 HydrophobicContact CB-CG1 4.2Å
111N97.6Very high95.2Very high64 Ų6447.7 Ų47.734%0.34225%0.253SS..EExtended strand (participates in β ladder)trans-149.5138.9176.564-69.5000111V113 Y118N111-V113 WeakPolarHBondContact ND2-CG2 3.49Å; N111-Y118 PolarHBondContact N-O 2.94Å; N111-Y118 PolarHBondContact O-N 2.88Å; N111-Y118 WeakPolarHBondContact OD1-CB 3.4Å
112L97.7Very high95.3Very high45 Ų4551.1 Ų51.124%0.23627%0.268CS..EExtended strand (participates in β ladder)trans-100.3122.6177.2-178.865.6000110V53 E58 L61 L117V53-L112 HydrophobicContact CG2-CD1 3.56Å; E58-L112 HydrophobicContact CB-CD2 4.18Å; L61-L112 HydrophobicContact CD1-CD1 4.15Å; L61-L112 HydrophobicContact CD1-CD2 4.05Å; L112-L117 HydrophobicContact CD1-CB 4.24Å
113V95.7Very high95.4Very high63 Ų6352.1 Ų52.138%0.38227%0.266SS..EExtended strand (participates in β ladder)trans-140.5123.2179.7-178.20000109.5N111 G115 L116 Y118N111-V113 WeakPolarHBondContact ND2-CG2 3.49Å; V113-G115 VanDerWaalsContact C-N 3.26Å; V113-G115 PolarHBondContact O-N 3.33Å; V113-L116 PolarHBondContact N-O 2.99Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 3.01Å; V113-Y118 HydrophobicContact CB-CE2 4.15Å
114N95.1Very high95.2Very high63 Ų6347.1 Ų47.134%0.33725%0.25SS..THydrogen-bonded Turntrans51.340.2175.9-56.9-29.4000114.1L116 A209 G210 F211N114-L116 PolarHBondContact O-N 3.18Å; N114-A209 WeakPolarHBondContact O-CA 3.37Å; N114-G210 PolarHBondContact O-N 2.88Å; N114-F211 WeakPolarHBondContact CB-O 3.37Å
115G95.7Very high94.4Very high1 Ų149 Ų491%0.0127%0.273CS..THydrogen-bonded Turntrans74.65.9-177.600000114.9V53 A54 V113 N269V53-G115 CarbonylContact C-O 3.54Å; V53-G115 PolarHBondContact N-O 2.9Å; A54-G115 PolarHBondContact N-O 2.87Å; V113-G115 VanDerWaalsContact C-N 3.26Å; V113-G115 PolarHBondContact O-N 3.33Å; G115-N269 WeakPolarHBondContact CA-O 3.28Å
116L97Very high92.6Very high10 Ų1057 Ų575%0.05230%0.303CS..EExtended strand (participates in β ladder)trans-101.5121.8167.1-70.8176.4000110.3I51 A52 V113 N114 Y118 A209 L245I51-L116 WeakPolarHBondContact O-CA 3.32Å; A52-L116 HydrophobicContact CB-CD2 4.18Å; V113-L116 PolarHBondContact N-O 2.99Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 3.01Å; N114-L116 PolarHBondContact O-N 3.18Å; L116-Y118 HydrophobicContact CB-CD2 4.42Å; L116-Y118 HydrophobicContact CB-CE1 4.49Å; L116-Y118 HydrophobicContact CB-CE2 3.8Å; L116-Y118 HydrophobicContact CD1-CE1 4.44Å; L116-Y118 WeakPolarHBondContact CD1-OH 3.21Å; L116-A209 HydrophobicContact CD2-CB 3.97Å; L116-A209 HydrophobicContact CG-CB 4.25Å; L116-L245 HydrophobicContact CD2-CD1 3.67Å; L116-L245 HydrophobicContact CD2-CD2 4.47Å
117L98.3Very high90.6Very high6 Ų663.2 Ų63.23%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-87115.6167.217664000108.7A50 I51 V53 I63 V72 A110 L112 I119A50-L117 CarbonylContact C-O 3.59Å; A50-L117 WeakPolarHBondContact CA-O 3.33Å; I51-L117 HydrophobicContact CB-CB 4.43Å; I51-L117 HydrophobicContact CD1-CD2 4.49Å; I51-L117 PolarHBondContact N-O 2.79Å; I51-L117 PolarHBondContact O-N 2.8Å; V53-L117 HydrophobicContact CG1-CB 4.47Å; V53-L117 HydrophobicContact CG2-CB 3.74Å; I63-L117 HydrophobicContact CD1-CD1 3.97Å; I63-L117 HydrophobicContact CD1-CD2 3.85Å; I63-L117 HydrophobicContact CD1-CG 4.39Å; I63-L117 HydrophobicContact CG1-CD2 4.28Å; V72-L117 HydrophobicContact CG1-CD2 3.65Å; A110-L117 HydrophobicContact CB-CD1 4.35Å; L112-L117 HydrophobicContact CD1-CB 4.24Å; L117-I119 HydrophobicContact CD2-CD1 4.21Å; L117-I119 HydrophobicContact CD2-CG1 4.39Å; L117-I119 HydrophobicContact CG-CD1 4.5Å; L117-I119 HydrophobicContact CG-CG1 4.16Å
118Y98.3Very high88.3Confident49 Ų4963.6 Ų63.619%0.19234%0.337CS..EExtended strand (participates in β ladder)trans-95.6133.6171.9-61.9-76.1000109.7R48 I49 A50 A110 N111 V113 L116R48-Y118 HydrophobicContact CG-CD1 4.04Å; I49-Y118 CarbonylContact O-C 3.6Å; I49-Y118 WeakPolarHBondContact O-CA 3.3Å; A50-Y118 HydrophobicContact CB-CD1 3.74Å; A50-Y118 HydrophobicContact CB-CE1 3.71Å; A110-Y118 CarbonylContact C-O 3.49Å; A110-Y118 WeakPolarHBondContact CA-O 3.09Å; A110-Y118 WeakPolarHBondContact CB-O 3.25Å; N111-Y118 PolarHBondContact N-O 2.94Å; N111-Y118 PolarHBondContact O-N 2.88Å; N111-Y118 WeakPolarHBondContact OD1-CB 3.4Å; V113-Y118 HydrophobicContact CB-CE2 4.15Å; L116-Y118 HydrophobicContact CB-CD2 4.42Å; L116-Y118 HydrophobicContact CB-CE1 4.49Å; L116-Y118 HydrophobicContact CB-CE2 3.8Å; L116-Y118 HydrophobicContact CD1-CE1 4.44Å; L116-Y118 WeakPolarHBondContact CD1-OH 3.21Å
119I98.4Very high86Confident0 Ų061.2 Ų61.20%034%0.336CS..EExtended strand (participates in β ladder)trans-124.7113.6173.5-54.8176.9000107.3R48 I49 I51 I63 L70 V72 V107 A110 L117 L121R48-I119 WeakPolarHBondContact CA-O 3.39Å; I49-I119 HydrophobicContact CB-CB 4.38Å; I49-I119 PolarHBondContact N-O 2.96Å; I49-I119 PolarHBondContact O-N 3.34Å; I51-I119 HydrophobicContact CD1-CD1 4.26Å; I63-I119 HydrophobicContact CD1-CD1 4.26Å; I63-I119 HydrophobicContact CD1-CG1 4.39Å; I63-I119 HydrophobicContact CG2-CD1 4.3Å; L70-I119 HydrophobicContact CD2-CD1 4.01Å; L70-I119 HydrophobicContact CD2-CG2 4.06Å; V72-I119 HydrophobicContact CG2-CD1 3.56Å; V107-I119 HydrophobicContact CG1-CG2 3.85Å; V107-I119 HydrophobicContact CG2-CG2 4.42Å; A110-I119 HydrophobicContact CB-CG1 4.2Å; L117-I119 HydrophobicContact CD2-CD1 4.21Å; L117-I119 HydrophobicContact CD2-CG1 4.39Å; L117-I119 HydrophobicContact CG-CD1 4.5Å; L117-I119 HydrophobicContact CG-CG1 4.16Å; I119-L121 HydrophobicContact CG2-CD2 3.93Å
120D98Very high83.1Confident32 Ų3266 Ų6617%0.17136%0.359CS..EExtended strand (participates in β ladder)trans-86.1128.7178.9-74-25.7000109.8R48 R108 G109R48-D120 IonicContact CZ-OD1 3.39Å; R48-D120 IonicContact NE-OD1 2.98Å; R48-D120 PolarHBondContact NE-OD1 3.14Å; R48-D120 IonicContact NH2-OD1 2.84Å; R48-D120 PolarHBondContact NH2-OD1 3.01Å; R48-D120 IonicContact NH2-OD2 3.06Å; R48-D120 PolarHBondContact NH2-OD2 3.12Å; R108-D120 HydrophobicContact CB-CB 4.37Å; R108-D120 PolarHBondContact N-O 3.03Å; G109-D120 PolarHBondContact O-N 2.98Å
121L96.7Very high80.1Confident9 Ų967 Ų675%0.04736%0.363CS..EExtended strand (participates in β ladder)trans-119.1142.3179.8-49.3174.9000109.8H46 Y47 I49 L70 L101 I105 H106 V107 I119H46-L121 WeakPolarHBondContact CA-O 3.34Å; Y47-L121 PolarHBondContact N-O 3Å; Y47-L121 PolarHBondContact O-N 3.18Å; I49-L121 HydrophobicContact CD1-CD1 3.86Å; I49-L121 HydrophobicContact CG1-CD1 3.98Å; L70-L121 HydrophobicContact CD2-CD2 4.47Å; L101-L121 HydrophobicContact CD1-CD2 4.46Å; L101-L121 HydrophobicContact CD2-CD1 3.96Å; I105-L121 HydrophobicContact CG2-CB 3.81Å; I105-L121 HydrophobicContact CG2-CD1 4.17Å; I105-L121 HydrophobicContact CG2-CG 4.46Å; H106-L121 CarbonylContact O-C 3.44Å; H106-L121 VanDerWaalsContact O-CA 3.29Å; H106-L121 WeakPolarHBondContact O-CA 3.48Å; V107-L121 HydrophobicContact CB-CD2 4.31Å; V107-L121 HydrophobicContact CG2-CD2 3.74Å; I119-L121 HydrophobicContact CG2-CD2 3.93Å
122E94.8Very high77.3Confident85 Ų8569.5 Ų69.540%0.39738%0.383SS..EExtended strand (participates in β ladder)trans-126134.5177.8-174.9179.1175.300110.1I105 H106I105-E122 WeakPolarHBondContact CA-O 2.98Å; H106-E122 PolarHBondContact N-O 2.95Å; H106-E122 PolarHBondContact O-N 2.82Å
123R91.9Very high74.1Confident48 Ų4873.3 Ų73.318%0.18141%0.412CS..EExtended strand (participates in β ladder)trans-88.9111.9172.3-176.1175.362.2-149.13110.1E44 N45 Y47 N104 I105 A125E44-R123 VanDerWaalsContact C-NH2 3.34Å; E44-R123 PolarHBondContact O-NH1 3.29Å; E44-R123 PolarHBondContact O-NH2 3.27Å; N45-R123 PolarHBondContact O-N 2.8Å; N45-R123 PolarHBondContact OD1-NE 3.5Å; N45-R123 PolarHBondContact OD1-NH2 2.82Å; Y47-R123 HydrophobicContact CE2-CB 4.06Å; Y47-R123 PolarHBondContact OH-NH1 3.22Å; N104-R123 HydrophobicContact CB-CG 4.39Å; N104-R123 WeakPolarHBondContact ND2-CD 3.39Å; N104-R123 VanDerWaalsContact ND2-CG 3.34Å; N104-R123 WeakPolarHBondContact ND2-CG 3.43Å; N104-R123 CarbonylContact O-C 3.17Å; N104-R123 VanDerWaalsContact O-CA 3.32Å; N104-R123 WeakPolarHBondContact O-CA 3.03Å; I105-R123 HydrophobicContact CG1-CB 4.21Å; I105-R123 HydrophobicContact CG1-CG 4.35Å; R123-A125 PolarHBondContact O-N 2.93Å
124A84.2Confident71.2Confident43 Ų4375.1 Ų75.136%0.35543%0.428SS..  trans-67.8129.9169.600000110.1N104 W126N104-A124 PolarHBondContact O-N 2.88Å; A124-W126 PolarHBondContact O-N 3.22Å
125A72.7Confident68.9Low93 Ų9378.4 Ų78.477%0.76945%0.452SS*.  trans-70.4111.6168.600000108.7R123 R127R123-A125 PolarHBondContact O-N 2.93Å; A125-R127 PolarHBondContact O-N 2.89Å
126W53.6Low66.1Low176 Ų17683.5 Ų83.567%0.66749%0.487SS*.  trans-68.7100.7168.2-163.51.8000107.6A124 G128 L129A124-W126 PolarHBondContact O-N 3.22Å; W126-G128 PolarHBondContact O-N 3.3Å; W126-L129 HydrophobicContact CZ2-CB 4.09Å; W126-L129 HydrophobicContact CZ2-CD1 3.56Å; W126-L129 HydrophobicContact CZ2-CG 4.31Å
127R49.5Very low63.4Low235 Ų23587 Ų8789%0.88753%0.527SS*.  trans-56.8111.7163.6-82.3179.9129128-2.3106A125 L129A125-R127 PolarHBondContact O-N 2.89Å; R127-L129 PolarHBondContact O-N 3.33Å
128G47.1Very low60.5Low60 Ų6091.7 Ų91.762%0.61956%0.559SS**  trans-41.6113.6-169.400000112.1W126 T130W126-G128 PolarHBondContact O-N 3.3Å; G128-T130 PolarHBondContact O-N 2.78Å
129L48.1Very low57.3Low119 Ų11997 Ų9762%0.62359%0.589SS**  trans-65.678.8151.3-87.8166.4000106.3W126 R127 S131W126-L129 HydrophobicContact CZ2-CB 4.09Å; W126-L129 HydrophobicContact CZ2-CD1 3.56Å; W126-L129 HydrophobicContact CZ2-CG 4.31Å; R127-L129 PolarHBondContact O-N 3.33Å; L129-S131 PolarHBondContact O-N 2.83Å
130T36.3Very low53.9Low131 Ų131102.9 Ų102.980%0.80463%0.629SS**  trans-72.271.4155.358.90000106.4G128 P132G128-T130 PolarHBondContact O-N 2.78Å; T130-P132 WeakPolarHBondContact O-CD 3.27Å
131S35.5Very low50.7Low75 Ų75110 Ų11052%0.52466%0.662SS.*  trans-93.2106.8155.439.60000105.2L129 C133L129-S131 PolarHBondContact O-N 2.83Å; S131-C133 PolarHBondContact O-N 3.25Å
