X6R6V8_HUMAN Loading...

Nucleoporin 210 like

AlphaFold DB , UniProt , Accession X6R6V8, Species HUMAN (Homo sapiens, Human), Gene NUP210L, Length 669 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M46.8Very low70Confident252 Ų252162.2 Ų162.2100%1.24183%0.828SS**  0116.20-72.8-175.1178.900108.5
2G58.4Low70.7Confident83 Ų83160.6 Ų160.686%0.85682%0.82SS**PPolyproline II helixtrans-93.7127.5173.700000110.5
3R59.4Low71.3Confident213 Ų213157.5 Ų157.580%0.80480%0.801SS**PPolyproline II helixtrans-79.7123174.4-88.2179.8172.3167.4-2.8109.7Y5R3-Y5 HydrophobicContact CB-CE2 3.97Å
4K68.7Low72.1Confident190 Ų190155.7 Ų155.783%0.82680%0.801SS**PPolyproline II helixtrans-87.2122.5172.6-167.1176.9-177.1-179.70108.5
5Y70.3Confident72.8Confident192 Ų192149.5 Ų149.575%0.75377%0.766SS**PPolyproline II helixtrans-100.4136.4171.2-64.9-89.2000108.5R3R3-Y5 HydrophobicContact CB-CE2 3.97Å
6T73.3Confident73.6Confident124 Ų124145.4 Ų145.476%0.76175%0.752SS**  trans-127.6132.8177.449.70000109
7S81.2Confident74.4Confident113 Ų113141.9 Ų141.979%0.7974%0.74SS**PPolyproline II helixtrans-103164.2171.566.40000110.8
8T79.9Confident75.4Confident109 Ų109134.6 Ų134.667%0.66970%0.702SS**PPolyproline II helixtrans-65.8139.4169.9470000110.4R10T8-R10 PolarHBondContact O-N 3.47Å
9P76.8Confident76.3Confident131 Ų131134.3 Ų134.385%0.85169%0.69SS**PPolyproline II helixtrans-59.8134.7174.1-22.232.7000111.1
10R79Confident77.1Confident214 Ų214127.6 Ų127.681%0.80866%0.656SS**  trans-109.1136.7171.4-76-80-176.31650108.7T8T8-R10 PolarHBondContact O-N 3.47Å
11H75.9Confident77.9Confident163 Ų163124.8 Ų124.876%0.75564%0.642SS**  trans-70.5127.6172.5-163.4-97000109E13H11-E13 VanDerWaalsContact CE1-CG 3.48Å; H11-E13 WeakPolarHBondContact CE1-CG 3.48Å; H11-E13 IonicContact CE1-OE1 2.88Å; H11-E13 PolarHBondContact CE1-OE1 3.15Å; H11-E13 IonicContact ND1-OE1 3.68Å
12I79.3Confident80.2Confident143 Ų143114.9 Ų114.973%0.73360%0.596SS**  trans-120122.2178.1-59.6175.4000107.3V14I12-V14 HydrophobicContact CG2-CG2 4.24Å
13E77.9Confident81.8Confident121 Ų121118.2 Ų118.257%0.56559%0.59SS**  trans-109.5133.6171.7-65.3-179.8172.800108.9H11 F15H11-E13 VanDerWaalsContact CE1-CG 3.48Å; H11-E13 WeakPolarHBondContact CE1-CG 3.48Å; H11-E13 IonicContact CE1-OE1 2.88Å; H11-E13 PolarHBondContact CE1-OE1 3.15Å; H11-E13 IonicContact ND1-OE1 3.68Å; E13-F15 HydrophobicContact CB-CE2 3.79Å; E13-F15 HydrophobicContact CB-CZ 3.73Å; E13-F15 VanDerWaalsContact OE2-CZ 3.31Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.32Å
14V82Confident83.5Confident132 Ų132113 Ų11380%0.857%0.573SS**  trans-115.2126179.7-177.50000108.1I12I12-V14 HydrophobicContact CG2-CG2 4.24Å
15F83Confident84.8Confident62 Ų62104.1 Ų104.127%0.27254%0.535SS..  trans-114.6154.4-178.2-57.8-75000111.3E13 P41E13-F15 HydrophobicContact CB-CE2 3.79Å; E13-F15 HydrophobicContact CB-CZ 3.73Å; E13-F15 VanDerWaalsContact OE2-CZ 3.31Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.32Å; F15-P41 HydrophobicContact CD2-CB 3.93Å; F15-P41 HydrophobicContact CD2-CG 4.02Å; F15-P41 HydrophobicContact CE1-CB 4.42Å; F15-P41 HydrophobicContact CE2-CB 3.7Å; F15-P41 HydrophobicContact CE2-CG 4.17Å; F15-P41 HydrophobicContact CG-CB 4.38Å; F15-P41 HydrophobicContact CZ-CB 3.95Å
16P85.9Confident86Confident85 Ų8595.4 Ų95.455%0.55250%0.501SS*.PPolyproline II helixtrans-56.5151166.5-21.332.7000111.3F18 G40P16-F18 PolarHBondContact O-N 3.01Å; P16-G40 PolarHBondContact O-N 3.07Å
17P87.9Confident87.1Confident85 Ų8589.5 Ų89.555%0.55247%0.465SS*.PPolyproline II helixtrans-59.6135179.426.5-34.2000110.1R19P17-R19 PolarHBondContact O-N 3.23Å
18F90.8Very high87.8Confident11 Ų1184.1 Ų84.15%0.04843%0.427CS..PPolyproline II helixtrans-66.2124.6172.3174-111.7000109.2P16 L20 E38 V47 G77 I79 S93 D95P16-F18 PolarHBondContact O-N 3.01Å; F18-L20 HydrophobicContact CE1-CD2 4.17Å; F18-L20 HydrophobicContact CE1-CG 4.3Å; F18-L20 HydrophobicContact CE2-CD2 4.25Å; F18-L20 HydrophobicContact CZ-CD2 3.61Å; F18-L20 HydrophobicContact CZ-CG 4.23Å; F18-E38 WeakPolarHBondContact CA-O 3.49Å; F18-V47 HydrophobicContact CE2-CG1 4.32Å; F18-V47 HydrophobicContact CE2-CG2 3.78Å; F18-V47 HydrophobicContact CZ-CG1 3.77Å; F18-V47 HydrophobicContact CZ-CG2 4.08Å; F18-G77 WeakPolarHBondContact CE1-O 3.38Å; F18-I79 HydrophobicContact CB-CD1 4.18Å; F18-I79 HydrophobicContact CD1-CD1 4.47Å; F18-I79 HydrophobicContact CD2-CD1 3.49Å; F18-I79 VanDerWaalsContact CD2-CD1 3.49Å; F18-I79 HydrophobicContact CD2-CG1 4.08Å; F18-I79 HydrophobicContact CE2-CD1 3.89Å; F18-I79 HydrophobicContact CE2-CG1 4.02Å; F18-I79 HydrophobicContact CG-CD1 3.79Å; F18-I79 HydrophobicContact CG-CG1 4.3Å; F18-I79 HydrophobicContact CZ-CG1 4.25Å; F18-S93 WeakPolarHBondContact CB-OG 3.31Å; F18-D95 HydrophobicContact CD1-CB 3.93Å; F18-D95 HydrophobicContact CE1-CB 4.01Å
19R92.5Very high88.5Confident128 Ų12879.1 Ų79.148%0.48340%0.397SS..EExtended strand (participates in β ladder)trans-133.7143.1178.3-66.5-178.3175.5-172.6-4.1111.6P17 S37 E38 D95P17-R19 PolarHBondContact O-N 3.23Å; R19-S37 CarbonylContact O-C 3.58Å; R19-S37 VanDerWaalsContact O-CA 3.27Å; R19-S37 WeakPolarHBondContact O-CA 3.45Å; R19-E38 HydrophobicContact CB-CG 3.78Å; R19-E38 PolarHBondContact N-O 3.22Å; R19-E38 PolarHBondContact O-N 2.97Å; R19-D95 WeakPolarHBondContact CA-OD2 3.47Å
20L93.7Very high89.3Confident1 Ų175.9 Ų75.91%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-100.2138.4170.6-63.3-178.3000110.3F18 V35 M36 F49 D95 V97F18-L20 HydrophobicContact CE1-CD2 4.17Å; F18-L20 HydrophobicContact CE1-CG 4.3Å; F18-L20 HydrophobicContact CE2-CD2 4.25Å; F18-L20 HydrophobicContact CZ-CD2 3.61Å; F18-L20 HydrophobicContact CZ-CG 4.23Å; L20-V35 HydrophobicContact CB-CG1 3.83Å; L20-V35 HydrophobicContact CD1-CG1 4.21Å; L20-V35 HydrophobicContact CD2-CG1 3.96Å; L20-V35 HydrophobicContact CG-CG1 4.21Å; L20-M36 CarbonylContact C-O 3.53Å; L20-M36 VanDerWaalsContact CA-O 3.3Å; L20-M36 WeakPolarHBondContact CA-O 3.4Å; L20-F49 HydrophobicContact CD2-CE1 3.97Å; L20-D95 HydrophobicContact CD1-CB 4.48Å; L20-D95 WeakPolarHBondContact CD1-O 3.48Å; L20-D95 HydrophobicContact CG-CB 4.09Å; L20-D95 PolarHBondContact N-OD2 3.2Å; L20-V97 HydrophobicContact CB-CG2 3.45Å; L20-V97 VanDerWaalsContact CB-CG2 3.45Å; L20-V97 HydrophobicContact CD1-CG2 4.02Å; L20-V97 HydrophobicContact CG-CG2 4.4Å
21L93.3Very high90Very high68 Ų6865.7 Ų65.736%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-129137.8-178.2-65.1176.6000111.1M36 E38L21-M36 PolarHBondContact N-O 2.92Å; L21-M36 PolarHBondContact O-N 3.05Å; L21-E38 HydrophobicContact CD1-CG 4.1Å
22P94.3Very high91Very high44 Ų4460.5 Ų60.529%0.28631%0.309SS..  cis-76.1163-6.233.7-36.5000112.9K24 M25 M33 V97P22-K24 VanDerWaalsContact C-N 3.34Å; P22-K24 PolarHBondContact O-N 3.28Å; P22-M25 HydrophobicContact CG-CB 4.5Å; P22-M25 HydrophobicContact CG-CG 4.32Å; P22-M33 HydrophobicContact CG-CE 3.96Å; P22-V97 WeakPolarHBondContact O-CG1 3.48Å; P22-V97 VanDerWaalsContact O-CG2 3.26Å; P22-V97 WeakPolarHBondContact O-CG2 3.46Å
23E93.5Very high91.7Very high153 Ų15355.6 Ų55.672%0.71528%0.284SS*.SBendtrans-65.5-33.8176.9-66179.6-179.800113.2Q98E23-Q98 PolarHBondContact O-N 2.8Å
24K94.8Very high92.5Very high104 Ų10453.7 Ų53.745%0.45228%0.275SS..EExtended strand (participates in β ladder)trans-132.3138.5176.6-174.1173.9178.7-177.30110.5P22 Q98 E100P22-K24 VanDerWaalsContact C-N 3.34Å; P22-K24 PolarHBondContact O-N 3.28Å; K24-Q98 CarbonylContact C-O 3.5Å; K24-Q98 WeakPolarHBondContact CA-O 3.3Å; K24-Q98 HydrophobicContact CB-CB 4.48Å; K24-Q98 HydrophobicContact CG-CB 4.23Å; K24-E100 WeakPolarHBondContact CE-OE2 3.34Å; K24-E100 IonicContact NZ-OE2 3.15Å; K24-E100 PolarHBondContact NZ-OE2 3.45Å
25M94.7Very high93.1Very high4 Ų447.6 Ų47.62%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-131.6129.7-177.3-149.2175.8101.600110.6P22 L27 M33 V65 V97 Q98 I99 E100P22-M25 HydrophobicContact CG-CB 4.5Å; P22-M25 HydrophobicContact CG-CG 4.32Å; M25-L27 HydrophobicContact CE-CD1 3.26Å; M25-L27 HydrophobicContact CE-CD2 3.52Å; M25-L27 HydrophobicContact CE-CG 3.31Å; M25-M33 HydrophobicContact CE-CB 3.38Å; M25-M33 HydrophobicContact CE-CG 4.23Å; M25-M33 HydrophobicContact CE-SD 4.18Å; M25-M33 HydrophobicContact CG-CE 4.48Å; M25-M33 HydrophobicContact CG-SD 3.48Å; M25-M33 WeakPolarHBondContact CG-SD 3.4Å; M25-M33 HydrophobicContact SD-CB 3.68Å; M25-M33 HydrophobicContact SD-CG 3.88Å; M25-M33 HydrophobicContact SD-SD 3.54Å; M25-V65 HydrophobicContact CE-CB 4.07Å; M25-V65 HydrophobicContact CE-CG1 4.33Å; M25-V97 HydrophobicContact CB-CG1 4.35Å; M25-Q98 PolarHBondContact N-O 2.88Å; M25-I99 HydrophobicContact CB-CD1 3.63Å; M25-I99 HydrophobicContact CE-CD1 4.25Å; M25-I99 HydrophobicContact CG-CD1 4.48Å; M25-I99 CarbonylContact O-C 3.5Å; M25-I99 WeakPolarHBondContact O-CA 3.28Å; M25-I99 HydrophobicContact SD-CD1 4.13Å; M25-E100 PolarHBondContact O-N 2.83Å
26T96.4Very high93.6Very high9 Ų949.9 Ų49.96%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-110.1130.4172.5-58.90000109E100 V102 Q133 S137T26-E100 CarbonylContact C-O 3.43Å; T26-E100 VanDerWaalsContact CA-O 3.28Å; T26-E100 WeakPolarHBondContact CA-O 3.44Å; T26-V102 HydrophobicContact CG2-CG1 4.42Å; T26-V102 HydrophobicContact CG2-CG2 3.59Å; T26-Q133 HydrophobicContact CG2-CG 4.12Å; T26-S137 VanDerWaalsContact O-CA 3.32Å; T26-S137 WeakPolarHBondContact O-CA 3.44Å; T26-S137 WeakPolarHBondContact O-CB 3.46Å; T26-S137 PolarHBondContact O-OG 3.13Å
27L96.7Very high93.8Very high0 Ų048.6 Ų48.60%024%0.244CC..EExtended strand (participates in β ladder)trans-128.1153.3-179.3-74179.6000110.6M25 N31 M33 V65 I99 E100 V101 V102M25-L27 HydrophobicContact CE-CD1 3.26Å; M25-L27 HydrophobicContact CE-CD2 3.52Å; M25-L27 HydrophobicContact CE-CG 3.31Å; L27-N31 HydrophobicContact CD2-CB 4.14Å; L27-N31 WeakPolarHBondContact CD2-ND2 3.22Å; L27-M33 HydrophobicContact CD2-CB 4.15Å; L27-V65 HydrophobicContact CD1-CG1 4.17Å; L27-I99 HydrophobicContact CD1-CG2 4.38Å; L27-E100 PolarHBondContact N-O 3.42Å; L27-V101 HydrophobicContact CB-CG2 4.44Å; L27-V101 CarbonylContact O-C 3.49Å; L27-V101 VanDerWaalsContact O-CA 3.25Å; L27-V101 WeakPolarHBondContact O-CA 3.42Å; L27-V102 PolarHBondContact O-N 2.8Å
28I95.1Very high93.8Very high0 Ų048.9 Ų48.90%024%0.238CC..  trans-92.7160.6158.671.9166.6000110M30 N31 V102 L104 S137 F138 A141 L145 Q203I28-M30 PolarHBondContact O-N 2.86Å; I28-N31 HydrophobicContact CG1-CB 3.74Å; I28-N31 WeakPolarHBondContact O-CB 3.27Å; I28-N31 PolarHBondContact O-N 3.37Å; I28-N31 VanDerWaalsContact O-N 3.13Å; I28-V102 WeakPolarHBondContact CA-O 2.95Å; I28-L104 HydrophobicContact CD1-CD1 4.43Å; I28-L104 HydrophobicContact CG2-CD1 4.14Å; I28-L104 HydrophobicContact CG2-CD2 4.1Å; I28-L104 HydrophobicContact CG2-CG 3.74Å; I28-S137 WeakPolarHBondContact CG1-O 3.48Å; I28-S137 PolarHBondContact N-O 3.36Å; I28-F138 HydrophobicContact CD1-CB 3.48Å; I28-F138 VanDerWaalsContact CD1-CB 3.48Å; I28-F138 HydrophobicContact CG1-CB 3.82Å; I28-F138 HydrophobicContact CG2-CB 4.06Å; I28-A141 HydrophobicContact CD1-CB 4.1Å; I28-A141 HydrophobicContact CG1-CB 4.44Å; I28-L145 HydrophobicContact CD1-CD1 3.96Å; I28-L145 HydrophobicContact CD1-CG 4.48Å; I28-Q203 HydrophobicContact CD1-CB 4.08Å; I28-Q203 HydrophobicContact CD1-CG 3.98Å
29P94.8Very high93.6Very high4 Ų450.2 Ų50.23%0.02626%0.255CS..THydrogen-bonded Turntrans-49.7137.4169.3-3442.2000112.5N31 V101 V102 S201 G202 Q203P29-N31 PolarHBondContact O-N 3.38Å; P29-V101 HydrophobicContact CG-CG1 3.99Å; P29-V102 WeakPolarHBondContact CD-O 3.06Å; P29-S201 WeakPolarHBondContact CB-O 3.4Å; P29-G202 WeakPolarHBondContact CG-O 3.32Å; P29-Q203 WeakPolarHBondContact O-CG 3.26Å; P29-Q203 PolarHBondContact O-NE2 2.9Å
30M93.3Very high93.1Very high63 Ų6344.3 Ų44.331%0.3123%0.234SC..THydrogen-bonded Turntrans69.3-1.6-178.1-48.4-58.5128.100116.5I28 G67 A141 N142I28-M30 PolarHBondContact O-N 2.86Å; M30-G67 PolarHBondContact N-O 2.91Å; M30-A141 VanDerWaalsContact O-CA 3.32Å; M30-A141 WeakPolarHBondContact O-CA 3.44Å; M30-N142 WeakPolarHBondContact CB-O 3.37Å; M30-N142 PolarHBondContact O-N 3.38Å; M30-N142 VanDerWaalsContact O-N 3.13Å
31N94.9Very high92.4Very high0 Ų045.6 Ų45.60%024%0.242CC..  trans-81.7149.7171.8-166.283000111.3L27 I28 P29 T66 G67 F136 S137 F138 S139 N140 A141L27-N31 HydrophobicContact CD2-CB 4.14Å; L27-N31 WeakPolarHBondContact CD2-ND2 3.22Å; I28-N31 HydrophobicContact CG1-CB 3.74Å; I28-N31 WeakPolarHBondContact O-CB 3.27Å; I28-N31 PolarHBondContact O-N 3.37Å; I28-N31 VanDerWaalsContact O-N 3.13Å; P29-N31 PolarHBondContact O-N 3.38Å; N31-T66 WeakPolarHBondContact O-CA 3.39Å; N31-G67 PolarHBondContact O-N 2.9Å; N31-F136 PolarHBondContact ND2-O 2.8Å; N31-S137 VanDerWaalsContact CB-O 3.24Å; N31-S137 WeakPolarHBondContact CB-O 3.15Å; N31-S137 PolarHBondContact ND2-O 3.21Å; N31-S137 VanDerWaalsContact ND2-O 3.13Å; N31-F138 WeakPolarHBondContact OD1-CA 3.32Å; N31-F138 PolarHBondContact OD1-N 3.12Å; N31-F138 PolarHBondContact OD1-O 2.87Å; N31-S139 PolarHBondContact OD1-N 2.87Å; N31-N140 PolarHBondContact ND2-OD1 3.06Å; N31-N140 PolarHBondContact OD1-N 2.67Å; N31-N140 VanDerWaalsContact OD1-N 3.15Å; N31-N140 PolarHBondContact OD1-OD1 3.22Å; N31-A141 HydrophobicContact CB-CB 4.05Å; N31-A141 PolarHBondContact OD1-N 2.96Å
32M95.4Very high91.4Very high53 Ų5349.7 Ų49.726%0.26126%0.259SS..EExtended strand (participates in β ladder)trans-125.4135.8-180-178.1-80.8-6700110.9Q64 V65 N140M32-Q64 HydrophobicContact CG-CB 4.07Å; M32-Q64 HydrophobicContact SD-CB 3.76Å; M32-Q64 HydrophobicContact SD-CG 3.92Å; M32-V65 VanDerWaalsContact CA-O 3.28Å; M32-V65 WeakPolarHBondContact CA-O 3.09Å; M32-N140 PolarHBondContact N-OD1 3.06Å; M32-N140 VanDerWaalsContact O-CG 3.3Å; M32-N140 PolarHBondContact O-ND2 3.26Å; M32-N140 PolarHBondContact O-OD1 2.91Å
33M95.1Very high89.8Confident40 Ų4053.7 Ų53.720%0.19729%0.286CS..EExtended strand (participates in β ladder)trans-137151.1167.7-168.8-176.916800109.1P22 M25 L27 V65 F136P22-M33 HydrophobicContact CG-CE 3.96Å; M25-M33 HydrophobicContact CE-CB 3.38Å; M25-M33 HydrophobicContact CE-CG 4.23Å; M25-M33 HydrophobicContact CE-SD 4.18Å; M25-M33 HydrophobicContact CG-CE 4.48Å; M25-M33 HydrophobicContact CG-SD 3.48Å; M25-M33 WeakPolarHBondContact CG-SD 3.4Å; M25-M33 HydrophobicContact SD-CB 3.68Å; M25-M33 HydrophobicContact SD-CG 3.88Å; M25-M33 HydrophobicContact SD-SD 3.54Å; L27-M33 HydrophobicContact CD2-CB 4.15Å; M33-V65 PolarHBondContact N-O 2.73Å; M33-V65 PolarHBondContact O-N 2.86Å; M33-F136 HydrophobicContact CE-CB 4.36Å; M33-F136 HydrophobicContact CE-CD1 4.34Å; M33-F136 HydrophobicContact CE-CG 4.35Å; M33-F136 HydrophobicContact SD-CB 3.98Å
34Q95.4Very high88.2Confident82 Ų8255 Ų5538%0.38329%0.292SS..EExtended strand (participates in β ladder)trans-98.9129-178.1-171.3170.2-9.500110.5M36 R62 G63 Q64Q34-M36 HydrophobicContact CG-SD 4.28Å; Q34-R62 PolarHBondContact NE2-O 3.08Å; Q34-G63 WeakPolarHBondContact CA-O 3.5Å; Q34-Q64 HydrophobicContact CB-CG 4.22Å; Q34-Q64 HydrophobicContact CG-CG 4.06Å
35V94.5Very high86.9Confident3 Ų352.1 Ų52.12%0.01828%0.284CS..PPolyproline II helixtrans-76.4126.6167.7178.70000108L20 F49 G63 V65 V97L20-V35 HydrophobicContact CB-CG1 3.83Å; L20-V35 HydrophobicContact CD1-CG1 4.21Å; L20-V35 HydrophobicContact CD2-CG1 3.96Å; L20-V35 HydrophobicContact CG-CG1 4.21Å; V35-F49 HydrophobicContact CB-CE1 4.43Å; V35-F49 HydrophobicContact CG1-CE1 4.21Å; V35-G63 PolarHBondContact N-O 2.9Å; V35-V65 HydrophobicContact CG2-CG2 3.79Å; V35-V97 HydrophobicContact CG1-CG2 3.85Å; V35-V97 HydrophobicContact CG2-CG2 4.39Å
36M92.2Very high86Confident110 Ų11058.8 Ų58.854%0.54232%0.319SS..EExtended strand (participates in β ladder)trans-96.5156.2174.4-61.1-58.1-66.100109.3L20 L21 Q34L20-M36 CarbonylContact C-O 3.53Å; L20-M36 VanDerWaalsContact CA-O 3.3Å; L20-M36 WeakPolarHBondContact CA-O 3.4Å; L21-M36 PolarHBondContact N-O 2.92Å; L21-M36 PolarHBondContact O-N 3.05Å; Q34-M36 HydrophobicContact CG-SD 4.28Å
37S89.5Confident85.6Confident59 Ų5959.4 Ų59.441%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-126138.6175.554.10000110.2R19R19-S37 CarbonylContact O-C 3.58Å; R19-S37 VanDerWaalsContact O-CA 3.27Å; R19-S37 WeakPolarHBondContact O-CA 3.45Å
38E89.6Confident85.3Confident90 Ų9064 Ų6442%0.42134%0.343SS..EExtended strand (participates in β ladder)trans-127.5156.617565.6175-169.300111.1F18 R19 L21F18-E38 WeakPolarHBondContact CA-O 3.49Å; R19-E38 HydrophobicContact CB-CG 3.78Å; R19-E38 PolarHBondContact N-O 3.22Å; R19-E38 PolarHBondContact O-N 2.97Å; L21-E38 HydrophobicContact CD1-CG 4.1Å
39G85.4Confident85.2Confident39 Ų3965.1 Ų65.140%0.40235%0.348SS..  trans70.3-163.4-176.500000114
40G83.5Confident85.2Confident5 Ų567.3 Ų67.35%0.05236%0.364CS..SBendtrans81.1178.2-176.900000115P16P16-G40 PolarHBondContact O-N 3.07Å
41P78.9Confident85.4Confident27 Ų2765.3 Ų65.318%0.17535%0.354CS..SBendtrans-65.6132.7-176.6-17.830.8000113.1F15 S45 F92F15-P41 HydrophobicContact CD2-CB 3.93Å; F15-P41 HydrophobicContact CD2-CG 4.02Å; F15-P41 HydrophobicContact CE1-CB 4.42Å; F15-P41 HydrophobicContact CE2-CB 3.7Å; F15-P41 HydrophobicContact CE2-CG 4.17Å; F15-P41 HydrophobicContact CG-CB 4.38Å; F15-P41 HydrophobicContact CZ-CB 3.95Å; P41-S45 WeakPolarHBondContact CB-OG 3.26Å; P41-S45 WeakPolarHBondContact O-CB 3.1Å; P41-S45 PolarHBondContact O-OG 3.15Å; P41-F92 HydrophobicContact CG-CD1 3.77Å; P41-F92 HydrophobicContact CG-CE1 3.78Å
42Q71.7Confident85.5Confident154 Ų15468.9 Ų68.972%0.7238%0.379SS*.THydrogen-bonded Turntrans-106.4152.1177.1-68.8-160.2-0.100111.1
43P60.6Low85.5Confident129 Ų12969.1 Ų69.184%0.83838%0.382SS*.THydrogen-bonded Turncis-102.5-2.811.334.2-28.8000116.7
44Q60.6Low85.5Confident181 Ų18173.8 Ų73.885%0.84640%0.403SS*.THydrogen-bonded Turntrans-144.767-177.1-71.6-173.6-20.400113.7I46Q44-I46 PolarHBondContact O-N 2.93Å
45S65.8Low85.5Confident42 Ų4273.9 Ų73.929%0.29441%0.409SS..  trans-79.6113.9165.2-68.10000110.2P41 V47P41-S45 WeakPolarHBondContact CB-OG 3.26Å; P41-S45 WeakPolarHBondContact O-CB 3.1Å; P41-S45 PolarHBondContact O-OG 3.15Å; S45-V47 PolarHBondContact O-N 3.29Å
46I77.3Confident85.6Confident144 Ų14474.1 Ų74.174%0.73841%0.411SS*.  trans-75.7113.5172.2-60.8175000108.1Q44Q44-I46 PolarHBondContact O-N 2.93Å
47V87.4Confident85.8Confident22 Ų2268.9 Ų68.913%0.13339%0.385CS..EExtended strand (participates in β ladder)trans-80.4120.5174.8-176.20000109.4F18 S45 F49 I79F18-V47 HydrophobicContact CE2-CG1 4.32Å; F18-V47 HydrophobicContact CE2-CG2 3.78Å; F18-V47 HydrophobicContact CZ-CG1 3.77Å; F18-V47 HydrophobicContact CZ-CG2 4.08Å; S45-V47 PolarHBondContact O-N 3.29Å; V47-F49 HydrophobicContact CB-CE2 4.02Å; V47-F49 HydrophobicContact CB-CZ 4.11Å; V47-F49 HydrophobicContact CG1-CD1 4.28Å; V47-F49 HydrophobicContact CG1-CD2 4.25Å; V47-F49 HydrophobicContact CG1-CE1 3.81Å; V47-F49 HydrophobicContact CG1-CE2 3.77Å; V47-F49 HydrophobicContact CG1-CG 4.5Å; V47-F49 HydrophobicContact CG1-CZ 3.54Å; V47-I79 HydrophobicContact CG2-CG1 4.42Å
48H90.3Very high86.2Confident96 Ų9668.3 Ų68.344%0.44438%0.379SS..EExtended strand (participates in β ladder)trans-94114173.6-173.4-74.6000110.1T78H48-T78 PolarHBondContact N-O 3.05Å; H48-T78 PolarHBondContact O-N 3.46Å; H48-T78 PolarHBondContact O-OG1 2.96Å
49F94.2Very high86.5Confident24 Ų2465.4 Ų65.411%0.10537%0.367CS..EExtended strand (participates in β ladder)trans-91.6134.2177.5-63.5-79.2000111.9L20 V35 V47 V59 V75 H76L20-F49 HydrophobicContact CD2-CE1 3.97Å; V35-F49 HydrophobicContact CB-CE1 4.43Å; V35-F49 HydrophobicContact CG1-CE1 4.21Å; V47-F49 HydrophobicContact CB-CE2 4.02Å; V47-F49 HydrophobicContact CB-CZ 4.11Å; V47-F49 HydrophobicContact CG1-CD1 4.28Å; V47-F49 HydrophobicContact CG1-CD2 4.25Å; V47-F49 HydrophobicContact CG1-CE1 3.81Å; V47-F49 HydrophobicContact CG1-CE2 3.77Å; V47-F49 HydrophobicContact CG1-CG 4.5Å; V47-F49 HydrophobicContact CG1-CZ 3.54Å; F49-V59 HydrophobicContact CB-CG1 4.11Å; F49-V59 HydrophobicContact CB-CG2 3.78Å; F49-V59 HydrophobicContact CG-CG2 4.26Å; F49-V75 HydrophobicContact CD1-CG1 4.14Å; F49-H76 CarbonylContact C-O 3.52Å; F49-H76 WeakPolarHBondContact CA-O 3.11Å
50S94.5Very high87Confident50 Ų5066.6 Ų66.635%0.3536%0.364SS..EExtended strand (participates in β ladder)trans-133.9163.8169.365.70000110.2V75 H76S50-V75 CarbonylContact O-C 3.55Å; S50-V75 WeakPolarHBondContact O-CA 3.4Å; S50-H76 PolarHBondContact N-O 3.01Å; S50-H76 PolarHBondContact O-N 2.84Å
51I96.4Very high87.3Confident21 Ų2177.8 Ų77.811%0.10841%0.405CS..EExtended strand (participates in β ladder)trans-133.2139.2-179.9-164.8163.4000110.6N53 Q54 A57 V59 A73 V74 V75I51-N53 VanDerWaalsContact C-N 3.33Å; I51-N53 PolarHBondContact O-N 2.84Å; I51-Q54 HydrophobicContact CG2-CG 3.71Å; I51-A57 HydrophobicContact CD1-CB 3.67Å; I51-V59 HydrophobicContact CB-CG1 3.91Å; I51-V59 HydrophobicContact CG2-CG1 4.28Å; I51-A73 HydrophobicContact CD1-CB 4.03Å; I51-A73 HydrophobicContact CG1-CB 4.06Å; I51-V74 WeakPolarHBondContact CA-O 3.41Å; I51-V74 WeakPolarHBondContact CG1-O 3.39Å; I51-V75 HydrophobicContact CB-CG2 4.42Å; I51-V75 HydrophobicContact CD1-CG2 3.77Å; I51-V75 HydrophobicContact CG1-CG2 3.95Å
52S96.9Very high87.9Confident75 Ų7585.3 Ų85.352%0.52443%0.43SS..SBendtrans-67.7-30.8-176.765.60000113.5V74S52-V74 PolarHBondContact N-O 3.45Å; S52-V74 PolarHBondContact OG-N 2.89Å; S52-V74 PolarHBondContact OG-O 3.32Å
53N96.2Very high88.9Confident59 Ų5978 Ų7832%0.31640%0.396SS..  trans-140.3102.4-179.1-170.2-13.3000112.3I51 T55 V56 A57 A73I51-N53 VanDerWaalsContact C-N 3.33Å; I51-N53 PolarHBondContact O-N 2.84Å; N53-T55 PolarHBondContact ND2-OG1 3.45Å; N53-T55 PolarHBondContact O-N 2.9Å; N53-T55 WeakPolarHBondContact OD1-CB 3.42Å; N53-T55 PolarHBondContact OD1-N 2.96Å; N53-T55 PolarHBondContact OD1-OG1 3.46Å; N53-V56 HydrophobicContact CB-CB 4.49Å; N53-V56 HydrophobicContact CB-CG2 4.43Å; N53-V56 PolarHBondContact O-N 2.86Å; N53-A57 PolarHBondContact O-N 2.88Å; N53-A73 HydrophobicContact CB-CB 4.3Å
54Q95Very high90.6Very high138 Ų13874.3 Ų74.365%0.64537%0.367SS*.THydrogen-bonded Turntrans-72.3-12.4-179.5-66.6-176.11.300114.6I51 A57I51-Q54 HydrophobicContact CG2-CG 3.71Å; Q54-A57 CarbonylContact C-O 3.56Å; Q54-A57 VanDerWaalsContact CA-O 3.25Å; Q54-A57 WeakPolarHBondContact CA-O 3.37Å
55T95.4Very high92.3Very high84 Ų8465.7 Ų65.752%0.51533%0.327SS..THydrogen-bonded Turntrans-75.7-40.3175.168.50000110.6N53 K68 I69N53-T55 PolarHBondContact ND2-OG1 3.45Å; N53-T55 PolarHBondContact O-N 2.9Å; N53-T55 WeakPolarHBondContact OD1-CB 3.42Å; N53-T55 PolarHBondContact OD1-N 2.96Å; N53-T55 PolarHBondContact OD1-OG1 3.46Å; T55-K68 VanDerWaalsContact O-CB 3.31Å; T55-K68 WeakPolarHBondContact O-CB 3.44Å; T55-I69 WeakPolarHBondContact O-CG1 3.45Å
56V96.4Very high93.7Very high7 Ų766 Ų664%0.04233%0.327CS..THydrogen-bonded Turntrans-75-48-179.3172.70000111.9N53 K68 I69 G71 A73 V101N53-V56 HydrophobicContact CB-CB 4.49Å; N53-V56 HydrophobicContact CB-CG2 4.43Å; N53-V56 PolarHBondContact O-N 2.86Å; V56-K68 WeakPolarHBondContact O-CA 3.22Å; V56-K68 WeakPolarHBondContact O-CB 3.3Å; V56-K68 PolarHBondContact O-N 2.82Å; V56-I69 HydrophobicContact CG2-CG1 4.28Å; V56-I69 PolarHBondContact O-N 2.85Å; V56-G71 WeakPolarHBondContact CG1-O 3.47Å; V56-A73 HydrophobicContact CB-CB 4.17Å; V56-A73 HydrophobicContact CG1-CB 4.01Å; V56-V101 HydrophobicContact CG1-CB 4.24Å; V56-V101 HydrophobicContact CG1-CG2 3.77Å
57A96.8Very high94.6Very high0 Ų059.1 Ų59.10%029%0.292CS..EExtended strand (participates in β ladder)trans-150.7165.8179.500000110.9I51 N53 Q54 V65 T66 I99 V101I51-A57 HydrophobicContact CD1-CB 3.67Å; N53-A57 PolarHBondContact O-N 2.88Å; Q54-A57 CarbonylContact C-O 3.56Å; Q54-A57 VanDerWaalsContact CA-O 3.25Å; Q54-A57 WeakPolarHBondContact CA-O 3.37Å; A57-V65 HydrophobicContact CB-CG1 4.1Å; A57-T66 CarbonylContact C-O 3.56Å; A57-T66 VanDerWaalsContact CA-O 3.25Å; A57-T66 WeakPolarHBondContact CA-O 3.19Å; A57-T66 WeakPolarHBondContact CB-O 3.47Å; A57-I99 HydrophobicContact CB-CG2 4.39Å; A57-V101 HydrophobicContact CB-CG2 4.42Å
58V96.8Very high94.9Very high47 Ų4762.3 Ų62.329%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-129.7140174.8-75.10000110.3V65 T66 K68V58-V65 CarbonylContact O-C 3.55Å; V58-V65 VanDerWaalsContact O-CA 3.29Å; V58-V65 WeakPolarHBondContact O-CA 3.27Å; V58-T66 PolarHBondContact N-O 2.77Å; V58-T66 PolarHBondContact O-N 2.79Å; V58-K68 HydrophobicContact CG1-CD 4.23Å; V58-K68 VanDerWaalsContact CG1-CE 3.46Å; V58-K68 VanDerWaalsContact CG1-NZ 3.32Å
59V96.8Very high95.1Very high30 Ų3062.1 Ų62.118%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-116.4136.7176.267.60000110.2F49 I51 Q64 V65 V75F49-V59 HydrophobicContact CB-CG1 4.11Å; F49-V59 HydrophobicContact CB-CG2 3.78Å; F49-V59 HydrophobicContact CG-CG2 4.26Å; I51-V59 HydrophobicContact CB-CG1 3.91Å; I51-V59 HydrophobicContact CG2-CG1 4.28Å; V59-Q64 WeakPolarHBondContact CA-O 3.48Å; V59-V65 HydrophobicContact CB-CG2 4.15Å; V59-V65 HydrophobicContact CG2-CG2 3.81Å; V59-V75 HydrophobicContact CB-CG2 4.48Å; V59-V75 HydrophobicContact CG2-CG1 4.21Å
60N94.8Very high95.2Very high64 Ų6464.8 Ų64.834%0.34232%0.323SS..  trans-97.7175.6174.675.613.6000112.3R62 G63 Q64N60-R62 PolarHBondContact O-N 3.27Å; N60-R62 WeakPolarHBondContact OD1-CA 3.39Å; N60-R62 WeakPolarHBondContact OD1-CB 3.34Å; N60-R62 PolarHBondContact OD1-N 3.34Å; N60-G63 PolarHBondContact O-N 3.32Å; N60-G63 PolarHBondContact OD1-N 3.23Å; N60-Q64 PolarHBondContact N-O 2.88Å; N60-Q64 PolarHBondContact ND2-OE1 2.81Å; N60-Q64 WeakPolarHBondContact OD1-CB 3.44Å; N60-Q64 PolarHBondContact OD1-N 2.81Å
61R90.6Very high95.3Very high240 Ų24063.6 Ų63.691%0.90632%0.319SS*.THydrogen-bonded Turntrans-61.5-15.1179.9-62.4-176.5-175168.11.3114.4
62R91.8Very high95.3Very high185 Ų18567.5 Ų67.570%0.69834%0.344SS*.THydrogen-bonded Turntrans-93.91.7176.9-59.9-175.6-178-170.70.8112.8Q34 N60 Q64Q34-R62 PolarHBondContact NE2-O 3.08Å; N60-R62 PolarHBondContact O-N 3.27Å; N60-R62 WeakPolarHBondContact OD1-CA 3.39Å; N60-R62 WeakPolarHBondContact OD1-CB 3.34Å; N60-R62 PolarHBondContact OD1-N 3.34Å; R62-Q64 VanDerWaalsContact C-N 3.33Å; R62-Q64 HydrophobicContact CB-CG 4.37Å
63G92.1Very high95.3Very high0 Ų064.1 Ų64.10%032%0.32CS..  trans78.714.3-175.700000113.8Q34 V35 N60 V65Q34-G63 WeakPolarHBondContact CA-O 3.5Å; V35-G63 PolarHBondContact N-O 2.9Å; N60-G63 PolarHBondContact O-N 3.32Å; N60-G63 PolarHBondContact OD1-N 3.23Å; G63-V65 PolarHBondContact O-N 2.82Å
64Q95.8Very high95.4Very high52 Ų5263.1 Ų63.124%0.24332%0.316CS..EExtended strand (participates in β ladder)trans-80.2119.4175.3-61.4174.3-29.500109.5M32 Q34 V59 N60 R62M32-Q64 HydrophobicContact CG-CB 4.07Å; M32-Q64 HydrophobicContact SD-CB 3.76Å; M32-Q64 HydrophobicContact SD-CG 3.92Å; Q34-Q64 HydrophobicContact CB-CG 4.22Å; Q34-Q64 HydrophobicContact CG-CG 4.06Å; V59-Q64 WeakPolarHBondContact CA-O 3.48Å; N60-Q64 PolarHBondContact N-O 2.88Å; N60-Q64 PolarHBondContact ND2-OE1 2.81Å; N60-Q64 WeakPolarHBondContact OD1-CB 3.44Å; N60-Q64 PolarHBondContact OD1-N 2.81Å; R62-Q64 VanDerWaalsContact C-N 3.33Å; R62-Q64 HydrophobicContact CB-CG 4.37Å
65V96.8Very high95.5Very high0 Ų056.6 Ų56.60%029%0.286CS..EExtended strand (participates in β ladder)trans-104.9120.1-177.9-176.20000108.8M25 L27 M32 M33 V35 A57 V58 V59 G63 V75 I99M25-V65 HydrophobicContact CE-CB 4.07Å; M25-V65 HydrophobicContact CE-CG1 4.33Å; L27-V65 HydrophobicContact CD1-CG1 4.17Å; M32-V65 VanDerWaalsContact CA-O 3.28Å; M32-V65 WeakPolarHBondContact CA-O 3.09Å; M33-V65 PolarHBondContact N-O 2.73Å; M33-V65 PolarHBondContact O-N 2.86Å; V35-V65 HydrophobicContact CG2-CG2 3.79Å; A57-V65 HydrophobicContact CB-CG1 4.1Å; V58-V65 CarbonylContact O-C 3.55Å; V58-V65 VanDerWaalsContact O-CA 3.29Å; V58-V65 WeakPolarHBondContact O-CA 3.27Å; V59-V65 HydrophobicContact CB-CG2 4.15Å; V59-V65 HydrophobicContact CG2-CG2 3.81Å; G63-V65 PolarHBondContact O-N 2.82Å; V65-V75 HydrophobicContact CG1-CG2 4.37Å; V65-V75 HydrophobicContact CG2-CG2 3.84Å; V65-I99 HydrophobicContact CG1-CD1 4.23Å; V65-I99 HydrophobicContact CG1-CG1 4.3Å; V65-I99 HydrophobicContact CG1-CG2 4.38Å
66T96.4Very high95.4Very high47 Ų4755.7 Ų55.729%0.28828%0.275SS..EExtended strand (participates in β ladder)trans-108.8126175.6-55.20000110.3N31 A57 V58N31-T66 WeakPolarHBondContact O-CA 3.39Å; A57-T66 CarbonylContact C-O 3.56Å; A57-T66 VanDerWaalsContact CA-O 3.25Å; A57-T66 WeakPolarHBondContact CA-O 3.19Å; A57-T66 WeakPolarHBondContact CB-O 3.47Å; V58-T66 PolarHBondContact N-O 2.77Å; V58-T66 PolarHBondContact O-N 2.79Å
67G95.8Very high95.3Very high0 Ų055.3 Ų55.30%027%0.273CS..EExtended strand (participates in β ladder)trans-74.7140.5176.200000112.1M30 N31M30-G67 PolarHBondContact N-O 2.91Å; N31-G67 PolarHBondContact O-N 2.9Å
68K94.2Very high95Very high90 Ų9056 Ų5639%0.39128%0.278SS..  trans-117.1-65.8-179.6-73.5-175.7172.9178.10112.7T55 V56 V58T55-K68 VanDerWaalsContact O-CB 3.31Å; T55-K68 WeakPolarHBondContact O-CB 3.44Å; V56-K68 WeakPolarHBondContact O-CA 3.22Å; V56-K68 WeakPolarHBondContact O-CB 3.3Å; V56-K68 PolarHBondContact O-N 2.82Å; V58-K68 HydrophobicContact CG1-CD 4.23Å; V58-K68 VanDerWaalsContact CG1-CE 3.46Å; V58-K68 VanDerWaalsContact CG1-NZ 3.32Å
69I94.4Very high94.6Very high91 Ų9154.1 Ų54.147%0.46727%0.266SS..SBendtrans-124.6154.9-178.771.1179.2000109.6T55 V56 G71 V101T55-I69 WeakPolarHBondContact O-CG1 3.45Å; V56-I69 HydrophobicContact CG2-CG1 4.28Å; V56-I69 PolarHBondContact O-N 2.85Å; I69-G71 PolarHBondContact O-N 3.47Å; I69-V101 VanDerWaalsContact O-CB 3.29Å; I69-V101 WeakPolarHBondContact O-CB 3.25Å; I69-V101 VanDerWaalsContact O-CG1 3.3Å; I69-V101 WeakPolarHBondContact O-CG1 3.35Å
70V95.3Very high93.8Very high81 Ų8156.8 Ų56.849%0.49128%0.276SS..SBendtrans-58.3129.3177.8176.60000110.1V101 Q103V70-V101 VanDerWaalsContact CA-O 3.28Å; V70-V101 WeakPolarHBondContact CA-O 3.25Å; V70-V101 WeakPolarHBondContact CG1-O 3.44Å; V70-Q103 HydrophobicContact CG2-CG 3.85Å
71G96.2Very high92.8Very high24 Ų2456.9 Ų56.925%0.24728%0.279CS..EExtended strand (participates in β ladder)trans156.8-178-178.100000112.9V56 I69 V101V56-G71 WeakPolarHBondContact CG1-O 3.47Å; I69-G71 PolarHBondContact O-N 3.47Å; G71-V101 PolarHBondContact N-O 3.29Å; G71-V101 PolarHBondContact O-N 2.69Å
72T97.3Very high92Very high104 Ų10449.4 Ų49.464%0.63826%0.26SS*.EExtended strand (participates in β ladder)trans-112.4141.2179.154.50000111.2I99 E100T72-I99 CarbonylContact C-O 3.58Å; T72-I99 VanDerWaalsContact CA-O 3.27Å; T72-I99 WeakPolarHBondContact CA-O 3.33Å; T72-E100 HydrophobicContact CG2-CG 4.32Å
73A97Very high90.9Very high4 Ų442.9 Ų42.93%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-140.6165.5173.400000110I51 N53 V56 I99I51-A73 HydrophobicContact CD1-CB 4.03Å; I51-A73 HydrophobicContact CG1-CB 4.06Å; N53-A73 HydrophobicContact CB-CB 4.3Å; V56-A73 HydrophobicContact CB-CB 4.17Å; V56-A73 HydrophobicContact CG1-CB 4.01Å; A73-I99 HydrophobicContact CB-CB 4.38Å; A73-I99 PolarHBondContact N-O 2.85Å; A73-I99 WeakPolarHBondContact O-CA 3.29Å; A73-I99 WeakPolarHBondContact O-CB 3.41Å; A73-I99 PolarHBondContact O-N 2.86Å
74V97.4Very high89.8Confident38 Ų3852.1 Ų52.123%0.2328%0.282CS..EExtended strand (participates in β ladder)trans-125.4128.2175.8-177.70000108I51 S52 E96 V97I51-V74 WeakPolarHBondContact CA-O 3.41Å; I51-V74 WeakPolarHBondContact CG1-O 3.39Å; S52-V74 PolarHBondContact N-O 3.45Å; S52-V74 PolarHBondContact OG-N 2.89Å; S52-V74 PolarHBondContact OG-O 3.32Å; V74-E96 HydrophobicContact CG1-CB 3.79Å; V74-E96 HydrophobicContact CG1-CG 4.32Å; V74-V97 WeakPolarHBondContact CA-O 3.42Å
75V96.9Very high88.7Confident0 Ų056.9 Ų56.90%031%0.309CS..EExtended strand (participates in β ladder)trans-94.9125.7173.4172.20000107.8F49 S50 I51 V59 V65 E96 V97 I99F49-V75 HydrophobicContact CD1-CG1 4.14Å; S50-V75 CarbonylContact O-C 3.55Å; S50-V75 WeakPolarHBondContact O-CA 3.4Å; I51-V75 HydrophobicContact CB-CG2 4.42Å; I51-V75 HydrophobicContact CD1-CG2 3.77Å; I51-V75 HydrophobicContact CG1-CG2 3.95Å; V59-V75 HydrophobicContact CB-CG2 4.48Å; V59-V75 HydrophobicContact CG2-CG1 4.21Å; V65-V75 HydrophobicContact CG1-CG2 4.37Å; V65-V75 HydrophobicContact CG2-CG2 3.84Å; V75-E96 CarbonylContact O-C 3.42Å; V75-E96 VanDerWaalsContact O-CA 3.22Å; V75-E96 WeakPolarHBondContact O-CA 3.43Å; V75-V97 HydrophobicContact CB-CB 4.46Å; V75-V97 PolarHBondContact N-O 3.01Å; V75-V97 PolarHBondContact O-N 3.24Å; V75-I99 HydrophobicContact CG2-CD1 4.14Å; V75-I99 HydrophobicContact CG2-CG1 3.73Å
76H95.1Very high87.7Confident65 Ų6561 Ų6130%0.30134%0.335SS..EExtended strand (participates in β ladder)trans-105129.2175-57.2-76.2000109.2F49 S50 E96F49-H76 CarbonylContact C-O 3.52Å; F49-H76 WeakPolarHBondContact CA-O 3.11Å; S50-H76 PolarHBondContact N-O 3.01Å; S50-H76 PolarHBondContact O-N 2.84Å; H76-E96 IonicContact CE1-OE2 2.66Å; H76-E96 PolarHBondContact CE1-OE2 2.89Å; H76-E96 VanDerWaalsContact CE1-OE2 3.26Å; H76-E96 IonicContact ND1-OE2 3.9Å
77G93.5Very high86.6Confident0 Ų061.5 Ų61.50%035%0.349CS..EExtended strand (participates in β ladder)trans-106.3128168.300000109F18 Q94 D95F18-G77 WeakPolarHBondContact CE1-O 3.38Å; G77-Q94 VanDerWaalsContact O-CA 3.3Å; G77-Q94 WeakPolarHBondContact O-CA 3.32Å; G77-D95 PolarHBondContact N-O 2.8Å; G77-D95 PolarHBondContact O-N 2.87Å; G77-D95 VanDerWaalsContact O-N 3.07Å
78T91.1Very high85.7Confident15 Ų1568.8 Ų68.89%0.09238%0.381CS..EExtended strand (participates in β ladder)trans-125.4134.5178.657.60000110.4H48 Q80 V91 Q94H48-T78 PolarHBondContact N-O 3.05Å; H48-T78 PolarHBondContact O-N 3.46Å; H48-T78 PolarHBondContact O-OG1 2.96Å; T78-Q80 PolarHBondContact OG1-NE2 2.98Å; T78-Q80 VanDerWaalsContact OG1-NE2 3.15Å; T78-V91 HydrophobicContact CG2-CG1 4.21Å; T78-Q94 HydrophobicContact CG2-CB 3.99Å
79I86.6Confident84.9Confident7 Ų768.9 Ų68.94%0.03639%0.389CS..EExtended strand (participates in β ladder)trans-91.8113.8168.2-61.1-179.2000107.1F18 V47 F92 S93F18-I79 HydrophobicContact CB-CD1 4.18Å; F18-I79 HydrophobicContact CD1-CD1 4.47Å; F18-I79 HydrophobicContact CD2-CD1 3.49Å; F18-I79 VanDerWaalsContact CD2-CD1 3.49Å; F18-I79 HydrophobicContact CD2-CG1 4.08Å; F18-I79 HydrophobicContact CE2-CD1 3.89Å; F18-I79 HydrophobicContact CE2-CG1 4.02Å; F18-I79 HydrophobicContact CG-CD1 3.79Å; F18-I79 HydrophobicContact CG-CG1 4.3Å; F18-I79 HydrophobicContact CZ-CG1 4.25Å; V47-I79 HydrophobicContact CG2-CG1 4.42Å; I79-F92 HydrophobicContact CG2-CB 4.46Å; I79-F92 PolarHBondContact O-N 2.76Å; I79-S93 PolarHBondContact N-O 2.75Å
80Q81.4Confident84.2Confident85 Ų8567.9 Ų67.940%0.39738%0.384SS..EExtended strand (participates in β ladder)trans-106.7135.6-178.1-64.6-179.91000109.6T78 V89 I90 V91T78-Q80 PolarHBondContact OG1-NE2 2.98Å; T78-Q80 VanDerWaalsContact OG1-NE2 3.15Å; Q80-V89 HydrophobicContact CB-CG1 3.81Å; Q80-V89 HydrophobicContact CG-CG1 4.15Å; Q80-I90 WeakPolarHBondContact CA-O 3.46Å; Q80-V91 HydrophobicContact CG-CG2 4.4Å
81T72.4Confident83.5Confident66 Ų6667.8 Ų67.841%0.40538%0.383SS..EExtended strand (participates in β ladder)trans-130.1156.1169.7-174.10000109.8V89 I90T81-V89 CarbonylContact O-C 3.34Å; T81-V89 WeakPolarHBondContact O-CA 3.27Å; T81-I90 HydrophobicContact CG2-CD1 3.8Å; T81-I90 HydrophobicContact CG2-CG1 3.49Å; T81-I90 VanDerWaalsContact CG2-CG1 3.49Å; T81-I90 PolarHBondContact N-O 2.9Å; T81-I90 WeakPolarHBondContact O-CG1 3.11Å; T81-I90 PolarHBondContact O-N 3.38Å
82V74.1Confident82.6Confident83 Ų8372.6 Ų72.650%0.50340%0.398SS..EExtended strand (participates in β ladder)trans-93.8121.7174.9-176.50000107.4E84 V89V82-E84 PolarHBondContact O-N 3.05Å; V82-V89 HydrophobicContact CG2-CG2 4.39Å
83N69.6Low82.1Confident48 Ų4869.4 Ų69.426%0.25738%0.38SS..  trans-65118.2175.8177.9-59.8000109.4D85 T86 G87 K88 I90N83-D85 PolarHBondContact O-N 2.91Å; N83-D85 WeakPolarHBondContact OD1-CB 3.34Å; N83-D85 PolarHBondContact OD1-N 3.05Å; N83-T86 WeakPolarHBondContact CB-OG1 3.44Å; N83-T86 PolarHBondContact O-N 2.82Å; N83-T86 PolarHBondContact OD1-N 3.5Å; N83-T86 PolarHBondContact OD1-OG1 3.49Å; N83-G87 WeakPolarHBondContact O-CA 3.28Å; N83-G87 PolarHBondContact O-N 2.84Å; N83-K88 WeakPolarHBondContact CB-O 3.23Å; N83-K88 PolarHBondContact N-O 3.3Å; N83-I90 HydrophobicContact CB-CD1 4.23Å; N83-I90 HydrophobicContact CB-CG1 4.44Å; N83-I90 HydrophobicContact CB-CG2 4.22Å
84E69.5Low81.8Confident194 Ų19476 Ų7691%0.90741%0.409SS*.THydrogen-bonded Turntrans-60.1-29.7-174.9-64.6-174161.400113.3V82V82-E84 PolarHBondContact O-N 3.05Å
85D72.1Confident81.7Confident152 Ų15276.5 Ų76.581%0.81341%0.411SS*.THydrogen-bonded Turntrans-85.5-25.9-176.9-61.4-44.4000113.2N83N83-D85 PolarHBondContact O-N 2.91Å; N83-D85 WeakPolarHBondContact OD1-CB 3.34Å; N83-D85 PolarHBondContact OD1-N 3.05Å
86T75.9Confident81.7Confident87 Ų8781.1 Ų81.153%0.53443%0.433SS..THydrogen-bonded Turntrans-121.3-10.8-170.858.40000114.6N83 K88N83-T86 WeakPolarHBondContact CB-OG1 3.44Å; N83-T86 PolarHBondContact O-N 2.82Å; N83-T86 PolarHBondContact OD1-N 3.5Å; N83-T86 PolarHBondContact OD1-OG1 3.49Å; T86-K88 PolarHBondContact O-N 2.82Å; T86-K88 VanDerWaalsContact O-N 3.13Å
87G72.8Confident81.8Confident58 Ų5878 Ų7860%0.59842%0.419SS*.  trans65.57.4-175.700000114.6N83N83-G87 WeakPolarHBondContact O-CA 3.28Å; N83-G87 PolarHBondContact O-N 2.84Å
88K77.7Confident82Confident153 Ų15383.1 Ų83.167%0.66544%0.442SS*.  trans-90141.4-179.5-69.7-173.1179.2-178.70111.4N83 T86 I90N83-K88 WeakPolarHBondContact CB-O 3.23Å; N83-K88 PolarHBondContact N-O 3.3Å; T86-K88 PolarHBondContact O-N 2.82Å; T86-K88 VanDerWaalsContact O-N 3.13Å; K88-I90 PolarHBondContact O-N 2.84Å
89V76.1Confident82.2Confident92 Ų9282.5 Ų82.556%0.55844%0.438SS*.EExtended strand (participates in β ladder)trans-70.4124.6171.2-176.70000109Q80 T81 V82Q80-V89 HydrophobicContact CB-CG1 3.81Å; Q80-V89 HydrophobicContact CG-CG1 4.15Å; T81-V89 CarbonylContact O-C 3.34Å; T81-V89 WeakPolarHBondContact O-CA 3.27Å; V82-V89 HydrophobicContact CG2-CG2 4.39Å
90I79.6Confident82.7Confident69 Ų6985 Ų8535%0.35445%0.45SS..EExtended strand (participates in β ladder)trans-116.5140.3174.659.6170.3000109.6Q80 T81 N83 K88Q80-I90 WeakPolarHBondContact CA-O 3.46Å; T81-I90 HydrophobicContact CG2-CD1 3.8Å; T81-I90 HydrophobicContact CG2-CG1 3.49Å; T81-I90 VanDerWaalsContact CG2-CG1 3.49Å; T81-I90 PolarHBondContact N-O 2.9Å; T81-I90 WeakPolarHBondContact O-CG1 3.11Å; T81-I90 PolarHBondContact O-N 3.38Å; N83-I90 HydrophobicContact CB-CD1 4.23Å; N83-I90 HydrophobicContact CB-CG1 4.44Å; N83-I90 HydrophobicContact CB-CG2 4.22Å; K88-I90 PolarHBondContact O-N 2.84Å
91V80.9Confident83.5Confident80 Ų8081 Ų8149%0.48543%0.431SS..EExtended strand (participates in β ladder)trans-85.9114.8173.3-179.60000107.7T78 Q80 Q94T78-V91 HydrophobicContact CG2-CG1 4.21Å; Q80-V91 HydrophobicContact CG-CG2 4.4Å; V91-Q94 HydrophobicContact CG1-CB 4.26Å
92F78.4Confident84.6Confident125 Ų12578.9 Ų78.955%0.54842%0.418SS..EExtended strand (participates in β ladder)trans-85-35.3-178.5-166.4-94000111.9P41 I79P41-F92 HydrophobicContact CG-CD1 3.77Å; P41-F92 HydrophobicContact CG-CE1 3.78Å; I79-F92 HydrophobicContact CG2-CB 4.46Å; I79-F92 PolarHBondContact O-N 2.76Å
93S86.3Confident85.6Confident37 Ų3777.9 Ų77.926%0.25941%0.408SS..EExtended strand (participates in β ladder)trans-155.1151.2177-153.40000110.5F18 I79F18-S93 WeakPolarHBondContact CB-OG 3.31Å; I79-S93 PolarHBondContact N-O 2.75Å
