A0A096NW23_PAPAN Loading...

Nucleoporin 43

AlphaFold DB (F6WYI5), UniProt , Accession A0A096NW23, Species PAPAN (Papio anubis, Olive baboon), Gene NUP43, Length 380 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.2Very low82.6Confident234 Ų23485.8 Ų85.8100%1.15344%0.438SS*.  098.80-162.3179.7-66.800102.5E3M1-E3 PolarHBondContact O-N 3.45Å
2E54.9Low83.9Confident85 Ų8582.7 Ų82.740%0.39742%0.419SS..  trans-57.7121.8-174.3-73.9164.6-159.700108.5I4E2-I4 PolarHBondContact O-N 3.07Å
3E73.3Confident85.1Confident122 Ų12276.5 Ų76.557%0.5739%0.388SS*.  trans-78.291.9180-68.4-170.5173.600108.3M1 Y5M1-E3 PolarHBondContact O-N 3.45Å; E3-Y5 HydrophobicContact CB-CE1 3.83Å; E3-Y5 HydrophobicContact CB-CE2 4.05Å; E3-Y5 VanDerWaalsContact CB-CZ 3.49Å; E3-Y5 WeakPolarHBondContact CB-OH 3.27Å; E3-Y5 VanDerWaalsContact O-CE2 3.3Å; E3-Y5 WeakPolarHBondContact O-CE2 3.26Å; E3-Y5 PolarHBondContact OE2-OH 2.9Å
4I85.9Confident86Confident39 Ų3971.6 Ų71.620%0.236%0.364CS..  trans-85.4121.1164-67.3163.8000107.1E2 L345 L346 Y373 T375E2-I4 PolarHBondContact O-N 3.07Å; I4-L345 HydrophobicContact CD1-CB 3.75Å; I4-L345 WeakPolarHBondContact CD1-O 3.37Å; I4-L346 HydrophobicContact CG2-CD2 4.2Å; I4-Y373 HydrophobicContact CG2-CD1 3.97Å; I4-Y373 HydrophobicContact CG2-CG 4.36Å; I4-T375 HydrophobicContact CG1-CG2 3.86Å
5Y86.3Confident86.9Confident60 Ų6068.9 Ų68.924%0.23535%0.349CS..EExtended strand (participates in β ladder)trans-98.1139.9-179-50.7-81.1000110.5E3 Y373 V374E3-Y5 HydrophobicContact CB-CE1 3.83Å; E3-Y5 HydrophobicContact CB-CE2 4.05Å; E3-Y5 VanDerWaalsContact CB-CZ 3.49Å; E3-Y5 WeakPolarHBondContact CB-OH 3.27Å; E3-Y5 VanDerWaalsContact O-CE2 3.3Å; E3-Y5 WeakPolarHBondContact O-CE2 3.26Å; E3-Y5 PolarHBondContact OE2-OH 2.9Å; Y5-Y373 CarbonylContact O-C 3.57Å; Y5-Y373 VanDerWaalsContact O-CA 3.23Å; Y5-Y373 WeakPolarHBondContact O-CA 3.46Å; Y5-V374 PolarHBondContact N-O 2.84Å; Y5-V374 PolarHBondContact O-N 3.39Å
6A90.3Very high87.6Confident51 Ų5164.6 Ų64.642%0.42133%0.327SS..EExtended strand (participates in β ladder)trans-107135.6176.900000110.5I372 Y373A6-I372 CarbonylContact C-O 3.59Å; A6-I372 WeakPolarHBondContact CA-O 3.38Å; A6-Y373 HydrophobicContact CB-CD1 3.6Å; A6-Y373 HydrophobicContact CB-CE1 3.42Å; A6-Y373 VanDerWaalsContact CB-CE1 3.42Å; A6-Y373 HydrophobicContact CB-CG 4.36Å
7K92.2Very high88.3Confident50 Ų5061.1 Ų61.122%0.21731%0.309CS..EExtended strand (participates in β ladder)trans-123.4125.4169.4-174.3171.9-173.6133.40110.2V9 D64 H65 A371 I372K7-V9 HydrophobicContact CG-CG1 4.22Å; K7-D64 IonicContact NZ-OD1 2.7Å; K7-D64 PolarHBondContact NZ-OD1 3.1Å; K7-H65 WeakPolarHBondContact CB-ND1 3.32Å; K7-H65 HydrophobicContact CD-CB 3.68Å; K7-H65 WeakPolarHBondContact CE-O 3.47Å; K7-H65 PolarHBondContact NZ-O 2.87Å; K7-A371 CarbonylContact O-C 3.54Å; K7-A371 WeakPolarHBondContact O-CA 3.24Å; K7-I372 PolarHBondContact N-O 2.93Å; K7-I372 PolarHBondContact O-N 2.92Å
8F93.9Very high88.9Confident142 Ų14258.1 Ų58.162%0.62329%0.293SS*.EExtended strand (participates in β ladder)trans-84.7131.7173.5-63.9-85.3000110.2A369 E370 A371F8-A369 WeakPolarHBondContact CD1-O 3.05Å; F8-E370 CarbonylContact C-O 3.45Å; F8-E370 VanDerWaalsContact CA-O 3.3Å; F8-E370 WeakPolarHBondContact CA-O 3.12Å; F8-A371 HydrophobicContact CD1-CB 3.97Å; F8-A371 HydrophobicContact CE1-CB 3.94Å
9V95.1Very high89.3Confident25 Ų2557.8 Ų57.815%0.15229%0.288CS..  trans-125.39.8-171-63.80000114K7 Q11 I13 W47 E370 I372K7-V9 HydrophobicContact CG-CG1 4.22Å; V9-Q11 PolarHBondContact O-N 3.16Å; V9-Q11 VanDerWaalsContact O-N 3.14Å; V9-I13 HydrophobicContact CG2-CD1 3.73Å; V9-I13 HydrophobicContact CG2-CG1 3.87Å; V9-W47 HydrophobicContact CB-CH2 4.16Å; V9-W47 HydrophobicContact CB-CZ2 4.37Å; V9-W47 HydrophobicContact CG1-CH2 3.6Å; V9-W47 HydrophobicContact CG1-CZ2 3.97Å; V9-W47 HydrophobicContact CG1-CZ3 4.19Å; V9-E370 PolarHBondContact N-O 2.91Å; V9-I372 HydrophobicContact CB-CD1 4.44Å; V9-I372 HydrophobicContact CG1-CD1 3.68Å; V9-I372 HydrophobicContact CG1-CG1 4.28Å; V9-I372 HydrophobicContact CG2-CD1 4Å; V9-I372 HydrophobicContact CG2-CG1 4.1Å
10S95.1Very high89.7Confident94 Ų9457.4 Ų57.466%0.65729%0.29SS*.SBendtrans61.518.3173.9-46.30000115.2E370S10-E370 WeakPolarHBondContact CA-OE2 3.45Å
11Q96.7Very high90Very high42 Ų4257.7 Ų57.720%0.19629%0.292CS..SBendtrans-145.5138.8175.5-67.5-177.9-4.400108.6V9 I13 S36 E370V9-Q11 PolarHBondContact O-N 3.16Å; V9-Q11 VanDerWaalsContact O-N 3.14Å; Q11-I13 HydrophobicContact CB-CD1 4.46Å; Q11-I13 PolarHBondContact O-N 3.17Å; Q11-S36 VanDerWaalsContact OE1-CB 3.31Å; Q11-S36 PolarHBondContact OE1-OG 3.05Å; Q11-E370 VanDerWaalsContact O-CA 3.26Å; Q11-E370 WeakPolarHBondContact O-CA 3.27Å
12K98.4Very high92.3Very high48 Ų4849.4 Ų49.421%0.20926%0.256CS..  trans-64.2131.6168.8-63.4179.8172.4-169.70109.6S36 W37 D38 D368 E370K12-S36 VanDerWaalsContact O-CA 3.23Å; K12-S36 WeakPolarHBondContact O-CA 3.02Å; K12-S36 WeakPolarHBondContact O-CB 3.28Å; K12-W37 PolarHBondContact O-N 2.84Å; K12-W37 VanDerWaalsContact O-N 3.16Å; K12-D38 HydrophobicContact CD-CB 4.12Å; K12-D38 IonicContact NZ-OD2 3.74Å; K12-D38 PolarHBondContact NZ-OD2 2.94Å; K12-D368 IonicContact NZ-OD2 2.84Å; K12-D368 PolarHBondContact NZ-OD2 3.14Å; K12-E370 HydrophobicContact CG-CG 4.38Å
13I98.7Very high94Very high2 Ų251.7 Ų51.71%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-102.5115.6-174.9-57-55.9000109.3V9 Q11 K15 T16 T34 N354 T367 I372V9-I13 HydrophobicContact CG2-CD1 3.73Å; V9-I13 HydrophobicContact CG2-CG1 3.87Å; Q11-I13 HydrophobicContact CB-CD1 4.46Å; Q11-I13 PolarHBondContact O-N 3.17Å; I13-K15 WeakPolarHBondContact CG2-O 3.18Å; I13-T16 HydrophobicContact CG2-CG2 3.6Å; I13-T34 HydrophobicContact CG2-CG2 4.34Å; I13-N354 WeakPolarHBondContact O-CB 3.29Å; I13-N354 PolarHBondContact O-ND2 3.32Å; I13-T367 PolarHBondContact N-O 3.28Å; I13-I372 HydrophobicContact CG1-CG1 3.99Å
14S98.8Very high94.8Very high8 Ų849.7 Ų49.76%0.05629%0.29CS..EExtended strand (participates in β ladder)trans-87.8-28.5179.255.20000113.3G35 W37 V77 S355S14-G35 PolarHBondContact N-O 2.95Å; S14-G35 PolarHBondContact OG-O 2.98Å; S14-G35 VanDerWaalsContact OG-O 3.09Å; S14-W37 VanDerWaalsContact CB-CD1 3.48Å; S14-V77 VanDerWaalsContact CB-O 3.31Å; S14-V77 WeakPolarHBondContact CB-O 3.45Å; S14-V77 PolarHBondContact OG-O 3.31Å; S14-S355 VanDerWaalsContact O-CB 3.31Å; S14-S355 WeakPolarHBondContact O-CB 3.46Å
15K98.8Very high95Very high31 Ų3150 Ų5014%0.13530%0.295CS..EExtended strand (participates in β ladder)trans-144.2140.2-176.5-68.2-68.3170.1-60.90112.6I13 T34 G35 M78 D79 L80 E266 S355I13-K15 WeakPolarHBondContact CG2-O 3.18Å; K15-T34 CarbonylContact O-C 3.59Å; K15-T34 WeakPolarHBondContact O-CA 3.47Å; K15-G35 PolarHBondContact N-O 3.26Å; K15-G35 PolarHBondContact O-N 2.93Å; K15-M78 VanDerWaalsContact CE-O 3.31Å; K15-M78 WeakPolarHBondContact CE-O 3.46Å; K15-M78 PolarHBondContact NZ-O 3.18Å; K15-D79 VanDerWaalsContact CE-OD1 3.26Å; K15-D79 WeakPolarHBondContact CE-OD1 3.48Å; K15-L80 HydrophobicContact CB-CB 3.73Å; K15-L80 HydrophobicContact CG-CB 4.09Å; K15-E266 VanDerWaalsContact CD-OE1 3.29Å; K15-E266 WeakPolarHBondContact CD-OE1 3.29Å; K15-E266 VanDerWaalsContact CE-OE1 3.26Å; K15-E266 WeakPolarHBondContact CE-OE1 3.39Å; K15-E266 IonicContact NZ-OE1 3.29Å; K15-S355 WeakPolarHBondContact CA-OG 3.35Å
16T98.8Very high95.2Very high0 Ų055.2 Ų55.20%033%0.327CS..EExtended strand (participates in β ladder)trans-135.5130.7172.657.40000110I13 A33 T34 S355 D357 V364I13-T16 HydrophobicContact CG2-CG2 3.6Å; T16-A33 WeakPolarHBondContact CA-O 3.46Å; T16-T34 HydrophobicContact CG2-CG2 3.98Å; T16-S355 PolarHBondContact N-OG 2.81Å; T16-S355 VanDerWaalsContact N-OG 3.1Å; T16-D357 WeakPolarHBondContact O-CB 3.2Å; T16-V364 HydrophobicContact CG2-CG2 4.19Å
17R98.8Very high95.1Very high6 Ų659.3 Ų59.32%0.02334%0.337CS..EExtended strand (participates in β ladder)trans-139.8136.6177.4-61.3-65.7174.9-1140.9111.7F32 A33 D79 L80 F82 E266 S355 L356 D357R17-F32 CarbonylContact O-C 3.53Å; R17-F32 WeakPolarHBondContact O-CA 3.39Å; R17-F32 WeakPolarHBondContact O-CB 3.3Å; R17-A33 PolarHBondContact N-O 3.43Å; R17-A33 PolarHBondContact O-N 2.76Å; R17-D79 IonicContact NH2-OD1 3Å; R17-L80 HydrophobicContact CB-CD2 3.91Å; R17-L80 HydrophobicContact CG-CD2 3.63Å; R17-L80 VanDerWaalsContact CG-O 3.26Å; R17-L80 WeakPolarHBondContact CG-O 3.38Å; R17-L80 PolarHBondContact NE-O 3.46Å; R17-L80 VanDerWaalsContact NE-O 3.07Å; R17-F82 HydrophobicContact CB-CD2 3.88Å; R17-F82 HydrophobicContact CB-CE2 4.07Å; R17-F82 WeakPolarHBondContact O-CE2 3.21Å; R17-E266 IonicContact CZ-OE1 3.26Å; R17-E266 IonicContact CZ-OE2 3.49Å; R17-E266 IonicContact NH1-OE1 3.47Å; R17-E266 PolarHBondContact NH1-OE1 2.98Å; R17-E266 IonicContact NH1-OE2 3.84Å; R17-E266 PolarHBondContact NH1-OE2 3.22Å; R17-E266 IonicContact NH2-OE1 2.73Å; R17-E266 PolarHBondContact NH2-OE1 2.99Å; R17-E266 IonicContact NH2-OE2 3.61Å; R17-E266 PolarHBondContact NH2-OE2 2.95Å; R17-S355 PolarHBondContact NH1-OG 2.73Å; R17-L356 PolarHBondContact NH1-O 2.65Å; R17-D357 VanDerWaalsContact CA-OD2 3.27Å; R17-D357 WeakPolarHBondContact CA-OD2 3.21Å
18W98.4Very high95Very high7 Ų759.3 Ų59.33%0.02734%0.341CS..EExtended strand (participates in β ladder)trans-70.5140.1169.8-72.5109.5000110.7P20 A29 F32 I49 F82 D357 L359 C362 V364 V374W18-P20 WeakPolarHBondContact O-CD 3.46Å; W18-A29 HydrophobicContact CB-CB 4.38Å; W18-A29 HydrophobicContact CD2-CB 3.76Å; W18-A29 HydrophobicContact CE3-CB 3.51Å; W18-A29 HydrophobicContact CG-CB 4.14Å; W18-A29 HydrophobicContact CZ3-CB 4.08Å; W18-F32 HydrophobicContact CD2-CB 4.16Å; W18-F32 HydrophobicContact CE3-CB 3.71Å; W18-F32 HydrophobicContact CE3-CD1 4.25Å; W18-F32 HydrophobicContact CE3-CG 4.44Å; W18-F32 AromaticContact CH2-CD1 3.98Å; W18-F32 HydrophobicContact CH2-CD1 3.98Å; W18-F32 HydrophobicContact CZ3-CB 4.03Å; W18-F32 AromaticContact CZ3-CD1 3.67Å; W18-F32 HydrophobicContact CZ3-CD1 3.67Å; W18-F32 HydrophobicContact CZ3-CG 4.29Å; W18-I49 HydrophobicContact CH2-CD1 3.5Å; W18-I49 HydrophobicContact CZ3-CD1 3.94Å; W18-F82 WeakPolarHBondContact O-CD2 3.41Å; W18-F82 WeakPolarHBondContact O-CE2 3.46Å; W18-D357 PolarHBondContact N-OD2 3.05Å; W18-D357 PolarHBondContact NE1-O 3.46Å; W18-L359 HydrophobicContact CB-CB 4.06Å; W18-L359 HydrophobicContact CB-CD2 3.97Å; W18-L359 HydrophobicContact CG-CB 4.04Å; W18-C362 HydrophobicContact CD2-CB 4.47Å; W18-C362 HydrophobicContact CH2-CB 4.23Å; W18-C362 HydrophobicContact CZ2-CB 3.66Å; W18-V364 HydrophobicContact CD2-CG1 4.23Å; W18-V364 HydrophobicContact CG-CG1 4.34Å; W18-V364 HydrophobicContact CZ2-CB 3.77Å; W18-V364 HydrophobicContact CZ2-CG1 4.12Å; W18-V374 HydrophobicContact CH2-CG1 3.92Å; W18-V374 HydrophobicContact CZ2-CG1 4.03Å
19R98.1Very high94.9Very high53 Ų5352.6 Ų52.620%0.231%0.312CS..PPolyproline II helixtrans-66.2128.1167.2-177169.762.3-172.90.3108.4T31 F82 Q85R19-T31 HydrophobicContact CB-CG2 4.3Å; R19-T31 WeakPolarHBondContact CB-O 3.31Å; R19-T31 PolarHBondContact N-O 2.83Å; R19-T31 PolarHBondContact NH2-OG1 2.86Å; R19-F82 HydrophobicContact CB-CE1 3.98Å; R19-F82 HydrophobicContact CB-CE2 4.23Å; R19-F82 HydrophobicContact CB-CZ 3.75Å; R19-F82 HydrophobicContact CG-CD1 4.41Å; R19-F82 HydrophobicContact CG-CE1 3.91Å; R19-F82 HydrophobicContact CG-CZ 4.21Å; R19-Q85 VanDerWaalsContact CD-O 3.26Å; R19-Q85 WeakPolarHBondContact CD-O 3.47Å
20P96.9Very high94.8Very high49 Ų4955.3 Ų55.332%0.31832%0.323SS..PPolyproline II helixtrans-57142.5175.7-2533.5000111.6W18 F82W18-P20 WeakPolarHBondContact O-CD 3.46Å; P20-F82 HydrophobicContact CG-CB 3.87Å; P20-F82 HydrophobicContact CG-CG 4.38Å
21L95.2Very high94.9Very high63 Ų6351 Ų5133%0.3329%0.293SS..PPolyproline II helixtrans-75.7147.9176.9-67169.8000111.1Q27 L359L21-Q27 WeakPolarHBondContact CD1-O 3.31Å; L21-L359 HydrophobicContact CG-CD2 4.27Å
22P93.3Very high95Very high60 Ų6049 Ų4939%0.3928%0.283SS..PPolyproline II helixtrans-54.7142.7168.5-18.925.5000111.3G24 S25 Q85P22-G24 PolarHBondContact O-N 3.04Å; P22-S25 VanDerWaalsContact O-CB 3.24Å; P22-S25 WeakPolarHBondContact O-CB 3.27Å; P22-S25 PolarHBondContact O-N 3.03Å; P22-Q85 VanDerWaalsContact CD-OE1 3.28Å; P22-Q85 VanDerWaalsContact CG-OE1 3.24Å
23P90.7Very high95Very high134 Ų13446.7 Ų46.787%0.8727%0.273SS*.THydrogen-bonded Turntrans-54.5127.2176.6-25.934.2000111.9S25P23-S25 VanDerWaalsContact C-N 3.32Å
24G90Very high95Very high79 Ų7946.8 Ų46.881%0.81427%0.274SS*.THydrogen-bonded Turntrans79.58.3-178.700000115.1P22P22-G24 PolarHBondContact O-N 3.04Å
25S91.1Very high95Very high45 Ų4546.4 Ų46.432%0.31527%0.271SS..  trans-60.6136.1170.1-173.60000110.9P22 P23 Q27P22-S25 VanDerWaalsContact O-CB 3.24Å; P22-S25 WeakPolarHBondContact O-CB 3.27Å; P22-S25 PolarHBondContact O-N 3.03Å; P23-S25 VanDerWaalsContact C-N 3.32Å; S25-Q27 PolarHBondContact OG-N 3.4Å
26L89.1Confident95Very high171 Ų17145 Ų4590%0.89527%0.265SS*.  trans-96-5.2170.5-60.2177.3000112.1
27Q88.5Confident95Very high137 Ų13748.9 Ų48.964%0.6428%0.28SS*.SBendtrans-81.7154.4179-60.2-60.4-17.900110.8L21 S25L21-Q27 WeakPolarHBondContact CD1-O 3.31Å; S25-Q27 PolarHBondContact OG-N 3.4Å
28T90.2Very high94.9Very high50 Ų5053.1 Ų53.131%0.30730%0.303SS..PPolyproline II helixtrans-84.4164.217159.90000110.8E30 P361 R376T28-E30 PolarHBondContact O-N 2.93Å; T28-P361 HydrophobicContact CG2-CG 3.65Å; T28-R376 PolarHBondContact OG1-NH2 3.18Å
29A92.3Very high94.8Very high1 Ų155.1 Ų55.11%0.00831%0.314CS..PPolyproline II helixtrans-62.3133.7178.500000111.3W18 L359 C362 R376W18-A29 HydrophobicContact CB-CB 4.38Å; W18-A29 HydrophobicContact CD2-CB 3.76Å; W18-A29 HydrophobicContact CE3-CB 3.51Å; W18-A29 HydrophobicContact CG-CB 4.14Å; W18-A29 HydrophobicContact CZ3-CB 4.08Å; A29-L359 HydrophobicContact CB-CB 4.34Å; A29-L359 HydrophobicContact CB-CD2 3.97Å; A29-L359 HydrophobicContact CB-CG 4.32Å; A29-C362 HydrophobicContact CB-CB 4.19Å; A29-C362 PolarHBondContact O-SG 3.16Å; A29-C362 VanDerWaalsContact O-SG 3.38Å; A29-R376 PolarHBondContact O-NE 3.41Å
30E93.3Very high94.5Very high81 Ų8162 Ų6238%0.37935%0.349SS..  trans-126.7-16.4-178.969.2-176158.600113T28 S48 I49T28-E30 PolarHBondContact O-N 2.93Å; E30-S48 CarbonylContact O-C 3.47Å; E30-S48 WeakPolarHBondContact O-CA 3.35Å; E30-I49 PolarHBondContact O-N 2.83Å
31T96.6Very high94.5Very high4 Ų463.6 Ų63.63%0.02535%0.352CS..EExtended strand (participates in β ladder)trans-124.8135.1-176.1-56.60000110R19 L46 W47 L68R19-T31 HydrophobicContact CB-CG2 4.3Å; R19-T31 WeakPolarHBondContact CB-O 3.31Å; R19-T31 PolarHBondContact N-O 2.83Å; R19-T31 PolarHBondContact NH2-OG1 2.86Å; T31-L46 HydrophobicContact CG2-CD2 4.13Å; T31-W47 CarbonylContact C-O 3.54Å; T31-W47 WeakPolarHBondContact CA-O 3.24Å; T31-W47 VanDerWaalsContact CG2-O 3.26Å; T31-W47 WeakPolarHBondContact CG2-O 3.39Å; T31-L68 HydrophobicContact CG2-CD1 3.99Å
32F98.3Very high94.6Very high0 Ų060.8 Ų60.80%034%0.337CS..EExtended strand (participates in β ladder)trans-138.5156.9177.163.3-88.6000110.9R17 W18 T34 W47 I49 V364 I372 V374R17-F32 CarbonylContact O-C 3.53Å; R17-F32 WeakPolarHBondContact O-CA 3.39Å; R17-F32 WeakPolarHBondContact O-CB 3.3Å; W18-F32 HydrophobicContact CD2-CB 4.16Å; W18-F32 HydrophobicContact CE3-CB 3.71Å; W18-F32 HydrophobicContact CE3-CD1 4.25Å; W18-F32 HydrophobicContact CE3-CG 4.44Å; W18-F32 AromaticContact CH2-CD1 3.98Å; W18-F32 HydrophobicContact CH2-CD1 3.98Å; W18-F32 HydrophobicContact CZ3-CB 4.03Å; W18-F32 AromaticContact CZ3-CD1 3.67Å; W18-F32 HydrophobicContact CZ3-CD1 3.67Å; W18-F32 HydrophobicContact CZ3-CG 4.29Å; F32-T34 HydrophobicContact CD2-CG2 3.83Å; F32-T34 HydrophobicContact CE2-CG2 3.69Å; F32-W47 HydrophobicContact CD1-CB 4.22Å; F32-W47 HydrophobicContact CD2-CB 4.2Å; F32-W47 AromaticContact CD2-CD1 3.93Å; F32-W47 HydrophobicContact CD2-CG 4.34Å; F32-W47 HydrophobicContact CE1-CB 3.76Å; F32-W47 HydrophobicContact CE2-CB 3.73Å; F32-W47 AromaticContact CE2-CD1 3.52Å; F32-W47 AromaticContact CE2-CG 3.7Å; F32-W47 HydrophobicContact CE2-CG 3.7Å; F32-W47 HydrophobicContact CG-CB 4.42Å; F32-W47 HydrophobicContact CZ-CB 3.5Å; F32-W47 VanDerWaalsContact CZ-CB 3.5Å; F32-W47 AromaticContact CZ-CG 3.83Å; F32-W47 HydrophobicContact CZ-CG 3.83Å; F32-W47 PolarHBondContact N-O 2.94Å; F32-W47 PolarHBondContact O-N 2.93Å; F32-I49 HydrophobicContact CD1-CD1 4.21Å; F32-I49 HydrophobicContact CD1-CG1 4.35Å; F32-I49 HydrophobicContact CE1-CD1 3.92Å; F32-I49 HydrophobicContact CE1-CG1 3.88Å; F32-V364 HydrophobicContact CB-CG1 4.49Å; F32-V364 HydrophobicContact CD2-CG2 3.94Å; F32-V364 HydrophobicContact CE2-CG2 4.02Å; F32-V364 HydrophobicContact CG-CG2 4.25Å; F32-V364 HydrophobicContact CZ-CG2 4.39Å; F32-I372 HydrophobicContact CE2-CD1 4.19Å; F32-I372 HydrophobicContact CE2-CG2 3.93Å; F32-I372 HydrophobicContact CZ-CG2 4Å; F32-V374 HydrophobicContact CE1-CG2 4.19Å; F32-V374 HydrophobicContact CZ-CG2 4.28Å
33A98.8Very high94.9Very high0 Ų060.5 Ų60.50%033%0.329CS..EExtended strand (participates in β ladder)trans-104.9149.8173.200000110.7T16 R17 S45 L46 L80 F82 I88T16-A33 WeakPolarHBondContact CA-O 3.46Å; R17-A33 PolarHBondContact N-O 3.43Å; R17-A33 PolarHBondContact O-N 2.76Å; A33-S45 CarbonylContact C-O 3.58Å; A33-S45 WeakPolarHBondContact CA-O 3.47Å; A33-L46 HydrophobicContact CB-CD2 3.83Å; A33-L80 HydrophobicContact CB-CD2 4.08Å; A33-F82 HydrophobicContact CB-CE2 3.66Å; A33-F82 HydrophobicContact CB-CZ 3.68Å; A33-I88 HydrophobicContact CB-CD1 3.94Å
34T98.9Very high95.3Very high3 Ų354.1 Ų54.12%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-128.2148.9171.762.80000111.6I13 K15 T16 F32 V44 S45 W47 I372I13-T34 HydrophobicContact CG2-CG2 4.34Å; K15-T34 CarbonylContact O-C 3.59Å; K15-T34 WeakPolarHBondContact O-CA 3.47Å; T16-T34 HydrophobicContact CG2-CG2 3.98Å; F32-T34 HydrophobicContact CD2-CG2 3.83Å; F32-T34 HydrophobicContact CE2-CG2 3.69Å; T34-V44 WeakPolarHBondContact O-CA 3.47Å; T34-S45 PolarHBondContact N-O 3.45Å; T34-S45 PolarHBondContact O-N 3.31Å; T34-W47 PolarHBondContact OG1-NE1 2.83Å; T34-I372 HydrophobicContact CG2-CD1 3.8Å