132P39.7Very low47.7Very low117 Ų117115 Ų11576%0.7670%0.697SS**  trans-60.6112.4174.7-12.526.1000107.1T130 S134T130-P132 WeakPolarHBondContact O-CD 3.27Å; P132-S134 VanDerWaalsContact C-N 3.31Å; P132-S134 PolarHBondContact O-N 2.77Å
133C28.8Very low44.8Very low125 Ų125116.3 Ų116.385%0.84572%0.716SS**  trans-62.6101.4163.4-72.60000106.8S131S131-C133 PolarHBondContact O-N 3.25Å
134S35.3Very low41.8Very low101 Ų101120.7 Ų120.771%0.70674%0.743SS**  trans-59130.6164.5-72.70000108.2P132 S136P132-S134 VanDerWaalsContact C-N 3.31Å; P132-S134 PolarHBondContact O-N 2.77Å; S134-S136 PolarHBondContact O-N 2.68Å
135P46.7Very low39.3Very low132 Ų132126.4 Ų126.486%0.85777%0.767SS**  trans-76.995.9-178.730.9-31.3000108.4
136S38Very low37.2Very low107 Ų107130.2 Ų130.275%0.74877%0.768SS**  trans-113101.6158.758.90000107.2S134 S138S134-S136 PolarHBondContact O-N 2.68Å; S136-S138 PolarHBondContact O-N 2.67Å
137G39Very low36.1Very low85 Ų85127.3 Ų127.388%0.87677%0.77SS**  trans-57.7134.2-177.200000112.4
138S37.4Very low35.1Very low103 Ų103124.1 Ų124.172%0.7277%0.77SS**  trans-141.7118.4151.854.90000106.8S136 C140S136-S138 PolarHBondContact O-N 2.67Å; S138-C140 PolarHBondContact O-N 3.05Å
139I31.2Very low34.3Very low160 Ų160126.8 Ų126.882%0.82177%0.774SS**  trans-59.4117.9178.7-63.7154000107.8E141I139-E141 HydrophobicContact CG2-CG 4.31Å
140C27.5Very low33.3Very low124 Ų124132.5 Ų132.584%0.83879%0.787SS**  trans-94.8100.1166.6-75.20000107.7S138 S142S138-C140 PolarHBondContact O-N 3.05Å; C140-S142 PolarHBondContact O-N 2.86Å
141E31.9Very low32.9Very low182 Ų182135.4 Ų135.485%0.8579%0.789SS**  trans-63.3123.5169.4-80.5175.1141.700110I139I139-E141 HydrophobicContact CG2-CG 4.31Å
142S32.2Very low32.8Very low113 Ų113139.9 Ų139.979%0.7981%0.806SS**  trans-86.7113.1168.955.60000109.1C140C140-S142 PolarHBondContact O-N 2.86Å
143S33.7Very low32.2Very low114 Ų114143.7 Ų143.780%0.79781%0.814SS**  trans-97.3122.1171.932.80000110.7
144D30.6Very low32.3Very low140 Ų140141.1 Ų141.175%0.74981%0.808SS**  trans-56.4124.2178.5-68.9-49.8000113
145L30.7Very low32.1Very low163 Ų163145.4 Ų145.485%0.85382%0.817SS**  trans-107.487.4163.9-85.8166.1000109.2
146Q29Very low31.3Very low172 Ų172147.6 Ų147.680%0.80482%0.818SS**  trans-87.1106163.9-68.6179.662.300108.4
147V30.5Very low31Very low115 Ų115148.6 Ų148.670%0.69782%0.82SS**  trans-110.2108.7169.7179.80000108.3T149V147-T149 PolarHBondContact O-N 2.82Å
148L27.5Very low30.6Very low169 Ų169153.1 Ų153.189%0.88582%0.821SS**  trans-75.6106172.7-90.4152.2000109.6
149T30.1Very low30.5Very low115 Ų115158.6 Ų158.671%0.70683%0.825SS**  trans-89113.7169.2-54.60000109.3V147V147-T149 PolarHBondContact O-N 2.82Å
150R28Very low30.7Very low240 Ų240158.7 Ų158.791%0.90683%0.827SS**  trans-87.3112.1-179.5-151.3173.5179.2-178.2-1.5108.2
151F28.3Very low31.2Very low191 Ų191161.8 Ų161.884%0.83883%0.827SS**PPolyproline II helixtrans-72.7130.5176.1-94.9-98.3000110.5
152L32.1Very low31.5Very low169 Ų169159.1 Ų159.189%0.88582%0.819SS**PPolyproline II helixtrans-101.3119.3165.1-76.1172.6000108
153E27.2Very low32.2Very low198 Ų198160.7 Ų160.793%0.92582%0.818SS**PPolyproline II helixtrans-70.3124.4171-68.9169.7160.200109.2
154G32.4Very low32.8Very low70 Ų70158.6 Ų158.672%0.72280%0.803SS**  trans-137.294.4171.500000108.9M156G154-M156 PolarHBondContact O-N 3.05Å
155E29.2Very low33.3Very low192 Ų192157.5 Ų157.590%0.89780%0.803SS**  trans-63.1116.5173.6-71.5177.5137.900110.4
156M31.7Very low34.2Very low177 Ų177157.2 Ų157.287%0.87280%0.802SS**  trans-112.6104.8166.6-80.1-78.7-78.300108.4G154 M158G154-M156 PolarHBondContact O-N 3.05Å; M156-M158 PolarHBondContact O-N 3.44Å
157T31.6Very low35.1Very low129 Ų129156.9 Ų156.979%0.79180%0.802SS**  trans-77.7102.5176.246.90000109.5R159T157-R159 PolarHBondContact O-N 2.72Å
158M30.5Very low36Very low180 Ų180162.9 Ų162.989%0.88781%0.812SS**PPolyproline II helixtrans-76.4120.4171.1-82.7-165.6-84.700110.1M156 N160M156-M158 PolarHBondContact O-N 3.44Å; M158-N160 PolarHBondContact O-N 3.15Å
159R34.4Very low36.9Very low218 Ų218163.1 Ų163.182%0.82381%0.809SS**PPolyproline II helixtrans-74.2118.5176.7-67.8177.2176.2173.7-1.9109.4T157 F161T157-R159 PolarHBondContact O-N 2.72Å; R159-F161 PolarHBondContact O-N 3.12Å
160N34.7Very low37.4Very low161 Ų161164.7 Ų164.786%0.86180%0.802SS**PPolyproline II helixtrans-66.7118.9168.6-79.3-15.7000109.8M158M158-N160 PolarHBondContact O-N 3.15Å
161F38.6Very low38.6Very low189 Ų189158.3 Ų158.383%0.82979%0.785SS**PPolyproline II helixtrans-89.1116.6164.3-74.9-83.3000108.6R159R159-F161 PolarHBondContact O-N 3.12Å
162D39Very low39.7Very low127 Ų127151 Ų15168%0.67976%0.763SS**  trans-86.8106.5179.5-176.74.1000110S164D162-S164 VanDerWaalsContact C-N 3.33Å; D162-S164 WeakPolarHBondContact OD1-CB 3.42Å; D162-S164 PolarHBondContact OD1-N 3.42Å; D162-S164 VanDerWaalsContact OD1-N 3.08Å; D162-S164 PolarHBondContact OD1-OG 2.65Å; D162-S164 PolarHBondContact OD2-OG 3.24Å
163L46Very low40.7Very low146 Ų146151 Ų15176%0.76476%0.757SS**  trans-9627.2177.2-64.4177.8000112.7P165L163-P165 WeakPolarHBondContact O-CD 3.35Å
164S46.3Very low41.9Very low70 Ų70147.2 Ų147.249%0.4974%0.743SS.*G310 helixtrans-60-16.4-178.750.10000118.5D162 L166D162-S164 VanDerWaalsContact C-N 3.33Å; D162-S164 WeakPolarHBondContact OD1-CB 3.42Å; D162-S164 PolarHBondContact OD1-N 3.42Å; D162-S164 VanDerWaalsContact OD1-N 3.08Å; D162-S164 PolarHBondContact OD1-OG 2.65Å; D162-S164 PolarHBondContact OD2-OG 3.24Å; S164-L166 PolarHBondContact O-N 2.81Å
165P40.9Very low42.9Very low116 Ų116148.6 Ų148.675%0.75373%0.728SS**G310 helixtrans-79.1-16.2-176-18.632.5000117L163L163-P165 WeakPolarHBondContact O-CD 3.35Å
166L50.3Low43.9Very low158 Ų158143.8 Ų143.883%0.82771%0.708SS**G310 helixtrans-107.62.4-171.2-122.1144.7000115.2S164S164-L166 PolarHBondContact O-N 2.81Å
167M47.9Very low44.7Very low165 Ų165138.1 Ų138.181%0.81369%0.69SS**  trans-101.832.9-175.8-80.2-134.8-72.500115.3
168R48.5Very low45.6Very low241 Ų241137.5 Ų137.591%0.90968%0.682SS**SBendtrans-96.62.5177.9-72.2-167.4-179.1-1521.1116
169Q46.3Very low46.6Very low174 Ų174131.8 Ų131.881%0.81366%0.663SS**SBendtrans-136.130-175.1-149.1173.8-3.700115.9
170W41.9Very low47Very low147 Ų147127.9 Ų127.956%0.55766%0.658SS**SBendtrans-137.5115.8174.8-64.990.4000111.9Y202W170-Y202 WeakPolarHBondContact CZ3-OH 3.26Å
171I53.1Low47.7Very low107 Ų107128.1 Ų128.155%0.54965%0.654SS.*SBendtrans26.6110.3153.6-53.6171.2000116.1M260I171-M260 HydrophobicContact CD1-CE 4.23Å; I171-M260 HydrophobicContact CD1-SD 4.36Å
172G51.1Low47.8Very low37 Ų37125.5 Ų125.538%0.38165%0.648SS.*  trans124.926.215000000118.5D174 K175G172-D174 PolarHBondContact O-N 2.98Å; G172-D174 VanDerWaalsContact O-N 3.12Å; G172-K175 WeakPolarHBondContact O-CB 3.48Å; G172-K175 PolarHBondContact O-N 3.38Å
173F52.6Low47.8Very low170 Ų170123.5 Ų123.575%0.74665%0.65SS**Hα-helixtrans-60.2-20.1170.2-150.7-93.6000112.6K175 L176F173-K175 VanDerWaalsContact C-N 3.27Å; F173-K175 PolarHBondContact O-N 2.93Å; F173-L176 HydrophobicContact CD2-CD1 3.91Å; F173-L176 HydrophobicContact CE1-CD1 4.37Å; F173-L176 HydrophobicContact CE2-CD1 3.51Å; F173-L176 HydrophobicContact CZ-CD1 3.78Å; F173-L176 WeakPolarHBondContact O-CB 3.43Å; F173-L176 PolarHBondContact O-N 3.38Å
174D52.6Low47.2Very low118 Ų118118.9 Ų118.963%0.63164%0.637SS**Hα-helixtrans-68.7-23.4170.9-61.4-31.1000113G172 L176 A177 N178G172-D174 PolarHBondContact O-N 2.98Å; G172-D174 VanDerWaalsContact O-N 3.12Å; D174-L176 PolarHBondContact O-N 3.03Å; D174-A177 PolarHBondContact O-N 2.93Å; D174-N178 PolarHBondContact O-N 3.09Å
175K52.8Low47Very low98 Ų98125.3 Ų125.343%0.42666%0.66SS.*Hα-helixtrans-67.7-24.4169.3-71.6-169.6177.6-175.40111.5G172 F173 A177 A179 Y192G172-K175 WeakPolarHBondContact O-CB 3.48Å; G172-K175 PolarHBondContact O-N 3.38Å; F173-K175 VanDerWaalsContact C-N 3.27Å; F173-K175 PolarHBondContact O-N 2.93Å; K175-A177 VanDerWaalsContact C-N 3.34Å; K175-A179 WeakPolarHBondContact O-CB 3.31Å; K175-A179 PolarHBondContact O-N 2.85Å; K175-Y192 PolarHBondContact NZ-OH 3.09Å
176L50.8Low47.5Very low91 Ų91124.7 Ų124.748%0.47666%0.658SS.*Hα-helixtrans-67.6-37.2173.1-120.2159.3000110.9F173 D174 L180F173-L176 HydrophobicContact CD2-CD1 3.91Å; F173-L176 HydrophobicContact CE1-CD1 4.37Å; F173-L176 HydrophobicContact CE2-CD1 3.51Å; F173-L176 HydrophobicContact CZ-CD1 3.78Å; F173-L176 WeakPolarHBondContact O-CB 3.43Å; F173-L176 PolarHBondContact O-N 3.38Å; D174-L176 PolarHBondContact O-N 3.03Å; L176-L180 WeakPolarHBondContact O-CB 3.04Å; L176-L180 PolarHBondContact O-N 3.32Å; L176-L180 VanDerWaalsContact O-N 3.09Å
177A49.2Very low47.9Very low58 Ų58125.9 Ų125.948%0.47966%0.659SS.*Hα-helixtrans-70.6-38.6179.200000113.2D174 K175D174-A177 PolarHBondContact O-N 2.93Å; K175-A177 VanDerWaalsContact C-N 3.34Å
178N50.9Low49Very low116 Ų116120.4 Ų120.462%0.6264%0.638SS**Hα-helixtrans-84.8-28178.1-70.3-20.4000113.3D174 N182D174-N178 PolarHBondContact O-N 3.09Å; N178-N182 PolarHBondContact O-N 3.02Å
179A50.7Low50.7Low61 Ų61111.1 Ų111.150%0.50460%0.604SS.*Hα-helixtrans-72.3-30.6173.300000112.2K175 Q181 N182 A183K175-A179 WeakPolarHBondContact O-CB 3.31Å; K175-A179 PolarHBondContact O-N 2.85Å; A179-Q181 VanDerWaalsContact C-N 3.28Å; A179-Q181 PolarHBondContact O-N 2.96Å; A179-N182 CarbonylContact O-C 3.5Å; A179-N182 PolarHBondContact O-N 2.71Å; A179-A183 PolarHBondContact O-N 2.99Å; A179-A183 VanDerWaalsContact O-N 3.1Å
180L43.1Very low52.9Low136 Ų136102.8 Ų102.871%0.71257%0.565SS**Hα-helixtrans-68.1-28.3178-145.180.1000112.7L176L176-L180 WeakPolarHBondContact O-CB 3.04Å; L176-L180 PolarHBondContact O-N 3.32Å; L176-L180 VanDerWaalsContact O-N 3.09Å
181Q48.9Very low55.4Low165 Ų16598 Ų9877%0.77155%0.552SS**Hα-helixtrans-82-25.1176.1-73-17055.200113.3A179A179-Q181 VanDerWaalsContact C-N 3.28Å; A179-Q181 PolarHBondContact O-N 2.96Å