94Q91.1Very high86.7Confident141 Ų14175.6 Ų75.666%0.65940%0.396SS*.EExtended strand (participates in β ladder)trans-145.8149.1179.568.3-178.66.700110.2G77 T78 V91G77-Q94 VanDerWaalsContact O-CA 3.3Å; G77-Q94 WeakPolarHBondContact O-CA 3.32Å; T78-Q94 HydrophobicContact CG2-CB 3.99Å; V91-Q94 HydrophobicContact CG1-CB 4.26Å
95D94.4Very high87.9Confident50 Ų5074 Ų7427%0.26738%0.382SS..EExtended strand (participates in β ladder)trans-151.5166.5170.8-168.525.8000109.9F18 R19 L20 G77F18-D95 HydrophobicContact CD1-CB 3.93Å; F18-D95 HydrophobicContact CE1-CB 4.01Å; R19-D95 WeakPolarHBondContact CA-OD2 3.47Å; L20-D95 HydrophobicContact CD1-CB 4.48Å; L20-D95 WeakPolarHBondContact CD1-O 3.48Å; L20-D95 HydrophobicContact CG-CB 4.09Å; L20-D95 PolarHBondContact N-OD2 3.2Å; G77-D95 PolarHBondContact N-O 2.8Å; G77-D95 PolarHBondContact O-N 2.87Å; G77-D95 VanDerWaalsContact O-N 3.07Å
96E96.3Very high89Confident97 Ų9768.7 Ų68.745%0.45336%0.358SS..EExtended strand (participates in β ladder)trans-136.4152.7-172.466.6179.3-160.600114.4V74 V75 H76V74-E96 HydrophobicContact CG1-CB 3.79Å; V74-E96 HydrophobicContact CG1-CG 4.32Å; V75-E96 CarbonylContact O-C 3.42Å; V75-E96 VanDerWaalsContact O-CA 3.22Å; V75-E96 WeakPolarHBondContact O-CA 3.43Å; H76-E96 IonicContact CE1-OE2 2.66Å; H76-E96 PolarHBondContact CE1-OE2 2.89Å; H76-E96 VanDerWaalsContact CE1-OE2 3.26Å; H76-E96 IonicContact ND1-OE2 3.9Å
97V97.1Very high90Very high0 Ų064.9 Ų64.90%034%0.335CS..EExtended strand (participates in β ladder)trans-126.3129.1176.8176.90000110L20 P22 M25 V35 V74 V75 I99L20-V97 HydrophobicContact CB-CG2 3.45Å; L20-V97 VanDerWaalsContact CB-CG2 3.45Å; L20-V97 HydrophobicContact CD1-CG2 4.02Å; L20-V97 HydrophobicContact CG-CG2 4.4Å; P22-V97 WeakPolarHBondContact O-CG1 3.48Å; P22-V97 VanDerWaalsContact O-CG2 3.26Å; P22-V97 WeakPolarHBondContact O-CG2 3.46Å; M25-V97 HydrophobicContact CB-CG1 4.35Å; V35-V97 HydrophobicContact CG1-CG2 3.85Å; V35-V97 HydrophobicContact CG2-CG2 4.39Å; V74-V97 WeakPolarHBondContact CA-O 3.42Å; V75-V97 HydrophobicContact CB-CB 4.46Å; V75-V97 PolarHBondContact N-O 3.01Å; V75-V97 PolarHBondContact O-N 3.24Å; V97-I99 HydrophobicContact CG1-CD1 3.77Å
98Q97.4Very high91Very high106 Ų10666.4 Ų66.450%0.49532%0.323SS..EExtended strand (participates in β ladder)trans-80.4125.3175.4-64.4-175.90.900110.8E23 K24 M25E23-Q98 PolarHBondContact O-N 2.8Å; K24-Q98 CarbonylContact C-O 3.5Å; K24-Q98 WeakPolarHBondContact CA-O 3.3Å; K24-Q98 HydrophobicContact CB-CB 4.48Å; K24-Q98 HydrophobicContact CG-CB 4.23Å; M25-Q98 PolarHBondContact N-O 2.88Å
99I97.1Very high91.9Very high3 Ų359.7 Ų59.72%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-110.9130.6178.9-49.7-59.5000109.7M25 L27 A57 V65 T72 A73 V75 V97 V101M25-I99 HydrophobicContact CB-CD1 3.63Å; M25-I99 HydrophobicContact CE-CD1 4.25Å; M25-I99 HydrophobicContact CG-CD1 4.48Å; M25-I99 CarbonylContact O-C 3.5Å; M25-I99 WeakPolarHBondContact O-CA 3.28Å; M25-I99 HydrophobicContact SD-CD1 4.13Å; L27-I99 HydrophobicContact CD1-CG2 4.38Å; A57-I99 HydrophobicContact CB-CG2 4.39Å; V65-I99 HydrophobicContact CG1-CD1 4.23Å; V65-I99 HydrophobicContact CG1-CG1 4.3Å; V65-I99 HydrophobicContact CG1-CG2 4.38Å; T72-I99 CarbonylContact C-O 3.58Å; T72-I99 VanDerWaalsContact CA-O 3.27Å; T72-I99 WeakPolarHBondContact CA-O 3.33Å; A73-I99 HydrophobicContact CB-CB 4.38Å; A73-I99 PolarHBondContact N-O 2.85Å; A73-I99 WeakPolarHBondContact O-CA 3.29Å; A73-I99 WeakPolarHBondContact O-CB 3.41Å; A73-I99 PolarHBondContact O-N 2.86Å; V75-I99 HydrophobicContact CG2-CD1 4.14Å; V75-I99 HydrophobicContact CG2-CG1 3.73Å; V97-I99 HydrophobicContact CG1-CD1 3.77Å; I99-V101 HydrophobicContact CG2-CG2 4.25Å
100E97.1Very high92.9Very high58 Ų5858.2 Ų58.227%0.27128%0.283SS..EExtended strand (participates in β ladder)trans-124.2113.2175-165.3-177.5169.300109.1K24 M25 T26 L27 T72 V102K24-E100 WeakPolarHBondContact CE-OE2 3.34Å; K24-E100 IonicContact NZ-OE2 3.15Å; K24-E100 PolarHBondContact NZ-OE2 3.45Å; M25-E100 PolarHBondContact O-N 2.83Å; T26-E100 CarbonylContact C-O 3.43Å; T26-E100 VanDerWaalsContact CA-O 3.28Å; T26-E100 WeakPolarHBondContact CA-O 3.44Å; L27-E100 PolarHBondContact N-O 3.42Å; T72-E100 HydrophobicContact CG2-CG 4.32Å; E100-V102 HydrophobicContact CG-CG1 3.8Å
101V96.8Very high93.6Very high1 Ų156 Ų561%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-96.9121.4175.7-175.40000108.6L27 P29 V56 A57 I69 V70 G71 I99L27-V101 HydrophobicContact CB-CG2 4.44Å; L27-V101 CarbonylContact O-C 3.49Å; L27-V101 VanDerWaalsContact O-CA 3.25Å; L27-V101 WeakPolarHBondContact O-CA 3.42Å; P29-V101 HydrophobicContact CG-CG1 3.99Å; V56-V101 HydrophobicContact CG1-CB 4.24Å; V56-V101 HydrophobicContact CG1-CG2 3.77Å; A57-V101 HydrophobicContact CB-CG2 4.42Å; I69-V101 VanDerWaalsContact O-CB 3.29Å; I69-V101 WeakPolarHBondContact O-CB 3.25Å; I69-V101 VanDerWaalsContact O-CG1 3.3Å; I69-V101 WeakPolarHBondContact O-CG1 3.35Å; V70-V101 VanDerWaalsContact CA-O 3.28Å; V70-V101 WeakPolarHBondContact CA-O 3.25Å; V70-V101 WeakPolarHBondContact CG1-O 3.44Å; G71-V101 PolarHBondContact N-O 3.29Å; G71-V101 PolarHBondContact O-N 2.69Å; I99-V101 HydrophobicContact CG2-CG2 4.25Å
102V95.6Very high94.2Very high22 Ų2256.6 Ų56.613%0.13329%0.288CS..  trans-133.5156.5-173.2-58.10000111.8T26 L27 I28 P29 E100 Q133T26-V102 HydrophobicContact CG2-CG1 4.42Å; T26-V102 HydrophobicContact CG2-CG2 3.59Å; L27-V102 PolarHBondContact O-N 2.8Å; I28-V102 WeakPolarHBondContact CA-O 2.95Å; P29-V102 WeakPolarHBondContact CD-O 3.06Å; E100-V102 HydrophobicContact CG-CG1 3.8Å; V102-Q133 HydrophobicContact CG2-CG 4.09Å
103Q94.6Very high95Very high62 Ų6252.4 Ų52.429%0.2928%0.277SS..  trans-87.9144168.8-85.4172.9-10.300111V70 R105 G202 E205V70-Q103 HydrophobicContact CG2-CG 3.85Å; Q103-R105 PolarHBondContact O-N 3.02Å; Q103-G202 WeakPolarHBondContact CG-O 3.28Å; Q103-G202 PolarHBondContact NE2-O 3.38Å; Q103-E205 HydrophobicContact CB-CB 4.13Å
104L94.4Very high95.4Very high1 Ų153.8 Ų53.81%0.00528%0.284CS..BIsolated β-bridgetrans-75.2117.4170.2-65.5171.3000109.1I28 Q133 F138 L145 Q203 F204 E205 L211I28-L104 HydrophobicContact CD1-CD1 4.43Å; I28-L104 HydrophobicContact CG2-CD1 4.14Å; I28-L104 HydrophobicContact CG2-CD2 4.1Å; I28-L104 HydrophobicContact CG2-CG 3.74Å; L104-Q133 HydrophobicContact CD2-CB 4.4Å; L104-Q133 HydrophobicContact CD2-CG 4.41Å; L104-F138 HydrophobicContact CD1-CB 4.16Å; L104-F138 HydrophobicContact CD1-CD1 4.27Å; L104-F138 HydrophobicContact CD1-CG 4.22Å; L104-F138 HydrophobicContact CD2-CD1 4.3Å; L104-L145 HydrophobicContact CD1-CD1 4.09Å; L104-Q203 PolarHBondContact N-O 3.05Å; L104-F204 HydrophobicContact CB-CD1 3.98Å; L104-F204 HydrophobicContact CB-CE1 4.39Å; L104-F204 HydrophobicContact CD1-CD1 4.34Å; L104-F204 HydrophobicContact CD1-CE1 4.02Å; L104-F204 WeakPolarHBondContact O-CA 3.04Å; L104-E205 PolarHBondContact O-N 3.39Å; L104-L211 HydrophobicContact CB-CD1 3.9Å
105R94.2Very high95.5Very high161 Ų16152.7 Ų52.761%0.60827%0.274SS*.  trans-80.9-40.9173.8177.6174.3-69.6-175.5-4.6112.1Q103 V129 E205Q103-R105 PolarHBondContact O-N 3.02Å; R105-V129 HydrophobicContact CB-CG2 4.03Å; R105-E205 VanDerWaalsContact CB-OE2 3.24Å; R105-E205 WeakPolarHBondContact CB-OE2 3.37Å; R105-E205 VanDerWaalsContact CG-OE2 3.26Å; R105-E205 WeakPolarHBondContact CG-OE2 3.44Å; R105-E205 IonicContact CZ-OE1 3.84Å; R105-E205 IonicContact CZ-OE2 2.87Å; R105-E205 IonicContact NE-OE1 3.72Å; R105-E205 IonicContact NE-OE2 3.44Å; R105-E205 PolarHBondContact NE-OE2 2.6Å; R105-E205 IonicContact NH2-OE1 3.71Å; R105-E205 PolarHBondContact NH2-OE1 3.49Å; R105-E205 IonicContact NH2-OE2 2.82Å; R105-E205 PolarHBondContact NH2-OE2 2.82Å
106A94.8Very high95.6Very high39 Ų3951.1 Ų51.132%0.32227%0.265SS..  trans-154.5163.6176.200000109.3V129A106-V129 HydrophobicContact CB-CG2 3.78Å; A106-V129 WeakPolarHBondContact O-CG2 3.33Å
107V96.1Very high95.5Very high8 Ų848.9 Ų48.95%0.04826%0.255CS..EExtended strand (participates in β ladder)trans-109157.1171.3-63.40000109.1V126 M127 V194 L211 D213V107-V126 HydrophobicContact CB-CG1 3.8Å; V107-V126 HydrophobicContact CG1-CG1 4.03Å; V107-M127 CarbonylContact C-O 3.54Å; V107-M127 WeakPolarHBondContact CA-O 3.49Å; V107-V194 HydrophobicContact CB-CG2 4.42Å; V107-V194 HydrophobicContact CG1-CB 4.32Å; V107-V194 HydrophobicContact CG1-CG2 4Å; V107-V194 HydrophobicContact CG2-CG2 4.15Å; V107-L211 HydrophobicContact CB-CB 4.48Å; V107-L211 HydrophobicContact CG1-CB 3.96Å; V107-L211 HydrophobicContact CG1-CD1 4.06Å; V107-L211 HydrophobicContact CG2-CB 3.91Å; V107-D213 HydrophobicContact CG2-CB 4.34Å; V107-D213 WeakPolarHBondContact O-CB 3.47Å
108R95.7Very high95.4Very high90 Ų9050.2 Ų50.234%0.3426%0.264SS..EExtended strand (participates in β ladder)trans-138.5143.7171.868.4-173.6-177.21617.3110.9L110 V126 M127 G128 D213R108-L110 PolarHBondContact O-N 3.32Å; R108-V126 CarbonylContact O-C 3.49Å; R108-V126 WeakPolarHBondContact O-CA 3.29Å; R108-M127 HydrophobicContact CG-CB 3.81Å; R108-M127 PolarHBondContact N-O 3.04Å; R108-M127 PolarHBondContact O-N 2.86Å; R108-G128 WeakPolarHBondContact CD-O 3.48Å; R108-G128 WeakPolarHBondContact CG-O 3.22Å; R108-G128 PolarHBondContact NE-O 2.95Å; R108-G128 VanDerWaalsContact NE-O 3.12Å; R108-D213 WeakPolarHBondContact CA-OD2 3.32Å
109I96.8Very high95.3Very high12 Ų1249.2 Ų49.26%0.06227%0.274CS..EExtended strand (participates in β ladder)trans-83.1113.8170.1-59.1166.5000107A111 V124 W149 I190 V192 D213 V215I109-A111 PolarHBondContact O-N 2.97Å; I109-V124 HydrophobicContact CG2-CB 4.07Å; I109-V124 HydrophobicContact CG2-CG1 4.44Å; I109-W149 HydrophobicContact CD1-CZ3 3.95Å; I109-W149 HydrophobicContact CG1-CH2 4.16Å; I109-W149 HydrophobicContact CG1-CZ3 3.92Å; I109-W149 HydrophobicContact CG2-CH2 4.2Å; I109-W149 HydrophobicContact CG2-CZ3 4.06Å; I109-I190 HydrophobicContact CD1-CG2 4.25Å; I109-I190 VanDerWaalsContact CD1-O 3.29Å; I109-I190 WeakPolarHBondContact CD1-O 3.08Å; I109-V192 HydrophobicContact CD1-CB 4.18Å; I109-V192 HydrophobicContact CD1-CG1 3.88Å; I109-V192 HydrophobicContact CG1-CB 4.13Å; I109-V192 HydrophobicContact CG1-CG1 3.44Å; I109-V192 VanDerWaalsContact CG1-CG1 3.44Å; I109-D213 WeakPolarHBondContact CD1-O 3.36Å; I109-D213 HydrophobicContact CG1-CB 4.33Å; I109-D213 PolarHBondContact N-OD2 3.35Å; I109-V215 HydrophobicContact CB-CG2 3.83Å; I109-V215 HydrophobicContact CD1-CG2 4.41Å; I109-V215 HydrophobicContact CG2-CG2 4.33Å
110L95.7Very high95.2Very high60 Ų6051.1 Ų51.131%0.31429%0.286SS..EExtended strand (participates in β ladder)trans-82107.4168.5-163.878.7000109.2R108 V124 Y125 M127R108-L110 PolarHBondContact O-N 3.32Å; L110-V124 WeakPolarHBondContact O-CA 3.28Å; L110-Y125 HydrophobicContact CB-CD2 4.24Å; L110-Y125 HydrophobicContact CB-CE2 3.98Å; L110-Y125 HydrophobicContact CD2-CE1 4.32Å; L110-Y125 HydrophobicContact CD2-CE2 3.59Å; L110-Y125 VanDerWaalsContact CD2-CZ 3.43Å; L110-Y125 WeakPolarHBondContact CD2-OH 3.24Å; L110-Y125 HydrophobicContact CG-CE2 4.43Å; L110-Y125 PolarHBondContact N-O 2.82Å; L110-Y125 PolarHBondContact O-N 2.9Å; L110-M127 HydrophobicContact CB-CG 4.22Å; L110-M127 HydrophobicContact CB-SD 4.06Å; L110-M127 HydrophobicContact CD1-SD 4.13Å; L110-M127 HydrophobicContact CD2-SD 3.8Å; L110-M127 HydrophobicContact CG-SD 4.21Å
111A95.3Very high95.1Very high23 Ų2354.2 Ų54.219%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-107128.6168.900000109.4I109 A113 M122 V124 V215I109-A111 PolarHBondContact O-N 2.97Å; A111-A113 VanDerWaalsContact C-N 3.26Å; A111-A113 PolarHBondContact O-N 3.47Å; A111-M122 HydrophobicContact CB-CE 3.89Å; A111-V124 HydrophobicContact CB-CG1 4.04Å; A111-V215 HydrophobicContact CB-CG1 4.36Å
112A93.6Very high95.1Very high92 Ų9254.7 Ų54.776%0.7630%0.301SS*.SBendtrans-66.3-30.3179.500000112.6M122A112-M122 HydrophobicContact CB-CG 4.46Å; A112-M122 HydrophobicContact CB-SD 4.22Å
113A94.6Very high95.1Very high38 Ų3856.5 Ų56.531%0.31431%0.313SS..  trans-147.1147.717500000110.7A111 L116 M122A111-A113 VanDerWaalsContact C-N 3.26Å; A111-A113 PolarHBondContact O-N 3.47Å; A113-L116 HydrophobicContact CB-CD2 4.04Å; A113-M122 HydrophobicContact CB-SD 4.07Å; A113-M122 PolarHBondContact N-SD 2.46Å; A113-M122 VanDerWaalsContact N-SD 3.36Å; A113-M122 VanDerWaalsContact O-CE 3.28Å; A113-M122 WeakPolarHBondContact O-CE 3.37Å
114T94.6Very high95.2Very high66 Ų6653.6 Ų53.641%0.40530%0.299SS..SBendtrans-108.5-0.2176.3540000112.8V215 I217 L218T114-V215 HydrophobicContact CG2-CG1 3.86Å; T114-I217 WeakPolarHBondContact O-CA 3.25Å; T114-L218 PolarHBondContact O-N 2.9Å
115R94.3Very high95.3Very high118 Ų11857.8 Ų57.845%0.44532%0.316SS..EExtended strand (participates in β ladder)trans-127.9112.8178.2-60.3177.1-176.1173.9-4.6107.9L218 F220 F296R115-L218 CarbonylContact C-O 3.51Å; R115-L218 VanDerWaalsContact CA-O 3.32Å; R115-L218 WeakPolarHBondContact CA-O 3.48Å; R115-L218 HydrophobicContact CG-CB 4.47Å; R115-F220 HydrophobicContact CB-CE1 4.13Å; R115-F296 PolarHBondContact NH1-O 3.13Å
116L95.2Very high95.4Very high17 Ų1750.1 Ų50.19%0.08929%0.287CS..EExtended strand (participates in β ladder)trans-128.2145.4-171.8-65.1173.6000110.7A113 M122 V180 T182 I217 L218 V219 F220A113-L116 HydrophobicContact CB-CD2 4.04Å; L116-M122 HydrophobicContact CD1-CB 4.3Å; L116-M122 HydrophobicContact CD1-CE 4.1Å; L116-M122 HydrophobicContact CD1-SD 4.14Å; L116-M122 HydrophobicContact CD2-SD 4.09Å; L116-V180 HydrophobicContact CD1-CG1 4.27Å; L116-T182 HydrophobicContact CB-CG2 3.83Å; L116-T182 HydrophobicContact CD1-CG2 3.83Å; L116-T182 HydrophobicContact CG-CG2 4.5Å; L116-I217 HydrophobicContact CD1-CD1 4.49Å; L116-I217 HydrophobicContact CD1-CG2 4.07Å; L116-I217 HydrophobicContact CG-CG2 4.44Å; L116-L218 PolarHBondContact N-O 2.93Å; L116-V219 CarbonylContact O-C 3.56Å; L116-V219 VanDerWaalsContact O-CA 3.24Å; L116-V219 WeakPolarHBondContact O-CA 3.35Å; L116-F220 WeakPolarHBondContact O-CD1 3.42Å; L116-F220 WeakPolarHBondContact O-CE1 3.31Å; L116-F220 PolarHBondContact O-N 3.28Å
117I95.2Very high95.4Very high49 Ų4948.9 Ų48.925%0.25127%0.274SS..EExtended strand (participates in β ladder)trans-77.2159166.860.7177.1000110.2T120 T182 F220 K222I117-T120 VanDerWaalsContact CG1-OG1 3.22Å; I117-T120 WeakPolarHBondContact CG1-OG1 3.32Å; I117-T120 PolarHBondContact O-OG1 2.81Å; I117-T182 PolarHBondContact O-OG1 2.76Å; I117-F220 CarbonylContact C-O 3.57Å; I117-F220 VanDerWaalsContact CA-O 3.23Å; I117-F220 WeakPolarHBondContact CA-O 3.49Å; I117-F220 HydrophobicContact CG2-CD2 4.1Å; I117-F220 HydrophobicContact CG2-CE1 4.45Å; I117-F220 HydrophobicContact CG2-CE2 3.52Å; I117-F220 HydrophobicContact CG2-CZ 3.72Å; I117-K222 HydrophobicContact CB-CB 4.36Å; I117-K222 HydrophobicContact CD1-CB 4.44Å; I117-K222 HydrophobicContact CD1-CD 4.26Å; I117-K222 HydrophobicContact CD1-CG 4.17Å
118T95Very high95.4Very high28 Ų2848.5 Ų48.517%0.17227%0.272CS..THydrogen-bonded Turntrans-58.3157.7171.550.10000112.5T120 K183 V219 F220 K222T118-T120 VanDerWaalsContact C-N 3.28Å; T118-T120 PolarHBondContact O-N 3.05Å; T118-K183 WeakPolarHBondContact CG2-O 3.46Å; T118-V219 HydrophobicContact CG2-CG1 3.84Å; T118-F220 PolarHBondContact N-O 3.47Å; T118-K222 PolarHBondContact OG1-N 3.21Å
119A94Very high95Very high85 Ų8547.6 Ų47.670%0.70228%0.276SS*.THydrogen-bonded Turntrans57.230.1179.700000115.9T182A119-T182 WeakPolarHBondContact CA-O 3.31Å; A119-T182 PolarHBondContact N-O 2.7Å; A119-T182 PolarHBondContact N-OG1 2.87Å; A119-T182 VanDerWaalsContact N-OG1 3.13Å
120T94.8Very high94.6Very high44 Ų4449.9 Ų49.927%0.2729%0.291SS..  trans-109.7151.9175.7-59.70000112I117 T118 T182I117-T120 VanDerWaalsContact CG1-OG1 3.22Å; I117-T120 WeakPolarHBondContact CG1-OG1 3.32Å; I117-T120 PolarHBondContact O-OG1 2.81Å; T118-T120 VanDerWaalsContact C-N 3.28Å; T118-T120 PolarHBondContact O-N 3.05Å; T120-T182 PolarHBondContact N-OG1 3.49Å; T120-T182 PolarHBondContact O-N 3.24Å; T120-T182 PolarHBondContact O-OG1 3.04Å
121K95.3Very high94.1Very high122 Ų12251.4 Ų51.453%0.5331%0.306SS..EExtended strand (participates in β ladder)trans-111.2138.1172.8-65.7178.5177.4178.50110.5E165 V179 V180K121-E165 IonicContact NZ-OE1 3.3Å; K121-E165 PolarHBondContact NZ-OE1 2.83Å; K121-V179 HydrophobicContact CB-CG1 4.03Å; K121-V179 HydrophobicContact CG-CG1 4.46Å; K121-V180 CarbonylContact C-O 3.53Å; K121-V180 VanDerWaalsContact CA-O 3.24Å; K121-V180 WeakPolarHBondContact CA-O 3.36Å
122M96.4Very high93.9Very high12 Ų1253.1 Ų53.16%0.05932%0.315CS..EExtended strand (participates in β ladder)trans-141.4134.6177.2-175-17370.400111.9A111 A112 A113 L116 V124 V179 V180 I217A111-M122 HydrophobicContact CB-CE 3.89Å; A112-M122 HydrophobicContact CB-CG 4.46Å; A112-M122 HydrophobicContact CB-SD 4.22Å; A113-M122 HydrophobicContact CB-SD 4.07Å; A113-M122 PolarHBondContact N-SD 2.46Å; A113-M122 VanDerWaalsContact N-SD 3.36Å; A113-M122 VanDerWaalsContact O-CE 3.28Å; A113-M122 WeakPolarHBondContact O-CE 3.37Å; L116-M122 HydrophobicContact CD1-CB 4.3Å; L116-M122 HydrophobicContact CD1-CE 4.1Å; L116-M122 HydrophobicContact CD1-SD 4.14Å; L116-M122 HydrophobicContact CD2-SD 4.09Å; M122-V124 HydrophobicContact CE-CG1 3.65Å; M122-V179 WeakPolarHBondContact O-CA 3.42Å; M122-V180 HydrophobicContact CB-CB 4.44Å; M122-V180 HydrophobicContact CE-CG2 4.27Å; M122-V180 PolarHBondContact N-O 3.04Å; M122-V180 PolarHBondContact O-N 3.05Å; M122-I217 HydrophobicContact CE-CD1 4.07Å
123P96Very high93.9Very high60 Ų6049.4 Ų49.439%0.3928%0.282SS..EExtended strand (participates in β ladder)trans-65.4141.3169.8-10.923.7000111.8R162P123-R162 VanDerWaalsContact CB-NH1 3.33Å
124V96.8Very high93.9Very high1 Ų149.7 Ų49.71%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-132.6145.2160.9-64.90000109.1I109 L110 A111 M122 W149 L159 A177 M178 V180I109-V124 HydrophobicContact CG2-CB 4.07Å; I109-V124 HydrophobicContact CG2-CG1 4.44Å; L110-V124 WeakPolarHBondContact O-CA 3.28Å; A111-V124 HydrophobicContact CB-CG1 4.04Å; M122-V124 HydrophobicContact CE-CG1 3.65Å; V124-W149 HydrophobicContact CG2-CH2 4.22Å; V124-W149 HydrophobicContact CG2-CZ3 4.12Å; V124-L159 HydrophobicContact CG2-CD2 4.47Å; V124-A177 CarbonylContact O-C 3.58Å; V124-A177 WeakPolarHBondContact O-CA 3.25Å; V124-M178 HydrophobicContact CG2-CB 3.86Å; V124-M178 PolarHBondContact N-O 3.18Å; V124-M178 PolarHBondContact O-N 3.46Å; V124-M178 VanDerWaalsContact O-O 3.11Å; V124-V180 HydrophobicContact CG1-CG2 3.66Å; V124-V180 HydrophobicContact CG2-CG2 4Å
125Y96.4Very high93.9Very high89 Ų8947.5 Ų47.535%0.34927%0.267SS..EExtended strand (participates in β ladder)trans-152.5158177.452.2-94000111.9L110 M127 P135 F176L110-Y125 HydrophobicContact CB-CD2 4.24Å; L110-Y125 HydrophobicContact CB-CE2 3.98Å; L110-Y125 HydrophobicContact CD2-CE1 4.32Å; L110-Y125 HydrophobicContact CD2-CE2 3.59Å; L110-Y125 VanDerWaalsContact CD2-CZ 3.43Å; L110-Y125 WeakPolarHBondContact CD2-OH 3.24Å; L110-Y125 HydrophobicContact CG-CE2 4.43Å; L110-Y125 PolarHBondContact N-O 2.82Å; L110-Y125 PolarHBondContact O-N 2.9Å; Y125-M127 HydrophobicContact CD2-CG 4.1Å; Y125-M127 HydrophobicContact CE2-CG 3.97Å; Y125-M127 HydrophobicContact CE2-SD 4.21Å; Y125-P135 HydrophobicContact CD2-CG 4.22Å; Y125-F176 CarbonylContact C-O 3.56Å; Y125-F176 VanDerWaalsContact CA-O 3.31Å; Y125-F176 WeakPolarHBondContact CA-O 3.43Å
126V96.6Very high93.9Very high0 Ų048.5 Ų48.50%027%0.274CS..EExtended strand (participates in β ladder)trans-77.5139.7179-1730000110.4V107 R108 P135 F138 F147 W149 F176 V192 V194V107-V126 HydrophobicContact CB-CG1 3.8Å; V107-V126 HydrophobicContact CG1-CG1 4.03Å; R108-V126 CarbonylContact O-C 3.49Å; R108-V126 WeakPolarHBondContact O-CA 3.29Å; V126-P135 WeakPolarHBondContact O-CG 3.5Å; V126-F138 HydrophobicContact CB-CE2 4.49Å; V126-F138 HydrophobicContact CB-CZ 4.27Å; V126-F138 HydrophobicContact CG1-CE2 4.46Å; V126-F138 HydrophobicContact CG1-CZ 4.13Å; V126-F147 HydrophobicContact CB-CE1 4.35Å; V126-F147 HydrophobicContact CG1-CE1 4.47Å; V126-F147 HydrophobicContact CG2-CD1 3.97Å; V126-F147 HydrophobicContact CG2-CE1 4.26Å; V126-W149 HydrophobicContact CG2-CH2 4Å; V126-W149 HydrophobicContact CG2-CZ2 3.62Å; V126-F176 PolarHBondContact N-O 3.24Å; V126-V192 HydrophobicContact CG2-CB 4.43Å; V126-V192 HydrophobicContact CG2-CG1 4.06Å; V126-V192 HydrophobicContact CG2-CG2 3.81Å; V126-V194 HydrophobicContact CG1-CG2 4.32Å
127M96.2Very high93.9Very high12 Ų1247.8 Ų47.86%0.05927%0.271CS..EExtended strand (participates in β ladder)trans-127.9162.5165.4-71.4-169.363.300109.8V107 R108 L110 Y125V107-M127 CarbonylContact C-O 3.54Å; V107-M127 WeakPolarHBondContact CA-O 3.49Å; R108-M127 HydrophobicContact CG-CB 3.81Å; R108-M127 PolarHBondContact N-O 3.04Å; R108-M127 PolarHBondContact O-N 2.86Å; L110-M127 HydrophobicContact CB-CG 4.22Å; L110-M127 HydrophobicContact CB-SD 4.06Å; L110-M127 HydrophobicContact CD1-SD 4.13Å; L110-M127 HydrophobicContact CD2-SD 3.8Å; L110-M127 HydrophobicContact CG-SD 4.21Å; Y125-M127 HydrophobicContact CD2-CG 4.1Å; Y125-M127 HydrophobicContact CE2-CG 3.97Å; Y125-M127 HydrophobicContact CE2-SD 4.21Å
128G94.3Very high93.8Very high0 Ų045.6 Ų45.60%026%0.259CS..EExtended strand (participates in β ladder)trans-77.7-169.3162.700000112.2R108 Q133R108-G128 WeakPolarHBondContact CD-O 3.48Å; R108-G128 WeakPolarHBondContact CG-O 3.22Å; R108-G128 PolarHBondContact NE-O 2.95Å; R108-G128 VanDerWaalsContact NE-O 3.12Å; G128-Q133 PolarHBondContact N-O 2.8Å
129V87.4Confident93.6Very high72 Ų7245.4 Ų45.444%0.43626%0.259SS..SBendtrans-68.5-40.7-174.9-173.70000111.7R105 A106R105-V129 HydrophobicContact CB-CG2 4.03Å; A106-V129 HydrophobicContact CB-CG2 3.78Å; A106-V129 WeakPolarHBondContact O-CG2 3.33Å
130T88.3Confident93.4Very high60 Ų6044.6 Ų44.637%0.36824%0.243SC..SBendtrans-91.9156.8-179.966.10000111.2T132 Q133T130-T132 PolarHBondContact O-N 3.5Å; T130-T132 PolarHBondContact OG1-OG1 3.08Å; T130-Q133 PolarHBondContact O-N 2.81Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.28Å; T130-Q133 PolarHBondContact OG1-N 2.62Å
131S86.6Confident93.3Very high91 Ų9143 Ų4364%0.63623%0.234SC*.THydrogen-bonded Turntrans-62.7-20173.650.50000113.5T134S131-T134 WeakPolarHBondContact O-CG2 3.47Å
132T89.7Confident93Very high60 Ų6043.4 Ų43.437%0.36824%0.242SC..THydrogen-bonded Turntrans-82.4-22.3178.158.30000113.4T130 T134 S137T130-T132 PolarHBondContact O-N 3.5Å; T130-T132 PolarHBondContact OG1-OG1 3.08Å; T132-T134 VanDerWaalsContact C-N 3.26Å; T132-T134 PolarHBondContact O-N 2.85Å; T132-S137 PolarHBondContact O-OG 2.79Å
133Q94Very high92.5Very high14 Ų1444.7 Ų44.77%0.06525%0.251CS..  trans-81.972.3174.7-69.6171.410.200110T26 V102 L104 G128 T130T26-Q133 HydrophobicContact CG2-CG 4.12Å; V102-Q133 HydrophobicContact CG2-CG 4.09Å; L104-Q133 HydrophobicContact CD2-CB 4.4Å; L104-Q133 HydrophobicContact CD2-CG 4.41Å; G128-Q133 PolarHBondContact N-O 2.8Å; T130-Q133 PolarHBondContact O-N 2.81Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.28Å; T130-Q133 PolarHBondContact OG1-N 2.62Å
134T95.1Very high92Very high43 Ų4342.6 Ų42.626%0.26424%0.241SC..  trans-86.4171.517870.10000110.6S131 T132 F136 S137 F138S131-T134 WeakPolarHBondContact O-CG2 3.47Å; T132-T134 VanDerWaalsContact C-N 3.26Å; T132-T134 PolarHBondContact O-N 2.85Å; T134-F136 PolarHBondContact O-N 3.03Å; T134-F136 VanDerWaalsContact O-N 3.1Å; T134-F136 PolarHBondContact OG1-N 3.35Å; T134-S137 PolarHBondContact N-OG 2.88Å; T134-S137 WeakPolarHBondContact O-CB 3.33Å; T134-S137 PolarHBondContact O-N 2.78Å; T134-S137 PolarHBondContact O-OG 2.82Å; T134-F138 VanDerWaalsContact O-CD1 3.29Å; T134-F138 WeakPolarHBondContact O-CD1 3.4Å; T134-F138 WeakPolarHBondContact O-CE1 3.12Å
135P94.9Very high91.8Very high21 Ų2142.7 Ų42.714%0.13624%0.241CC..G310 helixtrans-50.1-33.9171.7-30.736.7000114.2Y125 V126 S137 F138 S139 F176Y125-P135 HydrophobicContact CD2-CG 4.22Å; V126-P135 WeakPolarHBondContact O-CG 3.5Å; P135-S137 PolarHBondContact O-N 3.04Å; P135-S137 VanDerWaalsContact O-N 3.08Å; P135-F138 HydrophobicContact CB-CZ 4.5Å; P135-F138 HydrophobicContact CG-CZ 4.47Å; P135-F138 PolarHBondContact O-N 2.8Å; P135-F138 VanDerWaalsContact O-N 3.11Å; P135-S139 WeakPolarHBondContact O-CB 3.27Å; P135-S139 PolarHBondContact O-N 2.77Å; P135-S139 PolarHBondContact O-OG 2.91Å; P135-F176 HydrophobicContact CB-CD2 3.66Å; P135-F176 HydrophobicContact CB-CE2 3.56Å; P135-F176 HydrophobicContact CB-CG 4.41Å; P135-F176 HydrophobicContact CB-CZ 4.24Å; P135-F176 HydrophobicContact CG-CD2 3.9Å; P135-F176 HydrophobicContact CG-CE2 4.03Å
136F94.2Very high91.7Very high138 Ų13839.1 Ų39.161%0.60523%0.229SC*.G310 helixtrans-56.8-26.2174.9-69.7-72.2000113.6N31 M33 T134N31-F136 PolarHBondContact ND2-O 2.8Å; M33-F136 HydrophobicContact CE-CB 4.36Å; M33-F136 HydrophobicContact CE-CD1 4.34Å; M33-F136 HydrophobicContact CE-CG 4.35Å; M33-F136 HydrophobicContact SD-CB 3.98Å; T134-F136 PolarHBondContact O-N 3.03Å; T134-F136 VanDerWaalsContact O-N 3.1Å; T134-F136 PolarHBondContact OG1-N 3.35Å
137S94.1Very high91.7Very high3 Ų339.2 Ų39.22%0.02123%0.229CC..G310 helixtrans-76.8-21.6-178.7-55.40000113.9T26 I28 N31 T132 T134 P135T26-S137 VanDerWaalsContact O-CA 3.32Å; T26-S137 WeakPolarHBondContact O-CA 3.44Å; T26-S137 WeakPolarHBondContact O-CB 3.46Å; T26-S137 PolarHBondContact O-OG 3.13Å; I28-S137 WeakPolarHBondContact CG1-O 3.48Å; I28-S137 PolarHBondContact N-O 3.36Å; N31-S137 VanDerWaalsContact CB-O 3.24Å; N31-S137 WeakPolarHBondContact CB-O 3.15Å; N31-S137 PolarHBondContact ND2-O 3.21Å; N31-S137 VanDerWaalsContact ND2-O 3.13Å; T132-S137 PolarHBondContact O-OG 2.79Å; T134-S137 PolarHBondContact N-OG 2.88Å; T134-S137 WeakPolarHBondContact O-CB 3.33Å; T134-S137 PolarHBondContact O-N 2.78Å; T134-S137 PolarHBondContact O-OG 2.82Å; P135-S137 PolarHBondContact O-N 3.04Å; P135-S137 VanDerWaalsContact O-N 3.08Å
138F93.7Very high91.6Very high2 Ų242.8 Ų42.81%0.00925%0.246CC..THydrogen-bonded Turntrans-144.9-11.5-169.759.5-104.2000116.9I28 N31 L104 V126 T134 P135 N140 L145 F147I28-F138 HydrophobicContact CD1-CB 3.48Å; I28-F138 VanDerWaalsContact CD1-CB 3.48Å; I28-F138 HydrophobicContact CG1-CB 3.82Å; I28-F138 HydrophobicContact CG2-CB 4.06Å; N31-F138 WeakPolarHBondContact OD1-CA 3.32Å; N31-F138 PolarHBondContact OD1-N 3.12Å; N31-F138 PolarHBondContact OD1-O 2.87Å; L104-F138 HydrophobicContact CD1-CB 4.16Å; L104-F138 HydrophobicContact CD1-CD1 4.27Å; L104-F138 HydrophobicContact CD1-CG 4.22Å; L104-F138 HydrophobicContact CD2-CD1 4.3Å; V126-F138 HydrophobicContact CB-CE2 4.49Å; V126-F138 HydrophobicContact CB-CZ 4.27Å; V126-F138 HydrophobicContact CG1-CE2 4.46Å; V126-F138 HydrophobicContact CG1-CZ 4.13Å; T134-F138 VanDerWaalsContact O-CD1 3.29Å; T134-F138 WeakPolarHBondContact O-CD1 3.4Å; T134-F138 WeakPolarHBondContact O-CE1 3.12Å; P135-F138 HydrophobicContact CB-CZ 4.5Å; P135-F138 HydrophobicContact CG-CZ 4.47Å; P135-F138 PolarHBondContact O-N 2.8Å; P135-F138 VanDerWaalsContact O-N 3.11Å; F138-N140 VanDerWaalsContact C-N 3.29Å; F138-N140 PolarHBondContact O-N 3.39Å; F138-L145 HydrophobicContact CB-CD1 4.02Å; F138-L145 HydrophobicContact CD2-CD1 4.19Å; F138-L145 HydrophobicContact CG-CD1 4.41Å; F138-F147 HydrophobicContact CD2-CE1 4.35Å; F138-F147 AromaticContact CD2-CZ 3.92Å; F138-F147 HydrophobicContact CD2-CZ 3.92Å; F138-F147 AromaticContact CE2-CE1 3.92Å; F138-F147 HydrophobicContact CE2-CE1 3.92Å; F138-F147 AromaticContact CE2-CZ 3.86Å; F138-F147 HydrophobicContact CE2-CZ 3.86Å
139S90Very high91.7Very high24 Ų2444.6 Ų44.617%0.16825%0.253CS..THydrogen-bonded Turntrans-70.4-17.5-168.563.70000115.5N31 P135 F176N31-S139 PolarHBondContact OD1-N 2.87Å; P135-S139 WeakPolarHBondContact O-CB 3.27Å; P135-S139 PolarHBondContact O-N 2.77Å; P135-S139 PolarHBondContact O-OG 2.91Å; S139-F176 VanDerWaalsContact CB-CE1 3.49Å
140N91.6Very high92.1Very high68 Ų6844 Ų4436%0.36425%0.251SS..THydrogen-bonded Turntrans-124.823.5-176.273.82.1000113.2N31 M32 F138N31-N140 PolarHBondContact ND2-OD1 3.06Å; N31-N140 PolarHBondContact OD1-N 2.67Å; N31-N140 VanDerWaalsContact OD1-N 3.15Å; N31-N140 PolarHBondContact OD1-OD1 3.22Å; M32-N140 PolarHBondContact N-OD1 3.06Å; M32-N140 VanDerWaalsContact O-CG 3.3Å; M32-N140 PolarHBondContact O-ND2 3.26Å; M32-N140 PolarHBondContact O-OD1 2.91Å; F138-N140 VanDerWaalsContact C-N 3.29Å; F138-N140 PolarHBondContact O-N 3.39Å
141A91.3Very high92.4Very high10 Ų1043 Ų438%0.08324%0.243CC..  trans-61.7150.8178.400000112.5I28 M30 N31 P143 G144I28-A141 HydrophobicContact CD1-CB 4.1Å; I28-A141 HydrophobicContact CG1-CB 4.44Å; M30-A141 VanDerWaalsContact O-CA 3.32Å; M30-A141 WeakPolarHBondContact O-CA 3.44Å; N31-A141 HydrophobicContact CB-CB 4.05Å; N31-A141 PolarHBondContact OD1-N 2.96Å; A141-P143 CarbonylContact C-O 3.42Å; A141-P143 CarbonylContact O-C 3.48Å; A141-G144 WeakPolarHBondContact O-CA 3.35Å; A141-G144 PolarHBondContact O-N 2.88Å
142N88.7Confident92.8Very high131 Ų13142 Ų4270%0.70124%0.236SC*.SBendtrans-138.9105178.8-174.512.8000111.9M30M30-N142 WeakPolarHBondContact CB-O 3.37Å; M30-N142 PolarHBondContact O-N 3.38Å; M30-N142 VanDerWaalsContact O-N 3.13Å
143P85.7Confident93.1Very high39 Ų3944.1 Ų44.125%0.25324%0.24SC..SBendcis-62.5145.68.9-22.734.1000113.9A141 M197 N198 Q203A141-P143 CarbonylContact C-O 3.42Å; A141-P143 CarbonylContact O-C 3.48Å; P143-M197 HydrophobicContact CB-CB 4.23Å; P143-N198 HydrophobicContact CB-CB 4.49Å; P143-N198 HydrophobicContact CG-CB 4.32Å; P143-Q203 PolarHBondContact O-NE2 3.45Å
144G86.3Confident93.1Very high16 Ų1652 Ų5217%0.16527%0.269CS..PPolyproline II helixtrans-79.9164-173.100000114.7A141 M197A141-G144 WeakPolarHBondContact O-CA 3.35Å; A141-G144 PolarHBondContact O-N 2.88Å; G144-M197 WeakPolarHBondContact O-CG 3.33Å
145L93.4Very high93.2Very high3 Ų356.3 Ų56.32%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-92.5144.1164-58.3-179.3000108.9I28 L104 F138 F147 E173 V194 H195 C196 Q203 F204I28-L145 HydrophobicContact CD1-CD1 3.96Å; I28-L145 HydrophobicContact CD1-CG 4.48Å; L104-L145 HydrophobicContact CD1-CD1 4.09Å; F138-L145 HydrophobicContact CB-CD1 4.02Å; F138-L145 HydrophobicContact CD2-CD1 4.19Å; F138-L145 HydrophobicContact CG-CD1 4.41Å; L145-F147 HydrophobicContact CB-CE2 4.05Å; L145-F147 HydrophobicContact CB-CZ 3.97Å; L145-F147 HydrophobicContact CD1-CZ 4.43Å; L145-E173 WeakPolarHBondContact O-CA 3.43Å; L145-V194 HydrophobicContact CB-CG1 3.97Å; L145-V194 HydrophobicContact CD1-CG1 4.14Å; L145-V194 HydrophobicContact CG-CG1 4.49Å; L145-H195 CarbonylContact C-O 3.6Å; L145-H195 VanDerWaalsContact CA-O 3.3Å; L145-H195 WeakPolarHBondContact CA-O 3.17Å; L145-C196 HydrophobicContact CD2-CB 4.11Å; L145-Q203 HydrophobicContact CD2-CB 4.44Å; L145-F204 HydrophobicContact CD1-CE1 4.19Å; L145-F204 HydrophobicContact CD2-CE1 3.68Å; L145-F204 HydrophobicContact CD2-CZ 3.79Å
146T94.5Very high93.3Very high15 Ų1555.8 Ų55.89%0.09229%0.287CS..EExtended strand (participates in β ladder)trans-109.4141.3171.865.50000111H148 V172 E173 V194 H195 M197T146-H148 PolarHBondContact OG1-NE2 3.35Å; T146-V172 HydrophobicContact CG2-CG2 4Å; T146-E173 HydrophobicContact CG2-CG 4.2Å; T146-V194 VanDerWaalsContact O-CA 3.28Å; T146-V194 WeakPolarHBondContact O-CA 3.44Å; T146-H195 PolarHBondContact N-O 3.13Å; T146-H195 PolarHBondContact O-N 2.85Å; T146-M197 HydrophobicContact CG2-CE 3.75Å
147F95.2Very high93.4Very high2 Ų249.2 Ų49.21%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-116.2111.8-173.5-58.9-90.6000110.9V126 F138 L145 V172 E173 N175 F176 V194V126-F147 HydrophobicContact CB-CE1 4.35Å; V126-F147 HydrophobicContact CG1-CE1 4.47Å; V126-F147 HydrophobicContact CG2-CD1 3.97Å; V126-F147 HydrophobicContact CG2-CE1 4.26Å; F138-F147 HydrophobicContact CD2-CE1 4.35Å; F138-F147 AromaticContact CD2-CZ 3.92Å; F138-F147 HydrophobicContact CD2-CZ 3.92Å; F138-F147 AromaticContact CE2-CE1 3.92Å; F138-F147 HydrophobicContact CE2-CE1 3.92Å; F138-F147 AromaticContact CE2-CZ 3.86Å; F138-F147 HydrophobicContact CE2-CZ 3.86Å; L145-F147 HydrophobicContact CB-CE2 4.05Å; L145-F147 HydrophobicContact CB-CZ 3.97Å; L145-F147 HydrophobicContact CD1-CZ 4.43Å; F147-V172 WeakPolarHBondContact CD2-O 3.46Å; F147-V172 PolarHBondContact N-O 2.83Å; F147-E173 WeakPolarHBondContact CE2-O 3.28Å; F147-N175 HydrophobicContact CB-CB 4.5Å; F147-N175 WeakPolarHBondContact CB-O 3.15Å; F147-F176 HydrophobicContact CD1-CB 3.84Å; F147-F176 HydrophobicContact CD2-CB 4.08Å; F147-F176 HydrophobicContact CE1-CB 3.68Å; F147-F176 HydrophobicContact CE2-CB 3.93Å; F147-F176 HydrophobicContact CG-CB 4.05Å; F147-F176 HydrophobicContact CZ-CB 3.74Å; F147-V194 HydrophobicContact CD1-CB 4.47Å; F147-V194 HydrophobicContact CD1-CG1 4.04Å; F147-V194 HydrophobicContact CD1-CG2 3.69Å; F147-V194 HydrophobicContact CE1-CG1 3.76Å; F147-V194 HydrophobicContact CE1-CG2 3.9Å; F147-V194 HydrophobicContact CZ-CG1 4.28Å
148H95.4Very high93.4Very high86 Ų8651 Ų5140%0.39827%0.267SS..EExtended strand (participates in β ladder)trans-110.1114.1-179.2-65.6-95.9000110.3T146 V192 T193 H195T146-H148 PolarHBondContact OG1-NE2 3.35Å; H148-V192 CarbonylContact O-C 3.55Å; H148-V192 WeakPolarHBondContact O-CA 3.26Å; H148-T193 PolarHBondContact N-O 2.82Å; H148-T193 PolarHBondContact O-N 3.02Å; H148-H195 AromaticContact CD2-CD2 3.55Å; H148-H195 AromaticContact NE2-CD2 3.99Å
149W95.6Very high93.5Very high39 Ų3951.9 Ų51.915%0.14827%0.272CS..EExtended strand (participates in β ladder)trans-101140.5179.7-6686.8000111.3I109 V124 V126 L159 N175 M178 I190 K191 V192I109-W149 HydrophobicContact CD1-CZ3 3.95Å; I109-W149 HydrophobicContact CG1-CH2 4.16Å; I109-W149 HydrophobicContact CG1-CZ3 3.92Å; I109-W149 HydrophobicContact CG2-CH2 4.2Å; I109-W149 HydrophobicContact CG2-CZ3 4.06Å; V124-W149 HydrophobicContact CG2-CH2 4.22Å; V124-W149 HydrophobicContact CG2-CZ3 4.12Å; V126-W149 HydrophobicContact CG2-CH2 4Å; V126-W149 HydrophobicContact CG2-CZ2 3.62Å; W149-L159 HydrophobicContact CB-CD1 4.31Å; W149-N175 PolarHBondContact NE1-O 3.41Å; W149-M178 HydrophobicContact CB-CG 4.49Å; W149-M178 HydrophobicContact CD2-CG 3.68Å; W149-M178 HydrophobicContact CE3-CG 4.36Å; W149-M178 HydrophobicContact CG-CG 3.72Å; W149-M178 HydrophobicContact CG-SD 4.46Å; W149-M178 HydrophobicContact CZ2-CG 4.21Å; W149-I190 HydrophobicContact CE3-CG2 3.72Å; W149-I190 HydrophobicContact CZ3-CG2 3.87Å; W149-K191 WeakPolarHBondContact CA-O 3.41Å; W149-V192 HydrophobicContact CD2-CB 3.96Å; W149-V192 HydrophobicContact CD2-CG2 3.75Å; W149-V192 HydrophobicContact CE3-CB 3.77Å; W149-V192 HydrophobicContact CE3-CG2 4.1Å; W149-V192 HydrophobicContact CG-CG2 4.28Å; W149-V192 HydrophobicContact CH2-CB 4.02Å; W149-V192 HydrophobicContact CH2-CG1 4.47Å; W149-V192 HydrophobicContact CH2-CG2 4.15Å; W149-V192 HydrophobicContact CZ2-CB 4.21Å; W149-V192 HydrophobicContact CZ2-CG2 3.82Å; W149-V192 HydrophobicContact CZ3-CB 3.8Å; W149-V192 HydrophobicContact CZ3-CG1 4.48Å; W149-V192 HydrophobicContact CZ3-CG2 4.28Å
150S95.5Very high93.6Very high59 Ų5952.6 Ų52.641%0.41328%0.275SS..EExtended strand (participates in β ladder)trans-141.8161.1175.962.40000110.9I190 K191S150-I190 WeakPolarHBondContact O-CA 3.45Å; S150-K191 PolarHBondContact N-O 3.1Å; S150-K191 PolarHBondContact O-N 2.9Å; S150-K191 PolarHBondContact OG-O 3.01Å
151M95.1Very high93.6Very high40 Ų4050.9 Ų50.920%0.19727%0.268CS..EExtended strand (participates in β ladder)trans-141.7149177.974.5-16582.100110.8R154 L157 L159 S189M151-R154 HydrophobicContact CG-CG 4.08Å; M151-R154 HydrophobicContact SD-CG 3.89Å; M151-L157 HydrophobicContact SD-CD1 4.08Å; M151-L159 HydrophobicContact CB-CD1 4.14Å; M151-L159 HydrophobicContact CE-CB 3.57Å; M151-L159 HydrophobicContact CE-CD1 3.86Å; M151-L159 HydrophobicContact CE-CG 3.7Å; M151-L159 HydrophobicContact SD-CG 4.49Å; M151-S189 CarbonylContact C-O 3.59Å; M151-S189 VanDerWaalsContact CA-O 3.22Å; M151-S189 WeakPolarHBondContact CA-O 3.22Å
152S95.8Very high93.6Very high68 Ų6855.9 Ų55.948%0.47629%0.285SS..SBendtrans-76.3-37.7-175.969.30000114.3T188 S189S152-T188 VanDerWaalsContact OG-CA 3.31Å; S152-T188 WeakPolarHBondContact OG-CA 3.41Å; S152-T188 PolarHBondContact OG-OG1 2.91Å; S152-S189 WeakPolarHBondContact CB-OG 3.33Å; S152-S189 PolarHBondContact N-O 2.81Å; S152-S189 PolarHBondContact OG-N 2.82Å
153K95.6Very high93.7Very high106 Ų10653.8 Ų53.846%0.46127%0.271SS..  trans-137.5111-176.4-61-176.2-172.7167.50111.1D155 V156 R187 T188K153-D155 VanDerWaalsContact C-N 3.34Å; K153-V156 HydrophobicContact CB-CB 4.33Å; K153-V156 HydrophobicContact CB-CG2 3.99Å; K153-V156 HydrophobicContact CD-CG2 4.16Å; K153-R187 WeakPolarHBondContact CD-O 3.47Å; K153-R187 PolarHBondContact NZ-O 2.85Å; K153-T188 PolarHBondContact N-OG1 2.82Å; K153-T188 PolarHBondContact O-OG1 3.22Å
154R94.3Very high93.8Very high178 Ų17854 Ų5467%0.67227%0.273SS*.THydrogen-bonded Turntrans-75-21.9179.2-65-177-177.2-121.73.6113.5M151 V156 L157M151-R154 HydrophobicContact CG-CG 4.08Å; M151-R154 HydrophobicContact SD-CG 3.89Å; R154-V156 VanDerWaalsContact C-N 3.25Å; R154-V156 PolarHBondContact O-N 2.99Å; R154-L157 WeakPolarHBondContact CA-O 3.13Å
155D96.1Very high93.8Very high134 Ų13460 Ų6072%0.71730%0.296SS*.THydrogen-bonded Turntrans-71.5-25.9178.9-50-23.1000111.5K153 K183 A184K153-D155 VanDerWaalsContact C-N 3.34Å; D155-K183 WeakPolarHBondContact O-CB 3Å; D155-A184 VanDerWaalsContact O-CB 3.31Å; D155-A184 WeakPolarHBondContact O-CB 3.39Å
156V96.6Very high93.7Very high10 Ų1064.8 Ų64.86%0.06133%0.326CS..THydrogen-bonded Turntrans-85.7-44.1-178.3176.50000111.6K153 R154 K183 A184 G186 T188 V219K153-V156 HydrophobicContact CB-CB 4.33Å; K153-V156 HydrophobicContact CB-CG2 3.99Å; K153-V156 HydrophobicContact CD-CG2 4.16Å; R154-V156 VanDerWaalsContact C-N 3.25Å; R154-V156 PolarHBondContact O-N 2.99Å; V156-K183 PolarHBondContact O-N 3.11Å; V156-A184 WeakPolarHBondContact CG1-O 3.4Å; V156-A184 PolarHBondContact O-N 2.82Å; V156-G186 WeakPolarHBondContact CG1-O 3.47Å; V156-T188 HydrophobicContact CB-CG2 4.14Å; V156-T188 HydrophobicContact CG1-CG2 3.71Å; V156-V219 HydrophobicContact CG1-CB 3.84Å; V156-V219 HydrophobicContact CG1-CG2 3.63Å
157L96.6Very high93.3Very high0 Ų073.5 Ų73.50%036%0.363CS..EExtended strand (participates in β ladder)trans-154161.3176.66781.7000111.5M151 R154 L159 V180 H181 T188 I190 I217 V219M151-L157 HydrophobicContact SD-CD1 4.08Å; R154-L157 WeakPolarHBondContact CA-O 3.13Å; L157-L159 HydrophobicContact CD1-CG 4.3Å; L157-V180 HydrophobicContact CB-CG1 4.36Å; L157-V180 HydrophobicContact CD1-CG1 4.22Å; L157-V180 HydrophobicContact CD2-CG1 3.81Å; L157-V180 HydrophobicContact CG-CG1 4.37Å; L157-H181 CarbonylContact C-O 3.48Å; L157-H181 VanDerWaalsContact CA-O 3.22Å; L157-H181 WeakPolarHBondContact CA-O 3.37Å; L157-H181 WeakPolarHBondContact CB-O 3.39Å; L157-T188 HydrophobicContact CD2-CG2 3.25Å; L157-T188 HydrophobicContact CG-CG2 3.63Å; L157-I190 HydrophobicContact CD1-CD1 4.35Å; L157-I190 HydrophobicContact CD1-CG1 4.29Å; L157-I190 HydrophobicContact CD2-CD1 4.39Å; L157-I217 HydrophobicContact CD2-CB 4.2Å; L157-I217 HydrophobicContact CD2-CD1 4.34Å; L157-I217 HydrophobicContact CD2-CG2 4.15Å; L157-V219 HydrophobicContact CD2-CG2 4.41Å
158D95.4Very high93Very high40 Ų4077.5 Ų77.521%0.21438%0.384CS..EExtended strand (participates in β ladder)trans-107.8152.6166.5-70.5-23.6000111.4V160 V180 H181 K183D158-V160 HydrophobicContact CB-CG1 4.25Å; D158-V180 WeakPolarHBondContact O-CA 3.29Å; D158-H181 HydrophobicContact CB-CB 4.41Å; D158-H181 PolarHBondContact N-O 3.37Å; D158-H181 PolarHBondContact O-N 2.83Å; D158-K183 WeakPolarHBondContact OD1-CE 3.4Å; D158-K183 IonicContact OD1-NZ 3.9Å; D158-K183 PolarHBondContact OD1-NZ 2.77Å; D158-K183 WeakPolarHBondContact OD2-CE 3.21Å; D158-K183 IonicContact OD2-NZ 3.56Å; D158-K183 PolarHBondContact OD2-NZ 3.08Å