35G98.9Very high95.7Very high0 Ų050.7 Ų50.70%025%0.251CS..EExtended strand (participates in β ladder)trans-118.7139.916700000110.5S14 K15 Y43S14-G35 PolarHBondContact N-O 2.95Å; S14-G35 PolarHBondContact OG-O 2.98Å; S14-G35 VanDerWaalsContact OG-O 3.09Å; K15-G35 PolarHBondContact N-O 3.26Å; K15-G35 PolarHBondContact O-N 2.93Å; G35-Y43 WeakPolarHBondContact CA-O 3.31Å
36S98.8Very high96Very high1 Ų148.6 Ų48.61%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-103161.517775.90000113Q11 K12 N42 Y43 V77Q11-S36 VanDerWaalsContact OE1-CB 3.31Å; Q11-S36 PolarHBondContact OE1-OG 3.05Å; K12-S36 VanDerWaalsContact O-CA 3.23Å; K12-S36 WeakPolarHBondContact O-CA 3.02Å; K12-S36 WeakPolarHBondContact O-CB 3.28Å; S36-N42 PolarHBondContact O-OD1 2.86Å; S36-N42 WeakPolarHBondContact OG-CA 3.34Å; S36-N42 VanDerWaalsContact OG-CB 3.29Å; S36-N42 WeakPolarHBondContact OG-CB 3.44Å; S36-N42 PolarHBondContact OG-OD1 3.26Å; S36-N42 VanDerWaalsContact OG-OD1 3.06Å; S36-Y43 PolarHBondContact N-O 2.96Å; S36-Y43 VanDerWaalsContact N-O 3.13Å; S36-Y43 PolarHBondContact OG-N 2.95Å; S36-V77 WeakPolarHBondContact O-CB 3.42Å; S36-V77 PolarHBondContact O-N 3.19Å; S36-V77 VanDerWaalsContact O-N 3.15Å
37W98.8Very high96.4Very high83 Ų8341.6 Ų41.631%0.31420%0.198SC..  trans-149.2163.817877.9-62000112.4K12 S14 N39 N42 D76 N354 D368K12-W37 PolarHBondContact O-N 2.84Å; K12-W37 VanDerWaalsContact O-N 3.16Å; S14-W37 VanDerWaalsContact CB-CD1 3.48Å; W37-N39 VanDerWaalsContact C-N 3.26Å; W37-N39 PolarHBondContact O-N 2.89Å; W37-N39 PolarHBondContact O-ND2 2.84Å; W37-N42 VanDerWaalsContact CA-OD1 3.24Å; W37-N42 WeakPolarHBondContact CA-OD1 3.22Å; W37-N42 PolarHBondContact N-OD1 2.86Å; W37-D76 HydrophobicContact CB-CB 4.01Å; W37-N354 PolarHBondContact NE1-ND2 2.56Å; W37-D368 VanDerWaalsContact CZ2-OD1 3.26Å; W37-D368 WeakPolarHBondContact CZ2-OD1 3.38Å; W37-D368 PolarHBondContact NE1-OD1 3.33Å
38D97.7Very high96.7Very high94 Ų9436.1 Ų36.150%0.50318%0.175SC..SBendtrans61.135.5177.1-168.239.5000112.7K12 D76K12-D38 HydrophobicContact CD-CB 4.12Å; K12-D38 IonicContact NZ-OD2 3.74Å; K12-D38 PolarHBondContact NZ-OD2 2.94Å; D38-D76 PolarHBondContact N-OD1 2.73Å
39N95Very high96.7Very high49 Ų4934 Ų3426%0.26216%0.162SC..SBendtrans-125.6156.8172.5-50.6-84.5000110.4W37 E41 N42W37-N39 VanDerWaalsContact C-N 3.26Å; W37-N39 PolarHBondContact O-N 2.89Å; W37-N39 PolarHBondContact O-ND2 2.84Å; N39-E41 PolarHBondContact O-N 3.23Å; N39-N42 WeakPolarHBondContact CB-OD1 3.08Å; N39-N42 PolarHBondContact ND2-OD1 3.28Å
40E92.4Very high95.7Very high198 Ų19836.2 Ų36.293%0.92518%0.184SC*.SBendtrans-61.3-34.9171.2-65-174.8172.600111.9
41E96.1Very high94.3Very high82 Ų8237.7 Ų37.738%0.38320%0.195SC..SBendtrans-127.5110.8175.8-51.8-158.9144.100109.3N39 Y43 R72N39-E41 PolarHBondContact O-N 3.23Å; E41-Y43 HydrophobicContact CB-CE2 3.88Å; E41-Y43 WeakPolarHBondContact O-CD2 3.25Å; E41-Y43 WeakPolarHBondContact O-CE2 3.31Å; E41-Y43 PolarHBondContact OE2-OH 2.85Å; E41-R72 IonicContact OE1-CZ 3.27Å; E41-R72 IonicContact OE1-NH1 3.31Å; E41-R72 PolarHBondContact OE1-NH1 3.45Å; E41-R72 IonicContact OE1-NH2 2.77Å; E41-R72 PolarHBondContact OE1-NH2 3.27Å; E41-R72 IonicContact OE2-NH1 2.74Å
42N98.4Very high92.1Very high5 Ų542.1 Ų42.13%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-95.8155.9175.6-69.2-50.2000111.5S36 W37 N39 H73 G75 D76S36-N42 PolarHBondContact O-OD1 2.86Å; S36-N42 WeakPolarHBondContact OG-CA 3.34Å; S36-N42 VanDerWaalsContact OG-CB 3.29Å; S36-N42 WeakPolarHBondContact OG-CB 3.44Å; S36-N42 PolarHBondContact OG-OD1 3.26Å; S36-N42 VanDerWaalsContact OG-OD1 3.06Å; W37-N42 VanDerWaalsContact CA-OD1 3.24Å; W37-N42 WeakPolarHBondContact CA-OD1 3.22Å; W37-N42 PolarHBondContact N-OD1 2.86Å; N39-N42 WeakPolarHBondContact CB-OD1 3.08Å; N39-N42 PolarHBondContact ND2-OD1 3.28Å; N42-H73 PolarHBondContact O-N 3.09Å; N42-G75 PolarHBondContact ND2-O 2.9Å; N42-D76 WeakPolarHBondContact ND2-CA 3.25Å; N42-D76 PolarHBondContact ND2-OD1 3.5Å
43Y98.8Very high89.5Confident53 Ų5345.2 Ų45.221%0.20825%0.246CC..EExtended strand (participates in β ladder)trans-135.1151.7-174.7-68.8-99.8000112.1G35 S36 E41 D70 I71 R72G35-Y43 WeakPolarHBondContact CA-O 3.31Å; S36-Y43 PolarHBondContact N-O 2.96Å; S36-Y43 VanDerWaalsContact N-O 3.13Å; S36-Y43 PolarHBondContact OG-N 2.95Å; E41-Y43 HydrophobicContact CB-CE2 3.88Å; E41-Y43 WeakPolarHBondContact O-CD2 3.25Å; E41-Y43 WeakPolarHBondContact O-CE2 3.31Å; E41-Y43 PolarHBondContact OE2-OH 2.85Å; Y43-D70 HydrophobicContact CD1-CB 4.21Å; Y43-I71 WeakPolarHBondContact CA-O 3.24Å; Y43-R72 HydrophobicContact CE1-CB 4.3Å
44V98.8Very high86.6Confident0 Ų052.4 Ų52.40%028%0.284CS..EExtended strand (participates in β ladder)trans-104.9121.9158.6177.20000106.9T34 D70 I71 H73 V77 L80 T90 F100 L109T34-V44 WeakPolarHBondContact O-CA 3.47Å; V44-D70 CarbonylContact O-C 3.54Å; V44-D70 VanDerWaalsContact O-CA 3.22Å; V44-D70 WeakPolarHBondContact O-CA 3.11Å; V44-I71 HydrophobicContact CB-CG2 4.06Å; V44-I71 PolarHBondContact N-O 3.31Å; V44-I71 PolarHBondContact O-N 2.81Å; V44-H73 HydrophobicContact CG2-CB 4.27Å; V44-V77 HydrophobicContact CG2-CG2 4.19Å; V44-L80 HydrophobicContact CG1-CD1 4.16Å; V44-T90 HydrophobicContact CG2-CG2 3.79Å; V44-F100 HydrophobicContact CG2-CD2 4.35Å; V44-F100 HydrophobicContact CG2-CE2 3.86Å; V44-F100 HydrophobicContact CG2-CZ 4.43Å; V44-L109 HydrophobicContact CG1-CD1 4.38Å
45S98.7Very high83.9Confident8 Ų860.3 Ų60.36%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-125142.7-174-55.80000110.7A33 T34 D70A33-S45 CarbonylContact C-O 3.58Å; A33-S45 WeakPolarHBondContact CA-O 3.47Å; T34-S45 PolarHBondContact N-O 3.45Å; T34-S45 PolarHBondContact O-N 3.31Å; S45-D70 WeakPolarHBondContact OG-CB 3.33Å
46L98.4Very high81.1Confident1 Ų166.2 Ų66.21%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-109.9134.3172.2-86.3170.7000109.9T31 A33 L68 C69 F82 I88 H102 L109T31-L46 HydrophobicContact CG2-CD2 4.13Å; A33-L46 HydrophobicContact CB-CD2 3.83Å; L46-L68 HydrophobicContact CB-CB 4.29Å; L46-L68 WeakPolarHBondContact O-CB 3.46Å; L46-L68 PolarHBondContact O-N 3.03Å; L46-C69 PolarHBondContact N-O 2.95Å; L46-F82 HydrophobicContact CD2-CZ 3.94Å; L46-I88 HydrophobicContact CD1-CD1 4.23Å; L46-I88 HydrophobicContact CD2-CD1 4.11Å; L46-I88 HydrophobicContact CG-CD1 4.16Å; L46-H102 HydrophobicContact CD1-CB 3.82Å; L46-H102 WeakPolarHBondContact CD1-CD2 3.48Å; L46-H102 VanDerWaalsContact CD1-CG 3.45Å; L46-L109 HydrophobicContact CD1-CD1 4.36Å; L46-L109 HydrophobicContact CD1-CD2 3.99Å; L46-L109 HydrophobicContact CD1-CG 4.32Å; L46-L109 HydrophobicContact CG-CD1 4.48Å
47W97.4Very high78.8Confident23 Ų2372.4 Ų72.49%0.08740%0.4CS..EExtended strand (participates in β ladder)trans-126.1145.4-175.5-5384.8000110.1V9 T31 F32 T34 H65 Q66 L67 I372V9-W47 HydrophobicContact CB-CH2 4.16Å; V9-W47 HydrophobicContact CB-CZ2 4.37Å; V9-W47 HydrophobicContact CG1-CH2 3.6Å; V9-W47 HydrophobicContact CG1-CZ2 3.97Å; V9-W47 HydrophobicContact CG1-CZ3 4.19Å; T31-W47 CarbonylContact C-O 3.54Å; T31-W47 WeakPolarHBondContact CA-O 3.24Å; T31-W47 VanDerWaalsContact CG2-O 3.26Å; T31-W47 WeakPolarHBondContact CG2-O 3.39Å; F32-W47 HydrophobicContact CD1-CB 4.22Å; F32-W47 HydrophobicContact CD2-CB 4.2Å; F32-W47 AromaticContact CD2-CD1 3.93Å; F32-W47 HydrophobicContact CD2-CG 4.34Å; F32-W47 HydrophobicContact CE1-CB 3.76Å; F32-W47 HydrophobicContact CE2-CB 3.73Å; F32-W47 AromaticContact CE2-CD1 3.52Å; F32-W47 AromaticContact CE2-CG 3.7Å; F32-W47 HydrophobicContact CE2-CG 3.7Å; F32-W47 HydrophobicContact CG-CB 4.42Å; F32-W47 HydrophobicContact CZ-CB 3.5Å; F32-W47 VanDerWaalsContact CZ-CB 3.5Å; F32-W47 AromaticContact CZ-CG 3.83Å; F32-W47 HydrophobicContact CZ-CG 3.83Å; F32-W47 PolarHBondContact N-O 2.94Å; F32-W47 PolarHBondContact O-N 2.93Å; T34-W47 PolarHBondContact OG1-NE1 2.83Å; W47-H65 HydrophobicContact CE3-CB 4.49Å; W47-Q66 CarbonylContact C-O 3.52Å; W47-Q66 VanDerWaalsContact CA-O 3.27Å; W47-Q66 WeakPolarHBondContact CA-O 3.35Å; W47-L67 HydrophobicContact CD2-CD1 4.08Å; W47-L67 HydrophobicContact CE3-CB 3.89Å; W47-L67 HydrophobicContact CE3-CD1 4.16Å; W47-L67 HydrophobicContact CH2-CB 4.25Å; W47-L67 HydrophobicContact CH2-CD1 3.99Å; W47-L67 HydrophobicContact CZ2-CD1 3.91Å; W47-L67 HydrophobicContact CZ3-CB 3.69Å; W47-L67 HydrophobicContact CZ3-CD1 4.13Å; W47-L67 HydrophobicContact CZ3-CG 4.44Å; W47-I372 HydrophobicContact CZ2-CD1 4.33Å
48S94.1Very high76.4Confident23 Ų2375.8 Ų75.816%0.16142%0.424CS..EExtended strand (participates in β ladder)trans-118.3146.7170.5-161.50000110.2E30 H65 Q66E30-S48 CarbonylContact O-C 3.47Å; E30-S48 WeakPolarHBondContact O-CA 3.35Å; S48-H65 CarbonylContact O-C 3.55Å; S48-H65 WeakPolarHBondContact O-CA 3.37Å; S48-Q66 PolarHBondContact N-O 3.23Å; S48-Q66 PolarHBondContact O-N 2.86Å
49I89.6Confident73.9Confident6 Ų674 Ų743%0.03143%0.429CS..EExtended strand (participates in β ladder)trans-105.5122.5174.6-52.5176.9000107.2W18 E30 F32 V374W18-I49 HydrophobicContact CH2-CD1 3.5Å; W18-I49 HydrophobicContact CZ3-CD1 3.94Å; E30-I49 PolarHBondContact O-N 2.83Å; F32-I49 HydrophobicContact CD1-CD1 4.21Å; F32-I49 HydrophobicContact CD1-CG1 4.35Å; F32-I49 HydrophobicContact CE1-CD1 3.92Å; F32-I49 HydrophobicContact CE1-CG1 3.88Å; I49-V374 HydrophobicContact CD1-CB 4.43Å; I49-V374 HydrophobicContact CD1-CG1 3.54Å; I49-V374 HydrophobicContact CD1-CG2 4.4Å
50G71.9Confident71.5Confident46 Ų4673.6 Ų73.647%0.47444%0.436SS..  trans-63.5150.417700000112.3
51D63Low69.5Low113 Ų11373.1 Ų73.160%0.60443%0.431SS*.  trans-70.8145.9170.6-80-29000111.3G53 R376D51-G53 PolarHBondContact O-N 3.47Å; D51-R376 IonicContact OD1-NH1 2.66Å
52F51.4Low67.4Low96 Ų9675.6 Ų75.642%0.42144%0.443SS..THydrogen-bonded Turntrans-64.230.1-178.7-67-87.5000115.5E62 H377F52-E62 HydrophobicContact CD1-CG 3.8Å; F52-E62 HydrophobicContact CE1-CG 3.93Å; F52-H377 AromaticContact CE2-NE2 3.7Å; F52-H377 AromaticContact CZ-NE2 3.92Å
53G42.8Very low65.5Low65 Ų6576.1 Ų76.167%0.6745%0.45SS*.THydrogen-bonded Turntrans-137-13.5-166.600000118D51D51-G53 PolarHBondContact O-N 3.47Å
54N38.4Very low64.3Low152 Ų15278 Ų7881%0.81346%0.464SS*.  trans-119.3104.9176.4-89.2-17.4000110D56N54-D56 VanDerWaalsContact C-N 3.3Å; N54-D56 PolarHBondContact O-N 2.77Å
55L42.3Very low63.6Low168 Ų16878.2 Ų78.288%0.8846%0.464SS*.  trans-57.4100155.8-81.8146.9000106.9S57L55-S57 PolarHBondContact O-N 3.26Å
56D39.9Very low63.3Low124 Ų12484.3 Ų84.366%0.66349%0.492SS*.  trans-58.4139.3162.3-105.9-16.5000107.7N54 D58 G59N54-D56 VanDerWaalsContact C-N 3.3Å; N54-D56 PolarHBondContact O-N 2.77Å; D56-D58 PolarHBondContact O-N 3.15Å; D56-G59 PolarHBondContact O-N 3.43Å
57S50.8Low63.1Low131 Ų13187.7 Ų87.792%0.91651%0.509SS*.THydrogen-bonded Turntrans-60.62.1179.447.70000114.3L55L55-S57 PolarHBondContact O-N 3.26Å
58D47.8Very low63Low154 Ų15488.6 Ų88.682%0.82452%0.516SS*.THydrogen-bonded Turntrans-1055.5-175.5-144.524.4000113.8D56 G60D56-D58 PolarHBondContact O-N 3.15Å; D58-G60 PolarHBondContact O-N 3.21Å
59G45.5Very low63.2Low58 Ų5888.1 Ų88.160%0.59851%0.513SS*.  trans73.724.417200000115D56D56-G59 PolarHBondContact O-N 3.43Å
60G45.9Very low63.6Low40 Ų4091.3 Ų91.341%0.41253%0.53SS..PPolyproline II helixtrans-62.6135.5171.200000111.6D58D58-G60 PolarHBondContact O-N 3.21Å
61F49.8Very low64.9Low188 Ų18890.8 Ų90.883%0.82552%0.516SS*.PPolyproline II helixtrans-76.3155.5176.8-75.7-88.8000111.3G63 D64F61-G63 PolarHBondContact O-N 2.76Å; F61-D64 WeakPolarHBondContact O-CB 3.3Å; F61-D64 PolarHBondContact O-N 3.05Å
62E51.8Low66.6Low133 Ų13392 Ų9262%0.62151%0.512SS*.THydrogen-bonded Turntrans-48.6129.3172.8-165.3166.2-166.300111.5F52F52-E62 HydrophobicContact CD1-CG 3.8Å; F52-E62 HydrophobicContact CE1-CG 3.93Å
63G58.6Low68.9Low17 Ų1787.9 Ų87.918%0.17549%0.494CS..THydrogen-bonded Turntrans83.513.2-178.800000116.4F61 H65F61-G63 PolarHBondContact O-N 2.76Å; G63-H65 PolarHBondContact O-CD2 2.71Å; G63-H65 PolarHBondContact O-N 2.78Å; G63-H65 PolarHBondContact O-NE2 2.64Å
64D73.6Confident71.5Confident93 Ų9391.8 Ų91.850%0.49749%0.494SS..  trans-66.2118.9-179.6-161.710.7000112.7K7 F61 Q66K7-D64 IonicContact NZ-OD1 2.7Å; K7-D64 PolarHBondContact NZ-OD1 3.1Å; F61-D64 WeakPolarHBondContact O-CB 3.3Å; F61-D64 PolarHBondContact O-N 3.05Å; D64-Q66 PolarHBondContact O-N 2.86Å
65H84.1Confident74.3Confident4 Ų485.5 Ų85.52%0.01947%0.465CS..EExtended strand (participates in β ladder)trans-82.3114.3-179.4-40.7142000110.8K7 W47 S48 G63 V374K7-H65 WeakPolarHBondContact CB-ND1 3.32Å; K7-H65 HydrophobicContact CD-CB 3.68Å; K7-H65 WeakPolarHBondContact CE-O 3.47Å; K7-H65 PolarHBondContact NZ-O 2.87Å; W47-H65 HydrophobicContact CE3-CB 4.49Å; S48-H65 CarbonylContact O-C 3.55Å; S48-H65 WeakPolarHBondContact O-CA 3.37Å; G63-H65 PolarHBondContact O-CD2 2.71Å; G63-H65 PolarHBondContact O-N 2.78Å; G63-H65 PolarHBondContact O-NE2 2.64Å; H65-V374 VanDerWaalsContact CE1-CG2 3.49Å; H65-V374 WeakPolarHBondContact CE1-CG2 3.48Å
66Q91.3Very high77Confident136 Ų13679.5 Ų79.564%0.63643%0.434SS*.EExtended strand (participates in β ladder)trans-85.2127.9178.8-170.2177.818.700111.3W47 S48 D64 L68W47-Q66 CarbonylContact C-O 3.52Å; W47-Q66 VanDerWaalsContact CA-O 3.27Å; W47-Q66 WeakPolarHBondContact CA-O 3.35Å; S48-Q66 PolarHBondContact N-O 3.23Å; S48-Q66 PolarHBondContact O-N 2.86Å; D64-Q66 PolarHBondContact O-N 2.86Å; Q66-L68 PolarHBondContact O-N 2.66Å
67L95.3Very high79.8Confident71 Ų7173.6 Ų73.637%0.37240%0.403SS..EExtended strand (participates in β ladder)trans-67.5117.8167.7-179.466.4000108.9W47W47-L67 HydrophobicContact CD2-CD1 4.08Å; W47-L67 HydrophobicContact CE3-CB 3.89Å; W47-L67 HydrophobicContact CE3-CD1 4.16Å; W47-L67 HydrophobicContact CH2-CB 4.25Å; W47-L67 HydrophobicContact CH2-CD1 3.99Å; W47-L67 HydrophobicContact CZ2-CD1 3.91Å; W47-L67 HydrophobicContact CZ3-CB 3.69Å; W47-L67 HydrophobicContact CZ3-CD1 4.13Å; W47-L67 HydrophobicContact CZ3-CG 4.44Å
68L96.1Very high82.1Confident42 Ų4270.2 Ų70.222%0.2237%0.373CS..EExtended strand (participates in β ladder)trans-80.5-50.6176.1-65.3178.9000110.8T31 L46 Q66T31-L68 HydrophobicContact CG2-CD1 3.99Å; L46-L68 HydrophobicContact CB-CB 4.29Å; L46-L68 WeakPolarHBondContact O-CB 3.46Å; L46-L68 PolarHBondContact O-N 3.03Å; Q66-L68 PolarHBondContact O-N 2.66Å
69C97.9Very high84.5Confident14 Ų1463.7 Ų63.710%0.09534%0.338CS..EExtended strand (participates in β ladder)trans-167.8159.5179.457.10000111L46 Q107L46-C69 PolarHBondContact N-O 2.95Å; C69-Q107 WeakPolarHBondContact CB-O 3.49Å
70D98.4Very high87Confident73 Ų7360.9 Ų60.939%0.3931%0.31SS..EExtended strand (participates in β ladder)trans-136.9166.9171.260.443.3000111.5Y43 V44 S45Y43-D70 HydrophobicContact CD1-CB 4.21Å; V44-D70 CarbonylContact O-C 3.54Å; V44-D70 VanDerWaalsContact O-CA 3.22Å; V44-D70 WeakPolarHBondContact O-CA 3.11Å; S45-D70 WeakPolarHBondContact OG-CB 3.33Å
71I98.7Very high89.6Confident35 Ų3561.3 Ų61.318%0.17930%0.301CS..EExtended strand (participates in β ladder)trans-142.7137.8169.5-171.9164.9000108.9Y43 V44 H73 F100 L109 V111Y43-I71 WeakPolarHBondContact CA-O 3.24Å; V44-I71 HydrophobicContact CB-CG2 4.06Å; V44-I71 PolarHBondContact N-O 3.31Å; V44-I71 PolarHBondContact O-N 2.81Å; I71-H73 PolarHBondContact O-N 3.2Å; I71-F100 HydrophobicContact CD1-CD1 4.08Å; I71-F100 HydrophobicContact CD1-CE1 3.94Å; I71-F100 HydrophobicContact CG1-CE1 4.37Å; I71-F100 HydrophobicContact CG2-CD1 3.81Å; I71-F100 HydrophobicContact CG2-CE1 3.71Å; I71-F100 HydrophobicContact CG2-CG 4.42Å; I71-F100 HydrophobicContact CG2-CZ 4.26Å; I71-L109 HydrophobicContact CB-CB 3.87Å; I71-L109 HydrophobicContact CG2-CB 3.77Å; I71-L109 HydrophobicContact CG2-CD1 3.94Å; I71-L109 HydrophobicContact CG2-CG 4.46Å; I71-V111 HydrophobicContact CD1-CG2 4.39Å
72R98.6Very high91.9Very high138 Ų13853.4 Ų53.452%0.52127%0.266SS..EExtended strand (participates in β ladder)trans-60.6132174.4-176.3178.7-179.5152.19.2110.2E41 Y43E41-R72 IonicContact OE1-CZ 3.27Å; E41-R72 IonicContact OE1-NH1 3.31Å; E41-R72 PolarHBondContact OE1-NH1 3.45Å; E41-R72 IonicContact OE1-NH2 2.77Å; E41-R72 PolarHBondContact OE1-NH2 3.27Å; E41-R72 IonicContact OE2-NH1 2.74Å; Y43-R72 HydrophobicContact CE1-CB 4.3Å
73H98.6Very high94.1Very high9 Ų947.6 Ų47.64%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-107.3138.6174.7-172.4-91.6000110N42 V44 I71 G75 D76 V77 T90N42-H73 PolarHBondContact O-N 3.09Å; V44-H73 HydrophobicContact CG2-CB 4.27Å; I71-H73 PolarHBondContact O-N 3.2Å; H73-G75 PolarHBondContact ND1-O 3.18Å; H73-D76 PolarHBondContact CE1-O 2.77Å; H73-V77 HydrophobicContact CB-CG2 4.06Å; H73-T90 PolarHBondContact NE2-OG1 2.88Å; H73-T90 VanDerWaalsContact NE2-OG1 3.08Å
74H97.2Very high95.9Very high147 Ų14748.7 Ų48.768%0.68124%0.241SC*.SBendtrans-93.4125177.8-169.460.2000110.4S92H74-S92 PolarHBondContact O-OG 3.43Å
75G97.9Very high97Very high20 Ų2047.7 Ų47.721%0.20623%0.233CC..SBendtrans74.5179-166.300000112.2N42 H73N42-G75 PolarHBondContact ND2-O 2.9Å; H73-G75 PolarHBondContact ND1-O 3.18Å
76D98.8Very high97.6Very high42 Ų4252.2 Ų52.223%0.22525%0.254CS..  trans-70.8143.7177-54.4-59.7000110.5W37 D38 N42 H73 M78 S92 S93W37-D76 HydrophobicContact CB-CB 4.01Å; D38-D76 PolarHBondContact N-OD1 2.73Å; N42-D76 WeakPolarHBondContact ND2-CA 3.25Å; N42-D76 PolarHBondContact ND2-OD1 3.5Å; H73-D76 PolarHBondContact CE1-O 2.77Å; D76-M78 HydrophobicContact CB-SD 4Å; D76-M78 PolarHBondContact O-N 3.04Å; D76-S92 WeakPolarHBondContact O-CA 3.43Å; D76-S93 PolarHBondContact N-OG 2.91Å; D76-S93 PolarHBondContact O-N 2.98Å; D76-S93 VanDerWaalsContact O-N 3.14Å; D76-S93 PolarHBondContact OD2-OG 2.88Å; D76-S93 VanDerWaalsContact OD2-OG 3.13Å