182N41.7Very low57.5Low134 Ų13493.9 Ų93.972%0.71753%0.53SS*.THydrogen-bonded Turntrans-113.735.2179-81.9-9.7000112.6N178 A179 G184N178-N182 PolarHBondContact O-N 3.02Å; A179-N182 CarbonylContact O-C 3.5Å; A179-N182 PolarHBondContact O-N 2.71Å; N182-G184 PolarHBondContact O-N 2.9Å; N182-G184 VanDerWaalsContact O-O 3.06Å
183A37.4Very low59.6Low86 Ų8692.1 Ų92.171%0.71151%0.512SS*.  trans-69.236.2175.700000114A179A179-A183 PolarHBondContact O-N 2.99Å; A179-A183 VanDerWaalsContact O-N 3.1Å
184G35.2Very low61.7Low48 Ų4885.6 Ų85.650%0.49548%0.484SS..SBendtrans-86.2130.7149.300000106.7N182 S186N182-G184 PolarHBondContact O-N 2.9Å; N182-G184 VanDerWaalsContact O-O 3.06Å; G184-S186 PolarHBondContact O-N 2.89Å
185E41.9Very low63.7Low206 Ų20680.5 Ų80.596%0.96346%0.457SS*.  trans-61.542.9179.2-62.1172.3140.600114Q187E185-Q187 PolarHBondContact O-N 2.98Å
186S50Low65.6Low103 Ų10378.1 Ų78.172%0.7245%0.447SS*.  trans-81.6109.6178-510000106.7G184 S188G184-S186 PolarHBondContact O-N 2.89Å; S186-S188 PolarHBondContact O-N 3.2Å
187Q58.8Low67.5Low182 Ų18278.1 Ų78.185%0.8545%0.454SS*.PPolyproline II helixtrans-46.1120.2167.5-72175.1-11.900108.3E185 F189E185-Q187 PolarHBondContact O-N 2.98Å; Q187-F189 PolarHBondContact O-N 2.79Å; Q187-F189 VanDerWaalsContact O-N 3.12Å
188S71.5Confident69.5Low51 Ų5178.9 Ų78.936%0.35745%0.45SS..PPolyproline II helixtrans-64.2118-176.461.90000108.9S186 P190S186-S188 PolarHBondContact O-N 3.2Å; S188-P190 CarbonylContact O-C 3.4Å; S188-P190 VanDerWaalsContact O-O 3.11Å
189F84.7Confident71.3Confident45 Ų4578.4 Ų78.420%0.19745%0.447CS..SBendtrans-87.6137.8170.5178.5-95.3000110.1Q187 F211 M246 Q248 F250Q187-F189 PolarHBondContact O-N 2.79Å; Q187-F189 VanDerWaalsContact O-N 3.12Å; F189-F211 HydrophobicContact CE1-CZ 4.44Å; F189-F211 HydrophobicContact CZ-CE2 4.01Å; F189-F211 HydrophobicContact CZ-CZ 4.36Å; F189-M246 HydrophobicContact CB-SD 3.87Å; F189-M246 HydrophobicContact CD1-CB 4.46Å; F189-M246 HydrophobicContact CD2-CB 3.53Å; F189-M246 HydrophobicContact CD2-CG 4.38Å; F189-M246 HydrophobicContact CD2-SD 4.11Å; F189-M246 HydrophobicContact CE2-CB 3.68Å; F189-M246 WeakPolarHBondContact CE2-O 3.46Å; F189-M246 HydrophobicContact CG-CB 3.96Å; F189-M246 HydrophobicContact CG-SD 4.14Å; F189-M246 HydrophobicContact CZ-CB 4.21Å; F189-M246 WeakPolarHBondContact CZ-O 3.21Å; F189-Q248 HydrophobicContact CD1-CG 4.18Å; F189-Q248 HydrophobicContact CE1-CG 4.19Å; F189-F250 HydrophobicContact CD1-CB 4.3Å; F189-F250 HydrophobicContact CE1-CB 4.29Å; F189-F250 HydrophobicContact CE1-CD1 4.18Å
190P93Very high73.3Confident0 Ų078 Ų780%044%0.437CS..SBendcis-72.5149.8-11.330.3-37.4000112.1S188 L206 A207 L208 F250 L252S188-P190 CarbonylContact O-C 3.4Å; S188-P190 VanDerWaalsContact O-O 3.11Å; P190-L206 HydrophobicContact CG-CD2 4.11Å; P190-A207 WeakPolarHBondContact CB-O 3.37Å; P190-L208 HydrophobicContact CB-CD2 3.49Å; P190-L208 VanDerWaalsContact CB-CD2 3.49Å; P190-L208 HydrophobicContact CG-CD2 3.52Å; P190-F250 VanDerWaalsContact CD-CD2 3.45Å; P190-F250 HydrophobicContact CG-CD1 4.38Å; P190-F250 HydrophobicContact CG-CD2 3.82Å; P190-F250 HydrophobicContact CG-CE1 4.33Å; P190-F250 HydrophobicContact CG-CE2 3.79Å; P190-F250 HydrophobicContact CG-CG 4.14Å; P190-F250 HydrophobicContact CG-CZ 4.06Å; P190-L252 HydrophobicContact CG-CD1 3.59Å; P190-L252 HydrophobicContact CG-CG 4.45Å
191P94.2Very high75.8Confident45 Ų4575.3 Ų75.329%0.29242%0.421SS..PPolyproline II helixtrans-65.8143.8172.927.3-30.7000109.8G89 I90 A207G89-P191 WeakPolarHBondContact O-CB 3.42Å; I90-P191 HydrophobicContact CG1-CB 4.1Å; I90-P191 HydrophobicContact CG1-CG 4.45Å; I90-P191 WeakPolarHBondContact CG1-O 3.44Å; P191-A207 HydrophobicContact CG-CB 4.16Å; P191-A207 PolarHBondContact O-N 2.93Å
192Y96.4Very high78.1Confident21 Ų2168 Ų688%0.08239%0.386CS..EExtended strand (participates in β ladder)trans-142.2156.3-177.665.7-87.1000112Y87 G89 K175 I194 T205 L252 F254Y87-Y192 AromaticContact CD1-CD2 3.62Å; Y87-Y192 HydrophobicContact CD1-CD2 3.62Å; Y87-Y192 AromaticContact CD1-CE2 3.28Å; Y87-Y192 HydrophobicContact CD1-CE2 3.28Å; Y87-Y192 HydrophobicContact CD1-CG 4.46Å; Y87-Y192 AromaticContact CD1-CZ 3.9Å; Y87-Y192 WeakPolarHBondContact CD1-O 3.04Å; Y87-Y192 HydrophobicContact CE1-CD1 4.26Å; Y87-Y192 AromaticContact CE1-CD2 3.69Å; Y87-Y192 HydrophobicContact CE1-CD2 3.69Å; Y87-Y192 AromaticContact CE1-CE1 3.94Å; Y87-Y192 HydrophobicContact CE1-CE1 3.94Å; Y87-Y192 AromaticContact CE1-CE2 3.32Å; Y87-Y192 HydrophobicContact CE1-CE2 3.32Å; Y87-Y192 HydrophobicContact CE1-CG 4.14Å; Y87-Y192 AromaticContact CE1-CZ 3.46Å; Y87-Y192 VanDerWaalsContact CE1-CZ 3.46Å; Y87-Y192 WeakPolarHBondContact CE1-O 2.83Å; Y87-Y192 HydrophobicContact CG-CE2 4.2Å; G89-Y192 VanDerWaalsContact CA-O 3.28Å; G89-Y192 WeakPolarHBondContact CA-O 3.36Å; G89-Y192 PolarHBondContact N-O 2.82Å; K175-Y192 PolarHBondContact NZ-OH 3.09Å; Y192-I194 HydrophobicContact CD2-CD1 4.47Å; Y192-I194 HydrophobicContact CD2-CG1 4.07Å; Y192-I194 HydrophobicContact CE2-CD1 4.03Å; Y192-I194 HydrophobicContact CE2-CG1 4.1Å; Y192-T205 CarbonylContact C-O 3.59Å; Y192-T205 WeakPolarHBondContact CA-O 3.36Å; Y192-T205 VanDerWaalsContact CB-O 3.27Å; Y192-T205 WeakPolarHBondContact CB-O 3.37Å; Y192-L252 HydrophobicContact CD1-CD1 4.26Å; Y192-F254 AromaticContact CD2-CE1 3.91Å; Y192-F254 HydrophobicContact CD2-CE1 3.91Å; Y192-F254 HydrophobicContact CD2-CZ 4.24Å; Y192-F254 AromaticContact CE2-CE1 3.74Å; Y192-F254 HydrophobicContact CE2-CE1 3.74Å; Y192-F254 HydrophobicContact CE2-CZ 4.43Å; Y192-F254 HydrophobicContact CG-CE1 4.45Å; Y192-F254 HydrophobicContact CG-CZ 4.37Å
193N96Very high80.7Confident0 Ų065.6 Ų65.60%037%0.367CS..EExtended strand (participates in β ladder)trans-114.2151.9169.8-69.2-10.6000109.3Y85 Y87 Q88 G89 I90 E92 I204 T205Y85-N193 HydrophobicContact CD1-CB 4.16Å; Y85-N193 HydrophobicContact CE1-CB 4.05Å; Y87-N193 CarbonylContact O-C 3.57Å; Y87-N193 WeakPolarHBondContact O-CA 3.43Å; Q88-N193 VanDerWaalsContact CA-OD1 3.26Å; Q88-N193 WeakPolarHBondContact CA-OD1 3.38Å; G89-N193 PolarHBondContact N-OD1 2.8Å; I90-N193 PolarHBondContact N-OD1 3.31Å; E92-N193 PolarHBondContact OE1-ND2 2.91Å; N193-I204 WeakPolarHBondContact O-CA 3.41Å; N193-T205 PolarHBondContact N-O 3.29Å; N193-T205 PolarHBondContact O-N 3.15Å
194I95.7Very high83.5Confident33 Ų3361.7 Ų61.717%0.16933%0.334CS..EExtended strand (participates in β ladder)trans-124.1112.7166-54.2178.3000106.6L86 Y87 Y192 R203 I204L86-I194 HydrophobicContact CB-CB 4.39Å; L86-I194 HydrophobicContact CB-CG2 4.22Å; L86-I194 HydrophobicContact CD1-CG2 4.19Å; L86-I194 PolarHBondContact N-O 3.33Å; Y87-I194 PolarHBondContact N-O 2.79Å; Y87-I194 PolarHBondContact O-N 3.07Å; Y192-I194 HydrophobicContact CD2-CD1 4.47Å; Y192-I194 HydrophobicContact CD2-CG1 4.07Å; Y192-I194 HydrophobicContact CE2-CD1 4.03Å; Y192-I194 HydrophobicContact CE2-CG1 4.1Å; I194-R203 CarbonylContact C-O 3.56Å; I194-R203 WeakPolarHBondContact CA-O 3.46Å; I194-I204 HydrophobicContact CG1-CG1 4.4Å
195E94.5Very high86.5Confident11 Ų1159.4 Ų59.45%0.05131%0.311CS..EExtended strand (participates in β ladder)trans-104.4140.9-177-66.4166.8-118.900109.5R83 Y85 Y202 R203 T205R83-E195 WeakPolarHBondContact CD-OE2 3.43Å; R83-E195 IonicContact NE-OE2 3.64Å; R83-E195 IonicContact NH1-OE2 2.89Å; Y85-E195 HydrophobicContact CD1-CG 3.63Å; Y85-E195 HydrophobicContact CE1-CG 3.44Å; Y85-E195 VanDerWaalsContact CE1-CG 3.44Å; E195-Y202 CarbonylContact O-C 3.56Å; E195-Y202 VanDerWaalsContact O-CA 3.25Å; E195-Y202 WeakPolarHBondContact O-CA 3.28Å; E195-R203 HydrophobicContact CB-CB 4.36Å; E195-R203 PolarHBondContact N-O 2.83Å; E195-R203 PolarHBondContact O-N 2.81Å; E195-T205 PolarHBondContact OE1-OG1 2.82Å
196K94Very high89.1Confident49 Ų4949.6 Ų49.621%0.21327%0.265CS..EExtended strand (participates in β ladder)trans-109.9111.5167.8-177.3-177177.6-165.30107.4T84 L86 D198 D199 Y202T84-K196 PolarHBondContact O-N 3.39Å; L86-K196 HydrophobicContact CD1-CB 4.22Å; L86-K196 HydrophobicContact CD2-CB 4.23Å; L86-K196 HydrophobicContact CG-CB 4.05Å; K196-D198 VanDerWaalsContact CE-C 3.44Å; K196-D198 WeakPolarHBondContact CE-O 3.35Å; K196-D198 WeakPolarHBondContact CG-O 3.35Å; K196-D199 IonicContact NZ-OD1 3.77Å; K196-D199 PolarHBondContact NZ-OD1 3.46Å; K196-Y202 HydrophobicContact CB-CD1 3.97Å; K196-Y202 HydrophobicContact CB-CE1 4.05Å; K196-Y202 HydrophobicContact CD-CE1 3.92Å; K196-Y202 HydrophobicContact CG-CD1 3.97Å; K196-Y202 HydrophobicContact CG-CE1 3.66Å
197S90.6Very high91.3Very high90 Ų9045.4 Ų45.463%0.62924%0.236SC*.SBendtrans-81.5-41177.1-58.80000111.3H201S197-H201 PolarHBondContact N-O 2.86Å
198D90.8Very high93.1Very high75 Ų7536.8 Ų36.840%0.40120%0.196SC..SBendtrans-153.7-168.7171.963.545.5000110.3K196 N200 H201K196-D198 VanDerWaalsContact CE-C 3.44Å; K196-D198 WeakPolarHBondContact CE-O 3.35Å; K196-D198 WeakPolarHBondContact CG-O 3.35Å; D198-N200 PolarHBondContact O-N 3.39Å; D198-N200 WeakPolarHBondContact OD1-CA 3.36Å; D198-N200 PolarHBondContact OD1-N 3.1Å; D198-H201 PolarHBondContact N-O 2.83Å; D198-H201 IonicContact OD1-CE1 3.9Å; D198-H201 IonicContact OD1-CG 2.71Å; D198-H201 PolarHBondContact OD1-N 2.98Å; D198-H201 IonicContact OD1-ND1 3.01Å; D198-H201 PolarHBondContact OD1-ND1 3.16Å; D198-H201 IonicContact OD2-CE1 2.84Å; D198-H201 IonicContact OD2-CG 2.68Å; D198-H201 IonicContact OD2-ND1 3.33Å; D198-H201 PolarHBondContact OD2-ND1 2.68Å
199D88.1Confident94.2Very high105 Ų10535.2 Ų35.256%0.56119%0.186SC*.SBendtrans-62-22.1-177.1-70.7-29.6000114.9K196 Y202K196-D199 IonicContact NZ-OD1 3.77Å; K196-D199 PolarHBondContact NZ-OD1 3.46Å; D199-Y202 PolarHBondContact O-OH 3.32Å
200N92.8Very high94.7Very high52 Ų5233.9 Ų33.928%0.27819%0.185SC..SBendtrans-118.9-17.1-176.6-64.5-30.4000113.7D198 I277 R278D198-N200 PolarHBondContact O-N 3.39Å; D198-N200 WeakPolarHBondContact OD1-CA 3.36Å; D198-N200 PolarHBondContact OD1-N 3.1Å; N200-I277 CarbonylContact O-C 3.47Å; N200-I277 VanDerWaalsContact O-CA 3.3Å; N200-I277 WeakPolarHBondContact O-CA 3.09Å; N200-R278 PolarHBondContact O-N 3.37Å; N200-R278 PolarHBondContact OD1-O 3.16Å