159L94.1Very high92.5Very high22 Ų2281.3 Ų81.312%0.11540%0.402CS..EExtended strand (participates in β ladder)trans-107.6117.7163-68.4171.5000108.4V124 W149 M151 L157 M178 V180 I190V124-L159 HydrophobicContact CG2-CD2 4.47Å; W149-L159 HydrophobicContact CB-CD1 4.31Å; M151-L159 HydrophobicContact CB-CD1 4.14Å; M151-L159 HydrophobicContact CE-CB 3.57Å; M151-L159 HydrophobicContact CE-CD1 3.86Å; M151-L159 HydrophobicContact CE-CG 3.7Å; M151-L159 HydrophobicContact SD-CG 4.49Å; L157-L159 HydrophobicContact CD1-CG 4.3Å; L159-M178 HydrophobicContact CB-CE 3.9Å; L159-M178 HydrophobicContact CD2-CB 4.49Å; L159-V180 HydrophobicContact CD2-CG2 3.71Å; L159-I190 HydrophobicContact CD1-CB 4.41Å; L159-I190 HydrophobicContact CD1-CG1 4.14Å; L159-I190 HydrophobicContact CD1-CG2 3.6Å; L159-I190 HydrophobicContact CD2-CD1 3.83Å; L159-I190 HydrophobicContact CD2-CG1 4.05Å; L159-I190 HydrophobicContact CD2-CG2 4.1Å; L159-I190 HydrophobicContact CG-CG1 4.37Å; L159-I190 HydrophobicContact CG-CG2 4.45Å
160V93.3Very high92Very high38 Ų3881.8 Ų81.823%0.2341%0.407CS..EExtended strand (participates in β ladder)trans-116.2147.3179.2-57.60000110.8D158 V179D158-V160 HydrophobicContact CB-CG1 4.25Å; V160-V179 HydrophobicContact CG2-CB 3.76Å; V160-V179 HydrophobicContact CG2-CG1 4.35Å; V160-V179 PolarHBondContact N-O 3.04Å; V160-V179 PolarHBondContact O-N 2.87Å
161P92.1Very high91.7Very high32 Ų3282.3 Ų82.321%0.20841%0.409CS..EExtended strand (participates in β ladder)trans-58.5151173.7-24.434.3000112.2H163 S164P161-H163 PolarHBondContact O-N 2.85Å; P161-H163 VanDerWaalsContact O-N 3.14Å; P161-S164 WeakPolarHBondContact O-CB 3.29Å; P161-S164 PolarHBondContact O-N 3.36Å; P161-S164 VanDerWaalsContact O-N 3.11Å; P161-S164 PolarHBondContact O-OG 3.13Å
162R90.1Very high91.3Very high115 Ų11583.2 Ų83.243%0.43442%0.417SS..THydrogen-bonded Turntrans-56.4-29.4-179.8-70.2-68.7-61176.2-0.1114.3P123 A177P123-R162 VanDerWaalsContact CB-NH1 3.33Å; R162-A177 HydrophobicContact CG-CB 3.81Å; R162-A177 WeakPolarHBondContact CG-O 3.3Å
163H90.4Very high91Very high88 Ų8883 Ų8341%0.40741%0.408SS..THydrogen-bonded Turntrans-106.321.2-177.9-56.7-63.6000113.5P161 E165 V166 F167 L168P161-H163 PolarHBondContact O-N 2.85Å; P161-H163 VanDerWaalsContact O-N 3.14Å; H163-E165 PolarHBondContact O-N 2.9Å; H163-V166 HydrophobicContact CB-CG2 4.04Å; H163-V166 VanDerWaalsContact O-CG2 3.25Å; H163-V166 WeakPolarHBondContact O-CG2 3.2Å; H163-V166 PolarHBondContact O-N 3.41Å; H163-F167 PolarHBondContact O-N 2.95Å; H163-L168 CarbonylContact C-O 3.58Å; H163-L168 HydrophobicContact CB-CB 3.91Å; H163-L168 HydrophobicContact CB-CD2 3.91Å; H163-L168 PolarHBondContact O-N 3.04Å; H163-L168 VanDerWaalsContact O-N 3.13Å
164S87.6Confident90.7Very high42 Ų4282.2 Ų82.229%0.29441%0.406SS..G310 helixtrans-59.4-29.7178.848.70000113.8P161 V166 F167P161-S164 WeakPolarHBondContact O-CB 3.29Å; P161-S164 PolarHBondContact O-N 3.36Å; P161-S164 VanDerWaalsContact O-N 3.11Å; P161-S164 PolarHBondContact O-OG 3.13Å; S164-V166 PolarHBondContact O-N 3.13Å; S164-F167 PolarHBondContact O-N 3.33Å
165E86.9Confident90.4Very high142 Ų14274.8 Ų74.866%0.66438%0.38SS*.G310 helixtrans-65.8-23.6179.2-60.8-175.6162.900113.4K121 H163K121-E165 IonicContact NZ-OE1 3.3Å; K121-E165 PolarHBondContact NZ-OE1 2.83Å; H163-E165 PolarHBondContact O-N 2.9Å
166V91.3Very high90.3Very high105 Ų10571 Ų7164%0.63636%0.357SS*.G310 helixtrans-108.416.6173.8-63.30000112H163 S164 L168H163-V166 HydrophobicContact CB-CG2 4.04Å; H163-V166 VanDerWaalsContact O-CG2 3.25Å; H163-V166 WeakPolarHBondContact O-CG2 3.2Å; H163-V166 PolarHBondContact O-N 3.41Å; S164-V166 PolarHBondContact O-N 3.13Å; V166-L168 HydrophobicContact CG2-CB 3.97Å; V166-L168 PolarHBondContact O-N 2.77Å; V166-L168 VanDerWaalsContact O-N 3.15Å
167F85.5Confident90.2Very high198 Ų19871.2 Ų71.287%0.86836%0.36SS*.THydrogen-bonded Turntrans54.530.7-179.9-54.6-80.9000114.1H163 S164H163-F167 PolarHBondContact O-N 2.95Å; S164-F167 PolarHBondContact O-N 3.33Å
168L89.5Confident90.1Very high86 Ų8671.7 Ų71.745%0.4536%0.362SS..  trans-101.1123.5178.1-173.5147.5000110.2H163 V166 L170H163-L168 CarbonylContact C-O 3.58Å; H163-L168 HydrophobicContact CB-CB 3.91Å; H163-L168 HydrophobicContact CB-CD2 3.91Å; H163-L168 PolarHBondContact O-N 3.04Å; H163-L168 VanDerWaalsContact O-N 3.13Å; V166-L168 HydrophobicContact CG2-CB 3.97Å; V166-L168 PolarHBondContact O-N 2.77Å; V166-L168 VanDerWaalsContact O-N 3.15Å; L168-L170 HydrophobicContact CD2-CD2 3.95Å; L168-L170 HydrophobicContact CD2-CG 4.19Å
169Q84.4Confident90.2Very high166 Ų16670.7 Ų70.778%0.77636%0.357SS*.  trans-104.4119.8177-172.1169.3-3.100109.9
170L85.2Confident90.3Very high49 Ų4969.7 Ų69.726%0.25735%0.352SS..  trans-75.3145.4174.4-70.7172.9000110.5L168 H174L168-L170 HydrophobicContact CD2-CD2 3.95Å; L168-L170 HydrophobicContact CD2-CG 4.19Å; L170-H174 HydrophobicContact CB-CB 4.44Å
171P89.1Confident90.4Very high69 Ų6971.1 Ų71.145%0.44836%0.356SS..  trans-56.8158.2165.4-23.134.1000112.1E173 H174 N175P171-E173 WeakPolarHBondContact CB-OE2 3.24Å; P171-E173 PolarHBondContact O-N 3.43Å; P171-E173 VanDerWaalsContact O-N 3.15Å; P171-H174 PolarHBondContact O-N 2.78Å; P171-N175 PolarHBondContact O-N 3.15Å
172V88.4Confident90.7Very high60 Ų6069.7 Ų69.736%0.36435%0.347SS..THydrogen-bonded Turntrans-62.3-23.9-177.2-660000112.6T146 F147 H174T146-V172 HydrophobicContact CG2-CG2 4Å; F147-V172 WeakPolarHBondContact CD2-O 3.46Å; F147-V172 PolarHBondContact N-O 2.83Å; V172-H174 VanDerWaalsContact C-N 3.29Å; V172-H174 PolarHBondContact O-N 3.3Å
173E88.9Confident90.9Very high62 Ų6269.1 Ų69.129%0.2935%0.347SS..THydrogen-bonded Turntrans-68.3-27177.2-60.575.3-169.300112.7L145 T146 F147 P171 M197L145-E173 WeakPolarHBondContact O-CA 3.43Å; T146-E173 HydrophobicContact CG2-CG 4.2Å; F147-E173 WeakPolarHBondContact CE2-O 3.28Å; P171-E173 WeakPolarHBondContact CB-OE2 3.24Å; P171-E173 PolarHBondContact O-N 3.43Å; P171-E173 VanDerWaalsContact O-N 3.15Å; E173-M197 HydrophobicContact CG-CE 4.4Å
174H88.2Confident91.2Very high91 Ų9167 Ų6742%0.42135%0.345SS..THydrogen-bonded Turntrans-111.74.2-176.3-58-44000112.6L170 P171 V172 F176L170-H174 HydrophobicContact CB-CB 4.44Å; P171-H174 PolarHBondContact O-N 2.78Å; V172-H174 VanDerWaalsContact C-N 3.29Å; V172-H174 PolarHBondContact O-N 3.3Å; H174-F176 WeakPolarHBondContact O-CD1 3.42Å; H174-F176 PolarHBondContact O-N 3.3Å; H174-F176 VanDerWaalsContact O-N 3.13Å
175N89.7Confident91.5Very high22 Ų2267.4 Ų67.412%0.11835%0.351CS..  trans-88.841.4-174.4-159.936.7000112.9F147 W149 P171 A177 M178F147-N175 HydrophobicContact CB-CB 4.5Å; F147-N175 WeakPolarHBondContact CB-O 3.15Å; W149-N175 PolarHBondContact NE1-O 3.41Å; P171-N175 PolarHBondContact O-N 3.15Å; N175-A177 PolarHBondContact O-N 3.04Å; N175-M178 PolarHBondContact ND2-SD 2.84Å; N175-M178 VanDerWaalsContact ND2-SD 3.37Å; N175-M178 PolarHBondContact OD1-SD 2.63Å
176F93.5Very high91.9Very high53 Ų5361.7 Ų61.723%0.23233%0.33CS..  trans-75.2-4179.560.2-96.3000113.6Y125 V126 P135 S139 F147 H174Y125-F176 CarbonylContact C-O 3.56Å; Y125-F176 VanDerWaalsContact CA-O 3.31Å; Y125-F176 WeakPolarHBondContact CA-O 3.43Å; V126-F176 PolarHBondContact N-O 3.24Å; P135-F176 HydrophobicContact CB-CD2 3.66Å; P135-F176 HydrophobicContact CB-CE2 3.56Å; P135-F176 HydrophobicContact CB-CG 4.41Å; P135-F176 HydrophobicContact CB-CZ 4.24Å; P135-F176 HydrophobicContact CG-CD2 3.9Å; P135-F176 HydrophobicContact CG-CE2 4.03Å; S139-F176 VanDerWaalsContact CB-CE1 3.49Å; F147-F176 HydrophobicContact CD1-CB 3.84Å; F147-F176 HydrophobicContact CD2-CB 4.08Å; F147-F176 HydrophobicContact CE1-CB 3.68Å; F147-F176 HydrophobicContact CE2-CB 3.93Å; F147-F176 HydrophobicContact CG-CB 4.05Å; F147-F176 HydrophobicContact CZ-CB 3.74Å; H174-F176 WeakPolarHBondContact O-CD1 3.42Å; H174-F176 PolarHBondContact O-N 3.3Å; H174-F176 VanDerWaalsContact O-N 3.13Å
177A94.8Very high92.1Very high15 Ų1565.1 Ų65.112%0.12433%0.332CS..EExtended strand (participates in β ladder)trans-137.7140.6-179.700000110.9V124 R162 N175V124-A177 CarbonylContact O-C 3.58Å; V124-A177 WeakPolarHBondContact O-CA 3.25Å; R162-A177 HydrophobicContact CG-CB 3.81Å; R162-A177 WeakPolarHBondContact CG-O 3.3Å; N175-A177 PolarHBondContact O-N 3.04Å
178M94.8Very high92.6Very high11 Ų1156 Ų565%0.05429%0.292CS..EExtended strand (participates in β ladder)trans-133.6170.2-179.6-63.6-68-76.800110.5V124 W149 L159 N175V124-M178 HydrophobicContact CG2-CB 3.86Å; V124-M178 PolarHBondContact N-O 3.18Å; V124-M178 PolarHBondContact O-N 3.46Å; V124-M178 VanDerWaalsContact O-O 3.11Å; W149-M178 HydrophobicContact CB-CG 4.49Å; W149-M178 HydrophobicContact CD2-CG 3.68Å; W149-M178 HydrophobicContact CE3-CG 4.36Å; W149-M178 HydrophobicContact CG-CG 3.72Å; W149-M178 HydrophobicContact CG-SD 4.46Å; W149-M178 HydrophobicContact CZ2-CG 4.21Å; L159-M178 HydrophobicContact CB-CE 3.9Å; L159-M178 HydrophobicContact CD2-CB 4.49Å; N175-M178 PolarHBondContact ND2-SD 2.84Å; N175-M178 VanDerWaalsContact ND2-SD 3.37Å; N175-M178 PolarHBondContact OD1-SD 2.63Å
179V95.7Very high92.9Very high19 Ų1952.5 Ų52.512%0.11528%0.275CS..EExtended strand (participates in β ladder)trans-115.6125.7168-175.40000108.5K121 M122 V160K121-V179 HydrophobicContact CB-CG1 4.03Å; K121-V179 HydrophobicContact CG-CG1 4.46Å; M122-V179 WeakPolarHBondContact O-CA 3.42Å; V160-V179 HydrophobicContact CG2-CB 3.76Å; V160-V179 HydrophobicContact CG2-CG1 4.35Å; V160-V179 PolarHBondContact N-O 3.04Å; V160-V179 PolarHBondContact O-N 2.87Å
180V96.6Very high93.6Very high0 Ų044.7 Ų44.70%024%0.239CC..EExtended strand (participates in β ladder)trans-79.8129.8168.7176.40000108.4L116 K121 M122 V124 L157 D158 L159 T182 I190 I217L116-V180 HydrophobicContact CD1-CG1 4.27Å; K121-V180 CarbonylContact C-O 3.53Å; K121-V180 VanDerWaalsContact CA-O 3.24Å; K121-V180 WeakPolarHBondContact CA-O 3.36Å; M122-V180 HydrophobicContact CB-CB 4.44Å; M122-V180 HydrophobicContact CE-CG2 4.27Å; M122-V180 PolarHBondContact N-O 3.04Å; M122-V180 PolarHBondContact O-N 3.05Å; V124-V180 HydrophobicContact CG1-CG2 3.66Å; V124-V180 HydrophobicContact CG2-CG2 4Å; L157-V180 HydrophobicContact CB-CG1 4.36Å; L157-V180 HydrophobicContact CD1-CG1 4.22Å; L157-V180 HydrophobicContact CD2-CG1 3.81Å; L157-V180 HydrophobicContact CG-CG1 4.37Å; D158-V180 WeakPolarHBondContact O-CA 3.29Å; L159-V180 HydrophobicContact CD2-CG2 3.71Å; V180-T182 HydrophobicContact CG1-CG2 4.4Å; V180-I190 HydrophobicContact CG2-CD1 3.5Å; V180-I217 HydrophobicContact CG1-CD1 4.22Å; V180-I217 HydrophobicContact CG2-CD1 4.21Å
181H96.2Very high94.2Very high68 Ų6845.7 Ų45.732%0.31524%0.241SC..EExtended strand (participates in β ladder)trans-123.4108.9173.9-177.1-166.5000109.9L157 D158L157-H181 CarbonylContact C-O 3.48Å; L157-H181 VanDerWaalsContact CA-O 3.22Å; L157-H181 WeakPolarHBondContact CA-O 3.37Å; L157-H181 WeakPolarHBondContact CB-O 3.39Å; D158-H181 HydrophobicContact CB-CB 4.41Å; D158-H181 PolarHBondContact N-O 3.37Å; D158-H181 PolarHBondContact O-N 2.83Å
182T97.1Very high94.5Very high2 Ų242.4 Ų42.41%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-80136.4-175.757.90000112.4L116 I117 A119 T120 V180 V219L116-T182 HydrophobicContact CB-CG2 3.83Å; L116-T182 HydrophobicContact CD1-CG2 3.83Å; L116-T182 HydrophobicContact CG-CG2 4.5Å; I117-T182 PolarHBondContact O-OG1 2.76Å; A119-T182 WeakPolarHBondContact CA-O 3.31Å; A119-T182 PolarHBondContact N-O 2.7Å; A119-T182 PolarHBondContact N-OG1 2.87Å; A119-T182 VanDerWaalsContact N-OG1 3.13Å; T120-T182 PolarHBondContact N-OG1 3.49Å; T120-T182 PolarHBondContact O-N 3.24Å; T120-T182 PolarHBondContact O-OG1 3.04Å; V180-T182 HydrophobicContact CG1-CG2 4.4Å; T182-V219 HydrophobicContact CG2-CG1 4.1Å; T182-V219 HydrophobicContact CG2-CG2 3.69Å
183K95.1Very high94.9Very high104 Ų10440.3 Ų40.345%0.45221%0.207SC..  trans-112.1-62.7-177.5-73175.2165.6168.20113T118 D155 V156 D158T118-K183 WeakPolarHBondContact CG2-O 3.46Å; D155-K183 WeakPolarHBondContact O-CB 3Å; V156-K183 PolarHBondContact O-N 3.11Å; D158-K183 WeakPolarHBondContact OD1-CE 3.4Å; D158-K183 IonicContact OD1-NZ 3.9Å; D158-K183 PolarHBondContact OD1-NZ 2.77Å; D158-K183 WeakPolarHBondContact OD2-CE 3.21Å; D158-K183 IonicContact OD2-NZ 3.56Å; D158-K183 PolarHBondContact OD2-NZ 3.08Å
184A95.9Very high95.3Very high44 Ų4437.4 Ų37.436%0.36419%0.194SC..SBendtrans-128.3158.8-172.900000111.3D155 V156 V219D155-A184 VanDerWaalsContact O-CB 3.31Å; D155-A184 WeakPolarHBondContact O-CB 3.39Å; V156-A184 WeakPolarHBondContact CG1-O 3.4Å; V156-A184 PolarHBondContact O-N 2.82Å; A184-V219 WeakPolarHBondContact O-CB 3.48Å; A184-V219 VanDerWaalsContact O-CG1 3.27Å; A184-V219 WeakPolarHBondContact O-CG1 3.46Å
185A94.5Very high95.6Very high49 Ų4936 Ų3641%0.40519%0.187SC..SBendtrans-65.4136.5176.800000111.4V219 E221A185-V219 CarbonylContact C-O 3.53Å; A185-V219 WeakPolarHBondContact CA-O 3.24Å; A185-E221 HydrophobicContact CB-CG 3.86Å
186G94.6Very high95.7Very high23 Ų2335.4 Ų35.424%0.23718%0.184CC..EExtended strand (participates in β ladder)trans159.5168.1179.100000113.6V156 V219V156-G186 WeakPolarHBondContact CG1-O 3.47Å; G186-V219 PolarHBondContact N-O 2.83Å; G186-V219 PolarHBondContact O-N 2.92Å
187R95.8Very high95.2Very high177 Ų17738.4 Ų38.467%0.66820%0.2SC*.EExtended strand (participates in β ladder)trans-96.7132169.7-70.2-179.2178.7150.80.7110.1K153 L218K153-R187 WeakPolarHBondContact CD-O 3.47Å; K153-R187 PolarHBondContact NZ-O 2.85Å; R187-L218 HydrophobicContact CG-CB 4.43Å; R187-L218 HydrophobicContact CG-CD1 3.47Å; R187-L218 VanDerWaalsContact CG-CD1 3.47Å
188T96.6Very high94.7Very high5 Ų540.7 Ų40.73%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-144.7156.6176.3-171.40000109.3S152 K153 V156 L157 I217S152-T188 VanDerWaalsContact OG-CA 3.31Å; S152-T188 WeakPolarHBondContact OG-CA 3.41Å; S152-T188 PolarHBondContact OG-OG1 2.91Å; K153-T188 PolarHBondContact N-OG1 2.82Å; K153-T188 PolarHBondContact O-OG1 3.22Å; V156-T188 HydrophobicContact CB-CG2 4.14Å; V156-T188 HydrophobicContact CG1-CG2 3.71Å; L157-T188 HydrophobicContact CD2-CG2 3.25Å; L157-T188 HydrophobicContact CG-CG2 3.63Å; T188-I217 PolarHBondContact N-O 2.96Å; T188-I217 PolarHBondContact O-N 3.39Å
189S97Very high94Very high14 Ų1442.6 Ų42.610%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-112.2153.4171.460.80000112M151 S152 E214 V215M151-S189 CarbonylContact C-O 3.59Å; M151-S189 VanDerWaalsContact CA-O 3.22Å; M151-S189 WeakPolarHBondContact CA-O 3.22Å; S152-S189 WeakPolarHBondContact CB-OG 3.33Å; S152-S189 PolarHBondContact N-O 2.81Å; S152-S189 PolarHBondContact OG-N 2.82Å; S189-E214 WeakPolarHBondContact CB-OE1 3.24Å; S189-E214 PolarHBondContact OG-OE1 3.07Å; S189-V215 CarbonylContact C-O 3.56Å; S189-V215 VanDerWaalsContact CA-O 3.31Å; S189-V215 WeakPolarHBondContact CA-O 3.47Å
190I97.4Very high93.4Very high2 Ų246.2 Ų46.21%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-117127.4170.6-63.1158.9000107I109 W149 S150 L157 L159 V180 E214 V215 I217I109-I190 HydrophobicContact CD1-CG2 4.25Å; I109-I190 VanDerWaalsContact CD1-O 3.29Å; I109-I190 WeakPolarHBondContact CD1-O 3.08Å; W149-I190 HydrophobicContact CE3-CG2 3.72Å; W149-I190 HydrophobicContact CZ3-CG2 3.87Å; S150-I190 WeakPolarHBondContact O-CA 3.45Å; L157-I190 HydrophobicContact CD1-CD1 4.35Å; L157-I190 HydrophobicContact CD1-CG1 4.29Å; L157-I190 HydrophobicContact CD2-CD1 4.39Å; L159-I190 HydrophobicContact CD1-CB 4.41Å; L159-I190 HydrophobicContact CD1-CG1 4.14Å; L159-I190 HydrophobicContact CD1-CG2 3.6Å; L159-I190 HydrophobicContact CD2-CD1 3.83Å; L159-I190 HydrophobicContact CD2-CG1 4.05Å; L159-I190 HydrophobicContact CD2-CG2 4.1Å; L159-I190 HydrophobicContact CG-CG1 4.37Å; L159-I190 HydrophobicContact CG-CG2 4.45Å; V180-I190 HydrophobicContact CG2-CD1 3.5Å; I190-E214 CarbonylContact O-C 3.41Å; I190-E214 VanDerWaalsContact O-CA 3.32Å; I190-E214 WeakPolarHBondContact O-CA 3.4Å; I190-V215 PolarHBondContact N-O 2.81Å; I190-V215 PolarHBondContact O-N 2.93Å; I190-I217 HydrophobicContact CD1-CD1 3.35Å; I190-I217 HydrophobicContact CD1-CG1 4.09Å
191K97.5Very high92.9Very high69 Ų6947 Ų4730%0.326%0.256SS..EExtended strand (participates in β ladder)trans-120.2135.9178175.5175.1179.3176.30110.3W149 S150 D213 E214W149-K191 WeakPolarHBondContact CA-O 3.41Å; S150-K191 PolarHBondContact N-O 3.1Å; S150-K191 PolarHBondContact O-N 2.9Å; S150-K191 PolarHBondContact OG-O 3.01Å; K191-D213 VanDerWaalsContact CA-O 3.3Å; K191-D213 WeakPolarHBondContact CA-O 3.2Å; K191-D213 WeakPolarHBondContact CG-O 3.39Å; K191-E214 HydrophobicContact CB-CB 4.11Å; K191-E214 HydrophobicContact CB-CG 4.06Å; K191-E214 HydrophobicContact CG-CB 4.34Å
192V97.1Very high92.5Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-114.4135.1169.771.30000109.2I109 V126 H148 W149 V194 S212 D213I109-V192 HydrophobicContact CD1-CB 4.18Å; I109-V192 HydrophobicContact CD1-CG1 3.88Å; I109-V192 HydrophobicContact CG1-CB 4.13Å; I109-V192 HydrophobicContact CG1-CG1 3.44Å; I109-V192 VanDerWaalsContact CG1-CG1 3.44Å; V126-V192 HydrophobicContact CG2-CB 4.43Å; V126-V192 HydrophobicContact CG2-CG1 4.06Å; V126-V192 HydrophobicContact CG2-CG2 3.81Å; H148-V192 CarbonylContact O-C 3.55Å; H148-V192 WeakPolarHBondContact O-CA 3.26Å; W149-V192 HydrophobicContact CD2-CB 3.96Å; W149-V192 HydrophobicContact CD2-CG2 3.75Å; W149-V192 HydrophobicContact CE3-CB 3.77Å; W149-V192 HydrophobicContact CE3-CG2 4.1Å; W149-V192 HydrophobicContact CG-CG2 4.28Å; W149-V192 HydrophobicContact CH2-CB 4.02Å; W149-V192 HydrophobicContact CH2-CG1 4.47Å; W149-V192 HydrophobicContact CH2-CG2 4.15Å; W149-V192 HydrophobicContact CZ2-CB 4.21Å; W149-V192 HydrophobicContact CZ2-CG2 3.82Å; W149-V192 HydrophobicContact CZ3-CB 3.8Å; W149-V192 HydrophobicContact CZ3-CG1 4.48Å; W149-V192 HydrophobicContact CZ3-CG2 4.28Å; V192-V194 HydrophobicContact CG2-CG2 4.26Å; V192-S212 WeakPolarHBondContact O-CA 3.45Å; V192-S212 VanDerWaalsContact O-CB 3.27Å; V192-S212 WeakPolarHBondContact O-CB 3.38Å; V192-D213 HydrophobicContact CG1-CB 4.49Å; V192-D213 PolarHBondContact N-O 3.17Å; V192-D213 PolarHBondContact O-N 3.35Å
193T96.8Very high92.3Very high17 Ų1744.4 Ų44.410%0.10425%0.248CC..EExtended strand (participates in β ladder)trans-118.3124.4171.2-70.30000108.1H148 H195 E210H148-T193 PolarHBondContact N-O 2.82Å; H148-T193 PolarHBondContact O-N 3.02Å; T193-H195 VanDerWaalsContact CG2-NE2 3.31Å; T193-H195 WeakPolarHBondContact CG2-NE2 3.33Å; T193-E210 HydrophobicContact CG2-CG 3.38Å; T193-E210 WeakPolarHBondContact CG2-OE1 3.29Å
194V96.1Very high92.2Very high1 Ų139.6 Ų39.61%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-110.6118.4-179.7-170.70000108.8V107 V126 L145 T146 F147 V192 F204 E210 L211V107-V194 HydrophobicContact CB-CG2 4.42Å; V107-V194 HydrophobicContact CG1-CB 4.32Å; V107-V194 HydrophobicContact CG1-CG2 4Å; V107-V194 HydrophobicContact CG2-CG2 4.15Å; V126-V194 HydrophobicContact CG1-CG2 4.32Å; L145-V194 HydrophobicContact CB-CG1 3.97Å; L145-V194 HydrophobicContact CD1-CG1 4.14Å; L145-V194 HydrophobicContact CG-CG1 4.49Å; T146-V194 VanDerWaalsContact O-CA 3.28Å; T146-V194 WeakPolarHBondContact O-CA 3.44Å; F147-V194 HydrophobicContact CD1-CB 4.47Å; F147-V194 HydrophobicContact CD1-CG1 4.04Å; F147-V194 HydrophobicContact CD1-CG2 3.69Å; F147-V194 HydrophobicContact CE1-CG1 3.76Å; F147-V194 HydrophobicContact CE1-CG2 3.9Å; F147-V194 HydrophobicContact CZ-CG1 4.28Å; V192-V194 HydrophobicContact CG2-CG2 4.26Å; V194-F204 HydrophobicContact CB-CZ 4.48Å; V194-F204 HydrophobicContact CG1-CZ 4.06Å; V194-E210 WeakPolarHBondContact O-CA 3.28Å; V194-L211 PolarHBondContact N-O 2.8Å; V194-L211 PolarHBondContact O-N 2.82Å
195H94.6Very high92Very high62 Ų6240.8 Ų40.829%0.28723%0.226SC..EExtended strand (participates in β ladder)trans-103.1142.2177.6-60.7-77.1000111.5L145 T146 H148 T193 L209 E210L145-H195 CarbonylContact C-O 3.6Å; L145-H195 VanDerWaalsContact CA-O 3.3Å; L145-H195 WeakPolarHBondContact CA-O 3.17Å; T146-H195 PolarHBondContact N-O 3.13Å; T146-H195 PolarHBondContact O-N 2.85Å; H148-H195 AromaticContact CD2-CD2 3.55Å; H148-H195 AromaticContact NE2-CD2 3.99Å; T193-H195 VanDerWaalsContact CG2-NE2 3.31Å; T193-H195 WeakPolarHBondContact CG2-NE2 3.33Å; H195-L209 WeakPolarHBondContact CA-O 3.22Å; H195-E210 IonicContact CE1-OE2 2.93Å; H195-E210 PolarHBondContact CE1-OE2 2.72Å; H195-E210 IonicContact ND1-OE2 2.68Å
196C91.3Very high91.6Very high8 Ų841.5 Ų41.55%0.05424%0.238CC..EExtended strand (participates in β ladder)trans-93.8126.2168.8179.30000108.9L145 N198 Q203 F204 L209L145-C196 HydrophobicContact CD2-CB 4.11Å; C196-N198 PolarHBondContact O-N 2.86Å; C196-N198 VanDerWaalsContact SG-C 3.55Å; C196-N198 PolarHBondContact SG-O 3.23Å; C196-Q203 PolarHBondContact SG-OE1 3.36Å; C196-F204 HydrophobicContact CB-CD2 3.81Å; C196-F204 HydrophobicContact CB-CE1 4.49Å; C196-F204 HydrophobicContact CB-CE2 3.57Å; C196-F204 HydrophobicContact CB-CG 4.38Å; C196-F204 HydrophobicContact CB-CZ 3.94Å; C196-L209 PolarHBondContact N-O 2.85Å
197M84.3Confident91Very high116 Ų11646 Ų4657%0.57126%0.256SS*.SBendtrans-65.6-27.4178.7-76.7-164.517500113.1P143 G144 T146 E173P143-M197 HydrophobicContact CB-CB 4.23Å; G144-M197 WeakPolarHBondContact O-CG 3.33Å; T146-M197 HydrophobicContact CG2-CE 3.75Å; E173-M197 HydrophobicContact CG-CE 4.4Å
198N84.4Confident90.6Very high63 Ų6341.6 Ų41.634%0.33725%0.246SC..  trans-145.6109.1-176.4-175.70.9000111.5P143 C196 S200 S201P143-N198 HydrophobicContact CB-CB 4.49Å; P143-N198 HydrophobicContact CG-CB 4.32Å; C196-N198 PolarHBondContact O-N 2.86Å; C196-N198 VanDerWaalsContact SG-C 3.55Å; C196-N198 PolarHBondContact SG-O 3.23Å; N198-S200 PolarHBondContact ND2-OG 3.32Å; N198-S200 PolarHBondContact O-N 2.95Å; N198-S200 VanDerWaalsContact O-N 3.13Å; N198-S200 WeakPolarHBondContact OD1-CB 2.81Å; N198-S200 PolarHBondContact OD1-N 2.68Å; N198-S200 PolarHBondContact OD1-OG 2.86Å; N198-S201 VanDerWaalsContact O-CB 3.3Å; N198-S201 WeakPolarHBondContact O-CB 3.02Å; N198-S201 PolarHBondContact O-N 3.44Å; N198-S201 PolarHBondContact O-OG 3.48Å
199S80.4Confident90.3Very high51 Ų5146.1 Ų46.136%0.35727%0.269SS..G310 helixtrans-58.1-27.9178.2540000113.3S201 G202S199-S201 PolarHBondContact O-N 3.34Å; S199-G202 PolarHBondContact O-N 2.9Å
200S83.3Confident90.2Very high95 Ų9549.7 Ų49.766%0.66428%0.284SS*.G310 helixtrans-72.5-11.5177.468.30000114.1N198 G202N198-S200 PolarHBondContact ND2-OG 3.32Å; N198-S200 PolarHBondContact O-N 2.95Å; N198-S200 VanDerWaalsContact O-N 3.13Å; N198-S200 WeakPolarHBondContact OD1-CB 2.81Å; N198-S200 PolarHBondContact OD1-N 2.68Å; N198-S200 PolarHBondContact OD1-OG 2.86Å; S200-G202 PolarHBondContact O-N 3.02Å
201S85Confident90.2Very high16 Ų1650.3 Ų50.311%0.11229%0.287CS..G310 helixtrans-74.3-7.8174.7-58.90000113.2P29 N198 S199 Q203P29-S201 WeakPolarHBondContact CB-O 3.4Å; N198-S201 VanDerWaalsContact O-CB 3.3Å; N198-S201 WeakPolarHBondContact O-CB 3.02Å; N198-S201 PolarHBondContact O-N 3.44Å; N198-S201 PolarHBondContact O-OG 3.48Å; S199-S201 PolarHBondContact O-N 3.34Å; S201-Q203 PolarHBondContact O-N 2.87Å
202G88.1Confident90.2Very high15 Ų1549.7 Ų49.716%0.15529%0.292CS..  trans62.229173.400000113.5P29 Q103 S199 S200P29-G202 WeakPolarHBondContact CG-O 3.32Å; Q103-G202 WeakPolarHBondContact CG-O 3.28Å; Q103-G202 PolarHBondContact NE2-O 3.38Å; S199-G202 PolarHBondContact O-N 2.9Å; S200-G202 PolarHBondContact O-N 3.02Å
203Q92.4Very high90.2Very high1 Ų151.9 Ų51.91%0.00530%0.304CS..  trans-77.7-35.6-178.5-69.8175.5-38.400112.4I28 P29 L104 P143 L145 C196 S201I28-Q203 HydrophobicContact CD1-CB 4.08Å; I28-Q203 HydrophobicContact CD1-CG 3.98Å; P29-Q203 WeakPolarHBondContact O-CG 3.26Å; P29-Q203 PolarHBondContact O-NE2 2.9Å; L104-Q203 PolarHBondContact N-O 3.05Å; P143-Q203 PolarHBondContact O-NE2 3.45Å; L145-Q203 HydrophobicContact CD2-CB 4.44Å; C196-Q203 PolarHBondContact SG-OE1 3.36Å; S201-Q203 PolarHBondContact O-N 2.87Å
204F94.1Very high90.2Very high4 Ų456 Ų562%0.01832%0.322CS..BIsolated β-bridgetrans-105148.3176.8-62.5-11.9000110.8L104 L145 V194 C196 L208 L211L104-F204 HydrophobicContact CB-CD1 3.98Å; L104-F204 HydrophobicContact CB-CE1 4.39Å; L104-F204 HydrophobicContact CD1-CD1 4.34Å; L104-F204 HydrophobicContact CD1-CE1 4.02Å; L104-F204 WeakPolarHBondContact O-CA 3.04Å; L145-F204 HydrophobicContact CD1-CE1 4.19Å; L145-F204 HydrophobicContact CD2-CE1 3.68Å; L145-F204 HydrophobicContact CD2-CZ 3.79Å; V194-F204 HydrophobicContact CB-CZ 4.48Å; V194-F204 HydrophobicContact CG1-CZ 4.06Å; C196-F204 HydrophobicContact CB-CD2 3.81Å; C196-F204 HydrophobicContact CB-CE1 4.49Å; C196-F204 HydrophobicContact CB-CE2 3.57Å; C196-F204 HydrophobicContact CB-CG 4.38Å; C196-F204 HydrophobicContact CB-CZ 3.94Å; F204-L208 HydrophobicContact CB-CB 4.24Å; F204-L208 HydrophobicContact CD2-CB 4.33Å; F204-L208 WeakPolarHBondContact CD2-O 3.48Å; F204-L211 HydrophobicContact CD1-CD1 3.7Å; F204-L211 HydrophobicContact CD1-CG 4.38Å; F204-L211 HydrophobicContact CD2-CD1 4.15Å; F204-L211 HydrophobicContact CD2-CG 3.93Å; F204-L211 HydrophobicContact CE1-CD1 3.82Å; F204-L211 HydrophobicContact CE1-CG 4.41Å; F204-L211 HydrophobicContact CE2-CD1 4.25Å; F204-L211 HydrophobicContact CE2-CG 3.96Å; F204-L211 HydrophobicContact CG-CD1 3.89Å; F204-L211 HydrophobicContact CG-CG 4.16Å; F204-L211 HydrophobicContact CZ-CD1 4.09Å; F204-L211 HydrophobicContact CZ-CG 4.2Å
205E91.1Very high90.3Very high69 Ų6957.2 Ų57.232%0.32233%0.329SS..G310 helixtrans-70.9141.4174.4-166.9176.2-164.900110.2Q103 L104 R105 N207 L208Q103-E205 HydrophobicContact CB-CB 4.13Å; L104-E205 PolarHBondContact O-N 3.39Å; R105-E205 VanDerWaalsContact CB-OE2 3.24Å; R105-E205 WeakPolarHBondContact CB-OE2 3.37Å; R105-E205 VanDerWaalsContact CG-OE2 3.26Å; R105-E205 WeakPolarHBondContact CG-OE2 3.44Å; R105-E205 IonicContact CZ-OE1 3.84Å; R105-E205 IonicContact CZ-OE2 2.87Å; R105-E205 IonicContact NE-OE1 3.72Å; R105-E205 IonicContact NE-OE2 3.44Å; R105-E205 PolarHBondContact NE-OE2 2.6Å; R105-E205 IonicContact NH2-OE1 3.71Å; R105-E205 PolarHBondContact NH2-OE1 3.49Å; R105-E205 IonicContact NH2-OE2 2.82Å; R105-E205 PolarHBondContact NH2-OE2 2.82Å; E205-N207 PolarHBondContact O-N 3.31Å; E205-L208 WeakPolarHBondContact O-CG 3.36Å
206G86.3Confident90.4Very high64 Ų6461.4 Ų61.466%0.6635%0.349SS*.G310 helixtrans7220.7175.400000115.8L208G206-L208 PolarHBondContact O-N 3.49Å
207N81.4Confident90.6Very high117 Ų11761.1 Ų61.163%0.62635%0.347SS*.G310 helixtrans57.628.1-179.2-61.3-24.4000114.1E205E205-N207 PolarHBondContact O-N 3.31Å
208L88.3Confident91.2Very high85 Ų8557.2 Ų57.245%0.44533%0.328SS..  trans-63.2148.6173.2-64.2173.1000110.5F204 E205 G206 L211F204-L208 HydrophobicContact CB-CB 4.24Å; F204-L208 HydrophobicContact CD2-CB 4.33Å; F204-L208 WeakPolarHBondContact CD2-O 3.48Å; E205-L208 WeakPolarHBondContact O-CG 3.36Å; G206-L208 PolarHBondContact O-N 3.49Å; L208-L211 HydrophobicContact CD1-CD2 3.83Å
209L90.2Very high91.8Very high100 Ų10054.3 Ų54.352%0.52431%0.312SS..SBendtrans-100.1-15.3174-70.7172.2000112.6H195 C196H195-L209 WeakPolarHBondContact CA-O 3.22Å; C196-L209 PolarHBondContact N-O 2.85Å
210E94.9Very high92.4Very high89 Ų8952.4 Ų52.442%0.41630%0.298SS..EExtended strand (participates in β ladder)trans-144.3136.9-173.2-173.9-178.615100110.8T193 V194 H195T193-E210 HydrophobicContact CG2-CG 3.38Å; T193-E210 WeakPolarHBondContact CG2-OE1 3.29Å; V194-E210 WeakPolarHBondContact O-CA 3.28Å; H195-E210 IonicContact CE1-OE2 2.93Å; H195-E210 PolarHBondContact CE1-OE2 2.72Å; H195-E210 IonicContact ND1-OE2 2.68Å
211L96.2Very high92.9Very high14 Ų1451.6 Ų51.67%0.07328%0.283CS..EExtended strand (participates in β ladder)trans-124.7143.8164.7-62.2175000108.4L104 V107 V194 F204 L208L104-L211 HydrophobicContact CB-CD1 3.9Å; V107-L211 HydrophobicContact CB-CB 4.48Å; V107-L211 HydrophobicContact CG1-CB 3.96Å; V107-L211 HydrophobicContact CG1-CD1 4.06Å; V107-L211 HydrophobicContact CG2-CB 3.91Å; V194-L211 PolarHBondContact N-O 2.8Å; V194-L211 PolarHBondContact O-N 2.82Å; F204-L211 HydrophobicContact CD1-CD1 3.7Å; F204-L211 HydrophobicContact CD1-CG 4.38Å; F204-L211 HydrophobicContact CD2-CD1 4.15Å; F204-L211 HydrophobicContact CD2-CG 3.93Å; F204-L211 HydrophobicContact CE1-CD1 3.82Å; F204-L211 HydrophobicContact CE1-CG 4.41Å; F204-L211 HydrophobicContact CE2-CD1 4.25Å; F204-L211 HydrophobicContact CE2-CG 3.96Å; F204-L211 HydrophobicContact CG-CD1 3.89Å; F204-L211 HydrophobicContact CG-CG 4.16Å; F204-L211 HydrophobicContact CZ-CD1 4.09Å; F204-L211 HydrophobicContact CZ-CG 4.2Å; L208-L211 HydrophobicContact CD1-CD2 3.83Å
212S97.4Very high93.2Very high57 Ų5756.2 Ų56.240%0.39930%0.302SS..EExtended strand (participates in β ladder)trans-141.7156177.167.50000112.5V192V192-S212 WeakPolarHBondContact O-CA 3.45Å; V192-S212 VanDerWaalsContact O-CB 3.27Å; V192-S212 WeakPolarHBondContact O-CB 3.38Å
213D97.6Very high93.3Very high45 Ų4556 Ų5624%0.24130%0.297CS..EExtended strand (participates in β ladder)trans-144.6153.8172.2-174.338.8000110.6V107 R108 I109 K191 V192V107-D213 HydrophobicContact CG2-CB 4.34Å; V107-D213 WeakPolarHBondContact O-CB 3.47Å; R108-D213 WeakPolarHBondContact CA-OD2 3.32Å; I109-D213 WeakPolarHBondContact CD1-O 3.36Å; I109-D213 HydrophobicContact CG1-CB 4.33Å; I109-D213 PolarHBondContact N-OD2 3.35Å; K191-D213 VanDerWaalsContact CA-O 3.3Å; K191-D213 WeakPolarHBondContact CA-O 3.2Å; K191-D213 WeakPolarHBondContact CG-O 3.39Å; V192-D213 HydrophobicContact CG1-CB 4.49Å; V192-D213 PolarHBondContact N-O 3.17Å; V192-D213 PolarHBondContact O-N 3.35Å
214E97.5Very high93.1Very high104 Ų10459.4 Ų59.449%0.48631%0.313SS..EExtended strand (participates in β ladder)trans-139.5127.3-177.6-175.8172-176.200111.4S189 I190 K191S189-E214 WeakPolarHBondContact CB-OE1 3.24Å; S189-E214 PolarHBondContact OG-OE1 3.07Å; I190-E214 CarbonylContact O-C 3.41Å; I190-E214 VanDerWaalsContact O-CA 3.32Å; I190-E214 WeakPolarHBondContact O-CA 3.4Å; K191-E214 HydrophobicContact CB-CB 4.11Å; K191-E214 HydrophobicContact CB-CG 4.06Å; K191-E214 HydrophobicContact CG-CB 4.34Å
215V96.9Very high92.7Very high27 Ų2760.6 Ų60.616%0.16432%0.319CS..EExtended strand (participates in β ladder)trans-117.9131.4178.7172.60000109.9I109 A111 T114 S189 I190I109-V215 HydrophobicContact CB-CG2 3.83Å; I109-V215 HydrophobicContact CD1-CG2 4.41Å; I109-V215 HydrophobicContact CG2-CG2 4.33Å; A111-V215 HydrophobicContact CB-CG1 4.36Å; T114-V215 HydrophobicContact CG2-CG1 3.86Å; S189-V215 CarbonylContact C-O 3.56Å; S189-V215 VanDerWaalsContact CA-O 3.31Å; S189-V215 WeakPolarHBondContact CA-O 3.47Å; I190-V215 PolarHBondContact N-O 2.81Å; I190-V215 PolarHBondContact O-N 2.93Å
216Q97Very high91.8Very high150 Ų15061.3 Ų61.370%0.70132%0.321SS*.EExtended strand (participates in β ladder)trans-85131.5173.3-66.6-172.3-11.600111
217I96.6Very high90.9Very high1 Ų160.6 Ų60.61%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-115.4127.9173.2-60-166.2000109.4T114 L116 M122 L157 V180 T188 I190 V219T114-I217 WeakPolarHBondContact O-CA 3.25Å; L116-I217 HydrophobicContact CD1-CD1 4.49Å; L116-I217 HydrophobicContact CD1-CG2 4.07Å; L116-I217 HydrophobicContact CG-CG2 4.44Å; M122-I217 HydrophobicContact CE-CD1 4.07Å; L157-I217 HydrophobicContact CD2-CB 4.2Å; L157-I217 HydrophobicContact CD2-CD1 4.34Å; L157-I217 HydrophobicContact CD2-CG2 4.15Å; V180-I217 HydrophobicContact CG1-CD1 4.22Å; V180-I217 HydrophobicContact CG2-CD1 4.21Å; T188-I217 PolarHBondContact N-O 2.96Å; T188-I217 PolarHBondContact O-N 3.39Å; I190-I217 HydrophobicContact CD1-CD1 3.35Å; I190-I217 HydrophobicContact CD1-CG1 4.09Å; I217-V219 HydrophobicContact CG2-CG2 4.06Å
218L95.8Very high89.8Confident34 Ų3460.2 Ų60.218%0.17830%0.303CS..EExtended strand (participates in β ladder)trans-96.7118167.8174.565.5000108.9T114 R115 L116 R187 F296T114-L218 PolarHBondContact O-N 2.9Å; R115-L218 CarbonylContact C-O 3.51Å; R115-L218 VanDerWaalsContact CA-O 3.32Å; R115-L218 WeakPolarHBondContact CA-O 3.48Å; R115-L218 HydrophobicContact CG-CB 4.47Å; L116-L218 PolarHBondContact N-O 2.93Å; R187-L218 HydrophobicContact CG-CB 4.43Å; R187-L218 HydrophobicContact CG-CD1 3.47Å; R187-L218 VanDerWaalsContact CG-CD1 3.47Å; L218-F296 HydrophobicContact CD2-CD1 3.95Å; L218-F296 HydrophobicContact CD2-CE1 3.73Å; L218-F296 HydrophobicContact CD2-CZ 4.15Å
219V96.3Very high88.3Confident2 Ų261.6 Ų61.61%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-100.4133.1170.7-174.20000108.9L116 T118 V156 L157 T182 A184 A185 G186 I217L116-V219 CarbonylContact O-C 3.56Å; L116-V219 VanDerWaalsContact O-CA 3.24Å; L116-V219 WeakPolarHBondContact O-CA 3.35Å; T118-V219 HydrophobicContact CG2-CG1 3.84Å; V156-V219 HydrophobicContact CG1-CB 3.84Å; V156-V219 HydrophobicContact CG1-CG2 3.63Å; L157-V219 HydrophobicContact CD2-CG2 4.41Å; T182-V219 HydrophobicContact CG2-CG1 4.1Å; T182-V219 HydrophobicContact CG2-CG2 3.69Å; A184-V219 WeakPolarHBondContact O-CB 3.48Å; A184-V219 VanDerWaalsContact O-CG1 3.27Å; A184-V219 WeakPolarHBondContact O-CG1 3.46Å; A185-V219 CarbonylContact C-O 3.53Å; A185-V219 WeakPolarHBondContact CA-O 3.24Å; G186-V219 PolarHBondContact N-O 2.83Å; G186-V219 PolarHBondContact O-N 2.92Å; I217-V219 HydrophobicContact CG2-CG2 4.06Å
220F94.4Very high86.5Confident12 Ų1260.8 Ų60.85%0.05331%0.309CS..EExtended strand (participates in β ladder)trans-131.7160.5176.157.8-78.2000110.2R115 L116 I117 T118 E294 F296 V298 Q300R115-F220 HydrophobicContact CB-CE1 4.13Å; L116-F220 WeakPolarHBondContact O-CD1 3.42Å; L116-F220 WeakPolarHBondContact O-CE1 3.31Å; L116-F220 PolarHBondContact O-N 3.28Å; I117-F220 CarbonylContact C-O 3.57Å; I117-F220 VanDerWaalsContact CA-O 3.23Å; I117-F220 WeakPolarHBondContact CA-O 3.49Å; I117-F220 HydrophobicContact CG2-CD2 4.1Å; I117-F220 HydrophobicContact CG2-CE1 4.45Å; I117-F220 HydrophobicContact CG2-CE2 3.52Å; I117-F220 HydrophobicContact CG2-CZ 3.72Å; T118-F220 PolarHBondContact N-O 3.47Å; F220-E294 HydrophobicContact CD2-CG 4.1Å; F220-E294 HydrophobicContact CE2-CG 3.95Å; F220-F296 HydrophobicContact CB-CZ 4.49Å; F220-F296 HydrophobicContact CD1-CE2 4.26Å; F220-F296 AromaticContact CD1-CZ 3.67Å; F220-F296 HydrophobicContact CD1-CZ 3.67Å; F220-F296 HydrophobicContact CD2-CZ 4.15Å; F220-F296 AromaticContact CE1-CE2 3.95Å; F220-F296 HydrophobicContact CE1-CE2 3.95Å; F220-F296 AromaticContact CE1-CZ 3.82Å; F220-F296 HydrophobicContact CE1-CZ 3.82Å; F220-F296 HydrophobicContact CE2-CZ 4.26Å; F220-F296 AromaticContact CG-CZ 3.86Å; F220-F296 HydrophobicContact CG-CZ 3.86Å; F220-F296 HydrophobicContact CZ-CE2 4.1Å; F220-F296 HydrophobicContact CZ-CZ 4.12Å; F220-V298 HydrophobicContact CZ-CG1 4.14Å; F220-Q300 VanDerWaalsContact CD2-NE2 3.34Å; F220-Q300 HydrophobicContact CE2-CG 4.08Å; F220-Q300 VanDerWaalsContact CE2-NE2 3.26Å
221E93.3Very high85Confident77 Ų7761.4 Ų61.436%0.3631%0.312SS..PPolyproline II helixtrans-71140.8-175.3-59.5-168.4164.600111.8A185 L223 N248 Q300A185-E221 HydrophobicContact CB-CG 3.86Å; E221-L223 PolarHBondContact O-N 3.23Å; E221-N248 WeakPolarHBondContact CB-ND2 3.25Å; E221-N248 WeakPolarHBondContact OE2-CB 3.1Å; E221-N248 PolarHBondContact OE2-ND2 2.63Å; E221-Q300 PolarHBondContact O-NE2 3.11Å
222K92Very high83.5Confident114 Ų11462.4 Ų62.450%0.49632%0.319SS..PPolyproline II helixtrans-61.8132.4166.7-173.9176.9-179.2-179.10109.5I117 T118 Q224 N248I117-K222 HydrophobicContact CB-CB 4.36Å; I117-K222 HydrophobicContact CD1-CB 4.44Å; I117-K222 HydrophobicContact CD1-CD 4.26Å; I117-K222 HydrophobicContact CD1-CG 4.17Å; T118-K222 PolarHBondContact OG1-N 3.21Å; K222-Q224 PolarHBondContact O-N 2.86Å; K222-N248 PolarHBondContact O-ND2 3.49Å
223L90.6Very high82.5Confident11 Ų1169 Ų696%0.05834%0.343CS..PPolyproline II helixtrans-58.4125.2176.3176.462.7000110.6E221 T247 R249 V290 Q300 T302E221-L223 PolarHBondContact O-N 3.23Å; L223-T247 HydrophobicContact CD1-CG2 4.41Å; L223-R249 HydrophobicContact CB-CG 4.48Å; L223-R249 HydrophobicContact CD1-CB 4.2Å; L223-R249 HydrophobicContact CD1-CG 3.75Å; L223-V290 WeakPolarHBondContact CD2-O 3.49Å; L223-Q300 HydrophobicContact CB-CB 3.87Å; L223-Q300 HydrophobicContact CD2-CB 4.27Å; L223-Q300 WeakPolarHBondContact CD2-O 3.46Å; L223-T302 HydrophobicContact CD2-CG2 3.86Å; L223-T302 HydrophobicContact CG-CG2 4.15Å
224Q88.1Confident81.9Confident72 Ų7270.4 Ų70.434%0.33635%0.349SS..  trans-134.8141176.7-71.1-179-9.900110.1K222 F226 T247 N248K222-Q224 PolarHBondContact O-N 2.86Å; Q224-F226 HydrophobicContact CB-CE2 3.67Å; Q224-F226 HydrophobicContact CB-CZ 4.01Å; Q224-F226 WeakPolarHBondContact O-CD2 3.17Å; Q224-F226 WeakPolarHBondContact O-CE2 3.03Å; Q224-T247 WeakPolarHBondContact O-CA 3.28Å; Q224-N248 PolarHBondContact N-OD1 3.34Å; Q224-N248 PolarHBondContact O-N 2.7Å; Q224-N248 PolarHBondContact O-OD1 3.27Å
225L84.8Confident81.6Confident28 Ų2865.9 Ų65.915%0.14733%0.328CS..EExtended strand (participates in β ladder)trans-86.1124.4172.5-57.7178.3000108.3T247 V290 T302 T304L225-T247 HydrophobicContact CD2-CG2 3.81Å; L225-V290 HydrophobicContact CD1-CG2 4.17Å; L225-V290 HydrophobicContact CD2-CB 3.91Å; L225-V290 HydrophobicContact CD2-CG1 3.84Å; L225-V290 HydrophobicContact CD2-CG2 3.75Å; L225-T302 HydrophobicContact CD1-CG2 4.2Å; L225-T302 HydrophobicContact CD2-CG2 4.19Å; L225-T302 HydrophobicContact CG-CG2 4.01Å; L225-T304 HydrophobicContact CD1-CG2 3.53Å
226F73Confident81.3Confident85 Ų8564.9 Ų64.937%0.37332%0.322SS..EExtended strand (participates in β ladder)trans-100.4119.2174.6-68.1-91.3000108.5Q224 H246 N248Q224-F226 HydrophobicContact CB-CE2 3.67Å; Q224-F226 HydrophobicContact CB-CZ 4.01Å; Q224-F226 WeakPolarHBondContact O-CD2 3.17Å; Q224-F226 WeakPolarHBondContact O-CE2 3.03Å; F226-H246 HydrophobicContact CB-CB 4.33Å; F226-H246 PolarHBondContact N-O 3.1Å; F226-H246 PolarHBondContact O-N 3.42Å; F226-N248 HydrophobicContact CD2-CB 4.04Å; F226-N248 HydrophobicContact CE2-CB 3.19Å; F226-N248 HydrophobicContact CZ-CB 3.77Å
227Y66.3Low81.1Confident49 Ų4957.8 Ų57.819%0.19229%0.288CS..BIsolated β-bridgetrans-105.4136.1157.3174.1-99.2000108E229 C230 L243 H354Y227-E229 HydrophobicContact CD1-CB 4.29Å; Y227-E229 HydrophobicContact CE1-CB 3.87Å; Y227-E229 HydrophobicContact CE1-CG 4.31Å; Y227-E229 PolarHBondContact O-N 3.14Å; Y227-C230 WeakPolarHBondContact CB-O 3.34Å; Y227-C230 PolarHBondContact O-N 3.32Å; Y227-C230 VanDerWaalsContact O-N 3.15Å; Y227-C230 VanDerWaalsContact O-O 3.11Å; Y227-L243 HydrophobicContact CD2-CD1 4.02Å; Y227-L243 HydrophobicContact CE2-CD1 3.94Å; Y227-H354 HydrophobicContact CD1-CB 4.47Å; Y227-H354 AromaticContact CD1-CD2 3.55Å; Y227-H354 HydrophobicContact CD2-CB 4.08Å; Y227-H354 HydrophobicContact CE1-CB 4.11Å; Y227-H354 AromaticContact CE1-CD2 3.66Å; Y227-H354 HydrophobicContact CE2-CB 3.78Å; Y227-H354 WeakPolarHBondContact CE2-O 3.31Å; Y227-H354 HydrophobicContact CG-CB 4.45Å; Y227-H354 AromaticContact CG-CD2 3.96Å; Y227-H354 PolarHBondContact OH-O 2.92Å
228P59Low80.8Confident108 Ų10858 Ų5870%0.70129%0.29SS*.THydrogen-bonded Turntrans-52.6-11.4-171.98-25.7000117.4
229E56.9Low80.6Confident114 Ų11459.2 Ų59.253%0.53330%0.296SS..THydrogen-bonded Turntrans-127.1-4.9178-55.3-171.3158.400115.6Y227 K352Y227-E229 HydrophobicContact CD1-CB 4.29Å; Y227-E229 HydrophobicContact CE1-CB 3.87Å; Y227-E229 HydrophobicContact CE1-CG 4.31Å; Y227-E229 PolarHBondContact O-N 3.14Å; E229-K352 IonicContact OE2-NZ 2.86Å; E229-K352 PolarHBondContact OE2-NZ 2.6Å