77V98.9Very high97.9Very high1 Ų147.9 Ų47.91%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-78.298.2169-175.40000107.3S14 S36 V44 H73 L80 T90S14-V77 VanDerWaalsContact CB-O 3.31Å; S14-V77 WeakPolarHBondContact CB-O 3.45Å; S14-V77 PolarHBondContact OG-O 3.31Å; S36-V77 WeakPolarHBondContact O-CB 3.42Å; S36-V77 PolarHBondContact O-N 3.19Å; S36-V77 VanDerWaalsContact O-N 3.15Å; V44-V77 HydrophobicContact CG2-CG2 4.19Å; H73-V77 HydrophobicContact CB-CG2 4.06Å; V77-L80 HydrophobicContact CG1-CB 4.18Å; V77-L80 HydrophobicContact CG1-CD1 4.29Å; V77-T90 HydrophobicContact CG1-CG2 4.34Å
78M98.8Very high98.1Very high59 Ų5944.5 Ų44.529%0.29121%0.214SC..EExtended strand (participates in β ladder)trans-75-42.9-176.6-60.4-59.2-66.500111.2K15 D76 A91 S93 P133 C134K15-M78 VanDerWaalsContact CE-O 3.31Å; K15-M78 WeakPolarHBondContact CE-O 3.46Å; K15-M78 PolarHBondContact NZ-O 3.18Å; D76-M78 HydrophobicContact CB-SD 4Å; D76-M78 PolarHBondContact O-N 3.04Å; M78-A91 HydrophobicContact CB-CB 4.38Å; M78-A91 PolarHBondContact N-O 2.87Å; M78-S93 VanDerWaalsContact CG-N 3.29Å; M78-P133 HydrophobicContact CE-CB 4.41Å; M78-C134 WeakPolarHBondContact CB-O 3.39Å; M78-C134 WeakPolarHBondContact CG-O 3.32Å
79D98.9Very high98.2Very high17 Ų1742.5 Ų42.59%0.09120%0.204CC..EExtended strand (participates in β ladder)trans-149154.7176.2-168.820.8000111K15 R17 T90 A91 G136 V137K15-D79 VanDerWaalsContact CE-OD1 3.26Å; K15-D79 WeakPolarHBondContact CE-OD1 3.48Å; R17-D79 IonicContact NH2-OD1 3Å; D79-T90 WeakPolarHBondContact O-CA 3.45Å; D79-A91 HydrophobicContact CB-CB 4.1Å; D79-A91 PolarHBondContact O-N 2.83Å; D79-G136 WeakPolarHBondContact OD2-CA 3.24Å; D79-V137 HydrophobicContact CB-CG1 3.72Å; D79-V137 WeakPolarHBondContact OD2-CG1 3.48Å; D79-V137 PolarHBondContact OD2-N 2.86Å
80L98.8Very high98.3Very high0 Ų041.9 Ų41.90%020%0.199CC..EExtended strand (participates in β ladder)trans-149130.6-173.1-174.9151000109.8K15 R17 A33 V44 V77 I88 V89 T90K15-L80 HydrophobicContact CB-CB 3.73Å; K15-L80 HydrophobicContact CG-CB 4.09Å; R17-L80 HydrophobicContact CB-CD2 3.91Å; R17-L80 HydrophobicContact CG-CD2 3.63Å; R17-L80 VanDerWaalsContact CG-O 3.26Å; R17-L80 WeakPolarHBondContact CG-O 3.38Å; R17-L80 PolarHBondContact NE-O 3.46Å; R17-L80 VanDerWaalsContact NE-O 3.07Å; A33-L80 HydrophobicContact CB-CD2 4.08Å; V44-L80 HydrophobicContact CG1-CD1 4.16Å; V77-L80 HydrophobicContact CG1-CB 4.18Å; V77-L80 HydrophobicContact CG1-CD1 4.29Å; L80-I88 HydrophobicContact CD1-CG2 4.11Å; L80-I88 HydrophobicContact CD2-CG2 3.97Å; L80-I88 HydrophobicContact CG-CG2 3.81Å; L80-V89 WeakPolarHBondContact CA-O 2.84Å; L80-T90 HydrophobicContact CB-CG2 4.43Å; L80-T90 HydrophobicContact CD1-CG2 3.91Å; L80-T90 HydrophobicContact CG-CG2 4.06Å
81Q98.7Very high98.3Very high48 Ų4838.4 Ų38.422%0.22418%0.181CC..EExtended strand (participates in β ladder)trans-142144.2176.7-66.5-62.4-17.100111V89 V137Q81-V89 PolarHBondContact N-O 3.16Å; Q81-V89 PolarHBondContact O-N 3.02Å; Q81-V137 VanDerWaalsContact CG-O 3.24Å; Q81-V137 WeakPolarHBondContact CG-O 3.47Å
82F98.6Very high98.3Very high22 Ų2236.8 Ų36.810%0.09617%0.173CC..EExtended strand (participates in β ladder)trans-73.2132.1165.3-82.2-87.4000109.9R17 W18 R19 P20 A33 L46 D84 I88R17-F82 HydrophobicContact CB-CD2 3.88Å; R17-F82 HydrophobicContact CB-CE2 4.07Å; R17-F82 WeakPolarHBondContact O-CE2 3.21Å; W18-F82 WeakPolarHBondContact O-CD2 3.41Å; W18-F82 WeakPolarHBondContact O-CE2 3.46Å; R19-F82 HydrophobicContact CB-CE1 3.98Å; R19-F82 HydrophobicContact CB-CE2 4.23Å; R19-F82 HydrophobicContact CB-CZ 3.75Å; R19-F82 HydrophobicContact CG-CD1 4.41Å; R19-F82 HydrophobicContact CG-CE1 3.91Å; R19-F82 HydrophobicContact CG-CZ 4.21Å; P20-F82 HydrophobicContact CG-CB 3.87Å; P20-F82 HydrophobicContact CG-CG 4.38Å; A33-F82 HydrophobicContact CB-CE2 3.66Å; A33-F82 HydrophobicContact CB-CZ 3.68Å; L46-F82 HydrophobicContact CD2-CZ 3.94Å; F82-D84 WeakPolarHBondContact CD1-O 3.2Å; F82-I88 HydrophobicContact CD1-CG1 3.73Å; F82-I88 HydrophobicContact CE1-CD1 3.89Å; F82-I88 HydrophobicContact CE1-CG1 3.51Å; F82-I88 HydrophobicContact CG-CG1 4.44Å; F82-I88 HydrophobicContact CZ-CD1 4.06Å; F82-I88 HydrophobicContact CZ-CG1 4.03Å
83F98Very high98.3Very high12 Ų1231.6 Ų31.65%0.05316%0.157CC..SBendtrans-86.5-37.7171.9-174.3-104.8000111.6R87 V89 C139 N141 I144 A158F83-R87 HydrophobicContact CB-CB 4.02Å; F83-R87 HydrophobicContact CD1-CB 4.35Å; F83-R87 VanDerWaalsContact CD1-CZ 3.49Å; F83-R87 VanDerWaalsContact CE1-CZ 3.41Å; F83-R87 VanDerWaalsContact CE1-NH2 3.26Å; F83-R87 PolarHBondContact N-O 2.87Å; F83-V89 HydrophobicContact CB-CG2 3.89Å; F83-V89 HydrophobicContact CD2-CG2 4.38Å; F83-V89 HydrophobicContact CG-CG2 4.47Å; F83-C139 HydrophobicContact CD2-CB 3.95Å; F83-N141 HydrophobicContact CE1-CB 4.16Å; F83-N141 HydrophobicContact CE2-CB 4.32Å; F83-N141 HydrophobicContact CZ-CB 4Å; F83-I144 HydrophobicContact CD2-CD1 4.01Å; F83-I144 HydrophobicContact CD2-CG1 3.67Å; F83-I144 HydrophobicContact CE2-CD1 3.96Å; F83-I144 HydrophobicContact CE2-CG1 3.48Å; F83-I144 VanDerWaalsContact CE2-CG1 3.48Å; F83-I144 HydrophobicContact CZ-CG1 4.5Å; F83-A158 HydrophobicContact CE1-CB 3.94Å; F83-A158 HydrophobicContact CZ-CB 3.78Å
84D96.8Very high98.2Very high39 Ų3933.1 Ų33.121%0.20917%0.167CC..SBendtrans-156.1-159.6170.258.241.6000108.8F82 E86 R87F82-D84 WeakPolarHBondContact CD1-O 3.2Å; D84-E86 VanDerWaalsContact C-N 3.28Å; D84-E86 PolarHBondContact O-N 3.05Å; D84-E86 PolarHBondContact OD1-N 3.22Å; D84-R87 PolarHBondContact N-O 2.89Å; D84-R87 PolarHBondContact OD1-N 2.88Å; D84-R87 IonicContact OD1-NE 3.88Å; D84-R87 IonicContact OD2-CZ 2.95Å; D84-R87 IonicContact OD2-NE 3.26Å; D84-R87 PolarHBondContact OD2-NE 3.02Å; D84-R87 IonicContact OD2-NH2 3.58Å; D84-R87 PolarHBondContact OD2-NH2 3.39Å
85Q96.4Very high98.3Very high73 Ų7326.1 Ų26.134%0.34114%0.135SC..SBendtrans-68.4-23-177.7-67.8-163.67800114.6R19 P22R19-Q85 VanDerWaalsContact CD-O 3.26Å; R19-Q85 WeakPolarHBondContact CD-O 3.47Å; P22-Q85 VanDerWaalsContact CD-OE1 3.28Å; P22-Q85 VanDerWaalsContact CG-OE1 3.24Å
86E96.9Very high98.3Very high98 Ų9825.8 Ų25.846%0.45813%0.129SC..SBendtrans-119.3-19.2-171-64.3173.6176.700112D84 L101 H102D84-E86 VanDerWaalsContact C-N 3.28Å; D84-E86 PolarHBondContact O-N 3.05Å; D84-E86 PolarHBondContact OD1-N 3.22Å; E86-L101 HydrophobicContact CB-CD1 3.93Å; E86-H102 WeakPolarHBondContact O-CB 3.48Å; E86-H102 PolarHBondContact O-N 2.95Å
87R98.3Very high98.3Very high46 Ų4623.8 Ų23.817%0.17412%0.119CC..EExtended strand (participates in β ladder)trans-107.5131.2-178.1-67.6-177.8-69.9-177.4-5.7112.3F83 D84 V99 F100 L101F83-R87 HydrophobicContact CB-CB 4.02Å; F83-R87 HydrophobicContact CD1-CB 4.35Å; F83-R87 VanDerWaalsContact CD1-CZ 3.49Å; F83-R87 VanDerWaalsContact CE1-CZ 3.41Å; F83-R87 VanDerWaalsContact CE1-NH2 3.26Å; F83-R87 PolarHBondContact N-O 2.87Å; D84-R87 PolarHBondContact N-O 2.89Å; D84-R87 PolarHBondContact OD1-N 2.88Å; D84-R87 IonicContact OD1-NE 3.88Å; D84-R87 IonicContact OD2-CZ 2.95Å; D84-R87 IonicContact OD2-NE 3.26Å; D84-R87 PolarHBondContact OD2-NE 3.02Å; D84-R87 IonicContact OD2-NH2 3.58Å; D84-R87 PolarHBondContact OD2-NH2 3.39Å; R87-V99 HydrophobicContact CB-CG1 4.09Å; R87-V99 HydrophobicContact CG-CG1 4.33Å; R87-F100 VanDerWaalsContact CA-O 3.24Å; R87-F100 WeakPolarHBondContact CA-O 3.47Å; R87-L101 HydrophobicContact CG-CD1 3.99Å
88I98.7Very high98.3Very high0 Ų024.2 Ų24.20%012%0.122CC..EExtended strand (participates in β ladder)trans-117.7130.4177.5-59.2165.3000107.8A33 L46 L80 F82 T90 V99 F100 L109A33-I88 HydrophobicContact CB-CD1 3.94Å; L46-I88 HydrophobicContact CD1-CD1 4.23Å; L46-I88 HydrophobicContact CD2-CD1 4.11Å; L46-I88 HydrophobicContact CG-CD1 4.16Å; L80-I88 HydrophobicContact CD1-CG2 4.11Å; L80-I88 HydrophobicContact CD2-CG2 3.97Å; L80-I88 HydrophobicContact CG-CG2 3.81Å; F82-I88 HydrophobicContact CD1-CG1 3.73Å; F82-I88 HydrophobicContact CE1-CD1 3.89Å; F82-I88 HydrophobicContact CE1-CG1 3.51Å; F82-I88 HydrophobicContact CG-CG1 4.44Å; F82-I88 HydrophobicContact CZ-CD1 4.06Å; F82-I88 HydrophobicContact CZ-CG1 4.03Å; I88-T90 HydrophobicContact CG2-CG2 4.28Å; I88-V99 CarbonylContact O-C 3.48Å; I88-V99 WeakPolarHBondContact O-CA 3.49Å; I88-F100 PolarHBondContact N-O 2.78Å; I88-F100 PolarHBondContact O-N 2.8Å; I88-L109 HydrophobicContact CD1-CD2 4.34Å
89V98.8Very high98.3Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-103.3132.4174.1-167.60000108.8L80 Q81 F83 V97 T98 V99 V137 I144L80-V89 WeakPolarHBondContact CA-O 2.84Å; Q81-V89 PolarHBondContact N-O 3.16Å; Q81-V89 PolarHBondContact O-N 3.02Å; F83-V89 HydrophobicContact CB-CG2 3.89Å; F83-V89 HydrophobicContact CD2-CG2 4.38Å; F83-V89 HydrophobicContact CG-CG2 4.47Å; V89-V97 HydrophobicContact CG1-CG1 3.84Å; V89-T98 CarbonylContact C-O 3.52Å; V89-T98 VanDerWaalsContact CA-O 3.31Å; V89-T98 WeakPolarHBondContact CA-O 3.48Å; V89-V99 HydrophobicContact CG2-CG2 4.28Å; V89-V137 HydrophobicContact CB-CG2 4.11Å; V89-V137 HydrophobicContact CG1-CG2 3.79Å; V89-I144 HydrophobicContact CG1-CD1 4.46Å; V89-I144 HydrophobicContact CG1-CG2 4.08Å; V89-I144 HydrophobicContact CG2-CD1 3.87Å; V89-I144 HydrophobicContact CG2-CG1 4.37Å
90T98.9Very high98.3Very high0 Ų021.1 Ų21.10%011%0.106CC..EExtended strand (participates in β ladder)trans-122.6147173.1680000112V44 H73 V77 D79 L80 I88 V97 T98 F100V44-T90 HydrophobicContact CG2-CG2 3.79Å; H73-T90 PolarHBondContact NE2-OG1 2.88Å; H73-T90 VanDerWaalsContact NE2-OG1 3.08Å; V77-T90 HydrophobicContact CG1-CG2 4.34Å; D79-T90 WeakPolarHBondContact O-CA 3.45Å; L80-T90 HydrophobicContact CB-CG2 4.43Å; L80-T90 HydrophobicContact CD1-CG2 3.91Å; L80-T90 HydrophobicContact CG-CG2 4.06Å; I88-T90 HydrophobicContact CG2-CG2 4.28Å; T90-V97 WeakPolarHBondContact O-CA 3.12Å; T90-T98 PolarHBondContact N-O 2.88Å; T90-T98 PolarHBondContact O-N 3.27Å; T90-F100 HydrophobicContact CG2-CD2 4.03Å; T90-F100 HydrophobicContact CG2-CE2 3.84Å; T90-F100 WeakPolarHBondContact OG1-CE2 3.42Å
91A98.8Very high98.3Very high0 Ų022.7 Ų22.70%011%0.114CC..EExtended strand (participates in β ladder)trans-103134.716800000109.6M78 D79 C134 V137M78-A91 HydrophobicContact CB-CB 4.38Å; M78-A91 PolarHBondContact N-O 2.87Å; D79-A91 HydrophobicContact CB-CB 4.1Å; D79-A91 PolarHBondContact O-N 2.83Å; A91-C134 HydrophobicContact CB-CB 3.75Å; A91-C134 WeakPolarHBondContact CB-O 3.09Å; A91-C134 WeakPolarHBondContact CB-SG 3.43Å; A91-V137 HydrophobicContact CB-CG1 3.85Å
92S98.8Very high98.2Very high2 Ų220.6 Ų20.61%0.01410%0.104CC..EExtended strand (participates in β ladder)trans-109.5150.1-178175.30000112.7H74 D76 T94 G95 C96 C134H74-S92 PolarHBondContact O-OG 3.43Å; D76-S92 WeakPolarHBondContact O-CA 3.43Å; S92-T94 WeakPolarHBondContact CB-OG1 3.41Å; S92-T94 PolarHBondContact O-N 2.9Å; S92-T94 VanDerWaalsContact O-N 3.14Å; S92-T94 PolarHBondContact OG-N 2.85Å; S92-T94 VanDerWaalsContact OG-N 3.11Å; S92-T94 PolarHBondContact OG-OG1 2.74Å; S92-G95 PolarHBondContact O-N 3.21Å; S92-C96 WeakPolarHBondContact CB-O 3.46Å; S92-C96 PolarHBondContact N-O 2.9Å; S92-C134 PolarHBondContact O-N 3.05Å; S92-C134 VanDerWaalsContact O-N 3.15Å
93S98.5Very high98.2Very high28 Ų2822.1 Ų22.120%0.19611%0.112CC..THydrogen-bonded Turntrans-61.7-17169.261.20000113.1D76 M78 G95D76-S93 PolarHBondContact N-OG 2.91Å; D76-S93 PolarHBondContact O-N 2.98Å; D76-S93 VanDerWaalsContact O-N 3.14Å; D76-S93 PolarHBondContact OD2-OG 2.88Å; D76-S93 VanDerWaalsContact OD2-OG 3.13Å; M78-S93 VanDerWaalsContact CG-N 3.29Å; S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact O-N 2.85Å
94T97.9Very high98Very high41 Ų4124.5 Ų24.525%0.25213%0.128SC..THydrogen-bonded Turntrans-76-11.9172.164.80000114.1S92 C96 S131S92-T94 WeakPolarHBondContact CB-OG1 3.41Å; S92-T94 PolarHBondContact O-N 2.9Å; S92-T94 VanDerWaalsContact O-N 3.14Å; S92-T94 PolarHBondContact OG-N 2.85Å; S92-T94 VanDerWaalsContact OG-N 3.11Å; S92-T94 PolarHBondContact OG-OG1 2.74Å; T94-C96 VanDerWaalsContact C-N 3.33Å; T94-C96 WeakPolarHBondContact OG1-CB 3.36Å; T94-C96 PolarHBondContact OG1-N 2.97Å; T94-S131 WeakPolarHBondContact O-CB 3.32Å
95G98.1Very high97.9Very high0 Ų029.1 Ų29.10%015%0.153CC..SBendtrans86.30.9-171.500000114.7S92 S93 A118 H119 A132S92-G95 PolarHBondContact O-N 3.21Å; S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact O-N 2.85Å; G95-A118 WeakPolarHBondContact O-CB 3.47Å; G95-H119 PolarHBondContact O-N 3.17Å; G95-A132 WeakPolarHBondContact CA-O 3.29Å; G95-A132 PolarHBondContact N-O 3.14Å
96C98.3Very high97.8Very high13 Ų1329.9 Ų29.99%0.08816%0.16CC..  trans-74.4141.2172.4-172.40000111.3S92 T94 W115S92-C96 WeakPolarHBondContact CB-O 3.46Å; S92-C96 PolarHBondContact N-O 2.9Å; T94-C96 VanDerWaalsContact C-N 3.33Å; T94-C96 WeakPolarHBondContact OG1-CB 3.36Å; T94-C96 PolarHBondContact OG1-N 2.97Å; C96-W115 WeakPolarHBondContact CA-O 3.37Å
97V98.7Very high97.8Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-114.4124.2168.7177.20000108.1V89 T90 Q114 W115 A118 C134 T146V89-V97 HydrophobicContact CG1-CG1 3.84Å; T90-V97 WeakPolarHBondContact O-CA 3.12Å; V97-Q114 CarbonylContact O-C 3.57Å; V97-Q114 VanDerWaalsContact O-CA 3.31Å; V97-Q114 WeakPolarHBondContact O-CA 3.45Å; V97-W115 HydrophobicContact CB-CE3 4.1Å; V97-W115 HydrophobicContact CG1-CE3 3.85Å; V97-W115 HydrophobicContact CG1-CZ3 4.16Å; V97-W115 PolarHBondContact N-O 3.47Å; V97-W115 VanDerWaalsContact N-O 3.1Å; V97-W115 PolarHBondContact O-N 2.78Å; V97-A118 HydrophobicContact CB-CB 4.16Å; V97-A118 HydrophobicContact CG2-CB 3.58Å; V97-C134 HydrophobicContact CG2-CB 4.38Å; V97-T146 HydrophobicContact CG1-CG2 4.06Å; V97-T146 HydrophobicContact CG2-CG2 3.83Å
98T98.7Very high97.8Very high11 Ų1129.1 Ų29.17%0.06716%0.162CC..EExtended strand (participates in β ladder)trans-122.8133.6-174.8-55.80000111V89 T90 F100 V111 Q114V89-T98 CarbonylContact C-O 3.52Å; V89-T98 VanDerWaalsContact CA-O 3.31Å; V89-T98 WeakPolarHBondContact CA-O 3.48Å; T90-T98 PolarHBondContact N-O 2.88Å; T90-T98 PolarHBondContact O-N 3.27Å; T98-F100 HydrophobicContact CG2-CD1 4.16Å; T98-F100 HydrophobicContact CG2-CD2 4.13Å; T98-F100 HydrophobicContact CG2-CE1 3.8Å; T98-F100 HydrophobicContact CG2-CE2 3.76Å; T98-F100 HydrophobicContact CG2-CG 4.32Å; T98-F100 HydrophobicContact CG2-CZ 3.58Å; T98-V111 HydrophobicContact CG2-CG1 3.99Å; T98-V111 HydrophobicContact CG2-CG2 4.3Å; T98-Q114 HydrophobicContact CG2-CB 4.36Å
99V98.6Very high97.8Very high5 Ų529.9 Ų29.93%0.0317%0.166CC..EExtended strand (participates in β ladder)trans-99.6112.5167.3-171.90000107.6R87 I88 V89 N112 Q113 W115 I144R87-V99 HydrophobicContact CB-CG1 4.09Å; R87-V99 HydrophobicContact CG-CG1 4.33Å; I88-V99 CarbonylContact O-C 3.48Å; I88-V99 WeakPolarHBondContact O-CA 3.49Å; V89-V99 HydrophobicContact CG2-CG2 4.28Å; V99-N112 HydrophobicContact CG1-CB 4.41Å; V99-N112 WeakPolarHBondContact O-CA 3.17Å; V99-N112 WeakPolarHBondContact O-CB 3.35Å; V99-N112 PolarHBondContact O-N 3.29Å; V99-Q113 HydrophobicContact CB-CB 4.25Å; V99-Q113 HydrophobicContact CG2-CB 4.37Å; V99-Q113 PolarHBondContact N-O 2.77Å; V99-Q113 PolarHBondContact O-N 2.64Å; V99-W115 HydrophobicContact CG2-CH2 4.15Å; V99-W115 HydrophobicContact CG2-CZ3 3.74Å; V99-I144 HydrophobicContact CG2-CD1 4.05Å
100F98.6Very high97.8Very high5 Ų531.6 Ų31.62%0.02218%0.178CC..EExtended strand (participates in β ladder)trans-88.7147169.4-62.6-77000110.4V44 I71 R87 I88 T90 T98 L109 S110 V111V44-F100 HydrophobicContact CG2-CD2 4.35Å; V44-F100 HydrophobicContact CG2-CE2 3.86Å; V44-F100 HydrophobicContact CG2-CZ 4.43Å; I71-F100 HydrophobicContact CD1-CD1 4.08Å; I71-F100 HydrophobicContact CD1-CE1 3.94Å; I71-F100 HydrophobicContact CG1-CE1 4.37Å; I71-F100 HydrophobicContact CG2-CD1 3.81Å; I71-F100 HydrophobicContact CG2-CE1 3.71Å; I71-F100 HydrophobicContact CG2-CG 4.42Å; I71-F100 HydrophobicContact CG2-CZ 4.26Å; R87-F100 VanDerWaalsContact CA-O 3.24Å; R87-F100 WeakPolarHBondContact CA-O 3.47Å; I88-F100 PolarHBondContact N-O 2.78Å; I88-F100 PolarHBondContact O-N 2.8Å; T90-F100 HydrophobicContact CG2-CD2 4.03Å; T90-F100 HydrophobicContact CG2-CE2 3.84Å; T90-F100 WeakPolarHBondContact OG1-CE2 3.42Å; T98-F100 HydrophobicContact CG2-CD1 4.16Å; T98-F100 HydrophobicContact CG2-CD2 4.13Å; T98-F100 HydrophobicContact CG2-CE1 3.8Å; T98-F100 HydrophobicContact CG2-CE2 3.76Å; T98-F100 HydrophobicContact CG2-CG 4.32Å; T98-F100 HydrophobicContact CG2-CZ 3.58Å; F100-L109 HydrophobicContact CB-CD2 4.3Å; F100-S110 CarbonylContact C-O 3.57Å; F100-S110 VanDerWaalsContact CA-O 3.27Å; F100-S110 WeakPolarHBondContact CA-O 3.45Å; F100-V111 HydrophobicContact CD1-CG2 4.09Å; F100-V111 HydrophobicContact CE1-CG2 3.72Å
101L98.4Very high97.7Very high34 Ų3435 Ų3518%0.17820%0.199CC..EExtended strand (participates in β ladder)trans-114.7122.5170.9173.767.6000109E86 R87 H103 L109 S110 N112E86-L101 HydrophobicContact CB-CD1 3.93Å; R87-L101 HydrophobicContact CG-CD1 3.99Å; L101-H103 VanDerWaalsContact CD2-CE1 3.49Å; L101-H103 WeakPolarHBondContact CD2-CE1 3.43Å; L101-L109 WeakPolarHBondContact O-CA 3.35Å; L101-S110 PolarHBondContact N-O 2.68Å; L101-S110 PolarHBondContact O-N 3.29Å; L101-S110 PolarHBondContact O-OG 2.65Å; L101-N112 HydrophobicContact CB-CB 3.83Å
102H98.5Very high97.7Very high3 Ų338.5 Ų38.51%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-80.1134.4167.1179.6-129.1000109.7L46 E86 P104 Q107 T108 L109L46-H102 HydrophobicContact CD1-CB 3.82Å; L46-H102 WeakPolarHBondContact CD1-CD2 3.48Å; L46-H102 VanDerWaalsContact CD1-CG 3.45Å; E86-H102 WeakPolarHBondContact O-CB 3.48Å; E86-H102 PolarHBondContact O-N 2.95Å; H102-P104 WeakPolarHBondContact O-CD 3.28Å; H102-Q107 PolarHBondContact CE1-OE1 2.74Å; H102-Q107 VanDerWaalsContact CE1-OE1 3.31Å; H102-Q107 PolarHBondContact NE2-OE1 3.16Å; H102-T108 WeakPolarHBondContact CA-O 3.37Å; H102-L109 HydrophobicContact CB-CD2 3.89Å