201H95.6Very high94.9Very high81 Ų8133.9 Ų33.938%0.37519%0.185SC..EExtended strand (participates in β ladder)trans-109125.9-177.2-60.592.3000112.2S197 D198S197-H201 PolarHBondContact N-O 2.86Å; D198-H201 PolarHBondContact N-O 2.83Å; D198-H201 IonicContact OD1-CE1 3.9Å; D198-H201 IonicContact OD1-CG 2.71Å; D198-H201 PolarHBondContact OD1-N 2.98Å; D198-H201 IonicContact OD1-ND1 3.01Å; D198-H201 PolarHBondContact OD1-ND1 3.16Å; D198-H201 IonicContact OD2-CE1 2.84Å; D198-H201 IonicContact OD2-CG 2.68Å; D198-H201 IonicContact OD2-ND1 3.33Å; D198-H201 PolarHBondContact OD2-ND1 2.68Å
202Y96.6Very high94.9Very high11 Ų1134.8 Ų34.84%0.04318%0.182CC..EExtended strand (participates in β ladder)trans-131.2155.5178.6-54.5-101.9000110L86 W170 E195 K196 D199 M260 L276 R278L86-Y202 HydrophobicContact CD1-CD1 3.86Å; L86-Y202 HydrophobicContact CD1-CE1 3.85Å; W170-Y202 WeakPolarHBondContact CZ3-OH 3.26Å; E195-Y202 CarbonylContact O-C 3.56Å; E195-Y202 VanDerWaalsContact O-CA 3.25Å; E195-Y202 WeakPolarHBondContact O-CA 3.28Å; K196-Y202 HydrophobicContact CB-CD1 3.97Å; K196-Y202 HydrophobicContact CB-CE1 4.05Å; K196-Y202 HydrophobicContact CD-CE1 3.92Å; K196-Y202 HydrophobicContact CG-CD1 3.97Å; K196-Y202 HydrophobicContact CG-CE1 3.66Å; D199-Y202 PolarHBondContact O-OH 3.32Å; Y202-M260 HydrophobicContact CD2-CE 3.97Å; Y202-M260 HydrophobicContact CE1-CE 4.44Å; Y202-M260 HydrophobicContact CE2-CE 3.65Å; Y202-L276 PolarHBondContact N-O 2.73Å; Y202-L276 PolarHBondContact O-N 3.34Å; Y202-R278 HydrophobicContact CE2-CB 4.02Å
203R97Very high94.9Very high84 Ų8440.6 Ų40.632%0.31721%0.21SC..EExtended strand (participates in β ladder)trans-137.1131.6176.3175.3173-71.5-179.4-4.2110.5I194 E195 H273 I274 D275I194-R203 CarbonylContact C-O 3.56Å; I194-R203 WeakPolarHBondContact CA-O 3.46Å; E195-R203 HydrophobicContact CB-CB 4.36Å; E195-R203 PolarHBondContact N-O 2.83Å; E195-R203 PolarHBondContact O-N 2.81Å; R203-H273 HydrophobicContact CG-CB 4.36Å; R203-I274 WeakPolarHBondContact CA-O 3.28Å; R203-D275 IonicContact CZ-OD1 2.72Å; R203-D275 IonicContact CZ-OD2 3.7Å; R203-D275 IonicContact NE-OD1 2.78Å; R203-D275 PolarHBondContact NE-OD1 2.75Å; R203-D275 VanDerWaalsContact NH2-CG 3.31Å; R203-D275 IonicContact NH2-OD1 3.88Å; R203-D275 PolarHBondContact NH2-OD1 3.01Å; R203-D275 IonicContact NH2-OD2 4Å; R203-D275 PolarHBondContact NH2-OD2 3.19Å; R203-D275 VanDerWaalsContact NH2-OD2 3.08Å
204I97.1Very high94.9Very high4 Ų447.7 Ų47.72%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-98.9122166.2-55.9177.2000107.2N193 I194 L206 L225 F254 H273 I274 L276N193-I204 WeakPolarHBondContact O-CA 3.41Å; I194-I204 HydrophobicContact CG1-CG1 4.4Å; I204-L206 HydrophobicContact CG2-CD1 3.79Å; I204-L206 HydrophobicContact CG2-CG 4.45Å; I204-L225 HydrophobicContact CD1-CD2 4.07Å; I204-F254 HydrophobicContact CD1-CB 4.32Å; I204-F254 HydrophobicContact CD1-CD1 3.98Å; I204-F254 HydrophobicContact CD1-CD2 4.19Å; I204-F254 HydrophobicContact CD1-CE1 4.34Å; I204-F254 HydrophobicContact CD1-CG 3.9Å; I204-F254 HydrophobicContact CG2-CE1 4.13Å; I204-F254 HydrophobicContact CG2-CE2 4.29Å; I204-F254 HydrophobicContact CG2-CZ 3.86Å; I204-H273 CarbonylContact O-C 3.55Å; I204-H273 WeakPolarHBondContact O-CA 3.3Å; I204-I274 HydrophobicContact CB-CB 4.4Å; I204-I274 PolarHBondContact N-O 2.82Å; I204-I274 PolarHBondContact O-N 2.8Å; I204-L276 HydrophobicContact CD1-CD1 3.9Å; I204-L276 HydrophobicContact CG1-CD1 4.03Å
205T97.1Very high94.9Very high0 Ų047.1 Ų47.10%024%0.241CC..EExtended strand (participates in β ladder)trans-113.3125.3177.5-610000109I90 Y192 N193 E195 L271 L272 H273I90-T205 HydrophobicContact CD1-CG2 3.95Å; I90-T205 WeakPolarHBondContact CD1-O 3.22Å; Y192-T205 CarbonylContact C-O 3.59Å; Y192-T205 WeakPolarHBondContact CA-O 3.36Å; Y192-T205 VanDerWaalsContact CB-O 3.27Å; Y192-T205 WeakPolarHBondContact CB-O 3.37Å; N193-T205 PolarHBondContact N-O 3.29Å; N193-T205 PolarHBondContact O-N 3.15Å; E195-T205 PolarHBondContact OE1-OG1 2.82Å; T205-L271 HydrophobicContact CG2-CB 4.26Å; T205-L271 HydrophobicContact CG2-CD1 4.14Å; T205-L271 HydrophobicContact CG2-CD2 4.24Å; T205-L271 HydrophobicContact CG2-CG 4.46Å; T205-L272 CarbonylContact C-O 3.39Å; T205-L272 VanDerWaalsContact CA-O 3.26Å; T205-L272 WeakPolarHBondContact CA-O 3.47Å; T205-H273 WeakPolarHBondContact CG2-ND1 3.39Å; T205-H273 PolarHBondContact OG1-ND1 2.8Å
206L97.1Very high95Very high0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-115.2132.9176.8-59.292.2000110.4P190 I204 L208 V227 L252 L271 L272 I274P190-L206 HydrophobicContact CG-CD2 4.11Å; I204-L206 HydrophobicContact CG2-CD1 3.79Å; I204-L206 HydrophobicContact CG2-CG 4.45Å; L206-L208 HydrophobicContact CB-CD1 4.26Å; L206-L208 HydrophobicContact CB-CD2 4.35Å; L206-L208 HydrophobicContact CB-CG 4.08Å; L206-V227 HydrophobicContact CD2-CG1 4.26Å; L206-L252 HydrophobicContact CD2-CD1 3.61Å; L206-L271 WeakPolarHBondContact O-CA 3.25Å; L206-L272 HydrophobicContact CB-CB 4.37Å; L206-L272 HydrophobicContact CD1-CB 4.44Å; L206-L272 HydrophobicContact CD1-CD2 4.15Å; L206-L272 HydrophobicContact CD1-CG 4.33Å; L206-L272 PolarHBondContact N-O 2.89Å; L206-L272 PolarHBondContact O-N 2.78Å; L206-I274 HydrophobicContact CD1-CD1 4.24Å
207A96.2Very high95.2Very high15 Ų1549.8 Ų49.812%0.12426%0.255CS..EExtended strand (participates in β ladder)trans-90.2111.1173.700000111A54 I90 P190 P191 L271A54-A207 HydrophobicContact CB-CB 4.16Å; I90-A207 HydrophobicContact CD1-CB 3.84Å; I90-A207 HydrophobicContact CG1-CB 3.95Å; I90-A207 HydrophobicContact CG2-CB 4.26Å; P190-A207 WeakPolarHBondContact CB-O 3.37Å; P191-A207 HydrophobicContact CG-CB 4.16Å; P191-A207 PolarHBondContact O-N 2.93Å; A207-L271 HydrophobicContact CB-CD2 3.75Å
208L96.3Very high95.5Very high0 Ų048.6 Ų48.60%024%0.241CC..  trans-125.246-171.7-56.1175.6000110.1P190 L206 G210 F211 L216 F250 F267 G270 L272P190-L208 HydrophobicContact CB-CD2 3.49Å; P190-L208 VanDerWaalsContact CB-CD2 3.49Å; P190-L208 HydrophobicContact CG-CD2 3.52Å; L206-L208 HydrophobicContact CB-CD1 4.26Å; L206-L208 HydrophobicContact CB-CD2 4.35Å; L206-L208 HydrophobicContact CB-CG 4.08Å; L208-G210 PolarHBondContact O-N 2.94Å; L208-G210 VanDerWaalsContact O-N 3.14Å; L208-F211 HydrophobicContact CB-CB 4.1Å; L208-F211 HydrophobicContact CB-CD2 3.96Å; L208-F211 HydrophobicContact CB-CG 4.2Å; L208-F211 PolarHBondContact O-N 2.78Å; L208-L216 HydrophobicContact CD1-CD1 3.67Å; L208-L216 HydrophobicContact CD1-CD2 3.83Å; L208-L216 HydrophobicContact CD1-CG 4.42Å; L208-F250 HydrophobicContact CD1-CZ 4.13Å; L208-F250 HydrophobicContact CD2-CD1 4.44Å; L208-F250 HydrophobicContact CD2-CE1 3.49Å; L208-F250 VanDerWaalsContact CD2-CE1 3.49Å; L208-F250 HydrophobicContact CD2-CE2 4.33Å; L208-F250 HydrophobicContact CD2-CZ 3.43Å; L208-F250 VanDerWaalsContact CD2-CZ 3.43Å; L208-F250 HydrophobicContact CG-CZ 4.45Å; L208-F267 HydrophobicContact CB-CE2 4.01Å; L208-F267 HydrophobicContact CB-CZ 4.35Å; L208-F267 HydrophobicContact CD1-CE2 4.24Å; L208-G270 CarbonylContact C-O 3.48Å; L208-G270 WeakPolarHBondContact CA-O 3.47Å; L208-G270 PolarHBondContact N-O 2.74Å; L208-L272 HydrophobicContact CD1-CB 3.76Å; L208-L272 HydrophobicContact CD1-CD2 4.1Å
209A95.5Very high95.8Very high19 Ų1948 Ų4816%0.15724%0.235CC..THydrogen-bonded Turntrans-52.2122.8176.400000110.2A52 A54 N114 L116A52-A209 HydrophobicContact CB-CB 3.62Å; A54-A209 HydrophobicContact CB-CB 4.04Å; N114-A209 WeakPolarHBondContact O-CA 3.37Å; L116-A209 HydrophobicContact CD2-CB 3.97Å; L116-A209 HydrophobicContact CG-CB 4.25Å
210G94.1Very high96Very high16 Ų1646.6 Ų46.617%0.16523%0.227CC..THydrogen-bonded Turntrans93.9-5.7179.200000115.8N114 L208N114-G210 PolarHBondContact O-N 2.88Å; L208-G210 PolarHBondContact O-N 2.94Å; L208-G210 VanDerWaalsContact O-N 3.14Å
211F96.3Very high96.1Very high0 Ų050.7 Ų50.70%025%0.245CC..  trans-86.3144.6170.7-71.6-104.7000110.6N114 F189 L208 D215 L216 P231 N247 F250 F267N114-F211 WeakPolarHBondContact CB-O 3.37Å; F189-F211 HydrophobicContact CE1-CZ 4.44Å; F189-F211 HydrophobicContact CZ-CE2 4.01Å; F189-F211 HydrophobicContact CZ-CZ 4.36Å; L208-F211 HydrophobicContact CB-CB 4.1Å; L208-F211 HydrophobicContact CB-CD2 3.96Å; L208-F211 HydrophobicContact CB-CG 4.2Å; L208-F211 PolarHBondContact O-N 2.78Å; F211-D215 HydrophobicContact CD1-CB 4.34Å; F211-L216 HydrophobicContact CB-CD2 4.04Å; F211-L216 HydrophobicContact CD1-CD2 3.74Å; F211-L216 HydrophobicContact CG-CD2 4.15Å; F211-P231 HydrophobicContact CD1-CB 4.29Å; F211-P231 HydrophobicContact CE1-CB 4.01Å; F211-P231 HydrophobicContact CE1-CG 4.08Å; F211-P231 HydrophobicContact CZ-CB 4.25Å; F211-P231 HydrophobicContact CZ-CG 4.13Å; F211-N247 WeakPolarHBondContact CE2-OD1 3.43Å; F211-F250 HydrophobicContact CD1-CE1 4.11Å; F211-F250 AromaticContact CE1-CD1 3.8Å; F211-F250 HydrophobicContact CE1-CD1 3.8Å; F211-F250 AromaticContact CE1-CE1 3.58Å; F211-F250 HydrophobicContact CE1-CE1 3.58Å; F211-F250 HydrophobicContact CE2-CE1 4.36Å; F211-F250 AromaticContact CZ-CD1 3.69Å; F211-F250 HydrophobicContact CZ-CD1 3.69Å; F211-F250 AromaticContact CZ-CE1 3.74Å; F211-F250 HydrophobicContact CZ-CE1 3.74Å; F211-F267 HydrophobicContact CB-CZ 4.46Å; F211-F267 VanDerWaalsContact O-CE1 3.27Å; F211-F267 WeakPolarHBondContact O-CE1 3.31Å; F211-F267 WeakPolarHBondContact O-CZ 3.37Å