230C52.8Low80.2Confident83 Ų8363.2 Ų63.256%0.56132%0.317SS*.BIsolated β-bridgetrans-172.9166.9174-137.20000113.1Y227 P232Y227-C230 WeakPolarHBondContact CB-O 3.34Å; Y227-C230 PolarHBondContact O-N 3.32Å; Y227-C230 VanDerWaalsContact O-N 3.15Å; Y227-C230 VanDerWaalsContact O-O 3.11Å; C230-P232 VanDerWaalsContact C-CD 3.47Å; C230-P232 WeakPolarHBondContact O-CD 3.1Å
231Q63.4Low80Confident102 Ų10262.9 Ų62.948%0.47732%0.316SS..  trans-94.289.5158-72.4-163.6-400108.1
232P64.6Low79.9Confident35 Ų3564.3 Ų64.323%0.22732%0.323CS..  trans-71.7142.9-179.931.8-36.6000110.4C230 Q234 I235 H354C230-P232 VanDerWaalsContact C-CD 3.47Å; C230-P232 WeakPolarHBondContact O-CD 3.1Å; P232-Q234 WeakPolarHBondContact CB-O 3.48Å; P232-Q234 PolarHBondContact O-N 3.24Å; P232-I235 HydrophobicContact CG-CG1 4.39Å; P232-H354 WeakPolarHBondContact CB-NE2 3.39Å
233E74.9Confident79.7Confident195 Ų19559.6 Ų59.691%0.91130%0.303SS*.SBendtrans-61.5-30.3167.2-65.6-177.6170.300110.8
234Q86.9Confident79.5Confident75 Ų7563 Ų6335%0.3532%0.317SS..EExtended strand (participates in β ladder)trans-143.3133.7179.5-171.6-178.51800111.9P232 L236 G305P232-Q234 WeakPolarHBondContact CB-O 3.48Å; P232-Q234 PolarHBondContact O-N 3.24Å; Q234-L236 PolarHBondContact O-N 3.13Å; Q234-G305 CarbonylContact C-O 3.54Å; Q234-G305 WeakPolarHBondContact CA-O 3.35Å; Q234-G305 VanDerWaalsContact CG-O 3.27Å; Q234-G305 WeakPolarHBondContact CG-O 3.33Å
235I89.8Confident79.4Confident9 Ų960.4 Ų60.45%0.04631%0.306CS..EExtended strand (participates in β ladder)trans-79.9118.1177-58.7174.2000109.4P232 M237 L243 L245 T304 G305 V306 Q307P232-I235 HydrophobicContact CG-CG1 4.39Å; I235-M237 HydrophobicContact CG2-CG 3.94Å; I235-M237 HydrophobicContact CG2-SD 4.39Å; I235-L243 HydrophobicContact CG2-CD2 3.47Å; I235-L243 VanDerWaalsContact CG2-CD2 3.47Å; I235-L245 HydrophobicContact CD1-CD2 3.58Å; I235-T304 HydrophobicContact CD1-CG2 3.84Å; I235-T304 HydrophobicContact CG1-CG2 4.4Å; I235-G305 PolarHBondContact N-O 2.82Å; I235-V306 HydrophobicContact CB-CG1 4.45Å; I235-V306 HydrophobicContact CB-CG2 4.25Å; I235-V306 HydrophobicContact CD1-CG2 4.36Å; I235-V306 HydrophobicContact CG2-CG1 4.38Å; I235-V306 CarbonylContact O-C 3.59Å; I235-V306 VanDerWaalsContact O-CA 3.28Å; I235-V306 WeakPolarHBondContact O-CA 3.41Å; I235-Q307 PolarHBondContact O-N 3.08Å
236L91.3Very high79.4Confident7 Ų762.9 Ų62.94%0.03732%0.316CS..EExtended strand (participates in β ladder)trans-103.5117.8176.1-172.466.7000110.9Q234 Q307 A309 N347 E351 F353 H354Q234-L236 PolarHBondContact O-N 3.13Å; L236-Q307 CarbonylContact C-O 3.5Å; L236-Q307 WeakPolarHBondContact CA-O 3.21Å; L236-Q307 HydrophobicContact CD1-CB 3.82Å; L236-Q307 HydrophobicContact CD1-CG 3.7Å; L236-A309 HydrophobicContact CD1-CB 4.28Å; L236-N347 HydrophobicContact CD2-CB 4.46Å; L236-E351 HydrophobicContact CD2-CB 3.78Å; L236-F353 HydrophobicContact CB-CD1 4.37Å; L236-F353 HydrophobicContact CD1-CD1 4.34Å; L236-F353 HydrophobicContact CD1-CE1 4.02Å; L236-F353 HydrophobicContact CD2-CD1 3.93Å; L236-F353 HydrophobicContact CD2-CE1 4.08Å; L236-F353 HydrophobicContact CD2-CG 4.18Å; L236-F353 HydrophobicContact CG-CD1 3.51Å; L236-F353 HydrophobicContact CG-CE1 3.67Å; L236-F353 HydrophobicContact CG-CG 4.21Å; L236-H354 PolarHBondContact N-ND1 2.81Å; L236-H354 PolarHBondContact O-N 3.28Å; L236-H354 PolarHBondContact O-ND1 3.17Å
237M92.3Very high80.2Confident0 Ų059.5 Ų59.50%030%0.303CS..EExtended strand (participates in β ladder)trans-120.2142.3-178.9-63.6178.965.700111.7I235 L243 L277 A279 V306 Q307 V308 A309 F353 T355I235-M237 HydrophobicContact CG2-CG 3.94Å; I235-M237 HydrophobicContact CG2-SD 4.39Å; M237-L243 HydrophobicContact CE-CB 3.64Å; M237-L243 HydrophobicContact CG-CD2 4.36Å; M237-L243 HydrophobicContact SD-CB 4.01Å; M237-L243 HydrophobicContact SD-CD2 4.29Å; M237-L277 HydrophobicContact CE-CB 4.05Å; M237-L277 HydrophobicContact SD-CB 3.98Å; M237-L277 HydrophobicContact SD-CD1 4.13Å; M237-A279 HydrophobicContact CB-CB 4.26Å; M237-A279 HydrophobicContact CE-CB 3.98Å; M237-V306 HydrophobicContact CG-CG1 4.37Å; M237-V306 HydrophobicContact SD-CG1 3.91Å; M237-Q307 PolarHBondContact N-O 2.83Å; M237-V308 HydrophobicContact CB-CG2 4.46Å; M237-V308 WeakPolarHBondContact O-CA 3.42Å; M237-A309 PolarHBondContact O-N 2.96Å; M237-F353 VanDerWaalsContact C-CE1 3.44Å; M237-F353 WeakPolarHBondContact O-CE1 3.34Å; M237-T355 HydrophobicContact CB-CG2 3.99Å; M237-T355 HydrophobicContact CE-CG2 3.94Å; M237-T355 HydrophobicContact CG-CG2 3.8Å
238P91.6Very high81.2Confident6 Ų658.7 Ų58.74%0.03930%0.301CS..EExtended strand (participates in β ladder)trans-69.3158.4167.7-20.932.2000112.9S241 A279 A309 V311 F353 T355 H356P238-S241 WeakPolarHBondContact CD-OG 3.25Å; P238-S241 WeakPolarHBondContact O-CB 3.33Å; P238-S241 PolarHBondContact O-N 3.25Å; P238-S241 PolarHBondContact O-OG 2.94Å; P238-A279 WeakPolarHBondContact O-CB 3.29Å; P238-A309 VanDerWaalsContact CA-O 3.28Å; P238-A309 WeakPolarHBondContact CA-O 3.17Å; P238-V311 HydrophobicContact CB-CG2 3.77Å; P238-V311 HydrophobicContact CG-CG2 3.89Å; P238-F353 HydrophobicContact CB-CD1 4.49Å; P238-F353 HydrophobicContact CB-CE1 4.46Å; P238-F353 VanDerWaalsContact CD-CD1 3.44Å; P238-F353 HydrophobicContact CG-CB 4.28Å; P238-F353 HydrophobicContact CG-CD1 3.71Å; P238-F353 HydrophobicContact CG-CE1 4.14Å; P238-F353 HydrophobicContact CG-CG 3.95Å; P238-T355 WeakPolarHBondContact CD-O 3.25Å; P238-T355 WeakPolarHBondContact CG-O 3.09Å; P238-H356 VanDerWaalsContact CG-CE1 3.44Å; P238-H356 WeakPolarHBondContact CG-CE1 3.34Å; P238-H356 WeakPolarHBondContact CG-ND1 3.32Å
239I90.6Very high82.7Confident60 Ų6054.6 Ų54.631%0.30827%0.272SS..THydrogen-bonded Turntrans-56.1145.216560172.8000111.4S241 G280 V308 A309I239-S241 PolarHBondContact O-N 2.89Å; I239-G280 CarbonylContact C-O 3.6Å; I239-G280 WeakPolarHBondContact CA-O 3.42Å; I239-G280 WeakPolarHBondContact CB-O 3.34Å; I239-V308 HydrophobicContact CB-CG1 4.44Å; I239-V308 HydrophobicContact CG2-CG1 3.73Å; I239-A309 PolarHBondContact N-O 2.9Å
240N88.8Confident83.9Confident86 Ų8653.9 Ų53.946%0.4627%0.269SS..THydrogen-bonded Turntrans55.531.3179.1-52.9-53.2000114.9A279 G280 S281 N357N240-A279 VanDerWaalsContact CA-O 3.29Å; N240-A279 WeakPolarHBondContact CA-O 3.18Å; N240-A279 PolarHBondContact N-O 3.03Å; N240-G280 PolarHBondContact N-O 3.18Å; N240-S281 WeakPolarHBondContact OD1-CA 3.32Å; N240-S281 PolarHBondContact OD1-N 3.23Å; N240-N357 PolarHBondContact O-ND2 2.81Å
241S89.9Confident85.5Confident4 Ų454.2 Ų54.23%0.02829%0.286CS..  trans-110.316817872.40000111.7P238 I239 A279 T355P238-S241 WeakPolarHBondContact CD-OG 3.25Å; P238-S241 WeakPolarHBondContact O-CB 3.33Å; P238-S241 PolarHBondContact O-N 3.25Å; P238-S241 PolarHBondContact O-OG 2.94Å; I239-S241 PolarHBondContact O-N 2.89Å; S241-A279 PolarHBondContact O-N 3.07Å; S241-T355 WeakPolarHBondContact OG-CG2 3.38Å
242Q89.9Confident86.6Confident108 Ų10851.5 Ų51.551%0.50528%0.281SS..EExtended strand (participates in β ladder)trans-132.8144.117663.7-173.710.600110.3L276 L277 K278 T355Q242-L276 HydrophobicContact CB-CD1 4.48Å; Q242-L277 CarbonylContact C-O 3.59Å; Q242-L277 WeakPolarHBondContact CA-O 3.41Å; Q242-K278 HydrophobicContact CB-CG 4.36Å; Q242-T355 PolarHBondContact O-OG1 2.65Å
243L87.6Confident87.8Confident14 Ų1450.5 Ų50.57%0.07328%0.276CS..EExtended strand (participates in β ladder)trans-137.1122.6178.7176.667.2000109Y227 I235 M237 L245 L277 T355Y227-L243 HydrophobicContact CD2-CD1 4.02Å; Y227-L243 HydrophobicContact CE2-CD1 3.94Å; I235-L243 HydrophobicContact CG2-CD2 3.47Å; I235-L243 VanDerWaalsContact CG2-CD2 3.47Å; M237-L243 HydrophobicContact CE-CB 3.64Å; M237-L243 HydrophobicContact CG-CD2 4.36Å; M237-L243 HydrophobicContact SD-CB 4.01Å; M237-L243 HydrophobicContact SD-CD2 4.29Å; L243-L245 HydrophobicContact CD2-CD2 4.13Å; L243-L277 PolarHBondContact N-O 2.82Å; L243-L277 PolarHBondContact O-N 2.87Å; L243-T355 HydrophobicContact CB-CG2 4.06Å
244K87.4Confident88.6Confident83 Ų8347.7 Ų47.736%0.36126%0.261SS..EExtended strand (participates in β ladder)trans-85.4120.7166.7-172.368169.6-176.50108.1E274 L276K244-E274 WeakPolarHBondContact CE-O 3.39Å; K244-E274 PolarHBondContact NZ-O 3.27Å; K244-E274 IonicContact NZ-OE2 2.59Å; K244-L276 HydrophobicContact CB-CD1 4.4Å; K244-L276 HydrophobicContact CD-CB 4.25Å; K244-L276 HydrophobicContact CD-CD1 4.46Å
245L85.1Confident88.8Confident17 Ų1745.9 Ų45.99%0.08926%0.255CS..  trans-76.3139.6173.8-60.9171.5000109.1I235 L243 G275 L277 L288I235-L245 HydrophobicContact CD1-CD2 3.58Å; L243-L245 HydrophobicContact CD2-CD2 4.13Å; L245-G275 WeakPolarHBondContact CB-O 3.05Å; L245-G275 WeakPolarHBondContact CG-O 3.27Å; L245-G275 PolarHBondContact N-O 3.01Å; L245-L277 HydrophobicContact CD1-CD1 3.89Å; L245-L277 HydrophobicContact CD1-CD2 4.19Å; L245-L277 HydrophobicContact CD1-CG 3.88Å; L245-L277 HydrophobicContact CD2-CD1 3.85Å; L245-L277 HydrophobicContact CD2-CG 4.45Å; L245-L277 HydrophobicContact CG-CD1 4Å; L245-L277 HydrophobicContact CG-CG 4.05Å; L245-L288 HydrophobicContact CD1-CD2 3.4Å; L245-L288 VanDerWaalsContact CD1-CD2 3.4Å
246H86.1Confident88.8Confident81 Ų8147.1 Ų47.138%0.37526%0.264SS..EExtended strand (participates in β ladder)trans-116.3149.6170.3-68.9-71.1000110.9F226 E250F226-H246 HydrophobicContact CB-CB 4.33Å; F226-H246 PolarHBondContact N-O 3.1Å; F226-H246 PolarHBondContact O-N 3.42Å; H246-E250 VanDerWaalsContact CA-OE1 3.25Å; H246-E250 WeakPolarHBondContact CA-OE1 3.45Å; H246-E250 IonicContact CG-OE1 3.22Å; H246-E250 IonicContact ND1-OE1 2.66Å; H246-E250 PolarHBondContact ND1-OE1 2.88Å; H246-E250 IonicContact ND1-OE2 3.72Å; H246-E250 PolarHBondContact ND1-OE2 3.32Å
247T88.2Confident88.7Confident13 Ų1347.5 Ų47.58%0.0827%0.267CS..EExtended strand (participates in β ladder)trans-133.1155175.680.30000111L223 Q224 L225 R249 E250 V255 V290L223-T247 HydrophobicContact CD1-CG2 4.41Å; Q224-T247 WeakPolarHBondContact O-CA 3.28Å; L225-T247 HydrophobicContact CD2-CG2 3.81Å; T247-R249 PolarHBondContact O-N 3.35Å; T247-R249 PolarHBondContact OG1-N 3.34Å; T247-E250 PolarHBondContact N-OE1 3.05Å; T247-E250 PolarHBondContact O-N 3.21Å; T247-E250 PolarHBondContact OG1-N 3.12Å; T247-V255 HydrophobicContact CG2-CG1 3.91Å; T247-V290 HydrophobicContact CG2-CG1 4.33Å
248N88.8Confident88.6Confident32 Ų3255.1 Ų55.117%0.17130%0.296CS..THydrogen-bonded Turntrans-68.9-11172.454.3-28.2000113.1E221 K222 Q224 F226E221-N248 WeakPolarHBondContact CB-ND2 3.25Å; E221-N248 WeakPolarHBondContact OE2-CB 3.1Å; E221-N248 PolarHBondContact OE2-ND2 2.63Å; K222-N248 PolarHBondContact O-ND2 3.49Å; Q224-N248 PolarHBondContact N-OD1 3.34Å; Q224-N248 PolarHBondContact O-N 2.7Å; Q224-N248 PolarHBondContact O-OD1 3.27Å; F226-N248 HydrophobicContact CD2-CB 4.04Å; F226-N248 HydrophobicContact CE2-CB 3.19Å; F226-N248 HydrophobicContact CZ-CB 3.77Å
249R89.4Confident88.6Confident23 Ų2356.5 Ų56.59%0.08731%0.305CS..THydrogen-bonded Turntrans-95.72-179.2-55.5-55.5-63.9139.23.3112.4L223 T247 G251 A252 A253 V255 E294L223-R249 HydrophobicContact CB-CG 4.48Å; L223-R249 HydrophobicContact CD1-CB 4.2Å; L223-R249 HydrophobicContact CD1-CG 3.75Å; T247-R249 PolarHBondContact O-N 3.35Å; T247-R249 PolarHBondContact OG1-N 3.34Å; R249-G251 PolarHBondContact O-N 2.66Å; R249-A252 PolarHBondContact O-N 2.86Å; R249-A252 VanDerWaalsContact O-N 3.11Å; R249-A253 HydrophobicContact CB-CB 4.14Å; R249-A253 PolarHBondContact O-N 2.83Å; R249-V255 HydrophobicContact CB-CG2 4.04Å; R249-E294 IonicContact CZ-OE1 3.82Å; R249-E294 IonicContact CZ-OE2 3.32Å; R249-E294 IonicContact NE-OE1 3.34Å; R249-E294 PolarHBondContact NE-OE1 3.15Å; R249-E294 IonicContact NE-OE2 2.68Å; R249-E294 VanDerWaalsContact NH2-CD 3.26Å; R249-E294 IonicContact NH2-OE1 2.7Å; R249-E294 PolarHBondContact NH2-OE1 3.46Å; R249-E294 VanDerWaalsContact NH2-OE1 3.12Å; R249-E294 IonicContact NH2-OE2 2.86Å; R249-E294 PolarHBondContact NH2-OE2 3.26Å
250E83.6Confident88.5Confident99 Ų9957.2 Ų57.246%0.46331%0.309SS..THydrogen-bonded Turntrans-57129.5172.3-77-178.8-169.500111.2H246 T247 A252H246-E250 VanDerWaalsContact CA-OE1 3.25Å; H246-E250 WeakPolarHBondContact CA-OE1 3.45Å; H246-E250 IonicContact CG-OE1 3.22Å; H246-E250 IonicContact ND1-OE1 2.66Å; H246-E250 PolarHBondContact ND1-OE1 2.88Å; H246-E250 IonicContact ND1-OE2 3.72Å; H246-E250 PolarHBondContact ND1-OE2 3.32Å; T247-E250 PolarHBondContact N-OE1 3.05Å; T247-E250 PolarHBondContact O-N 3.21Å; T247-E250 PolarHBondContact OG1-N 3.12Å; E250-A252 PolarHBondContact O-N 3.08Å; E250-A252 VanDerWaalsContact O-N 3.08Å
251G85.8Confident88.6Confident89 Ų8959.6 Ų59.692%0.91832%0.315SS*.THydrogen-bonded Turntrans76.6-22.9-176.500000115.2R249R249-G251 PolarHBondContact O-N 2.66Å
252A87.1Confident88.6Confident45 Ų4560.2 Ų60.237%0.37232%0.319SS..THydrogen-bonded Turntrans-93.8-27.5178.600000113.7R249 E250R249-A252 PolarHBondContact O-N 2.86Å; R249-A252 VanDerWaalsContact O-N 3.11Å; E250-A252 PolarHBondContact O-N 3.08Å; E250-A252 VanDerWaalsContact O-N 3.08Å
253A89.4Confident88.5Confident15 Ų1561.3 Ų61.312%0.12432%0.322CS..SBendtrans-142.9165178.600000110.6R249 V255 S292 I293R249-A253 HydrophobicContact CB-CB 4.14Å; R249-A253 PolarHBondContact O-N 2.83Å; A253-V255 PolarHBondContact O-N 3.17Å; A253-S292 VanDerWaalsContact CB-OG 3.26Å; A253-S292 WeakPolarHBondContact CB-OG 3.34Å; A253-I293 WeakPolarHBondContact CB-O 3.37Å
254F90.5Very high88.5Confident136 Ų13663.4 Ų63.460%0.59634%0.336SS*.EExtended strand (participates in β ladder)trans-80.3118.8171.2176.8-95.9000109S292 I293F254-S292 CarbonylContact O-C 3.56Å; F254-S292 WeakPolarHBondContact O-CA 3.23Å; F254-I293 HydrophobicContact CB-CB 4.4Å; F254-I293 HydrophobicContact CD1-CB 4.46Å; F254-I293 HydrophobicContact CD1-CD1 4.13Å; F254-I293 HydrophobicContact CD1-CG1 4.42Å; F254-I293 PolarHBondContact N-O 3.05Å; F254-I293 PolarHBondContact O-N 2.76Å
255V90.9Very high88.1Confident37 Ų3765.9 Ų65.922%0.22435%0.354CS..EExtended strand (participates in β ladder)trans-109.8131.4-178.7-177.20000108.9T247 R249 A253 V290 T291T247-V255 HydrophobicContact CG2-CG1 3.91Å; R249-V255 HydrophobicContact CB-CG2 4.04Å; A253-V255 PolarHBondContact O-N 3.17Å; V255-V290 HydrophobicContact CG1-CG1 3.83Å; V255-T291 WeakPolarHBondContact CA-O 3.32Å
256S90.5Very high87.9Confident35 Ų3568.3 Ų68.325%0.24537%0.372CS..EExtended strand (participates in β ladder)trans-131.7147.1173.457.10000109.4G273 T291S256-G273 WeakPolarHBondContact CA-O 3.31Å; S256-T291 PolarHBondContact N-O 2.88Å; S256-T291 PolarHBondContact O-N 3.11Å; S256-T291 PolarHBondContact OG-O 2.85Å
257S90.1Very high87.8Confident14 Ų1464.5 Ų64.510%0.09835%0.354CS..EExtended strand (participates in β ladder)trans-118.5159.5171.245.10000111.2E270 G273 G275 E289S257-E270 VanDerWaalsContact C-CD 3.4Å; S257-E270 VanDerWaalsContact C-OE2 3.24Å; S257-E270 VanDerWaalsContact CA-OE1 3.28Å; S257-E270 WeakPolarHBondContact CA-OE1 3.43Å; S257-E270 WeakPolarHBondContact CB-OE1 3.17Å; S257-E270 PolarHBondContact OG-OE1 3.41Å; S257-G273 PolarHBondContact N-O 2.95Å; S257-G275 WeakPolarHBondContact OG-CA 3.29Å; S257-G275 PolarHBondContact OG-N 3.05Å; S257-E289 CarbonylContact C-O 3.55Å; S257-E289 VanDerWaalsContact CA-O 3.24Å; S257-E289 WeakPolarHBondContact CA-O 3.45Å
258R90.4Very high87.7Confident161 Ų16164.2 Ų64.261%0.60835%0.353SS*.EExtended strand (participates in β ladder)trans-152.3129.6177.6-174.5178.9175.6-177.20.7111.4L260 E270 E289R258-L260 HydrophobicContact CG-CD2 4.45Å; R258-L260 PolarHBondContact O-N 3.29Å; R258-E270 WeakPolarHBondContact CA-OE2 3.24Å; R258-E270 PolarHBondContact N-OE2 3Å; R258-E289 PolarHBondContact N-O 3.13Å; R258-E289 PolarHBondContact O-N 3.37Å
259V90.7Very high87.5Confident35 Ų3567 Ų6721%0.21237%0.367CS..EExtended strand (participates in β ladder)trans-74.7115.7166-179.20000110.2C262 V268 E270 A286 L288V259-C262 HydrophobicContact CG1-CB 4Å; V259-V268 HydrophobicContact CG2-CG1 4.29Å; V259-E270 HydrophobicContact CG2-CB 3.83Å; V259-E270 PolarHBondContact N-OE2 2.9Å; V259-A286 HydrophobicContact CG1-CB 4.13Å; V259-L288 HydrophobicContact CG2-CD1 4.11Å
260L89.1Confident87.1Confident75 Ų7567.7 Ų67.739%0.39337%0.371SS..EExtended strand (participates in β ladder)trans-85.9-43-179.3-65.1-176.9000112.8R258 V287 E289R258-L260 HydrophobicContact CG-CD2 4.45Å; R258-L260 PolarHBondContact O-N 3.29Å; L260-V287 HydrophobicContact CB-CB 4.48Å; L260-V287 HydrophobicContact CB-CG1 4.44Å; L260-V287 HydrophobicContact CD1-CG1 4.38Å; L260-V287 PolarHBondContact N-O 3.31Å; L260-E289 HydrophobicContact CD1-CB 3.82Å; L260-E289 HydrophobicContact CD2-CB 4.14Å; L260-E289 HydrophobicContact CG-CB 3.79Å
261K89.1Confident86.7Confident136 Ų13666.3 Ų66.359%0.59136%0.364SS*.EExtended strand (participates in β ladder)trans-141143.4-179.5-69.6-175.9179.9178.40108.9F263 A286 V287K261-F263 HydrophobicContact CB-CE2 4.08Å; K261-F263 HydrophobicContact CD-CE2 4.39Å; K261-A286 CarbonylContact O-C 3.57Å; K261-A286 WeakPolarHBondContact O-CA 3Å; K261-A286 WeakPolarHBondContact O-CB 2.99Å; K261-V287 HydrophobicContact CB-CB 4.34Å; K261-V287 HydrophobicContact CB-CG2 4.27Å; K261-V287 PolarHBondContact O-N 2.92Å
262C90.7Very high85.9Confident16 Ų1668.9 Ų68.911%0.10836%0.357CS..EExtended strand (participates in β ladder)trans-148.4125.3-178.6179.40000108.6V259 P264 N265 S267 V268 T285 A286V259-C262 HydrophobicContact CG1-CB 4Å; C262-P264 PolarHBondContact SG-O 2.91Å; C262-N265 PolarHBondContact O-OD1 3.35Å; C262-S267 PolarHBondContact SG-N 3.33Å; C262-S267 PolarHBondContact SG-OG 3.43Å; C262-V268 PolarHBondContact SG-N 2.88Å; C262-T285 CarbonylContact C-O 3.58Å; C262-T285 WeakPolarHBondContact CA-O 2.85Å; C262-A286 HydrophobicContact CB-CB 4.22Å
263F88.3Confident85.2Confident132 Ų13267.9 Ų67.958%0.57935%0.352SS*.EExtended strand (participates in β ladder)trans-135123-179.1-66.4-77000110K261 G284 T285K261-F263 HydrophobicContact CB-CE2 4.08Å; K261-F263 HydrophobicContact CD-CE2 4.39Å; F263-G284 CarbonylContact O-C 3.54Å; F263-G284 WeakPolarHBondContact O-CA 3.42Å; F263-T285 PolarHBondContact N-O 2.94Å; F263-T285 PolarHBondContact O-N 2.83Å
264P88Confident84.6Confident57 Ų5773.9 Ų73.937%0.3738%0.377SS..SBendcis-62.9157.1-14.428.2-33.1000111.8C262 S266 S267 I282 A283C262-P264 PolarHBondContact SG-O 2.91Å; P264-S266 PolarHBondContact O-N 2.77Å; P264-S267 WeakPolarHBondContact O-CB 3.42Å; P264-S267 PolarHBondContact O-N 2.85Å; P264-S267 VanDerWaalsContact O-N 3.08Å; P264-S267 PolarHBondContact O-OG 2.77Å; P264-I282 HydrophobicContact CG-CB 4.36Å; P264-I282 HydrophobicContact CG-CG2 3.68Å; P264-A283 VanDerWaalsContact CD-O 3.27Å; P264-A283 WeakPolarHBondContact CD-O 3.42Å
265N79Confident84.1Confident135 Ų13567.7 Ų67.772%0.72235%0.351SS*.THydrogen-bonded Turntrans-52.3129.3174.1-70.3-18.9000108.8C262C262-N265 PolarHBondContact O-OD1 3.35Å
266S80.4Confident84Confident69 Ų6967.9 Ų67.948%0.48335%0.351SS..THydrogen-bonded Turntrans87.14.5-173.677.90000118.2P264P264-S266 PolarHBondContact O-N 2.77Å
267S83.2Confident84Confident0 Ų066.2 Ų66.20%034%0.339CS..SBendtrans-66.4-36.7173.966.60000112.8C262 P264 G280C262-S267 PolarHBondContact SG-N 3.33Å; C262-S267 PolarHBondContact SG-OG 3.43Å; P264-S267 WeakPolarHBondContact O-CB 3.42Å; P264-S267 PolarHBondContact O-N 2.85Å; P264-S267 VanDerWaalsContact O-N 3.08Å; P264-S267 PolarHBondContact O-OG 2.77Å; S267-G280 PolarHBondContact O-N 2.96Å
268V86.6Confident84Confident7 Ų768.9 Ų68.94%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-129.8128.3174-177.50000108.6V259 C262 L277 A286 V306 V308V259-V268 HydrophobicContact CG2-CG1 4.29Å; C262-V268 PolarHBondContact SG-N 2.88Å; V268-L277 HydrophobicContact CG1-CD2 4.43Å; V268-A286 HydrophobicContact CB-CB 3.78Å; V268-A286 HydrophobicContact CG1-CB 4.46Å; V268-A286 HydrophobicContact CG2-CB 3.71Å; V268-V306 HydrophobicContact CG1-CG1 4.38Å; V268-V306 HydrophobicContact CG2-CB 4.32Å; V268-V306 HydrophobicContact CG2-CG1 3.82Å; V268-V308 HydrophobicContact CG2-CG2 3.43Å; V268-V308 VanDerWaalsContact CG2-CG2 3.43Å
269I84.2Confident84Confident91 Ų9161.5 Ų61.547%0.46732%0.323SS..EExtended strand (participates in β ladder)trans-115.9133.3174.7-58.1171.4000106.7K278I269-K278 HydrophobicContact CB-CB 4.4Å; I269-K278 PolarHBondContact N-O 3.37Å; I269-K278 PolarHBondContact O-N 3.2Å
270E80.8Confident84Confident37 Ų3760.5 Ų60.517%0.17332%0.319CS..EExtended strand (participates in β ladder)trans-107130.9170.9-177.7-173.2170.400109.1S257 R258 V259 G273 L277S257-E270 VanDerWaalsContact C-CD 3.4Å; S257-E270 VanDerWaalsContact C-OE2 3.24Å; S257-E270 VanDerWaalsContact CA-OE1 3.28Å; S257-E270 WeakPolarHBondContact CA-OE1 3.43Å; S257-E270 WeakPolarHBondContact CB-OE1 3.17Å; S257-E270 PolarHBondContact OG-OE1 3.41Å; R258-E270 WeakPolarHBondContact CA-OE2 3.24Å; R258-E270 PolarHBondContact N-OE2 3Å; V259-E270 HydrophobicContact CG2-CB 3.83Å; V259-E270 PolarHBondContact N-OE2 2.9Å; E270-G273 WeakPolarHBondContact OE1-CA 3.23Å; E270-L277 HydrophobicContact CB-CD2 4.15Å; E270-L277 HydrophobicContact CG-CD2 4.14Å
271E76.9Confident83.9Confident70 Ų7060.9 Ų60.933%0.32733%0.328SS..EExtended strand (participates in β ladder)trans-101.2126-178.9-161168.4-13900109.8G273 L276 K278E271-G273 PolarHBondContact O-N 3.04Å; E271-L276 PolarHBondContact N-O 3.13Å; E271-L276 WeakPolarHBondContact OE2-CD2 3.38Å; E271-K278 IonicContact OE1-NZ 3.26Å; E271-K278 PolarHBondContact OE1-NZ 3.13Å; E271-K278 WeakPolarHBondContact OE2-CE 3.43Å; E271-K278 IonicContact OE2-NZ 3.51Å; E271-K278 PolarHBondContact OE2-NZ 2.75Å
272D69.2Low83.9Confident143 Ų14358.6 Ų58.677%0.76532%0.321SS*.THydrogen-bonded Turntrans59.611.6166.8-56.8-26.8000117.7E274D272-E274 PolarHBondContact O-N 3.21Å
273G71.8Confident84Confident25 Ų2560.1 Ų60.126%0.25834%0.335SS..THydrogen-bonded Turntrans68.51.8177.500000114.2S256 S257 E270 E271 G275S256-G273 WeakPolarHBondContact CA-O 3.31Å; S257-G273 PolarHBondContact N-O 2.95Å; E270-G273 WeakPolarHBondContact OE1-CA 3.23Å; E271-G273 PolarHBondContact O-N 3.04Å; G273-G275 PolarHBondContact O-N 2.83Å
274E76.5Confident84.2Confident141 Ų14154.5 Ų54.566%0.65931%0.314SS*.THydrogen-bonded Turntrans-86.414.7180-60.3-161.5161.800112.8K244 D272K244-E274 WeakPolarHBondContact CE-O 3.39Å; K244-E274 PolarHBondContact NZ-O 3.27Å; K244-E274 IonicContact NZ-OE2 2.59Å; D272-E274 PolarHBondContact O-N 3.21Å
275G79.9Confident84.5Confident5 Ų555 Ų555%0.05232%0.317CS..THydrogen-bonded Turntrans7719.6178.500000115.5L245 S257 G273L245-G275 WeakPolarHBondContact CB-O 3.05Å; L245-G275 WeakPolarHBondContact CG-O 3.27Å; L245-G275 PolarHBondContact N-O 3.01Å; S257-G275 WeakPolarHBondContact OG-CA 3.29Å; S257-G275 PolarHBondContact OG-N 3.05Å; G273-G275 PolarHBondContact O-N 2.83Å
276L88.7Confident85.1Confident42 Ų4248.9 Ų48.922%0.2229%0.285CS..EExtended strand (participates in β ladder)trans-89.4109.3168.3-176.962.2000110.1Q242 K244 E271Q242-L276 HydrophobicContact CB-CD1 4.48Å; K244-L276 HydrophobicContact CB-CD1 4.4Å; K244-L276 HydrophobicContact CD-CB 4.25Å; K244-L276 HydrophobicContact CD-CD1 4.46Å; E271-L276 PolarHBondContact N-O 3.13Å; E271-L276 WeakPolarHBondContact OE2-CD2 3.38Å
277L89.8Confident85.7Confident0 Ų048.1 Ų48.10%028%0.277CS..EExtended strand (participates in β ladder)trans-92.6132174.3-57.3-179000110.3M237 Q242 L243 L245 V268 E270 L288 V306M237-L277 HydrophobicContact CE-CB 4.05Å; M237-L277 HydrophobicContact SD-CB 3.98Å; M237-L277 HydrophobicContact SD-CD1 4.13Å; Q242-L277 CarbonylContact C-O 3.59Å; Q242-L277 WeakPolarHBondContact CA-O 3.41Å; L243-L277 PolarHBondContact N-O 2.82Å; L243-L277 PolarHBondContact O-N 2.87Å; L245-L277 HydrophobicContact CD1-CD1 3.89Å; L245-L277 HydrophobicContact CD1-CD2 4.19Å; L245-L277 HydrophobicContact CD1-CG 3.88Å; L245-L277 HydrophobicContact CD2-CD1 3.85Å; L245-L277 HydrophobicContact CD2-CG 4.45Å; L245-L277 HydrophobicContact CG-CD1 4Å; L245-L277 HydrophobicContact CG-CG 4.05Å; V268-L277 HydrophobicContact CG1-CD2 4.43Å; E270-L277 HydrophobicContact CB-CD2 4.15Å; E270-L277 HydrophobicContact CG-CD2 4.14Å; L277-L288 HydrophobicContact CD1-CD2 4.18Å; L277-L288 HydrophobicContact CD2-CD1 3.86Å; L277-L288 HydrophobicContact CD2-CD2 4.39Å; L277-V306 HydrophobicContact CD1-CG2 4.11Å
278K90.5Very high86.1Confident69 Ų6948.1 Ų48.130%0.328%0.277SS..EExtended strand (participates in β ladder)trans-115.6121.3171.4-73.3177.6172.2170.40109.1Q242 I269 E271Q242-K278 HydrophobicContact CB-CG 4.36Å; I269-K278 HydrophobicContact CB-CB 4.4Å; I269-K278 PolarHBondContact N-O 3.37Å; I269-K278 PolarHBondContact O-N 3.2Å; E271-K278 IonicContact OE1-NZ 3.26Å; E271-K278 PolarHBondContact OE1-NZ 3.13Å; E271-K278 WeakPolarHBondContact OE2-CE 3.43Å; E271-K278 IonicContact OE2-NZ 3.51Å; E271-K278 PolarHBondContact OE2-NZ 2.75Å
279A91.6Very high86.3Confident7 Ų750.2 Ų50.26%0.05829%0.286CS..EExtended strand (participates in β ladder)trans-83.1131.6172.400000109.9M237 P238 N240 S241 V308M237-A279 HydrophobicContact CB-CB 4.26Å; M237-A279 HydrophobicContact CE-CB 3.98Å; P238-A279 WeakPolarHBondContact O-CB 3.29Å; N240-A279 VanDerWaalsContact CA-O 3.29Å; N240-A279 WeakPolarHBondContact CA-O 3.18Å; N240-A279 PolarHBondContact N-O 3.03Å; S241-A279 PolarHBondContact O-N 3.07Å; A279-V308 HydrophobicContact CB-CG1 3.95Å; A279-V308 HydrophobicContact CB-CG2 3.79Å
280G88.9Confident86.6Confident13 Ų1346 Ų4613%0.13427%0.265CS..  trans-72.5-173.9176.400000113.2I239 N240 S267 I282I239-G280 CarbonylContact C-O 3.6Å; I239-G280 WeakPolarHBondContact CA-O 3.42Å; I239-G280 WeakPolarHBondContact CB-O 3.34Å; N240-G280 PolarHBondContact N-O 3.18Å; S267-G280 PolarHBondContact O-N 2.96Å; G280-I282 VanDerWaalsContact C-N 3.29Å
281S87.8Confident87.2Confident83 Ų8345.2 Ų45.258%0.5826%0.263SS*.SBendtrans-81.1-8.217956.10000113.9N240N240-S281 WeakPolarHBondContact OD1-CA 3.32Å; N240-S281 PolarHBondContact OD1-N 3.23Å
282I89.9Confident88Confident88 Ų8841.9 Ų41.945%0.45125%0.247SC..SBendtrans-114134.3-175.3-51.2174.2000109.1P264 G280P264-I282 HydrophobicContact CG-CB 4.36Å; P264-I282 HydrophobicContact CG-CG2 3.68Å; G280-I282 VanDerWaalsContact C-N 3.29Å
283A92.2Very high89.1Confident48 Ų4838.1 Ų38.140%0.39723%0.226SC..  trans-63.6144.7172.800000111.1P264 V308P264-A283 VanDerWaalsContact CD-O 3.27Å; P264-A283 WeakPolarHBondContact CD-O 3.42Å; A283-V308 CarbonylContact C-O 3.57Å; A283-V308 VanDerWaalsContact CA-O 3.23Å; A283-V308 WeakPolarHBondContact CA-O 3.43Å; A283-V308 WeakPolarHBondContact CB-O 3.28Å
284G93.1Very high90Very high14 Ų1437 Ų3714%0.14422%0.215CC..EExtended strand (participates in β ladder)trans-179.6-177.7-175.300000113.5F263 V308F263-G284 CarbonylContact O-C 3.54Å; F263-G284 WeakPolarHBondContact O-CA 3.42Å; G284-V308 PolarHBondContact N-O 3.01Å; G284-V308 PolarHBondContact O-N 3.35Å
285T93.1Very high90.7Very high68 Ų6835.6 Ų35.642%0.41722%0.217SC..EExtended strand (participates in β ladder)trans-127.3148.5175.756.90000110.2C262 F263 V306 Q307C262-T285 CarbonylContact C-O 3.58Å; C262-T285 WeakPolarHBondContact CA-O 2.85Å; F263-T285 PolarHBondContact N-O 2.94Å; F263-T285 PolarHBondContact O-N 2.83Å; T285-V306 CarbonylContact C-O 3.58Å; T285-V306 WeakPolarHBondContact CA-O 3.32Å; T285-Q307 HydrophobicContact CG2-CB 4.43Å; T285-Q307 HydrophobicContact CG2-CG 4.25Å
286A93.1Very high91.1Very high6 Ų637.8 Ų37.85%0.0523%0.226CC..EExtended strand (participates in β ladder)trans-139.2155.3175.100000110.7V259 K261 C262 V268 V306V259-A286 HydrophobicContact CG1-CB 4.13Å; K261-A286 CarbonylContact O-C 3.57Å; K261-A286 WeakPolarHBondContact O-CA 3Å; K261-A286 WeakPolarHBondContact O-CB 2.99Å; C262-A286 HydrophobicContact CB-CB 4.22Å; V268-A286 HydrophobicContact CB-CB 3.78Å; V268-A286 HydrophobicContact CG1-CB 4.46Å; V268-A286 HydrophobicContact CG2-CB 3.71Å; A286-V306 HydrophobicContact CB-CB 4.35Å; A286-V306 PolarHBondContact N-O 2.84Å; A286-V306 PolarHBondContact O-N 3.33Å
287V92.3Very high91.1Very high53 Ų5338.6 Ų38.632%0.32124%0.244SC..EExtended strand (participates in β ladder)trans-109.1118.6173.6179.90000107.1L260 K261 I303L260-V287 HydrophobicContact CB-CB 4.48Å; L260-V287 HydrophobicContact CB-CG1 4.44Å; L260-V287 HydrophobicContact CD1-CG1 4.38Å; L260-V287 PolarHBondContact N-O 3.31Å; K261-V287 HydrophobicContact CB-CB 4.34Å; K261-V287 HydrophobicContact CB-CG2 4.27Å; K261-V287 PolarHBondContact O-N 2.92Å; V287-I303 HydrophobicContact CG1-CG2 3.47Å; V287-I303 VanDerWaalsContact CG1-CG2 3.47Å
288L90.9Very high91.1Very high0 Ų041 Ų410%026%0.259CS..EExtended strand (participates in β ladder)trans-103.9125.9179.6-176.775.8000109.7L245 V259 L277 V290 I303 T304 V306L245-L288 HydrophobicContact CD1-CD2 3.4Å; L245-L288 VanDerWaalsContact CD1-CD2 3.4Å; V259-L288 HydrophobicContact CG2-CD1 4.11Å; L277-L288 HydrophobicContact CD1-CD2 4.18Å; L277-L288 HydrophobicContact CD2-CD1 3.86Å; L277-L288 HydrophobicContact CD2-CD2 4.39Å; L288-V290 HydrophobicContact CD2-CG2 3.78Å; L288-V290 HydrophobicContact CG-CG2 4Å; L288-I303 CarbonylContact O-C 3.54Å; L288-I303 WeakPolarHBondContact O-CA 3.01Å; L288-T304 HydrophobicContact CB-CG2 3.98Å; L288-T304 HydrophobicContact CD2-CG2 3.9Å; L288-T304 HydrophobicContact CG-CG2 4.43Å; L288-T304 PolarHBondContact N-O 2.97Å; L288-T304 PolarHBondContact O-N 3.3Å; L288-V306 HydrophobicContact CB-CG2 3.9Å; L288-V306 HydrophobicContact CD2-CG2 4.42Å
289E91.6Very high91.2Very high51 Ų5142.4 Ų42.424%0.23827%0.269CS..EExtended strand (participates in β ladder)trans-97.3132.2167.7-178.2178.1-114.200108.9S257 R258 L260 T301S257-E289 CarbonylContact C-O 3.55Å; S257-E289 VanDerWaalsContact CA-O 3.24Å; S257-E289 WeakPolarHBondContact CA-O 3.45Å; R258-E289 PolarHBondContact N-O 3.13Å; R258-E289 PolarHBondContact O-N 3.37Å; L260-E289 HydrophobicContact CD1-CB 3.82Å; L260-E289 HydrophobicContact CD2-CB 4.14Å; L260-E289 HydrophobicContact CG-CB 3.79Å; E289-T301 HydrophobicContact CG-CG2 3.45Å; E289-T301 VanDerWaalsContact CG-CG2 3.45Å
290V91.3Very high91.3Very high3 Ų343 Ų432%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-123.4120.9172.2-173.50000108.2L223 L225 T247 V255 L288 T301 T302L223-V290 WeakPolarHBondContact CD2-O 3.49Å; L225-V290 HydrophobicContact CD1-CG2 4.17Å; L225-V290 HydrophobicContact CD2-CB 3.91Å; L225-V290 HydrophobicContact CD2-CG1 3.84Å; L225-V290 HydrophobicContact CD2-CG2 3.75Å; T247-V290 HydrophobicContact CG2-CG1 4.33Å; V255-V290 HydrophobicContact CG1-CG1 3.83Å; L288-V290 HydrophobicContact CD2-CG2 3.78Å; L288-V290 HydrophobicContact CG-CG2 4Å; V290-T301 CarbonylContact O-C 3.44Å; V290-T301 WeakPolarHBondContact O-CA 3.32Å; V290-T302 HydrophobicContact CB-CG2 3.94Å; V290-T302 PolarHBondContact N-O 3.4Å; V290-T302 PolarHBondContact O-N 2.84Å
291T92.6Very high91.4Very high21 Ų2146 Ų4613%0.12929%0.287CS..EExtended strand (participates in β ladder)trans-117125.2-177.5-62.40000110.3V255 S256 I293 N299 Q300 T301V255-T291 WeakPolarHBondContact CA-O 3.32Å; S256-T291 PolarHBondContact N-O 2.88Å; S256-T291 PolarHBondContact O-N 3.11Å; S256-T291 PolarHBondContact OG-O 2.85Å; T291-I293 HydrophobicContact CG2-CG1 4.21Å; T291-N299 HydrophobicContact CG2-CB 4.34Å; T291-Q300 CarbonylContact C-O 3.52Å; T291-Q300 VanDerWaalsContact CA-O 3.32Å; T291-Q300 WeakPolarHBondContact CA-O 3.41Å; T291-T301 WeakPolarHBondContact OG1-CG2 3.36Å; T291-T301 PolarHBondContact OG1-OG1 3.31Å; T291-T301 VanDerWaalsContact OG1-OG1 3.08Å
292S92.8Very high91.6Very high0 Ų044.1 Ų44.10%027%0.272CS..EExtended strand (participates in β ladder)trans-104.5120.1171.5175.30000109.5A253 F254 N299 Q300A253-S292 VanDerWaalsContact CB-OG 3.26Å; A253-S292 WeakPolarHBondContact CB-OG 3.34Å; F254-S292 CarbonylContact O-C 3.56Å; F254-S292 WeakPolarHBondContact O-CA 3.23Å; S292-N299 CarbonylContact O-C 3.59Å; S292-N299 WeakPolarHBondContact O-CA 3.33Å; S292-Q300 PolarHBondContact N-O 3.08Å; S292-Q300 PolarHBondContact O-N 3.36Å
293I92.8Very high91.6Very high63 Ų6345 Ų4532%0.32328%0.276SS..EExtended strand (participates in β ladder)trans-100.7108.1176.1-55.5-178.7000107.8A253 F254 T291 N299A253-I293 WeakPolarHBondContact CB-O 3.37Å; F254-I293 HydrophobicContact CB-CB 4.4Å; F254-I293 HydrophobicContact CD1-CB 4.46Å; F254-I293 HydrophobicContact CD1-CD1 4.13Å; F254-I293 HydrophobicContact CD1-CG1 4.42Å; F254-I293 PolarHBondContact N-O 3.05Å; F254-I293 PolarHBondContact O-N 2.76Å; T291-I293 HydrophobicContact CG2-CG1 4.21Å; I293-N299 WeakPolarHBondContact CG2-OD1 3.46Å
294E91.6Very high91.5Very high3 Ų343.3 Ų43.31%0.01426%0.261CS..  trans-67.2147.7177.5-62.8-63.5161.600110.8F220 R249 F296 G297 V298 Q300F220-E294 HydrophobicContact CD2-CG 4.1Å; F220-E294 HydrophobicContact CE2-CG 3.95Å; R249-E294 IonicContact CZ-OE1 3.82Å; R249-E294 IonicContact CZ-OE2 3.32Å; R249-E294 IonicContact NE-OE1 3.34Å; R249-E294 PolarHBondContact NE-OE1 3.15Å; R249-E294 IonicContact NE-OE2 2.68Å; R249-E294 VanDerWaalsContact NH2-CD 3.26Å; R249-E294 IonicContact NH2-OE1 2.7Å; R249-E294 PolarHBondContact NH2-OE1 3.46Å; R249-E294 VanDerWaalsContact NH2-OE1 3.12Å; R249-E294 IonicContact NH2-OE2 2.86Å; R249-E294 PolarHBondContact NH2-OE2 3.26Å; E294-F296 HydrophobicContact CB-CD1 4.06Å; E294-F296 HydrophobicContact CB-CD2 3.85Å; E294-F296 HydrophobicContact CB-CE1 3.7Å; E294-F296 HydrophobicContact CB-CE2 3.49Å; E294-F296 VanDerWaalsContact CB-CE2 3.49Å; E294-F296 HydrophobicContact CB-CG 4.14Å; E294-F296 HydrophobicContact CB-CZ 3.4Å; E294-F296 VanDerWaalsContact CB-CZ 3.4Å; E294-F296 HydrophobicContact CG-CE1 4.17Å; E294-F296 HydrophobicContact CG-CE2 3.82Å; E294-F296 HydrophobicContact CG-CZ 3.53Å; E294-F296 PolarHBondContact O-N 3.02Å; E294-G297 PolarHBondContact O-N 3.15Å; E294-V298 HydrophobicContact CB-CB 4.43Å; E294-V298 VanDerWaalsContact CB-O 3.29Å; E294-V298 WeakPolarHBondContact CB-O 3.3Å; E294-V298 WeakPolarHBondContact CG-O 3.32Å; E294-V298 PolarHBondContact N-O 3.39Å; E294-Q300 PolarHBondContact OE1-NE2 3.24Å
295P89.8Confident91.4Very high110 Ų11043.8 Ų43.871%0.71427%0.266SS*.THydrogen-bonded Turntrans-56.2-21.1179.9-26.334.3000114.4
296F88.9Confident91.3Very high52 Ų5240.6 Ų40.623%0.22825%0.246CC..THydrogen-bonded Turntrans-94.113.3177.850.4-100000113.9R115 L218 F220 E294 V298R115-F296 PolarHBondContact NH1-O 3.13Å; L218-F296 HydrophobicContact CD2-CD1 3.95Å; L218-F296 HydrophobicContact CD2-CE1 3.73Å; L218-F296 HydrophobicContact CD2-CZ 4.15Å; F220-F296 HydrophobicContact CB-CZ 4.49Å; F220-F296 HydrophobicContact CD1-CE2 4.26Å; F220-F296 AromaticContact CD1-CZ 3.67Å; F220-F296 HydrophobicContact CD1-CZ 3.67Å; F220-F296 HydrophobicContact CD2-CZ 4.15Å; F220-F296 AromaticContact CE1-CE2 3.95Å; F220-F296 HydrophobicContact CE1-CE2 3.95Å; F220-F296 AromaticContact CE1-CZ 3.82Å; F220-F296 HydrophobicContact CE1-CZ 3.82Å; F220-F296 HydrophobicContact CE2-CZ 4.26Å; F220-F296 AromaticContact CG-CZ 3.86Å; F220-F296 HydrophobicContact CG-CZ 3.86Å; F220-F296 HydrophobicContact CZ-CE2 4.1Å; F220-F296 HydrophobicContact CZ-CZ 4.12Å; E294-F296 HydrophobicContact CB-CD1 4.06Å; E294-F296 HydrophobicContact CB-CD2 3.85Å; E294-F296 HydrophobicContact CB-CE1 3.7Å; E294-F296 HydrophobicContact CB-CE2 3.49Å; E294-F296 VanDerWaalsContact CB-CE2 3.49Å; E294-F296 HydrophobicContact CB-CG 4.14Å; E294-F296 HydrophobicContact CB-CZ 3.4Å; E294-F296 VanDerWaalsContact CB-CZ 3.4Å; E294-F296 HydrophobicContact CG-CE1 4.17Å; E294-F296 HydrophobicContact CG-CE2 3.82Å; E294-F296 HydrophobicContact CG-CZ 3.53Å; E294-F296 PolarHBondContact O-N 3.02Å; F296-V298 HydrophobicContact CD2-CB 3.94Å; F296-V298 HydrophobicContact CD2-CG2 3.68Å; F296-V298 HydrophobicContact CE2-CB 3.69Å; F296-V298 HydrophobicContact CE2-CG2 3.73Å
297G88.5Confident91.3Very high59 Ų5942.8 Ų42.861%0.60826%0.256SS*.SBendtrans84.712.1169.400000115.9E294E294-G297 PolarHBondContact O-N 3.15Å
298V90.9Very high91.4Very high51 Ų5140.4 Ų40.431%0.30924%0.241SC..  trans-95129.8176.7175.20000109.1F220 E294 F296F220-V298 HydrophobicContact CZ-CG1 4.14Å; E294-V298 HydrophobicContact CB-CB 4.43Å; E294-V298 VanDerWaalsContact CB-O 3.29Å; E294-V298 WeakPolarHBondContact CB-O 3.3Å; E294-V298 WeakPolarHBondContact CG-O 3.32Å; E294-V298 PolarHBondContact N-O 3.39Å; F296-V298 HydrophobicContact CD2-CB 3.94Å; F296-V298 HydrophobicContact CD2-CG2 3.68Å; F296-V298 HydrophobicContact CE2-CB 3.69Å; F296-V298 HydrophobicContact CE2-CG2 3.73Å
299N92.3Very high91.5Very high97 Ų9740.9 Ų40.952%0.51925%0.245SC..EExtended strand (participates in β ladder)trans-98.1135178.6-62.5-3.1000110.2T291 S292 I293T291-N299 HydrophobicContact CG2-CB 4.34Å; S292-N299 CarbonylContact O-C 3.59Å; S292-N299 WeakPolarHBondContact O-CA 3.33Å; I293-N299 WeakPolarHBondContact CG2-OD1 3.46Å
300Q92.6Very high91.5Very high19 Ų1941.7 Ų41.79%0.08926%0.255CS..EExtended strand (participates in β ladder)trans-113128.9166.8-58-170.167.600108.2F220 E221 L223 T291 S292 E294F220-Q300 VanDerWaalsContact CD2-NE2 3.34Å; F220-Q300 HydrophobicContact CE2-CG 4.08Å; F220-Q300 VanDerWaalsContact CE2-NE2 3.26Å; E221-Q300 PolarHBondContact O-NE2 3.11Å; L223-Q300 HydrophobicContact CB-CB 3.87Å; L223-Q300 HydrophobicContact CD2-CB 4.27Å; L223-Q300 WeakPolarHBondContact CD2-O 3.46Å; T291-Q300 CarbonylContact C-O 3.52Å; T291-Q300 VanDerWaalsContact CA-O 3.32Å; T291-Q300 WeakPolarHBondContact CA-O 3.41Å; S292-Q300 PolarHBondContact N-O 3.08Å; S292-Q300 PolarHBondContact O-N 3.36Å; E294-Q300 PolarHBondContact OE1-NE2 3.24Å
301T92.4Very high91.5Very high76 Ų7642.9 Ų42.947%0.46626%0.262SS..EExtended strand (participates in β ladder)trans-123.6134.6178.2-56.60000109.7E289 V290 T291E289-T301 HydrophobicContact CG-CG2 3.45Å; E289-T301 VanDerWaalsContact CG-CG2 3.45Å; V290-T301 CarbonylContact O-C 3.44Å; V290-T301 WeakPolarHBondContact O-CA 3.32Å; T291-T301 WeakPolarHBondContact OG1-CG2 3.36Å; T291-T301 PolarHBondContact OG1-OG1 3.31Å; T291-T301 VanDerWaalsContact OG1-OG1 3.08Å
302T90.8Very high91.4Very high44 Ų4445.2 Ų45.227%0.2728%0.276SS..EExtended strand (participates in β ladder)trans-125.4145.5172-170.30000109.6L223 L225 V290L223-T302 HydrophobicContact CD2-CG2 3.86Å; L223-T302 HydrophobicContact CG-CG2 4.15Å; L225-T302 HydrophobicContact CD1-CG2 4.2Å; L225-T302 HydrophobicContact CD2-CG2 4.19Å; L225-T302 HydrophobicContact CG-CG2 4.01Å; V290-T302 HydrophobicContact CB-CG2 3.94Å; V290-T302 PolarHBondContact N-O 3.4Å; V290-T302 PolarHBondContact O-N 2.84Å
303I90.3Very high91.4Very high107 Ų10749.9 Ų49.955%0.54930%0.295SS..EExtended strand (participates in β ladder)trans-118.7129.4-179.3-59.9174.6000107.9V287 L288V287-I303 HydrophobicContact CG1-CG2 3.47Å; V287-I303 VanDerWaalsContact CG1-CG2 3.47Å; L288-I303 CarbonylContact O-C 3.54Å; L288-I303 WeakPolarHBondContact O-CA 3.01Å
304T89.6Confident91.4Very high13 Ų1347.2 Ų47.28%0.0828%0.281CS..EExtended strand (participates in β ladder)trans-131.1147.5175.6-170.90000110.7L225 I235 L288L225-T304 HydrophobicContact CD1-CG2 3.53Å; I235-T304 HydrophobicContact CD1-CG2 3.84Å; I235-T304 HydrophobicContact CG1-CG2 4.4Å; L288-T304 HydrophobicContact CB-CG2 3.98Å; L288-T304 HydrophobicContact CD2-CG2 3.9Å; L288-T304 HydrophobicContact CG-CG2 4.43Å; L288-T304 PolarHBondContact N-O 2.97Å; L288-T304 PolarHBondContact O-N 3.3Å