103H97.9Very high97.6Very high55 Ų5539.8 Ų39.826%0.25522%0.223SC..EExtended strand (participates in β ladder)trans-108.496.7176.3-66.4-83.9000108.7L101 N105 N106 Q107 T108 S110L101-H103 VanDerWaalsContact CD2-CE1 3.49Å; L101-H103 WeakPolarHBondContact CD2-CE1 3.43Å; H103-N105 WeakPolarHBondContact CB-OD1 3.36Å; H103-N105 PolarHBondContact O-N 3.45Å; H103-N105 VanDerWaalsContact O-N 3.17Å; H103-N106 WeakPolarHBondContact CB-OD1 3.5Å; H103-N106 PolarHBondContact O-N 2.73Å; H103-N106 PolarHBondContact O-OD1 3.41Å; H103-N106 VanDerWaalsContact O-OD1 3.13Å; H103-Q107 WeakPolarHBondContact O-CA 3.28Å; H103-Q107 PolarHBondContact O-N 3.1Å; H103-T108 PolarHBondContact N-O 2.88Å; H103-T108 PolarHBondContact O-N 3.28Å; H103-S110 PolarHBondContact NE2-OG 3.04Å
104P93.3Very high97.5Very high61 Ų6143.5 Ų43.540%0.39624%0.237SC..THydrogen-bonded Turntrans-64.7-23.5-173.1-23.634.3000114H102 Q107H102-P104 WeakPolarHBondContact O-CD 3.28Å; P104-Q107 PolarHBondContact O-NE2 2.94Å
105N94.6Very high97.5Very high137 Ų13742.2 Ų42.273%0.73323%0.228SC*.THydrogen-bonded Turntrans-69.9-30.9-178.961.4-32.2000113.6H103H103-N105 WeakPolarHBondContact CB-OD1 3.36Å; H103-N105 PolarHBondContact O-N 3.45Å; H103-N105 VanDerWaalsContact O-N 3.17Å
106N95.1Very high97.5Very high89 Ų8946.3 Ų46.348%0.47625%0.253SS..THydrogen-bonded Turntrans-125.12.9-18065.87.2000113.2H103 T108H103-N106 WeakPolarHBondContact CB-OD1 3.5Å; H103-N106 PolarHBondContact O-N 2.73Å; H103-N106 PolarHBondContact O-OD1 3.41Å; H103-N106 VanDerWaalsContact O-OD1 3.13Å; N106-T108 HydrophobicContact CB-CG2 4.5Å; N106-T108 VanDerWaalsContact CG-OG1 3.31Å; N106-T108 PolarHBondContact ND2-OG1 2.96Å; N106-T108 PolarHBondContact OD1-N 2.86Å; N106-T108 PolarHBondContact OD1-OG1 3.02Å
107Q96.3Very high97.3Very high72 Ų7250 Ų5034%0.33628%0.275SS..THydrogen-bonded Turntrans49.762-176.6-57.5-62.1-25.100110.8C69 H102 H103 P104C69-Q107 WeakPolarHBondContact CB-O 3.49Å; H102-Q107 PolarHBondContact CE1-OE1 2.74Å; H102-Q107 VanDerWaalsContact CE1-OE1 3.31Å; H102-Q107 PolarHBondContact NE2-OE1 3.16Å; H103-Q107 WeakPolarHBondContact O-CA 3.28Å; H103-Q107 PolarHBondContact O-N 3.1Å; P104-Q107 PolarHBondContact O-NE2 2.94Å
108T98Very high97.3Very high55 Ų5550.1 Ų50.134%0.33728%0.276SS..EExtended strand (participates in β ladder)trans-130.1153.6174.162.10000111.1H102 H103 N106H102-T108 WeakPolarHBondContact CA-O 3.37Å; H103-T108 PolarHBondContact N-O 2.88Å; H103-T108 PolarHBondContact O-N 3.28Å; N106-T108 HydrophobicContact CB-CG2 4.5Å; N106-T108 VanDerWaalsContact CG-OG1 3.31Å; N106-T108 PolarHBondContact ND2-OG1 2.96Å; N106-T108 PolarHBondContact OD1-N 2.86Å; N106-T108 PolarHBondContact OD1-OG1 3.02Å
109L98.6Very high97.2Very high17 Ų1749.7 Ų49.79%0.08927%0.273CS..EExtended strand (participates in β ladder)trans-105.6144.9169.4-77.1165.5000109.5V44 L46 I71 I88 F100 L101 H102V44-L109 HydrophobicContact CG1-CD1 4.38Å; L46-L109 HydrophobicContact CD1-CD1 4.36Å; L46-L109 HydrophobicContact CD1-CD2 3.99Å; L46-L109 HydrophobicContact CD1-CG 4.32Å; L46-L109 HydrophobicContact CG-CD1 4.48Å; I71-L109 HydrophobicContact CB-CB 3.87Å; I71-L109 HydrophobicContact CG2-CB 3.77Å; I71-L109 HydrophobicContact CG2-CD1 3.94Å; I71-L109 HydrophobicContact CG2-CG 4.46Å; I88-L109 HydrophobicContact CD1-CD2 4.34Å; F100-L109 HydrophobicContact CB-CD2 4.3Å; L101-L109 WeakPolarHBondContact O-CA 3.35Å; H102-L109 HydrophobicContact CB-CD2 3.89Å
110S98.5Very high97.1Very high36 Ų3651.8 Ų51.825%0.25228%0.281SS..EExtended strand (participates in β ladder)trans-140.7151.9176.464.40000110.4F100 L101 H103 N112F100-S110 CarbonylContact C-O 3.57Å; F100-S110 VanDerWaalsContact CA-O 3.27Å; F100-S110 WeakPolarHBondContact CA-O 3.45Å; L101-S110 PolarHBondContact N-O 2.68Å; L101-S110 PolarHBondContact O-N 3.29Å; L101-S110 PolarHBondContact O-OG 2.65Å; H103-S110 PolarHBondContact NE2-OG 3.04Å; S110-N112 PolarHBondContact O-N 3.49Å
111V98.4Very high96.7Very high72 Ų7255.2 Ų55.244%0.43630%0.297SS..EExtended strand (participates in β ladder)trans-72.4115.1170.5177.90000108.4I71 T98 F100 Q114I71-V111 HydrophobicContact CD1-CG2 4.39Å; T98-V111 HydrophobicContact CG2-CG1 3.99Å; T98-V111 HydrophobicContact CG2-CG2 4.3Å; F100-V111 HydrophobicContact CD1-CG2 4.09Å; F100-V111 HydrophobicContact CE1-CG2 3.72Å; V111-Q114 HydrophobicContact CG1-CB 4.45Å; V111-Q114 HydrophobicContact CG1-CG 4.5Å
112N97.2Very high95.9Very high73 Ų7356.7 Ų56.739%0.3931%0.314SS..EExtended strand (participates in β ladder)trans-86.5-47.9176.9178.4-101000111.4V99 L101 S110V99-N112 HydrophobicContact CG1-CB 4.41Å; V99-N112 WeakPolarHBondContact O-CA 3.17Å; V99-N112 WeakPolarHBondContact O-CB 3.35Å; V99-N112 PolarHBondContact O-N 3.29Å; L101-N112 HydrophobicContact CB-CB 3.83Å; S110-N112 PolarHBondContact O-N 3.49Å
113Q96.9Very high94.3Very high29 Ų2958.1 Ų58.114%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-152151.1179.7179.2167.7-7.100109.6V99 W115 H160V99-Q113 HydrophobicContact CB-CB 4.25Å; V99-Q113 HydrophobicContact CG2-CB 4.37Å; V99-Q113 PolarHBondContact N-O 2.77Å; V99-Q113 PolarHBondContact O-N 2.64Å; Q113-W115 HydrophobicContact CG-CH2 4.3Å; Q113-W115 HydrophobicContact CG-CZ2 4.24Å; Q113-W115 VanDerWaalsContact NE2-CE2 3.27Å; Q113-H160 PolarHBondContact NE2-O 3.46Å
114Q97.3Very high92.3Very high106 Ų10662.2 Ų62.250%0.49536%0.361SS..EExtended strand (participates in β ladder)trans-147.6147.5174.160.7-179.1-23.500111.6V97 T98 V111 T116V97-Q114 CarbonylContact O-C 3.57Å; V97-Q114 VanDerWaalsContact O-CA 3.31Å; V97-Q114 WeakPolarHBondContact O-CA 3.45Å; T98-Q114 HydrophobicContact CG2-CB 4.36Å; V111-Q114 HydrophobicContact CG1-CB 4.45Å; V111-Q114 HydrophobicContact CG1-CG 4.5Å; Q114-T116 HydrophobicContact CG-CG2 4.13Å
115W98.2Very high90.6Very high14 Ų1463.7 Ų63.75%0.05339%0.387CS..EExtended strand (participates in β ladder)trans-116.391169.5-60.5-83.5000108.2C96 V97 V99 Q113 T117 A118 I144 F156 H160 K161C96-W115 WeakPolarHBondContact CA-O 3.37Å; V97-W115 HydrophobicContact CB-CE3 4.1Å; V97-W115 HydrophobicContact CG1-CE3 3.85Å; V97-W115 HydrophobicContact CG1-CZ3 4.16Å; V97-W115 PolarHBondContact N-O 3.47Å; V97-W115 VanDerWaalsContact N-O 3.1Å; V97-W115 PolarHBondContact O-N 2.78Å; V99-W115 HydrophobicContact CG2-CH2 4.15Å; V99-W115 HydrophobicContact CG2-CZ3 3.74Å; Q113-W115 HydrophobicContact CG-CH2 4.3Å; Q113-W115 HydrophobicContact CG-CZ2 4.24Å; Q113-W115 VanDerWaalsContact NE2-CE2 3.27Å; W115-T117 PolarHBondContact O-N 3.49Å; W115-A118 HydrophobicContact CB-CB 4.03Å; W115-A118 PolarHBondContact O-N 3.26Å; W115-I144 HydrophobicContact CH2-CD1 3.99Å; W115-I144 HydrophobicContact CZ3-CD1 4.14Å; W115-F156 HydrophobicContact CB-CE1 4.15Å; W115-F156 HydrophobicContact CB-CZ 4.09Å; W115-F156 AromaticContact CD1-CD1 3.76Å; W115-F156 AromaticContact CD1-CE1 3.52Å; W115-F156 AromaticContact CD2-CD1 3.72Å; W115-F156 HydrophobicContact CD2-CD1 3.72Å; W115-F156 HydrophobicContact CD2-CD2 4.32Å; W115-F156 AromaticContact CD2-CE1 3.88Å; W115-F156 HydrophobicContact CD2-CE1 3.88Å; W115-F156 HydrophobicContact CD2-CE2 4.45Å; W115-F156 AromaticContact CD2-CG 3.97Å; W115-F156 HydrophobicContact CD2-CG 3.97Å; W115-F156 HydrophobicContact CD2-CZ 4.25Å; W115-F156 AromaticContact CE2-CD1 3.4Å; W115-F156 AromaticContact CE2-CE1 3.95Å; W115-F156 AromaticContact CE2-CG 3.77Å; W115-F156 HydrophobicContact CE3-CD1 4.42Å; W115-F156 HydrophobicContact CE3-CD2 4.27Å; W115-F156 HydrophobicContact CE3-CG 4.22Å; W115-F156 AromaticContact CG-CD1 3.92Å; W115-F156 HydrophobicContact CG-CD1 3.92Å; W115-F156 AromaticContact CG-CE1 3.6Å; W115-F156 HydrophobicContact CG-CE1 3.6Å; W115-F156 AromaticContact CG-CZ 3.96Å; W115-F156 HydrophobicContact CG-CZ 3.96Å; W115-F156 HydrophobicContact CH2-CB 3.74Å; W115-F156 HydrophobicContact CH2-CG 4.12Å; W115-F156 HydrophobicContact CZ2-CB 3.59Å; W115-F156 AromaticContact CZ2-CD1 3.85Å; W115-F156 HydrophobicContact CZ2-CD1 3.85Å; W115-F156 AromaticContact CZ2-CG 3.84Å; W115-F156 HydrophobicContact CZ2-CG 3.84Å; W115-F156 HydrophobicContact CZ3-CB 4.29Å; W115-F156 HydrophobicContact CZ3-CD2 4.47Å; W115-F156 HydrophobicContact CZ3-CG 4.3Å; W115-F156 AromaticContact NE1-CD1 3.44Å; W115-F156 AromaticContact NE1-CE1 3.74Å; W115-H160 PolarHBondContact NE1-O 3.19Å; W115-K161 PolarHBondContact NE1-O 2.77Å; W115-K161 VanDerWaalsContact NE1-O 3.1Å
116T96.7Very high88.6Confident86 Ų8660 Ų6053%0.52837%0.372SS..THydrogen-bonded Turntrans-68.9-18.7-17455.30000113.7Q114Q114-T116 HydrophobicContact CG-CG2 4.13Å
117T95.8Very high86.9Confident89 Ų8961.7 Ų61.755%0.54639%0.389SS..THydrogen-bonded Turntrans-119.637.2178.360.10000110.7W115 Y120W115-T117 PolarHBondContact O-N 3.49Å; T117-Y120 WeakPolarHBondContact O-CD1 3.28Å; T117-Y120 WeakPolarHBondContact O-CE1 3.07Å
118A97.3Very high85.4Confident4 Ų461.8 Ų61.83%0.03340%0.397CS..SBendtrans-65.3-43.4175.100000110.9G95 V97 W115 N154 F156G95-A118 WeakPolarHBondContact O-CB 3.47Å; V97-A118 HydrophobicContact CB-CB 4.16Å; V97-A118 HydrophobicContact CG2-CB 3.58Å; W115-A118 HydrophobicContact CB-CB 4.03Å; W115-A118 PolarHBondContact O-N 3.26Å; A118-N154 PolarHBondContact O-ND2 3.25Å; A118-F156 HydrophobicContact CB-CE2 4.13Å; A118-F156 HydrophobicContact CB-CZ 3.81Å
119H98Very high84.3Confident1 Ų166.4 Ų66.41%0.00541%0.409CS..SBendtrans-129.9130.9177-65-82.3000111.6G95 A132 C134 T146 G148 D150 N154G95-H119 PolarHBondContact O-N 3.17Å; H119-A132 HydrophobicContact CB-CB 4.4Å; H119-A132 VanDerWaalsContact CB-O 3.25Å; H119-A132 WeakPolarHBondContact CB-O 3.43Å; H119-C134 VanDerWaalsContact CD2-SG 3.53Å; H119-T146 PolarHBondContact NE2-OG1 3.26Å; H119-G148 PolarHBondContact CE1-N 3.39Å; H119-G148 VanDerWaalsContact CE1-N 3.32Å; H119-D150 WeakPolarHBondContact CA-OD2 3.26Å; H119-D150 IonicContact CE1-OD1 2.77Å; H119-D150 IonicContact CG-OD1 3.62Å; H119-D150 IonicContact CG-OD2 3.99Å; H119-D150 IonicContact ND1-OD1 3.89Å; H119-D150 PolarHBondContact ND1-OD1 2.94Å; H119-D150 IonicContact ND1-OD2 3.96Å; H119-N154 PolarHBondContact CE1-ND2 3.32Å; H119-N154 VanDerWaalsContact CE1-ND2 3.32Å; H119-N154 PolarHBondContact NE2-ND2 2.87Å
120Y95.6Very high83.9Confident49 Ų4968.7 Ų68.719%0.19243%0.427CS..EExtended strand (participates in β ladder)trans-165.8152.6-178.362.3-88000112.1T117 A122 Y129 S130 D150 R152T117-Y120 WeakPolarHBondContact O-CD1 3.28Å; T117-Y120 WeakPolarHBondContact O-CE1 3.07Å; Y120-A122 HydrophobicContact CD2-CB 4.48Å; Y120-A122 HydrophobicContact CE2-CB 4.26Å; Y120-Y129 AromaticContact CD2-CD1 3.3Å; Y120-Y129 HydrophobicContact CD2-CD1 3.3Å; Y120-Y129 AromaticContact CD2-CE1 3.81Å; Y120-Y129 HydrophobicContact CD2-CE1 3.81Å; Y120-Y129 HydrophobicContact CD2-CG 4.11Å; Y120-Y129 AromaticContact CE2-CD1 3.51Å; Y120-Y129 HydrophobicContact CE2-CD1 3.51Å; Y120-Y129 AromaticContact CE2-CE1 3.47Å; Y120-Y129 HydrophobicContact CE2-CE1 3.47Å; Y120-Y129 VanDerWaalsContact CE2-CE1 3.47Å; Y120-Y129 HydrophobicContact CG-CD1 4.18Å; Y120-S130 WeakPolarHBondContact CA-O 3.2Å; Y120-D150 PolarHBondContact N-OD2 2.99Å; Y120-R152 VanDerWaalsContact CZ-NH2 3.34Å; Y120-R152 PolarHBondContact OH-NH2 2.84Å
121H90.6Very high83.6Confident77 Ų7770.7 Ų70.736%0.35644%0.441SS..EExtended strand (participates in β ladder)trans-95.5129165.5-57.8-67.9000110.3S130H121-S130 WeakPolarHBondContact CB-OG 3.24Å; H121-S130 PolarHBondContact N-O 2.78Å; H121-S130 PolarHBondContact O-N 2.89Å
122A81.3Confident83.6Confident66 Ų6667.2 Ų67.255%0.54542%0.42SS..EExtended strand (participates in β ladder)trans-94.8118.2169.700000109.2Y120 Y129Y120-A122 HydrophobicContact CD2-CB 4.48Å; Y120-A122 HydrophobicContact CE2-CB 4.26Å; A122-Y129 HydrophobicContact CB-CD1 4.27Å; A122-Y129 HydrophobicContact CB-CE1 4.23Å
123G65Low83.6Confident33 Ų3364.8 Ų64.834%0.3441%0.408SS..PPolyproline II helixtrans-72143.2174.200000111.6G125G123-G125 PolarHBondContact O-N 3.05Å; G123-G125 VanDerWaalsContact O-N 3.09Å
124P55.9Low83.7Confident140 Ų14063.4 Ų63.491%0.90940%0.402SS*.THydrogen-bonded Turntrans-62.9114.717222.7-29.2000110.1
125G58.1Low83.8Confident92 Ų9259.3 Ų59.395%0.94838%0.384SS*.THydrogen-bonded Turntrans82.26.4172.100000116.7G123G123-G125 PolarHBondContact O-N 3.05Å; G123-G125 VanDerWaalsContact O-N 3.09Å
126S52.7Low83.8Confident59 Ų5958.7 Ų58.741%0.41338%0.382SS..  trans-114.3134.4170.3-172.90000110.7S128S126-S128 PolarHBondContact O-N 3.2Å; S126-S128 PolarHBondContact OG-N 2.91Å; S126-S128 PolarHBondContact OG-OG 3.46Å
127P58Low83.9Confident126 Ų12654.6 Ų54.682%0.81836%0.357SS*.SBendtrans-71.70.8170.830.8-33.8000113
128S66.4Low84Confident74 Ų7451.4 Ų51.452%0.51734%0.337SS..  trans-84.7114.7176.765.30000111.1S126S126-S128 PolarHBondContact O-N 3.2Å; S126-S128 PolarHBondContact OG-N 2.91Å; S126-S128 PolarHBondContact OG-OG 3.46Å
129Y74.7Confident84Confident151 Ų15152.8 Ų52.859%0.59235%0.346SS*.EExtended strand (participates in β ladder)trans-76.8134.1165.6-57.7-70000109.4Y120 A122Y120-Y129 AromaticContact CD2-CD1 3.3Å; Y120-Y129 HydrophobicContact CD2-CD1 3.3Å; Y120-Y129 AromaticContact CD2-CE1 3.81Å; Y120-Y129 HydrophobicContact CD2-CE1 3.81Å; Y120-Y129 HydrophobicContact CD2-CG 4.11Å; Y120-Y129 AromaticContact CE2-CD1 3.51Å; Y120-Y129 HydrophobicContact CE2-CD1 3.51Å; Y120-Y129 AromaticContact CE2-CE1 3.47Å; Y120-Y129 HydrophobicContact CE2-CE1 3.47Å; Y120-Y129 VanDerWaalsContact CE2-CE1 3.47Å; Y120-Y129 HydrophobicContact CG-CD1 4.18Å; A122-Y129 HydrophobicContact CB-CD1 4.27Å; A122-Y129 HydrophobicContact CB-CE1 4.23Å
130S88.8Confident83.9Confident66 Ų6656.3 Ų56.346%0.46237%0.365SS..EExtended strand (participates in β ladder)trans-97142.5163.159.10000109.2Y120 H121Y120-S130 WeakPolarHBondContact CA-O 3.2Å; H121-S130 WeakPolarHBondContact CB-OG 3.24Å; H121-S130 PolarHBondContact N-O 2.78Å; H121-S130 PolarHBondContact O-N 2.89Å
131S93.6Very high83.8Confident77 Ų7758.3 Ų58.354%0.53838%0.379SS..EExtended strand (participates in β ladder)trans-57.9139.8176.249.80000110.8T94T94-S131 WeakPolarHBondContact O-CB 3.32Å
132A97.1Very high84Confident0 Ų057.3 Ų57.30%038%0.379CS..  trans-122.5125.516700000107.2G95 H119 C134 D150G95-A132 WeakPolarHBondContact CA-O 3.29Å; G95-A132 PolarHBondContact N-O 3.14Å; H119-A132 HydrophobicContact CB-CB 4.4Å; H119-A132 VanDerWaalsContact CB-O 3.25Å; H119-A132 WeakPolarHBondContact CB-O 3.43Å; A132-C134 PolarHBondContact O-N 3.49Å; A132-D150 HydrophobicContact CB-CB 3.72Å
133P98.5Very high84.8Confident22 Ų2255.9 Ų55.914%0.14336%0.361CS..  trans-55.2135-179-26.433.5000112.5M78 T135 G148 E149M78-P133 HydrophobicContact CE-CB 4.41Å; P133-T135 HydrophobicContact CB-CG2 4.5Å; P133-G148 WeakPolarHBondContact O-CA 3.4Å; P133-E149 HydrophobicContact CB-CG 3.98Å; P133-E149 WeakPolarHBondContact CD-OE2 3.34Å; P133-E149 HydrophobicContact CG-CG 4.05Å; P133-E149 PolarHBondContact O-N 3.01Å
134C98.8Very high86.4Confident0 Ų054.3 Ų54.30%035%0.345CS..EExtended strand (participates in β ladder)trans-81.4115.1164.2-175.60000106.7M78 A91 S92 V97 H119 A132 V147M78-C134 WeakPolarHBondContact CB-O 3.39Å; M78-C134 WeakPolarHBondContact CG-O 3.32Å; A91-C134 HydrophobicContact CB-CB 3.75Å; A91-C134 WeakPolarHBondContact CB-O 3.09Å; A91-C134 WeakPolarHBondContact CB-SG 3.43Å; S92-C134 PolarHBondContact O-N 3.05Å; S92-C134 VanDerWaalsContact O-N 3.15Å; V97-C134 HydrophobicContact CG2-CB 4.38Å; H119-C134 VanDerWaalsContact CD2-SG 3.53Å; A132-C134 PolarHBondContact O-N 3.49Å; C134-V147 CarbonylContact C-O 3.59Å
135T98.8Very high88.4Confident20 Ų2047.7 Ų47.712%0.12330%0.302CS..EExtended strand (participates in β ladder)trans-96.7-25.6-167.748.70000113.2P133 V147 G148 E149 L175 H176P133-T135 HydrophobicContact CB-CG2 4.5Å; T135-V147 PolarHBondContact N-O 2.73Å; T135-V147 PolarHBondContact OG1-O 3Å; T135-G148 WeakPolarHBondContact OG1-CA 3.39Å; T135-E149 HydrophobicContact CG2-CG 3.74Å; T135-L175 WeakPolarHBondContact CB-O 3.28Å; T135-L175 PolarHBondContact OG1-O 2.92Å; T135-H176 CarbonylContact C-O 3.56Å
136G98.6Very high90.3Very high1 Ų143.3 Ų43.31%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-151.2147.2178.700000113.2D79 T146 V147D79-G136 WeakPolarHBondContact OD2-CA 3.24Å; G136-T146 VanDerWaalsContact O-CA 3.29Å; G136-T146 WeakPolarHBondContact O-CA 3.47Å; G136-V147 PolarHBondContact N-O 2.98Å; G136-V147 PolarHBondContact O-N 2.83Å
137V98.8Very high92.5Very high0 Ų040.5 Ų40.50%024%0.237CC..EExtended strand (participates in β ladder)trans-137135.1176.234.70000109.9D79 Q81 V89 A91 I144 V145 T146D79-V137 HydrophobicContact CB-CG1 3.72Å; D79-V137 WeakPolarHBondContact OD2-CG1 3.48Å; D79-V137 PolarHBondContact OD2-N 2.86Å; Q81-V137 VanDerWaalsContact CG-O 3.24Å; Q81-V137 WeakPolarHBondContact CG-O 3.47Å; V89-V137 HydrophobicContact CB-CG2 4.11Å; V89-V137 HydrophobicContact CG1-CG2 3.79Å; A91-V137 HydrophobicContact CB-CG1 3.85Å; V137-I144 HydrophobicContact CG2-CG2 4.1Å; V137-V145 WeakPolarHBondContact CA-O 3.32Å; V137-T146 HydrophobicContact CB-CG2 4.2Å
138V98.6Very high94.5Very high22 Ų2234.5 Ų34.513%0.13320%0.198CC..EExtended strand (participates in β ladder)trans-131.3145.6168.5-69.10000111.6V145 V178 F180V138-V145 HydrophobicContact CG2-CB 3.92Å; V138-V145 HydrophobicContact CG2-CG1 4.44Å; V138-V145 PolarHBondContact N-O 3Å; V138-V145 PolarHBondContact O-N 2.91Å; V138-V178 HydrophobicContact CG1-CG1 4.31Å; V138-V178 WeakPolarHBondContact CG1-O 3.44Å; V138-V178 HydrophobicContact CG2-CG1 3.96Å; V138-V178 HydrophobicContact CG2-CG2 4.31Å; V138-F180 HydrophobicContact CB-CD2 4.12Å; V138-F180 HydrophobicContact CB-CE2 4.16Å; V138-F180 HydrophobicContact CG2-CD2 3.68Å; V138-F180 HydrophobicContact CG2-CE2 3.63Å; V138-F180 HydrophobicContact CG2-CZ 4.48Å
139C97.3Very high96Very high33 Ų3334.9 Ų34.922%0.22319%0.192CC..EExtended strand (participates in β ladder)trans-115.4133.8-174.5-64.40000110.6F83F83-C139 HydrophobicContact CD2-CB 3.95Å