212R95.3Very high95.9Very high64 Ų6450.3 Ų50.324%0.24226%0.263CS..  trans-92.8156.6168.9-55.4170.4-60.3150.721.5108.9E214 D215 E232R212-E214 HydrophobicContact CB-CG 3.91Å; R212-E214 IonicContact CZ-OE1 2.81Å; R212-E214 IonicContact NE-OE1 3.13Å; R212-E214 IonicContact NH1-OE1 2.96Å; R212-E214 PolarHBondContact NH1-OE1 3.13Å; R212-E214 IonicContact NH2-OE1 3.63Å; R212-E214 PolarHBondContact NH2-OE1 3.16Å; R212-E214 PolarHBondContact O-N 2.95Å; R212-D215 VanDerWaalsContact CB-OD2 3.28Å; R212-D215 WeakPolarHBondContact CB-OD2 3.46Å; R212-D215 WeakPolarHBondContact CG-OD2 3.39Å; R212-D215 IonicContact CZ-OD1 3.3Å; R212-D215 IonicContact CZ-OD2 3.05Å; R212-D215 PolarHBondContact N-OD2 3.01Å; R212-D215 IonicContact NE-OD1 3.44Å; R212-D215 PolarHBondContact NE-OD1 2.82Å; R212-D215 IonicContact NE-OD2 3.88Å; R212-D215 PolarHBondContact NE-OD2 2.77Å; R212-D215 IonicContact NH2-OD1 2.74Å; R212-D215 PolarHBondContact NH2-OD1 2.95Å; R212-D215 IonicContact NH2-OD2 3.56Å; R212-D215 VanDerWaalsContact O-CB 3.32Å; R212-D215 WeakPolarHBondContact O-CB 3.44Å; R212-D215 PolarHBondContact O-N 2.84Å; R212-E232 IonicContact CZ-OE2 3.79Å; R212-E232 IonicContact NE-OE2 3.08Å; R212-E232 IonicContact NH1-OE2 3.99Å; R212-E232 PolarHBondContact NH1-OE2 2.9Å; R212-E232 IonicContact NH2-OE2 3.58Å
213Q95.3Very high95.6Very high143 Ų14352.6 Ų52.667%0.66828%0.278SS*.G310 helixtrans-57.7-36.3177.3-175.9176.8-19.100112.2D215 L216 F267Q213-D215 PolarHBondContact O-N 2.77Å; Q213-L216 PolarHBondContact O-N 2.86Å; Q213-F267 HydrophobicContact CB-CD1 4Å
214E96Very high95.5Very high149 Ų14955.2 Ų55.270%0.69629%0.288SS*.G310 helixtrans-68.7-16.9176.861.6-174.2-127.900114.3R212 L216R212-E214 HydrophobicContact CB-CG 3.91Å; R212-E214 IonicContact CZ-OE1 2.81Å; R212-E214 IonicContact NE-OE1 3.13Å; R212-E214 IonicContact NH1-OE1 2.96Å; R212-E214 PolarHBondContact NH1-OE1 3.13Å; R212-E214 IonicContact NH2-OE1 3.63Å; R212-E214 PolarHBondContact NH2-OE1 3.16Å; R212-E214 PolarHBondContact O-N 2.95Å; E214-L216 VanDerWaalsContact C-N 3.26Å
215D95.7Very high95.5Very high21 Ų2155.1 Ų55.111%0.11229%0.288CS..G310 helixtrans-83.7-5.9177.3-60.3-27.9000111.9F211 R212 Q213 G229 T230F211-D215 HydrophobicContact CD1-CB 4.34Å; R212-D215 VanDerWaalsContact CB-OD2 3.28Å; R212-D215 WeakPolarHBondContact CB-OD2 3.46Å; R212-D215 WeakPolarHBondContact CG-OD2 3.39Å; R212-D215 IonicContact CZ-OD1 3.3Å; R212-D215 IonicContact CZ-OD2 3.05Å; R212-D215 PolarHBondContact N-OD2 3.01Å; R212-D215 IonicContact NE-OD1 3.44Å; R212-D215 PolarHBondContact NE-OD1 2.82Å; R212-D215 IonicContact NE-OD2 3.88Å; R212-D215 PolarHBondContact NE-OD2 2.77Å; R212-D215 IonicContact NH2-OD1 2.74Å; R212-D215 PolarHBondContact NH2-OD1 2.95Å; R212-D215 IonicContact NH2-OD2 3.56Å; R212-D215 VanDerWaalsContact O-CB 3.32Å; R212-D215 WeakPolarHBondContact O-CB 3.44Å; R212-D215 PolarHBondContact O-N 2.84Å; Q213-D215 PolarHBondContact O-N 2.77Å; D215-G229 CarbonylContact O-C 3.58Å; D215-G229 VanDerWaalsContact O-CA 3.28Å; D215-G229 WeakPolarHBondContact O-CA 3.31Å; D215-T230 WeakPolarHBondContact CB-O 3.36Å; D215-T230 PolarHBondContact O-N 2.93Å
216L97.3Very high95.4Very high29 Ų2955.7 Ų55.715%0.15229%0.292CS..EExtended strand (participates in β ladder)trans-109.8138.1-171.3-56.4179.3000111.9L208 F211 Q213 E214 K228 F250 F267 L272L208-L216 HydrophobicContact CD1-CD1 3.67Å; L208-L216 HydrophobicContact CD1-CD2 3.83Å; L208-L216 HydrophobicContact CD1-CG 4.42Å; F211-L216 HydrophobicContact CB-CD2 4.04Å; F211-L216 HydrophobicContact CD1-CD2 3.74Å; F211-L216 HydrophobicContact CG-CD2 4.15Å; Q213-L216 PolarHBondContact O-N 2.86Å; E214-L216 VanDerWaalsContact C-N 3.26Å; L216-K228 WeakPolarHBondContact CA-O 3.19Å; L216-F250 HydrophobicContact CD2-CE1 4.29Å; L216-F250 HydrophobicContact CD2-CZ 4.22Å; L216-F267 HydrophobicContact CD1-CD2 3.96Å; L216-F267 HydrophobicContact CD1-CE2 3.95Å; L216-F267 HydrophobicContact CD1-CG 4.27Å; L216-F267 HydrophobicContact CD1-CZ 4.22Å; L216-L272 HydrophobicContact CD1-CD2 4.44Å
217E97.5Very high95.4Very high88 Ų8855.7 Ų55.741%0.41129%0.292SS..EExtended strand (participates in β ladder)trans-125.9128.8175.6177.4176.5-144.400109.6Q219 V227 K228E217-Q219 HydrophobicContact CG-CG 3.93Å; E217-Q219 PolarHBondContact OE1-NE2 3.41Å; E217-V227 CarbonylContact O-C 3.57Å; E217-V227 WeakPolarHBondContact O-CA 3.46Å; E217-K228 HydrophobicContact CB-CB 4.35Å; E217-K228 PolarHBondContact N-O 2.89Å; E217-K228 PolarHBondContact O-N 3.5Å
218I97.2Very high95.4Very high65 Ų6558.5 Ų58.533%0.33330%0.301SS..EExtended strand (participates in β ladder)trans-121.2123.3176.3-52.3172.8000107.6L225 S226 V227 A265 L272 I274I218-L225 HydrophobicContact CG2-CD1 3.67Å; I218-S226 WeakPolarHBondContact CA-O 3.27Å; I218-V227 HydrophobicContact CG1-CG1 4.46Å; I218-A265 HydrophobicContact CD1-CB 3.76Å; I218-L272 HydrophobicContact CD1-CD1 3.97Å; I218-L272 HydrophobicContact CD1-CD2 3.89Å; I218-L272 HydrophobicContact CD1-CG 4.45Å; I218-L272 HydrophobicContact CG1-CD2 4.34Å; I218-I274 HydrophobicContact CD1-CD1 4.17Å; I218-I274 HydrophobicContact CD1-CG1 4.31Å; I218-I274 HydrophobicContact CG2-CD1 4.28Å
219Q96.8Very high95.4Very high61 Ų6158.5 Ų58.529%0.28530%0.302SS..EExtended strand (participates in β ladder)trans-130.8137.4-178.8-67.7179.1-29.200109.6E217 L225 S226E217-Q219 HydrophobicContact CG-CG 3.93Å; E217-Q219 PolarHBondContact OE1-NE2 3.41Å; Q219-L225 CarbonylContact O-C 3.21Å; Q219-L225 WeakPolarHBondContact O-CA 3.26Å; Q219-S226 PolarHBondContact N-O 2.97Å; Q219-S226 PolarHBondContact O-N 3.3Å
220L93.8Very high95.4Very high76 Ų7661.9 Ų61.940%0.39832%0.32SS..EExtended strand (participates in β ladder)trans-118.7109.4171.2179.161.4000108.7G222 R224 L225 L256 V262L220-G222 WeakPolarHBondContact CD1-O 3.4Å; L220-R224 WeakPolarHBondContact CA-O 3.4Å; L220-L225 HydrophobicContact CB-CD1 4.41Å; L220-L225 HydrophobicContact CD1-CB 4.05Å; L220-L256 HydrophobicContact CD1-CD1 3.85Å; L220-L256 HydrophobicContact CD2-CD1 4.45Å; L220-V262 HydrophobicContact CD2-CG2 4.04Å
221E93.7Very high95.2Very high138 Ų13861.4 Ų61.465%0.64531%0.314SS*.EExtended strand (participates in β ladder)trans-111.8104.9177.2-68.3-178.1-179.200109.4T223 R224E221-T223 PolarHBondContact O-N 3.09Å; E221-T223 VanDerWaalsContact O-N 3.16Å; E221-R224 PolarHBondContact N-O 3.22Å; E221-R224 WeakPolarHBondContact O-CB 3.47Å; E221-R224 PolarHBondContact O-N 3.43Å
222G91.6Very high94.7Very high74 Ų7466.5 Ų66.576%0.76334%0.338SS*.THydrogen-bonded Turntrans60-118.1-170.200000110.2L220L220-G222 WeakPolarHBondContact CD1-O 3.4Å
223T91.3Very high94.1Very high58 Ų5869.9 Ų69.936%0.35636%0.357SS..THydrogen-bonded Turntrans-92.7-117654.90000113.6E221 L256 E258E221-T223 PolarHBondContact O-N 3.09Å; E221-T223 VanDerWaalsContact O-N 3.16Å; T223-L256 WeakPolarHBondContact CB-O 3.07Å; T223-L256 PolarHBondContact O-N 3.08Å; T223-E258 HydrophobicContact CG2-CG 4.17Å
224R95.2Very high93.3Very high140 Ų14066.6 Ų66.653%0.52835%0.348SS..EExtended strand (participates in β ladder)trans-96.5105.8-175.1-167.1178.2-160.6127.94111.1L220 E221L220-R224 WeakPolarHBondContact CA-O 3.4Å; E221-R224 PolarHBondContact N-O 3.22Å; E221-R224 WeakPolarHBondContact O-CB 3.47Å; E221-R224 PolarHBondContact O-N 3.43Å
225L95.5Very high92.5Very high1 Ų168.9 Ų68.91%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-85.3116.7170.117865000109.4I204 I218 Q219 L220 S253 F254 L256 V262 I274I204-L225 HydrophobicContact CD1-CD2 4.07Å; I218-L225 HydrophobicContact CG2-CD1 3.67Å; Q219-L225 CarbonylContact O-C 3.21Å; Q219-L225 WeakPolarHBondContact O-CA 3.26Å; L220-L225 HydrophobicContact CB-CD1 4.41Å; L220-L225 HydrophobicContact CD1-CB 4.05Å; L225-S253 CarbonylContact O-C 3.59Å; L225-S253 VanDerWaalsContact O-CA 3.28Å; L225-S253 WeakPolarHBondContact O-CA 3.36Å; L225-F254 HydrophobicContact CB-CB 4.31Å; L225-F254 HydrophobicContact CD2-CD2 4.41Å; L225-F254 PolarHBondContact N-O 2.77Å; L225-F254 PolarHBondContact O-N 3.2Å; L225-L256 HydrophobicContact CB-CD1 4.18Å; L225-L256 HydrophobicContact CB-CD2 4.43Å; L225-L256 HydrophobicContact CB-CG 4.17Å; L225-L256 HydrophobicContact CD2-CD2 4.46Å; L225-V262 HydrophobicContact CD1-CG2 4.12Å; L225-V262 HydrophobicContact CD2-CG2 4.49Å; L225-I274 HydrophobicContact CD2-CD1 4.27Å; L225-I274 HydrophobicContact CD2-CG2 4.16Å
226S95.2Very high91.9Very high13 Ų1375.6 Ų75.69%0.09139%0.386CS..EExtended strand (participates in β ladder)trans-107.3133.9174.8-175.20000110.4I218 Q219 L252I218-S226 WeakPolarHBondContact CA-O 3.27Å; Q219-S226 PolarHBondContact N-O 2.97Å; Q219-S226 PolarHBondContact O-N 3.3Å; S226-L252 CarbonylContact C-O 3.4Å; S226-L252 WeakPolarHBondContact CA-O 3.37Å
227V97.1Very high91.2Very high0 Ų083.8 Ų83.80%042%0.423CS..EExtended strand (participates in β ladder)trans-121.6118.4171.3-174.10000107.8L206 E217 I218 F250 L252 F254 L272 I274L206-V227 HydrophobicContact CD2-CG1 4.26Å; E217-V227 CarbonylContact O-C 3.57Å; E217-V227 WeakPolarHBondContact O-CA 3.46Å; I218-V227 HydrophobicContact CG1-CG1 4.46Å; V227-F250 HydrophobicContact CG1-CE2 4.09Å; V227-F250 HydrophobicContact CG1-CZ 4.34Å; V227-L252 PolarHBondContact N-O 3.34Å; V227-L252 PolarHBondContact O-N 3.32Å; V227-F254 HydrophobicContact CG2-CE2 4.27Å; V227-L272 HydrophobicContact CG1-CD2 3.79Å; V227-I274 HydrophobicContact CG2-CD1 3.59Å
228K96.7Very high90.7Very high73 Ų7382.7 Ų82.732%0.31742%0.418SS..EExtended strand (participates in β ladder)trans-118.5149.2178-63.4170.3-173157.20109.2L216 E217 F250L216-K228 WeakPolarHBondContact CA-O 3.19Å; E217-K228 HydrophobicContact CB-CB 4.35Å; E217-K228 PolarHBondContact N-O 2.89Å; E217-K228 PolarHBondContact O-N 3.5Å; K228-F250 WeakPolarHBondContact CA-O 3.36Å
229G96.3Very high90.3Very high1 Ų183.9 Ų83.91%0.0142%0.42CS..EExtended strand (participates in β ladder)trans-141.6136173.300000110.7D215 P249 F250D215-G229 CarbonylContact O-C 3.58Å; D215-G229 VanDerWaalsContact O-CA 3.28Å; D215-G229 WeakPolarHBondContact O-CA 3.31Å; G229-P249 CarbonylContact O-C 3.57Å; G229-P249 WeakPolarHBondContact O-CA 3.26Å; G229-F250 PolarHBondContact N-O 2.83Å; G229-F250 PolarHBondContact O-N 3.26Å
230T94.7Very high90Very high89 Ų8985.3 Ų85.355%0.54642%0.423SS..  trans-128.8100173.8-55.20000108.4D215 P249D215-T230 WeakPolarHBondContact CB-O 3.36Å; D215-T230 PolarHBondContact O-N 2.93Å; T230-P249 HydrophobicContact CG2-CG 4.32Å