305G90.9Very high91.5Very high23 Ų2353.5 Ų53.524%0.23730%0.304CS..EExtended strand (participates in β ladder)trans-79.5141171.900000110.5Q234 I235Q234-G305 CarbonylContact C-O 3.54Å; Q234-G305 WeakPolarHBondContact CA-O 3.35Å; Q234-G305 VanDerWaalsContact CG-O 3.27Å; Q234-G305 WeakPolarHBondContact CG-O 3.33Å; I235-G305 PolarHBondContact N-O 2.82Å
306V91.9Very high91.8Very high1 Ų148.8 Ų48.81%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-115.9129.3167.8-173.90000107.8I235 M237 V268 L277 T285 A286 L288I235-V306 HydrophobicContact CB-CG1 4.45Å; I235-V306 HydrophobicContact CB-CG2 4.25Å; I235-V306 HydrophobicContact CD1-CG2 4.36Å; I235-V306 HydrophobicContact CG2-CG1 4.38Å; I235-V306 CarbonylContact O-C 3.59Å; I235-V306 VanDerWaalsContact O-CA 3.28Å; I235-V306 WeakPolarHBondContact O-CA 3.41Å; M237-V306 HydrophobicContact CG-CG1 4.37Å; M237-V306 HydrophobicContact SD-CG1 3.91Å; V268-V306 HydrophobicContact CG1-CG1 4.38Å; V268-V306 HydrophobicContact CG2-CB 4.32Å; V268-V306 HydrophobicContact CG2-CG1 3.82Å; L277-V306 HydrophobicContact CD1-CG2 4.11Å; T285-V306 CarbonylContact C-O 3.58Å; T285-V306 WeakPolarHBondContact CA-O 3.32Å; A286-V306 HydrophobicContact CB-CB 4.35Å; A286-V306 PolarHBondContact N-O 2.84Å; A286-V306 PolarHBondContact O-N 3.33Å; L288-V306 HydrophobicContact CB-CG2 3.9Å; L288-V306 HydrophobicContact CD2-CG2 4.42Å
307Q92.6Very high92Very high53 Ų5347.3 Ų47.325%0.24827%0.269CS..EExtended strand (participates in β ladder)trans-119.6129.7175.2178.4170.4-15.300109.8I235 L236 M237 T285I235-Q307 PolarHBondContact O-N 3.08Å; L236-Q307 CarbonylContact C-O 3.5Å; L236-Q307 WeakPolarHBondContact CA-O 3.21Å; L236-Q307 HydrophobicContact CD1-CB 3.82Å; L236-Q307 HydrophobicContact CD1-CG 3.7Å; M237-Q307 PolarHBondContact N-O 2.83Å; T285-Q307 HydrophobicContact CG2-CB 4.43Å; T285-Q307 HydrophobicContact CG2-CG 4.25Å
308V93.6Very high92.3Very high2 Ų246.9 Ų46.91%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-105120.7174.3-179.10000108.5M237 I239 V268 A279 A283 G284M237-V308 HydrophobicContact CB-CG2 4.46Å; M237-V308 WeakPolarHBondContact O-CA 3.42Å; I239-V308 HydrophobicContact CB-CG1 4.44Å; I239-V308 HydrophobicContact CG2-CG1 3.73Å; V268-V308 HydrophobicContact CG2-CG2 3.43Å; V268-V308 VanDerWaalsContact CG2-CG2 3.43Å; A279-V308 HydrophobicContact CB-CG1 3.95Å; A279-V308 HydrophobicContact CB-CG2 3.79Å; A283-V308 CarbonylContact C-O 3.57Å; A283-V308 VanDerWaalsContact CA-O 3.23Å; A283-V308 WeakPolarHBondContact CA-O 3.43Å; A283-V308 WeakPolarHBondContact CB-O 3.28Å; G284-V308 PolarHBondContact N-O 3.01Å; G284-V308 PolarHBondContact O-N 3.35Å
309A92.9Very high92.3Very high10 Ų1049.5 Ų49.58%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-138153.3-178.600000111L236 M237 P238 I239 F353L236-A309 HydrophobicContact CD1-CB 4.28Å; M237-A309 PolarHBondContact O-N 2.96Å; P238-A309 VanDerWaalsContact CA-O 3.28Å; P238-A309 WeakPolarHBondContact CA-O 3.17Å; I239-A309 PolarHBondContact N-O 2.9Å; A309-F353 HydrophobicContact CB-CE1 4.02Å; A309-F353 HydrophobicContact CB-CZ 3.91Å; A309-F353 WeakPolarHBondContact O-CE1 3.47Å; A309-F353 WeakPolarHBondContact O-CZ 3.35Å
310P91.6Very high92.3Very high69 Ų6947.2 Ų47.245%0.44826%0.257SS..  trans-67.9146.7171.330.2-34.5000110.2F353P310-F353 WeakPolarHBondContact O-CZ 3.49Å
311V91.4Very high92.3Very high28 Ų2853.4 Ų53.417%0.1728%0.283CS..  trans-72.8133.8170.3-173.50000108.7P238 F345 F353 M403P238-V311 HydrophobicContact CB-CG2 3.77Å; P238-V311 HydrophobicContact CG-CG2 3.89Å; V311-F345 HydrophobicContact CG1-CB 3.6Å; V311-F345 HydrophobicContact CG1-CD1 4.01Å; V311-F345 HydrophobicContact CG1-CG 4.31Å; V311-F353 HydrophobicContact CB-CE2 4.27Å; V311-F353 HydrophobicContact CG1-CE2 4.41Å; V311-F353 HydrophobicContact CG2-CD2 4.26Å; V311-F353 HydrophobicContact CG2-CE2 3.93Å; V311-F353 HydrophobicContact CG2-CZ 4.36Å; V311-M403 HydrophobicContact CB-CE 3.57Å; V311-M403 HydrophobicContact CB-SD 4.06Å; V311-M403 HydrophobicContact CG1-CE 3.42Å; V311-M403 VanDerWaalsContact CG1-CE 3.42Å; V311-M403 HydrophobicContact CG1-SD 3.48Å; V311-M403 WeakPolarHBondContact CG1-SD 3.39Å; V311-M403 WeakPolarHBondContact O-CE 3.4Å
312T91.8Very high92.2Very high70 Ų7051.7 Ų51.743%0.42927%0.271SS..  trans-101.5-44.7-180-55.90000111.7Y346 S348T312-Y346 PolarHBondContact N-O 2.85Å; T312-S348 WeakPolarHBondContact OG1-CA 3.46Å; T312-S348 PolarHBondContact OG1-N 2.59Å
313Y92.3Very high92.2Very high98 Ų9852.4 Ų52.438%0.38427%0.269SS..EExtended strand (participates in β ladder)trans-147.3160.4175.865.6-85.7000110.9Y346 N347 G350Y313-Y346 HydrophobicContact CD2-CD2 4.14Å; Y313-Y346 HydrophobicContact CD2-CG 4.34Å; Y313-Y346 HydrophobicContact CE1-CG 4.36Å; Y313-Y346 HydrophobicContact CE2-CD1 4.41Å; Y313-Y346 AromaticContact CE2-CD2 3.58Å; Y313-Y346 HydrophobicContact CE2-CD2 3.58Å; Y313-Y346 HydrophobicContact CE2-CE2 4.42Å; Y313-Y346 AromaticContact CE2-CG 3.58Å; Y313-Y346 HydrophobicContact CE2-CG 3.58Å; Y313-Y346 AromaticContact CZ-CG 3.59Å; Y313-Y346 PolarHBondContact N-O 3.15Å; Y313-Y346 PolarHBondContact O-N 3Å; Y313-N347 WeakPolarHBondContact CE1-O 3.47Å; Y313-G350 WeakPolarHBondContact OH-CA 3.5Å
314L93.1Very high92.3Very high6 Ų649.3 Ų49.33%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-109.7153.5167.466.986.2000109V316 V343 Q344 F345 L360 M403 D405L314-V316 HydrophobicContact CD1-CG2 4.06Å; L314-V343 HydrophobicContact CB-CG1 4.06Å; L314-V343 HydrophobicContact CD1-CG1 3.92Å; L314-V343 HydrophobicContact CD2-CG1 4.45Å; L314-V343 HydrophobicContact CG-CG1 4.39Å; L314-Q344 CarbonylContact C-O 3.6Å; L314-Q344 VanDerWaalsContact CA-O 3.29Å; L314-Q344 WeakPolarHBondContact CA-O 3.31Å; L314-F345 HydrophobicContact CB-CD1 3.78Å; L314-F345 HydrophobicContact CB-CE1 4.19Å; L314-F345 HydrophobicContact CB-CG 4.29Å; L314-F345 HydrophobicContact CD2-CE1 4.3Å; L314-L360 HydrophobicContact CD2-CD2 4.01Å; L314-M403 HydrophobicContact CB-CG 4.43Å; L314-M403 HydrophobicContact CD2-CG 3.99Å; L314-M403 WeakPolarHBondContact CD2-O 3.32Å; L314-M403 HydrophobicContact CG-CG 4.18Å; L314-D405 HydrophobicContact CD1-CB 3.37Å; L314-D405 HydrophobicContact CG-CB 4.46Å
315R94.1Very high92.1Very high136 Ų13650.8 Ų50.851%0.51327%0.269SS..EExtended strand (participates in β ladder)trans-132.8132.5174.8-179.7-169.5174.3-167.22.1108.3Q344 Y346 D405R315-Q344 PolarHBondContact N-O 2.95Å; R315-Q344 PolarHBondContact O-N 2.78Å; R315-Y346 HydrophobicContact CB-CD2 4.13Å; R315-Y346 HydrophobicContact CB-CE2 3.71Å; R315-D405 WeakPolarHBondContact CA-OD2 3.39Å
316V94.8Very high91.6Very high10 Ų1059.2 Ų59.26%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-95.9132.6175.2-174.60000108.2L314 F341 V343 L395 D405 I407L314-V316 HydrophobicContact CD1-CG2 4.06Å; V316-F341 HydrophobicContact CG1-CB 3.73Å; V316-F341 HydrophobicContact CG1-CD1 3.99Å; V316-F341 HydrophobicContact CG1-CG 4.19Å; V316-V343 HydrophobicContact CG2-CG1 4.43Å; V316-V343 HydrophobicContact CG2-CG2 4.09Å; V316-L395 HydrophobicContact CB-CD1 4.44Å; V316-L395 HydrophobicContact CG1-CD1 3.94Å; V316-L395 HydrophobicContact CG2-CB 4.02Å; V316-L395 HydrophobicContact CG2-CD1 3.6Å; V316-L395 HydrophobicContact CG2-CG 4.45Å; V316-D405 HydrophobicContact CG2-CB 4.03Å; V316-D405 PolarHBondContact N-OD2 3.22Å; V316-I407 HydrophobicContact CB-CD1 3.39Å; V316-I407 HydrophobicContact CB-CG1 4.14Å; V316-I407 HydrophobicContact CG1-CD1 3.33Å; V316-I407 HydrophobicContact CG1-CG1 4.41Å
317S94.1Very high90.8Very high21 Ų2163.3 Ų63.315%0.14734%0.344CS..EExtended strand (participates in β ladder)trans-119.6137.3-179.960.10000110.1F341 T342S317-F341 CarbonylContact O-C 3.58Å; S317-F341 WeakPolarHBondContact O-CA 3.49Å; S317-T342 PolarHBondContact N-O 3.42Å; S317-T342 PolarHBondContact O-N 2.84Å; S317-T342 PolarHBondContact OG-O 2.84Å
318S93.6Very high90.3Very high51 Ų5168.1 Ų68.136%0.35736%0.36SS..EExtended strand (participates in β ladder)trans-103.1138.1-175.1-47.60000111.4F341S318-F341 WeakPolarHBondContact OG-CD1 3.31Å; S318-F341 VanDerWaalsContact OG-CE1 3.3Å; S318-F341 WeakPolarHBondContact OG-CE1 3.32Å
319Q92.5Very high89.8Confident105 Ų10574.6 Ų74.649%0.49140%0.4SS..EExtended strand (participates in β ladder)trans-136.9157.1175.8-64.6-178.1-0.700110L339 T340Q319-L339 CarbonylContact O-C 3.56Å; Q319-L339 WeakPolarHBondContact O-CA 3.46Å; Q319-T340 PolarHBondContact N-O 2.8Å; Q319-T340 PolarHBondContact O-N 2.74Å
320P92Very high89.6Confident49 Ų4977 Ų7732%0.31841%0.411SS..SBendcis-75.1163.6-4.931.6-36.1000113.1L322 M337 V478P320-L322 PolarHBondContact O-N 2.8Å; P320-M337 HydrophobicContact CG-CE 3.55Å; P320-V478 VanDerWaalsContact CG-O 3.24Å; P320-V478 WeakPolarHBondContact CG-O 3.22Å
321K91.4Very high89.5Confident150 Ų15079.4 Ų79.465%0.65243%0.429SS*.PPolyproline II helixtrans-70.7126.8172.2-175174.8179.2-178.80109.3Y323K321-Y323 HydrophobicContact CD-CE1 4.02Å; K321-Y323 HydrophobicContact CG-CE1 4.28Å; K321-Y323 WeakPolarHBondContact O-CE2 3.49Å
322L90.9Very high89.6Confident39 Ų3979 Ų7920%0.20443%0.43CS..PPolyproline II helixtrans-89143.2175.4-66.7176.5000110.7P320 L330 F333 P334 M337 L434 V478 V479P320-L322 PolarHBondContact O-N 2.8Å; L322-L330 HydrophobicContact CB-CD1 3.98Å; L322-L330 HydrophobicContact CD1-CD1 3.69Å; L322-L330 HydrophobicContact CG-CD1 4.45Å; L322-F333 HydrophobicContact CD1-CD1 4.35Å; L322-P334 HydrophobicContact CD1-CG 4.34Å; L322-M337 HydrophobicContact CD1-CE 4.2Å; L322-M337 HydrophobicContact CD1-SD 3.85Å; L322-M337 HydrophobicContact CD2-CE 3.52Å; L322-M337 HydrophobicContact CD2-SD 3.82Å; L322-M337 HydrophobicContact CG-CE 3.95Å; L322-M337 HydrophobicContact CG-SD 4.22Å; L322-L434 HydrophobicContact CD2-CD2 4.45Å; L322-V478 HydrophobicContact CD2-CG1 4.37Å; L322-V479 HydrophobicContact CD2-CB 3.86Å; L322-V479 HydrophobicContact CD2-CG1 4.07Å; L322-V479 HydrophobicContact CD2-CG2 4.22Å
323Y91.1Very high89.8Confident60 Ų6077.8 Ų77.824%0.23542%0.418CS..EExtended strand (participates in β ladder)trans-119.5140.3177.4-55.6-86.2000109.8K321 L434 V435 Q437K321-Y323 HydrophobicContact CD-CE1 4.02Å; K321-Y323 HydrophobicContact CG-CE1 4.28Å; K321-Y323 WeakPolarHBondContact O-CE2 3.49Å; Y323-L434 WeakPolarHBondContact O-CA 3.27Å; Y323-V435 WeakPolarHBondContact CB-O 3.3Å; Y323-V435 PolarHBondContact O-N 3.18Å; Y323-Q437 HydrophobicContact CD2-CB 4.22Å; Y323-Q437 HydrophobicContact CE1-CB 4.37Å; Y323-Q437 HydrophobicContact CE1-CG 4.12Å; Y323-Q437 HydrophobicContact CE2-CB 3.79Å; Y323-Q437 HydrophobicContact CE2-CG 4.27Å
324T91.7Very high90Very high42 Ų4273.1 Ų73.126%0.25840%0.4SS..EExtended strand (participates in β ladder)trans-124.1155.9178.5460000111.5R328 L330 H433 V435T324-R328 WeakPolarHBondContact CB-O 3.32Å; T324-R328 PolarHBondContact OG1-O 2.9Å; T324-L330 HydrophobicContact CG2-CD1 3.96Å; T324-L330 HydrophobicContact CG2-CD2 3.79Å; T324-L330 HydrophobicContact CG2-CG 3.51Å; T324-H433 CarbonylContact C-O 3.54Å; T324-H433 WeakPolarHBondContact CA-O 3.17Å; T324-H433 HydrophobicContact CG2-CB 4.41Å; T324-V435 VanDerWaalsContact C-CG2 3.49Å
325A86.9Confident90.1Very high44 Ų4473.3 Ų73.336%0.36440%0.401SS..SBendtrans-55.4148.3169.100000111.3G327 R328 H433 V435A325-G327 PolarHBondContact O-N 2.79Å; A325-R328 PolarHBondContact O-N 2.93Å; A325-H433 PolarHBondContact N-O 2.81Å; A325-V435 HydrophobicContact CB-CG1 4.44Å
326Q79.2Confident90.1Very high199 Ų19967.5 Ų67.593%0.9338%0.384SS*.THydrogen-bonded Turntrans-50.3132.8-170-69.9-177.6-7.700113.3R328Q326-R328 VanDerWaalsContact C-N 3.34Å; Q326-R328 PolarHBondContact O-N 2.88Å
327G76.2Confident90Very high87 Ų8767.1 Ų67.190%0.89738%0.381SS*.THydrogen-bonded Turntrans79.56175.300000115.7A325A325-G327 PolarHBondContact O-N 2.79Å
328R80.3Confident90Very high154 Ų15469.1 Ų69.158%0.58140%0.395SS*.  trans-114.5137.2176.9-62.6-69.5-178.1157.1-1.6111T324 A325 Q326T324-R328 WeakPolarHBondContact CB-O 3.32Å; T324-R328 PolarHBondContact OG1-O 2.9Å; A325-R328 PolarHBondContact O-N 2.93Å; Q326-R328 VanDerWaalsContact C-N 3.34Å; Q326-R328 PolarHBondContact O-N 2.88Å
329T83.3Confident90Very high138 Ų13866.7 Ų66.785%0.84738%0.378SS*.  trans-112.1146.1172.451.40000110.1
330L88.7Confident90.1Very high62 Ų6263.6 Ų63.633%0.32537%0.366SS..  trans-82.6135.9171-62.1170.8000109.4L322 T324 L434L322-L330 HydrophobicContact CB-CD1 3.98Å; L322-L330 HydrophobicContact CD1-CD1 3.69Å; L322-L330 HydrophobicContact CG-CD1 4.45Å; T324-L330 HydrophobicContact CG2-CD1 3.96Å; T324-L330 HydrophobicContact CG2-CD2 3.79Å; T324-L330 HydrophobicContact CG2-CG 3.51Å; L330-L434 HydrophobicContact CD1-CD2 3.58Å; L330-L434 HydrophobicContact CD2-CD2 4.26Å
331S90.4Very high90.2Very high118 Ų11861.2 Ų61.283%0.82535%0.351SS*.SBendtrans-89.7-15174.753.10000113.5
332A94.2Very high90.4Very high21 Ų2155.1 Ų55.117%0.17433%0.327CS..SBendtrans-155.8161.5-175.900000111.3A410 E412A332-A410 HydrophobicContact CB-CB 3.82Å; A332-A410 WeakPolarHBondContact CB-O 3.49Å; A332-E412 HydrophobicContact CB-CB 3.8Å; A332-E412 HydrophobicContact CB-CG 3.83Å
333F95.2Very high90.5Very high43 Ų4353.6 Ų53.619%0.18932%0.319CS..EExtended strand (participates in β ladder)trans-70.1138.3171.8-67.5-75.3000110.9L322 L335 M337 L339 V409 A410 V411 E412L322-F333 HydrophobicContact CD1-CD1 4.35Å; F333-L335 PolarHBondContact O-N 3Å; F333-M337 HydrophobicContact CD1-SD 4.44Å; F333-L339 HydrophobicContact CB-CD1 4.39Å; F333-L339 HydrophobicContact CD1-CD1 3.93Å; F333-L339 HydrophobicContact CD1-CD2 3.49Å; F333-L339 VanDerWaalsContact CD1-CD2 3.49Å; F333-L339 HydrophobicContact CD1-CG 4.33Å; F333-L339 HydrophobicContact CD2-CD1 4.21Å; F333-L339 HydrophobicContact CE1-CD1 4.22Å; F333-L339 HydrophobicContact CE1-CD2 3.53Å; F333-L339 HydrophobicContact CE2-CD1 4.49Å; F333-L339 HydrophobicContact CG-CD1 3.91Å; F333-L339 HydrophobicContact CG-CD2 4.31Å; F333-L339 HydrophobicContact CZ-CD1 4.5Å; F333-L339 HydrophobicContact CZ-CD2 4.38Å; F333-V409 HydrophobicContact CD2-CG1 3.8Å; F333-V409 HydrophobicContact CE2-CG1 4.15Å; F333-A410 WeakPolarHBondContact CD2-O 3.49Å; F333-A410 PolarHBondContact N-O 3.04Å; F333-V411 WeakPolarHBondContact O-CA 3.46Å; F333-E412 PolarHBondContact O-N 3.44Å
334P95.8Very high90.6Very high1 Ų152.3 Ų52.31%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-61.6132.3175.4-25.435.7000112.7L322 G336 M337 A414 L434 V479 T481L322-P334 HydrophobicContact CD1-CG 4.34Å; P334-G336 PolarHBondContact O-N 3.04Å; P334-M337 HydrophobicContact CB-CB 4.35Å; P334-M337 HydrophobicContact CG-SD 4.39Å; P334-M337 WeakPolarHBondContact O-CB 3.22Å; P334-M337 PolarHBondContact O-N 3.22Å; P334-M337 VanDerWaalsContact O-N 3.09Å; P334-A414 HydrophobicContact CB-CB 3.7Å; P334-A414 HydrophobicContact CG-CB 3.89Å; P334-L434 HydrophobicContact CB-CD1 4.41Å; P334-L434 HydrophobicContact CG-CD1 3.86Å; P334-L434 HydrophobicContact CG-CD2 4.29Å; P334-V479 HydrophobicContact CB-CG2 4.22Å; P334-V479 HydrophobicContact CG-CG2 4.11Å; P334-T481 HydrophobicContact CB-CG2 4.45Å
335L95.7Very high90.6Very high10 Ų1050.3 Ų50.35%0.05230%0.303CS..THydrogen-bonded Turntrans-54.2133.6172-172.370000111.2F333 M337 V386 R388 V411 E412 T481 Y482F333-L335 PolarHBondContact O-N 3Å; L335-M337 VanDerWaalsContact C-N 3.31Å; L335-V386 WeakPolarHBondContact CD1-O 3.36Å; L335-R388 HydrophobicContact CD1-CG 4.25Å; L335-R388 HydrophobicContact CD2-CG 4.34Å; L335-V411 HydrophobicContact CB-CG1 4.21Å; L335-V411 HydrophobicContact CD1-CG1 3.7Å; L335-E412 PolarHBondContact N-O 2.88Å; L335-T481 VanDerWaalsContact O-CA 3.31Å; L335-T481 WeakPolarHBondContact O-CA 3.35Å; L335-T481 WeakPolarHBondContact O-CB 3.45Å; L335-T481 PolarHBondContact O-OG1 2.94Å; L335-Y482 HydrophobicContact CD2-CD2 4.43Å; L335-Y482 HydrophobicContact CD2-CE2 3.87Å; L335-Y482 HydrophobicContact CG-CE2 4.28Å
336G93.3Very high90.8Very high14 Ų1449.3 Ų49.314%0.14429%0.289CS..THydrogen-bonded Turntrans86.6-8.3-177.700000114.9P334 A385 K480P334-G336 PolarHBondContact O-N 3.04Å; G336-A385 VanDerWaalsContact CA-O 3.29Å; G336-A385 WeakPolarHBondContact CA-O 3.46Å; G336-A385 PolarHBondContact N-O 2.79Å; G336-K480 CarbonylContact C-O 3.45Å
337M94.1Very high91.5Very high1 Ų140.1 Ų40.11%0.00525%0.247CC..  trans-67.7144.2179.7-179.7175.5-178.700111.8P320 L322 F333 P334 L335 L339 A385 V479P320-M337 HydrophobicContact CG-CE 3.55Å; L322-M337 HydrophobicContact CD1-CE 4.2Å; L322-M337 HydrophobicContact CD1-SD 3.85Å; L322-M337 HydrophobicContact CD2-CE 3.52Å; L322-M337 HydrophobicContact CD2-SD 3.82Å; L322-M337 HydrophobicContact CG-CE 3.95Å; L322-M337 HydrophobicContact CG-SD 4.22Å; F333-M337 HydrophobicContact CD1-SD 4.44Å; P334-M337 HydrophobicContact CB-CB 4.35Å; P334-M337 HydrophobicContact CG-SD 4.39Å; P334-M337 WeakPolarHBondContact O-CB 3.22Å; P334-M337 PolarHBondContact O-N 3.22Å; P334-M337 VanDerWaalsContact O-N 3.09Å; L335-M337 VanDerWaalsContact C-N 3.31Å; M337-L339 HydrophobicContact CE-CD2 3.67Å; M337-L339 HydrophobicContact CG-CD2 4.27Å; M337-L339 HydrophobicContact CG-CG 4.46Å; M337-L339 HydrophobicContact SD-CD2 3.88Å; M337-A385 PolarHBondContact O-N 2.78Å; M337-V479 HydrophobicContact CB-CG2 4.07Å; M337-V479 HydrophobicContact CE-CG2 4.44Å; M337-V479 HydrophobicContact CG-CG2 3.84Å; M337-V479 HydrophobicContact SD-CB 4.42Å; M337-V479 HydrophobicContact SD-CG2 3.74Å
338S93.9Very high92.3Very high64 Ų6440.7 Ų40.745%0.44824%0.237SC..EExtended strand (participates in β ladder)trans-94.5134.7167-171.30000110.6A383S338-A383 CarbonylContact C-O 3.48Å; S338-A383 WeakPolarHBondContact CA-O 3.3Å
339L92.8Very high92.9Very high0 Ų039.3 Ų39.30%024%0.24CC..EExtended strand (participates in β ladder)trans-124.3146.8-176.4-63.2165.7000109Q319 F333 M337 F341 A383 V409Q319-L339 CarbonylContact O-C 3.56Å; Q319-L339 WeakPolarHBondContact O-CA 3.46Å; F333-L339 HydrophobicContact CB-CD1 4.39Å; F333-L339 HydrophobicContact CD1-CD1 3.93Å; F333-L339 HydrophobicContact CD1-CD2 3.49Å; F333-L339 VanDerWaalsContact CD1-CD2 3.49Å; F333-L339 HydrophobicContact CD1-CG 4.33Å; F333-L339 HydrophobicContact CD2-CD1 4.21Å; F333-L339 HydrophobicContact CE1-CD1 4.22Å; F333-L339 HydrophobicContact CE1-CD2 3.53Å; F333-L339 HydrophobicContact CE2-CD1 4.49Å; F333-L339 HydrophobicContact CG-CD1 3.91Å; F333-L339 HydrophobicContact CG-CD2 4.31Å; F333-L339 HydrophobicContact CZ-CD1 4.5Å; F333-L339 HydrophobicContact CZ-CD2 4.38Å; M337-L339 HydrophobicContact CE-CD2 3.67Å; M337-L339 HydrophobicContact CG-CD2 4.27Å; M337-L339 HydrophobicContact CG-CG 4.46Å; M337-L339 HydrophobicContact SD-CD2 3.88Å; L339-F341 HydrophobicContact CD1-CZ 4.41Å; L339-A383 HydrophobicContact CB-CB 4.34Å; L339-A383 PolarHBondContact N-O 2.81Å; L339-A383 PolarHBondContact O-N 3.03Å; L339-V409 HydrophobicContact CD1-CG1 4.46Å
340T94.9Very high93.2Very high39 Ų3934.3 Ų34.324%0.23922%0.216CC..EExtended strand (participates in β ladder)trans-120.6119.9169.7-58.30000108.8Q319 Y381Q319-T340 PolarHBondContact N-O 2.8Å; Q319-T340 PolarHBondContact O-N 2.74Å; T340-Y381 CarbonylContact C-O 3.5Å; T340-Y381 WeakPolarHBondContact CA-O 3.39Å
341F95.4Very high93.4Very high0 Ų035.4 Ų35.40%022%0.219CC..EExtended strand (participates in β ladder)trans-93.1124170.3-62.1-67.4000109V316 S317 S318 L339 L370 I372 T380 Y381 A383 I407 V409V316-F341 HydrophobicContact CG1-CB 3.73Å; V316-F341 HydrophobicContact CG1-CD1 3.99Å; V316-F341 HydrophobicContact CG1-CG 4.19Å; S317-F341 CarbonylContact O-C 3.58Å; S317-F341 WeakPolarHBondContact O-CA 3.49Å; S318-F341 WeakPolarHBondContact OG-CD1 3.31Å; S318-F341 VanDerWaalsContact OG-CE1 3.3Å; S318-F341 WeakPolarHBondContact OG-CE1 3.32Å; L339-F341 HydrophobicContact CD1-CZ 4.41Å; F341-L370 HydrophobicContact CE2-CD2 4.31Å; F341-I372 HydrophobicContact CD2-CD1 3.66Å; F341-I372 HydrophobicContact CE2-CD1 3.96Å; F341-T380 CarbonylContact O-C 3.54Å; F341-T380 VanDerWaalsContact O-CA 3.3Å; F341-T380 WeakPolarHBondContact O-CA 3.4Å; F341-Y381 PolarHBondContact N-O 2.78Å; F341-Y381 PolarHBondContact O-N 3.4Å; F341-A383 HydrophobicContact CD2-CB 4.04Å; F341-A383 HydrophobicContact CE2-CB 3.62Å; F341-I407 HydrophobicContact CD1-CD1 4.15Å; F341-I407 HydrophobicContact CE1-CD1 4.28Å; F341-I407 HydrophobicContact CE1-CG2 4.45Å; F341-V409 HydrophobicContact CE1-CG2 4.44Å; F341-V409 HydrophobicContact CZ-CG2 3.78Å
342T93.9Very high93.4Very high22 Ų2232.9 Ų32.914%0.13519%0.193CC..EExtended strand (participates in β ladder)trans-111.8122.8174.4-57.70000109.1S317 Q344 T380S317-T342 PolarHBondContact N-O 3.42Å; S317-T342 PolarHBondContact O-N 2.84Å; S317-T342 PolarHBondContact OG-O 2.84Å; T342-Q344 HydrophobicContact CG2-CG 4.36Å; T342-T380 HydrophobicContact CG2-CG2 4.2Å
343V93.5Very high93.2Very high7 Ų732 Ų324%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-88.8125.5177.8-169.20000109.3L314 V316 F345 L360 Y379 Y381 L395L314-V343 HydrophobicContact CB-CG1 4.06Å; L314-V343 HydrophobicContact CD1-CG1 3.92Å; L314-V343 HydrophobicContact CD2-CG1 4.45Å; L314-V343 HydrophobicContact CG-CG1 4.39Å; V316-V343 HydrophobicContact CG2-CG1 4.43Å; V316-V343 HydrophobicContact CG2-CG2 4.09Å; V343-F345 HydrophobicContact CG1-CE2 4.16Å; V343-F345 HydrophobicContact CG1-CZ 4.09Å; V343-L360 HydrophobicContact CB-CD1 3.76Å; V343-L360 HydrophobicContact CG1-CD1 3.82Å; V343-L360 HydrophobicContact CG2-CD1 3.65Å; V343-Y379 PolarHBondContact N-O 2.85Å; V343-Y381 HydrophobicContact CG2-CD2 4.19Å; V343-Y381 HydrophobicContact CG2-CE2 3.96Å; V343-L395 HydrophobicContact CG2-CD1 3.85Å
344Q92.7Very high92.9Very high33 Ų3331.3 Ų31.315%0.15418%0.183CC..EExtended strand (participates in β ladder)trans-120.2146.6179.7-61.6178.2-20.200107.8L314 R315 T342 Y346 K352L314-Q344 CarbonylContact C-O 3.6Å; L314-Q344 VanDerWaalsContact CA-O 3.29Å; L314-Q344 WeakPolarHBondContact CA-O 3.31Å; R315-Q344 PolarHBondContact N-O 2.95Å; R315-Q344 PolarHBondContact O-N 2.78Å; T342-Q344 HydrophobicContact CG2-CG 4.36Å; Q344-Y346 HydrophobicContact CB-CE2 3.68Å; Q344-Y346 PolarHBondContact OE1-OH 2.66Å; Q344-K352 HydrophobicContact CB-CD 4.48Å; Q344-K352 HydrophobicContact CG-CD 4.48Å; Q344-K352 VanDerWaalsContact NE2-NZ 3.2Å
345F91.6Very high92.2Very high0 Ų032.2 Ų32.20%019%0.189CC..EExtended strand (participates in β ladder)trans-123.7150-178.6-40-120.3000110.9V311 L314 V343 F353 H356 T358 L360 Y379 M403V311-F345 HydrophobicContact CG1-CB 3.6Å; V311-F345 HydrophobicContact CG1-CD1 4.01Å; V311-F345 HydrophobicContact CG1-CG 4.31Å; L314-F345 HydrophobicContact CB-CD1 3.78Å; L314-F345 HydrophobicContact CB-CE1 4.19Å; L314-F345 HydrophobicContact CB-CG 4.29Å; L314-F345 HydrophobicContact CD2-CE1 4.3Å; V343-F345 HydrophobicContact CG1-CE2 4.16Å; V343-F345 HydrophobicContact CG1-CZ 4.09Å; F345-F353 HydrophobicContact CB-CD2 4.47Å; F345-F353 PolarHBondContact O-N 3Å; F345-H356 WeakPolarHBondContact CB-CE1 2.87Å; F345-H356 WeakPolarHBondContact CB-NE2 3.3Å; F345-H356 HydrophobicContact CD2-CB 4.09Å; F345-H356 AromaticContact CD2-CD2 2.99Å; F345-H356 WeakPolarHBondContact CD2-CD2 3.33Å; F345-H356 AromaticContact CD2-CE1 3.66Å; F345-H356 AromaticContact CD2-CG 3.24Å; F345-H356 AromaticContact CD2-ND1 3.62Å; F345-H356 AromaticContact CD2-NE2 3.25Å; F345-H356 WeakPolarHBondContact CD2-NE2 3.45Å; F345-H356 HydrophobicContact CE2-CB 3.84Å; F345-H356 AromaticContact CE2-CD2 3.52Å; F345-H356 AromaticContact CE2-CG 3.52Å; F345-H356 AromaticContact CG-CD2 3.78Å; F345-H356 AromaticContact CG-CE1 3.63Å; F345-H356 AromaticContact CG-CG 3.79Å; F345-H356 AromaticContact CG-ND1 3.66Å; F345-H356 AromaticContact CG-NE2 3.63Å; F345-H356 HydrophobicContact CZ-CB 4.34Å; F345-T358 HydrophobicContact CE1-CG2 4.28Å; F345-T358 VanDerWaalsContact CE1-OG1 3.28Å; F345-T358 WeakPolarHBondContact CE1-OG1 3.4Å; F345-T358 WeakPolarHBondContact CZ-OG1 2.98Å; F345-L360 HydrophobicContact CE1-CD2 4.02Å; F345-L360 HydrophobicContact CZ-CD1 4.21Å; F345-L360 HydrophobicContact CZ-CD2 3.97Å; F345-L360 HydrophobicContact CZ-CG 4.31Å; F345-Y379 HydrophobicContact CE2-CD1 4.03Å; F345-Y379 HydrophobicContact CE2-CE1 4.37Å; F345-Y379 HydrophobicContact CE2-CG 4.1Å; F345-Y379 AromaticContact CZ-CD1 3.95Å; F345-Y379 HydrophobicContact CZ-CD1 3.95Å; F345-Y379 HydrophobicContact CZ-CE1 4.13Å; F345-Y379 HydrophobicContact CZ-CG 4.48Å; F345-M403 HydrophobicContact CD1-SD 4.42Å
346Y92.8Very high91.2Very high22 Ų2233 Ų339%0.08619%0.192CC..EExtended strand (participates in β ladder)trans-136.1148.4-165.3-68-93.2000111.8T312 Y313 R315 Q344 G350 E351 K352 F353T312-Y346 PolarHBondContact N-O 2.85Å; Y313-Y346 HydrophobicContact CD2-CD2 4.14Å; Y313-Y346 HydrophobicContact CD2-CG 4.34Å; Y313-Y346 HydrophobicContact CE1-CG 4.36Å; Y313-Y346 HydrophobicContact CE2-CD1 4.41Å; Y313-Y346 AromaticContact CE2-CD2 3.58Å; Y313-Y346 HydrophobicContact CE2-CD2 3.58Å; Y313-Y346 HydrophobicContact CE2-CE2 4.42Å; Y313-Y346 AromaticContact CE2-CG 3.58Å; Y313-Y346 HydrophobicContact CE2-CG 3.58Å; Y313-Y346 AromaticContact CZ-CG 3.59Å; Y313-Y346 PolarHBondContact N-O 3.15Å; Y313-Y346 PolarHBondContact O-N 3Å; R315-Y346 HydrophobicContact CB-CD2 4.13Å; R315-Y346 HydrophobicContact CB-CE2 3.71Å; Q344-Y346 HydrophobicContact CB-CE2 3.68Å; Q344-Y346 PolarHBondContact OE1-OH 2.66Å; Y346-G350 VanDerWaalsContact CD1-O 3.28Å; Y346-G350 WeakPolarHBondContact CD1-O 3.47Å; Y346-E351 VanDerWaalsContact CA-O 3.25Å; Y346-E351 WeakPolarHBondContact CA-O 3.4Å; Y346-K352 HydrophobicContact CD1-CB 4.14Å; Y346-K352 HydrophobicContact CE1-CB 3.73Å; Y346-K352 HydrophobicContact CE1-CG 4.42Å; Y346-F353 VanDerWaalsContact C-CE2 3.43Å
347N92.3Very high90.3Very high6 Ų636.7 Ų36.73%0.03221%0.209CC..  trans-83.6-176172.672.78.1000111.2L236 Y313 I349 G350 E351 F353L236-N347 HydrophobicContact CD2-CB 4.46Å; Y313-N347 WeakPolarHBondContact CE1-O 3.47Å; N347-I349 PolarHBondContact O-N 2.97Å; N347-I349 WeakPolarHBondContact OD1-CG1 3.28Å; N347-I349 PolarHBondContact OD1-N 2.98Å; N347-G350 PolarHBondContact O-N 3.34Å; N347-G350 VanDerWaalsContact O-N 3.17Å; N347-G350 PolarHBondContact OD1-N 3.27Å; N347-E351 PolarHBondContact N-O 2.85Å; N347-E351 PolarHBondContact ND2-OE2 3.03Å; N347-E351 PolarHBondContact OD1-N 2.86Å; N347-F353 HydrophobicContact CB-CE2 3.81Å; N347-F353 HydrophobicContact CB-CZ 3.83Å
348S92.9Very high89.5Confident100 Ų10037.9 Ų37.970%0.69922%0.216SC*.THydrogen-bonded Turntrans-68.8-14.8-17657.70000114.7T312T312-S348 WeakPolarHBondContact OG1-CA 3.46Å; T312-S348 PolarHBondContact OG1-N 2.59Å
349I92.8Very high89.1Confident124 Ų12440.1 Ų40.164%0.63622%0.219SC*.THydrogen-bonded Turntrans-105.23.6177.460.9167.7000112.6N347 E351N347-I349 PolarHBondContact O-N 2.97Å; N347-I349 WeakPolarHBondContact OD1-CG1 3.28Å; N347-I349 PolarHBondContact OD1-N 2.98Å; I349-E351 HydrophobicContact CD1-CG 3.98Å; I349-E351 WeakPolarHBondContact CD1-OE2 3.02Å; I349-E351 HydrophobicContact CG1-CG 4.01Å
350G91.4Very high89Confident33 Ų3341.4 Ų41.434%0.3423%0.226SC..  trans8418.8176.200000115.2Y313 Y346 N347Y313-G350 WeakPolarHBondContact OH-CA 3.5Å; Y346-G350 VanDerWaalsContact CD1-O 3.28Å; Y346-G350 WeakPolarHBondContact CD1-O 3.47Å; N347-G350 PolarHBondContact O-N 3.34Å; N347-G350 VanDerWaalsContact O-N 3.17Å; N347-G350 PolarHBondContact OD1-N 3.27Å
351E91.6Very high88.9Confident86 Ų8645.3 Ų45.340%0.40224%0.237SC..PPolyproline II helixtrans-82.9137.2171-64.3173.4145.200111L236 Y346 N347 I349L236-E351 HydrophobicContact CD2-CB 3.78Å; Y346-E351 VanDerWaalsContact CA-O 3.25Å; Y346-E351 WeakPolarHBondContact CA-O 3.4Å; N347-E351 PolarHBondContact N-O 2.85Å; N347-E351 PolarHBondContact ND2-OE2 3.03Å; N347-E351 PolarHBondContact OD1-N 2.86Å; I349-E351 HydrophobicContact CD1-CG 3.98Å; I349-E351 WeakPolarHBondContact CD1-OE2 3.02Å; I349-E351 HydrophobicContact CG1-CG 4.01Å
352K91Very high88.8Confident64 Ų6447.3 Ų47.328%0.27825%0.248SC..BIsolated β-bridgetrans-77.6132.5177.8-176.4-179.8167.9-175.10110E229 Q344 Y346E229-K352 IonicContact OE2-NZ 2.86Å; E229-K352 PolarHBondContact OE2-NZ 2.6Å; Q344-K352 HydrophobicContact CB-CD 4.48Å; Q344-K352 HydrophobicContact CG-CD 4.48Å; Q344-K352 VanDerWaalsContact NE2-NZ 3.2Å; Y346-K352 HydrophobicContact CD1-CB 4.14Å; Y346-K352 HydrophobicContact CE1-CB 3.73Å; Y346-K352 HydrophobicContact CE1-CG 4.42Å
353F90.8Very high88.8Confident3 Ų347.8 Ų47.81%0.01325%0.254CS..PPolyproline II helixtrans-77.7155.7173.1-76.7-82.2000112.5L236 M237 P238 A309 P310 V311 F345 Y346 N347 H356L236-F353 HydrophobicContact CB-CD1 4.37Å; L236-F353 HydrophobicContact CD1-CD1 4.34Å; L236-F353 HydrophobicContact CD1-CE1 4.02Å; L236-F353 HydrophobicContact CD2-CD1 3.93Å; L236-F353 HydrophobicContact CD2-CE1 4.08Å; L236-F353 HydrophobicContact CD2-CG 4.18Å; L236-F353 HydrophobicContact CG-CD1 3.51Å; L236-F353 HydrophobicContact CG-CE1 3.67Å; L236-F353 HydrophobicContact CG-CG 4.21Å; M237-F353 VanDerWaalsContact C-CE1 3.44Å; M237-F353 WeakPolarHBondContact O-CE1 3.34Å; P238-F353 HydrophobicContact CB-CD1 4.49Å; P238-F353 HydrophobicContact CB-CE1 4.46Å; P238-F353 VanDerWaalsContact CD-CD1 3.44Å; P238-F353 HydrophobicContact CG-CB 4.28Å; P238-F353 HydrophobicContact CG-CD1 3.71Å; P238-F353 HydrophobicContact CG-CE1 4.14Å; P238-F353 HydrophobicContact CG-CG 3.95Å; A309-F353 HydrophobicContact CB-CE1 4.02Å; A309-F353 HydrophobicContact CB-CZ 3.91Å; A309-F353 WeakPolarHBondContact O-CE1 3.47Å; A309-F353 WeakPolarHBondContact O-CZ 3.35Å; P310-F353 WeakPolarHBondContact O-CZ 3.49Å; V311-F353 HydrophobicContact CB-CE2 4.27Å; V311-F353 HydrophobicContact CG1-CE2 4.41Å; V311-F353 HydrophobicContact CG2-CD2 4.26Å; V311-F353 HydrophobicContact CG2-CE2 3.93Å; V311-F353 HydrophobicContact CG2-CZ 4.36Å; F345-F353 HydrophobicContact CB-CD2 4.47Å; F345-F353 PolarHBondContact O-N 3Å; Y346-F353 VanDerWaalsContact C-CE2 3.43Å; N347-F353 HydrophobicContact CB-CE2 3.81Å; N347-F353 HydrophobicContact CB-CZ 3.83Å; F353-H356 WeakPolarHBondContact CB-CE1 3.46Å; F353-H356 WeakPolarHBondContact CB-NE2 3.48Å; F353-H356 AromaticContact CD2-CE1 3.79Å; F353-H356 AromaticContact CG-CE1 3.56Å
354H87.3Confident88.9Confident28 Ų2849.8 Ų49.813%0.1326%0.264CS..SBendtrans-100.3-4.4-176.1-58.480.9000113.3Y227 P232 L236Y227-H354 HydrophobicContact CD1-CB 4.47Å; Y227-H354 AromaticContact CD1-CD2 3.55Å; Y227-H354 HydrophobicContact CD2-CB 4.08Å; Y227-H354 HydrophobicContact CE1-CB 4.11Å; Y227-H354 AromaticContact CE1-CD2 3.66Å; Y227-H354 HydrophobicContact CE2-CB 3.78Å; Y227-H354 WeakPolarHBondContact CE2-O 3.31Å; Y227-H354 HydrophobicContact CG-CB 4.45Å; Y227-H354 AromaticContact CG-CD2 3.96Å; Y227-H354 PolarHBondContact OH-O 2.92Å; P232-H354 WeakPolarHBondContact CB-NE2 3.39Å; L236-H354 PolarHBondContact N-ND1 2.81Å; L236-H354 PolarHBondContact O-N 3.28Å; L236-H354 PolarHBondContact O-ND1 3.17Å
355T81.1Confident88.9Confident21 Ų2153.3 Ų53.313%0.12928%0.284CS..  trans-155.6157.3174.2-177.30000108.5M237 P238 S241 Q242 L243M237-T355 HydrophobicContact CB-CG2 3.99Å; M237-T355 HydrophobicContact CE-CG2 3.94Å; M237-T355 HydrophobicContact CG-CG2 3.8Å; P238-T355 WeakPolarHBondContact CD-O 3.25Å; P238-T355 WeakPolarHBondContact CG-O 3.09Å; S241-T355 WeakPolarHBondContact OG-CG2 3.38Å; Q242-T355 PolarHBondContact O-OG1 2.65Å; L243-T355 HydrophobicContact CB-CG2 4.06Å
356H75.2Confident88.9Confident27 Ų2758.2 Ų58.213%0.12530%0.303CS..  trans-146.3150174.9-66.6-58.3000110.8P238 F345 F353 Y379P238-H356 VanDerWaalsContact CG-CE1 3.44Å; P238-H356 WeakPolarHBondContact CG-CE1 3.34Å; P238-H356 WeakPolarHBondContact CG-ND1 3.32Å; F345-H356 WeakPolarHBondContact CB-CE1 2.87Å; F345-H356 WeakPolarHBondContact CB-NE2 3.3Å; F345-H356 HydrophobicContact CD2-CB 4.09Å; F345-H356 AromaticContact CD2-CD2 2.99Å; F345-H356 WeakPolarHBondContact CD2-CD2 3.33Å; F345-H356 AromaticContact CD2-CE1 3.66Å; F345-H356 AromaticContact CD2-CG 3.24Å; F345-H356 AromaticContact CD2-ND1 3.62Å; F345-H356 AromaticContact CD2-NE2 3.25Å; F345-H356 WeakPolarHBondContact CD2-NE2 3.45Å; F345-H356 HydrophobicContact CE2-CB 3.84Å; F345-H356 AromaticContact CE2-CD2 3.52Å; F345-H356 AromaticContact CE2-CG 3.52Å; F345-H356 AromaticContact CG-CD2 3.78Å; F345-H356 AromaticContact CG-CE1 3.63Å; F345-H356 AromaticContact CG-CG 3.79Å; F345-H356 AromaticContact CG-ND1 3.66Å; F345-H356 AromaticContact CG-NE2 3.63Å; F345-H356 HydrophobicContact CZ-CB 4.34Å; F353-H356 WeakPolarHBondContact CB-CE1 3.46Å; F353-H356 WeakPolarHBondContact CB-NE2 3.48Å; F353-H356 AromaticContact CD2-CE1 3.79Å; F353-H356 AromaticContact CG-CE1 3.56Å; H356-Y379 HydrophobicContact CB-CD2 4.42Å; H356-Y379 HydrophobicContact CB-CE1 4.41Å; H356-Y379 HydrophobicContact CB-CE2 3.69Å; H356-Y379 PolarHBondContact O-OH 3.22Å
357N74.7Confident88.8Confident91 Ų9163.2 Ų63.249%0.48733%0.331SS..  trans-135.864.2173-171.321.4000109.5N240 Y379N240-N357 PolarHBondContact O-ND2 2.81Å; N357-Y379 VanDerWaalsContact CA-OH 3.32Å; N357-Y379 WeakPolarHBondContact CA-OH 3.17Å; N357-Y379 PolarHBondContact N-OH 2.7Å
358T77.9Confident88.7Confident26 Ų2666.5 Ų66.516%0.1635%0.348CS..  trans-119151.4-17953.10000110.5F345 Y379F345-T358 HydrophobicContact CE1-CG2 4.28Å; F345-T358 VanDerWaalsContact CE1-OG1 3.28Å; F345-T358 WeakPolarHBondContact CE1-OG1 3.4Å; F345-T358 WeakPolarHBondContact CZ-OG1 2.98Å; T358-Y379 PolarHBondContact N-OH 3.41Å; T358-Y379 VanDerWaalsContact N-OH 3.1Å; T358-Y379 WeakPolarHBondContact O-CE1 3.3Å
359Q84.4Confident88.7Confident110 Ų11061.8 Ų61.851%0.51432%0.315SS..  trans-102.1105.9172.2-72.2-177.4-8.500107.5R398Q359-R398 HydrophobicContact CB-CB 4.35Å; Q359-R398 WeakPolarHBondContact O-CB 3.4Å; Q359-R398 PolarHBondContact O-N 3.47Å
360L90.5Very high88.8Confident28 Ų2856 Ų5615%0.14729%0.286CS..EExtended strand (participates in β ladder)trans-80.1139.3178.8-66.6-179.6000110.7L314 V343 F345 Y379 Y381 W396L314-L360 HydrophobicContact CD2-CD2 4.01Å; V343-L360 HydrophobicContact CB-CD1 3.76Å; V343-L360 HydrophobicContact CG1-CD1 3.82Å; V343-L360 HydrophobicContact CG2-CD1 3.65Å; F345-L360 HydrophobicContact CE1-CD2 4.02Å; F345-L360 HydrophobicContact CZ-CD1 4.21Å; F345-L360 HydrophobicContact CZ-CD2 3.97Å; F345-L360 HydrophobicContact CZ-CG 4.31Å; L360-Y379 HydrophobicContact CD1-CD1 3.73Å; L360-Y379 HydrophobicContact CG-CD1 4.15Å; L360-Y381 WeakPolarHBondContact CB-OH 3.32Å; L360-Y381 HydrophobicContact CD1-CE2 4.08Å; L360-W396 WeakPolarHBondContact CA-O 3.48Å
361Y92.4Very high88.9Confident120 Ų12060.9 Ų60.947%0.47130%0.299SS..EExtended strand (participates in β ladder)trans-107.3134.7168.7-173.2-86.5000109.1A363 L395 W396Y361-A363 HydrophobicContact CE1-CB 4.07Å; Y361-L395 WeakPolarHBondContact O-CA 3.31Å; Y361-W396 HydrophobicContact CD1-CD2 4.16Å; Y361-W396 AromaticContact CD1-CE2 3.38Å; Y361-W396 AromaticContact CD1-CH2 3.52Å; Y361-W396 HydrophobicContact CD1-CH2 3.52Å; Y361-W396 AromaticContact CD1-CZ2 3.04Å; Y361-W396 HydrophobicContact CD1-CZ2 3.04Å; Y361-W396 HydrophobicContact CD1-CZ3 4.22Å; Y361-W396 AromaticContact CD1-NE1 3.85Å; Y361-W396 AromaticContact CE1-CH2 3.65Å; Y361-W396 HydrophobicContact CE1-CH2 3.65Å; Y361-W396 AromaticContact CE1-CZ2 3.34Å; Y361-W396 HydrophobicContact CE1-CZ2 3.34Å; Y361-W396 HydrophobicContact CG-CZ2 4.07Å; Y361-W396 PolarHBondContact N-O 3.15Å; Y361-W396 PolarHBondContact O-N 3.22Å; Y361-W396 VanDerWaalsContact O-N 3.08Å
362L94.2Very high89.1Confident42 Ų4257.9 Ų57.922%0.2229%0.286CS..EExtended strand (participates in β ladder)trans-111.9133.2-179.617168.7000109.1I372 Y381 V393 G394 L395L362-I372 HydrophobicContact CD1-CD1 3.97Å; L362-I372 HydrophobicContact CD2-CB 4.4Å; L362-I372 HydrophobicContact CD2-CD1 3.93Å; L362-I372 HydrophobicContact CD2-CG1 3.81Å; L362-I372 HydrophobicContact CD2-CG2 3.85Å; L362-Y381 HydrophobicContact CB-CE1 4.17Å; L362-Y381 HydrophobicContact CD2-CD1 3.87Å; L362-Y381 HydrophobicContact CD2-CE1 4.07Å; L362-V393 HydrophobicContact CD1-CG1 3.66Å; L362-G394 WeakPolarHBondContact CA-O 3.44Å; L362-L395 HydrophobicContact CB-CD2 3.8Å; L362-L395 HydrophobicContact CD1-CD1 4.45Å; L362-L395 HydrophobicContact CD1-CD2 3.7Å; L362-L395 HydrophobicContact CD1-CG 3.84Å; L362-L395 HydrophobicContact CG-CD2 4.33Å
363A93.8Very high89.2Confident33 Ų3356 Ų5627%0.27328%0.284SS..EExtended strand (participates in β ladder)trans-135.9151.3170.100000112.3Y361 G394 W396Y361-A363 HydrophobicContact CE1-CB 4.07Å; A363-G394 PolarHBondContact N-O 3.15Å; A363-G394 PolarHBondContact O-N 3.25Å; A363-W396 HydrophobicContact CB-CH2 3.41Å; A363-W396 VanDerWaalsContact CB-CH2 3.41Å; A363-W396 HydrophobicContact CB-CZ3 3.66Å
364L95.2Very high89.3Confident49 Ų4961.4 Ų61.426%0.25732%0.32SS..EExtended strand (participates in β ladder)trans-122.7144.5172.6-59.6162.2000108.2R366 D367 L370 I372 L392 V393L364-R366 VanDerWaalsContact C-N 3.34Å; L364-D367 HydrophobicContact CD1-CB 4.06Å; L364-L370 HydrophobicContact CD2-CD2 4.24Å; L364-I372 HydrophobicContact CD1-CG2 3.44Å; L364-I372 VanDerWaalsContact CD1-CG2 3.44Å; L364-I372 HydrophobicContact CD2-CG2 4.02Å; L364-I372 HydrophobicContact CG-CG2 4.06Å; L364-L392 WeakPolarHBondContact CA-O 3.47Å; L364-V393 HydrophobicContact CD2-CB 4.34Å; L364-V393 HydrophobicContact CD2-CG2 3.69Å
365N92.9Very high89.4Confident106 Ų10660.9 Ų60.957%0.56732%0.322SS*.SBendtrans-79.3-22.4165.368.5-19.1000112.1T391 L392N365-T391 WeakPolarHBondContact OD1-CA 3.47Å; N365-T391 PolarHBondContact OD1-OG1 2.75Å; N365-L392 PolarHBondContact N-O 2.77Å; N365-L392 PolarHBondContact OD1-N 2.81Å
366R92.7Very high89.7Confident104 Ų10467.7 Ų67.739%0.39236%0.358SS..  trans-142.8108.1176.2-74.3-167.765.8174.91110.6L364 D368 L369 T391L364-R366 VanDerWaalsContact C-N 3.34Å; R366-D368 WeakPolarHBondContact CB-OD1 3.3Å; R366-D368 IonicContact CZ-OD1 3.8Å; R366-D368 IonicContact CZ-OD2 3.19Å; R366-D368 IonicContact NE-OD1 2.76Å; R366-D368 PolarHBondContact NE-OD1 3.4Å; R366-D368 IonicContact NE-OD2 2.77Å; R366-D368 IonicContact NH2-OD1 3.64Å; R366-D368 PolarHBondContact NH2-OD1 3.17Å; R366-D368 IonicContact NH2-OD2 3.92Å; R366-D368 PolarHBondContact NH2-OD2 2.54Å; R366-L369 HydrophobicContact CB-CD1 4.26Å; R366-L369 HydrophobicContact CB-CG 4.26Å; R366-T391 PolarHBondContact N-OG1 2.9Å; R366-T391 PolarHBondContact O-OG1 2.8Å
367D89.3Confident90.1Very high127 Ų12773.8 Ų73.868%0.67938%0.384SS*.SBendtrans-84.7-22.8178.263.6-16.7000112.9L364 L369L364-D367 HydrophobicContact CD1-CB 4.06Å; D367-L369 PolarHBondContact O-N 2.89Å
368D91.4Very high90.5Very high74 Ų7476.2 Ų76.240%0.39640%0.397SS..SBendtrans-63.6-22.1176.973.9-59.7000113.7R366 N387R366-D368 WeakPolarHBondContact CB-OD1 3.3Å; R366-D368 IonicContact CZ-OD1 3.8Å; R366-D368 IonicContact CZ-OD2 3.19Å; R366-D368 IonicContact NE-OD1 2.76Å; R366-D368 PolarHBondContact NE-OD1 3.4Å; R366-D368 IonicContact NE-OD2 2.77Å; R366-D368 IonicContact NH2-OD1 3.64Å; R366-D368 PolarHBondContact NH2-OD1 3.17Å; R366-D368 IonicContact NH2-OD2 3.92Å; R366-D368 PolarHBondContact NH2-OD2 2.54Å; D368-N387 PolarHBondContact O-ND2 3.48Å
369L92.1Very high91.1Very high2 Ų277.4 Ų77.41%0.0140%0.399CS..SBendtrans-91.1-33.7-177.9-60.6-173.4000114.2R366 D367 V386 N387 R388 T391R366-L369 HydrophobicContact CB-CD1 4.26Å; R366-L369 HydrophobicContact CB-CG 4.26Å; D367-L369 PolarHBondContact O-N 2.89Å; L369-V386 PolarHBondContact O-N 3.03Å; L369-N387 HydrophobicContact CD2-CB 3.54Å; L369-N387 PolarHBondContact O-N 2.95Å; L369-R388 WeakPolarHBondContact CD2-O 3.47Å; L369-T391 HydrophobicContact CB-CG2 4.45Å