140N95.6Very high97Very high75 Ų7528.6 Ų28.640%0.40117%0.169SC..EExtended strand (participates in β ladder)trans-142.487.2164.1-175.215.6000108.4E143 F180 T183N140-E143 CarbonylContact C-O 3.55Å; N140-E143 PolarHBondContact N-O 2.95Å; N140-E143 WeakPolarHBondContact O-CA 3.38Å; N140-E143 WeakPolarHBondContact O-CB 3.49Å; N140-E143 PolarHBondContact O-N 2.98Å; N140-F180 HydrophobicContact CB-CD2 3.96Å; N140-F180 HydrophobicContact CB-CE1 4.43Å; N140-F180 HydrophobicContact CB-CE2 3.58Å; N140-F180 HydrophobicContact CB-CZ 3.83Å; N140-T183 PolarHBondContact ND2-OG1 3.46Å
141N93.5Very high97.4Very high90 Ų9025.5 Ų25.548%0.48115%0.147SC..THydrogen-bonded Turntrans-44.5120.3-171.1-179.1-3.1000112.1F83F83-N141 HydrophobicContact CE1-CB 4.16Å; F83-N141 HydrophobicContact CE2-CB 4.32Å; F83-N141 HydrophobicContact CZ-CB 4Å
142P95.1Very high97.6Very high57 Ų5724 Ų2437%0.3713%0.129SC..THydrogen-bonded Turncis-96.110.417.638.5-37.7000116.5R157 A158P142-R157 WeakPolarHBondContact O-CA 3.37Å; P142-A158 PolarHBondContact O-N 2.81Å; P142-A158 VanDerWaalsContact O-N 3.15Å
143E96.8Very high97.6Very high35 Ų3524 Ų2416%0.16413%0.129CC..EExtended strand (participates in β ladder)trans-95.6142.7-172-61.8177.5160.600112.5N140 L155 F156 R157 F180 T183N140-E143 CarbonylContact C-O 3.55Å; N140-E143 PolarHBondContact N-O 2.95Å; N140-E143 WeakPolarHBondContact O-CA 3.38Å; N140-E143 WeakPolarHBondContact O-CB 3.49Å; N140-E143 PolarHBondContact O-N 2.98Å; E143-L155 HydrophobicContact CB-CD1 3.89Å; E143-L155 HydrophobicContact CG-CD1 4.1Å; E143-F156 WeakPolarHBondContact CA-O 3.37Å; E143-R157 HydrophobicContact CG-CG 4.38Å; E143-F180 HydrophobicContact CB-CZ 4.4Å; E143-T183 WeakPolarHBondContact OE2-CG2 3.46Å
144I98.3Very high97.6Very high1 Ų123.1 Ų23.11%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-127.2126.9171.9-58.7167.9000106.5F83 V89 V99 W115 V137 T146 F156F83-I144 HydrophobicContact CD2-CD1 4.01Å; F83-I144 HydrophobicContact CD2-CG1 3.67Å; F83-I144 HydrophobicContact CE2-CD1 3.96Å; F83-I144 HydrophobicContact CE2-CG1 3.48Å; F83-I144 VanDerWaalsContact CE2-CG1 3.48Å; F83-I144 HydrophobicContact CZ-CG1 4.5Å; V89-I144 HydrophobicContact CG1-CD1 4.46Å; V89-I144 HydrophobicContact CG1-CG2 4.08Å; V89-I144 HydrophobicContact CG2-CD1 3.87Å; V89-I144 HydrophobicContact CG2-CG1 4.37Å; V99-I144 HydrophobicContact CG2-CD1 4.05Å; W115-I144 HydrophobicContact CH2-CD1 3.99Å; W115-I144 HydrophobicContact CZ3-CD1 4.14Å; V137-I144 HydrophobicContact CG2-CG2 4.1Å; I144-T146 HydrophobicContact CG2-CG2 4.07Å; I144-F156 HydrophobicContact CB-CB 4.21Å; I144-F156 PolarHBondContact N-O 3.32Å; I144-F156 PolarHBondContact O-N 3.31Å
145V98.6Very high97.6Very high0 Ų023.5 Ų23.50%013%0.126CC..EExtended strand (participates in β ladder)trans-113.3134.2176.1172.80000109.2V137 V138 I153 N154 L155 V178 F180 I186 F200V137-V145 WeakPolarHBondContact CA-O 3.32Å; V138-V145 HydrophobicContact CG2-CB 3.92Å; V138-V145 HydrophobicContact CG2-CG1 4.44Å; V138-V145 PolarHBondContact N-O 3Å; V138-V145 PolarHBondContact O-N 2.91Å; V145-I153 HydrophobicContact CG1-CG2 4.26Å; V145-N154 VanDerWaalsContact CA-O 3.25Å; V145-N154 WeakPolarHBondContact CA-O 3.49Å; V145-L155 HydrophobicContact CG2-CD1 3.75Å; V145-V178 HydrophobicContact CG1-CG2 3.89Å; V145-F180 HydrophobicContact CB-CZ 4.24Å; V145-F180 HydrophobicContact CG2-CE1 3.87Å; V145-F180 HydrophobicContact CG2-CE2 4.32Å; V145-F180 HydrophobicContact CG2-CZ 3.51Å; V145-I186 HydrophobicContact CG1-CD1 3.91Å; V145-I186 HydrophobicContact CG1-CG2 4.35Å; V145-I186 HydrophobicContact CG2-CG2 4.23Å; V145-F200 HydrophobicContact CG1-CE2 4.46Å; V145-F200 HydrophobicContact CG1-CZ 4Å; V145-F200 HydrophobicContact CG2-CE2 3.63Å; V145-F200 HydrophobicContact CG2-CZ 3.82Å
146T98.8Very high97.5Very high0 Ų022.8 Ų22.80%012%0.121CC..EExtended strand (participates in β ladder)trans-131.5151.2177.875.70000112.3V97 H119 G136 V137 I144 I153 N154 F156V97-T146 HydrophobicContact CG1-CG2 4.06Å; V97-T146 HydrophobicContact CG2-CG2 3.83Å; H119-T146 PolarHBondContact NE2-OG1 3.26Å; G136-T146 VanDerWaalsContact O-CA 3.29Å; G136-T146 WeakPolarHBondContact O-CA 3.47Å; V137-T146 HydrophobicContact CB-CG2 4.2Å; I144-T146 HydrophobicContact CG2-CG2 4.07Å; T146-I153 WeakPolarHBondContact O-CA 3.35Å; T146-N154 PolarHBondContact N-O 2.83Å; T146-N154 PolarHBondContact O-N 2.96Å; T146-F156 HydrophobicContact CG2-CD2 4.22Å; T146-F156 HydrophobicContact CG2-CE2 4.17Å
147V98.9Very high97.4Very high0 Ų027.6 Ų27.60%014%0.139CC..EExtended strand (participates in β ladder)trans-132.4157.3175.5-62.70000110.3C134 T135 G136 I153 L175 V178 T188C134-V147 CarbonylContact C-O 3.59Å; T135-V147 PolarHBondContact N-O 2.73Å; T135-V147 PolarHBondContact OG1-O 3Å; G136-V147 PolarHBondContact N-O 2.98Å; G136-V147 PolarHBondContact O-N 2.83Å; V147-I153 HydrophobicContact CG1-CG1 4.12Å; V147-I153 HydrophobicContact CG1-CG2 4.27Å; V147-L175 HydrophobicContact CB-CB 3.9Å; V147-L175 HydrophobicContact CB-CD1 3.93Å; V147-L175 HydrophobicContact CG1-CD1 4.01Å; V147-L175 HydrophobicContact CG2-CB 4.21Å; V147-V178 HydrophobicContact CG1-CB 3.82Å; V147-V178 HydrophobicContact CG1-CG1 4.08Å; V147-V178 HydrophobicContact CG1-CG2 4.2Å; V147-V178 HydrophobicContact CG2-CB 4.04Å; V147-V178 HydrophobicContact CG2-CG1 3.89Å; V147-T188 HydrophobicContact CG1-CG2 3.89Å
148G98.4Very high96.8Very high0 Ų028.1 Ų28.10%014%0.143CC..EExtended strand (participates in β ladder)trans-155.4177-178.300000114.2H119 P133 T135 D150 G151H119-G148 PolarHBondContact CE1-N 3.39Å; H119-G148 VanDerWaalsContact CE1-N 3.32Å; P133-G148 WeakPolarHBondContact O-CA 3.4Å; T135-G148 WeakPolarHBondContact OG1-CA 3.39Å; G148-D150 PolarHBondContact O-N 3.17Å; G148-G151 PolarHBondContact O-N 2.94Å; G148-G151 VanDerWaalsContact O-N 3.11Å
149E97.9Very high96.2Very high83 Ų8333.2 Ų33.239%0.38817%0.17SC..THydrogen-bonded Turntrans-69.1-15.1-178.9-53.1-164.5158.500113.7P133 T135 G151 T174P133-E149 HydrophobicContact CB-CG 3.98Å; P133-E149 WeakPolarHBondContact CD-OE2 3.34Å; P133-E149 HydrophobicContact CG-CG 4.05Å; P133-E149 PolarHBondContact O-N 3.01Å; T135-E149 HydrophobicContact CG2-CG 3.74Å; E149-G151 PolarHBondContact O-N 3.12Å; E149-T174 HydrophobicContact CB-CG2 4.19Å; E149-T174 HydrophobicContact CG-CG2 3.81Å
150D96.8Very high96.1Very high19 Ų1935.3 Ų35.310%0.10218%0.176CC..THydrogen-bonded Turntrans-76.8-0172.263.2-4.5000113.9H119 Y120 A132 G148 R152H119-D150 WeakPolarHBondContact CA-OD2 3.26Å; H119-D150 IonicContact CE1-OD1 2.77Å; H119-D150 IonicContact CG-OD1 3.62Å; H119-D150 IonicContact CG-OD2 3.99Å; H119-D150 IonicContact ND1-OD1 3.89Å; H119-D150 PolarHBondContact ND1-OD1 2.94Å; H119-D150 IonicContact ND1-OD2 3.96Å; Y120-D150 PolarHBondContact N-OD2 2.99Å; A132-D150 HydrophobicContact CB-CB 3.72Å; G148-D150 PolarHBondContact O-N 3.17Å; D150-R152 HydrophobicContact CB-CG 4.46Å; D150-R152 PolarHBondContact O-N 3.31Å; D150-R152 WeakPolarHBondContact OD1-CB 3.21Å; D150-R152 PolarHBondContact OD1-N 3.37Å; D150-R152 VanDerWaalsContact OD1-N 3.12Å; D150-R152 WeakPolarHBondContact OD2-CD 3.45Å; D150-R152 WeakPolarHBondContact OD2-CG 3.5Å; D150-R152 IonicContact OD2-NE 3.85Å; D150-R152 PolarHBondContact OD2-NE 3.49Å
151G96.7Very high95.9Very high1 Ų140.4 Ų40.41%0.0120%0.195CC..  trans69.317-179.600000113.1G148 E149 A170 D171G148-G151 PolarHBondContact O-N 2.94Å; G148-G151 VanDerWaalsContact O-N 3.11Å; E149-G151 PolarHBondContact O-N 3.12Å; G151-A170 WeakPolarHBondContact O-CB 3.46Å; G151-A170 PolarHBondContact O-N 2.78Å; G151-D171 WeakPolarHBondContact CA-O 3.26Å; G151-D171 PolarHBondContact O-N 3.19Å
152R97.4Very high96Very high44 Ų4443.5 Ų43.517%0.16621%0.206CC..  trans-85.3146.9173-65.6-177.6-172-108.7-14111Y120 D150 D168Y120-R152 VanDerWaalsContact CZ-NH2 3.34Å; Y120-R152 PolarHBondContact OH-NH2 2.84Å; D150-R152 HydrophobicContact CB-CG 4.46Å; D150-R152 PolarHBondContact O-N 3.31Å; D150-R152 WeakPolarHBondContact OD1-CB 3.21Å; D150-R152 PolarHBondContact OD1-N 3.37Å; D150-R152 VanDerWaalsContact OD1-N 3.12Å; D150-R152 WeakPolarHBondContact OD2-CD 3.45Å; D150-R152 WeakPolarHBondContact OD2-CG 3.5Å; D150-R152 IonicContact OD2-NE 3.85Å; D150-R152 PolarHBondContact OD2-NE 3.49Å; R152-D168 IonicContact CZ-OD1 3.65Å; R152-D168 IonicContact NE-OD1 2.77Å; R152-D168 IonicContact NH1-OD1 3.49Å; R152-D168 PolarHBondContact NH1-OD1 2.84Å; R152-D168 IonicContact NH2-OD1 3.5Å
153I98.4Very high96Very high0 Ų042.2 Ų42.20%020%0.2CC..EExtended strand (participates in β ladder)trans-119.9120.5165.2-52.1177.2000107.8V145 T146 V147 T166 I167 A170 L175 I186 T188 W198 F200V145-I153 HydrophobicContact CG1-CG2 4.26Å; T146-I153 WeakPolarHBondContact O-CA 3.35Å; V147-I153 HydrophobicContact CG1-CG1 4.12Å; V147-I153 HydrophobicContact CG1-CG2 4.27Å; I153-T166 CarbonylContact O-C 3.51Å; I153-T166 WeakPolarHBondContact O-CA 3.3Å; I153-I167 HydrophobicContact CB-CB 4.24Å; I153-I167 PolarHBondContact N-O 2.95Å; I153-I167 VanDerWaalsContact N-O 3.14Å; I153-I167 PolarHBondContact O-N 2.85Å; I153-A170 HydrophobicContact CD1-CB 3.72Å; I153-A170 HydrophobicContact CG1-CB 3.78Å; I153-L175 HydrophobicContact CD1-CD1 4.38Å; I153-L175 HydrophobicContact CG1-CD1 3.81Å; I153-I186 HydrophobicContact CD1-CD1 4.44Å; I153-I186 HydrophobicContact CG2-CD1 3.51Å; I153-T188 HydrophobicContact CD1-CG2 3.9Å; I153-W198 HydrophobicContact CD1-CD2 3.59Å; I153-W198 VanDerWaalsContact CD1-CE2 3.45Å; I153-W198 HydrophobicContact CD1-CE3 4.23Å; I153-W198 HydrophobicContact CD1-CG 3.74Å; I153-W198 HydrophobicContact CD1-CZ2 4.03Å; I153-F200 HydrophobicContact CG2-CE1 3.93Å; I153-F200 HydrophobicContact CG2-CZ 3.87Å
154N98.2Very high95.9Very high4 Ų443.9 Ų43.92%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-109.3137.8179.6-63-57.7000110.8A118 H119 V145 T146 F156 T166A118-N154 PolarHBondContact O-ND2 3.25Å; H119-N154 PolarHBondContact CE1-ND2 3.32Å; H119-N154 VanDerWaalsContact CE1-ND2 3.32Å; H119-N154 PolarHBondContact NE2-ND2 2.87Å; V145-N154 VanDerWaalsContact CA-O 3.25Å; V145-N154 WeakPolarHBondContact CA-O 3.49Å; T146-N154 PolarHBondContact N-O 2.83Å; T146-N154 PolarHBondContact O-N 2.96Å; N154-F156 HydrophobicContact CB-CD2 4.1Å; N154-F156 HydrophobicContact CB-CE1 4.43Å; N154-F156 HydrophobicContact CB-CE2 3.46Å; N154-F156 VanDerWaalsContact CB-CE2 3.46Å; N154-F156 HydrophobicContact CB-CZ 3.64Å; N154-T166 WeakPolarHBondContact OD1-CB 3.25Å; N154-T166 WeakPolarHBondContact OD1-CG2 2.96Å; N154-T166 PolarHBondContact OD1-OG1 3.26Å
155L97.8Very high95.8Very high9 Ų946.6 Ų46.65%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-108.8111.9163.4176.465.6000108.1E143 V145 V164 R165 F200E143-L155 HydrophobicContact CB-CD1 3.89Å; E143-L155 HydrophobicContact CG-CD1 4.1Å; V145-L155 HydrophobicContact CG2-CD1 3.75Å; L155-V164 HydrophobicContact CD2-CB 4.3Å; L155-V164 HydrophobicContact CD2-CG1 4.19Å; L155-V164 HydrophobicContact CG-CB 4.23Å; L155-V164 WeakPolarHBondContact O-CA 3.41Å; L155-V164 WeakPolarHBondContact O-CB 3.47Å; L155-V164 PolarHBondContact O-N 3.28Å; L155-R165 HydrophobicContact CB-CB 4.31Å; L155-R165 PolarHBondContact N-O 2.87Å; L155-R165 PolarHBondContact O-N 2.88Å; L155-F200 HydrophobicContact CB-CD1 3.84Å; L155-F200 HydrophobicContact CB-CD2 4.23Å; L155-F200 HydrophobicContact CB-CE1 3.65Å; L155-F200 HydrophobicContact CB-CE2 4.06Å; L155-F200 HydrophobicContact CB-CG 4.13Å; L155-F200 HydrophobicContact CB-CZ 3.76Å; L155-F200 HydrophobicContact CD1-CD2 4.31Å; L155-F200 HydrophobicContact CD1-CE2 4.11Å; L155-F200 HydrophobicContact CD2-CB 4.03Å; L155-F200 HydrophobicContact CD2-CD1 4.3Å; L155-F200 HydrophobicContact CD2-CD2 3.88Å; L155-F200 HydrophobicContact CD2-CE2 4.42Å; L155-F200 HydrophobicContact CD2-CG 3.81Å; L155-F200 HydrophobicContact CG-CD2 4.37Å; L155-F200 HydrophobicContact CG-CE2 4.42Å; L155-F200 HydrophobicContact CG-CG 4.49Å
156F97.9Very high95.7Very high5 Ų548.2 Ų48.22%0.02223%0.233CC..EExtended strand (participates in β ladder)trans-101.2161.1170.3-59.4-70.3000110.6W115 A118 E143 I144 T146 N154 A163W115-F156 HydrophobicContact CB-CE1 4.15Å; W115-F156 HydrophobicContact CB-CZ 4.09Å; W115-F156 AromaticContact CD1-CD1 3.76Å; W115-F156 AromaticContact CD1-CE1 3.52Å; W115-F156 AromaticContact CD2-CD1 3.72Å; W115-F156 HydrophobicContact CD2-CD1 3.72Å; W115-F156 HydrophobicContact CD2-CD2 4.32Å; W115-F156 AromaticContact CD2-CE1 3.88Å; W115-F156 HydrophobicContact CD2-CE1 3.88Å; W115-F156 HydrophobicContact CD2-CE2 4.45Å; W115-F156 AromaticContact CD2-CG 3.97Å; W115-F156 HydrophobicContact CD2-CG 3.97Å; W115-F156 HydrophobicContact CD2-CZ 4.25Å; W115-F156 AromaticContact CE2-CD1 3.4Å; W115-F156 AromaticContact CE2-CE1 3.95Å; W115-F156 AromaticContact CE2-CG 3.77Å; W115-F156 HydrophobicContact CE3-CD1 4.42Å; W115-F156 HydrophobicContact CE3-CD2 4.27Å; W115-F156 HydrophobicContact CE3-CG 4.22Å; W115-F156 AromaticContact CG-CD1 3.92Å; W115-F156 HydrophobicContact CG-CD1 3.92Å; W115-F156 AromaticContact CG-CE1 3.6Å; W115-F156 HydrophobicContact CG-CE1 3.6Å; W115-F156 AromaticContact CG-CZ 3.96Å; W115-F156 HydrophobicContact CG-CZ 3.96Å; W115-F156 HydrophobicContact CH2-CB 3.74Å; W115-F156 HydrophobicContact CH2-CG 4.12Å; W115-F156 HydrophobicContact CZ2-CB 3.59Å; W115-F156 AromaticContact CZ2-CD1 3.85Å; W115-F156 HydrophobicContact CZ2-CD1 3.85Å; W115-F156 AromaticContact CZ2-CG 3.84Å; W115-F156 HydrophobicContact CZ2-CG 3.84Å; W115-F156 HydrophobicContact CZ3-CB 4.29Å; W115-F156 HydrophobicContact CZ3-CD2 4.47Å; W115-F156 HydrophobicContact CZ3-CG 4.3Å; W115-F156 AromaticContact NE1-CD1 3.44Å; W115-F156 AromaticContact NE1-CE1 3.74Å; A118-F156 HydrophobicContact CB-CE2 4.13Å; A118-F156 HydrophobicContact CB-CZ 3.81Å; E143-F156 WeakPolarHBondContact CA-O 3.37Å; I144-F156 HydrophobicContact CB-CB 4.21Å; I144-F156 PolarHBondContact N-O 3.32Å; I144-F156 PolarHBondContact O-N 3.31Å; T146-F156 HydrophobicContact CG2-CD2 4.22Å; T146-F156 HydrophobicContact CG2-CE2 4.17Å; N154-F156 HydrophobicContact CB-CD2 4.1Å; N154-F156 HydrophobicContact CB-CE1 4.43Å; N154-F156 HydrophobicContact CB-CE2 3.46Å; N154-F156 VanDerWaalsContact CB-CE2 3.46Å; N154-F156 HydrophobicContact CB-CZ 3.64Å; F156-A163 HydrophobicContact CD1-CB 3.91Å; F156-A163 HydrophobicContact CE1-CB 3.61Å; F156-A163 HydrophobicContact CZ-CB 4.44Å
157R95.3Very high95.6Very high102 Ų10248.2 Ų48.239%0.38523%0.233SC..EExtended strand (participates in β ladder)trans-124.4144163.5-83.9179.263.9-172.1-2.9108.7P142 E143 D159 H160 V164P142-R157 WeakPolarHBondContact O-CA 3.37Å; E143-R157 HydrophobicContact CG-CG 4.38Å; R157-D159 PolarHBondContact O-N 2.87Å; R157-H160 HydrophobicContact CB-CB 4.27Å; R157-H160 WeakPolarHBondContact O-CB 3.39Å; R157-H160 PolarHBondContact O-N 2.83Å; R157-H160 VanDerWaalsContact O-N 3.16Å; R157-V164 HydrophobicContact CB-CG2 3.88Å; R157-V164 HydrophobicContact CG-CG2 3.73Å
158A86.1Confident95.3Very high11 Ų1151 Ų519%0.09125%0.248CC..THydrogen-bonded Turntrans-52.4140.9168.100000109.6F83 P142 H160F83-A158 HydrophobicContact CE1-CB 3.94Å; F83-A158 HydrophobicContact CZ-CB 3.78Å; P142-A158 PolarHBondContact O-N 2.81Å; P142-A158 VanDerWaalsContact O-N 3.15Å; A158-H160 PolarHBondContact O-N 2.79Å
159D87.4Confident95Very high129 Ų12957.5 Ų57.569%0.6928%0.282SS*.THydrogen-bonded Turntrans73.4-4.9-179.5-41.7-48000115.6R157R157-D159 PolarHBondContact O-N 2.87Å
160H93.7Very high94.9Very high77 Ų7753.9 Ų53.936%0.35627%0.267SS..  trans-95.2121.5175.3-73.7-148.2000110.9Q113 W115 R157 A158 E162Q113-H160 PolarHBondContact NE2-O 3.46Å; W115-H160 PolarHBondContact NE1-O 3.19Å; R157-H160 HydrophobicContact CB-CB 4.27Å; R157-H160 WeakPolarHBondContact O-CB 3.39Å; R157-H160 PolarHBondContact O-N 2.83Å; R157-H160 VanDerWaalsContact O-N 3.16Å; A158-H160 PolarHBondContact O-N 2.79Å; H160-E162 VanDerWaalsContact C-N 3.33Å; H160-E162 PolarHBondContact O-N 3.31Å
161K92.8Very high94.8Very high181 Ų18153.4 Ų53.479%0.78726%0.264SS*.SBendtrans-65.6-33.9-178.9-68.6-172.3177.3-175.40114W115W115-K161 PolarHBondContact NE1-O 2.77Å; W115-K161 VanDerWaalsContact NE1-O 3.1Å
162E94.4Very high94.6Very high155 Ų15559.4 Ų59.472%0.72431%0.306SS*.SBendtrans-107.1158.4-179.1-61.5-62.3156.300110.3H160 V164H160-E162 VanDerWaalsContact C-N 3.33Å; H160-E162 PolarHBondContact O-N 3.31Å; E162-V164 PolarHBondContact O-N 2.82Å
163A95.1Very high94.5Very high30 Ų3058.3 Ų58.325%0.24831%0.305CS..  trans-56.1135.8169.300000110.3F156 R165 T166F156-A163 HydrophobicContact CD1-CB 3.91Å; F156-A163 HydrophobicContact CE1-CB 3.61Å; F156-A163 HydrophobicContact CZ-CB 4.44Å; A163-R165 VanDerWaalsContact C-N 3.27Å; A163-T166 WeakPolarHBondContact CB-OG1 3.44Å
164V95.3Very high94.5Very high70 Ų7060.2 Ų60.242%0.42432%0.317SS..SBendtrans-65.3-40170.2177.90000109.4L155 R157 E162L155-V164 HydrophobicContact CD2-CB 4.3Å; L155-V164 HydrophobicContact CD2-CG1 4.19Å; L155-V164 HydrophobicContact CG-CB 4.23Å; L155-V164 WeakPolarHBondContact O-CA 3.41Å; L155-V164 WeakPolarHBondContact O-CB 3.47Å; L155-V164 PolarHBondContact O-N 3.28Å; R157-V164 HydrophobicContact CB-CG2 3.88Å; R157-V164 HydrophobicContact CG-CG2 3.73Å; E162-V164 PolarHBondContact O-N 2.82Å
165R95.4Very high94.5Very high58 Ų5860 Ų6022%0.21932%0.316CS..EExtended strand (participates in β ladder)trans-151.8139.6173.9-178.363.5-173.6-87.4-1.1109.9L155 A163 F200 Q202L155-R165 HydrophobicContact CB-CB 4.31Å; L155-R165 PolarHBondContact N-O 2.87Å; L155-R165 PolarHBondContact O-N 2.88Å; A163-R165 VanDerWaalsContact C-N 3.27Å; R165-F200 HydrophobicContact CB-CD1 4.23Å; R165-F200 HydrophobicContact CG-CD1 4.06Å; R165-F200 PolarHBondContact NH1-O 2.88Å; R165-Q202 PolarHBondContact NH1-O 2.6Å; R165-Q202 PolarHBondContact NH2-O 3.24Å