231P90.5Very high89.8Confident6 Ų685 Ų854%0.03942%0.422CS..PPolyproline II helixtrans-66.1147.6-175.829.1-32.2000110.5F211 Q233 N247F211-P231 HydrophobicContact CD1-CB 4.29Å; F211-P231 HydrophobicContact CE1-CB 4.01Å; F211-P231 HydrophobicContact CE1-CG 4.08Å; F211-P231 HydrophobicContact CZ-CB 4.25Å; F211-P231 HydrophobicContact CZ-CG 4.13Å; P231-Q233 PolarHBondContact O-N 2.66Å; P231-N247 WeakPolarHBondContact CB-OD1 3.49Å
232E86.5Confident89.6Confident108 Ų10882.1 Ų82.151%0.50541%0.408SS..PPolyproline II helixtrans-56130173.7-169.3179.7177.400110.3R212R212-E232 IonicContact CZ-OE2 3.79Å; R212-E232 IonicContact NE-OE2 3.08Å; R212-E232 IonicContact NH1-OE2 3.99Å; R212-E232 PolarHBondContact NH1-OE2 2.9Å; R212-E232 IonicContact NH2-OE2 3.58Å
233Q81.2Confident89.5Confident134 Ų13484.6 Ų84.663%0.62640%0.399SS*.PPolyproline II helixtrans-71.7133.2176.3-66.3-63.1-48.900109.5P231 K235P231-Q233 PolarHBondContact O-N 2.66Å; Q233-K235 PolarHBondContact O-N 2.89Å
234P78.9Confident89.4Confident74 Ų7483.4 Ų83.448%0.48140%0.399SS..PPolyproline II helixtrans-61.9138.3175.727.4-33.5000109.8E236 K238P234-E236 PolarHBondContact O-N 3.01Å; P234-K238 HydrophobicContact CB-CG 4.47Å
235K79.6Confident89.1Confident197 Ų19777.7 Ų77.786%0.85738%0.379SS*.SBendtrans-64-26.4179-67.4-178.9-179175.50113Q233Q233-K235 PolarHBondContact O-N 2.89Å
236E82.7Confident88.5Confident163 Ų16382.8 Ų82.876%0.76240%0.404SS*.SBendtrans-127.5147.4-177.4-65.9179.2-174.100109.7P234 K238P234-E236 PolarHBondContact O-N 3.01Å; E236-K238 PolarHBondContact O-N 2.8Å
237E83.6Confident87.9Confident200 Ų20085.8 Ų85.894%0.93542%0.419SS*.  trans-67.6121.1176.5-172.1176.8-174.700109.8
238K86.4Confident87.5Confident66 Ų6690.8 Ų90.829%0.28744%0.443SS..  trans-82.7131.5179.6-65.6-172.3164.4-141.10110.7E40 P234 E236 W240E40-K238 WeakPolarHBondContact OE1-CD 3.15Å; E40-K238 WeakPolarHBondContact OE1-CE 3.33Å; E40-K238 WeakPolarHBondContact OE1-CG 3.28Å; E40-K238 IonicContact OE1-NZ 2.67Å; E40-K238 PolarHBondContact OE1-NZ 2.82Å; E40-K238 IonicContact OE2-NZ 3.18Å; E40-K238 PolarHBondContact OE2-NZ 2.82Å; P234-K238 HydrophobicContact CB-CG 4.47Å; E236-K238 PolarHBondContact O-N 2.8Å; K238-W240 HydrophobicContact CB-CZ2 3.95Å; K238-W240 HydrophobicContact CD-CH2 3.82Å; K238-W240 HydrophobicContact CD-CZ2 3.54Å; K238-W240 HydrophobicContact CG-CZ2 4.4Å; K238-W240 PolarHBondContact O-N 2.81Å
239K89.9Confident87.5Confident90 Ų9091 Ų9139%0.39145%0.451SS..EExtended strand (participates in β ladder)trans-90.1105.6173.3-175.3164.5168-165.40110.1Y10 L41Y10-K239 PolarHBondContact OH-NZ 3.23Å; L41-K239 HydrophobicContact CB-CB 4.31Å; L41-K239 HydrophobicContact CB-CG 4.24Å; L41-K239 HydrophobicContact CD2-CD 3.8Å; L41-K239 HydrophobicContact CD2-CG 4.32Å; L41-K239 PolarHBondContact N-O 3.33Å
240W89.5Confident87.4Confident90 Ų9091.9 Ų91.934%0.34146%0.455SS..EExtended strand (participates in β ladder)trans-85.4137.3179.2-58.2105.4000111.6N38 E40 K238 Q243N38-W240 HydrophobicContact CB-CE3 3.7Å; N38-W240 HydrophobicContact CB-CH2 4.13Å; N38-W240 HydrophobicContact CB-CZ3 3.3Å; N38-W240 VanDerWaalsContact ND2-CH2 3.29Å; N38-W240 WeakPolarHBondContact ND2-CH2 3.28Å; N38-W240 VanDerWaalsContact ND2-CZ3 3.29Å; N38-W240 WeakPolarHBondContact ND2-CZ3 3Å; E40-W240 HydrophobicContact CB-CE3 4.06Å; E40-W240 HydrophobicContact CB-CZ3 3.84Å; E40-W240 HydrophobicContact CG-CZ3 4.45Å; K238-W240 HydrophobicContact CB-CZ2 3.95Å; K238-W240 HydrophobicContact CD-CH2 3.82Å; K238-W240 HydrophobicContact CD-CZ2 3.54Å; K238-W240 HydrophobicContact CG-CZ2 4.4Å; K238-W240 PolarHBondContact O-N 2.81Å; W240-Q243 HydrophobicContact CB-CB 4.47Å; W240-Q243 HydrophobicContact CG-CB 4.46Å
241L90.4Very high87.4Confident71 Ų7191.1 Ų91.137%0.37245%0.453SS..EExtended strand (participates in β ladder)trans-99.4-30167.8-62.7151.5000109.9I14 V39 L41 Y47I14-L241 HydrophobicContact CD1-CB 4.33Å; I14-L241 HydrophobicContact CD1-CD1 3.1Å; I14-L241 HydrophobicContact CD1-CD2 4.19Å; I14-L241 HydrophobicContact CD1-CG 4.04Å; I14-L241 HydrophobicContact CG1-CD1 4.28Å; V39-L241 HydrophobicContact CB-CB 4.31Å; V39-L241 HydrophobicContact CG1-CB 4.28Å; V39-L241 HydrophobicContact CG1-CD1 4.05Å; V39-L241 PolarHBondContact O-N 2.78Å; L41-L241 HydrophobicContact CB-CD1 3.64Å; L41-L241 HydrophobicContact CB-CD2 4.43Å; L41-L241 HydrophobicContact CB-CG 4Å; L41-L241 HydrophobicContact CD1-CD1 4.38Å; Y47-L241 HydrophobicContact CD1-CD1 3.75Å; Y47-L241 HydrophobicContact CE1-CD1 4.11Å
242H89Confident87.6Confident77 Ų7792.3 Ų92.336%0.35646%0.459SS..EExtended strand (participates in β ladder)trans-149.2139.3170.7177.274.3000109.5Y37 N38 V39Y37-H242 AromaticContact CD2-CD2 3.73Å; Y37-H242 AromaticContact CE2-CD2 3.32Å; Y37-H242 WeakPolarHBondContact CE2-CD2 3.36Å; Y37-H242 AromaticContact CE2-NE2 3.85Å; Y37-H242 AromaticContact CZ-CD2 3.75Å; Y37-H242 AromaticContact CZ-NE2 3.78Å; Y37-H242 PolarHBondContact O-CD2 3.02Å; N38-H242 CarbonylContact C-O 3.58Å; N38-H242 VanDerWaalsContact CA-O 3.32Å; N38-H242 WeakPolarHBondContact CA-O 3.34Å; V39-H242 HydrophobicContact CB-CB 4.1Å; V39-H242 HydrophobicContact CG2-CB 4.08Å; V39-H242 PolarHBondContact N-O 3.38Å; V39-H242 PolarHBondContact O-N 3.12Å
243Q88.6Confident88Confident125 Ų12589.4 Ų89.458%0.58445%0.45SS*.EExtended strand (participates in β ladder)trans-133.1109.4177.2-173.1178.32.300110.3N38 W240N38-Q243 VanDerWaalsContact OD1-CA 3.29Å; N38-Q243 WeakPolarHBondContact OD1-CA 3.34Å; W240-Q243 HydrophobicContact CB-CB 4.47Å; W240-Q243 HydrophobicContact CG-CB 4.46Å
244G89.3Confident88.6Confident34 Ų3483.5 Ų83.535%0.35142%0.423SS..  trans-120.6-14.117400000114.3Y37 N38Y37-G244 WeakPolarHBondContact O-CA 3.46Å; Y37-G244 PolarHBondContact O-N 2.87Å; N38-G244 PolarHBondContact OD1-N 2.65Å
245L88.8Confident89.3Confident20 Ų2083.7 Ų83.711%0.10542%0.423CS..  trans-79.8131.7175.9-62.7177.2000111.3P36 N38 A50 A52 L116P36-L245 HydrophobicContact CB-CD2 3.98Å; P36-L245 HydrophobicContact CG-CD2 3.94Å; P36-L245 VanDerWaalsContact O-CD2 3.25Å; P36-L245 WeakPolarHBondContact O-CD2 3.41Å; N38-L245 HydrophobicContact CB-CD1 4.31Å; N38-L245 WeakPolarHBondContact OD1-CB 3.32Å; N38-L245 WeakPolarHBondContact OD1-CG 3.42Å; N38-L245 PolarHBondContact OD1-N 3.33Å; A50-L245 HydrophobicContact CB-CD1 4.1Å; A52-L245 HydrophobicContact CB-CD2 3.38Å; L116-L245 HydrophobicContact CD2-CD1 3.67Å; L116-L245 HydrophobicContact CD2-CD2 4.47Å
246M83.8Confident89.9Confident108 Ų10875 Ų7553%0.53239%0.386SS..  trans-90.7104.2168.4-61.5-176.1-173.700108.3F189F189-M246 HydrophobicContact CB-SD 3.87Å; F189-M246 HydrophobicContact CD1-CB 4.46Å; F189-M246 HydrophobicContact CD2-CB 3.53Å; F189-M246 HydrophobicContact CD2-CG 4.38Å; F189-M246 HydrophobicContact CD2-SD 4.11Å; F189-M246 HydrophobicContact CE2-CB 3.68Å; F189-M246 WeakPolarHBondContact CE2-O 3.46Å; F189-M246 HydrophobicContact CG-CB 3.96Å; F189-M246 HydrophobicContact CG-SD 4.14Å; F189-M246 HydrophobicContact CZ-CB 4.21Å; F189-M246 WeakPolarHBondContact CZ-O 3.21Å
247N83.3Confident90.2Very high76 Ų7668.8 Ų68.841%0.40636%0.362SS..  trans-123.864.1175.5-168.636.1000109.8F211 P231F211-N247 WeakPolarHBondContact CE2-OD1 3.43Å; P231-N247 WeakPolarHBondContact CB-OD1 3.49Å
248Q88.9Confident90.5Very high105 Ų10568.1 Ų68.149%0.49136%0.359SS..  trans-117.8155.5-176.362.1-173.8-19.800110.3F189 F250F189-Q248 HydrophobicContact CD1-CG 4.18Å; F189-Q248 HydrophobicContact CE1-CG 4.19Å; Q248-F250 PolarHBondContact O-N 3.39Å
249P94.8Very high90.6Very high77 Ų7766.9 Ų66.950%0.536%0.355SS..  trans-53.9142.8172.3-22.832.2000111.5G229 T230G229-P249 CarbonylContact O-C 3.57Å; G229-P249 WeakPolarHBondContact O-CA 3.26Å; T230-P249 HydrophobicContact CG2-CG 4.32Å
250F95.3Very high90.7Very high20 Ų2063.4 Ų63.49%0.08834%0.34CS..EExtended strand (participates in β ladder)trans-140.5161.117975.2-90.7000111.6F189 P190 L208 F211 L216 V227 K228 G229 Q248 L252F189-F250 HydrophobicContact CD1-CB 4.3Å; F189-F250 HydrophobicContact CE1-CB 4.29Å; F189-F250 HydrophobicContact CE1-CD1 4.18Å; P190-F250 VanDerWaalsContact CD-CD2 3.45Å; P190-F250 HydrophobicContact CG-CD1 4.38Å; P190-F250 HydrophobicContact CG-CD2 3.82Å; P190-F250 HydrophobicContact CG-CE1 4.33Å; P190-F250 HydrophobicContact CG-CE2 3.79Å; P190-F250 HydrophobicContact CG-CG 4.14Å; P190-F250 HydrophobicContact CG-CZ 4.06Å; L208-F250 HydrophobicContact CD1-CZ 4.13Å; L208-F250 HydrophobicContact CD2-CD1 4.44Å; L208-F250 HydrophobicContact CD2-CE1 3.49Å; L208-F250 VanDerWaalsContact CD2-CE1 3.49Å; L208-F250 HydrophobicContact CD2-CE2 4.33Å; L208-F250 HydrophobicContact CD2-CZ 3.43Å; L208-F250 VanDerWaalsContact CD2-CZ 3.43Å; L208-F250 HydrophobicContact CG-CZ 4.45Å; F211-F250 HydrophobicContact CD1-CE1 4.11Å; F211-F250 AromaticContact CE1-CD1 3.8Å; F211-F250 HydrophobicContact CE1-CD1 3.8Å; F211-F250 AromaticContact CE1-CE1 3.58Å; F211-F250 HydrophobicContact CE1-CE1 3.58Å; F211-F250 HydrophobicContact CE2-CE1 4.36Å; F211-F250 AromaticContact CZ-CD1 3.69Å; F211-F250 HydrophobicContact CZ-CD1 3.69Å; F211-F250 AromaticContact CZ-CE1 3.74Å; F211-F250 HydrophobicContact CZ-CE1 3.74Å; L216-F250 HydrophobicContact CD2-CE1 4.29Å; L216-F250 HydrophobicContact CD2-CZ 4.22Å; V227-F250 HydrophobicContact CG1-CE2 4.09Å; V227-F250 HydrophobicContact CG1-CZ 4.34Å; K228-F250 WeakPolarHBondContact CA-O 3.36Å; G229-F250 PolarHBondContact N-O 2.83Å; G229-F250 PolarHBondContact O-N 3.26Å; Q248-F250 PolarHBondContact O-N 3.39Å; F250-L252 HydrophobicContact CD2-CG 4.16Å
251S95.1Very high90.9Very high73 Ų7364.5 Ų64.551%0.5135%0.35SS..EExtended strand (participates in β ladder)trans-143.8115.7170.6179.80000108.8
252L95.1Very high91.2Very high30 Ų3063.6 Ų63.616%0.15735%0.347CS..EExtended strand (participates in β ladder)trans-110.3144.1172.8-70.2178.5000109.9P190 Y192 L206 S226 V227 F250 F254P190-L252 HydrophobicContact CG-CD1 3.59Å; P190-L252 HydrophobicContact CG-CG 4.45Å; Y192-L252 HydrophobicContact CD1-CD1 4.26Å; L206-L252 HydrophobicContact CD2-CD1 3.61Å; S226-L252 CarbonylContact C-O 3.4Å; S226-L252 WeakPolarHBondContact CA-O 3.37Å; V227-L252 PolarHBondContact N-O 3.34Å; V227-L252 PolarHBondContact O-N 3.32Å; F250-L252 HydrophobicContact CD2-CG 4.16Å; L252-F254 HydrophobicContact CB-CE2 4.11Å; L252-F254 HydrophobicContact CB-CZ 4.41Å; L252-F254 HydrophobicContact CD1-CZ 4.46Å