370L94.3Very high91.5Very high2 Ų273 Ų731%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-138.3111.3-170.1-173.576.6000109.7F341 L364 I372 A383 T391 V393 V409F341-L370 HydrophobicContact CE2-CD2 4.31Å; L364-L370 HydrophobicContact CD2-CD2 4.24Å; L370-I372 PolarHBondContact O-N 2.82Å; L370-A383 HydrophobicContact CD1-CB 3.92Å; L370-A383 HydrophobicContact CD2-CB 4.18Å; L370-A383 HydrophobicContact CG-CB 4.05Å; L370-T391 HydrophobicContact CB-CG2 3.8Å; L370-T391 HydrophobicContact CD2-CG2 4.12Å; L370-V393 HydrophobicContact CD2-CG2 3.66Å; L370-V409 HydrophobicContact CD1-CG1 4.12Å; L370-V409 HydrophobicContact CD2-CB 4.42Å; L370-V409 HydrophobicContact CD2-CG1 4.21Å; L370-V409 HydrophobicContact CD2-CG2 4.31Å
371H94.3Very high91.7Very high136 Ų13672.9 Ų72.963%0.6338%0.377SS*.EExtended strand (participates in β ladder)trans-83.4112.2173.6-171.767000109.1A383 Q384 V386H371-A383 CarbonylContact O-C 3.55Å; H371-A383 WeakPolarHBondContact O-CA 3.47Å; H371-Q384 PolarHBondContact N-O 2.87Å; H371-Q384 PolarHBondContact O-N 2.87Å; H371-V386 HydrophobicContact CB-CG2 3.9Å
372I95Very high91.8Very high23 Ų2371.3 Ų71.312%0.11838%0.375CS..EExtended strand (participates in β ladder)trans-130.1140.2-174.9-178.7170.8000111.4F341 L362 L364 L370 M382 A383 V393F341-I372 HydrophobicContact CD2-CD1 3.66Å; F341-I372 HydrophobicContact CE2-CD1 3.96Å; L362-I372 HydrophobicContact CD1-CD1 3.97Å; L362-I372 HydrophobicContact CD2-CB 4.4Å; L362-I372 HydrophobicContact CD2-CD1 3.93Å; L362-I372 HydrophobicContact CD2-CG1 3.81Å; L362-I372 HydrophobicContact CD2-CG2 3.85Å; L364-I372 HydrophobicContact CD1-CG2 3.44Å; L364-I372 VanDerWaalsContact CD1-CG2 3.44Å; L364-I372 HydrophobicContact CD2-CG2 4.02Å; L364-I372 HydrophobicContact CG-CG2 4.06Å; L370-I372 PolarHBondContact O-N 2.82Å; I372-M382 CarbonylContact C-O 3.49Å; I372-M382 VanDerWaalsContact CA-O 3.3Å; I372-M382 WeakPolarHBondContact CA-O 3.49Å; I372-A383 HydrophobicContact CB-CB 3.83Å; I372-A383 HydrophobicContact CD1-CB 4.06Å; I372-A383 HydrophobicContact CG1-CB 3.88Å; I372-V393 HydrophobicContact CD1-CG1 4.23Å
373G93.2Very high91.9Very high23 Ų2369.4 Ų69.424%0.23737%0.366CS..EExtended strand (participates in β ladder)trans-152.6172.9178.500000112.5Y381 M382G373-Y381 CarbonylContact O-C 3.58Å; G373-Y381 WeakPolarHBondContact O-CA 3.37Å; G373-Y381 WeakPolarHBondContact O-CB 3.44Å; G373-M382 PolarHBondContact N-O 3.44Å; G373-M382 PolarHBondContact O-N 3.37Å
374P92.9Very high91.9Very high117 Ų11772.6 Ų72.676%0.7638%0.375SS*.EExtended strand (participates in β ladder)trans-63.1138.2176.927.5-33.7000111
375G90Very high92Very high18 Ų1870.2 Ų70.219%0.18636%0.362CS..  trans-89.4-174.517700000113.5K377 T380G375-K377 VanDerWaalsContact C-N 3.31Å; G375-K377 PolarHBondContact O-N 3.06Å; G375-T380 PolarHBondContact N-O 2.91Å
376N86.6Confident92Very high163 Ų16367.7 Ų67.787%0.87235%0.351SS*.SBendtrans-74.7-18.1-176.3-63.4-14.5000114
377K84.2Confident92.1Very high156 Ų15666.5 Ų66.568%0.67835%0.352SS*.SBendtrans-109148.9177.8-65.9-178.5179.1-177.80109.7G375 Y379 T380G375-K377 VanDerWaalsContact C-N 3.31Å; G375-K377 PolarHBondContact O-N 3.06Å; K377-Y379 PolarHBondContact O-N 2.88Å; K377-T380 HydrophobicContact CB-CG2 3.76Å; K377-T380 PolarHBondContact N-OG1 2.88Å; K377-T380 PolarHBondContact O-N 3.27Å; K377-T380 VanDerWaalsContact O-N 3.15Å; K377-T380 PolarHBondContact O-OG1 3.47Å
378N83.9Confident92.3Very high141 Ų14165.8 Ų65.875%0.75434%0.34SS*.THydrogen-bonded Turntrans-54.7138.3172.9-70-16.1000110.2T380N378-T380 PolarHBondContact O-N 2.84Å
379Y88.9Confident92.5Very high51 Ų5163.3 Ų63.320%0.233%0.332CS..THydrogen-bonded Turntrans63.121.2179.5-44.3-69.1000114.9V343 F345 H356 N357 T358 L360 K377V343-Y379 PolarHBondContact N-O 2.85Å; F345-Y379 HydrophobicContact CE2-CD1 4.03Å; F345-Y379 HydrophobicContact CE2-CE1 4.37Å; F345-Y379 HydrophobicContact CE2-CG 4.1Å; F345-Y379 AromaticContact CZ-CD1 3.95Å; F345-Y379 HydrophobicContact CZ-CD1 3.95Å; F345-Y379 HydrophobicContact CZ-CE1 4.13Å; F345-Y379 HydrophobicContact CZ-CG 4.48Å; H356-Y379 HydrophobicContact CB-CD2 4.42Å; H356-Y379 HydrophobicContact CB-CE1 4.41Å; H356-Y379 HydrophobicContact CB-CE2 3.69Å; H356-Y379 PolarHBondContact O-OH 3.22Å; N357-Y379 VanDerWaalsContact CA-OH 3.32Å; N357-Y379 WeakPolarHBondContact CA-OH 3.17Å; N357-Y379 PolarHBondContact N-OH 2.7Å; T358-Y379 PolarHBondContact N-OH 3.41Å; T358-Y379 VanDerWaalsContact N-OH 3.1Å; T358-Y379 WeakPolarHBondContact O-CE1 3.3Å; L360-Y379 HydrophobicContact CD1-CD1 3.73Å; L360-Y379 HydrophobicContact CG-CD1 4.15Å; K377-Y379 PolarHBondContact O-N 2.88Å
380T92.9Very high92.7Very high17 Ų1768.2 Ų68.210%0.10436%0.358CS..EExtended strand (participates in β ladder)trans-110.4144.4169.665.80000110.8F341 T342 G375 K377 N378F341-T380 CarbonylContact O-C 3.54Å; F341-T380 VanDerWaalsContact O-CA 3.3Å; F341-T380 WeakPolarHBondContact O-CA 3.4Å; T342-T380 HydrophobicContact CG2-CG2 4.2Å; G375-T380 PolarHBondContact N-O 2.91Å; K377-T380 HydrophobicContact CB-CG2 3.76Å; K377-T380 PolarHBondContact N-OG1 2.88Å; K377-T380 PolarHBondContact O-N 3.27Å; K377-T380 VanDerWaalsContact O-N 3.15Å; K377-T380 PolarHBondContact O-OG1 3.47Å; N378-T380 PolarHBondContact O-N 2.84Å
381Y95.1Very high92.8Very high27 Ų2768.2 Ų68.211%0.10636%0.357CS..EExtended strand (participates in β ladder)trans-128.1128.1175.5-63.5-92.5000109.3T340 F341 V343 L360 L362 G373 L395T340-Y381 CarbonylContact C-O 3.5Å; T340-Y381 WeakPolarHBondContact CA-O 3.39Å; F341-Y381 PolarHBondContact N-O 2.78Å; F341-Y381 PolarHBondContact O-N 3.4Å; V343-Y381 HydrophobicContact CG2-CD2 4.19Å; V343-Y381 HydrophobicContact CG2-CE2 3.96Å; L360-Y381 WeakPolarHBondContact CB-OH 3.32Å; L360-Y381 HydrophobicContact CD1-CE2 4.08Å; L362-Y381 HydrophobicContact CB-CE1 4.17Å; L362-Y381 HydrophobicContact CD2-CD1 3.87Å; L362-Y381 HydrophobicContact CD2-CE1 4.07Å; G373-Y381 CarbonylContact O-C 3.58Å; G373-Y381 WeakPolarHBondContact O-CA 3.37Å; G373-Y381 WeakPolarHBondContact O-CB 3.44Å; Y381-L395 HydrophobicContact CD2-CD1 4.13Å; Y381-L395 HydrophobicContact CD2-CD2 4.06Å; Y381-L395 HydrophobicContact CE1-CD2 4.26Å; Y381-L395 HydrophobicContact CE2-CD1 4.23Å; Y381-L395 HydrophobicContact CE2-CD2 3.48Å; Y381-L395 VanDerWaalsContact CE2-CD2 3.48Å
382M95.4Very high92.8Very high86 Ų8664.9 Ų64.942%0.42434%0.344SS..EExtended strand (participates in β ladder)trans-93.7131174.7-67.4-176.167.600108.8I372 G373I372-M382 CarbonylContact C-O 3.49Å; I372-M382 VanDerWaalsContact CA-O 3.3Å; I372-M382 WeakPolarHBondContact CA-O 3.49Å; G373-M382 PolarHBondContact N-O 3.44Å; G373-M382 PolarHBondContact O-N 3.37Å
383A95.1Very high92.9Very high3 Ų363.9 Ų63.93%0.02534%0.339CS..EExtended strand (participates in β ladder)trans-130.3144.1-178.400000111.2S338 L339 F341 L370 H371 I372S338-A383 CarbonylContact C-O 3.48Å; S338-A383 WeakPolarHBondContact CA-O 3.3Å; L339-A383 HydrophobicContact CB-CB 4.34Å; L339-A383 PolarHBondContact N-O 2.81Å; L339-A383 PolarHBondContact O-N 3.03Å; F341-A383 HydrophobicContact CD2-CB 4.04Å; F341-A383 HydrophobicContact CE2-CB 3.62Å; L370-A383 HydrophobicContact CD1-CB 3.92Å; L370-A383 HydrophobicContact CD2-CB 4.18Å; L370-A383 HydrophobicContact CG-CB 4.05Å; H371-A383 CarbonylContact O-C 3.55Å; H371-A383 WeakPolarHBondContact O-CA 3.47Å; I372-A383 HydrophobicContact CB-CB 3.83Å; I372-A383 HydrophobicContact CD1-CB 4.06Å; I372-A383 HydrophobicContact CG1-CB 3.88Å
384Q95.4Very high92.9Very high99 Ų9963 Ų6346%0.46333%0.329SS..EExtended strand (participates in β ladder)trans-123.2128.4175.6-172.5174.213.300109.9H371 V386H371-Q384 PolarHBondContact N-O 2.87Å; H371-Q384 PolarHBondContact O-N 2.87Å; Q384-V386 WeakPolarHBondContact O-CG2 3.19Å; Q384-V386 PolarHBondContact O-N 2.78Å
385A95.4Very high93Very high0 Ų057.4 Ų57.40%029%0.293CS..EExtended strand (participates in β ladder)trans-77.3100.3178.600000110.4G336 M337 V411G336-A385 VanDerWaalsContact CA-O 3.29Å; G336-A385 WeakPolarHBondContact CA-O 3.46Å; G336-A385 PolarHBondContact N-O 2.79Å; M337-A385 PolarHBondContact O-N 2.78Å; A385-V411 HydrophobicContact CB-CG1 3.82Å; A385-V411 HydrophobicContact CB-CG2 3.82Å
386V94.2Very high93.2Very high53 Ų5359.3 Ų59.332%0.32130%0.295SS..  trans-92.5-44.2-170.3-1760000112.2L335 L369 H371 Q384L335-V386 WeakPolarHBondContact CD1-O 3.36Å; L369-V386 PolarHBondContact O-N 3.03Å; H371-V386 HydrophobicContact CB-CG2 3.9Å; Q384-V386 WeakPolarHBondContact O-CG2 3.19Å; Q384-V386 PolarHBondContact O-N 2.78Å
387N93.8Very high93.3Very high79 Ų7951.8 Ų51.842%0.42225%0.254SS..SBendtrans-131.5159.6-176.3-70.9-54.3000111.8D368 L369 V411D368-N387 PolarHBondContact O-ND2 3.48Å; L369-N387 HydrophobicContact CD2-CB 3.54Å; L369-N387 PolarHBondContact O-N 2.95Å; N387-V411 WeakPolarHBondContact O-CB 3.41Å; N387-V411 WeakPolarHBondContact O-CG1 3.46Å
388R95Very high93.4Very high112 Ų11252.5 Ų52.542%0.42325%0.253SS..SBendtrans-76.5142.2179-69174.660.7-158.5-2.8111.9L335 L369 V411 E412 H413L335-R388 HydrophobicContact CD1-CG 4.25Å; L335-R388 HydrophobicContact CD2-CG 4.34Å; L369-R388 WeakPolarHBondContact CD2-O 3.47Å; R388-V411 WeakPolarHBondContact CA-O 3.42Å; R388-E412 IonicContact CZ-OE2 3.27Å; R388-E412 IonicContact NE-OE2 3.9Å; R388-E412 PolarHBondContact NE-OE2 3.42Å; R388-E412 IonicContact NH2-OE1 3.72Å; R388-E412 IonicContact NH2-OE2 3.7Å; R388-E412 PolarHBondContact NH2-OE2 3.45Å; R388-H413 VanDerWaalsContact CD-CD2 3.4Å; R388-H413 WeakPolarHBondContact CD-CD2 3.24Å; R388-H413 WeakPolarHBondContact CD-NE2 3.48Å; R388-H413 PolarHBondContact NH1-CD2 2.77Å; R388-H413 PolarHBondContact NH1-NE2 3.34Å
389G95.4Very high93.4Very high22 Ų2253.7 Ų53.723%0.22725%0.247CC..EExtended strand (participates in β ladder)trans139.8-166177.200000112.3A410 V411G389-A410 CarbonylContact O-C 3.09Å; G389-A410 WeakPolarHBondContact O-CA 3.35Å; G389-V411 PolarHBondContact N-O 2.93Å; G389-V411 PolarHBondContact O-N 3.23Å
390L95.9Very high93.1Very high105 Ų10556.7 Ų56.755%0.5526%0.262SS..EExtended strand (participates in β ladder)trans-118.4124.6179176.764.3000109.3P408 A410L390-P408 HydrophobicContact CD1-CB 4Å; L390-A410 HydrophobicContact CD1-CB 4Å
391T95.4Very high92.2Very high1 Ų160 Ų601%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-120.2153.2169.7-169.70000110N365 R366 L369 L370 V409N365-T391 WeakPolarHBondContact OD1-CA 3.47Å; N365-T391 PolarHBondContact OD1-OG1 2.75Å; R366-T391 PolarHBondContact N-OG1 2.9Å; R366-T391 PolarHBondContact O-OG1 2.8Å; L369-T391 HydrophobicContact CB-CG2 4.45Å; L370-T391 HydrophobicContact CB-CG2 3.8Å; L370-T391 HydrophobicContact CD2-CG2 4.12Å; T391-V409 HydrophobicContact CG2-CB 3.9Å; T391-V409 HydrophobicContact CG2-CG1 4.46Å; T391-V409 PolarHBondContact N-O 3.02Å; T391-V409 PolarHBondContact O-N 3.22Å
392L95.7Very high91.5Very high67 Ų6762.8 Ų62.835%0.35132%0.321SS..EExtended strand (participates in β ladder)trans-107.3123.7176.1-172.472000108.4L364 N365 Y406L364-L392 WeakPolarHBondContact CA-O 3.47Å; N365-L392 PolarHBondContact N-O 2.77Å; N365-L392 PolarHBondContact OD1-N 2.81Å; L392-Y406 HydrophobicContact CD2-CD1 4.1Å; L392-Y406 HydrophobicContact CG-CD1 4.47Å
393V95.9Very high91.2Very high2 Ų259.6 Ų59.61%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-97.4116.5173.2-177.70000108.2L362 L364 L370 I372 L395 Y406 I407 V409L362-V393 HydrophobicContact CD1-CG1 3.66Å; L364-V393 HydrophobicContact CD2-CB 4.34Å; L364-V393 HydrophobicContact CD2-CG2 3.69Å; L370-V393 HydrophobicContact CD2-CG2 3.66Å; I372-V393 HydrophobicContact CD1-CG1 4.23Å; V393-L395 HydrophobicContact CG1-CD1 4.4Å; V393-Y406 CarbonylContact O-C 3.58Å; V393-Y406 VanDerWaalsContact O-CA 3.32Å; V393-Y406 WeakPolarHBondContact O-CA 3.11Å; V393-I407 PolarHBondContact N-O 3Å; V393-I407 PolarHBondContact O-N 3.24Å; V393-V409 HydrophobicContact CB-CG2 4.5Å; V393-V409 HydrophobicContact CG2-CB 4.48Å; V393-V409 HydrophobicContact CG2-CG2 3.55Å
394G94.6Very high91.1Very high3 Ų360.9 Ų60.93%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-107.312917300000110.9L362 A363L362-G394 WeakPolarHBondContact CA-O 3.44Å; A363-G394 PolarHBondContact N-O 3.15Å; A363-G394 PolarHBondContact O-N 3.25Å
395L94.8Very high91.1Very high0 Ų058.1 Ų58.10%031%0.305CS..EExtended strand (participates in β ladder)trans-127.4124.9175.8-80.7161.3000109.3V316 V343 Y361 L362 Y381 V393 A404 D405V316-L395 HydrophobicContact CB-CD1 4.44Å; V316-L395 HydrophobicContact CG1-CD1 3.94Å; V316-L395 HydrophobicContact CG2-CB 4.02Å; V316-L395 HydrophobicContact CG2-CD1 3.6Å; V316-L395 HydrophobicContact CG2-CG 4.45Å; V343-L395 HydrophobicContact CG2-CD1 3.85Å; Y361-L395 WeakPolarHBondContact O-CA 3.31Å; L362-L395 HydrophobicContact CB-CD2 3.8Å; L362-L395 HydrophobicContact CD1-CD1 4.45Å; L362-L395 HydrophobicContact CD1-CD2 3.7Å; L362-L395 HydrophobicContact CD1-CG 3.84Å; L362-L395 HydrophobicContact CG-CD2 4.33Å; Y381-L395 HydrophobicContact CD2-CD1 4.13Å; Y381-L395 HydrophobicContact CD2-CD2 4.06Å; Y381-L395 HydrophobicContact CE1-CD2 4.26Å; Y381-L395 HydrophobicContact CE2-CD1 4.23Å; Y381-L395 HydrophobicContact CE2-CD2 3.48Å; Y381-L395 VanDerWaalsContact CE2-CD2 3.48Å; V393-L395 HydrophobicContact CG1-CD1 4.4Å; L395-A404 CarbonylContact O-C 3.55Å; L395-A404 VanDerWaalsContact O-CA 3.31Å; L395-A404 WeakPolarHBondContact O-CA 3.29Å; L395-D405 PolarHBondContact N-O 2.94Å; L395-D405 PolarHBondContact O-N 3.4Å
396W92.8Very high91.1Very high58 Ų5864.3 Ų64.322%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-142.5157.1179.261.292.5000113.2L360 Y361 A363 R398 M403 A404L360-W396 WeakPolarHBondContact CA-O 3.48Å; Y361-W396 HydrophobicContact CD1-CD2 4.16Å; Y361-W396 AromaticContact CD1-CE2 3.38Å; Y361-W396 AromaticContact CD1-CH2 3.52Å; Y361-W396 HydrophobicContact CD1-CH2 3.52Å; Y361-W396 AromaticContact CD1-CZ2 3.04Å; Y361-W396 HydrophobicContact CD1-CZ2 3.04Å; Y361-W396 HydrophobicContact CD1-CZ3 4.22Å; Y361-W396 AromaticContact CD1-NE1 3.85Å; Y361-W396 AromaticContact CE1-CH2 3.65Å; Y361-W396 HydrophobicContact CE1-CH2 3.65Å; Y361-W396 AromaticContact CE1-CZ2 3.34Å; Y361-W396 HydrophobicContact CE1-CZ2 3.34Å; Y361-W396 HydrophobicContact CG-CZ2 4.07Å; Y361-W396 PolarHBondContact N-O 3.15Å; Y361-W396 PolarHBondContact O-N 3.22Å; Y361-W396 VanDerWaalsContact O-N 3.08Å; A363-W396 HydrophobicContact CB-CH2 3.41Å; A363-W396 VanDerWaalsContact CB-CH2 3.41Å; A363-W396 HydrophobicContact CB-CZ3 3.66Å; W396-R398 PolarHBondContact O-N 3.26Å; W396-M403 WeakPolarHBondContact CA-O 3.4Å; W396-M403 VanDerWaalsContact CB-O 3.32Å; W396-M403 WeakPolarHBondContact CB-O 3.49Å; W396-A404 HydrophobicContact CB-CB 3.6Å
397D89.6Confident91.1Very high5 Ų562.9 Ų62.93%0.02732%0.319CS..EExtended strand (participates in β ladder)trans-70.6124.1171.2-178.26.1000109.9R399 H400 M403D397-R399 PolarHBondContact O-N 3.41Å; D397-R399 PolarHBondContact OD1-N 2.68Å; D397-H400 HydrophobicContact CB-CB 4.38Å; D397-H400 CarbonylContact O-C 3.6Å; D397-H400 PolarHBondContact O-N 2.78Å; D397-H400 VanDerWaalsContact O-N 3.13Å; D397-H400 IonicContact OD2-CE1 3.52Å; D397-H400 IonicContact OD2-CG 2.63Å; D397-H400 IonicContact OD2-ND1 2.81Å; D397-H400 PolarHBondContact OD2-ND1 3.23Å; D397-M403 HydrophobicContact CB-CB 4.44Å; D397-M403 PolarHBondContact N-O 2.63Å; D397-M403 VanDerWaalsContact N-O 3.08Å
398R86.9Confident91.2Very high171 Ų17163.2 Ų63.265%0.64533%0.326SS*.SBendtrans-59.7-31178.4-172.1175.5-176.8173.82.8112.4Q359 W396Q359-R398 HydrophobicContact CB-CB 4.35Å; Q359-R398 WeakPolarHBondContact O-CB 3.4Å; Q359-R398 PolarHBondContact O-N 3.47Å; W396-R398 PolarHBondContact O-N 3.26Å
399R83.1Confident91.2Very high167 Ų16757.9 Ų57.963%0.6331%0.306SS*.SBendtrans-81.8-27.5178.8-65.4-175.4180177.61.1112.5D397D397-R399 PolarHBondContact O-N 3.41Å; D397-R399 PolarHBondContact OD1-N 2.68Å
400H82.7Confident91.3Very high113 Ų11358.3 Ų58.352%0.52331%0.307SS..  trans-133.279.6-178.1-50.4100.7000109.8D397 G402 M403D397-H400 HydrophobicContact CB-CB 4.38Å; D397-H400 CarbonylContact O-C 3.6Å; D397-H400 PolarHBondContact O-N 2.78Å; D397-H400 VanDerWaalsContact O-N 3.13Å; D397-H400 IonicContact OD2-CE1 3.52Å; D397-H400 IonicContact OD2-CG 2.63Å; D397-H400 IonicContact OD2-ND1 2.81Å; D397-H400 PolarHBondContact OD2-ND1 3.23Å; H400-G402 PolarHBondContact O-N 2.84Å; H400-M403 HydrophobicContact CB-CB 4.44Å; H400-M403 WeakPolarHBondContact O-CB 3.15Å; H400-M403 PolarHBondContact O-N 2.96Å
401P74.9Confident91.3Very high87 Ų8753.3 Ų53.357%0.56528%0.281SS*.THydrogen-bonded Turntrans-59.3-21.2-175-25.834.8000114.8M403P401-M403 PolarHBondContact O-N 2.96Å
402G79.3Confident91.3Very high85 Ų8556.8 Ų56.888%0.87630%0.297SS*.THydrogen-bonded Turntrans-68.6-14172.900000114.3H400 A404H400-G402 PolarHBondContact O-N 2.84Å; G402-A404 PolarHBondContact O-N 3.09Å
403M89.6Confident91.2Very high20 Ų2056 Ų5610%0.09929%0.291CS..SBendtrans-94.787.2173.1-171-179-73.200109.2V311 L314 F345 W396 D397 H400 P401V311-M403 HydrophobicContact CB-CE 3.57Å; V311-M403 HydrophobicContact CB-SD 4.06Å; V311-M403 HydrophobicContact CG1-CE 3.42Å; V311-M403 VanDerWaalsContact CG1-CE 3.42Å; V311-M403 HydrophobicContact CG1-SD 3.48Å; V311-M403 WeakPolarHBondContact CG1-SD 3.39Å; V311-M403 WeakPolarHBondContact O-CE 3.4Å; L314-M403 HydrophobicContact CB-CG 4.43Å; L314-M403 HydrophobicContact CD2-CG 3.99Å; L314-M403 WeakPolarHBondContact CD2-O 3.32Å; L314-M403 HydrophobicContact CG-CG 4.18Å; F345-M403 HydrophobicContact CD1-SD 4.42Å; W396-M403 WeakPolarHBondContact CA-O 3.4Å; W396-M403 VanDerWaalsContact CB-O 3.32Å; W396-M403 WeakPolarHBondContact CB-O 3.49Å; D397-M403 HydrophobicContact CB-CB 4.44Å; D397-M403 PolarHBondContact N-O 2.63Å; D397-M403 VanDerWaalsContact N-O 3.08Å; H400-M403 HydrophobicContact CB-CB 4.44Å; H400-M403 WeakPolarHBondContact O-CB 3.15Å; H400-M403 PolarHBondContact O-N 2.96Å; P401-M403 PolarHBondContact O-N 2.96Å
404A92.9Very high91.1Very high30 Ų3056.7 Ų56.725%0.24830%0.297CS..EExtended strand (participates in β ladder)trans-132.8151.8-175.700000111L395 W396 G402 Y406L395-A404 CarbonylContact O-C 3.55Å; L395-A404 VanDerWaalsContact O-CA 3.31Å; L395-A404 WeakPolarHBondContact O-CA 3.29Å; W396-A404 HydrophobicContact CB-CB 3.6Å; G402-A404 PolarHBondContact O-N 3.09Å; A404-Y406 HydrophobicContact CB-CE2 3.73Å
405D95.6Very high91.1Very high41 Ų4156.6 Ų56.622%0.21930%0.296CS..EExtended strand (participates in β ladder)trans-132.5147.8166.2-170.315.8000109.4L314 R315 V316 L395L314-D405 HydrophobicContact CD1-CB 3.37Å; L314-D405 HydrophobicContact CG-CB 4.46Å; R315-D405 WeakPolarHBondContact CA-OD2 3.39Å; V316-D405 HydrophobicContact CG2-CB 4.03Å; V316-D405 PolarHBondContact N-OD2 3.22Å; L395-D405 PolarHBondContact N-O 2.94Å; L395-D405 PolarHBondContact O-N 3.4Å
406Y94.6Very high91Very high129 Ų12961.2 Ų61.251%0.50632%0.318SS..EExtended strand (participates in β ladder)trans-130.4120.5-172.8-61.9-87.7000109.6L392 V393 A404L392-Y406 HydrophobicContact CD2-CD1 4.1Å; L392-Y406 HydrophobicContact CG-CD1 4.47Å; V393-Y406 CarbonylContact O-C 3.58Å; V393-Y406 VanDerWaalsContact O-CA 3.32Å; V393-Y406 WeakPolarHBondContact O-CA 3.11Å; A404-Y406 HydrophobicContact CB-CE2 3.73Å
407I95.3Very high90.9Very high23 Ų2359.9 Ų59.912%0.11832%0.317CS..EExtended strand (participates in β ladder)trans-112.6123.6178-63.1-177.5000110V316 F341 V393 V409V316-I407 HydrophobicContact CB-CD1 3.39Å; V316-I407 HydrophobicContact CB-CG1 4.14Å; V316-I407 HydrophobicContact CG1-CD1 3.33Å; V316-I407 HydrophobicContact CG1-CG1 4.41Å; F341-I407 HydrophobicContact CD1-CD1 4.15Å; F341-I407 HydrophobicContact CE1-CD1 4.28Å; F341-I407 HydrophobicContact CE1-CG2 4.45Å; V393-I407 PolarHBondContact N-O 3Å; V393-I407 PolarHBondContact O-N 3.24Å; I407-V409 HydrophobicContact CG2-CG2 4.07Å
408P95.5Very high90.8Very high87 Ų8763.3 Ų63.357%0.56534%0.335SS*.EExtended strand (participates in β ladder)trans-73.6127.6165.630.3-31.7000110.1L390L390-P408 HydrophobicContact CD1-CB 4Å
409V95.8Very high90.6Very high0 Ų055.6 Ų55.60%031%0.307CS..EExtended strand (participates in β ladder)trans-115.693.8176.8-176.20000108.1F333 L339 F341 L370 T391 V393 I407 V411F333-V409 HydrophobicContact CD2-CG1 3.8Å; F333-V409 HydrophobicContact CE2-CG1 4.15Å; L339-V409 HydrophobicContact CD1-CG1 4.46Å; F341-V409 HydrophobicContact CE1-CG2 4.44Å; F341-V409 HydrophobicContact CZ-CG2 3.78Å; L370-V409 HydrophobicContact CD1-CG1 4.12Å; L370-V409 HydrophobicContact CD2-CB 4.42Å; L370-V409 HydrophobicContact CD2-CG1 4.21Å; L370-V409 HydrophobicContact CD2-CG2 4.31Å; T391-V409 HydrophobicContact CG2-CB 3.9Å; T391-V409 HydrophobicContact CG2-CG1 4.46Å; T391-V409 PolarHBondContact N-O 3.02Å; T391-V409 PolarHBondContact O-N 3.22Å; V393-V409 HydrophobicContact CB-CG2 4.5Å; V393-V409 HydrophobicContact CG2-CB 4.48Å; V393-V409 HydrophobicContact CG2-CG2 3.55Å; I407-V409 HydrophobicContact CG2-CG2 4.07Å; V409-V411 HydrophobicContact CG1-CG2 4.21Å
410A96.3Very high90.5Very high30 Ų3054.6 Ų54.625%0.24831%0.307CS..EExtended strand (participates in β ladder)trans-83.8132.8171.300000109.5A332 F333 G389 L390A332-A410 HydrophobicContact CB-CB 3.82Å; A332-A410 WeakPolarHBondContact CB-O 3.49Å; F333-A410 WeakPolarHBondContact CD2-O 3.49Å; F333-A410 PolarHBondContact N-O 3.04Å; G389-A410 CarbonylContact O-C 3.09Å; G389-A410 WeakPolarHBondContact O-CA 3.35Å; L390-A410 HydrophobicContact CD1-CB 4Å
411V95.9Very high90.6Very high1 Ų155.3 Ų55.31%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-124.9125179.7179.40000109.8F333 L335 A385 N387 R388 G389 V409F333-V411 WeakPolarHBondContact O-CA 3.46Å; L335-V411 HydrophobicContact CB-CG1 4.21Å; L335-V411 HydrophobicContact CD1-CG1 3.7Å; A385-V411 HydrophobicContact CB-CG1 3.82Å; A385-V411 HydrophobicContact CB-CG2 3.82Å; N387-V411 WeakPolarHBondContact O-CB 3.41Å; N387-V411 WeakPolarHBondContact O-CG1 3.46Å; R388-V411 WeakPolarHBondContact CA-O 3.42Å; G389-V411 PolarHBondContact N-O 2.93Å; G389-V411 PolarHBondContact O-N 3.23Å; V409-V411 HydrophobicContact CG1-CG2 4.21Å
412E95.3Very high91.2Very high74 Ų7451.1 Ų51.135%0.34629%0.287SS..EExtended strand (participates in β ladder)trans-139.3168.4178.3-74.3-65.3171.200112.4A332 F333 L335 R388 A414A332-E412 HydrophobicContact CB-CB 3.8Å; A332-E412 HydrophobicContact CB-CG 3.83Å; F333-E412 PolarHBondContact O-N 3.44Å; L335-E412 PolarHBondContact N-O 2.88Å; R388-E412 IonicContact CZ-OE2 3.27Å; R388-E412 IonicContact NE-OE2 3.9Å; R388-E412 PolarHBondContact NE-OE2 3.42Å; R388-E412 IonicContact NH2-OE1 3.72Å; R388-E412 IonicContact NH2-OE2 3.7Å; R388-E412 PolarHBondContact NH2-OE2 3.45Å; E412-A414 PolarHBondContact O-N 3.02Å
413H94.3Very high91.6Very high49 Ų4948.4 Ų48.423%0.22725%0.251CS..  trans-69.1127.6170-66.1-60.3000110.3R388R388-H413 VanDerWaalsContact CD-CD2 3.4Å; R388-H413 WeakPolarHBondContact CD-CD2 3.24Å; R388-H413 WeakPolarHBondContact CD-NE2 3.48Å; R388-H413 PolarHBondContact NH1-CD2 2.77Å; R388-H413 PolarHBondContact NH1-NE2 3.34Å
414A93.6Very high91.6Very high18 Ų1849 Ų4915%0.14926%0.255CS..  trans-92.5-12.3173.300000113.7P334 E412 T432 L434 T481P334-A414 HydrophobicContact CB-CB 3.7Å; P334-A414 HydrophobicContact CG-CB 3.89Å; E412-A414 PolarHBondContact O-N 3.02Å; A414-T432 PolarHBondContact O-OG1 2.88Å; A414-L434 HydrophobicContact CB-CD1 3.84Å; A414-T481 HydrophobicContact CB-CG2 4.26Å
415I94.2Very high91.1Very high1 Ų148.1 Ų48.11%0.00525%0.25CC..SBendtrans-94.5122.9176.3-61.6171.5000108F430 S431 W444 I471 H473 T481 R483I415-F430 HydrophobicContact CG2-CB 4.13Å; I415-F430 HydrophobicContact CG2-CD1 3.55Å; I415-F430 HydrophobicContact CG2-CE1 4.34Å; I415-F430 HydrophobicContact CG2-CG 4.21Å; I415-S431 CarbonylContact C-O 3.57Å; I415-S431 WeakPolarHBondContact CA-O 3.47Å; I415-W444 HydrophobicContact CD1-CZ3 4.09Å; I415-W444 HydrophobicContact CG1-CH2 4.44Å; I415-W444 HydrophobicContact CG1-CZ3 4.12Å; I415-W444 HydrophobicContact CG2-CH2 4.09Å; I415-W444 HydrophobicContact CG2-CZ3 3.82Å; I415-I471 HydrophobicContact CD1-CG2 4.31Å; I415-I471 HydrophobicContact CG2-CG2 4.46Å; I415-H473 HydrophobicContact CD1-CB 3.95Å; I415-H473 HydrophobicContact CG1-CB 4.19Å; I415-T481 HydrophobicContact CD1-CG2 4.17Å; I415-T481 HydrophobicContact CG1-CG2 4.05Å; I415-R483 HydrophobicContact CB-CB 4.14Å; I415-R483 HydrophobicContact CD1-CB 4.24Å; I415-R483 HydrophobicContact CG2-CB 4.35Å; I415-R483 WeakPolarHBondContact O-CD 3.36Å; I415-R483 PolarHBondContact O-NH1 3.14Å
416E92.2Very high90.8Very high97 Ų9746.2 Ų46.245%0.45324%0.24SC..BIsolated β-bridgetrans-106.1162.6174.3-65.3-176.9168.400110.8F430 S431E416-F430 CarbonylContact O-C 3.51Å; E416-F430 VanDerWaalsContact O-CA 3.23Å; E416-F430 WeakPolarHBondContact O-CA 3.41Å; E416-S431 PolarHBondContact N-O 3.38Å; E416-S431 PolarHBondContact O-N 2.85Å
417P92.1Very high90.5Very high30 Ų3040.1 Ų40.120%0.19522%0.216CC..SBendcis-83.9-176-7.738.2-40000112.7T419 I428 R483 K526P417-T419 PolarHBondContact O-N 2.89Å; P417-I428 HydrophobicContact CG-CG2 4.24Å; P417-R483 PolarHBondContact O-NE 2.87Å; P417-R483 PolarHBondContact O-NH1 2.78Å; P417-K526 HydrophobicContact CG-CB 4.34Å
418D85.9Confident90.4Very high76 Ų7639 Ų3941%0.40621%0.21SC..  trans-67.1129.3169.9-160.55.7000113.3K420 R483D418-K420 PolarHBondContact OD1-N 2.76Å; D418-K420 VanDerWaalsContact OD2-CD 3.22Å; D418-K420 WeakPolarHBondContact OD2-CD 3.31Å; D418-K420 VanDerWaalsContact OD2-CE 3.25Å; D418-K420 WeakPolarHBondContact OD2-CE 3.2Å; D418-K420 IonicContact OD2-NZ 3.39Å; D418-R483 IonicContact OD1-CZ 2.74Å; D418-R483 IonicContact OD1-NH2 3.9Å; D418-R483 PolarHBondContact OD1-NH2 3.17Å
419T84.3Confident90.3Very high10 Ų1034.9 Ų34.96%0.06118%0.183CC..  trans-95.64.3-172.350.90000111.9P417 L421 T422 F430 R483 E484 V485P417-T419 PolarHBondContact O-N 2.89Å; T419-L421 PolarHBondContact O-N 3.44Å; T419-T422 PolarHBondContact O-OG1 2.99Å; T419-F430 HydrophobicContact CG2-CE1 3.62Å; T419-F430 HydrophobicContact CG2-CZ 4.06Å; T419-R483 PolarHBondContact OG1-NE 3.42Å; T419-E484 PolarHBondContact OG1-O 2.79Å; T419-V485 HydrophobicContact CG2-CG1 4.26Å; T419-V485 HydrophobicContact CG2-CG2 3.97Å
420K81.4Confident90.3Very high146 Ų14634.9 Ų34.964%0.63518%0.183SC*.THydrogen-bonded Turntrans-52.8140.7170-70.7179.3-169.71730110.5D418 K526D418-K420 PolarHBondContact OD1-N 2.76Å; D418-K420 VanDerWaalsContact OD2-CD 3.22Å; D418-K420 WeakPolarHBondContact OD2-CD 3.31Å; D418-K420 VanDerWaalsContact OD2-CE 3.25Å; D418-K420 WeakPolarHBondContact OD2-CE 3.2Å; D418-K420 IonicContact OD2-NZ 3.39Å; K420-K526 PolarHBondContact O-NZ 3.06Å
421L83.2Confident90.1Very high127 Ų12735.5 Ų35.567%0.66519%0.185SC*.THydrogen-bonded Turntrans58.347.3178.7-54.7173000113.6T419 F423 K526T419-L421 PolarHBondContact O-N 3.44Å; L421-F423 HydrophobicContact CB-CE2 4.26Å; L421-F423 WeakPolarHBondContact O-CD2 3.4Å; L421-F423 VanDerWaalsContact O-CE2 3.31Å; L421-F423 WeakPolarHBondContact O-CE2 3.15Å; L421-K526 PolarHBondContact O-NZ 2.93Å
422T88.7Confident89.9Confident0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-88.9137174.4-61.60000109.8T419 D426 I428 A463 V485 V486 V487 N488 K526T419-T422 PolarHBondContact O-OG1 2.99Å; T422-D426 WeakPolarHBondContact CA-OD2 3.33Å; T422-D426 HydrophobicContact CG2-CB 4.07Å; T422-I428 HydrophobicContact CG2-CD1 3.78Å; T422-A463 HydrophobicContact CG2-CB 4.21Å; T422-V485 HydrophobicContact CG2-CG1 4.46Å; T422-V486 WeakPolarHBondContact CB-O 3.36Å; T422-V487 HydrophobicContact CG2-CG2 4.14Å; T422-N488 PolarHBondContact O-N 2.88Å; T422-K526 PolarHBondContact OG1-NZ 2.69Å
423F87.9Confident89.7Confident27 Ų2736.2 Ų36.212%0.11819%0.191CC..EExtended strand (participates in β ladder)trans-120.2159.1-179.8-60.6-83.9000111.2L421 G425 D426 A463 N488L421-F423 HydrophobicContact CB-CE2 4.26Å; L421-F423 WeakPolarHBondContact O-CD2 3.4Å; L421-F423 VanDerWaalsContact O-CE2 3.31Å; L421-F423 WeakPolarHBondContact O-CE2 3.15Å; F423-G425 PolarHBondContact O-N 2.77Å; F423-D426 PolarHBondContact N-OD2 2.97Å; F423-D426 VanDerWaalsContact O-CB 3.29Å; F423-D426 WeakPolarHBondContact O-CB 3.45Å; F423-D426 PolarHBondContact O-N 3.45Å; F423-A463 VanDerWaalsContact O-CB 3.28Å; F423-A463 WeakPolarHBondContact O-CB 3.38Å; F423-N488 WeakPolarHBondContact CA-O 3.3Å; F423-N488 HydrophobicContact CD1-CB 3.81Å; F423-N488 HydrophobicContact CE1-CB 3.92Å
424V88.4Confident89.6Confident32 Ų3234.1 Ų34.119%0.19418%0.181CC..THydrogen-bonded Turntrans-55.5130.8170.21780000109.9R464 P466 V487 N488 T518V424-R464 WeakPolarHBondContact CG1-O 3.44Å; V424-P466 HydrophobicContact CG2-CG 3.88Å; V424-V487 HydrophobicContact CG2-CG1 3.87Å; V424-N488 PolarHBondContact N-O 2.77Å; V424-N488 VanDerWaalsContact N-O 3.08Å; V424-T518 WeakPolarHBondContact O-CB 3.41Å; V424-T518 PolarHBondContact O-OG1 3.4Å
425G83.3Confident89.6Confident12 Ų1234.3 Ų34.312%0.12418%0.18CC..THydrogen-bonded Turntrans94.5-9.7-174.700000115F423 A463F423-G425 PolarHBondContact O-N 2.77Å; G425-A463 PolarHBondContact N-O 2.82Å
426D87.7Confident89.5Confident2 Ų235 Ų351%0.01119%0.186CC..  trans-69.5144.4173.1-72.4-9.7000111.2T422 F423 A463 N524 K526T422-D426 WeakPolarHBondContact CA-OD2 3.33Å; T422-D426 HydrophobicContact CG2-CB 4.07Å; F423-D426 PolarHBondContact N-OD2 2.97Å; F423-D426 VanDerWaalsContact O-CB 3.29Å; F423-D426 WeakPolarHBondContact O-CB 3.45Å; F423-D426 PolarHBondContact O-N 3.45Å; D426-A463 HydrophobicContact CB-CB 4.43Å; D426-A463 PolarHBondContact O-N 2.89Å; D426-N524 CarbonylContact C-O 3.55Å; D426-N524 VanDerWaalsContact CA-O 3.29Å; D426-N524 WeakPolarHBondContact CA-O 3.5Å; D426-K526 WeakPolarHBondContact OD2-CE 3.4Å; D426-K526 IonicContact OD2-NZ 3.12Å
427I89.6Confident89.4Confident1 Ų136.8 Ų36.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-113.5126174.6-59.9169.2000107.4V460 G461 V462 N524 L525 K526 I537 P543 F572I427-V460 HydrophobicContact CG2-CG2 3.96Å; I427-G461 CarbonylContact C-O 3.53Å; I427-G461 WeakPolarHBondContact CA-O 3.33Å; I427-V462 HydrophobicContact CG1-CG2 4.23Å; I427-N524 PolarHBondContact N-O 2.99Å; I427-L525 HydrophobicContact CB-CD1 4.02Å; I427-L525 HydrophobicContact CG2-CD1 3.83Å; I427-L525 CarbonylContact O-C 3.46Å; I427-L525 WeakPolarHBondContact O-CA 3.46Å; I427-K526 PolarHBondContact O-N 2.91Å; I427-I537 HydrophobicContact CD1-CG2 4.15Å; I427-I537 HydrophobicContact CG2-CD1 3.7Å; I427-I537 HydrophobicContact CG2-CG1 4.01Å; I427-P543 HydrophobicContact CD1-CB 4.04Å; I427-P543 HydrophobicContact CD1-CG 3.81Å; I427-P543 HydrophobicContact CG1-CB 4.4Å; I427-F572 HydrophobicContact CD1-CD1 4.36Å; I427-F572 HydrophobicContact CD1-CD2 3.8Å; I427-F572 HydrophobicContact CD1-CE1 3.75Å; I427-F572 HydrophobicContact CD1-CE2 3.12Å; I427-F572 HydrophobicContact CD1-CG 4.38Å; I427-F572 HydrophobicContact CD1-CZ 3.1Å
428I92.9Very high89.3Confident0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-118.3114-174.3-45.6173.4000108.4P417 T422 F430 L452 V460 G461 V485 K526P417-I428 HydrophobicContact CG-CG2 4.24Å; T422-I428 HydrophobicContact CG2-CD1 3.78Å; I428-F430 HydrophobicContact CB-CD2 4.2Å; I428-F430 HydrophobicContact CB-CE2 3.71Å; I428-F430 HydrophobicContact CB-CZ 3.91Å; I428-F430 HydrophobicContact CD1-CE2 4.3Å; I428-F430 HydrophobicContact CD1-CZ 3.91Å; I428-F430 HydrophobicContact CG2-CD1 3.95Å; I428-F430 HydrophobicContact CG2-CD2 3.98Å; I428-F430 HydrophobicContact CG2-CE1 3.63Å; I428-F430 HydrophobicContact CG2-CE2 3.66Å; I428-F430 HydrophobicContact CG2-CG 4.15Å; I428-F430 HydrophobicContact CG2-CZ 3.48Å; I428-F430 VanDerWaalsContact CG2-CZ 3.48Å; I428-F430 PolarHBondContact O-N 2.95Å; I428-L452 HydrophobicContact CD1-CD1 4.14Å; I428-V460 WeakPolarHBondContact O-CA 3.44Å; I428-G461 PolarHBondContact N-O 3.49Å; I428-G461 PolarHBondContact O-N 3.05Å; I428-V485 HydrophobicContact CD1-CG1 3.9Å; I428-K526 HydrophobicContact CG1-CB 4.37Å; I428-K526 HydrophobicContact CG1-CD 4.5Å; I428-K526 HydrophobicContact CG2-CB 4.24Å
429C93.5Very high89.5Confident0 Ų041.6 Ų41.60%022%0.224CC..EExtended strand (participates in β ladder)trans-9091174.2-72.90000108.8K526 C529C429-K526 PolarHBondContact N-O 3.04Å; C429-C529 HydrophobicContact CB-CB 3.86Å; C429-C529 WeakPolarHBondContact CB-SG 3.43Å; C429-C529 VanDerWaalsContact SG-CA 3.57Å; C429-C529 WeakPolarHBondContact SG-CB 3.36Å; C429-C529 CovalentContact SG-SG 2.01Å; C429-C529 PolarHBondContact SG-SG 2.88Å
430F95.3Very high89.7Confident0 Ų047 Ų470%025%0.249CC..  trans-70.2142.1178.6-65.2-78.7000111I415 E416 T419 I428 W444 L452 G459 I471 V485 Q533I415-F430 HydrophobicContact CG2-CB 4.13Å; I415-F430 HydrophobicContact CG2-CD1 3.55Å; I415-F430 HydrophobicContact CG2-CE1 4.34Å; I415-F430 HydrophobicContact CG2-CG 4.21Å; E416-F430 CarbonylContact O-C 3.51Å; E416-F430 VanDerWaalsContact O-CA 3.23Å; E416-F430 WeakPolarHBondContact O-CA 3.41Å; T419-F430 HydrophobicContact CG2-CE1 3.62Å; T419-F430 HydrophobicContact CG2-CZ 4.06Å; I428-F430 HydrophobicContact CB-CD2 4.2Å; I428-F430 HydrophobicContact CB-CE2 3.71Å; I428-F430 HydrophobicContact CB-CZ 3.91Å; I428-F430 HydrophobicContact CD1-CE2 4.3Å; I428-F430 HydrophobicContact CD1-CZ 3.91Å; I428-F430 HydrophobicContact CG2-CD1 3.95Å; I428-F430 HydrophobicContact CG2-CD2 3.98Å; I428-F430 HydrophobicContact CG2-CE1 3.63Å; I428-F430 HydrophobicContact CG2-CE2 3.66Å; I428-F430 HydrophobicContact CG2-CG 4.15Å; I428-F430 HydrophobicContact CG2-CZ 3.48Å; I428-F430 VanDerWaalsContact CG2-CZ 3.48Å; I428-F430 PolarHBondContact O-N 2.95Å; F430-W444 HydrophobicContact CB-CE3 4.36Å; F430-W444 HydrophobicContact CB-CH2 3.64Å; F430-W444 HydrophobicContact CB-CZ2 4.37Å; F430-W444 HydrophobicContact CB-CZ3 3.63Å; F430-W444 HydrophobicContact CG-CZ3 4.41Å; F430-L452 HydrophobicContact CE2-CD2 3.97Å; F430-L452 HydrophobicContact CZ-CD2 4.13Å; F430-G459 WeakPolarHBondContact CB-O 3.45Å; F430-G459 VanDerWaalsContact CD2-O 3.24Å; F430-G459 WeakPolarHBondContact CD2-O 3.42Å; F430-I471 HydrophobicContact CB-CD1 4.17Å; F430-I471 HydrophobicContact CD1-CD1 4.16Å; F430-I471 HydrophobicContact CD1-CG2 4.3Å; F430-I471 HydrophobicContact CD2-CD1 3.23Å; F430-I471 HydrophobicContact CE1-CD1 4.34Å; F430-I471 HydrophobicContact CE1-CG2 3.91Å; F430-I471 HydrophobicContact CE2-CD1 3.47Å; F430-I471 VanDerWaalsContact CE2-CD1 3.47Å; F430-I471 HydrophobicContact CG-CD1 3.59Å; F430-I471 HydrophobicContact CZ-CD1 4.02Å; F430-I471 HydrophobicContact CZ-CG2 4.04Å; F430-V485 HydrophobicContact CE1-CG2 4.27Å; F430-V485 HydrophobicContact CZ-CG2 3.78Å; F430-Q533 PolarHBondContact O-NE2 2.64Å
431S92.3Very high90.1Very high42 Ų4245.3 Ų45.329%0.29425%0.253SS..BIsolated β-bridgetrans-138.7154.917760.10000110.6I415 E416I415-S431 CarbonylContact C-O 3.57Å; I415-S431 WeakPolarHBondContact CA-O 3.47Å; E416-S431 PolarHBondContact N-O 3.38Å; E416-S431 PolarHBondContact O-N 2.85Å
432T92.4Very high90.5Very high30 Ų3039.7 Ų39.718%0.18423%0.225CC..  trans-145.1151.5170.8174.90000108.6A414 L434 W444 H473A414-T432 PolarHBondContact O-OG1 2.88Å; T432-L434 WeakPolarHBondContact OG1-CB 3.22Å; T432-L434 WeakPolarHBondContact OG1-CG 3.43Å; T432-L434 PolarHBondContact OG1-N 2.92Å; T432-W444 HydrophobicContact CG2-CH2 4.15Å; T432-W444 HydrophobicContact CG2-CZ2 3.97Å; T432-H473 WeakPolarHBondContact CG2-NE2 3.25Å
433H91.1Very high90.8Very high61 Ų6143.7 Ų43.728%0.28225%0.246SC..  trans-89.9-5.7174.9-60.6-40.8000113T324 A325T324-H433 CarbonylContact C-O 3.54Å; T324-H433 WeakPolarHBondContact CA-O 3.17Å; T324-H433 HydrophobicContact CG2-CB 4.41Å; A325-H433 PolarHBondContact N-O 2.81Å
434L92.8Very high91.1Very high4 Ų443 Ų432%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-74.2134.1-177.1-62.5168000111.3L322 Y323 L330 P334 A414 T432 I475 V479 T481L322-L434 HydrophobicContact CD2-CD2 4.45Å; Y323-L434 WeakPolarHBondContact O-CA 3.27Å; L330-L434 HydrophobicContact CD1-CD2 3.58Å; L330-L434 HydrophobicContact CD2-CD2 4.26Å; P334-L434 HydrophobicContact CB-CD1 4.41Å; P334-L434 HydrophobicContact CG-CD1 3.86Å; P334-L434 HydrophobicContact CG-CD2 4.29Å; A414-L434 HydrophobicContact CB-CD1 3.84Å; T432-L434 WeakPolarHBondContact OG1-CB 3.22Å; T432-L434 WeakPolarHBondContact OG1-CG 3.43Å; T432-L434 PolarHBondContact OG1-N 2.92Å; L434-I475 HydrophobicContact CB-CD1 3.63Å; L434-V479 HydrophobicContact CD1-CG1 3.97Å; L434-V479 HydrophobicContact CD1-CG2 4.44Å; L434-V479 HydrophobicContact CD2-CG1 4.44Å; L434-T481 HydrophobicContact CD1-CG2 4.28Å
435V92.8Very high91.4Very high22 Ų2245 Ų4513%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-136.1167.7177.1-63.40000111Y323 T324 A325 E440Y323-V435 WeakPolarHBondContact CB-O 3.3Å; Y323-V435 PolarHBondContact O-N 3.18Å; T324-V435 VanDerWaalsContact C-CG2 3.49Å; A325-V435 HydrophobicContact CB-CG1 4.44Å; V435-E440 WeakPolarHBondContact CA-O 3.23Å
436S92.2Very high92Very high17 Ų1746.2 Ų46.212%0.11925%0.254CS..  trans-71.2171.317182.70000111.7H438 G439 E440S436-H438 PolarHBondContact O-N 3.48Å; S436-H438 VanDerWaalsContact O-N 3.15Å; S436-H438 PolarHBondContact OG-N 3.39Å; S436-G439 PolarHBondContact O-N 2.93Å; S436-G439 PolarHBondContact OG-N 2.79Å; S436-E440 PolarHBondContact N-O 2.85Å; S436-E440 WeakPolarHBondContact OG-CB 3.31Å; S436-E440 PolarHBondContact OG-N 3.02Å
437Q90.4Very high92.3Very high134 Ų13449.5 Ų49.563%0.62628%0.277SS*.THydrogen-bonded Turntrans-57.1-28.3173.2-178.3175.5-5.700112.7Y323Y323-Q437 HydrophobicContact CD2-CB 4.22Å; Y323-Q437 HydrophobicContact CE1-CB 4.37Å; Y323-Q437 HydrophobicContact CE1-CG 4.12Å; Y323-Q437 HydrophobicContact CE2-CB 3.79Å; Y323-Q437 HydrophobicContact CE2-CG 4.27Å
438H90.1Very high92.5Very high158 Ų15850.3 Ų50.373%0.73128%0.284SS*.THydrogen-bonded Turntrans-912.5177.8-59-61000113.2S436 E440S436-H438 PolarHBondContact O-N 3.48Å; S436-H438 VanDerWaalsContact O-N 3.15Å; S436-H438 PolarHBondContact OG-N 3.39Å; H438-E440 HydrophobicContact CB-CG 4.41Å
439G88.8Confident92.5Very high49 Ų4954.6 Ų54.651%0.50531%0.307SS..SBendtrans8313.5-179.800000114.7S436S436-G439 PolarHBondContact O-N 2.93Å; S436-G439 PolarHBondContact OG-N 2.79Å
440E90Very high92.4Very high124 Ų12460 Ų6058%0.57934%0.335SS*.  trans-81.4145.1-179.7-58.8179.1154.400111.6V435 S436 H438V435-E440 WeakPolarHBondContact CA-O 3.23Å; S436-E440 PolarHBondContact N-O 2.85Å; S436-E440 WeakPolarHBondContact OG-CB 3.31Å; S436-E440 PolarHBondContact OG-N 3.02Å; H438-E440 HydrophobicContact CB-CG 4.41Å
441P89.1Confident92.4Very high110 Ų11061 Ų6171%0.71434%0.341SS*.  trans-71.9156.9175.831.1-34.9000112
442G91.5Very high92.5Very high9 Ų959 Ų599%0.09333%0.327CS..  trans-84.1-17317400000113.8H473 D474G442-H473 WeakPolarHBondContact CA-NE2 3.43Å; G442-D474 CarbonylContact C-O 3.59Å; G442-D474 VanDerWaalsContact CA-O 3.3Å; G442-D474 WeakPolarHBondContact CA-O 3.49Å
443I94.1Very high92.5Very high84 Ų8460.1 Ų60.143%0.43133%0.33SS..EExtended strand (participates in β ladder)trans-108.9139.7-179.1-56.4171.4000109.5I456 D474I443-I456 HydrophobicContact CG2-CG2 3.54Å; I443-D474 PolarHBondContact N-O 3.34Å; I443-D474 PolarHBondContact O-N 3.18Å