166T96.3Very high94.5Very high34 Ų3461.6 Ų61.621%0.20932%0.323CS..EExtended strand (participates in β ladder)trans-118.5136.3164.9-60.40000108.5I153 N154 A163 D168I153-T166 CarbonylContact O-C 3.51Å; I153-T166 WeakPolarHBondContact O-CA 3.3Å; N154-T166 WeakPolarHBondContact OD1-CB 3.25Å; N154-T166 WeakPolarHBondContact OD1-CG2 2.96Å; N154-T166 PolarHBondContact OD1-OG1 3.26Å; A163-T166 WeakPolarHBondContact CB-OG1 3.44Å; T166-D168 WeakPolarHBondContact CG2-OD1 3.18Å
167I96.8Very high94.6Very high1 Ų162 Ų621%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-103.298.9167-51.3179.3000106.1I153 A170 W198 F200 N205I153-I167 HydrophobicContact CB-CB 4.24Å; I153-I167 PolarHBondContact N-O 2.95Å; I153-I167 VanDerWaalsContact N-O 3.14Å; I153-I167 PolarHBondContact O-N 2.85Å; I167-A170 HydrophobicContact CB-CB 4.24Å; I167-A170 HydrophobicContact CG2-CB 3.72Å; I167-W198 HydrophobicContact CD1-CB 4.38Å; I167-W198 HydrophobicContact CD1-CE3 4.18Å; I167-W198 HydrophobicContact CG2-CZ3 4.39Å; I167-F200 HydrophobicContact CD1-CD1 4.19Å; I167-F200 HydrophobicContact CD1-CE1 4.22Å; I167-F200 HydrophobicContact CG1-CD1 4.47Å; I167-F200 HydrophobicContact CG1-CE1 4.49Å; I167-N205 HydrophobicContact CG2-CB 3.74Å
168D94.1Very high94.7Very high57 Ų5757.5 Ų57.531%0.30531%0.311SS..THydrogen-bonded Turntrans-77.4141.2-179.3-67-68000111.5R152 T166 A170 N205R152-D168 IonicContact CZ-OD1 3.65Å; R152-D168 IonicContact NE-OD1 2.77Å; R152-D168 IonicContact NH1-OD1 3.49Å; R152-D168 PolarHBondContact NH1-OD1 2.84Å; R152-D168 IonicContact NH2-OD1 3.5Å; T166-D168 WeakPolarHBondContact CG2-OD1 3.18Å; D168-A170 PolarHBondContact O-N 2.94Å; D168-N205 PolarHBondContact O-ND2 3.44Å
169N92.3Very high95.3Very high137 Ų13757.6 Ų57.673%0.73331%0.311SS*.THydrogen-bonded Turntrans50.140-178.3-49.1-63.1000112D171N169-D171 PolarHBondContact O-N 2.95Å
170A94.9Very high95.8Very high7 Ų752.5 Ų52.56%0.05828%0.282CS..  trans-62.1-36.8178.100000110.3G151 I153 I167 D168 W198G151-A170 WeakPolarHBondContact O-CB 3.46Å; G151-A170 PolarHBondContact O-N 2.78Å; I153-A170 HydrophobicContact CD1-CB 3.72Å; I153-A170 HydrophobicContact CG1-CB 3.78Å; I167-A170 HydrophobicContact CB-CB 4.24Å; I167-A170 HydrophobicContact CG2-CB 3.72Å; D168-A170 PolarHBondContact O-N 2.94Å; A170-W198 HydrophobicContact CB-CH2 3.73Å; A170-W198 HydrophobicContact CB-CZ2 4.07Å; A170-W198 HydrophobicContact CB-CZ3 4Å; A170-W198 WeakPolarHBondContact O-CH2 3.15Å
171D94.8Very high95.9Very high9 Ų949.3 Ų49.35%0.04827%0.268CS..  trans-133.1141.1175-149.7-31.6000111.5G151 N169 S173 L175 N190 K196G151-D171 WeakPolarHBondContact CA-O 3.26Å; G151-D171 PolarHBondContact O-N 3.19Å; N169-D171 PolarHBondContact O-N 2.95Å; D171-S173 VanDerWaalsContact C-N 3.29Å; D171-S173 WeakPolarHBondContact CB-O 3.48Å; D171-S173 PolarHBondContact OD1-N 3.41Å; D171-L175 HydrophobicContact CB-CD1 4.48Å; D171-L175 HydrophobicContact CB-CD2 3.67Å; D171-L175 HydrophobicContact CB-CG 4.02Å; D171-N190 PolarHBondContact OD2-ND2 3.25Å; D171-K196 IonicContact OD1-NZ 2.68Å; D171-K196 PolarHBondContact OD1-NZ 2.93Å; D171-K196 WeakPolarHBondContact OD2-CD 3.26Å; D171-K196 VanDerWaalsContact OD2-CE 3.28Å; D171-K196 WeakPolarHBondContact OD2-CE 3.4Å; D171-K196 IonicContact OD2-NZ 3.78Å; D171-K196 PolarHBondContact OD2-NZ 3.1Å
172S92.9Very high95.8Very high127 Ų12747.4 Ų47.489%0.88826%0.256SS*.SBendtrans-81.6-15.3170.257.80000112.3
173S95Very high95.5Very high21 Ų2142.5 Ų42.515%0.14724%0.236CC..SBendtrans-101.6151.5174.8-69.10000110.2D171 L175D171-S173 VanDerWaalsContact C-N 3.29Å; D171-S173 WeakPolarHBondContact CB-O 3.48Å; D171-S173 PolarHBondContact OD1-N 3.41Å; S173-L175 PolarHBondContact O-N 3.12Å
174T97.4Very high95.3Very high40 Ų4042.1 Ų42.125%0.24523%0.231CC..PPolyproline II helixtrans-53.8124.3174.5-56.50000110.8E149 N190 S191E149-T174 HydrophobicContact CB-CG2 4.19Å; E149-T174 HydrophobicContact CG-CG2 3.81Å; T174-N190 CarbonylContact O-C 3.57Å; T174-N190 WeakPolarHBondContact O-CA 3.27Å; T174-N190 VanDerWaalsContact O-CB 3.27Å; T174-N190 WeakPolarHBondContact O-CB 3.46Å; T174-S191 PolarHBondContact N-OG 3.19Å; T174-S191 PolarHBondContact O-N 2.96Å
175L98.6Very high95.3Very high0 Ų041.7 Ų41.70%023%0.225CC..EExtended strand (participates in β ladder)trans-80.3128.3169-63.6175.8000108.1T135 V147 I153 D171 S173 N190T135-L175 WeakPolarHBondContact CB-O 3.28Å; T135-L175 PolarHBondContact OG1-O 2.92Å; V147-L175 HydrophobicContact CB-CB 3.9Å; V147-L175 HydrophobicContact CB-CD1 3.93Å; V147-L175 HydrophobicContact CG1-CD1 4.01Å; V147-L175 HydrophobicContact CG2-CB 4.21Å; I153-L175 HydrophobicContact CD1-CD1 4.38Å; I153-L175 HydrophobicContact CG1-CD1 3.81Å; D171-L175 HydrophobicContact CB-CD1 4.48Å; D171-L175 HydrophobicContact CB-CD2 3.67Å; D171-L175 HydrophobicContact CB-CG 4.02Å; S173-L175 PolarHBondContact O-N 3.12Å; L175-N190 HydrophobicContact CD2-CB 4.18Å
176H98.7Very high95.5Very high42 Ų4238.9 Ų38.919%0.19421%0.214CC..EExtended strand (participates in β ladder)trans-100.9-42.2-177.7-73.5-50.6000112.7T135 V189 S191 L220 H221T135-H176 CarbonylContact C-O 3.56Å; H176-V189 PolarHBondContact N-O 3.29Å; H176-S191 WeakPolarHBondContact NE2-CA 3.46Å; H176-S191 VanDerWaalsContact NE2-CB 3.3Å; H176-S191 WeakPolarHBondContact NE2-CB 3.19Å; H176-L220 VanDerWaalsContact CB-O 3.28Å; H176-L220 WeakPolarHBondContact CB-O 3.49Å; H176-L220 PolarHBondContact CD2-O 3.25Å; H176-L220 VanDerWaalsContact CD2-O 3.26Å; H176-H221 AromaticContact CD2-ND1 4Å
177A98.8Very high95.6Very high15 Ų1537.3 Ų37.312%0.12420%0.204CC..EExtended strand (participates in β ladder)trans-148.8165.1179.800000112T188 V189 H221 V223A177-T188 WeakPolarHBondContact O-CA 3.4Å; A177-V189 HydrophobicContact CB-CG2 3.69Å; A177-V189 PolarHBondContact O-N 3.15Å; A177-H221 WeakPolarHBondContact CB-O 3.39Å; A177-V223 HydrophobicContact CB-CG1 4.02Å
178V98.8Very high95.7Very high7 Ų737.2 Ų37.24%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-142.3147.4-178.1590000109.8V138 V145 V147 I186 L187 T188V138-V178 HydrophobicContact CG1-CG1 4.31Å; V138-V178 WeakPolarHBondContact CG1-O 3.44Å; V138-V178 HydrophobicContact CG2-CG1 3.96Å; V138-V178 HydrophobicContact CG2-CG2 4.31Å; V145-V178 HydrophobicContact CG1-CG2 3.89Å; V147-V178 HydrophobicContact CG1-CB 3.82Å; V147-V178 HydrophobicContact CG1-CG1 4.08Å; V147-V178 HydrophobicContact CG1-CG2 4.2Å; V147-V178 HydrophobicContact CG2-CB 4.04Å; V147-V178 HydrophobicContact CG2-CG1 3.89Å; V178-I186 HydrophobicContact CG2-CB 4.25Å; V178-I186 HydrophobicContact CG2-CD1 4Å; V178-L187 CarbonylContact C-O 3.49Å; V178-L187 WeakPolarHBondContact CA-O 3.38Å; V178-T188 HydrophobicContact CB-CG2 4.2Å; V178-T188 HydrophobicContact CG2-CG2 3.94Å
179T98.7Very high95.9Very high13 Ų1334.5 Ų34.58%0.0819%0.19CC..EExtended strand (participates in β ladder)trans-139.8153169.2-1680000110.7I186 L187 V223 R225 V233T179-I186 CarbonylContact O-C 3.58Å; T179-I186 VanDerWaalsContact O-CA 3.31Å; T179-I186 WeakPolarHBondContact O-CA 3.28Å; T179-I186 WeakPolarHBondContact O-CB 3.27Å; T179-L187 HydrophobicContact CG2-CB 4.27Å; T179-L187 PolarHBondContact N-O 3.49Å; T179-L187 PolarHBondContact O-N 2.85Å; T179-V223 HydrophobicContact CG2-CG1 4.09Å; T179-V223 HydrophobicContact CG2-CG2 3.87Å; T179-R225 HydrophobicContact CG2-CB 4.27Å; T179-V233 HydrophobicContact CG2-CG1 4.43Å
180F98Very high96.2Very high21 Ų2128 Ų289%0.09216%0.155CC..EExtended strand (participates in β ladder)trans-71.9145.6167.1-77.6-78.5000109.3V138 N140 E143 V145 I186 R225V138-F180 HydrophobicContact CB-CD2 4.12Å; V138-F180 HydrophobicContact CB-CE2 4.16Å; V138-F180 HydrophobicContact CG2-CD2 3.68Å; V138-F180 HydrophobicContact CG2-CE2 3.63Å; V138-F180 HydrophobicContact CG2-CZ 4.48Å; N140-F180 HydrophobicContact CB-CD2 3.96Å; N140-F180 HydrophobicContact CB-CE1 4.43Å; N140-F180 HydrophobicContact CB-CE2 3.58Å; N140-F180 HydrophobicContact CB-CZ 3.83Å; E143-F180 HydrophobicContact CB-CZ 4.4Å; V145-F180 HydrophobicContact CB-CZ 4.24Å; V145-F180 HydrophobicContact CG2-CE1 3.87Å; V145-F180 HydrophobicContact CG2-CE2 4.32Å; V145-F180 HydrophobicContact CG2-CZ 3.51Å; F180-I186 HydrophobicContact CD1-CG2 3.67Å; F180-I186 HydrophobicContact CE1-CG2 3.87Å; F180-I186 HydrophobicContact CG-CG2 4.36Å; F180-R225 WeakPolarHBondContact O-CD 3.48Å
181L95.4Very high96.3Very high10 Ų1029.2 Ų29.25%0.05216%0.163CC..EExtended strand (participates in β ladder)trans-98-67.5163.2-66.2-178.8000109.3E185 L187 I197 R225 V233L181-E185 HydrophobicContact CB-CB 4.48Å; L181-E185 PolarHBondContact N-O 3.21Å; L181-L187 HydrophobicContact CD1-CB 4.08Å; L181-L187 HydrophobicContact CD1-CD1 4.3Å; L181-L187 HydrophobicContact CD2-CB 4.05Å; L181-L187 HydrophobicContact CD2-CD1 4.24Å; L181-L187 HydrophobicContact CG-CB 3.93Å; L181-I197 HydrophobicContact CD1-CD1 3.91Å; L181-I197 HydrophobicContact CD1-CG1 4.13Å; L181-I197 HydrophobicContact CD1-CG2 4.03Å; L181-R225 HydrophobicContact CD2-CG 4.41Å; L181-R225 VanDerWaalsContact O-CD 3.3Å; L181-R225 WeakPolarHBondContact O-CD 3.1Å; L181-R225 PolarHBondContact O-NH1 3.35Å; L181-V233 HydrophobicContact CD2-CG1 3.66Å
182R90.8Very high96.4Very high141 Ų14130.8 Ų30.853%0.53217%0.171SC..EExtended strand (participates in β ladder)trans-144114.9170.1172.8-165.2-69.3-178.2-0.7106.7E185 Q230R182-E185 PolarHBondContact N-O 3.16Å; R182-E185 WeakPolarHBondContact O-CA 3.2Å; R182-E185 VanDerWaalsContact O-CB 3.26Å; R182-E185 WeakPolarHBondContact O-CB 3.32Å; R182-E185 PolarHBondContact O-N 2.92Å; R182-Q230 VanDerWaalsContact CZ-OE1 3.23Å
183T87Confident96.6Very high52 Ų5225.1 Ų25.132%0.31913%0.133SC..THydrogen-bonded Turntrans-46.5128.8178-72.40000112.1N140 E143N140-T183 PolarHBondContact ND2-OG1 3.46Å; E143-T183 WeakPolarHBondContact OE2-CG2 3.46Å
184P91Very high96.7Very high22 Ų2226.2 Ų26.214%0.14314%0.135CC..THydrogen-bonded Turncis-96.622.17.639.3-35.5000114.9F200 R201P184-F200 HydrophobicContact CB-CB 4.43Å; P184-F200 HydrophobicContact CB-CD2 4.39Å; P184-F200 VanDerWaalsContact O-CD2 3.31Å; P184-F200 WeakPolarHBondContact O-CD2 3.32Å; P184-F200 PolarHBondContact O-N 2.92Å; P184-R201 HydrophobicContact CG-CG 3.79Å
185E96.5Very high96.8Very high61 Ų6124.3 Ų24.329%0.28512%0.124SC..EExtended strand (participates in β ladder)trans-83.9133.8174.6-62.3173.3108.700111.5L181 R182 W198 D199L181-E185 HydrophobicContact CB-CB 4.48Å; L181-E185 PolarHBondContact N-O 3.21Å; R182-E185 PolarHBondContact N-O 3.16Å; R182-E185 WeakPolarHBondContact O-CA 3.2Å; R182-E185 VanDerWaalsContact O-CB 3.26Å; R182-E185 WeakPolarHBondContact O-CB 3.32Å; R182-E185 PolarHBondContact O-N 2.92Å; E185-W198 VanDerWaalsContact CA-O 3.27Å; E185-W198 WeakPolarHBondContact CA-O 3.41Å; E185-D199 HydrophobicContact CG-CB 4.2Å
186I98.2Very high96.8Very high0 Ų025.2 Ų25.20%013%0.127CC..EExtended strand (participates in β ladder)trans-127.6164177.462.8163000110.3V145 I153 V178 T179 F180 T188 I197 W198 F200V145-I186 HydrophobicContact CG1-CD1 3.91Å; V145-I186 HydrophobicContact CG1-CG2 4.35Å; V145-I186 HydrophobicContact CG2-CG2 4.23Å; I153-I186 HydrophobicContact CD1-CD1 4.44Å; I153-I186 HydrophobicContact CG2-CD1 3.51Å; V178-I186 HydrophobicContact CG2-CB 4.25Å; V178-I186 HydrophobicContact CG2-CD1 4Å; T179-I186 CarbonylContact O-C 3.58Å; T179-I186 VanDerWaalsContact O-CA 3.31Å; T179-I186 WeakPolarHBondContact O-CA 3.28Å; T179-I186 WeakPolarHBondContact O-CB 3.27Å; F180-I186 HydrophobicContact CD1-CG2 3.67Å; F180-I186 HydrophobicContact CE1-CG2 3.87Å; F180-I186 HydrophobicContact CG-CG2 4.36Å; I186-T188 HydrophobicContact CD1-CG2 4.32Å; I186-I197 WeakPolarHBondContact O-CA 3.35Å; I186-W198 HydrophobicContact CD1-CB 4.15Å; I186-W198 HydrophobicContact CD1-CG 4.4Å; I186-W198 HydrophobicContact CG1-CB 3.74Å; I186-W198 HydrophobicContact CG1-CG 4.28Å; I186-W198 PolarHBondContact N-O 3.26Å; I186-W198 PolarHBondContact O-N 3.24Å; I186-F200 HydrophobicContact CD1-CE2 4.08Å; I186-F200 HydrophobicContact CD1-CZ 3.77Å; I186-F200 HydrophobicContact CG1-CE2 4.29Å; I186-F200 HydrophobicContact CG1-CZ 4.44Å; I186-F200 HydrophobicContact CG2-CE2 3.87Å
187L98.7Very high96.7Very high0 Ų023.5 Ų23.50%012%0.12CC..EExtended strand (participates in β ladder)trans-128.9133.3172.3-175.6152000109.4V178 T179 L181 V189 L195 K196 I197 V223 V233 V247V178-L187 CarbonylContact C-O 3.49Å; V178-L187 WeakPolarHBondContact CA-O 3.38Å; T179-L187 HydrophobicContact CG2-CB 4.27Å; T179-L187 PolarHBondContact N-O 3.49Å; T179-L187 PolarHBondContact O-N 2.85Å; L181-L187 HydrophobicContact CD1-CB 4.08Å; L181-L187 HydrophobicContact CD1-CD1 4.3Å; L181-L187 HydrophobicContact CD2-CB 4.05Å; L181-L187 HydrophobicContact CD2-CD1 4.24Å; L181-L187 HydrophobicContact CG-CB 3.93Å; L187-V189 HydrophobicContact CD2-CG1 4.31Å; L187-L195 HydrophobicContact CD1-CB 4.25Å; L187-L195 HydrophobicContact CD1-CD2 4.1Å; L187-L195 HydrophobicContact CD2-CB 4.05Å; L187-L195 HydrophobicContact CD2-CD2 4.03Å; L187-L195 HydrophobicContact CD2-CG 4.06Å; L187-L195 HydrophobicContact CG-CB 4.3Å; L187-K196 CarbonylContact C-O 3.6Å; L187-K196 VanDerWaalsContact CA-O 3.3Å; L187-K196 WeakPolarHBondContact CA-O 3.26Å; L187-I197 HydrophobicContact CD1-CD1 4.45Å; L187-I197 HydrophobicContact CD1-CG1 4.02Å; L187-I197 HydrophobicContact CG-CG1 4.38Å; L187-V223 HydrophobicContact CD2-CG2 3.85Å; L187-V233 HydrophobicContact CD1-CG1 4.43Å; L187-V233 HydrophobicContact CD1-CG2 4.19Å; L187-V247 HydrophobicContact CD1-CG1 3.88Å
188T98.8Very high96.7Very high0 Ų022.8 Ų22.80%011%0.114CC..EExtended strand (participates in β ladder)trans-115150176.761.70000111.2V147 I153 A177 V178 I186 L195 K196 W198V147-T188 HydrophobicContact CG1-CG2 3.89Å; I153-T188 HydrophobicContact CD1-CG2 3.9Å; A177-T188 WeakPolarHBondContact O-CA 3.4Å; V178-T188 HydrophobicContact CB-CG2 4.2Å; V178-T188 HydrophobicContact CG2-CG2 3.94Å; I186-T188 HydrophobicContact CD1-CG2 4.32Å; T188-L195 CarbonylContact O-C 3.56Å; T188-L195 VanDerWaalsContact O-CA 3.28Å; T188-L195 WeakPolarHBondContact O-CA 3.41Å; T188-K196 PolarHBondContact N-O 2.99Å; T188-K196 PolarHBondContact O-N 2.94Å; T188-W198 PolarHBondContact OG1-NE1 2.97Å
189V98.7Very high96.5Very high0 Ų023.6 Ų23.60%012%0.118CC..EExtended strand (participates in β ladder)trans-115.9150.2169.5-69.20000111.3H176 A177 L187 Q194 L195 L220 V223 T235H176-V189 PolarHBondContact N-O 3.29Å; A177-V189 HydrophobicContact CB-CG2 3.69Å; A177-V189 PolarHBondContact O-N 3.15Å; L187-V189 HydrophobicContact CD2-CG1 4.31Å; V189-Q194 WeakPolarHBondContact CA-O 3.33Å; V189-L195 HydrophobicContact CG1-CD1 4.38Å; V189-L195 HydrophobicContact CG1-CG 3.9Å; V189-L220 HydrophobicContact CB-CB 3.8Å; V189-L220 HydrophobicContact CB-CD1 4.39Å; V189-L220 HydrophobicContact CG1-CB 4.18Å; V189-L220 HydrophobicContact CG1-CD1 4.04Å; V189-L220 HydrophobicContact CG2-CB 4.32Å; V189-V223 HydrophobicContact CG1-CB 3.97Å; V189-V223 HydrophobicContact CG1-CG1 4.27Å; V189-V223 HydrophobicContact CG1-CG2 4.4Å; V189-V223 HydrophobicContact CG2-CB 4.21Å; V189-V223 HydrophobicContact CG2-CG1 4.01Å; V189-T235 HydrophobicContact CG1-CG2 3.93Å
190N98.4Very high96.3Very high1 Ų123.7 Ų23.71%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-134.8174.6-172.775.810.9000114.3D171 T174 L175 I192 G193 Q194 L220D171-N190 PolarHBondContact OD2-ND2 3.25Å; T174-N190 CarbonylContact O-C 3.57Å; T174-N190 WeakPolarHBondContact O-CA 3.27Å; T174-N190 VanDerWaalsContact O-CB 3.27Å; T174-N190 WeakPolarHBondContact O-CB 3.46Å; L175-N190 HydrophobicContact CD2-CB 4.18Å; N190-I192 PolarHBondContact O-N 3.29Å; N190-I192 WeakPolarHBondContact OD1-CG1 3.2Å; N190-I192 PolarHBondContact OD1-N 3.41Å; N190-I192 VanDerWaalsContact OD1-N 3.12Å; N190-G193 PolarHBondContact O-N 3.26Å; N190-G193 PolarHBondContact OD1-N 2.9Å; N190-Q194 PolarHBondContact N-O 3.06Å; N190-Q194 PolarHBondContact ND2-OE1 3.46Å; N190-Q194 WeakPolarHBondContact OD1-CB 3.17Å; N190-Q194 PolarHBondContact OD1-N 3.12Å; N190-L220 PolarHBondContact O-N 3.05Å; N190-L220 VanDerWaalsContact O-N 3.16Å
191S97.8Very high96.1Very high32 Ų3230 Ų3022%0.22414%0.141CC..THydrogen-bonded Turntrans-68.7-0.7-176.464.30000115.9T174 H176 P219T174-S191 PolarHBondContact N-OG 3.19Å; T174-S191 PolarHBondContact O-N 2.96Å; H176-S191 WeakPolarHBondContact NE2-CA 3.46Å; H176-S191 VanDerWaalsContact NE2-CB 3.3Å; H176-S191 WeakPolarHBondContact NE2-CB 3.19Å; S191-P219 WeakPolarHBondContact O-CG 3.34Å
192I96.8Very high95.8Very high42 Ų4231.3 Ų31.322%0.21515%0.146CC..THydrogen-bonded Turntrans-121.214.6178.361.7163.9000112.9N190 Q194 R217N190-I192 PolarHBondContact O-N 3.29Å; N190-I192 WeakPolarHBondContact OD1-CG1 3.2Å; N190-I192 PolarHBondContact OD1-N 3.41Å; N190-I192 VanDerWaalsContact OD1-N 3.12Å; I192-Q194 HydrophobicContact CD1-CG 4.13Å; I192-Q194 HydrophobicContact CG1-CG 4.04Å; I192-R217 HydrophobicContact CB-CB 4.29Å
193G97Very high95.4Very high8 Ų833 Ų338%0.08216%0.16CC..SBendtrans79.827.4172.700000114.9N190 S212 V218N190-G193 PolarHBondContact O-N 3.26Å; N190-G193 PolarHBondContact OD1-N 2.9Å; G193-S212 WeakPolarHBondContact O-CA 3.5Å; G193-S212 WeakPolarHBondContact O-CB 3.31Å; G193-V218 WeakPolarHBondContact CA-O 3.5Å; G193-V218 PolarHBondContact N-O 2.86Å; G193-V218 VanDerWaalsContact N-O 3.15Å
194Q97.6Very high95.5Very high44 Ų4432.5 Ų32.521%0.20617%0.165CC..EExtended strand (participates in β ladder)trans-104.2139176.9-60.7-179.7-34.800111.6V189 N190 I192 I210 L211V189-Q194 WeakPolarHBondContact CA-O 3.33Å; N190-Q194 PolarHBondContact N-O 3.06Å; N190-Q194 PolarHBondContact ND2-OE1 3.46Å; N190-Q194 WeakPolarHBondContact OD1-CB 3.17Å; N190-Q194 PolarHBondContact OD1-N 3.12Å; I192-Q194 HydrophobicContact CD1-CG 4.13Å; I192-Q194 HydrophobicContact CG1-CG 4.04Å; Q194-I210 HydrophobicContact CB-CG2 4.26Å; Q194-I210 HydrophobicContact CG-CG2 4.32Å; Q194-L211 CarbonylContact C-O 3.57Å; Q194-L211 WeakPolarHBondContact CA-O 3.25Å