253S93.2Very high91.5Very high47 Ų4763.2 Ų63.233%0.32935%0.353SS..EExtended strand (participates in β ladder)trans-129.7140.4173.2-60.80000110.7L225L225-S253 CarbonylContact O-C 3.59Å; L225-S253 VanDerWaalsContact O-CA 3.28Å; L225-S253 WeakPolarHBondContact O-CA 3.36Å
254F94.3Very high91.9Very high11 Ų1158.7 Ų58.75%0.04834%0.339CS..EExtended strand (participates in β ladder)trans-122.7141.1175.5-53.8-91000108.7Y192 I204 L225 V227 L252Y192-F254 AromaticContact CD2-CE1 3.91Å; Y192-F254 HydrophobicContact CD2-CE1 3.91Å; Y192-F254 HydrophobicContact CD2-CZ 4.24Å; Y192-F254 AromaticContact CE2-CE1 3.74Å; Y192-F254 HydrophobicContact CE2-CE1 3.74Å; Y192-F254 HydrophobicContact CE2-CZ 4.43Å; Y192-F254 HydrophobicContact CG-CE1 4.45Å; Y192-F254 HydrophobicContact CG-CZ 4.37Å; I204-F254 HydrophobicContact CD1-CB 4.32Å; I204-F254 HydrophobicContact CD1-CD1 3.98Å; I204-F254 HydrophobicContact CD1-CD2 4.19Å; I204-F254 HydrophobicContact CD1-CE1 4.34Å; I204-F254 HydrophobicContact CD1-CG 3.9Å; I204-F254 HydrophobicContact CG2-CE1 4.13Å; I204-F254 HydrophobicContact CG2-CE2 4.29Å; I204-F254 HydrophobicContact CG2-CZ 3.86Å; L225-F254 HydrophobicContact CB-CB 4.31Å; L225-F254 HydrophobicContact CD2-CD2 4.41Å; L225-F254 PolarHBondContact N-O 2.77Å; L225-F254 PolarHBondContact O-N 3.2Å; V227-F254 HydrophobicContact CG2-CE2 4.27Å; L252-F254 HydrophobicContact CB-CE2 4.11Å; L252-F254 HydrophobicContact CB-CZ 4.41Å; L252-F254 HydrophobicContact CD1-CZ 4.46Å
255T93.2Very high92.3Very high78 Ų7859.5 Ų59.548%0.47934%0.343SS..EExtended strand (participates in β ladder)trans-101.1114.9173-53.10000108.2
256L92.9Very high92.7Very high15 Ų1561.8 Ų61.88%0.07936%0.358CS..  trans-85.4156.8176.8-53.3-172.3000110.3L220 T223 L225 M260 V262 L276L220-L256 HydrophobicContact CD1-CD1 3.85Å; L220-L256 HydrophobicContact CD2-CD1 4.45Å; T223-L256 WeakPolarHBondContact CB-O 3.07Å; T223-L256 PolarHBondContact O-N 3.08Å; L225-L256 HydrophobicContact CB-CD1 4.18Å; L225-L256 HydrophobicContact CB-CD2 4.43Å; L225-L256 HydrophobicContact CB-CG 4.17Å; L225-L256 HydrophobicContact CD2-CD2 4.46Å; L256-M260 HydrophobicContact CB-CB 4.22Å; L256-V262 HydrophobicContact CD1-CG2 4.3Å; L256-L276 HydrophobicContact CD1-CD2 4.14Å; L256-L276 HydrophobicContact CD2-CD1 3.85Å; L256-L276 HydrophobicContact CD2-CD2 4.46Å
257A89.8Confident93.4Very high31 Ų3158.2 Ų58.226%0.25634%0.339SS..  trans-70.6154.7167.200000110N259 M260A257-N259 WeakPolarHBondContact CB-OD1 3.4Å; A257-N259 PolarHBondContact O-N 3.36Å; A257-N259 VanDerWaalsContact O-N 3.09Å; A257-M260 HydrophobicContact CB-CB 4.49Å; A257-M260 HydrophobicContact CB-CG 4.05Å; A257-M260 HydrophobicContact CB-SD 4.04Å; A257-M260 WeakPolarHBondContact O-CB 3.42Å; A257-M260 PolarHBondContact O-N 2.93Å
258E88.4Confident94Very high187 Ų18758.4 Ų58.487%0.87434%0.343SS*.THydrogen-bonded Turntrans-58-26.3179.2-65.7-177.4174.600113.3T223T223-E258 HydrophobicContact CG2-CG 4.17Å
259N89Confident94.3Very high40 Ų4056.6 Ų56.621%0.21434%0.337CS..THydrogen-bonded Turntrans-9814.1-179.880.4-40.7000113.3A257 R278 N279A257-N259 WeakPolarHBondContact CB-OD1 3.4Å; A257-N259 PolarHBondContact O-N 3.36Å; A257-N259 VanDerWaalsContact O-N 3.09Å; N259-R278 VanDerWaalsContact ND2-CG 3.28Å; N259-R278 WeakPolarHBondContact ND2-CG 3.46Å; N259-R278 PolarHBondContact ND2-NE 2.89Å; N259-R278 CarbonylContact O-C 3.55Å; N259-R278 WeakPolarHBondContact O-CA 3.37Å; N259-N279 VanDerWaalsContact CB-O 3.3Å; N259-N279 WeakPolarHBondContact CB-O 3.05Å; N259-N279 PolarHBondContact ND2-O 3.39Å; N259-N279 PolarHBondContact O-N 2.65Å
260M92.7Very high94.3Very high16 Ų1653 Ų538%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-106.9138.8174.6-75.7178.517000110.8I171 Y202 L256 A257 I277 R278I171-M260 HydrophobicContact CD1-CE 4.23Å; I171-M260 HydrophobicContact CD1-SD 4.36Å; Y202-M260 HydrophobicContact CD2-CE 3.97Å; Y202-M260 HydrophobicContact CE1-CE 4.44Å; Y202-M260 HydrophobicContact CE2-CE 3.65Å; L256-M260 HydrophobicContact CB-CB 4.22Å; A257-M260 HydrophobicContact CB-CB 4.49Å; A257-M260 HydrophobicContact CB-CG 4.05Å; A257-M260 HydrophobicContact CB-SD 4.04Å; A257-M260 WeakPolarHBondContact O-CB 3.42Å; A257-M260 PolarHBondContact O-N 2.93Å; M260-I277 CarbonylContact C-O 3.56Å; M260-I277 VanDerWaalsContact CA-O 3.31Å; M260-I277 WeakPolarHBondContact CA-O 3.49Å; M260-R278 HydrophobicContact CE-CB 4.32Å; M260-R278 HydrophobicContact CE-CG 4.36Å; M260-R278 HydrophobicContact CG-CB 4.05Å; M260-R278 HydrophobicContact CG-CG 4.13Å
261E93.1Very high94.4Very high114 Ų11452.9 Ų52.953%0.53331%0.314SS..EExtended strand (participates in β ladder)trans-130.9148.2-179.8-67.8173.4-164.800110.3S263 L276 I277 N279E261-S263 PolarHBondContact O-N 3Å; E261-L276 CarbonylContact O-C 3.57Å; E261-L276 VanDerWaalsContact O-CA 3.28Å; E261-L276 WeakPolarHBondContact O-CA 3.41Å; E261-I277 PolarHBondContact N-O 3.08Å; E261-I277 PolarHBondContact O-N 3.42Å; E261-N279 PolarHBondContact OE1-ND2 3.4Å; E261-N279 VanDerWaalsContact OE1-ND2 3.09Å; E261-N279 PolarHBondContact OE2-ND2 2.91Å
262V96.1Very high94.5Very high51 Ų5149.6 Ų49.631%0.30929%0.291SS..EExtended strand (participates in β ladder)trans-80.3117.2171.9177.90000108.2L220 L225 L256 I274 D275 L276L220-V262 HydrophobicContact CD2-CG2 4.04Å; L225-V262 HydrophobicContact CD1-CG2 4.12Å; L225-V262 HydrophobicContact CD2-CG2 4.49Å; L256-V262 HydrophobicContact CD1-CG2 4.3Å; V262-I274 HydrophobicContact CG1-CG2 3.87Å; V262-I274 HydrophobicContact CG2-CG2 4.34Å; V262-D275 WeakPolarHBondContact CA-O 3.45Å; V262-L276 HydrophobicContact CB-CD2 4.25Å; V262-L276 HydrophobicContact CG2-CD2 3.57Å
263S95.5Very high94.7Very high70 Ų7049.8 Ų49.849%0.4929%0.291SS..EExtended strand (participates in β ladder)trans-87.2-26.517861.50000112.7E261 D275E261-S263 PolarHBondContact O-N 3Å; S263-D275 PolarHBondContact N-O 3.09Å; S263-D275 WeakPolarHBondContact OG-CB 2.89Å; S263-D275 PolarHBondContact OG-O 3.41Å
264G96.8Very high94.9Very high29 Ų2947.6 Ų47.630%0.29928%0.275SS..EExtended strand (participates in β ladder)trans179.5171177.200000113.3D275G264-D275 PolarHBondContact O-N 2.79Å
265A97.9Very high95.1Very high51 Ų5148.9 Ų48.942%0.42128%0.282SS..EExtended strand (participates in β ladder)trans-139.514017200000110.4I218 L272 H273 I274I218-A265 HydrophobicContact CD1-CB 3.76Å; A265-L272 HydrophobicContact CB-CD1 4.41Å; A265-H273 CarbonylContact C-O 3.6Å; A265-H273 WeakPolarHBondContact CA-O 3.33Å; A265-I274 HydrophobicContact CB-CG1 4.33Å
266T97.8Very high95.3Very high69 Ų6945.6 Ų45.642%0.42326%0.262SS..EExtended strand (participates in β ladder)trans-132.8145.417759.20000110.1L272 H273T266-L272 CarbonylContact O-C 3.57Å; T266-L272 WeakPolarHBondContact O-CA 3.2Å; T266-L272 WeakPolarHBondContact O-CD1 3.3Å; T266-H273 PolarHBondContact N-O 2.87Å; T266-H273 PolarHBondContact O-N 2.91Å
267F97.5Very high95.4Very high33 Ų3347.3 Ų47.315%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-125.5109.8178.1-172.1-117.5000109.9L208 F211 Q213 L216 L271 L272L208-F267 HydrophobicContact CB-CE2 4.01Å; L208-F267 HydrophobicContact CB-CZ 4.35Å; L208-F267 HydrophobicContact CD1-CE2 4.24Å; F211-F267 HydrophobicContact CB-CZ 4.46Å; F211-F267 VanDerWaalsContact O-CE1 3.27Å; F211-F267 WeakPolarHBondContact O-CE1 3.31Å; F211-F267 WeakPolarHBondContact O-CZ 3.37Å; Q213-F267 HydrophobicContact CB-CD1 4Å; L216-F267 HydrophobicContact CD1-CD2 3.96Å; L216-F267 HydrophobicContact CD1-CE2 3.95Å; L216-F267 HydrophobicContact CD1-CG 4.27Å; L216-F267 HydrophobicContact CD1-CZ 4.22Å; F267-L271 WeakPolarHBondContact CA-O 3.49Å; F267-L271 VanDerWaalsContact CD2-O 3.28Å; F267-L271 WeakPolarHBondContact CD2-O 3.43Å; F267-L272 HydrophobicContact CB-CD1 4.35Å; F267-L272 HydrophobicContact CD2-CB 3.82Å; F267-L272 HydrophobicContact CD2-CD1 4.46Å; F267-L272 HydrophobicContact CE2-CB 4.33Å
268V95.8Very high95.5Very high80 Ų8048.8 Ų48.849%0.48527%0.269SS..EExtended strand (participates in β ladder)trans-141.3134.1-172.8-176.30000109.5G270 L271V268-G270 PolarHBondContact O-N 3.43Å; V268-G270 VanDerWaalsContact O-N 3.09Å; V268-L271 PolarHBondContact N-O 3.49Å; V268-L271 PolarHBondContact O-N 2.87Å
269N95.4Very high95.5Very high66 Ų6643.2 Ų43.235%0.35325%0.246SC..THydrogen-bonded Turntrans50.336.1177.7-59.3-18.2000113.9A54 G55 G115 L271A54-N269 CarbonylContact C-O 3.43Å; A54-N269 VanDerWaalsContact CA-O 3.26Å; A54-N269 WeakPolarHBondContact CA-O 3.28Å; G55-N269 PolarHBondContact N-O 2.97Å; G115-N269 WeakPolarHBondContact CA-O 3.28Å; N269-L271 VanDerWaalsContact C-N 3.26Å; N269-L271 PolarHBondContact O-N 3.09Å
270G95.4Very high94.8Very high1 Ų147.1 Ų47.11%0.0126%0.263CS..THydrogen-bonded Turntrans74.97.2-177.900000114.9L208 V268L208-G270 CarbonylContact C-O 3.48Å; L208-G270 WeakPolarHBondContact CA-O 3.47Å; L208-G270 PolarHBondContact N-O 2.74Å; V268-G270 PolarHBondContact O-N 3.43Å; V268-G270 VanDerWaalsContact O-N 3.09Å
271L96.9Very high93.4Very high18 Ų1851.4 Ų51.49%0.09429%0.292CS..EExtended strand (participates in β ladder)trans-102.4130.2169.4-63.6-175.3000110.5A54 G55 I90 T205 L206 A207 F267 V268 N269A54-L271 HydrophobicContact CB-CD2 3.89Å; A54-L271 HydrophobicContact CB-CG 4.44Å; G55-L271 VanDerWaalsContact CA-CD1 3.42Å; I90-L271 HydrophobicContact CD1-CD2 4.39Å; T205-L271 HydrophobicContact CG2-CB 4.26Å; T205-L271 HydrophobicContact CG2-CD1 4.14Å; T205-L271 HydrophobicContact CG2-CD2 4.24Å; T205-L271 HydrophobicContact CG2-CG 4.46Å; L206-L271 WeakPolarHBondContact O-CA 3.25Å; A207-L271 HydrophobicContact CB-CD2 3.75Å; F267-L271 WeakPolarHBondContact CA-O 3.49Å; F267-L271 VanDerWaalsContact CD2-O 3.28Å; F267-L271 WeakPolarHBondContact CD2-O 3.43Å; V268-L271 PolarHBondContact N-O 3.49Å; V268-L271 PolarHBondContact O-N 2.87Å; N269-L271 VanDerWaalsContact C-N 3.26Å; N269-L271 PolarHBondContact O-N 3.09Å