444W95.3Very high92.7Very high13 Ų1358 Ų585%0.04932%0.321CS..EExtended strand (participates in β ladder)trans-97.3139.3177.2-6187.6000111.9I415 F430 T432 T454 I456 G459 I471 F472 H473I415-W444 HydrophobicContact CD1-CZ3 4.09Å; I415-W444 HydrophobicContact CG1-CH2 4.44Å; I415-W444 HydrophobicContact CG1-CZ3 4.12Å; I415-W444 HydrophobicContact CG2-CH2 4.09Å; I415-W444 HydrophobicContact CG2-CZ3 3.82Å; F430-W444 HydrophobicContact CB-CE3 4.36Å; F430-W444 HydrophobicContact CB-CH2 3.64Å; F430-W444 HydrophobicContact CB-CZ2 4.37Å; F430-W444 HydrophobicContact CB-CZ3 3.63Å; F430-W444 HydrophobicContact CG-CZ3 4.41Å; T432-W444 HydrophobicContact CG2-CH2 4.15Å; T432-W444 HydrophobicContact CG2-CZ2 3.97Å; W444-T454 HydrophobicContact CB-CG2 4.47Å; W444-I456 WeakPolarHBondContact CB-O 3.2Å; W444-I456 PolarHBondContact N-O 2.74Å; W444-I456 WeakPolarHBondContact O-CG2 3.36Å; W444-G459 VanDerWaalsContact CD2-CA 3.48Å; W444-I471 HydrophobicContact CE3-CD1 3.64Å; W444-I471 HydrophobicContact CE3-CG1 3.93Å; W444-I471 HydrophobicContact CZ3-CD1 3.96Å; W444-I471 HydrophobicContact CZ3-CG1 4.35Å; W444-F472 WeakPolarHBondContact CA-O 3.33Å; W444-H473 AromaticContact CD2-CD2 3.72Å; W444-H473 AromaticContact CE2-CD2 3.47Å; W444-H473 VanDerWaalsContact CE2-CD2 3.47Å; W444-H473 HydrophobicContact CE3-CB 4.1Å; W444-H473 HydrophobicContact CH2-CB 4.45Å; W444-H473 AromaticContact CZ2-CD2 3.66Å; W444-H473 HydrophobicContact CZ3-CB 4.05Å; W444-H473 AromaticContact NE1-CD2 3.81Å
445M94.9Very high92.7Very high73 Ų7359 Ų5936%0.3633%0.327SS..EExtended strand (participates in β ladder)trans-137.5153.4176.6-63.5174.1-80.800110.8I471 F472 D474M445-I471 WeakPolarHBondContact O-CA 3.5Å; M445-F472 HydrophobicContact CB-CB 4.23Å; M445-F472 HydrophobicContact CE-CB 4.44Å; M445-F472 PolarHBondContact N-O 3.02Å; M445-F472 PolarHBondContact O-N 3.37Å; M445-D474 HydrophobicContact CE-CB 3.54Å
446I94.8Very high92.7Very high38 Ų3863.1 Ų63.120%0.19535%0.346CS..EExtended strand (participates in β ladder)trans-132.7138-177.8-169.650.2000110.8N449 L452 A469 M470 I471I446-N449 HydrophobicContact CG2-CB 4.35Å; I446-L452 HydrophobicContact CD1-CB 4.19Å; I446-L452 HydrophobicContact CD1-CD2 3.8Å; I446-L452 HydrophobicContact CD1-CG 4.43Å; I446-L452 HydrophobicContact CG1-CB 4.27Å; I446-L452 HydrophobicContact CG1-CD2 4.46Å; I446-L452 VanDerWaalsContact CG1-O 3.31Å; I446-L452 WeakPolarHBondContact CG1-O 3.24Å; I446-A469 HydrophobicContact CD1-CB 3.79Å; I446-M470 WeakPolarHBondContact CA-O 3.37Å; I446-M470 WeakPolarHBondContact CD1-O 3.25Å; I446-I471 HydrophobicContact CD1-CB 4.17Å
447S95.5Very high92.6Very high71 Ų7167.7 Ų67.750%0.49737%0.374SS..SBendtrans-75.1-32.3-178.866.40000114.1M470S447-M470 PolarHBondContact N-O 2.94Å; S447-M470 PolarHBondContact OG-N 2.86Å
448A94Very high92.6Very high17 Ų1762.6 Ų62.614%0.1435%0.352CS..  trans-138.586.7-172.700000111N450 I451 L452 A469A448-N450 PolarHBondContact O-N 3.01Å; A448-I451 HydrophobicContact CB-CB 4.24Å; A448-I451 HydrophobicContact CB-CD1 3.89Å; A448-I451 HydrophobicContact CB-CG1 4.27Å; A448-I451 PolarHBondContact O-N 3.49Å; A448-L452 PolarHBondContact O-N 3.38Å; A448-L452 VanDerWaalsContact O-N 3.08Å; A448-A469 HydrophobicContact CB-CB 4.1Å
449N92.3Very high92.7Very high91 Ų9155.1 Ų55.149%0.48732%0.317SS..THydrogen-bonded Turntrans-64.7-21.8-174.9-165.849.9000114I446 L452 Q453I446-N449 HydrophobicContact CG2-CB 4.35Å; N449-L452 WeakPolarHBondContact CA-O 3.5Å; N449-Q453 WeakPolarHBondContact OD1-CA 3.28Å; N449-Q453 WeakPolarHBondContact OD1-CG 3.47Å
450N91.9Very high93Very high112 Ų11252.8 Ų52.860%0.59929%0.293SS*.THydrogen-bonded Turntrans-74.3-24.8174.563-34.6000113.1A448 R464 S465A448-N450 PolarHBondContact O-N 3.01Å; N450-R464 WeakPolarHBondContact O-CB 3.35Å; N450-S465 PolarHBondContact O-OG 2.63Å
451I93.9Very high93.2Very high22 Ų2246.9 Ų46.911%0.11327%0.265CS..THydrogen-bonded Turntrans-90.7-52.9178.5-66170.6000109.6A448 R464 S465 T468 A469 V487A448-I451 HydrophobicContact CB-CB 4.24Å; A448-I451 HydrophobicContact CB-CD1 3.89Å; A448-I451 HydrophobicContact CB-CG1 4.27Å; A448-I451 PolarHBondContact O-N 3.49Å; I451-R464 PolarHBondContact O-N 2.94Å; I451-S465 WeakPolarHBondContact CA-OG 3.5Å; I451-S465 WeakPolarHBondContact CG2-O 3.49Å; I451-S465 PolarHBondContact O-N 3.27Å; I451-T468 WeakPolarHBondContact CD1-O 3.47Å; I451-A469 HydrophobicContact CB-CB 4.21Å; I451-A469 HydrophobicContact CG2-CB 3.98Å; I451-V487 HydrophobicContact CG2-CB 4.15Å; I451-V487 HydrophobicContact CG2-CG2 3.87Å
452L94.2Very high93.3Very high0 Ų041.6 Ų41.60%023%0.231CC..EExtended strand (participates in β ladder)trans-128.8117.1177.7-174.873.8000108.5I428 F430 I446 A448 N449 A463 A469 V485I428-L452 HydrophobicContact CD1-CD1 4.14Å; F430-L452 HydrophobicContact CE2-CD2 3.97Å; F430-L452 HydrophobicContact CZ-CD2 4.13Å; I446-L452 HydrophobicContact CD1-CB 4.19Å; I446-L452 HydrophobicContact CD1-CD2 3.8Å; I446-L452 HydrophobicContact CD1-CG 4.43Å; I446-L452 HydrophobicContact CG1-CB 4.27Å; I446-L452 HydrophobicContact CG1-CD2 4.46Å; I446-L452 VanDerWaalsContact CG1-O 3.31Å; I446-L452 WeakPolarHBondContact CG1-O 3.24Å; A448-L452 PolarHBondContact O-N 3.38Å; A448-L452 VanDerWaalsContact O-N 3.08Å; N449-L452 WeakPolarHBondContact CA-O 3.5Å; L452-A463 HydrophobicContact CD1-CB 4.41Å; L452-A469 HydrophobicContact CB-CB 4.01Å; L452-V485 HydrophobicContact CD2-CB 4.2Å; L452-V485 HydrophobicContact CD2-CG1 4.16Å; L452-V485 HydrophobicContact CD2-CG2 3.95Å
453Q94.2Very high93.3Very high54 Ų5441.2 Ų41.225%0.25223%0.227SC..EExtended strand (participates in β ladder)trans-96.1122.7177.3-172-176.810.300109.6N449 G461 V462 R464 L541N449-Q453 WeakPolarHBondContact OD1-CA 3.28Å; N449-Q453 WeakPolarHBondContact OD1-CG 3.47Å; Q453-G461 CarbonylContact O-C 3.56Å; Q453-G461 WeakPolarHBondContact O-CA 3.45Å; Q453-V462 PolarHBondContact N-O 2.83Å; Q453-V462 PolarHBondContact O-N 2.93Å; Q453-R464 HydrophobicContact CB-CG 4.08Å; Q453-L541 HydrophobicContact CG-CD2 3.87Å
454T94.3Very high93.2Very high16 Ų1639.4 Ų39.410%0.09822%0.215CC..EExtended strand (participates in β ladder)trans-124.2142.6-172.4-61.80000111.9W444 V460 I471W444-T454 HydrophobicContact CB-CG2 4.47Å; T454-V460 CarbonylContact C-O 3.59Å; T454-V460 VanDerWaalsContact CA-O 3.25Å; T454-V460 WeakPolarHBondContact CA-O 3.5Å; T454-V460 WeakPolarHBondContact CG2-O 3.43Å; T454-I471 HydrophobicContact CG2-CD1 4.13Å
455D93.5Very high93Very high26 Ų2640.5 Ų40.514%0.13922%0.224CC..  trans-79.7123.1168.3179.766.9000110.6V457 T458 G459 V460 A536 L541D455-V457 PolarHBondContact O-N 3.3Å; D455-V457 PolarHBondContact OD2-N 2.79Å; D455-T458 WeakPolarHBondContact OD2-CB 3.4Å; D455-T458 WeakPolarHBondContact OD2-CG2 3.33Å; D455-T458 PolarHBondContact OD2-N 2.9Å; D455-T458 PolarHBondContact OD2-OG1 3.31Å; D455-G459 VanDerWaalsContact O-CA 3.28Å; D455-G459 WeakPolarHBondContact O-CA 3.07Å; D455-G459 PolarHBondContact O-N 2.99Å; D455-V460 HydrophobicContact CB-CG1 4.03Å; D455-V460 PolarHBondContact N-O 2.68Å; D455-A536 HydrophobicContact CB-CB 4.19Å; D455-L541 HydrophobicContact CB-CD1 4.35Å
456I91.8Very high92.9Very high107 Ų10740.7 Ų40.755%0.54923%0.231SC..THydrogen-bonded Turntrans-65-29.3-171.6-66.3169.9000112.3I443 W444I443-I456 HydrophobicContact CG2-CG2 3.54Å; W444-I456 WeakPolarHBondContact CB-O 3.2Å; W444-I456 PolarHBondContact N-O 2.74Å; W444-I456 WeakPolarHBondContact O-CG2 3.36Å
457V90.4Very high92.9Very high114 Ų11440.1 Ų40.169%0.69123%0.234SC*.THydrogen-bonded Turntrans-88.2-48.3-173.5-179.10000111.1D455D455-V457 PolarHBondContact O-N 3.3Å; D455-V457 PolarHBondContact OD2-N 2.79Å
458T91.2Very high92.9Very high27 Ų2740 Ų4017%0.16623%0.231CC..THydrogen-bonded Turntrans-95.6-16.7-173.364.40000113.3D455 V460 N532 Q533 A536D455-T458 WeakPolarHBondContact OD2-CB 3.4Å; D455-T458 WeakPolarHBondContact OD2-CG2 3.33Å; D455-T458 PolarHBondContact OD2-N 2.9Å; D455-T458 PolarHBondContact OD2-OG1 3.31Å; T458-V460 VanDerWaalsContact C-N 3.27Å; T458-V460 PolarHBondContact O-N 2.87Å; T458-V460 WeakPolarHBondContact OG1-CG1 3.04Å; T458-N532 HydrophobicContact CG2-CB 4.08Å; T458-Q533 WeakPolarHBondContact O-CG 3.34Å; T458-Q533 PolarHBondContact O-NE2 2.92Å; T458-A536 HydrophobicContact CG2-CB 4.23Å
459G91.8Very high92.9Very high0 Ų039.2 Ų39.20%022%0.224CC..  trans774.1178.600000115F430 W444 D455F430-G459 WeakPolarHBondContact CB-O 3.45Å; F430-G459 VanDerWaalsContact CD2-O 3.24Å; F430-G459 WeakPolarHBondContact CD2-O 3.42Å; W444-G459 VanDerWaalsContact CD2-CA 3.48Å; D455-G459 VanDerWaalsContact O-CA 3.28Å; D455-G459 WeakPolarHBondContact O-CA 3.07Å; D455-G459 PolarHBondContact O-N 2.99Å
460V94.3Very high93Very high0 Ų037 Ų370%021%0.212CC..EExtended strand (participates in β ladder)trans-72138.9176.359.80000111.4I427 I428 T454 D455 T458 Q533 A536 I537 L541I427-V460 HydrophobicContact CG2-CG2 3.96Å; I428-V460 WeakPolarHBondContact O-CA 3.44Å; T454-V460 CarbonylContact C-O 3.59Å; T454-V460 VanDerWaalsContact CA-O 3.25Å; T454-V460 WeakPolarHBondContact CA-O 3.5Å; T454-V460 WeakPolarHBondContact CG2-O 3.43Å; D455-V460 HydrophobicContact CB-CG1 4.03Å; D455-V460 PolarHBondContact N-O 2.68Å; T458-V460 VanDerWaalsContact C-N 3.27Å; T458-V460 PolarHBondContact O-N 2.87Å; T458-V460 WeakPolarHBondContact OG1-CG1 3.04Å; V460-Q533 HydrophobicContact CB-CB 4.08Å; V460-Q533 HydrophobicContact CB-CG 4.07Å; V460-Q533 HydrophobicContact CG1-CB 4.31Å; V460-Q533 HydrophobicContact CG1-CG 4.44Å; V460-A536 HydrophobicContact CG1-CB 3.82Å; V460-I537 HydrophobicContact CB-CG1 4.4Å; V460-I537 HydrophobicContact CG1-CG1 4.14Å; V460-I537 HydrophobicContact CG2-CD1 3.78Å; V460-I537 HydrophobicContact CG2-CG1 3.51Å; V460-L541 HydrophobicContact CB-CD1 4.41Å; V460-L541 HydrophobicContact CG1-CD1 3.63Å; V460-L541 HydrophobicContact CG2-CD1 4.38Å; V460-L541 VanDerWaalsContact O-CD1 3.32Å; V460-L541 WeakPolarHBondContact O-CD1 3.43Å
461G93.7Very high93.2Very high0 Ų031.7 Ų31.70%018%0.183CC..EExtended strand (participates in β ladder)trans-124.4147.4-178.800000114I427 I428 Q453I427-G461 CarbonylContact C-O 3.53Å; I427-G461 WeakPolarHBondContact CA-O 3.33Å; I428-G461 PolarHBondContact N-O 3.49Å; I428-G461 PolarHBondContact O-N 3.05Å; Q453-G461 CarbonylContact O-C 3.56Å; Q453-G461 WeakPolarHBondContact O-CA 3.45Å
462V92.6Very high93.3Very high0 Ų033.1 Ų33.10%019%0.189CC..EExtended strand (participates in β ladder)trans-118.8125.8172.8-178.40000109.8I427 Q453 R464 L541 P543 L546I427-V462 HydrophobicContact CG1-CG2 4.23Å; Q453-V462 PolarHBondContact N-O 2.83Å; Q453-V462 PolarHBondContact O-N 2.93Å; V462-R464 PolarHBondContact O-N 3.37Å; V462-L541 HydrophobicContact CG2-CB 3.71Å; V462-L541 HydrophobicContact CG2-CD1 3.95Å; V462-L541 HydrophobicContact CG2-CG 4.39Å; V462-P543 HydrophobicContact CG1-CB 3.99Å; V462-P543 HydrophobicContact CG2-CB 4.26Å; V462-L546 HydrophobicContact CG1-CD1 4.1Å
463A91.9Very high93.4Very high0 Ų033.2 Ų33.20%019%0.189CC..EExtended strand (participates in β ladder)trans-76.6115177.300000111T422 F423 G425 D426 L452 V487T422-A463 HydrophobicContact CG2-CB 4.21Å; F423-A463 VanDerWaalsContact O-CB 3.28Å; F423-A463 WeakPolarHBondContact O-CB 3.38Å; G425-A463 PolarHBondContact N-O 2.82Å; D426-A463 HydrophobicContact CB-CB 4.43Å; D426-A463 PolarHBondContact O-N 2.89Å; L452-A463 HydrophobicContact CD1-CB 4.41Å; A463-V487 HydrophobicContact CB-CG1 3.84Å; A463-V487 HydrophobicContact CB-CG2 4.06Å
464R91.4Very high93.4Very high47 Ų4732.6 Ų32.618%0.17719%0.188CC..  trans-103.6-41.9-171.6-66.5-62.4-167.8173.12.9113.7V424 N450 I451 Q453 V462 L541 T545 L546V424-R464 WeakPolarHBondContact CG1-O 3.44Å; N450-R464 WeakPolarHBondContact O-CB 3.35Å; I451-R464 PolarHBondContact O-N 2.94Å; Q453-R464 HydrophobicContact CB-CG 4.08Å; V462-R464 PolarHBondContact O-N 3.37Å; R464-L541 PolarHBondContact NH2-O 2.91Å; R464-T545 PolarHBondContact NH1-OG1 3.37Å; R464-L546 VanDerWaalsContact NH1-CG 3.3Å
465S91.4Very high93.3Very high36 Ų3632 Ų3225%0.25218%0.184SC..SBendtrans-142155.6-178.7630000111.6N450 I451 V487N450-S465 PolarHBondContact O-OG 2.63Å; I451-S465 WeakPolarHBondContact CA-OG 3.5Å; I451-S465 WeakPolarHBondContact CG2-O 3.49Å; I451-S465 PolarHBondContact O-N 3.27Å; S465-V487 WeakPolarHBondContact O-CG1 3.32Å
466P92.8Very high93.2Very high76 Ų7635.4 Ų35.449%0.49421%0.207SC..SBendtrans-66.2140.6177.3-18.132.3000111.7V424 V487 A489V424-P466 HydrophobicContact CG2-CG 3.88Å; P466-V487 CarbonylContact C-O 3.53Å; P466-V487 VanDerWaalsContact CA-O 3.25Å; P466-V487 WeakPolarHBondContact CA-O 3.22Å; P466-A489 HydrophobicContact CB-CB 4.38Å; P466-A489 HydrophobicContact CG-CB 3.84Å
467G93.7Very high92.8Very high26 Ų2634.5 Ų34.527%0.26822%0.224SC..EExtended strand (participates in β ladder)trans147.9-171.9179.100000112.3V487G467-V487 PolarHBondContact N-O 2.89Å; G467-V487 PolarHBondContact O-N 2.83Å
468T95Very high92.6Very high70 Ų7030.5 Ų30.543%0.42920%0.2SC..EExtended strand (participates in β ladder)trans-110.3132.3179.5-56.30000110.5I451 E484 V485 V486I451-T468 WeakPolarHBondContact CD1-O 3.47Å; T468-E484 HydrophobicContact CG2-CG 3.61Å; T468-E484 VanDerWaalsContact CG2-OE1 3.31Å; T468-E484 WeakPolarHBondContact CG2-OE1 3.28Å; T468-V485 WeakPolarHBondContact CA-O 3.4Å; T468-V486 HydrophobicContact CG2-CG2 4.28Å
469A95.3Very high92.7Very high0 Ų029.6 Ų29.60%019%0.194CC..EExtended strand (participates in β ladder)trans-131151.117400000110.7I446 A448 I451 L452 V485I446-A469 HydrophobicContact CD1-CB 3.79Å; A448-A469 HydrophobicContact CB-CB 4.1Å; I451-A469 HydrophobicContact CB-CB 4.21Å; I451-A469 HydrophobicContact CG2-CB 3.98Å; L452-A469 HydrophobicContact CB-CB 4.01Å; A469-V485 PolarHBondContact N-O 3.3Å; A469-V485 PolarHBondContact O-N 2.01Å
470M94.6Very high92.8Very high45 Ų4534.5 Ų34.522%0.22222%0.216CC..EExtended strand (participates in β ladder)trans-111.3117.7178.6-62-61.3-68.900109.4I446 S447 F472 Y482 E484I446-M470 WeakPolarHBondContact CA-O 3.37Å; I446-M470 WeakPolarHBondContact CD1-O 3.25Å; S447-M470 PolarHBondContact N-O 2.94Å; S447-M470 PolarHBondContact OG-N 2.86Å; M470-F472 HydrophobicContact CB-CD2 4.46Å; M470-F472 HydrophobicContact CB-CE2 3.6Å; M470-F472 HydrophobicContact CB-CZ 3.74Å; M470-F472 WeakPolarHBondContact O-CD2 3.48Å; M470-F472 WeakPolarHBondContact O-CE2 3.31Å; M470-Y482 HydrophobicContact CE-CD2 3.13Å; M470-Y482 HydrophobicContact CE-CE2 3.55Å; M470-Y482 HydrophobicContact CE-CG 3.99Å; M470-E484 HydrophobicContact CE-CB 4.16Å; M470-E484 VanDerWaalsContact SD-CA 3.54Å; M470-E484 HydrophobicContact SD-CB 3.56Å; M470-E484 VanDerWaalsContact SD-CB 3.56Å; M470-E484 HydrophobicContact SD-CG 3.72Å
471I95.6Very high92.9Very high0 Ų034.5 Ų34.50%022%0.216CC..EExtended strand (participates in β ladder)trans-91.6132171.4-170.2168.3000109.7I415 F430 W444 M445 I446 T454 Y482 R483 V485I415-I471 HydrophobicContact CD1-CG2 4.31Å; I415-I471 HydrophobicContact CG2-CG2 4.46Å; F430-I471 HydrophobicContact CB-CD1 4.17Å; F430-I471 HydrophobicContact CD1-CD1 4.16Å; F430-I471 HydrophobicContact CD1-CG2 4.3Å; F430-I471 HydrophobicContact CD2-CD1 3.23Å; F430-I471 HydrophobicContact CE1-CD1 4.34Å; F430-I471 HydrophobicContact CE1-CG2 3.91Å; F430-I471 HydrophobicContact CE2-CD1 3.47Å; F430-I471 VanDerWaalsContact CE2-CD1 3.47Å; F430-I471 HydrophobicContact CG-CD1 3.59Å; F430-I471 HydrophobicContact CZ-CD1 4.02Å; F430-I471 HydrophobicContact CZ-CG2 4.04Å; W444-I471 HydrophobicContact CE3-CD1 3.64Å; W444-I471 HydrophobicContact CE3-CG1 3.93Å; W444-I471 HydrophobicContact CZ3-CD1 3.96Å; W444-I471 HydrophobicContact CZ3-CG1 4.35Å; M445-I471 WeakPolarHBondContact O-CA 3.5Å; I446-I471 HydrophobicContact CD1-CB 4.17Å; T454-I471 HydrophobicContact CG2-CD1 4.13Å; I471-Y482 CarbonylContact O-C 3.54Å; I471-Y482 WeakPolarHBondContact O-CA 3.43Å; I471-Y482 WeakPolarHBondContact O-CB 3.4Å; I471-R483 HydrophobicContact CG2-CB 3.88Å; I471-R483 WeakPolarHBondContact CG2-O 3.31Å; I471-R483 PolarHBondContact N-O 2.75Å; I471-R483 PolarHBondContact O-N 2.84Å; I471-V485 HydrophobicContact CG2-CG2 4.05Å
472F95.7Very high92.9Very high51 Ų5137.8 Ų37.822%0.22423%0.229CC..EExtended strand (participates in β ladder)trans-114.4143.9178.5-57.9-93.7000109.7W444 M445 M470 T481 Y482W444-F472 WeakPolarHBondContact CA-O 3.33Å; M445-F472 HydrophobicContact CB-CB 4.23Å; M445-F472 HydrophobicContact CE-CB 4.44Å; M445-F472 PolarHBondContact N-O 3.02Å; M445-F472 PolarHBondContact O-N 3.37Å; M470-F472 HydrophobicContact CB-CD2 4.46Å; M470-F472 HydrophobicContact CB-CE2 3.6Å; M470-F472 HydrophobicContact CB-CZ 3.74Å; M470-F472 WeakPolarHBondContact O-CD2 3.48Å; M470-F472 WeakPolarHBondContact O-CE2 3.31Å; F472-T481 WeakPolarHBondContact CA-O 3.35Å; F472-Y482 VanDerWaalsContact CD1-CB 3.47Å; F472-Y482 HydrophobicContact CD1-CD1 4.5Å; F472-Y482 HydrophobicContact CD1-CG 4.35Å; F472-Y482 HydrophobicContact CE1-CD1 4.22Å; F472-Y482 HydrophobicContact CE1-CG 4.13Å
473H95.4Very high93Very high3 Ų338.5 Ų38.51%0.01423%0.231CC..EExtended strand (participates in β ladder)trans-122.6125.4167.4-177.4-91.3000108.5I415 T432 G442 W444 T481I415-H473 HydrophobicContact CD1-CB 3.95Å; I415-H473 HydrophobicContact CG1-CB 4.19Å; T432-H473 WeakPolarHBondContact CG2-NE2 3.25Å; G442-H473 WeakPolarHBondContact CA-NE2 3.43Å; W444-H473 AromaticContact CD2-CD2 3.72Å; W444-H473 AromaticContact CE2-CD2 3.47Å; W444-H473 VanDerWaalsContact CE2-CD2 3.47Å; W444-H473 HydrophobicContact CE3-CB 4.1Å; W444-H473 HydrophobicContact CH2-CB 4.45Å; W444-H473 AromaticContact CZ2-CD2 3.66Å; W444-H473 HydrophobicContact CZ3-CB 4.05Å; W444-H473 AromaticContact NE1-CD2 3.81Å; H473-T481 HydrophobicContact CB-CG2 4.08Å; H473-T481 PolarHBondContact N-O 2.91Å; H473-T481 PolarHBondContact O-N 2.8Å
474D94.8Very high93.1Very high41 Ų4143.5 Ų43.522%0.21926%0.255CS..EExtended strand (participates in β ladder)trans-124.5124.2-174.3-165.2-2.6000110.7G442 I443 M445 K480G442-D474 CarbonylContact C-O 3.59Å; G442-D474 VanDerWaalsContact CA-O 3.3Å; G442-D474 WeakPolarHBondContact CA-O 3.49Å; I443-D474 PolarHBondContact N-O 3.34Å; I443-D474 PolarHBondContact O-N 3.18Å; M445-D474 HydrophobicContact CE-CB 3.54Å; D474-K480 HydrophobicContact CB-CG 4.42Å
475I93.4Very high93.3Very high4 Ų441.2 Ų41.22%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-110.2104.8168.2-56-179.7000106L434 G477 V478 V479L434-I475 HydrophobicContact CB-CD1 3.63Å; I475-G477 PolarHBondContact O-N 3.03Å; I475-V478 HydrophobicContact CB-CB 4.15Å; I475-V478 HydrophobicContact CG2-CB 3.79Å; I475-V478 HydrophobicContact CG2-CG2 3.86Å; I475-V478 PolarHBondContact O-N 3.05Å; I475-V479 HydrophobicContact CB-CG1 4.17Å; I475-V479 HydrophobicContact CD1-CG1 3.98Å; I475-V479 HydrophobicContact CG1-CG1 4.24Å; I475-V479 PolarHBondContact N-O 2.8Å; I475-V479 PolarHBondContact O-N 3.08Å; I475-V479 VanDerWaalsContact O-N 3.14Å
476P89.8Confident93.4Very high96 Ų9642.2 Ų42.262%0.62325%0.251SS*.THydrogen-bonded Turntrans-50.2126.2-173.2-30.135.5000112.7V478P476-V478 PolarHBondContact O-N 3.21Å
477G84.2Confident93.4Very high88 Ų8838.7 Ų38.791%0.90723%0.228SC*.THydrogen-bonded Turntrans74.2-2.2178.500000115.9I475I475-G477 PolarHBondContact O-N 3.03Å
478V87.1Confident93.2Very high30 Ų3040.7 Ų40.718%0.18223%0.232CC..THydrogen-bonded Turntrans-114.6-61.9-177.9-1760000111.5P320 L322 I475 P476P320-V478 VanDerWaalsContact CG-O 3.24Å; P320-V478 WeakPolarHBondContact CG-O 3.22Å; L322-V478 HydrophobicContact CD2-CG1 4.37Å; I475-V478 HydrophobicContact CB-CB 4.15Å; I475-V478 HydrophobicContact CG2-CB 3.79Å; I475-V478 HydrophobicContact CG2-CG2 3.86Å; I475-V478 PolarHBondContact O-N 3.05Å; P476-V478 PolarHBondContact O-N 3.21Å
479V92.8Very high92.7Very high8 Ų840.3 Ų40.35%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-159.5138.1-173.359.50000111.6L322 P334 M337 L434 I475L322-V479 HydrophobicContact CD2-CB 3.86Å; L322-V479 HydrophobicContact CD2-CG1 4.07Å; L322-V479 HydrophobicContact CD2-CG2 4.22Å; P334-V479 HydrophobicContact CB-CG2 4.22Å; P334-V479 HydrophobicContact CG-CG2 4.11Å; M337-V479 HydrophobicContact CB-CG2 4.07Å; M337-V479 HydrophobicContact CE-CG2 4.44Å; M337-V479 HydrophobicContact CG-CG2 3.84Å; M337-V479 HydrophobicContact SD-CB 4.42Å; M337-V479 HydrophobicContact SD-CG2 3.74Å; L434-V479 HydrophobicContact CD1-CG1 3.97Å; L434-V479 HydrophobicContact CD1-CG2 4.44Å; L434-V479 HydrophobicContact CD2-CG1 4.44Å; I475-V479 HydrophobicContact CB-CG1 4.17Å; I475-V479 HydrophobicContact CD1-CG1 3.98Å; I475-V479 HydrophobicContact CG1-CG1 4.24Å; I475-V479 PolarHBondContact N-O 2.8Å; I475-V479 PolarHBondContact O-N 3.08Å; I475-V479 VanDerWaalsContact O-N 3.14Å
480K93.8Very high91.7Very high104 Ų10442.1 Ų42.145%0.45225%0.249SC..EExtended strand (participates in β ladder)trans-120130.9168.1-173.2172.7-176.8169.60108.7G336 D474G336-K480 CarbonylContact C-O 3.45Å; D474-K480 HydrophobicContact CB-CG 4.42Å
481T95.3Very high90.3Very high0 Ų044.3 Ų44.30%027%0.268CS..EExtended strand (participates in β ladder)trans-138.7162.3179.4-1720000110.4P334 L335 A414 I415 L434 F472 H473P334-T481 HydrophobicContact CB-CG2 4.45Å; L335-T481 VanDerWaalsContact O-CA 3.31Å; L335-T481 WeakPolarHBondContact O-CA 3.35Å; L335-T481 WeakPolarHBondContact O-CB 3.45Å; L335-T481 PolarHBondContact O-OG1 2.94Å; A414-T481 HydrophobicContact CB-CG2 4.26Å; I415-T481 HydrophobicContact CD1-CG2 4.17Å; I415-T481 HydrophobicContact CG1-CG2 4.05Å; L434-T481 HydrophobicContact CD1-CG2 4.28Å; F472-T481 WeakPolarHBondContact CA-O 3.35Å; H473-T481 HydrophobicContact CB-CG2 4.08Å; H473-T481 PolarHBondContact N-O 2.91Å; H473-T481 PolarHBondContact O-N 2.8Å
482Y95.3Very high89Confident68 Ų6854 Ų5427%0.26731%0.305SS..EExtended strand (participates in β ladder)trans-144.3162.1-179.464.8-100.4000113.4L335 M470 I471 F472L335-Y482 HydrophobicContact CD2-CD2 4.43Å; L335-Y482 HydrophobicContact CD2-CE2 3.87Å; L335-Y482 HydrophobicContact CG-CE2 4.28Å; M470-Y482 HydrophobicContact CE-CD2 3.13Å; M470-Y482 HydrophobicContact CE-CE2 3.55Å; M470-Y482 HydrophobicContact CE-CG 3.99Å; I471-Y482 CarbonylContact O-C 3.54Å; I471-Y482 WeakPolarHBondContact O-CA 3.43Å; I471-Y482 WeakPolarHBondContact O-CB 3.4Å; F472-Y482 VanDerWaalsContact CD1-CB 3.47Å; F472-Y482 HydrophobicContact CD1-CD1 4.5Å; F472-Y482 HydrophobicContact CD1-CG 4.35Å; F472-Y482 HydrophobicContact CE1-CD1 4.22Å; F472-Y482 HydrophobicContact CE1-CG 4.13Å
483R94.5Very high88Confident15 Ų1556.5 Ų56.56%0.05732%0.32CS..EExtended strand (participates in β ladder)trans-139.2138.3172-173.5171.5-165.4131.419.5110.4I415 P417 D418 T419 I471I415-R483 HydrophobicContact CB-CB 4.14Å; I415-R483 HydrophobicContact CD1-CB 4.24Å; I415-R483 HydrophobicContact CG2-CB 4.35Å; I415-R483 WeakPolarHBondContact O-CD 3.36Å; I415-R483 PolarHBondContact O-NH1 3.14Å; P417-R483 PolarHBondContact O-NE 2.87Å; P417-R483 PolarHBondContact O-NH1 2.78Å; D418-R483 IonicContact OD1-CZ 2.74Å; D418-R483 IonicContact OD1-NH2 3.9Å; D418-R483 PolarHBondContact OD1-NH2 3.17Å; T419-R483 PolarHBondContact OG1-NE 3.42Å; I471-R483 HydrophobicContact CG2-CB 3.88Å; I471-R483 WeakPolarHBondContact CG2-O 3.31Å; I471-R483 PolarHBondContact N-O 2.75Å; I471-R483 PolarHBondContact O-N 2.84Å
484E94Very high87Confident105 Ų10561.1 Ų61.149%0.49134%0.343SS..EExtended strand (participates in β ladder)trans-80.9138.5172.3-173.4178.9-13100110.8T419 T468 M470 V486T419-E484 PolarHBondContact OG1-O 2.79Å; T468-E484 HydrophobicContact CG2-CG 3.61Å; T468-E484 VanDerWaalsContact CG2-OE1 3.31Å; T468-E484 WeakPolarHBondContact CG2-OE1 3.28Å; M470-E484 HydrophobicContact CE-CB 4.16Å; M470-E484 VanDerWaalsContact SD-CA 3.54Å; M470-E484 HydrophobicContact SD-CB 3.56Å; M470-E484 VanDerWaalsContact SD-CB 3.56Å; M470-E484 HydrophobicContact SD-CG 3.72Å; E484-V486 HydrophobicContact CG-CG2 4.23Å
485V94.4Very high86.1Confident0 Ų064.4 Ų64.40%036%0.36CS..EExtended strand (participates in β ladder)trans-126.1110.7177.7-169.70000107.9T419 T422 I428 F430 L452 T468 A469 I471 V487T419-V485 HydrophobicContact CG2-CG1 4.26Å; T419-V485 HydrophobicContact CG2-CG2 3.97Å; T422-V485 HydrophobicContact CG2-CG1 4.46Å; I428-V485 HydrophobicContact CD1-CG1 3.9Å; F430-V485 HydrophobicContact CE1-CG2 4.27Å; F430-V485 HydrophobicContact CZ-CG2 3.78Å; L452-V485 HydrophobicContact CD2-CB 4.2Å; L452-V485 HydrophobicContact CD2-CG1 4.16Å; L452-V485 HydrophobicContact CD2-CG2 3.95Å; T468-V485 WeakPolarHBondContact CA-O 3.4Å; A469-V485 PolarHBondContact N-O 3.3Å; A469-V485 PolarHBondContact O-N 2.01Å; I471-V485 HydrophobicContact CG2-CG2 4.05Å; V485-V487 HydrophobicContact CG1-CG2 4.26Å
486V94.3Very high85.2Confident57 Ų5766 Ų6635%0.34537%0.372SS..EExtended strand (participates in β ladder)trans-98.3112.5175.4-176.40000108.7T422 T468 E484T422-V486 WeakPolarHBondContact CB-O 3.36Å; T468-V486 HydrophobicContact CG2-CG2 4.28Å; E484-V486 HydrophobicContact CG-CG2 4.23Å
487V92.3Very high84.5Confident2 Ų269 Ų691%0.01237%0.372CS..EExtended strand (participates in β ladder)trans-97.3118.4178.4-176.40000109.3T422 V424 I451 A463 S465 P466 G467 V485T422-V487 HydrophobicContact CG2-CG2 4.14Å; V424-V487 HydrophobicContact CG2-CG1 3.87Å; I451-V487 HydrophobicContact CG2-CB 4.15Å; I451-V487 HydrophobicContact CG2-CG2 3.87Å; A463-V487 HydrophobicContact CB-CG1 3.84Å; A463-V487 HydrophobicContact CB-CG2 4.06Å; S465-V487 WeakPolarHBondContact O-CG1 3.32Å; P466-V487 CarbonylContact C-O 3.53Å; P466-V487 VanDerWaalsContact CA-O 3.25Å; P466-V487 WeakPolarHBondContact CA-O 3.22Å; G467-V487 PolarHBondContact N-O 2.89Å; G467-V487 PolarHBondContact O-N 2.83Å; V485-V487 HydrophobicContact CG1-CG2 4.26Å
488N89.8Confident83.7Confident67 Ų6767.7 Ų67.736%0.35834%0.344SS..EExtended strand (participates in β ladder)trans-92.8153.3176.5-66.2-36.3000111.2T422 F423 V424 S490T422-N488 PolarHBondContact O-N 2.88Å; F423-N488 WeakPolarHBondContact CA-O 3.3Å; F423-N488 HydrophobicContact CD1-CB 3.81Å; F423-N488 HydrophobicContact CE1-CB 3.92Å; V424-N488 PolarHBondContact N-O 2.77Å; V424-N488 VanDerWaalsContact N-O 3.08Å; N488-S490 PolarHBondContact O-N 3.45Å
489A85.1Confident82.5Confident62 Ų6274.2 Ų74.251%0.51238%0.377SS..PPolyproline II helixtrans-61.7134.5168.400000110.2P466 S491P466-A489 HydrophobicContact CB-CB 4.38Å; P466-A489 HydrophobicContact CG-CB 3.84Å; A489-S491 PolarHBondContact O-N 2.78Å
490S74.1Confident81.3Confident39 Ų3977.5 Ų77.527%0.27339%0.391SS..PPolyproline II helixtrans-73.5123.1170.7-179.20000108.9N488 R492 T518N488-S490 PolarHBondContact O-N 3.45Å; S490-R492 PolarHBondContact OG-O 2.91Å; S490-T518 PolarHBondContact OG-O 3.38Å
491S64.8Low80Confident90 Ų9078.8 Ų78.863%0.62941%0.407SS*.  trans-93.4-13.5179.960.70000113.4A489A489-S491 PolarHBondContact O-N 2.78Å
492R69.5Low78.9Confident203 Ų20385.9 Ų85.977%0.76644%0.435SS*.  trans-151.9128.1-173.5-68.4-172.1178.3-177.6-2111.1S490S490-R492 PolarHBondContact OG-O 2.91Å
493L74.1Confident77.9Confident105 Ų10587 Ų8755%0.5545%0.445SS..PPolyproline II helixtrans-92.3128.5168.7-61176.7000108.9I516 T518 M547L493-I516 HydrophobicContact CB-CG2 4.35Å; L493-I516 HydrophobicContact CD2-CG2 4.18Å; L493-T518 HydrophobicContact CD2-CG2 3.66Å; L493-M547 HydrophobicContact CD2-CE 3.89Å
494M74.6Confident77Confident99 Ų9988.6 Ų88.649%0.48846%0.457SS..EExtended strand (participates in β ladder)trans-99122.9170.5-76.2-172.369.900109.3T517M494-T517 VanDerWaalsContact CB-OG1 3.3Å; M494-T517 WeakPolarHBondContact CB-OG1 3.49Å; M494-T517 PolarHBondContact N-O 3.04Å; M494-T517 PolarHBondContact O-N 3.2Å; M494-T517 PolarHBondContact O-OG1 3.44Å
495L75.4Confident75.9Confident110 Ų11089.5 Ų89.558%0.57647%0.465SS*.EExtended strand (participates in β ladder)trans-103.2124.6-180-62.3166.5000108.4L514 F515 I516L495-L514 HydrophobicContact CB-CD1 4.4Å; L495-L514 HydrophobicContact CD2-CD1 4.28Å; L495-L514 HydrophobicContact CD2-CD2 4.25Å; L495-L514 HydrophobicContact CD2-CG 4.34Å; L495-F515 WeakPolarHBondContact CA-O 3.44Å; L495-I516 HydrophobicContact CD2-CB 4.42Å; L495-I516 HydrophobicContact CD2-CD1 4.37Å; L495-I516 HydrophobicContact CD2-CG1 3.83Å; L495-I516 HydrophobicContact CD2-CG2 4.17Å
496S74.8Confident74.9Confident39 Ų3993.4 Ų93.427%0.27349%0.489SS..EExtended strand (participates in β ladder)trans-124.3131.8167.155.90000108.6F515 K576S496-F515 PolarHBondContact N-O 3.26Å; S496-F515 WeakPolarHBondContact O-CA 3.25Å; S496-F515 WeakPolarHBondContact O-CB 3.29Å; S496-F515 PolarHBondContact O-N 2.91Å; S496-F515 WeakPolarHBondContact OG-CB 3.48Å; S496-K576 PolarHBondContact OG-NZ 3.4Å
497Y74.3Confident73.4Confident159 Ų15998.8 Ų98.862%0.62452%0.515SS*.EExtended strand (participates in β ladder)trans-114.7156.8-178.452.2-84.6000110.3
498D66.8Low72.2Confident59 Ų59106.5 Ų106.532%0.31656%0.556SS.*  trans-61.8156.5172.4-164.74000111.2K500 K513D498-K500 PolarHBondContact O-N 3.46Å; D498-K513 PolarHBondContact N-O 3.14Å
499L62.8Low71.2Confident167 Ų167105.7 Ų105.787%0.87456%0.555SS**SBendtrans-61.6-7.1-174.3-73.7164.3000114.5
500K66.9Low70.5Confident78 Ų78106.9 Ų106.934%0.33956%0.556SS.*  trans-81.5129.4179.4-64.2-173.7179.2-169.40110.7D498 T510 F512D498-K500 PolarHBondContact O-N 3.46Å; K500-T510 PolarHBondContact NZ-OG1 3.39Å; K500-F512 VanDerWaalsContact O-CE2 3.26Å; K500-F512 WeakPolarHBondContact O-CE2 3.42Å
501T67.1Low70.5Confident131 Ų131110.4 Ų110.480%0.80458%0.576SS**  trans-99.56.5-178.152.20000113.9
502Y72.9Confident71.1Confident148 Ų148109.7 Ų109.758%0.5856%0.562SS**  trans-137148.7-176.267-86.6000112.4T504Y502-T504 HydrophobicContact CD2-CG2 4.47Å; Y502-T504 HydrophobicContact CE2-CG2 4.1Å
503L74.5Confident71.5Confident91 Ų91105.7 Ų105.748%0.47655%0.55SS..  trans-102.1135.4172.2-63174.5000109.1F512 F566L503-F512 HydrophobicContact CD2-CB 3.41Å; L503-F512 VanDerWaalsContact CD2-CB 3.41Å; L503-F512 HydrophobicContact CD2-CD1 3.78Å; L503-F512 HydrophobicContact CD2-CD2 4.16Å; L503-F512 HydrophobicContact CD2-CG 3.51Å; L503-F566 HydrophobicContact CB-CE1 3.85Å; L503-F566 HydrophobicContact CB-CZ 3.93Å
504T75.1Confident71.6Confident50 Ų50104.9 Ų104.931%0.30755%0.546SS..  trans-134.3148177.9178.40000110.4Y502 T506 S509Y502-T504 HydrophobicContact CD2-CG2 4.47Å; Y502-T504 HydrophobicContact CE2-CG2 4.1Å; T504-T506 WeakPolarHBondContact OG1-CG2 3.26Å; T504-T506 PolarHBondContact OG1-N 3.01Å; T504-T506 PolarHBondContact OG1-OG1 3.17Å; T504-S509 VanDerWaalsContact CG2-CB 3.49Å
505N70.9Confident71.8Confident123 Ų123103.5 Ų103.566%0.65854%0.537SS*.  trans-10415.8174.966.1-18.4000112.5
506T73.9Confident71.8Confident82 Ų82100.4 Ų100.450%0.50352%0.521SS..  trans-69.3143.6178.950.60000112.2T504 S509T504-T506 WeakPolarHBondContact OG1-CG2 3.26Å; T504-T506 PolarHBondContact OG1-N 3.01Å; T504-T506 PolarHBondContact OG1-OG1 3.17Å; T506-S509 WeakPolarHBondContact O-CB 3.3Å; T506-S509 PolarHBondContact O-N 3.23Å; T506-S509 PolarHBondContact O-OG 3.43Å
507L62.3Low71.8Confident170 Ų17099.2 Ų99.289%0.8951%0.512SS*.THydrogen-bonded Turntrans-55.3139174.3-107.289.2000110.8S509L507-S509 PolarHBondContact O-N 3.25Å
508N66.5Low71.5Confident165 Ų16592.2 Ų92.288%0.88249%0.486SS*.THydrogen-bonded Turntrans62.418.2-177.1-64.5-8.5000115.9
509S68.9Low71.4Confident49 Ų4989.7 Ų89.734%0.34347%0.473SS..PPolyproline II helixtrans-72.5140.1167.957.50000111.3T504 T506 L507T504-S509 VanDerWaalsContact CG2-CB 3.49Å; T506-S509 WeakPolarHBondContact O-CB 3.3Å; T506-S509 PolarHBondContact O-N 3.23Å; T506-S509 PolarHBondContact O-OG 3.43Å; L507-S509 PolarHBondContact O-N 3.25Å
510T69.8Low71.2Confident87 Ų8790.9 Ų90.953%0.53447%0.466SS..PPolyproline II helixtrans-70.4142.317661.40000110.2K500 F512K500-T510 PolarHBondContact NZ-OG1 3.39Å; T510-F512 PolarHBondContact O-N 3.12Å
511V74.8Confident70.9Confident114 Ų11494.4 Ų94.469%0.69149%0.489SS*.PPolyproline II helixtrans-61.2131.6177.1-176.30000110.6K513V511-K513 PolarHBondContact O-N 3.42Å
512F76.6Confident70.6Confident75 Ų7589 Ų8933%0.32946%0.459SS..PPolyproline II helixtrans-73.9121.2170.5177.8-95.2000109.7K500 L503 T510 L514K500-F512 VanDerWaalsContact O-CE2 3.26Å; K500-F512 WeakPolarHBondContact O-CE2 3.42Å; L503-F512 HydrophobicContact CD2-CB 3.41Å; L503-F512 VanDerWaalsContact CD2-CB 3.41Å; L503-F512 HydrophobicContact CD2-CD1 3.78Å; L503-F512 HydrophobicContact CD2-CD2 4.16Å; L503-F512 HydrophobicContact CD2-CG 3.51Å; T510-F512 PolarHBondContact O-N 3.12Å; F512-L514 HydrophobicContact CE1-CB 4.34Å
513K78Confident70.5Confident118 Ų11886.1 Ų86.151%0.51346%0.457SS..  trans-104.6122.8-177.7-63.4-178.4-177.7179.20110.5D498 V511 F515D498-K513 PolarHBondContact N-O 3.14Å; V511-K513 PolarHBondContact O-N 3.42Å; K513-F515 HydrophobicContact CB-CE2 4.02Å; K513-F515 HydrophobicContact CB-CZ 4.05Å; K513-F515 HydrophobicContact CD-CZ 4.13Å
514L76.9Confident70.7Confident89 Ų8983 Ų8347%0.46644%0.441SS..EExtended strand (participates in β ladder)trans-106111.5168.8-179.167.6000108.3L495 F512 I516L495-L514 HydrophobicContact CB-CD1 4.4Å; L495-L514 HydrophobicContact CD2-CD1 4.28Å; L495-L514 HydrophobicContact CD2-CD2 4.25Å; L495-L514 HydrophobicContact CD2-CG 4.34Å; F512-L514 HydrophobicContact CE1-CB 4.34Å; L514-I516 HydrophobicContact CG-CG1 4.39Å
515F77.8Confident71.1Confident70 Ų7083.4 Ų83.431%0.30744%0.441SS..EExtended strand (participates in β ladder)trans-89.2126.2176.5-58-83.5000109.7L495 S496 K513L495-F515 WeakPolarHBondContact CA-O 3.44Å; S496-F515 PolarHBondContact N-O 3.26Å; S496-F515 WeakPolarHBondContact O-CA 3.25Å; S496-F515 WeakPolarHBondContact O-CB 3.29Å; S496-F515 PolarHBondContact O-N 2.91Å; S496-F515 WeakPolarHBondContact OG-CB 3.48Å; K513-F515 HydrophobicContact CB-CE2 4.02Å; K513-F515 HydrophobicContact CB-CZ 4.05Å; K513-F515 HydrophobicContact CD-CZ 4.13Å
516I76.1Confident71.9Confident44 Ų4479.3 Ų79.323%0.22642%0.417CS..EExtended strand (participates in β ladder)trans-112.6126.6177.9-46.5179.7000107.7L493 L495 L514 M547L493-I516 HydrophobicContact CB-CG2 4.35Å; L493-I516 HydrophobicContact CD2-CG2 4.18Å; L495-I516 HydrophobicContact CD2-CB 4.42Å; L495-I516 HydrophobicContact CD2-CD1 4.37Å; L495-I516 HydrophobicContact CD2-CG1 3.83Å; L495-I516 HydrophobicContact CD2-CG2 4.17Å; L514-I516 HydrophobicContact CG-CG1 4.39Å; I516-M547 HydrophobicContact CB-CE 4.23Å; I516-M547 HydrophobicContact CB-SD 3.78Å; I516-M547 HydrophobicContact CD1-SD 3.67Å; I516-M547 HydrophobicContact CG1-SD 4.27Å; I516-M547 HydrophobicContact CG2-CE 3.53Å; I516-M547 HydrophobicContact CG2-SD 3.69Å
517T74.4Confident72.4Confident15 Ų1576.9 Ų76.99%0.09241%0.408CS..EExtended strand (participates in β ladder)trans-122.3136.9175.449.20000109M494 G522M494-T517 VanDerWaalsContact CB-OG1 3.3Å; M494-T517 WeakPolarHBondContact CB-OG1 3.49Å; M494-T517 PolarHBondContact N-O 3.04Å; M494-T517 PolarHBondContact O-N 3.2Å; M494-T517 PolarHBondContact O-OG1 3.44Å; T517-G522 WeakPolarHBondContact CG2-O 3.31Å
518T69Low73.6Confident11 Ų1178 Ų787%0.06741%0.406CS..  trans-102.9-14.5-173.957.60000111.9V424 S490 L493 N524 M547V424-T518 WeakPolarHBondContact O-CB 3.41Å; V424-T518 PolarHBondContact O-OG1 3.4Å; S490-T518 PolarHBondContact OG-O 3.38Å; L493-T518 HydrophobicContact CD2-CG2 3.66Å; T518-N524 PolarHBondContact N-ND2 2.87Å; T518-N524 PolarHBondContact N-OD1 2.67Å; T518-N524 PolarHBondContact OG1-ND2 2.8Å; T518-N524 PolarHBondContact OG1-OD1 3.42Å; T518-M547 HydrophobicContact CG2-CE 3.6Å
519G63.3Low74.7Confident6 Ų671.6 Ų71.66%0.06237%0.374CS..SBendtrans-90.4151.6175.900000114.3N521 G522 N524G519-N521 PolarHBondContact O-N 3.08Å; G519-G522 PolarHBondContact O-N 2.89Å; G519-N524 PolarHBondContact N-OD1 3.44Å; G519-N524 VanDerWaalsContact N-OD1 3.09Å
520R59.5Low75.7Confident192 Ų19272.6 Ų72.673%0.72538%0.378SS*.THydrogen-bonded Turntrans-65-19.3179.7-70.1-174.4-178.3-175.30.7114.6
521N59.9Low76.7Confident152 Ų15273.7 Ų73.781%0.81339%0.387SS*.THydrogen-bonded Turntrans-102.69.2-174.6-65.1-3.3000113.2G519 V523G519-N521 PolarHBondContact O-N 3.08Å; N521-V523 PolarHBondContact O-N 3.32Å
522G61.1Low77.4Confident18 Ų1873.7 Ų73.719%0.18638%0.383CS..SBendtrans72.28.5177.600000115.7T517 G519T517-G522 WeakPolarHBondContact CG2-O 3.31Å; G519-G522 PolarHBondContact O-N 2.89Å
523V71.3Confident78.1Confident87 Ų8770.5 Ų70.553%0.52737%0.369SS..  trans-133.7127.2175.7-177.30000108.9N521 L525N521-V523 PolarHBondContact O-N 3.32Å; V523-L525 HydrophobicContact CG1-CB 4.01Å
524N78.1Confident78.6Confident27 Ų2766.1 Ų66.114%0.14436%0.355CS..  trans-96.4-2.1177.1-69.4-2.6000112.2D426 I427 T518 G519D426-N524 CarbonylContact C-O 3.55Å; D426-N524 VanDerWaalsContact CA-O 3.29Å; D426-N524 WeakPolarHBondContact CA-O 3.5Å; I427-N524 PolarHBondContact N-O 2.99Å; T518-N524 PolarHBondContact N-ND2 2.87Å; T518-N524 PolarHBondContact N-OD1 2.67Å; T518-N524 PolarHBondContact OG1-ND2 2.8Å; T518-N524 PolarHBondContact OG1-OD1 3.42Å; G519-N524 PolarHBondContact N-OD1 3.44Å; G519-N524 VanDerWaalsContact N-OD1 3.09Å
525L84.3Confident79.2Confident58 Ų5865.9 Ų65.930%0.30435%0.354SS..EExtended strand (participates in β ladder)trans-92.6128.5178.9-167.571.4000110.8I427 V523 C529 M574I427-L525 HydrophobicContact CB-CD1 4.02Å; I427-L525 HydrophobicContact CG2-CD1 3.83Å; I427-L525 CarbonylContact O-C 3.46Å; I427-L525 WeakPolarHBondContact O-CA 3.46Å; V523-L525 HydrophobicContact CG1-CB 4.01Å; L525-C529 WeakPolarHBondContact CD1-SG 3.35Å; L525-M574 HydrophobicContact CD1-SD 4.24Å; L525-M574 HydrophobicContact CD2-CE 4.42Å
526K87.1Confident79.8Confident37 Ų3762.9 Ų62.916%0.16134%0.342CS..EExtended strand (participates in β ladder)trans-117.5127.9175.2-64.3-166.1174-1640110.9P417 K420 L421 T422 D426 I427 I428 C429P417-K526 HydrophobicContact CG-CB 4.34Å; K420-K526 PolarHBondContact O-NZ 3.06Å; L421-K526 PolarHBondContact O-NZ 2.93Å; T422-K526 PolarHBondContact OG1-NZ 2.69Å; D426-K526 WeakPolarHBondContact OD2-CE 3.4Å; D426-K526 IonicContact OD2-NZ 3.12Å; I427-K526 PolarHBondContact O-N 2.91Å; I428-K526 HydrophobicContact CG1-CB 4.37Å; I428-K526 HydrophobicContact CG1-CD 4.5Å; I428-K526 HydrophobicContact CG2-CB 4.24Å; C429-K526 PolarHBondContact N-O 3.04Å
527G86Confident80.5Confident30 Ų3060.8 Ų60.831%0.30933%0.331SS..SBendtrans84.1-175.3-178.200000112.5
528F86.8Confident81Confident193 Ų19363.1 Ų63.185%0.84635%0.346SS*.  trans-105.6113.6-179.8-65-80000109.5
529C89Confident81.8Confident32 Ų3269.7 Ų69.722%0.21637%0.373CS..  trans-81.8129-179.6-52.80000111.1C429 L525 Q533 M574C429-C529 HydrophobicContact CB-CB 3.86Å; C429-C529 WeakPolarHBondContact CB-SG 3.43Å; C429-C529 VanDerWaalsContact SG-CA 3.57Å; C429-C529 WeakPolarHBondContact SG-CB 3.36Å; C429-C529 CovalentContact SG-SG 2.01Å; C429-C529 PolarHBondContact SG-SG 2.88Å; L525-C529 WeakPolarHBondContact CD1-SG 3.35Å; C529-Q533 HydrophobicContact CB-CB 4.24Å; C529-M574 HydrophobicContact CB-CE 3.71Å
530T89.6Confident83Confident70 Ų7073.3 Ų73.343%0.42939%0.394SS..  trans-70160.2167.462.70000110.9N532 Q533 A534T530-N532 PolarHBondContact O-N 2.62Å; T530-Q533 WeakPolarHBondContact O-CB 3.29Å; T530-Q533 PolarHBondContact O-N 3.09Å; T530-Q533 WeakPolarHBondContact OG1-CG 3.38Å; T530-Q533 PolarHBondContact OG1-N 3.32Å; T530-Q533 PolarHBondContact OG1-OE1 3.23Å; T530-A534 PolarHBondContact O-N 2.99Å
531P90.4Very high84.4Confident110 Ų11064.2 Ų64.271%0.71436%0.36SS*.Hα-helixtrans-54.8-35.4175.2-27.735.7000113.5A534 L535P531-A534 PolarHBondContact O-N 3.19Å; P531-L535 PolarHBondContact O-N 2.86Å
532N90Very high85.7Confident113 Ų11361.1 Ų61.160%0.60434%0.343SS*.Hα-helixtrans-67.9-40.2176.4-67.7-14.4000111.9T458 T530 L535 A536T458-N532 HydrophobicContact CG2-CB 4.08Å; T530-N532 PolarHBondContact O-N 2.62Å; N532-L535 WeakPolarHBondContact O-CB 3.35Å; N532-L535 PolarHBondContact O-N 2.93Å; N532-A536 PolarHBondContact O-N 3.4Å
533Q91.8Very high86.8Confident8 Ų860.9 Ų60.94%0.03734%0.338CS..Hα-helixtrans-64.4-41.4173.6-73.6171.4-3600111.3F430 T458 V460 C529 T530 L535 A536 I537F430-Q533 PolarHBondContact O-NE2 2.64Å; T458-Q533 WeakPolarHBondContact O-CG 3.34Å; T458-Q533 PolarHBondContact O-NE2 2.92Å; V460-Q533 HydrophobicContact CB-CB 4.08Å; V460-Q533 HydrophobicContact CB-CG 4.07Å; V460-Q533 HydrophobicContact CG1-CB 4.31Å; V460-Q533 HydrophobicContact CG1-CG 4.44Å; C529-Q533 HydrophobicContact CB-CB 4.24Å; T530-Q533 WeakPolarHBondContact O-CB 3.29Å; T530-Q533 PolarHBondContact O-N 3.09Å; T530-Q533 WeakPolarHBondContact OG1-CG 3.38Å; T530-Q533 PolarHBondContact OG1-N 3.32Å; T530-Q533 PolarHBondContact OG1-OE1 3.23Å; Q533-L535 VanDerWaalsContact C-N 3.3Å; Q533-L535 PolarHBondContact O-N 3.34Å; Q533-A536 PolarHBondContact O-N 3.01Å; Q533-I537 VanDerWaalsContact O-CG1 3.26Å; Q533-I537 WeakPolarHBondContact O-CG1 3.38Å; Q533-I537 PolarHBondContact O-N 3.11Å