195L98.4Very high95.6Very high0 Ų034.3 Ų34.30%017%0.174CC..EExtended strand (participates in β ladder)trans-97.9127.6162.6-67.471.2000107.2L187 T188 V189 I210 L211 L220 V233 T235 W245L187-L195 HydrophobicContact CD1-CB 4.25Å; L187-L195 HydrophobicContact CD1-CD2 4.1Å; L187-L195 HydrophobicContact CD2-CB 4.05Å; L187-L195 HydrophobicContact CD2-CD2 4.03Å; L187-L195 HydrophobicContact CD2-CG 4.06Å; L187-L195 HydrophobicContact CG-CB 4.3Å; T188-L195 CarbonylContact O-C 3.56Å; T188-L195 VanDerWaalsContact O-CA 3.28Å; T188-L195 WeakPolarHBondContact O-CA 3.41Å; V189-L195 HydrophobicContact CG1-CD1 4.38Å; V189-L195 HydrophobicContact CG1-CG 3.9Å; L195-I210 CarbonylContact O-C 3.52Å; L195-I210 WeakPolarHBondContact O-CA 3.17Å; L195-L211 HydrophobicContact CB-CB 4.18Å; L195-L211 HydrophobicContact CB-CD1 4.26Å; L195-L211 PolarHBondContact N-O 2.79Å; L195-L211 PolarHBondContact O-N 3.07Å; L195-L220 HydrophobicContact CD1-CD1 3.46Å; L195-L220 VanDerWaalsContact CD1-CD1 3.46Å; L195-L220 HydrophobicContact CG-CD1 4.47Å; L195-V233 HydrophobicContact CD2-CG2 3.84Å; L195-T235 HydrophobicContact CD1-CG2 4.4Å; L195-T235 HydrophobicContact CD2-CG2 4.02Å; L195-T235 HydrophobicContact CG-CG2 4.31Å; L195-W245 HydrophobicContact CD1-CD2 4.1Å; L195-W245 HydrophobicContact CD1-CE3 4.39Å; L195-W245 HydrophobicContact CD1-CH2 3.88Å; L195-W245 HydrophobicContact CD1-CZ2 3.53Å; L195-W245 HydrophobicContact CD1-CZ3 4.28Å; L195-W245 HydrophobicContact CD2-CB 4.32Å; L195-W245 HydrophobicContact CD2-CD2 3.74Å; L195-W245 HydrophobicContact CD2-CE3 4.32Å; L195-W245 HydrophobicContact CD2-CG 3.71Å
196K98.2Very high95.5Very high18 Ų1838.5 Ų38.58%0.07819%0.193CC..EExtended strand (participates in β ladder)trans-122.8131178.2-67.4-175.3175.5171.20110.6D171 L187 T188 W198 P207 Q209 I210D171-K196 IonicContact OD1-NZ 2.68Å; D171-K196 PolarHBondContact OD1-NZ 2.93Å; D171-K196 WeakPolarHBondContact OD2-CD 3.26Å; D171-K196 VanDerWaalsContact OD2-CE 3.28Å; D171-K196 WeakPolarHBondContact OD2-CE 3.4Å; D171-K196 IonicContact OD2-NZ 3.78Å; D171-K196 PolarHBondContact OD2-NZ 3.1Å; L187-K196 CarbonylContact C-O 3.6Å; L187-K196 VanDerWaalsContact CA-O 3.3Å; L187-K196 WeakPolarHBondContact CA-O 3.26Å; T188-K196 PolarHBondContact N-O 2.99Å; T188-K196 PolarHBondContact O-N 2.94Å; K196-W198 HydrophobicContact CB-CZ2 3.76Å; K196-W198 HydrophobicContact CD-CH2 4.33Å; K196-W198 HydrophobicContact CD-CZ2 3.65Å; K196-W198 HydrophobicContact CG-CZ2 4.35Å; K196-W198 VanDerWaalsContact O-CD1 3.25Å; K196-W198 PolarHBondContact O-NE1 3.38Å; K196-P207 HydrophobicContact CB-CB 3.91Å; K196-P207 HydrophobicContact CD-CB 4.27Å; K196-P207 HydrophobicContact CD-CG 4.07Å; K196-P207 HydrophobicContact CG-CB 4.24Å; K196-P207 HydrophobicContact CG-CG 4.36Å; K196-Q209 WeakPolarHBondContact CA-O 3.36Å; K196-I210 HydrophobicContact CG-CG1 4.25Å; K196-I210 HydrophobicContact CG-CG2 4.44Å
197I98.1Very high95.4Very high7 Ų739.7 Ų39.74%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-98.9131.8179.3-57-177.5000109.9L181 I186 L187 P207 S208 Q209 L211 V247L181-I197 HydrophobicContact CD1-CD1 3.91Å; L181-I197 HydrophobicContact CD1-CG1 4.13Å; L181-I197 HydrophobicContact CD1-CG2 4.03Å; I186-I197 WeakPolarHBondContact O-CA 3.35Å; L187-I197 HydrophobicContact CD1-CD1 4.45Å; L187-I197 HydrophobicContact CD1-CG1 4.02Å; L187-I197 HydrophobicContact CG-CG1 4.38Å; I197-P207 CarbonylContact O-C 3.59Å; I197-P207 WeakPolarHBondContact O-CA 3.38Å; I197-S208 WeakPolarHBondContact CB-OG 3.46Å; I197-S208 WeakPolarHBondContact CG2-OG 3.46Å; I197-S208 PolarHBondContact O-N 2.73Å; I197-S208 PolarHBondContact O-OG 2.83Å; I197-Q209 HydrophobicContact CB-CB 4.28Å; I197-Q209 HydrophobicContact CD1-CB 4.12Å; I197-Q209 HydrophobicContact CG1-CB 4.33Å; I197-Q209 PolarHBondContact N-O 2.79Å; I197-L211 HydrophobicContact CD1-CD1 4.28Å; I197-L211 HydrophobicContact CG1-CD1 4.47Å; I197-V247 HydrophobicContact CD1-CB 3.89Å; I197-V247 HydrophobicContact CD1-CG1 4.03Å; I197-V247 HydrophobicContact CD1-CG2 4.4Å
198W97.9Very high95.2Very high0 Ų043.1 Ų43.10%023%0.225CC..EExtended strand (participates in β ladder)trans-128.4146.7-177.6-46.886.7000110.6I153 I167 A170 E185 I186 T188 K196 N205 P207I153-W198 HydrophobicContact CD1-CD2 3.59Å; I153-W198 VanDerWaalsContact CD1-CE2 3.45Å; I153-W198 HydrophobicContact CD1-CE3 4.23Å; I153-W198 HydrophobicContact CD1-CG 3.74Å; I153-W198 HydrophobicContact CD1-CZ2 4.03Å; I167-W198 HydrophobicContact CD1-CB 4.38Å; I167-W198 HydrophobicContact CD1-CE3 4.18Å; I167-W198 HydrophobicContact CG2-CZ3 4.39Å; A170-W198 HydrophobicContact CB-CH2 3.73Å; A170-W198 HydrophobicContact CB-CZ2 4.07Å; A170-W198 HydrophobicContact CB-CZ3 4Å; A170-W198 WeakPolarHBondContact O-CH2 3.15Å; E185-W198 VanDerWaalsContact CA-O 3.27Å; E185-W198 WeakPolarHBondContact CA-O 3.41Å; I186-W198 HydrophobicContact CD1-CB 4.15Å; I186-W198 HydrophobicContact CD1-CG 4.4Å; I186-W198 HydrophobicContact CG1-CB 3.74Å; I186-W198 HydrophobicContact CG1-CG 4.28Å; I186-W198 PolarHBondContact N-O 3.26Å; I186-W198 PolarHBondContact O-N 3.24Å; T188-W198 PolarHBondContact OG1-NE1 2.97Å; K196-W198 HydrophobicContact CB-CZ2 3.76Å; K196-W198 HydrophobicContact CD-CH2 4.33Å; K196-W198 HydrophobicContact CD-CZ2 3.65Å; K196-W198 HydrophobicContact CG-CZ2 4.35Å; K196-W198 VanDerWaalsContact O-CD1 3.25Å; K196-W198 PolarHBondContact O-NE1 3.38Å; W198-N205 WeakPolarHBondContact CZ3-O 3.26Å; W198-P207 HydrophobicContact CD2-CB 4.27Å; W198-P207 HydrophobicContact CE3-CB 4.2Å; W198-P207 HydrophobicContact CH2-CB 3.75Å; W198-P207 HydrophobicContact CH2-CG 4.04Å; W198-P207 HydrophobicContact CZ2-CB 3.88Å; W198-P207 HydrophobicContact CZ2-CG 4.41Å; W198-P207 HydrophobicContact CZ3-CB 3.95Å; W198-P207 HydrophobicContact CZ3-CG 4.46Å; W198-P207 VanDerWaalsContact CZ3-N 3.26Å
199D95.5Very high95.1Very high24 Ų2446.4 Ų46.413%0.12824%0.24CC..EExtended strand (participates in β ladder)trans-125.4120.9171.5-176.8-26.5000108.9E185 R201 Q202E185-D199 HydrophobicContact CG-CB 4.2Å; D199-R201 PolarHBondContact O-N 3.01Å; D199-R201 WeakPolarHBondContact OD1-CB 3.26Å; D199-R201 VanDerWaalsContact OD1-CG 3.28Å; D199-R201 WeakPolarHBondContact OD1-CG 3.4Å; D199-R201 IonicContact OD1-CZ 3.83Å; D199-R201 PolarHBondContact OD1-N 2.9Å; D199-R201 IonicContact OD1-NE 2.99Å; D199-R201 PolarHBondContact OD1-NE 3.32Å; D199-R201 IonicContact OD1-NH2 3.87Å; D199-R201 IonicContact OD2-CZ 3.21Å; D199-R201 IonicContact OD2-NE 2.92Å; D199-R201 PolarHBondContact OD2-NE 3.24Å; D199-R201 IonicContact OD2-NH2 2.65Å; D199-R201 PolarHBondContact OD2-NH2 3.49Å; D199-Q202 HydrophobicContact CB-CB 4.45Å; D199-Q202 VanDerWaalsContact O-CB 3.27Å; D199-Q202 WeakPolarHBondContact O-CB 3.31Å; D199-Q202 WeakPolarHBondContact O-CG 3.43Å; D199-Q202 PolarHBondContact O-N 2.77Å
200F94Very high95Very high14 Ų1449.9 Ų49.96%0.06126%0.258CS..THydrogen-bonded Turntrans-63.4-14.8-178.7-68.6-68.5000114.6V145 I153 L155 R165 I167 P184 I186 Q202V145-F200 HydrophobicContact CG1-CE2 4.46Å; V145-F200 HydrophobicContact CG1-CZ 4Å; V145-F200 HydrophobicContact CG2-CE2 3.63Å; V145-F200 HydrophobicContact CG2-CZ 3.82Å; I153-F200 HydrophobicContact CG2-CE1 3.93Å; I153-F200 HydrophobicContact CG2-CZ 3.87Å; L155-F200 HydrophobicContact CB-CD1 3.84Å; L155-F200 HydrophobicContact CB-CD2 4.23Å; L155-F200 HydrophobicContact CB-CE1 3.65Å; L155-F200 HydrophobicContact CB-CE2 4.06Å; L155-F200 HydrophobicContact CB-CG 4.13Å; L155-F200 HydrophobicContact CB-CZ 3.76Å; L155-F200 HydrophobicContact CD1-CD2 4.31Å; L155-F200 HydrophobicContact CD1-CE2 4.11Å; L155-F200 HydrophobicContact CD2-CB 4.03Å; L155-F200 HydrophobicContact CD2-CD1 4.3Å; L155-F200 HydrophobicContact CD2-CD2 3.88Å; L155-F200 HydrophobicContact CD2-CE2 4.42Å; L155-F200 HydrophobicContact CD2-CG 3.81Å; L155-F200 HydrophobicContact CG-CD2 4.37Å; L155-F200 HydrophobicContact CG-CE2 4.42Å; L155-F200 HydrophobicContact CG-CG 4.49Å; R165-F200 HydrophobicContact CB-CD1 4.23Å; R165-F200 HydrophobicContact CG-CD1 4.06Å; R165-F200 PolarHBondContact NH1-O 2.88Å; I167-F200 HydrophobicContact CD1-CD1 4.19Å; I167-F200 HydrophobicContact CD1-CE1 4.22Å; I167-F200 HydrophobicContact CG1-CD1 4.47Å; I167-F200 HydrophobicContact CG1-CE1 4.49Å; P184-F200 HydrophobicContact CB-CB 4.43Å; P184-F200 HydrophobicContact CB-CD2 4.39Å; P184-F200 VanDerWaalsContact O-CD2 3.31Å; P184-F200 WeakPolarHBondContact O-CD2 3.32Å; P184-F200 PolarHBondContact O-N 2.92Å; I186-F200 HydrophobicContact CD1-CE2 4.08Å; I186-F200 HydrophobicContact CD1-CZ 3.77Å; I186-F200 HydrophobicContact CG1-CE2 4.29Å; I186-F200 HydrophobicContact CG1-CZ 4.44Å; I186-F200 HydrophobicContact CG2-CE2 3.87Å; F200-Q202 VanDerWaalsContact C-N 3.32Å
201R92.7Very high94.9Very high155 Ų15549.9 Ų49.959%0.58526%0.258SS*.THydrogen-bonded Turntrans-78.2-19.1173.9-56.1171.4-67.4-170.90.1112.3P184 D199P184-R201 HydrophobicContact CG-CG 3.79Å; D199-R201 PolarHBondContact O-N 3.01Å; D199-R201 WeakPolarHBondContact OD1-CB 3.26Å; D199-R201 VanDerWaalsContact OD1-CG 3.28Å; D199-R201 WeakPolarHBondContact OD1-CG 3.4Å; D199-R201 IonicContact OD1-CZ 3.83Å; D199-R201 PolarHBondContact OD1-N 2.9Å; D199-R201 IonicContact OD1-NE 2.99Å; D199-R201 PolarHBondContact OD1-NE 3.32Å; D199-R201 IonicContact OD1-NH2 3.87Å; D199-R201 IonicContact OD2-CZ 3.21Å; D199-R201 IonicContact OD2-NE 2.92Å; D199-R201 PolarHBondContact OD2-NE 3.24Å; D199-R201 IonicContact OD2-NH2 2.65Å; D199-R201 PolarHBondContact OD2-NH2 3.49Å
202Q89.1Confident94.7Very high37 Ų3750 Ų5017%0.17326%0.259CS..SBendtrans-66.6148.7-176.585.7-168-0.900111.7R165 D199 F200 E206R165-Q202 PolarHBondContact NH1-O 2.6Å; R165-Q202 PolarHBondContact NH2-O 3.24Å; D199-Q202 HydrophobicContact CB-CB 4.45Å; D199-Q202 VanDerWaalsContact O-CB 3.27Å; D199-Q202 WeakPolarHBondContact O-CB 3.31Å; D199-Q202 WeakPolarHBondContact O-CG 3.43Å; D199-Q202 PolarHBondContact O-N 2.77Å; F200-Q202 VanDerWaalsContact C-N 3.32Å; Q202-E206 PolarHBondContact NE2-O 3.32Å
203Q83.6Confident94.4Very high177 Ų17750.6 Ų50.683%0.82726%0.262SS*.SBendtrans-94.8123.2173-58.7-60.3-44.300107.9
204G88.6Confident93.5Very high40 Ų4055.5 Ų55.541%0.41229%0.291SS..SBendtrans106.5176-175.500000114.2
205N92.8Very high92.5Very high61 Ų6156.4 Ų56.433%0.32631%0.311SS..SBendtrans-116.824.1-173.3-60.4-8.4000112.4I167 D168 W198I167-N205 HydrophobicContact CG2-CB 3.74Å; D168-N205 PolarHBondContact O-ND2 3.44Å; W198-N205 WeakPolarHBondContact CZ3-O 3.26Å
206E94.3Very high91.4Very high149 Ų14962.3 Ų62.370%0.69634%0.343SS*.SBendtrans-102145.2178-62.5-60.9152.500110.6Q202Q202-E206 PolarHBondContact NE2-O 3.32Å
207P96.4Very high90.9Very high24 Ų2470.6 Ų70.616%0.15637%0.374CS..  trans-71.5146.5175.931.1-34.9000110.7K196 I197 W198 Q209 I210K196-P207 HydrophobicContact CB-CB 3.91Å; K196-P207 HydrophobicContact CD-CB 4.27Å; K196-P207 HydrophobicContact CD-CG 4.07Å; K196-P207 HydrophobicContact CG-CB 4.24Å; K196-P207 HydrophobicContact CG-CG 4.36Å; I197-P207 CarbonylContact O-C 3.59Å; I197-P207 WeakPolarHBondContact O-CA 3.38Å; W198-P207 HydrophobicContact CD2-CB 4.27Å; W198-P207 HydrophobicContact CE3-CB 4.2Å; W198-P207 HydrophobicContact CH2-CB 3.75Å; W198-P207 HydrophobicContact CH2-CG 4.04Å; W198-P207 HydrophobicContact CZ2-CB 3.88Å; W198-P207 HydrophobicContact CZ2-CG 4.41Å; W198-P207 HydrophobicContact CZ3-CB 3.95Å; W198-P207 HydrophobicContact CZ3-CG 4.46Å; W198-P207 VanDerWaalsContact CZ3-N 3.26Å; P207-Q209 VanDerWaalsContact C-N 3.35Å; P207-I210 HydrophobicContact CB-CG1 4.32Å; P207-I210 HydrophobicContact CG-CD1 3.8Å; P207-I210 HydrophobicContact CG-CG1 3.71Å
208S94.8Very high90.8Very high73 Ų7371.9 Ų71.951%0.5138%0.382SS..SBendtrans-71.2-31.1175.961.50000112.8I197I197-S208 WeakPolarHBondContact CB-OG 3.46Å; I197-S208 WeakPolarHBondContact CG2-OG 3.46Å; I197-S208 PolarHBondContact O-N 2.73Å; I197-S208 PolarHBondContact O-OG 2.83Å
209Q96Very high90.8Very high69 Ų6973.4 Ų73.432%0.32239%0.392SS..EExtended strand (participates in β ladder)trans-152.3147.3178.6-175.4173.8-21.400110.1K196 I197 P207 L211 V247K196-Q209 WeakPolarHBondContact CA-O 3.36Å; I197-Q209 HydrophobicContact CB-CB 4.28Å; I197-Q209 HydrophobicContact CD1-CB 4.12Å; I197-Q209 HydrophobicContact CG1-CB 4.33Å; I197-Q209 PolarHBondContact N-O 2.79Å; P207-Q209 VanDerWaalsContact C-N 3.35Å; Q209-L211 HydrophobicContact CG-CD1 4.08Å; Q209-V247 PolarHBondContact NE2-O 2.82Å
210I96.6Very high90.9Very high73 Ų7372.8 Ų72.837%0.37439%0.389SS..EExtended strand (participates in β ladder)trans-125.3129.1175.4-52.6-179.6000108.4Q194 L195 K196 P207Q194-I210 HydrophobicContact CB-CG2 4.26Å; Q194-I210 HydrophobicContact CG-CG2 4.32Å; L195-I210 CarbonylContact O-C 3.52Å; L195-I210 WeakPolarHBondContact O-CA 3.17Å; K196-I210 HydrophobicContact CG-CG1 4.25Å; K196-I210 HydrophobicContact CG-CG2 4.44Å; P207-I210 HydrophobicContact CB-CG1 4.32Å; P207-I210 HydrophobicContact CG-CD1 3.8Å; P207-I210 HydrophobicContact CG-CG1 3.71Å
211L96.6Very high91.2Very high0 Ų073.5 Ų73.50%039%0.392CS..EExtended strand (participates in β ladder)trans-118.9148.1169.9-50.389.5000108.6Q194 L195 I197 Q209 W245 T251Q194-L211 CarbonylContact C-O 3.57Å; Q194-L211 WeakPolarHBondContact CA-O 3.25Å; L195-L211 HydrophobicContact CB-CB 4.18Å; L195-L211 HydrophobicContact CB-CD1 4.26Å; L195-L211 PolarHBondContact N-O 2.79Å; L195-L211 PolarHBondContact O-N 3.07Å; I197-L211 HydrophobicContact CD1-CD1 4.28Å; I197-L211 HydrophobicContact CG1-CD1 4.47Å; Q209-L211 HydrophobicContact CG-CD1 4.08Å; L211-W245 HydrophobicContact CB-CE3 4.01Å; L211-W245 HydrophobicContact CB-CZ3 3.92Å; L211-W245 HydrophobicContact CD2-CE3 4.19Å; L211-T251 WeakPolarHBondContact CA-O 3.25Å
212S94.8Very high91.4Very high36 Ų3666.5 Ų66.525%0.25237%0.367SS..EExtended strand (participates in β ladder)trans-166.8149.3179.659.20000110.7G193 T214 T251G193-S212 WeakPolarHBondContact O-CA 3.5Å; G193-S212 WeakPolarHBondContact O-CB 3.31Å; S212-T214 PolarHBondContact O-N 3.4Å; S212-T251 PolarHBondContact N-O 3.09Å
213L89.7Confident91.9Very high54 Ų5465.5 Ų65.528%0.28336%0.363SS..  trans-65.2134.8168.3-167.971.9000109.3M252 P253 L256L213-M252 HydrophobicContact CD1-CE 3.77Å; L213-P253 HydrophobicContact CD1-CG 3.85Å; L213-L256 HydrophobicContact CD1-CD2 4.27Å; L213-L256 HydrophobicContact CD2-CD2 4.45Å
214T78.5Confident92.6Very high111 Ų11158.6 Ų58.668%0.68133%0.332SS*.SBendtrans-74.3130.9179.3-58.70000110S212 M252S212-T214 PolarHBondContact O-N 3.4Å; T214-M252 PolarHBondContact N-SD 2.92Å; T214-M252 PolarHBondContact OG1-SD 3.28Å
215G77.1Confident93.1Very high62 Ų6260 Ų6064%0.63933%0.325SS*.SBendtrans101.6-96.2175.800000111.8R217G215-R217 PolarHBondContact O-N 2.85Å
216D74.1Confident93.3Very high125 Ų12557.3 Ų57.367%0.66831%0.31SS*.  trans-72.2122.7-172.3-68.3-26.2000111.6V218D216-V218 VanDerWaalsContact C-N 3.26Å; D216-V218 HydrophobicContact CB-CG2 3.99Å; D216-V218 PolarHBondContact O-N 3.24Å; D216-V218 VanDerWaalsContact O-N 3.1Å
217R88.3Confident93.4Very high191 Ų19152 Ų5272%0.72129%0.289SS*.  trans-86.268.1177.6-64.3-176.4-176.5-169.6-0.5109.8I192 G215I192-R217 HydrophobicContact CB-CB 4.29Å; G215-R217 PolarHBondContact O-N 2.85Å
218V95.4Very high93.3Very high34 Ų3456.5 Ų56.521%0.20631%0.312CS..  trans-78.7126.7178.4-176.10000109G193 D216 L220 Q238 D239G193-V218 WeakPolarHBondContact CA-O 3.5Å; G193-V218 PolarHBondContact N-O 2.86Å; G193-V218 VanDerWaalsContact N-O 3.15Å; D216-V218 VanDerWaalsContact C-N 3.26Å; D216-V218 HydrophobicContact CB-CG2 3.99Å; D216-V218 PolarHBondContact O-N 3.24Å; D216-V218 VanDerWaalsContact O-N 3.1Å; V218-L220 PolarHBondContact O-N 3.11Å; V218-Q238 HydrophobicContact CG1-CB 3.81Å; V218-D239 HydrophobicContact CG1-CB 3.97Å
219P98.1Very high93.3Very high33 Ų3354.5 Ų54.521%0.21429%0.294CS..  trans-54.2138.7173.8-21.928.1000112S191 G237 Q238S191-P219 WeakPolarHBondContact O-CG 3.34Å; P219-G237 CarbonylContact O-C 3.53Å; P219-G237 WeakPolarHBondContact O-CA 3.35Å; P219-Q238 HydrophobicContact CB-CB 3.99Å; P219-Q238 HydrophobicContact CG-CB 3.98Å; P219-Q238 HydrophobicContact CG-CG 4.24Å; P219-Q238 PolarHBondContact O-N 2.83Å
220L98.4Very high93.2Very high11 Ų1154.6 Ų54.66%0.05830%0.295CS..EExtended strand (participates in β ladder)trans-106.6123.6170.8-70.9173.7000108.7H176 V189 N190 L195 V218 G236H176-L220 VanDerWaalsContact CB-O 3.28Å; H176-L220 WeakPolarHBondContact CB-O 3.49Å; H176-L220 PolarHBondContact CD2-O 3.25Å; H176-L220 VanDerWaalsContact CD2-O 3.26Å; V189-L220 HydrophobicContact CB-CB 3.8Å; V189-L220 HydrophobicContact CB-CD1 4.39Å; V189-L220 HydrophobicContact CG1-CB 4.18Å; V189-L220 HydrophobicContact CG1-CD1 4.04Å; V189-L220 HydrophobicContact CG2-CB 4.32Å; N190-L220 PolarHBondContact O-N 3.05Å; N190-L220 VanDerWaalsContact O-N 3.16Å; L195-L220 HydrophobicContact CD1-CD1 3.46Å; L195-L220 VanDerWaalsContact CD1-CD1 3.46Å; L195-L220 HydrophobicContact CG-CD1 4.47Å; V218-L220 PolarHBondContact O-N 3.11Å; L220-G236 WeakPolarHBondContact CA-O 3.46Å
221H98.7Very high93.2Very high29 Ų2952.4 Ų52.413%0.13428%0.283CS..EExtended strand (participates in β ladder)trans-96.1-33.5-172.6-71-51.8000113.3H176 A177 G236 Q238 W265H176-H221 AromaticContact CD2-ND1 4Å; A177-H221 WeakPolarHBondContact CB-O 3.39Å; H221-G236 PolarHBondContact N-O 2.77Å; H221-Q238 PolarHBondContact CE1-OE1 3.1Å; H221-Q238 PolarHBondContact NE2-OE1 3.31Å; H221-W265 HydrophobicContact CB-CE3 4.15Å; H221-W265 HydrophobicContact CB-CZ3 4.27Å; H221-W265 AromaticContact CD2-CZ3 3.68Å; H221-W265 AromaticContact CE1-CZ3 3.86Å; H221-W265 AromaticContact CG-CZ3 3.69Å; H221-W265 AromaticContact ND1-CZ3 3.85Å; H221-W265 AromaticContact NE2-CZ3 3.77Å