272L98.2Very high92Very high5 Ų554.6 Ų54.63%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-96.8116.8167.3175.862000109.1T205 L206 L208 L216 I218 V227 A265 T266 F267 I274T205-L272 CarbonylContact C-O 3.39Å; T205-L272 VanDerWaalsContact CA-O 3.26Å; T205-L272 WeakPolarHBondContact CA-O 3.47Å; L206-L272 HydrophobicContact CB-CB 4.37Å; L206-L272 HydrophobicContact CD1-CB 4.44Å; L206-L272 HydrophobicContact CD1-CD2 4.15Å; L206-L272 HydrophobicContact CD1-CG 4.33Å; L206-L272 PolarHBondContact N-O 2.89Å; L206-L272 PolarHBondContact O-N 2.78Å; L208-L272 HydrophobicContact CD1-CB 3.76Å; L208-L272 HydrophobicContact CD1-CD2 4.1Å; L216-L272 HydrophobicContact CD1-CD2 4.44Å; I218-L272 HydrophobicContact CD1-CD1 3.97Å; I218-L272 HydrophobicContact CD1-CD2 3.89Å; I218-L272 HydrophobicContact CD1-CG 4.45Å; I218-L272 HydrophobicContact CG1-CD2 4.34Å; V227-L272 HydrophobicContact CG1-CD2 3.79Å; A265-L272 HydrophobicContact CB-CD1 4.41Å; T266-L272 CarbonylContact O-C 3.57Å; T266-L272 WeakPolarHBondContact O-CA 3.2Å; T266-L272 WeakPolarHBondContact O-CD1 3.3Å; F267-L272 HydrophobicContact CB-CD1 4.35Å; F267-L272 HydrophobicContact CD2-CB 3.82Å; F267-L272 HydrophobicContact CD2-CD1 4.46Å; F267-L272 HydrophobicContact CE2-CB 4.33Å; L272-I274 HydrophobicContact CD2-CD1 4.24Å; L272-I274 HydrophobicContact CD2-CG1 4.38Å; L272-I274 HydrophobicContact CG-CG1 4.15Å
273H98.1Very high90.3Very high34 Ų3458 Ų5816%0.15733%0.33CS..EExtended strand (participates in β ladder)trans-101.5127.1172-53.9-67.2000109.4R203 I204 T205 A265 T266R203-H273 HydrophobicContact CG-CB 4.36Å; I204-H273 CarbonylContact O-C 3.55Å; I204-H273 WeakPolarHBondContact O-CA 3.3Å; T205-H273 WeakPolarHBondContact CG2-ND1 3.39Å; T205-H273 PolarHBondContact OG1-ND1 2.8Å; A265-H273 CarbonylContact C-O 3.6Å; A265-H273 WeakPolarHBondContact CA-O 3.33Å; T266-H273 PolarHBondContact N-O 2.87Å; T266-H273 PolarHBondContact O-N 2.91Å
274I98.4Very high88.7Confident0 Ų062.5 Ų62.50%035%0.347CS..EExtended strand (participates in β ladder)trans-116.3115.4172.5-55175.3000107.1R203 I204 L206 I218 L225 V227 V262 A265 L272 L276R203-I274 WeakPolarHBondContact CA-O 3.28Å; I204-I274 HydrophobicContact CB-CB 4.4Å; I204-I274 PolarHBondContact N-O 2.82Å; I204-I274 PolarHBondContact O-N 2.8Å; L206-I274 HydrophobicContact CD1-CD1 4.24Å; I218-I274 HydrophobicContact CD1-CD1 4.17Å; I218-I274 HydrophobicContact CD1-CG1 4.31Å; I218-I274 HydrophobicContact CG2-CD1 4.28Å; L225-I274 HydrophobicContact CD2-CD1 4.27Å; L225-I274 HydrophobicContact CD2-CG2 4.16Å; V227-I274 HydrophobicContact CG2-CD1 3.59Å; V262-I274 HydrophobicContact CG1-CG2 3.87Å; V262-I274 HydrophobicContact CG2-CG2 4.34Å; A265-I274 HydrophobicContact CB-CG1 4.33Å; L272-I274 HydrophobicContact CD2-CD1 4.24Å; L272-I274 HydrophobicContact CD2-CG1 4.38Å; L272-I274 HydrophobicContact CG-CG1 4.15Å; I274-L276 HydrophobicContact CG2-CD2 4.11Å
275D98.2Very high87.2Confident38 Ų3865.1 Ų65.120%0.20337%0.365CS..EExtended strand (participates in β ladder)trans-89.7132.2-179.4-69.5-43.8000110.2R203 V262 S263 G264R203-D275 IonicContact CZ-OD1 2.72Å; R203-D275 IonicContact CZ-OD2 3.7Å; R203-D275 IonicContact NE-OD1 2.78Å; R203-D275 PolarHBondContact NE-OD1 2.75Å; R203-D275 VanDerWaalsContact NH2-CG 3.31Å; R203-D275 IonicContact NH2-OD1 3.88Å; R203-D275 PolarHBondContact NH2-OD1 3.01Å; R203-D275 IonicContact NH2-OD2 4Å; R203-D275 PolarHBondContact NH2-OD2 3.19Å; R203-D275 VanDerWaalsContact NH2-OD2 3.08Å; V262-D275 WeakPolarHBondContact CA-O 3.45Å; S263-D275 PolarHBondContact N-O 3.09Å; S263-D275 WeakPolarHBondContact OG-CB 2.89Å; S263-D275 PolarHBondContact OG-O 3.41Å; G264-D275 PolarHBondContact O-N 2.79Å
276L96.8Very high85.9Confident9 Ų967.5 Ų67.55%0.04739%0.385CS..EExtended strand (participates in β ladder)trans-123.5137.7-178.3-53.5175.9000109.6Y202 I204 L256 E261 V262 I274Y202-L276 PolarHBondContact N-O 2.73Å; Y202-L276 PolarHBondContact O-N 3.34Å; I204-L276 HydrophobicContact CD1-CD1 3.9Å; I204-L276 HydrophobicContact CG1-CD1 4.03Å; L256-L276 HydrophobicContact CD1-CD2 4.14Å; L256-L276 HydrophobicContact CD2-CD1 3.85Å; L256-L276 HydrophobicContact CD2-CD2 4.46Å; E261-L276 CarbonylContact O-C 3.57Å; E261-L276 VanDerWaalsContact O-CA 3.28Å; E261-L276 WeakPolarHBondContact O-CA 3.41Å; V262-L276 HydrophobicContact CB-CD2 4.25Å; V262-L276 HydrophobicContact CG2-CD2 3.57Å; I274-L276 HydrophobicContact CG2-CD2 4.11Å
277I95.7Very high84.6Confident51 Ų5172.5 Ų72.526%0.26240%0.404SS..EExtended strand (participates in β ladder)trans-118.3134.6174.6-59.2176.8000108.5N200 M260 E261N200-I277 CarbonylContact O-C 3.47Å; N200-I277 VanDerWaalsContact O-CA 3.3Å; N200-I277 WeakPolarHBondContact O-CA 3.09Å; M260-I277 CarbonylContact C-O 3.56Å; M260-I277 VanDerWaalsContact CA-O 3.31Å; M260-I277 WeakPolarHBondContact CA-O 3.49Å; E261-I277 PolarHBondContact N-O 3.08Å; E261-I277 PolarHBondContact O-N 3.42Å
278R92.6Very high83.4Confident62 Ų6282.7 Ų82.723%0.23444%0.442CS..EExtended strand (participates in β ladder)trans-99116.8172.5-173.2-178.2-177.4-131.4-3.6109.1N200 Y202 N259 M260 E280N200-R278 PolarHBondContact O-N 3.37Å; N200-R278 PolarHBondContact OD1-O 3.16Å; Y202-R278 HydrophobicContact CE2-CB 4.02Å; N259-R278 VanDerWaalsContact ND2-CG 3.28Å; N259-R278 WeakPolarHBondContact ND2-CG 3.46Å; N259-R278 PolarHBondContact ND2-NE 2.89Å; N259-R278 CarbonylContact O-C 3.55Å; N259-R278 WeakPolarHBondContact O-CA 3.37Å; M260-R278 HydrophobicContact CE-CB 4.32Å; M260-R278 HydrophobicContact CE-CG 4.36Å; M260-R278 HydrophobicContact CG-CB 4.05Å; M260-R278 HydrophobicContact CG-CG 4.13Å; R278-E280 IonicContact NH1-OE1 3.59Å
279N87.4Confident82.6Confident70 Ų7086.2 Ų86.237%0.37446%0.456SS..  trans-87.1113.1174.8-65.3-32.2000108.4N259 E261N259-N279 VanDerWaalsContact CB-O 3.3Å; N259-N279 WeakPolarHBondContact CB-O 3.05Å; N259-N279 PolarHBondContact ND2-O 3.39Å; N259-N279 PolarHBondContact O-N 2.65Å; E261-N279 PolarHBondContact OE1-ND2 3.4Å; E261-N279 VanDerWaalsContact OE1-ND2 3.09Å; E261-N279 PolarHBondContact OE2-ND2 2.91Å
280E73.9Confident81.6Confident122 Ų12287 Ų8757%0.5747%0.472SS*.PPolyproline II helixtrans-77.6125.2170-62.5-165148.700108.9R278 E282R278-E280 IonicContact NH1-OE1 3.59Å; E280-E282 PolarHBondContact O-N 3.5Å
281P63.3Low80.8Confident107 Ų10795.1 Ų95.170%0.69551%0.513SS*.PPolyproline II helixtrans-62.8135173.223.7-29.6000109.2
282E64.1Low79.4Confident180 Ų18099.1 Ų99.184%0.84154%0.543SS*.PPolyproline II helixtrans-50.5129.3173.8-77.1-173.2156.700109.1E280 I284E280-E282 PolarHBondContact O-N 3.5Å; E282-I284 PolarHBondContact O-N 2.8Å
283P60.3Low78.1Confident124 Ų124108 Ų10881%0.80558%0.584SS**  trans-60.5111.2175.723.4-30.7000107.3A285P283-A285 PolarHBondContact O-N 2.89Å
284I62.1Low76.7Confident164 Ų164117.9 Ų117.984%0.84162%0.62SS**  trans-53.1106.7175.1-55.3170.7000105.8E282 A286E282-I284 PolarHBondContact O-N 2.8Å; I284-A286 PolarHBondContact O-N 2.9Å; I284-A286 VanDerWaalsContact O-N 3.09Å
285A66Low75Confident83 Ų83123.4 Ų123.469%0.68666%0.656SS**  trans-55.1123.5-176.800000107.7P283 Q287P283-A285 PolarHBondContact O-N 2.89Å; A285-Q287 PolarHBondContact O-N 3.09Å
286A69.7Low73.5Confident102 Ų102125.6 Ų125.684%0.84368%0.679SS**  trans-52.2111.2-178.100000109.4I284 R288I284-A286 PolarHBondContact O-N 2.9Å; I284-A286 VanDerWaalsContact O-N 3.09Å; A286-R288 PolarHBondContact O-N 3.15Å
287Q71.4Confident72Confident174 Ų174133.2 Ų133.281%0.81372%0.719SS**  trans-72.4117.4175.6-74.9-172.2-600108.2A285 I289A285-Q287 PolarHBondContact O-N 3.09Å; Q287-I289 PolarHBondContact O-N 3.25Å; Q287-I289 VanDerWaalsContact O-N 3.15Å
288R71.2Confident70.6Confident247 Ų247138.4 Ų138.493%0.93275%0.747SS**  trans-68.4110.4167.5-80-178.5168.9177.2-2.7108.3A286 A290A286-R288 PolarHBondContact O-N 3.15Å; R288-A290 PolarHBondContact O-N 3.3Å
289I79.7Confident69.2Low154 Ų154144.5 Ų144.579%0.7980%0.799SS**  trans-75.3111.6172-56.6175.5000107.2Q287 I291Q287-I289 PolarHBondContact O-N 3.25Å; Q287-I289 VanDerWaalsContact O-N 3.15Å; I289-I291 PolarHBondContact O-N 3.39Å
290A74.6Confident68.3Low83 Ų83148.2 Ų148.269%0.68682%0.821SS**  trans-72.7125171.100000109.1R288 S292R288-A290 PolarHBondContact O-N 3.3Å; A290-S292 PolarHBondContact O-N 3.47Å
291I78.1Confident68Low170 Ų170149.6 Ų149.687%0.87283%0.834SS**  trans-79.2112.1171.8-57.6173.5000106.9I289I289-I291 PolarHBondContact O-N 3.39Å
292S67.3Low68.2Low103 Ų103151.9 Ų151.972%0.7284%0.842SS**PPolyproline II helixtrans-100.7139.6170.5-54.50000110A290 R294A290-S292 PolarHBondContact O-N 3.47Å; S292-R294 PolarHBondContact O-N 3.21Å
293E70.1Confident68.5Low192 Ų192150.3 Ų150.390%0.89784%0.842SS**PPolyproline II helixtrans-62.4118.6176.3-66.1-175172.800109.6
294R70Confident69Low240 Ų240151.9 Ų151.991%0.90684%0.844SS**PPolyproline II helixtrans-64.6124.8175.1-123.6178.8-168.2157.53107.7S292 A296S292-R294 PolarHBondContact O-N 3.21Å; R294-A296 PolarHBondContact O-N 2.96Å
295P63.3Low69.4Low116 Ų116151.1 Ų151.175%0.75384%0.844SS**PPolyproline II helixtrans-61.4130.1171.3-6.618.7000107.8L297P295-L297 PolarHBondContact O-N 3.27Å
296A66.6Low69.7Low84 Ų84156 Ų15669%0.69486%0.855SS**PPolyproline II helixtrans-51.6129.5178.300000109.4R294 N298R294-A296 PolarHBondContact O-N 2.96Å; A296-N298 PolarHBondContact O-N 3.26Å
297L64Low69.7Low170 Ų170160.2 Ų160.289%0.8986%0.856SS**  trans-60107.3171.9-79.4158.8000107.2P295 S299P295-L297 PolarHBondContact O-N 3.27Å; L297-S299 PolarHBondContact O-N 3.04Å
298N65.8Low69.5Low159 Ų159159 Ų15985%0.8586%0.86SS**  trans-67.2103.3169.3-70.1-25.6000106.9A296A296-N298 PolarHBondContact O-N 3.26Å
299S63.8Low69.4Low190 Ų190151 Ų151100%1.32985%0.853SS**  trans-66.10166.2-61.40000111.6L297L297-S299 PolarHBondContact O-N 3.04Å

Retrieved 299 of 299 residues in 196.8 ms (Link to these results)