534A88.9Confident87.1Confident27 Ų2757.7 Ų57.722%0.22332%0.321CS..Hα-helixtrans-59.1-41.1175.100000112.3T530 P531 I537 T538 M574T530-A534 PolarHBondContact O-N 2.99Å; P531-A534 PolarHBondContact O-N 3.19Å; A534-I537 PolarHBondContact O-N 2.85Å; A534-T538 PolarHBondContact O-N 3.06Å; A534-T538 PolarHBondContact O-OG1 3.18Å; A534-T538 VanDerWaalsContact O-OG1 3.14Å; A534-M574 HydrophobicContact CB-CE 3.89Å
535L89.8Confident87.2Confident83 Ų8361 Ų6144%0.43534%0.342SS..Hα-helixtrans-64.7-42.3174.9-168.969000112.1P531 N532 Q533 T538 K539P531-L535 PolarHBondContact O-N 2.86Å; N532-L535 WeakPolarHBondContact O-CB 3.35Å; N532-L535 PolarHBondContact O-N 2.93Å; Q533-L535 VanDerWaalsContact C-N 3.3Å; Q533-L535 PolarHBondContact O-N 3.34Å; L535-T538 PolarHBondContact O-N 2.95Å; L535-T538 PolarHBondContact O-OG1 2.64Å; L535-T538 VanDerWaalsContact O-OG1 3.12Å; L535-K539 HydrophobicContact CD1-CD 3.73Å; L535-K539 VanDerWaalsContact CD1-CE 3.45Å; L535-K539 HydrophobicContact CD1-CG 4.28Å; L535-K539 HydrophobicContact CG-CD 4.04Å; L535-K539 WeakPolarHBondContact O-CB 3.4Å; L535-K539 PolarHBondContact O-N 2.89Å
536A90.4Very high86.9Confident7 Ų761.3 Ų61.36%0.05834%0.344CS..Hα-helixtrans-65.6-38177.600000112.2D455 T458 V460 N532 Q533 T538 V540 L541D455-A536 HydrophobicContact CB-CB 4.19Å; T458-A536 HydrophobicContact CG2-CB 4.23Å; V460-A536 HydrophobicContact CG1-CB 3.82Å; N532-A536 PolarHBondContact O-N 3.4Å; Q533-A536 PolarHBondContact O-N 3.01Å; A536-T538 PolarHBondContact O-N 3.25Å; A536-V540 WeakPolarHBondContact O-CA 3.3Å; A536-V540 VanDerWaalsContact O-CB 3.3Å; A536-V540 WeakPolarHBondContact O-CB 3.47Å; A536-V540 PolarHBondContact O-N 3.11Å; A536-L541 PolarHBondContact O-N 3.06Å
537I89.1Confident86.4Confident0 Ų062.1 Ų62.10%035%0.349CS..Iπ-helixtrans-57.6-50.4175-67.4160.6000110.7I427 V460 Q533 A534 L542 P543 F572 M574I427-I537 HydrophobicContact CD1-CG2 4.15Å; I427-I537 HydrophobicContact CG2-CD1 3.7Å; I427-I537 HydrophobicContact CG2-CG1 4.01Å; V460-I537 HydrophobicContact CB-CG1 4.4Å; V460-I537 HydrophobicContact CG1-CG1 4.14Å; V460-I537 HydrophobicContact CG2-CD1 3.78Å; V460-I537 HydrophobicContact CG2-CG1 3.51Å; Q533-I537 VanDerWaalsContact O-CG1 3.26Å; Q533-I537 WeakPolarHBondContact O-CG1 3.38Å; Q533-I537 PolarHBondContact O-N 3.11Å; A534-I537 PolarHBondContact O-N 2.85Å; I537-L542 PolarHBondContact O-N 2.77Å; I537-P543 HydrophobicContact CG2-CG 3.79Å; I537-P543 WeakPolarHBondContact O-CD 3.09Å; I537-F572 HydrophobicContact CG2-CD1 3.6Å; I537-F572 HydrophobicContact CG2-CE1 3.49Å; I537-F572 VanDerWaalsContact CG2-CE1 3.49Å; I537-F572 HydrophobicContact CG2-CZ 4.39Å; I537-M574 HydrophobicContact CD1-CE 4.02Å; I537-M574 HydrophobicContact CD1-SD 3.9Å
538T85.8Confident86Confident65 Ų6567.6 Ų67.640%0.39937%0.37SS..Iπ-helixtrans-77.6-30.4-173.251.50000113.6A534 L535 A536 L542A534-T538 PolarHBondContact O-N 3.06Å; A534-T538 PolarHBondContact O-OG1 3.18Å; A534-T538 VanDerWaalsContact O-OG1 3.14Å; L535-T538 PolarHBondContact O-N 2.95Å; L535-T538 PolarHBondContact O-OG1 2.64Å; L535-T538 VanDerWaalsContact O-OG1 3.12Å; A536-T538 PolarHBondContact O-N 3.25Å; T538-L542 WeakPolarHBondContact O-CD2 3.42Å
539K86.9Confident85.6Confident148 Ų14860.8 Ų60.864%0.64335%0.346SS*.Iπ-helixtrans-100.7-31.1-175.9-66.4-170.9175.71790114.8L535L535-K539 HydrophobicContact CD1-CD 3.73Å; L535-K539 VanDerWaalsContact CD1-CE 3.45Å; L535-K539 HydrophobicContact CD1-CG 4.28Å; L535-K539 HydrophobicContact CG-CD 4.04Å; L535-K539 WeakPolarHBondContact O-CB 3.4Å; L535-K539 PolarHBondContact O-N 2.89Å
540V88Confident85.1Confident82 Ų8266.9 Ų66.950%0.49737%0.371SS..Iπ-helixtrans-110.2-52.4-170.9-175.80000110.8A536A536-V540 WeakPolarHBondContact O-CA 3.3Å; A536-V540 VanDerWaalsContact O-CB 3.3Å; A536-V540 WeakPolarHBondContact O-CB 3.47Å; A536-V540 PolarHBondContact O-N 3.11Å
541L88.1Confident84.7Confident2 Ų265.6 Ų65.61%0.0136%0.363CS..Iπ-helixtrans-86.5-23.5-170.9-59.4175.6000113.3Q453 D455 V460 V462 R464 A536Q453-L541 HydrophobicContact CG-CD2 3.87Å; D455-L541 HydrophobicContact CB-CD1 4.35Å; V460-L541 HydrophobicContact CB-CD1 4.41Å; V460-L541 HydrophobicContact CG1-CD1 3.63Å; V460-L541 HydrophobicContact CG2-CD1 4.38Å; V460-L541 VanDerWaalsContact O-CD1 3.32Å; V460-L541 WeakPolarHBondContact O-CD1 3.43Å; V462-L541 HydrophobicContact CG2-CB 3.71Å; V462-L541 HydrophobicContact CG2-CD1 3.95Å; V462-L541 HydrophobicContact CG2-CG 4.39Å; R464-L541 PolarHBondContact NH2-O 2.91Å; A536-L541 PolarHBondContact O-N 3.06Å
542L87Confident84.4Confident87 Ų8768.2 Ų68.246%0.45537%0.365SS..  trans4358.8170.4-61.9171.9000113.8I537 T538 A544 T545I537-L542 PolarHBondContact O-N 2.77Å; T538-L542 WeakPolarHBondContact O-CD2 3.42Å; L542-A544 PolarHBondContact O-N 3.38Å; L542-A544 VanDerWaalsContact O-N 3.11Å; L542-T545 HydrophobicContact CB-CG2 4.08Å; L542-T545 WeakPolarHBondContact O-CB 3.5Å; L542-T545 WeakPolarHBondContact O-CG2 3.37Å; L542-T545 PolarHBondContact O-N 3.24Å; L542-T545 VanDerWaalsContact O-N 3.11Å; L542-T545 PolarHBondContact O-OG1 3.46Å
543P84.1Confident84Confident12 Ų1265.9 Ų65.98%0.07835%0.35CS..G310 helixtrans-60.6-24.2-174.924.6-34.8000113.5I427 V462 I537 T545 L546 F572I427-P543 HydrophobicContact CD1-CB 4.04Å; I427-P543 HydrophobicContact CD1-CG 3.81Å; I427-P543 HydrophobicContact CG1-CB 4.4Å; V462-P543 HydrophobicContact CG1-CB 3.99Å; V462-P543 HydrophobicContact CG2-CB 4.26Å; I537-P543 HydrophobicContact CG2-CG 3.79Å; I537-P543 WeakPolarHBondContact O-CD 3.09Å; P543-T545 PolarHBondContact O-N 3.35Å; P543-L546 WeakPolarHBondContact O-CB 3.39Å; P543-L546 PolarHBondContact O-N 2.87Å; P543-F572 HydrophobicContact CG-CB 3.79Å; P543-F572 HydrophobicContact CG-CD1 3.93Å; P543-F572 HydrophobicContact CG-CD2 3.85Å; P543-F572 HydrophobicContact CG-CG 3.54Å
544A78.3Confident83.6Confident21 Ų2171.7 Ų71.717%0.17439%0.392CS..G310 helixtrans-55.8-22.8175.200000113.9L542 L546 M547 S570 F572L542-A544 PolarHBondContact O-N 3.38Å; L542-A544 VanDerWaalsContact O-N 3.11Å; A544-L546 PolarHBondContact O-N 2.7Å; A544-M547 PolarHBondContact O-N 2.91Å; A544-S570 PolarHBondContact O-OG 3.19Å; A544-F572 HydrophobicContact CB-CB 4.43Å
545T80.4Confident83Confident96 Ų9674.1 Ų74.159%0.58940%0.401SS*.G310 helixtrans-65.8-15.6175.355.90000114.1R464 L542 P543 M547R464-T545 PolarHBondContact NH1-OG1 3.37Å; L542-T545 HydrophobicContact CB-CG2 4.08Å; L542-T545 WeakPolarHBondContact O-CB 3.5Å; L542-T545 WeakPolarHBondContact O-CG2 3.37Å; L542-T545 PolarHBondContact O-N 3.24Å; L542-T545 VanDerWaalsContact O-N 3.11Å; L542-T545 PolarHBondContact O-OG1 3.46Å; P543-T545 PolarHBondContact O-N 3.35Å; T545-M547 PolarHBondContact O-N 3.22Å
546L76.9Confident82.2Confident65 Ų6576.2 Ų76.234%0.3442%0.417SS..G310 helixtrans-71.3-12.8174-69.7176.2000113.3V462 R464 P543 A544V462-L546 HydrophobicContact CG1-CD1 4.1Å; R464-L546 VanDerWaalsContact NH1-CG 3.3Å; P543-L546 WeakPolarHBondContact O-CB 3.39Å; P543-L546 PolarHBondContact O-N 2.87Å; A544-L546 PolarHBondContact O-N 2.7Å
547M76.6Confident81.4Confident54 Ų5483.2 Ų83.227%0.26645%0.453SS..  trans-125.9134.1-175.7-64.6-160.4158.800111.4L493 I516 T518 A544 T545 S570L493-M547 HydrophobicContact CD2-CE 3.89Å; I516-M547 HydrophobicContact CB-CE 4.23Å; I516-M547 HydrophobicContact CB-SD 3.78Å; I516-M547 HydrophobicContact CD1-SD 3.67Å; I516-M547 HydrophobicContact CG1-SD 4.27Å; I516-M547 HydrophobicContact CG2-CE 3.53Å; I516-M547 HydrophobicContact CG2-SD 3.69Å; T518-M547 HydrophobicContact CG2-CE 3.6Å; A544-M547 PolarHBondContact O-N 2.91Å; T545-M547 PolarHBondContact O-N 3.22Å; M547-S570 PolarHBondContact O-OG 3Å
548L78.5Confident80.6Confident144 Ų14487.8 Ų87.875%0.75448%0.477SS*.  trans-115.3113.7174.5-166.682.3000107.8H550L548-H550 WeakPolarHBondContact CD2-NE2 3.44Å
549C77.7Confident80.1Confident51 Ų5192.8 Ų92.835%0.34550%0.501SS..  trans-103.3127.9-179.5-64.90000109.8V568C549-V568 HydrophobicContact CB-CG1 3.48Å; C549-V568 VanDerWaalsContact CB-CG1 3.48Å
550H79.6Confident79.8Confident159 Ų15990.6 Ų90.674%0.73650%0.495SS*.  trans-120.1143173.6-66.4-60.3000110.2L548L548-H550 WeakPolarHBondContact CD2-NE2 3.44Å
551V80.6Confident79.5Confident43 Ų4390.1 Ų90.126%0.26149%0.494SS..  trans-111.5134.117364.50000109.3A562 F566 V568V551-A562 HydrophobicContact CB-CB 4.48Å; V551-A562 HydrophobicContact CG1-CB 4.04Å; V551-A562 HydrophobicContact CG2-CB 4.02Å; V551-F566 HydrophobicContact CG1-CB 4.41Å; V551-V568 HydrophobicContact CB-CG2 3.75Å; V551-V568 HydrophobicContact CG1-CG2 3.56Å
552Q83.4Confident79.2Confident165 Ų16590.2 Ų90.277%0.77150%0.495SS*.  trans-140143.3177.6-173.5178.5-10.400109.1
553F82.8Confident78.9Confident64 Ų6489.9 Ų89.928%0.28150%0.5SS..  trans-73.3134168.7-65.8-54.8000109.5N555 L558 I560 A562 V565 F566F553-N555 PolarHBondContact O-N 3.43Å; F553-L558 HydrophobicContact CB-CD1 4.2Å; F553-L558 HydrophobicContact CD1-CD1 4.38Å; F553-L558 HydrophobicContact CD2-CB 4.37Å; F553-L558 HydrophobicContact CD2-CD1 3.83Å; F553-L558 HydrophobicContact CE2-CD1 4.29Å; F553-L558 HydrophobicContact CG-CD1 3.89Å; F553-I560 WeakPolarHBondContact CE2-O 3.04Å; F553-A562 HydrophobicContact CD1-CB 4.1Å; F553-A562 HydrophobicContact CD2-CB 3.75Å; F553-A562 HydrophobicContact CE1-CB 4.03Å; F553-A562 VanDerWaalsContact CE2-CA 3.42Å; F553-A562 HydrophobicContact CE2-CB 3.69Å; F553-A562 HydrophobicContact CG-CB 3.95Å; F553-A562 HydrophobicContact CZ-CB 3.83Å; F553-V565 HydrophobicContact CZ-CB 4.46Å; F553-V565 HydrophobicContact CZ-CG2 4.34Å; F553-F566 HydrophobicContact CE1-CE2 4.07Å; F553-F566 HydrophobicContact CZ-CE2 4.21Å
554S82.1Confident78.7Confident130 Ų13097.5 Ų97.591%0.90953%0.532SS*.SBendtrans-63.9-28171.454.10000112
555N78Confident78.8Confident78 Ų7899.2 Ų99.242%0.41754%0.54SS..  trans-85.1115.8176.1-171-12.3000110.9F553 L557 L558F553-N555 PolarHBondContact O-N 3.43Å; N555-L557 VanDerWaalsContact C-N 3.3Å; N555-L557 PolarHBondContact O-N 2.77Å; N555-L557 VanDerWaalsContact OD1-CB 3.23Å; N555-L557 WeakPolarHBondContact OD1-CB 3.29Å; N555-L557 WeakPolarHBondContact OD1-CG 3.26Å; N555-L557 PolarHBondContact OD1-N 3.32Å; N555-L558 HydrophobicContact CB-CD1 4.5Å
556T72.1Confident78.9Confident127 Ų12796.9 Ų96.978%0.77952%0.522SS*.THydrogen-bonded Turntrans-81.8-2.9179.855.90000114.1L558T556-L558 VanDerWaalsContact C-N 3.32Å
557L73.1Confident79Confident154 Ų154101.4 Ų101.481%0.80654%0.541SS*.THydrogen-bonded Turntrans-84.1-6.7179.4-60.4168.2000113.2N555N555-L557 VanDerWaalsContact C-N 3.3Å; N555-L557 PolarHBondContact O-N 2.77Å; N555-L557 VanDerWaalsContact OD1-CB 3.23Å; N555-L557 WeakPolarHBondContact OD1-CB 3.29Å; N555-L557 WeakPolarHBondContact OD1-CG 3.26Å; N555-L557 PolarHBondContact OD1-N 3.32Å
558L73.3Confident79.2Confident96 Ų96101.8 Ų101.850%0.50355%0.547SS..  trans-84.5118.1175.9-72.9165.2000109.6F553 N555 T556 I560F553-L558 HydrophobicContact CB-CD1 4.2Å; F553-L558 HydrophobicContact CD1-CD1 4.38Å; F553-L558 HydrophobicContact CD2-CB 4.37Å; F553-L558 HydrophobicContact CD2-CD1 3.83Å; F553-L558 HydrophobicContact CE2-CD1 4.29Å; F553-L558 HydrophobicContact CG-CD1 3.89Å; N555-L558 HydrophobicContact CB-CD1 4.5Å; T556-L558 VanDerWaalsContact C-N 3.32Å; L558-I560 PolarHBondContact O-N 2.83Å; L558-I560 VanDerWaalsContact O-N 3.11Å
559D74.7Confident79.2Confident171 Ų171101.3 Ų101.391%0.91454%0.54SS*.SBendtrans-767.4-178.8-135.59.6000113.6
560I80.6Confident79.3Confident101 Ų101101.4 Ų101.452%0.51854%0.542SS..SBendtrans-120.3122.1-179.6-56.2174.4000108.5F553 L558 K564 V565F553-I560 WeakPolarHBondContact CE2-O 3.04Å; L558-I560 PolarHBondContact O-N 2.83Å; L558-I560 VanDerWaalsContact O-N 3.11Å; I560-K564 HydrophobicContact CG2-CB 4.14Å; I560-V565 HydrophobicContact CG2-CG2 3.92Å
561P81.4Confident79.3Confident73 Ų73101 Ų10147%0.47455%0.545SS..  trans-69.6141.7177.928.4-33.5000110.8S563 K564P561-S563 PolarHBondContact O-N 3.36Å; P561-S563 VanDerWaalsContact O-N 3.09Å; P561-K564 HydrophobicContact CG-CB 4.28Å; P561-K564 HydrophobicContact CG-CG 3.62Å; P561-K564 WeakPolarHBondContact O-CB 3.37Å; P561-K564 PolarHBondContact O-N 2.91Å
562A81.8Confident79.2Confident3 Ų3101.2 Ų101.23%0.02554%0.542CS..G310 helixtrans-57.1-29.2-178.200000113.3V551 F553 K564 V565 F566V551-A562 HydrophobicContact CB-CB 4.48Å; V551-A562 HydrophobicContact CG1-CB 4.04Å; V551-A562 HydrophobicContact CG2-CB 4.02Å; F553-A562 HydrophobicContact CD1-CB 4.1Å; F553-A562 HydrophobicContact CD2-CB 3.75Å; F553-A562 HydrophobicContact CE1-CB 4.03Å; F553-A562 VanDerWaalsContact CE2-CA 3.42Å; F553-A562 HydrophobicContact CE2-CB 3.69Å; F553-A562 HydrophobicContact CG-CB 3.95Å; F553-A562 HydrophobicContact CZ-CB 3.83Å; A562-K564 PolarHBondContact O-N 3.22Å; A562-V565 PolarHBondContact O-N 3.2Å; A562-F566 PolarHBondContact O-N 3.09Å
563S80.1Confident78.7Confident81 Ų8196.4 Ų96.457%0.56653%0.527SS*.G310 helixtrans-65.9-16.8175.558.90000114.7P561P561-S563 PolarHBondContact O-N 3.36Å; P561-S563 VanDerWaalsContact O-N 3.09Å
564K80.9Confident78Confident172 Ų17296.4 Ų96.475%0.74853%0.529SS*.G310 helixtrans-85.8-16.5172.6-69.2-75.1-176.81800112.8I560 P561 A562I560-K564 HydrophobicContact CG2-CB 4.14Å; P561-K564 HydrophobicContact CG-CB 4.28Å; P561-K564 HydrophobicContact CG-CG 3.62Å; P561-K564 WeakPolarHBondContact O-CB 3.37Å; P561-K564 PolarHBondContact O-N 2.91Å; A562-K564 PolarHBondContact O-N 3.22Å
565V80.7Confident76.9Confident56 Ų5695.3 Ų95.334%0.33951%0.509SS..THydrogen-bonded Turntrans-104-39.1-178.3-175.60000111F553 I560 A562F553-V565 HydrophobicContact CZ-CB 4.46Å; F553-V565 HydrophobicContact CZ-CG2 4.34Å; I560-V565 HydrophobicContact CG2-CG2 3.92Å; A562-V565 PolarHBondContact O-N 3.2Å
566F81.3Confident75.9Confident47 Ų4796.8 Ų96.821%0.20651%0.512CS..  trans-121.7132.2-179.1-60.2-72.9000110.8L503 V551 F553 A562L503-F566 HydrophobicContact CB-CE1 3.85Å; L503-F566 HydrophobicContact CB-CZ 3.93Å; V551-F566 HydrophobicContact CG1-CB 4.41Å; F553-F566 HydrophobicContact CE1-CE2 4.07Å; F553-F566 HydrophobicContact CZ-CE2 4.21Å; A562-F566 PolarHBondContact O-N 3.09Å
567Q80.3Confident74.1Confident160 Ų16097.7 Ų97.775%0.74851%0.512SS*.  trans-94.6127.1174-162.3175.8200109.4H569Q567-H569 WeakPolarHBondContact CG-CE1 3.34Å; Q567-H569 PolarHBondContact NE2-CE1 3.06Å; Q567-H569 PolarHBondContact NE2-NE2 3.26Å
568V79.9Confident71.8Confident63 Ų6398.3 Ų98.338%0.38251%0.51SS..  trans-112.2129178.9-176.70000108.6C549 V551C549-V568 HydrophobicContact CB-CG1 3.48Å; C549-V568 VanDerWaalsContact CB-CG1 3.48Å; V551-V568 HydrophobicContact CB-CG2 3.75Å; V551-V568 HydrophobicContact CG1-CG2 3.56Å
569H79.1Confident69.7Low133 Ų13399.1 Ų99.162%0.61652%0.522SS*.  trans-128.1139.8171.7-56.6101.7000108.9Q567Q567-H569 WeakPolarHBondContact CG-CE1 3.34Å; Q567-H569 PolarHBondContact NE2-CE1 3.06Å; Q567-H569 PolarHBondContact NE2-NE2 3.26Å
570S80.6Confident67.3Low54 Ų5499.7 Ų99.738%0.37852%0.52SS..  trans-85.5131.3163.450.60000108.4A544 M547A544-S570 PolarHBondContact O-OG 3.19Å; M547-S570 PolarHBondContact O-OG 3Å
571D78.1Confident64.9Low149 Ų149102.9 Ų102.980%0.79754%0.538SS*.  trans-138.9159173.6-160.43.4000109.2
572F79.2Confident62.4Low49 Ų49105.4 Ų105.422%0.21556%0.557CS.*  trans-108.7127.1179.1174.7-101.8000110.3I427 I537 P543 A544 M574I427-F572 HydrophobicContact CD1-CD1 4.36Å; I427-F572 HydrophobicContact CD1-CD2 3.8Å; I427-F572 HydrophobicContact CD1-CE1 3.75Å; I427-F572 HydrophobicContact CD1-CE2 3.12Å; I427-F572 HydrophobicContact CD1-CG 4.38Å; I427-F572 HydrophobicContact CD1-CZ 3.1Å; I537-F572 HydrophobicContact CG2-CD1 3.6Å; I537-F572 HydrophobicContact CG2-CE1 3.49Å; I537-F572 VanDerWaalsContact CG2-CE1 3.49Å; I537-F572 HydrophobicContact CG2-CZ 4.39Å; P543-F572 HydrophobicContact CG-CB 3.79Å; P543-F572 HydrophobicContact CG-CD1 3.93Å; P543-F572 HydrophobicContact CG-CD2 3.85Å; P543-F572 HydrophobicContact CG-CG 3.54Å; A544-F572 HydrophobicContact CB-CB 4.43Å; F572-M574 HydrophobicContact CE1-CG 3.66Å; F572-M574 HydrophobicContact CE1-SD 3.44Å; F572-M574 WeakPolarHBondContact CE1-SD 3.44Å; F572-M574 HydrophobicContact CZ-CG 4.26Å; F572-M574 HydrophobicContact CZ-SD 3.7Å
573S73.4Confident59.7Low63 Ų63109.4 Ų109.444%0.44159%0.59SS.*  trans-114.6131.8177.1176.30000110.4E575S573-E575 VanDerWaalsContact C-N 3.3Å; S573-E575 PolarHBondContact OG-N 2.92Å
574M67.4Low57.2Low65 Ų65112.9 Ų112.932%0.3260%0.601SS.*  trans-80.8-8.8171.7-68.9-76.3-84.500112.6L525 C529 A534 I537 F572L525-M574 HydrophobicContact CD1-SD 4.24Å; L525-M574 HydrophobicContact CD2-CE 4.42Å; C529-M574 HydrophobicContact CB-CE 3.71Å; A534-M574 HydrophobicContact CB-CE 3.89Å; I537-M574 HydrophobicContact CD1-CE 4.02Å; I537-M574 HydrophobicContact CD1-SD 3.9Å; F572-M574 HydrophobicContact CE1-CG 3.66Å; F572-M574 HydrophobicContact CE1-SD 3.44Å; F572-M574 WeakPolarHBondContact CE1-SD 3.44Å; F572-M574 HydrophobicContact CZ-CG 4.26Å; F572-M574 HydrophobicContact CZ-SD 3.7Å
575E59.5Low54.8Low106 Ų106111.3 Ų111.350%0.49560%0.6SS.*  trans-105.430.1-153.5-66.8179.4168.100116.5S573 D577 H578S573-E575 VanDerWaalsContact C-N 3.3Å; S573-E575 PolarHBondContact OG-N 2.92Å; E575-D577 CarbonylContact O-C 3.4Å; E575-D577 VanDerWaalsContact O-CA 3.31Å; E575-D577 WeakPolarHBondContact O-CA 3.44Å; E575-D577 PolarHBondContact O-N 2.93Å; E575-H578 WeakPolarHBondContact CB-O 3.42Å; E575-H578 WeakPolarHBondContact CG-O 3.23Å; E575-H578 PolarHBondContact O-N 3.48Å
576K55.9Low52.4Low109 Ų109116.9 Ų116.947%0.47462%0.62SS.*SBendtrans-79.559.4146.4-78.6-171.9176.7-179.80106.8S496S496-K576 PolarHBondContact OG-NZ 3.4Å
577D35.2Very low50.1Low147 Ų147124.5 Ų124.579%0.78665%0.647SS**SBend-148.2135.873.8-67.1-46.7000115.5E575E575-D577 CarbonylContact O-C 3.4Å; E575-D577 VanDerWaalsContact O-CA 3.31Å; E575-D577 WeakPolarHBondContact O-CA 3.44Å; E575-D577 PolarHBondContact O-N 2.93Å
578H24.9Very low47.9Very low167 Ų167127 Ų12777%0.77366%0.656SS**  trans92.2122.4171.4-84.268.7000119.4E575E575-H578 WeakPolarHBondContact CB-O 3.42Å; E575-H578 WeakPolarHBondContact CG-O 3.23Å; E575-H578 PolarHBondContact O-N 3.48Å
579C28.8Very low46.3Very low112 Ų112129.9 Ų129.976%0.75767%0.674SS**  trans-80143.8175.7-76.30000112.7
580E25Very low44.6Very low184 Ų184125.3 Ų125.386%0.8666%0.662SS**  trans-152.7144132.4-119.8175.9-17200112.7
581D29.1Very low43.2Very low168 Ų168126.8 Ų126.890%0.89867%0.673SS**  trans-65.5144.7-175.9-80.4-45.1000113.3
582S28.7Very low42.1Very low125 Ų125128.8 Ų128.887%0.87467%0.671SS**  trans-141.6143.5151.6680000111.4
583A24.9Very low40.9Very low88 Ų88133 Ų13373%0.72769%0.691SS**  trans-115.6160.6-162.500000113.2
584I29.4Very low40.2Very low153 Ų153135.5 Ų135.579%0.78570%0.698SS**  trans98135.4148.4-57.7172.4000121.1
585L30.4Very low39.9Very low139 Ų139137.3 Ų137.373%0.72871%0.709SS**  trans103.5133.9150.8-123.970.8000115.9
586K28.4Very low40.2Very low174 Ų174136.2 Ų136.276%0.75771%0.706SS**  cis-167.2135.229.1-157.1166.6-159.61750111.3
587R34.8Very low40.7Very low206 Ų206137 Ų13778%0.77771%0.714SS**  trans31.3134.1153.5-73.3-174.6175.1-179.5-1.4122.7
588F33.8Very low42.4Very low214 Ų214133.6 Ų133.694%0.93970%0.699SS**  -14087126.6-100-77.9000111.1G590F588-G590 VanDerWaalsContact C-N 3.33Å; F588-G590 PolarHBondContact O-N 3.11Å
589T45.9Very low44.8Very low122 Ų122130.3 Ų130.375%0.74869%0.687SS**  trans-95.357.6172.2-34.50000109.6
590G42.2Very low47.1Very low37 Ų37131.6 Ų131.638%0.38168%0.68SS.*SBendtrans-122.9-30.1-175.600000114.9F588F588-G590 VanDerWaalsContact C-N 3.33Å; F588-G590 PolarHBondContact O-N 3.11Å
591S52.3Low49.4Very low86 Ų86125.8 Ų125.860%0.60166%0.663SS**Hα-helixtrans-91.4-32.4-169.1-159.90000114.4L595S591-L595 WeakPolarHBondContact O-CB 3.47Å; S591-L595 PolarHBondContact O-N 3.13Å; S591-L595 VanDerWaalsContact O-N 3.13Å
592Y55.1Low51.8Low190 Ų190121.7 Ų121.775%0.74564%0.644SS**Hα-helixtrans-73.4-34.5-174-89.4-83.6000113.8L595 L596Y592-L595 PolarHBondContact O-N 2.93Å; Y592-L596 WeakPolarHBondContact O-CB 3.35Å; Y592-L596 WeakPolarHBondContact O-CD1 3.44Å; Y592-L596 PolarHBondContact O-N 3.44Å
593Q53.6Low54.3Low139 Ų139120.4 Ų120.465%0.6563%0.627SS**Hα-helixtrans-67.4-38.3178.7-72.5-92.6-42.100111.7L597Q593-L597 PolarHBondContact O-N 3.19Å; Q593-L597 VanDerWaalsContact O-N 3.07Å
594I59.1Low56.7Low114 Ų114119 Ų11959%0.58562%0.615SS**Hα-helixtrans-71.2-41.6176.7-61.6171.5000110.2L596 L597 T598I594-L596 PolarHBondContact O-N 3.49Å; I594-L597 PolarHBondContact O-N 3.39Å; I594-T598 WeakPolarHBondContact O-CG2 3.21Å; I594-T598 PolarHBondContact O-N 2.78Å; I594-T598 PolarHBondContact O-OG1 2.89Å
595L60.8Low58.9Low104 Ų104114.4 Ų114.455%0.54560%0.597SS.*Hα-helixtrans-63.1-42.3177-153.9103.8000111.8S591 Y592 T598 L599S591-L595 WeakPolarHBondContact O-CB 3.47Å; S591-L595 PolarHBondContact O-N 3.13Å; S591-L595 VanDerWaalsContact O-N 3.13Å; Y592-L595 PolarHBondContact O-N 2.93Å; L595-T598 WeakPolarHBondContact CA-OG1 3.37Å; L595-T598 PolarHBondContact O-N 3.37Å; L595-T598 PolarHBondContact O-OG1 3.34Å; L595-L599 WeakPolarHBondContact O-CB 3.38Å; L595-L599 PolarHBondContact O-N 3.07Å
596L65.8Low61.2Low83 Ų83111 Ų11144%0.43558%0.582SS.*Hα-helixtrans-63-44.8175.5-90.3149.9000111.8Y592 I594 T598 L599 F600Y592-L596 WeakPolarHBondContact O-CB 3.35Å; Y592-L596 WeakPolarHBondContact O-CD1 3.44Å; Y592-L596 PolarHBondContact O-N 3.44Å; I594-L596 PolarHBondContact O-N 3.49Å; L596-T598 PolarHBondContact O-N 3.06Å; L596-L599 PolarHBondContact O-N 2.99Å; L596-F600 HydrophobicContact CD2-CD2 4.44Å; L596-F600 HydrophobicContact CD2-CE2 3.89Å; L596-F600 WeakPolarHBondContact O-CD2 3.44Å; L596-F600 PolarHBondContact O-N 2.96Å
597L67.2Low63.6Low124 Ų124105.1 Ų105.165%0.64957%0.565SS**Hα-helixtrans-61-41.8175.1-94150.9000112.4Q593 I594 A601Q593-L597 PolarHBondContact O-N 3.19Å; Q593-L597 VanDerWaalsContact O-N 3.07Å; I594-L597 PolarHBondContact O-N 3.39Å; L597-A601 WeakPolarHBondContact O-CB 3.28Å; L597-A601 PolarHBondContact O-N 2.93Å
598T69.9Low65.5Low77 Ų7799.2 Ų99.247%0.47256%0.556SS.*Hα-helixtrans-67-38.4175.353.70000112.4I594 L595 L596 A601 V602I594-T598 WeakPolarHBondContact O-CG2 3.21Å; I594-T598 PolarHBondContact O-N 2.78Å; I594-T598 PolarHBondContact O-OG1 2.89Å; L595-T598 WeakPolarHBondContact CA-OG1 3.37Å; L595-T598 PolarHBondContact O-N 3.37Å; L595-T598 PolarHBondContact O-OG1 3.34Å; L596-T598 PolarHBondContact O-N 3.06Å; T598-A601 PolarHBondContact O-N 2.87Å; T598-V602 VanDerWaalsContact O-CG2 3.28Å; T598-V602 WeakPolarHBondContact O-CG2 3.46Å; T598-V602 PolarHBondContact O-N 3.26Å
599L74.7Confident67.6Low97 Ų9794.5 Ų94.551%0.50854%0.539SS..Hα-helixtrans-66.2-43.3178.3-164.380.7000111L595 L596 V602 L603L595-L599 WeakPolarHBondContact O-CB 3.38Å; L595-L599 PolarHBondContact O-N 3.07Å; L596-L599 PolarHBondContact O-N 2.99Å; L599-V602 PolarHBondContact O-N 3.02Å; L599-L603 HydrophobicContact CD2-CD1 4.35Å; L599-L603 HydrophobicContact CG-CD1 4.1Å; L599-L603 WeakPolarHBondContact O-CB 3.37Å; L599-L603 VanDerWaalsContact O-CG 3.28Å; L599-L603 WeakPolarHBondContact O-CG 3.28Å; L599-L603 PolarHBondContact O-N 3.47Å
600F77.4Confident69.1Low139 Ų13995.1 Ų95.161%0.6153%0.532SS*.Hα-helixtrans-65.1-38.4176.1-84.2-69.1000112.5L596 L603 A604L596-F600 HydrophobicContact CD2-CD2 4.44Å; L596-F600 HydrophobicContact CD2-CE2 3.89Å; L596-F600 WeakPolarHBondContact O-CD2 3.44Å; L596-F600 PolarHBondContact O-N 2.96Å; F600-L603 PolarHBondContact O-N 2.92Å; F600-A604 VanDerWaalsContact O-CB 3.31Å; F600-A604 WeakPolarHBondContact O-CB 3.45Å; F600-A604 PolarHBondContact O-N 3.49Å
601A74.4Confident70.8Confident62 Ų6299.3 Ų99.351%0.51255%0.545SS..Hα-helixtrans-65.9-39.7175.700000112.6L597 T598 S605L597-A601 WeakPolarHBondContact O-CB 3.28Å; L597-A601 PolarHBondContact O-N 2.93Å; T598-A601 PolarHBondContact O-N 2.87Å; A601-S605 WeakPolarHBondContact O-CB 3.48Å; A601-S605 PolarHBondContact O-N 3.37Å; A601-S605 PolarHBondContact O-OG 3.21Å
602V78.9Confident71.8Confident83 Ų8398.3 Ų98.350%0.50354%0.542SS..Hα-helixtrans-71.2-38.9176.5173.40000111.6T598 L599 S605 T606T598-V602 VanDerWaalsContact O-CG2 3.28Å; T598-V602 WeakPolarHBondContact O-CG2 3.46Å; T598-V602 PolarHBondContact O-N 3.26Å; L599-V602 PolarHBondContact O-N 3.02Å; V602-S605 WeakPolarHBondContact CA-OG 3.32Å; V602-S605 PolarHBondContact O-N 2.74Å; V602-S605 PolarHBondContact O-OG 3.41Å; V602-T606 HydrophobicContact CG1-CG2 4.33Å; V602-T606 WeakPolarHBondContact O-CB 3.39Å; V602-T606 VanDerWaalsContact O-CG2 3.32Å; V602-T606 WeakPolarHBondContact O-CG2 3.28Å; V602-T606 PolarHBondContact O-N 2.9Å; V602-T606 PolarHBondContact O-OG1 3.45Å
603L80.6Confident72.7Confident98 Ų9895.8 Ų95.851%0.51353%0.532SS..Hα-helixtrans-66.7-39.6175.3-73.6170.4000111.7L599 F600 T606 A607L599-L603 HydrophobicContact CD2-CD1 4.35Å; L599-L603 HydrophobicContact CG-CD1 4.1Å; L599-L603 WeakPolarHBondContact O-CB 3.37Å; L599-L603 VanDerWaalsContact O-CG 3.28Å; L599-L603 WeakPolarHBondContact O-CG 3.28Å; L599-L603 PolarHBondContact O-N 3.47Å; F600-L603 PolarHBondContact O-N 2.92Å; L603-T606 WeakPolarHBondContact CA-OG1 3.34Å; L603-T606 PolarHBondContact O-OG1 2.94Å; L603-T606 VanDerWaalsContact O-OG1 3.08Å; L603-A607 VanDerWaalsContact O-CB 3.28Å; L603-A607 WeakPolarHBondContact O-CB 3.31Å; L603-A607 PolarHBondContact O-N 3.08Å
604A76.1Confident73.3Confident57 Ų5791.6 Ų91.647%0.47151%0.514SS..Hα-helixtrans-64.4-44.6174.700000111.8F600 A607 S608F600-A604 VanDerWaalsContact O-CB 3.31Å; F600-A604 WeakPolarHBondContact O-CB 3.45Å; F600-A604 PolarHBondContact O-N 3.49Å; A604-A607 PolarHBondContact O-N 3.41Å; A604-S608 PolarHBondContact O-N 2.93Å; A604-S608 PolarHBondContact O-OG 3.01Å; A604-S608 VanDerWaalsContact O-OG 3.1Å
605S75.4Confident73.6Confident57 Ų5789.3 Ų89.340%0.39951%0.512SS..Hα-helixtrans-68.1-39.917964.90000112.6A601 V602 S608 I609A601-S605 WeakPolarHBondContact O-CB 3.48Å; A601-S605 PolarHBondContact O-N 3.37Å; A601-S605 PolarHBondContact O-OG 3.21Å; V602-S605 WeakPolarHBondContact CA-OG 3.32Å; V602-S605 PolarHBondContact O-N 2.74Å; V602-S605 PolarHBondContact O-OG 3.41Å; S605-S608 PolarHBondContact O-N 3.1Å; S605-I609 WeakPolarHBondContact O-CB 3.24Å; S605-I609 WeakPolarHBondContact O-CD1 3.35Å; S605-I609 VanDerWaalsContact O-CG1 3.24Å; S605-I609 WeakPolarHBondContact O-CG1 3.09Å; S605-I609 PolarHBondContact O-N 2.82Å
606T78.4Confident73.9Confident69 Ų6990.6 Ų90.642%0.42351%0.514SS..Hα-helixtrans-67.4-36.2174.949.80000112.5V602 L603 I609 F610V602-T606 HydrophobicContact CG1-CG2 4.33Å; V602-T606 WeakPolarHBondContact O-CB 3.39Å; V602-T606 VanDerWaalsContact O-CG2 3.32Å; V602-T606 WeakPolarHBondContact O-CG2 3.28Å; V602-T606 PolarHBondContact O-N 2.9Å; V602-T606 PolarHBondContact O-OG1 3.45Å; L603-T606 WeakPolarHBondContact CA-OG1 3.34Å; L603-T606 PolarHBondContact O-OG1 2.94Å; L603-T606 VanDerWaalsContact O-OG1 3.08Å; T606-I609 PolarHBondContact O-N 3.36Å; T606-F610 VanDerWaalsContact O-CB 3.24Å; T606-F610 WeakPolarHBondContact O-CB 3.5Å; T606-F610 PolarHBondContact O-N 3Å
607A78.3Confident73.5Confident49 Ų4989.4 Ų89.441%0.40551%0.507SS..Hα-helixtrans-65.7-41.4173.100000112.1L603 A604 F610 L611L603-A607 VanDerWaalsContact O-CB 3.28Å; L603-A607 WeakPolarHBondContact O-CB 3.31Å; L603-A607 PolarHBondContact O-N 3.08Å; A604-A607 PolarHBondContact O-N 3.41Å; A607-F610 PolarHBondContact O-N 3Å; A607-L611 WeakPolarHBondContact O-CB 3.17Å; A607-L611 WeakPolarHBondContact O-CG 3.05Å; A607-L611 PolarHBondContact O-N 2.88Å
608S75.8Confident73.1Confident82 Ų8290.6 Ų90.657%0.57351%0.514SS*.Hα-helixtrans-63.4-41.7174-60.50000112.3A604 S605 A612A604-S608 PolarHBondContact O-N 2.93Å; A604-S608 PolarHBondContact O-OG 3.01Å; A604-S608 VanDerWaalsContact O-OG 3.1Å; S605-S608 PolarHBondContact O-N 3.1Å; S608-A612 WeakPolarHBondContact O-CB 3.5Å; S608-A612 PolarHBondContact O-N 3.41Å
609I78.1Confident72.4Confident116 Ų11695.9 Ų95.960%0.59553%0.531SS*.Hα-helixtrans-67.4-42.1176.3-67.9164.8000110.8S605 T606 A612 Y613S605-I609 WeakPolarHBondContact O-CB 3.24Å; S605-I609 WeakPolarHBondContact O-CD1 3.35Å; S605-I609 VanDerWaalsContact O-CG1 3.24Å; S605-I609 WeakPolarHBondContact O-CG1 3.09Å; S605-I609 PolarHBondContact O-N 2.82Å; T606-I609 PolarHBondContact O-N 3.36Å; I609-A612 PolarHBondContact O-N 2.78Å; I609-Y613 WeakPolarHBondContact O-CB 3.24Å; I609-Y613 PolarHBondContact O-N 3.38Å
610F77.7Confident71.6Confident134 Ų13495.8 Ų95.859%0.58853%0.53SS*.Hα-helixtrans-66.5-37.7178.8-175.5-99.1000112.4T606 A607 N614T606-F610 VanDerWaalsContact O-CB 3.24Å; T606-F610 WeakPolarHBondContact O-CB 3.5Å; T606-F610 PolarHBondContact O-N 3Å; A607-F610 PolarHBondContact O-N 3Å; F610-N614 VanDerWaalsContact CD1-ND2 3.3Å; F610-N614 WeakPolarHBondContact CD1-ND2 3.35Å; F610-N614 WeakPolarHBondContact CD2-ND2 3.43Å; F610-N614 WeakPolarHBondContact CE1-ND2 3.41Å; F610-N614 WeakPolarHBondContact CE2-ND2 3.3Å; F610-N614 WeakPolarHBondContact CG-ND2 3.49Å; F610-N614 WeakPolarHBondContact CZ-ND2 3.41Å; F610-N614 WeakPolarHBondContact O-CB 2.99Å; F610-N614 PolarHBondContact O-N 2.95Å; F610-N614 PolarHBondContact O-ND2 2.95Å
611L77.1Confident70.1Confident125 Ų12596.9 Ų96.965%0.65454%0.537SS*.Hα-helixtrans-69.1-42.4174.3-78166.1000111.7A607 A615A607-L611 WeakPolarHBondContact O-CB 3.17Å; A607-L611 WeakPolarHBondContact O-CG 3.05Å; A607-L611 PolarHBondContact O-N 2.88Å; L611-A615 WeakPolarHBondContact O-CB 3.21Å; L611-A615 PolarHBondContact O-N 3.01Å
612A73.4Confident68.5Low65 Ų65100.5 Ų100.554%0.53755%0.553SS.*Hα-helixtrans-64.5-41.1174.400000111.9S608 I609 F616S608-A612 WeakPolarHBondContact O-CB 3.5Å; S608-A612 PolarHBondContact O-N 3.41Å; I609-A612 PolarHBondContact O-N 2.78Å; A612-F616 VanDerWaalsContact O-CB 3.28Å; A612-F616 WeakPolarHBondContact O-CB 3.28Å; A612-F616 PolarHBondContact O-N 2.93Å
613Y73.1Confident66.6Low137 Ų137102.2 Ų102.254%0.53756%0.563SS.*Hα-helixtrans-69.6-41.1179.5-174.7-109.7000112.4I609 F616 L617I609-Y613 WeakPolarHBondContact O-CB 3.24Å; I609-Y613 PolarHBondContact O-N 3.38Å; Y613-F616 PolarHBondContact O-N 3.45Å; Y613-L617 HydrophobicContact CD1-CD1 3.65Å; Y613-L617 HydrophobicContact CD1-CG 4.44Å; Y613-L617 HydrophobicContact CE1-CD1 3.12Å; Y613-L617 HydrophobicContact CE1-CG 4.11Å; Y613-L617 HydrophobicContact CE2-CD1 4.17Å; Y613-L617 HydrophobicContact CE2-CG 4.35Å; Y613-L617 HydrophobicContact CG-CD1 4.36Å; Y613-L617 VanDerWaalsContact CZ-CD1 3.41Å; Y613-L617 WeakPolarHBondContact O-CB 3.42Å; Y613-L617 PolarHBondContact O-N 2.91Å
614N66.8Low64.6Low51 Ų51103 Ų10327%0.27357%0.574SS.*Hα-helixtrans-73.7-33.3174.8-80.5-66.2000113.3F610 F616 L617 N618F610-N614 VanDerWaalsContact CD1-ND2 3.3Å; F610-N614 WeakPolarHBondContact CD1-ND2 3.35Å; F610-N614 WeakPolarHBondContact CD2-ND2 3.43Å; F610-N614 WeakPolarHBondContact CE1-ND2 3.41Å; F610-N614 WeakPolarHBondContact CE2-ND2 3.3Å; F610-N614 WeakPolarHBondContact CG-ND2 3.49Å; F610-N614 WeakPolarHBondContact CZ-ND2 3.41Å; F610-N614 WeakPolarHBondContact O-CB 2.99Å; F610-N614 PolarHBondContact O-N 2.95Å; F610-N614 PolarHBondContact O-ND2 2.95Å; N614-F616 PolarHBondContact O-N 3.43Å; N614-L617 PolarHBondContact O-N 2.81Å; N614-N618 VanDerWaalsContact O-CB 3.3Å; N614-N618 WeakPolarHBondContact O-CB 3.3Å; N614-N618 PolarHBondContact O-N 3.31Å
615A66.5Low62.6Low67 Ų67106.2 Ų106.255%0.55459%0.587SS**Hα-helixtrans-65-30.7170.700000111.7L611L611-A615 WeakPolarHBondContact O-CB 3.21Å; L611-A615 PolarHBondContact O-N 3.01Å
616F65.5Low60.6Low131 Ų131109.5 Ų109.558%0.57561%0.605SS**Hα-helixtrans-77.5-41.6174.3-172.3-102000112.6A612 Y613 N614 K619 I620A612-F616 VanDerWaalsContact O-CB 3.28Å; A612-F616 WeakPolarHBondContact O-CB 3.28Å; A612-F616 PolarHBondContact O-N 2.93Å; Y613-F616 PolarHBondContact O-N 3.45Å; N614-F616 PolarHBondContact O-N 3.43Å; F616-K619 PolarHBondContact O-N 3.12Å; F616-I620 HydrophobicContact CD1-CD1 4.4Å; F616-I620 HydrophobicContact CD2-CD1 4.48Å; F616-I620 HydrophobicContact CE1-CD1 3.83Å; F616-I620 HydrophobicContact CE2-CD1 3.91Å; F616-I620 HydrophobicContact CZ-CD1 3.56Å
617L58.5Low58.3Low58 Ų58116.3 Ų116.330%0.30462%0.624SS.*Hα-helixtrans-72-35.8178.6-82.5176.2000113.7Y613 N614 K619 I620Y613-L617 HydrophobicContact CD1-CD1 3.65Å; Y613-L617 HydrophobicContact CD1-CG 4.44Å; Y613-L617 HydrophobicContact CE1-CD1 3.12Å; Y613-L617 HydrophobicContact CE1-CG 4.11Å; Y613-L617 HydrophobicContact CE2-CD1 4.17Å; Y613-L617 HydrophobicContact CE2-CG 4.35Å; Y613-L617 HydrophobicContact CG-CD1 4.36Å; Y613-L617 VanDerWaalsContact CZ-CD1 3.41Å; Y613-L617 WeakPolarHBondContact O-CB 3.42Å; Y613-L617 PolarHBondContact O-N 2.91Å; N614-L617 PolarHBondContact O-N 2.81Å; L617-K619 PolarHBondContact O-N 3.08Å; L617-K619 VanDerWaalsContact O-N 3.08Å; L617-I620 PolarHBondContact O-N 3.26Å; L617-I620 VanDerWaalsContact O-N 3.12Å
618N57.5Low56.1Low149 Ų149119.2 Ų119.280%0.79764%0.637SS**THydrogen-bonded Turntrans-66.6-6.3172.8-85.5-23.3000113.4N614N614-N618 VanDerWaalsContact O-CB 3.3Å; N614-N618 WeakPolarHBondContact O-CB 3.3Å; N614-N618 PolarHBondContact O-N 3.31Å
619K56.6Low54Low187 Ų187120.8 Ų120.881%0.81365%0.645SS**THydrogen-bonded Turntrans-100.7-10.7172.9-108.7-170.5-179.6-175.40114.6F616 L617F616-K619 PolarHBondContact O-N 3.12Å; L617-K619 PolarHBondContact O-N 3.08Å; L617-K619 VanDerWaalsContact O-N 3.08Å
620I57.4Low51.8Low96 Ų96122.3 Ų122.349%0.49266%0.66SS.*THydrogen-bonded Turntrans-124.8-15.7-164.9-74.3177.4000116.1F616 L617F616-I620 HydrophobicContact CD1-CD1 4.4Å; F616-I620 HydrophobicContact CD2-CD1 4.48Å; F616-I620 HydrophobicContact CE1-CD1 3.83Å; F616-I620 HydrophobicContact CE2-CD1 3.91Å; F616-I620 HydrophobicContact CZ-CD1 3.56Å; L617-I620 PolarHBondContact O-N 3.26Å; L617-I620 VanDerWaalsContact O-N 3.12Å
621Q45.1Very low49.6Very low162 Ų162124.4 Ų124.476%0.75768%0.676SS**  trans-150.6104.7178-110155.5500115.5
622T40.8Very low47.6Very low138 Ų138121 Ų12185%0.84767%0.672SS**  trans-87.4102.116146.10000109.7
623V39.8Very low45.6Very low118 Ų118124.3 Ų124.372%0.71569%0.685SS**  trans-152125.5150.4-176.80000109.3V625V623-V625 HydrophobicContact CG1-CG2 4.4Å
624P39.3Very low43.9Very low114 Ų114124 Ų12474%0.7470%0.7SS**  trans-87139171.134.7-28.7000109.9
625V32.9Very low42.4Very low125 Ų125127.9 Ų127.976%0.75872%0.717SS**  trans-131.1111.1162.3179.20000109.3V623 Y627V623-V625 HydrophobicContact CG1-CG2 4.4Å; V625-Y627 HydrophobicContact CG1-CD2 4.26Å
626V33.6Very low40.9Very low127 Ų127131.3 Ų131.377%0.7773%0.733SS**  trans-80.3136.3166.4170.80000107.9
627Y29.9Very low39.2Very low212 Ų212128 Ų12883%0.83174%0.736SS**  trans-131.6104.8156.7-116.1-87.3000111.4V625V625-Y627 HydrophobicContact CG1-CD2 4.26Å
628V33.4Very low37.7Very low110 Ų110132.6 Ų132.667%0.66775%0.754SS**  trans32.7124.3141.1-165.40000120.4
629P29.8Very low36.3Very low115 Ų115135.6 Ų135.675%0.74776%0.76SS**  trans-89.8151.6176.436.1-32.5000113.3
630T32.4Very low34.9Very low148 Ų148132.7 Ų132.791%0.90875%0.754SS**  trans-116.3130.8162.236.60000109.8
631L33Very low33.5Very low177 Ų177132.6 Ų132.693%0.92776%0.761SS**  trans-135.5144.2-175.4-15192.5000106.5
632G33.3Very low32.6Very low54 Ų54131 Ų13156%0.55776%0.762SS**  cis-161.9155.22.600000108.8
633T33.3Very low31.9Very low135 Ų135129.4 Ų129.483%0.82876%0.757SS**  76139.1102.9570000115.3
634P37.2Very low31.6Very low131 Ų131128.9 Ų128.985%0.85176%0.759SS**  -132.8151.158.826.5-4.4000117.2
635Q33.7Very low31.9Very low132 Ų132129 Ų12962%0.61776%0.76SS**  trans-71.1172.5164.9-53.9-177.6-38.500111
636P36.5Very low32.9Very low139 Ų139127.6 Ų127.690%0.90375%0.753SS**  -135.2148.674.330.8-13.3000111.5
637G28.8Very low32.8Very low61 Ų61129.2 Ų129.263%0.62975%0.752SS**  cis-176.5139.54.400000106.7
638F27.4Very low32.9Very low155 Ų155126.7 Ų126.768%0.6875%0.745SS**  trans-66.2153.3163.8-93-103.6000109.9
639F28.8Very low32.8Very low212 Ų212129.2 Ų129.293%0.9375%0.752SS**  -149129113.1-103-75.3000110.7
640N27.4Very low32.9Very low126 Ų126127.5 Ų127.567%0.67474%0.743SS**  trans-94.6161.3168.1-132.5-3.1000108.2
641S26.9Very low32.7Very low93 Ų93128.6 Ų128.665%0.6574%0.742SS**  trans81.9125.3147.173.80000121.5
642T27.3Very low32.5Very low128 Ų128128 Ų12879%0.78574%0.735SS**  trans85134.4130.744.30000122.2
643S25.1Very low33Very low105 Ų105130.6 Ų130.673%0.73474%0.741SS**  trans92.198.1153.172.90000119.2
644S34Very low33.4Very low107 Ų107129.9 Ų129.975%0.74874%0.739SS**  27.4164.4123.255.20000121.5
645P45.6Very low33.4Very low118 Ų118131.9 Ų131.977%0.76674%0.742SS**  -120.1-142.6-50.235.7-15.2000109.1
646P53.9Low33.2Very low94 Ų94129.7 Ų129.761%0.6175%0.746SS**  -117.8-172.1-58.124.1-1000114
647H30.6Very low32.7Very low162 Ų162132 Ų13275%0.7575%0.745SS**  trans75.3153.7157.1-68.1-57.5000119.7
648F32.4Very low32.7Very low158 Ų158133.6 Ų133.669%0.69375%0.747SS**  cis-159.7144.113.6-131.6-86.2000108.7
649M32.2Very low32.8Very low164 Ų164136.6 Ų136.681%0.80875%0.753SS**  trans40155.9144.3-76.7-164.8160.600124.1
650S30.4Very low32.7Very low78 Ų78132.6 Ų132.655%0.54574%0.741SS.*  cis179.7146-2163.30000106.7
651L28.8Very low32.9Very low171 Ų171133.9 Ų133.990%0.89574%0.743SS**  -175.9117.3116.4-102.7140.4000112.5
652Q30Very low32.9Very low165 Ų165136.3 Ų136.377%0.77174%0.744SS**  trans-50.7-176.3163.8-109174-30.300115.1
653P43.6Very low32.9Very low108 Ų108139.9 Ų139.970%0.70174%0.743SS**  cis-140.5-160.4-6.729.2-3.5000112.7
654P41.8Very low33.1Very low120 Ų120141.2 Ų141.278%0.77974%0.741SS**  -126.7162.4-54.934.1-18.9000113.2
655L36.1Very low32.8Very low174 Ų174146.6 Ų146.691%0.91175%0.745SS**  trans-104.3140.4153.9-108.9139.4000107.9
656A29.1Very low32.1Very low86 Ų86145.6 Ų145.671%0.71174%0.741SS**  trans-162.8139.1149.500000106.6
657Q27.4Very low31Very low188 Ų188147.5 Ų147.588%0.87975%0.745SS**  cis-166.7142.544.1-134.6157.39.200110.6
658S28.4Very low31.1Very low94 Ų94150.1 Ų150.166%0.65775%0.748SS**  trans-82.3148.8148.867.90000108.6
659R28.5Very low31.4Very low217 Ų217154.9 Ų154.982%0.81977%0.772SS**  152.5138.7128.3-93.1176.8167-158.40.3114.6
660L27.3Very low31.4Very low129 Ų129154.4 Ų154.468%0.67577%0.77SS**  trans69.5112.3134.9-69.7160.2000120.3
661Q31.3Very low31.5Very low152 Ų152158.4 Ų158.471%0.7178%0.782SS**  9.7122.9126.7-62.7-170.7-3000116.9
662H27.5Very low31.6Very low144 Ų144157.7 Ų157.767%0.66778%0.775SS**  172.8131.699.4-95.3-78.9000110.2
663W27.7Very low31.7Very low203 Ų203157.3 Ų157.377%0.76978%0.776SS**  trans56.7117.5136.2-75.254.3000120.3
664L29.1Very low31Very low133 Ų133160.4 Ų160.470%0.69678%0.78SS**  147.7111.8107.4-92.8140.1000112.3
665W27.8Very low30.2Very low221 Ų221163.1 Ų163.184%0.83778%0.78SS**  trans54.1134.2132.6-80.358.4000122
666S30.1Very low29.8Very low97 Ų97162.3 Ų162.368%0.67877%0.771SS**  trans84.3147134.4-172.30000118.3
667I30.5Very low29.9Very low133 Ų133168.2 Ų168.268%0.68278%0.776SS**  cis-161.2147.5-23.8-103.3162.4000103.4
668R34.1Very low30.1Very low218 Ų218166.5 Ų166.582%0.82377%0.767SS**  trans22.4135.3150.7-61.8178.5179.4-171.6-1.5120
669H39Very low30.2Very low257 Ų257173.1 Ų173.1100%1.1978%0.777SS**  -135.8091.3-108.1-73.6000111.1

Retrieved 669 of 669 residues in 137.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).