222C98.7Very high93.2Very high8 Ų852.4 Ų52.45%0.05428%0.283CS..EExtended strand (participates in β ladder)trans-136156.3-176.155.50000112.7T235 G236 M264 W265 V267C222-T235 VanDerWaalsContact O-CA 3.25Å; C222-T235 WeakPolarHBondContact O-CA 3.26Å; C222-T235 WeakPolarHBondContact O-CB 3.28Å; C222-G236 PolarHBondContact O-N 2.97Å; C222-G236 VanDerWaalsContact SG-CA 3.54Å; C222-G236 PolarHBondContact SG-N 2.77Å; C222-M264 PolarHBondContact SG-O 3.32Å; C222-M264 VanDerWaalsContact SG-O 3.41Å; C222-W265 VanDerWaalsContact CB-O 3.26Å; C222-W265 WeakPolarHBondContact CB-O 3.36Å; C222-V267 HydrophobicContact CB-CG1 4.3Å
223V98.8Very high93.4Very high15 Ų1550.7 Ų50.79%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-149.5136.2174.961.90000110.6A177 T179 L187 V189 V233 A234 T235A177-V223 HydrophobicContact CB-CG1 4.02Å; T179-V223 HydrophobicContact CG2-CG1 4.09Å; T179-V223 HydrophobicContact CG2-CG2 3.87Å; L187-V223 HydrophobicContact CD2-CG2 3.85Å; V189-V223 HydrophobicContact CG1-CB 3.97Å; V189-V223 HydrophobicContact CG1-CG1 4.27Å; V189-V223 HydrophobicContact CG1-CG2 4.4Å; V189-V223 HydrophobicContact CG2-CB 4.21Å; V189-V223 HydrophobicContact CG2-CG1 4.01Å; V223-V233 HydrophobicContact CG2-CB 4.16Å; V223-A234 CarbonylContact C-O 3.59Å; V223-A234 VanDerWaalsContact CA-O 3.28Å; V223-A234 WeakPolarHBondContact CA-O 3.39Å; V223-T235 HydrophobicContact CB-CG2 4Å; V223-T235 HydrophobicContact CG2-CG2 3.75Å
224D98.8Very high93.8Very high33 Ų3348.1 Ų48.118%0.17626%0.257CS..EExtended strand (participates in β ladder)trans-135.7148.5171.1-17535.7000111.5V233 A234 V267 H268 F269D224-V233 CarbonylContact O-C 3.58Å; D224-V233 VanDerWaalsContact O-CA 3.24Å; D224-V233 WeakPolarHBondContact O-CA 3.37Å; D224-A234 PolarHBondContact N-O 3.31Å; D224-A234 PolarHBondContact O-N 2.87Å; D224-V267 HydrophobicContact CB-CG1 4.3Å; D224-V267 WeakPolarHBondContact CB-O 3.48Å; D224-H268 WeakPolarHBondContact OD2-CA 3.27Å; D224-F269 PolarHBondContact OD2-N 2.99Å
225R98.3Very high94.8Very high70 Ų7042.9 Ų42.926%0.26423%0.225SC..EExtended strand (participates in β ladder)trans-103131-176.8-174.9-154.365137.49.7109.8T179 F180 L181 P227 V233T179-R225 HydrophobicContact CG2-CB 4.27Å; F180-R225 WeakPolarHBondContact O-CD 3.48Å; L181-R225 HydrophobicContact CD2-CG 4.41Å; L181-R225 VanDerWaalsContact O-CD 3.3Å; L181-R225 WeakPolarHBondContact O-CD 3.1Å; L181-R225 PolarHBondContact O-NH1 3.35Å; R225-P227 PolarHBondContact NH2-O 2.85Å; R225-V233 HydrophobicContact CB-CG1 4.19Å; R225-V233 HydrophobicContact CG-CG1 4.21Å
226H97.8Very high95.8Very high4 Ų439.9 Ų39.92%0.01919%0.194CC..  trans-53.4126.8173.4-172.2-69000111.3N228 Q229 V232 F269 P274 S328H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact ND1-N 2.86Å; H226-N228 PolarHBondContact O-N 2.97Å; H226-Q229 HydrophobicContact CB-CB 4.28Å; H226-Q229 PolarHBondContact ND1-N 2.89Å; H226-Q229 VanDerWaalsContact ND1-N 3.19Å; H226-Q229 PolarHBondContact O-N 2.82Å; H226-V232 HydrophobicContact CB-CB 3.76Å; H226-V232 HydrophobicContact CB-CG1 4.05Å; H226-V232 PolarHBondContact N-O 3.05Å; H226-F269 HydrophobicContact CB-CD2 4.27Å; H226-F269 HydrophobicContact CB-CE2 4.08Å; H226-F269 HydrophobicContact CB-CZ 4.23Å; H226-F269 AromaticContact CD2-CE1 3.87Å; H226-P274 WeakPolarHBondContact CE1-CG 3.31Å; H226-S328 PolarHBondContact NE2-OG 3.3Å
227P95.7Very high96.9Very high37 Ų3734 Ų3424%0.2416%0.164CC..THydrogen-bonded Turntrans-63.1-36.9-16921.3-33.1000113R225 P274R225-P227 PolarHBondContact NH2-O 2.85Å; P227-P274 HydrophobicContact CG-CB 3.65Å; P227-P274 HydrophobicContact CG-CG 3.97Å
228N94.8Very high97.4Very high119 Ų11928.3 Ų28.364%0.63615%0.145SC*.THydrogen-bonded Turntrans-94.4-12.9-178.3-59.1-35.1000114.6H226H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact ND1-N 2.86Å; H226-N228 PolarHBondContact O-N 2.97Å
229Q94.6Very high97.5Very high31 Ų3129.9 Ų29.915%0.14515%0.152CC..  trans-132.190.4-170.8-63.9-171.446.400109.3H226 H231 V232 V326 S328H226-Q229 HydrophobicContact CB-CB 4.28Å; H226-Q229 PolarHBondContact ND1-N 2.89Å; H226-Q229 VanDerWaalsContact ND1-N 3.19Å; H226-Q229 PolarHBondContact O-N 2.82Å; Q229-H231 PolarHBondContact O-N 2.98Å; Q229-V232 HydrophobicContact CB-CB 4.27Å; Q229-V232 HydrophobicContact CB-CG2 3.86Å; Q229-V232 PolarHBondContact O-N 2.85Å; Q229-V326 PolarHBondContact NE2-O 3.49Å; Q229-S328 VanDerWaalsContact NE2-CA 3.31Å; Q229-S328 VanDerWaalsContact NE2-CB 3.31Å; Q229-S328 VanDerWaalsContact NE2-N 3.13Å
230Q94.4Very high97.4Very high71 Ų7128.3 Ų28.333%0.33214%0.142SC..THydrogen-bonded Turntrans-60.9-11.1-169.578.2-150.1-4700116.4R182R182-Q230 VanDerWaalsContact CZ-OE1 3.23Å
231H95.4Very high97.4Very high27 Ų2730.3 Ų30.313%0.12515%0.152CC..THydrogen-bonded Turntrans-100.5-4.8-178.356.5-86.7000112.5Q229 D246 V247 R248Q229-H231 PolarHBondContact O-N 2.98Å; H231-D246 IonicContact CD2-OD1 2.9Å; H231-D246 PolarHBondContact CD2-OD1 2.96Å; H231-D246 VanDerWaalsContact CD2-OD1 3.26Å; H231-D246 IonicContact CD2-OD2 3.99Å; H231-D246 IonicContact CG-OD1 3.32Å; H231-D246 CarbonylContact O-C 3.55Å; H231-D246 WeakPolarHBondContact O-CA 3.39Å; H231-V247 HydrophobicContact CB-CG2 3.83Å; H231-V247 PolarHBondContact O-N 3.35Å; H231-R248 HydrophobicContact CB-CG 4Å; H231-R248 PolarHBondContact CD2-NE 2.68Å; H231-R248 PolarHBondContact CD2-NH2 2.85Å; H231-R248 VanDerWaalsContact CG-NE 3.34Å; H231-R248 VanDerWaalsContact NE2-CZ 3.3Å; H231-R248 PolarHBondContact NE2-NH2 2.89Å
232V97Very high97.4Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-103.2127.1-179.6-177.20000109.1H226 Q229 I244 W245 F269 L331H226-V232 HydrophobicContact CB-CB 3.76Å; H226-V232 HydrophobicContact CB-CG1 4.05Å; H226-V232 PolarHBondContact N-O 3.05Å; Q229-V232 HydrophobicContact CB-CB 4.27Å; Q229-V232 HydrophobicContact CB-CG2 3.86Å; Q229-V232 PolarHBondContact O-N 2.85Å; V232-I244 HydrophobicContact CG1-CG2 4.2Å; V232-W245 VanDerWaalsContact CA-O 3.31Å; V232-W245 WeakPolarHBondContact CA-O 3.38Å; V232-F269 HydrophobicContact CG1-CZ 4.5Å; V232-L331 HydrophobicContact CG1-CD2 4.34Å; V232-L331 HydrophobicContact CG2-CD1 3.67Å; V232-L331 HydrophobicContact CG2-CD2 4.33Å; V232-L331 HydrophobicContact CG2-CG 4.17Å
233V98.3Very high97.3Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-132147175-60.50000110.4T179 L181 L187 L195 V223 D224 R225 W245T179-V233 HydrophobicContact CG2-CG1 4.43Å; L181-V233 HydrophobicContact CD2-CG1 3.66Å; L187-V233 HydrophobicContact CD1-CG1 4.43Å; L187-V233 HydrophobicContact CD1-CG2 4.19Å; L195-V233 HydrophobicContact CD2-CG2 3.84Å; V223-V233 HydrophobicContact CG2-CB 4.16Å; D224-V233 CarbonylContact O-C 3.58Å; D224-V233 VanDerWaalsContact O-CA 3.24Å; D224-V233 WeakPolarHBondContact O-CA 3.37Å; R225-V233 HydrophobicContact CB-CG1 4.19Å; R225-V233 HydrophobicContact CG-CG1 4.21Å; V233-W245 HydrophobicContact CG2-CB 3.73Å; V233-W245 HydrophobicContact CG2-CG 4.14Å; V233-W245 PolarHBondContact N-O 3.31Å; V233-W245 PolarHBondContact O-N 2.86Å
234A98.6Very high97.2Very high0 Ų028.2 Ų28.20%014%0.141CC..EExtended strand (participates in β ladder)trans-110142.517100000109.1V223 D224 L242 S243 I244 V267 F269 L277V223-A234 CarbonylContact C-O 3.59Å; V223-A234 VanDerWaalsContact CA-O 3.28Å; V223-A234 WeakPolarHBondContact CA-O 3.39Å; D224-A234 PolarHBondContact N-O 3.31Å; D224-A234 PolarHBondContact O-N 2.87Å; A234-L242 HydrophobicContact CB-CD1 4.17Å; A234-S243 CarbonylContact C-O 3.48Å; A234-S243 WeakPolarHBondContact CA-O 3.48Å; A234-I244 HydrophobicContact CB-CD1 3.72Å; A234-V267 HydrophobicContact CB-CG1 4.39Å; A234-V267 HydrophobicContact CB-CG2 3.77Å; A234-F269 HydrophobicContact CB-CE2 3.6Å; A234-F269 HydrophobicContact CB-CZ 3.8Å; A234-L277 HydrophobicContact CB-CD1 3.97Å
235T98.8Very high97.1Very high0 Ų026.8 Ų26.80%013%0.133CC..EExtended strand (participates in β ladder)trans-134.5146.8177.662.50000111.4V189 L195 C222 V223 S243 W245V189-T235 HydrophobicContact CG1-CG2 3.93Å; L195-T235 HydrophobicContact CD1-CG2 4.4Å; L195-T235 HydrophobicContact CD2-CG2 4.02Å; L195-T235 HydrophobicContact CG-CG2 4.31Å; C222-T235 VanDerWaalsContact O-CA 3.25Å; C222-T235 WeakPolarHBondContact O-CA 3.26Å; C222-T235 WeakPolarHBondContact O-CB 3.28Å; V223-T235 HydrophobicContact CB-CG2 4Å; V223-T235 HydrophobicContact CG2-CG2 3.75Å; T235-S243 PolarHBondContact N-O 3.13Å; T235-S243 PolarHBondContact O-N 3.45Å; T235-S243 WeakPolarHBondContact OG1-CB 3.47Å; T235-W245 PolarHBondContact OG1-NE1 3.17Å
236G98.4Very high97Very high0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-109.3136.2172.800000112.5L220 H221 C222 M264L220-G236 WeakPolarHBondContact CA-O 3.46Å; H221-G236 PolarHBondContact N-O 2.77Å; C222-G236 PolarHBondContact O-N 2.97Å; C222-G236 VanDerWaalsContact SG-CA 3.54Å; C222-G236 PolarHBondContact SG-N 2.77Å; G236-M264 WeakPolarHBondContact CA-SD 3.25Å
237G97.8Very high96.9Very high2 Ų224 Ų242%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-102165.7-177.900000115P219 D239 G240 M241 M264P219-G237 CarbonylContact O-C 3.53Å; P219-G237 WeakPolarHBondContact O-CA 3.35Å; G237-D239 PolarHBondContact O-N 3.26Å; G237-G240 PolarHBondContact O-N 3.37Å; G237-G240 VanDerWaalsContact O-N 3.11Å; G237-M241 PolarHBondContact N-O 2.85Å; G237-M264 PolarHBondContact O-N 2.87Å
238Q98.3Very high96.8Very high71 Ų7130 Ų3033%0.33214%0.142SC..THydrogen-bonded Turntrans-58.4-26.8168175.671.333.100112.9V218 P219 H221 G240 E263V218-Q238 HydrophobicContact CG1-CB 3.81Å; P219-Q238 HydrophobicContact CB-CB 3.99Å; P219-Q238 HydrophobicContact CG-CB 3.98Å; P219-Q238 HydrophobicContact CG-CG 4.24Å; P219-Q238 PolarHBondContact O-N 2.83Å; H221-Q238 PolarHBondContact CE1-OE1 3.1Å; H221-Q238 PolarHBondContact NE2-OE1 3.31Å; Q238-G240 VanDerWaalsContact C-N 3.28Å; Q238-E263 HydrophobicContact CG-CG 4.31Å; Q238-E263 VanDerWaalsContact NE2-CG 3.33Å; Q238-E263 PolarHBondContact NE2-OE1 3.44Å; Q238-E263 VanDerWaalsContact OE1-CG 3.26Å
239D97.1Very high96.6Very high67 Ų6729.3 Ų29.336%0.35814%0.135SC..THydrogen-bonded Turntrans-87.55.8178.263-7.8000113.4V218 G237 M241V218-D239 HydrophobicContact CG1-CB 3.97Å; G237-D239 PolarHBondContact O-N 3.26Å; D239-M241 HydrophobicContact CB-CG 4.45Å; D239-M241 VanDerWaalsContact CG-CG 3.42Å; D239-M241 PolarHBondContact O-N 3.09Å; D239-M241 WeakPolarHBondContact OD1-CB 3.48Å; D239-M241 WeakPolarHBondContact OD1-CG 3.37Å; D239-M241 PolarHBondContact OD1-N 2.91Å; D239-M241 VanDerWaalsContact OD1-N 3.09Å; D239-M241 VanDerWaalsContact OD2-CG 3.25Å; D239-M241 WeakPolarHBondContact OD2-CG 3.34Å
240G97.6Very high96.3Very high0 Ų030.2 Ų30.20%015%0.153CC..  trans74.47.6-178.500000114.7G237 Q238 A259 H260 A262G237-G240 PolarHBondContact O-N 3.37Å; G237-G240 VanDerWaalsContact O-N 3.11Å; Q238-G240 VanDerWaalsContact C-N 3.28Å; G240-A259 VanDerWaalsContact O-CB 3.28Å; G240-A259 WeakPolarHBondContact O-CB 3.44Å; G240-H260 PolarHBondContact O-N 3.19Å; G240-A262 WeakPolarHBondContact CA-O 2.92Å; G240-A262 PolarHBondContact N-O 3.06Å
241M97.3Very high96.2Very high52 Ų5230.5 Ų30.526%0.25616%0.16SC..EExtended strand (participates in β ladder)trans-77.3142.7179.4-66-77.5178.100112.1G237 D239 L256 K258G237-M241 PolarHBondContact N-O 2.85Å; D239-M241 HydrophobicContact CB-CG 4.45Å; D239-M241 VanDerWaalsContact CG-CG 3.42Å; D239-M241 PolarHBondContact O-N 3.09Å; D239-M241 WeakPolarHBondContact OD1-CB 3.48Å; D239-M241 WeakPolarHBondContact OD1-CG 3.37Å; D239-M241 PolarHBondContact OD1-N 2.91Å; D239-M241 VanDerWaalsContact OD1-N 3.09Å; D239-M241 VanDerWaalsContact OD2-CG 3.25Å; D239-M241 WeakPolarHBondContact OD2-CG 3.34Å; M241-L256 HydrophobicContact CB-CD1 3.94Å; M241-L256 HydrophobicContact CG-CD1 4.37Å; M241-K258 HydrophobicContact CE-CB 4.32Å; M241-K258 HydrophobicContact CE-CG 4.2Å; M241-K258 VanDerWaalsContact SD-CA 3.54Å; M241-K258 HydrophobicContact SD-CB 4.04Å; M241-K258 HydrophobicContact SD-CG 4.31Å
242L98Very high96.1Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-94121166.2175.559.3000109A234 I244 L257 A259 M264 V267 L277 T279 W289A234-L242 HydrophobicContact CB-CD1 4.17Å; L242-I244 HydrophobicContact CD1-CD1 4.18Å; L242-I244 HydrophobicContact CG-CD1 4.22Å; L242-L257 HydrophobicContact CB-CB 4.27Å; L242-L257 HydrophobicContact CD2-CD1 4.13Å; L242-L257 PolarHBondContact N-O 2.84Å; L242-L257 PolarHBondContact O-N 2.99Å; L242-A259 HydrophobicContact CB-CB 4.34Å; L242-M264 HydrophobicContact CB-CE 3.98Å; L242-M264 HydrophobicContact CD1-SD 4.49Å; L242-V267 HydrophobicContact CD1-CG2 4Å; L242-L277 HydrophobicContact CD1-CD2 4.47Å; L242-L277 HydrophobicContact CD2-CD2 3.86Å; L242-T279 HydrophobicContact CD1-CG2 4.46Å; L242-W289 HydrophobicContact CD2-CD2 4.17Å; L242-W289 HydrophobicContact CD2-CE3 4.25Å; L242-W289 HydrophobicContact CD2-CH2 4.33Å; L242-W289 HydrophobicContact CD2-CZ2 4.22Å; L242-W289 HydrophobicContact CD2-CZ3 4.32Å
243S96.9Very high96Very high8 Ų833.6 Ų33.66%0.05618%0.177CC..EExtended strand (participates in β ladder)trans-112.9131.4174.9-55.10000111.2A234 T235 S255 L256A234-S243 CarbonylContact C-O 3.48Å; A234-S243 WeakPolarHBondContact CA-O 3.48Å; T235-S243 PolarHBondContact N-O 3.13Å; T235-S243 PolarHBondContact O-N 3.45Å; T235-S243 WeakPolarHBondContact OG1-CB 3.47Å; S243-S255 WeakPolarHBondContact CA-O 3.13Å; S243-L256 WeakPolarHBondContact OG-CD1 3.16Å
244I97.4Very high95.7Very high0 Ų035.3 Ų35.30%019%0.187CC..EExtended strand (participates in β ladder)trans-107.3131.6174.6-52.7-58.3000109.2V232 A234 L242 P253 V254 S255 L277 W330 L331V232-I244 HydrophobicContact CG1-CG2 4.2Å; A234-I244 HydrophobicContact CB-CD1 3.72Å; L242-I244 HydrophobicContact CD1-CD1 4.18Å; L242-I244 HydrophobicContact CG-CD1 4.22Å; I244-P253 CarbonylContact O-C 3.53Å; I244-P253 WeakPolarHBondContact O-CA 3.46Å; I244-P253 WeakPolarHBondContact O-CB 3.32Å; I244-V254 PolarHBondContact O-N 3.11Å; I244-S255 PolarHBondContact N-O 3.17Å; I244-S255 PolarHBondContact O-N 3.31Å; I244-L277 HydrophobicContact CD1-CD1 4.5Å; I244-W330 HydrophobicContact CD1-CE3 4.3Å; I244-W330 HydrophobicContact CG1-CE3 4.4Å; I244-W330 HydrophobicContact CG2-CB 4.13Å; I244-L331 HydrophobicContact CG2-CD2 4.06Å
245W97.3Very high95.4Very high3 Ų336.5 Ų36.51%0.01120%0.196CC..EExtended strand (participates in β ladder)trans-125138.7-175.8-49.278.8000110.7L195 L211 V232 V233 T235 P253L195-W245 HydrophobicContact CD1-CD2 4.1Å; L195-W245 HydrophobicContact CD1-CE3 4.39Å; L195-W245 HydrophobicContact CD1-CH2 3.88Å; L195-W245 HydrophobicContact CD1-CZ2 3.53Å; L195-W245 HydrophobicContact CD1-CZ3 4.28Å; L195-W245 HydrophobicContact CD2-CB 4.32Å; L195-W245 HydrophobicContact CD2-CD2 3.74Å; L195-W245 HydrophobicContact CD2-CE3 4.32Å; L195-W245 HydrophobicContact CD2-CG 3.71Å; L211-W245 HydrophobicContact CB-CE3 4.01Å; L211-W245 HydrophobicContact CB-CZ3 3.92Å; L211-W245 HydrophobicContact CD2-CE3 4.19Å; V232-W245 VanDerWaalsContact CA-O 3.31Å; V232-W245 WeakPolarHBondContact CA-O 3.38Å; V233-W245 HydrophobicContact CG2-CB 3.73Å; V233-W245 HydrophobicContact CG2-CG 4.14Å; V233-W245 PolarHBondContact N-O 3.31Å; V233-W245 PolarHBondContact O-N 2.86Å; T235-W245 PolarHBondContact OG1-NE1 3.17Å; W245-P253 HydrophobicContact CD2-CB 3.89Å; W245-P253 HydrophobicContact CE3-CB 3.95Å; W245-P253 HydrophobicContact CH2-CB 4.1Å; W245-P253 HydrophobicContact CH2-CG 4.06Å; W245-P253 HydrophobicContact CZ2-CB 4.03Å; W245-P253 HydrophobicContact CZ2-CG 4.28Å; W245-P253 HydrophobicContact CZ3-CB 4.07Å; W245-P253 VanDerWaalsContact CZ3-CD 3.42Å; W245-P253 HydrophobicContact CZ3-CG 4.24Å; W245-P253 VanDerWaalsContact CZ3-N 3.27Å
246D96Very high95.2Very high0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-107.1111.6159.3179.3-15.5000107.1H231 R248 Q249 V254 L331H231-D246 IonicContact CD2-OD1 2.9Å; H231-D246 PolarHBondContact CD2-OD1 2.96Å; H231-D246 VanDerWaalsContact CD2-OD1 3.26Å; H231-D246 IonicContact CD2-OD2 3.99Å; H231-D246 IonicContact CG-OD1 3.32Å; H231-D246 CarbonylContact O-C 3.55Å; H231-D246 WeakPolarHBondContact O-CA 3.39Å; D246-R248 PolarHBondContact O-N 3.28Å; D246-R248 VanDerWaalsContact OD1-CB 3.27Å; D246-R248 WeakPolarHBondContact OD1-CB 3.3Å; D246-R248 WeakPolarHBondContact OD1-CG 3.45Å; D246-R248 IonicContact OD1-CZ 3.79Å; D246-R248 PolarHBondContact OD1-N 2.83Å; D246-R248 IonicContact OD1-NE 2.98Å; D246-R248 PolarHBondContact OD1-NE 3.35Å; D246-R248 IonicContact OD1-NH2 3.72Å; D246-R248 IonicContact OD2-CZ 3.53Å; D246-R248 IonicContact OD2-NE 3.46Å; D246-R248 PolarHBondContact OD2-NE 2.82Å; D246-R248 IonicContact OD2-NH2 2.76Å; D246-R248 PolarHBondContact OD2-NH2 2.96Å; D246-Q249 HydrophobicContact CB-CB 4.04Å; D246-Q249 HydrophobicContact CB-CG 3.97Å; D246-Q249 PolarHBondContact O-N 2.89Å; D246-Q249 WeakPolarHBondContact OD2-CG 3.32Å; D246-Q249 PolarHBondContact OD2-NE2 3.35Å; D246-V254 HydrophobicContact CB-CG2 3.92Å; D246-L331 HydrophobicContact CB-CD1 4.44Å; D246-L331 HydrophobicContact CB-CD2 4.07Å
247V95.6Very high95Very high16 Ų1642.7 Ų42.710%0.09723%0.228CC..THydrogen-bonded Turntrans-63-13-175.5-57.50000113.4L187 I197 Q209 H231L187-V247 HydrophobicContact CD1-CG1 3.88Å; I197-V247 HydrophobicContact CD1-CB 3.89Å; I197-V247 HydrophobicContact CD1-CG1 4.03Å; I197-V247 HydrophobicContact CD1-CG2 4.4Å; Q209-V247 PolarHBondContact NE2-O 2.82Å; H231-V247 HydrophobicContact CB-CG2 3.83Å; H231-V247 PolarHBondContact O-N 3.35Å
248R93.9Very high94.9Very high162 Ų16249 Ų4961%0.61126%0.255SS*.THydrogen-bonded Turntrans-87.8-15.3175.1-51.1168.7-58.9165.25.7112.3H231 D246H231-R248 HydrophobicContact CB-CG 4Å; H231-R248 PolarHBondContact CD2-NE 2.68Å; H231-R248 PolarHBondContact CD2-NH2 2.85Å; H231-R248 VanDerWaalsContact CG-NE 3.34Å; H231-R248 VanDerWaalsContact NE2-CZ 3.3Å; H231-R248 PolarHBondContact NE2-NH2 2.89Å; D246-R248 PolarHBondContact O-N 3.28Å; D246-R248 VanDerWaalsContact OD1-CB 3.27Å; D246-R248 WeakPolarHBondContact OD1-CB 3.3Å; D246-R248 WeakPolarHBondContact OD1-CG 3.45Å; D246-R248 IonicContact OD1-CZ 3.79Å; D246-R248 PolarHBondContact OD1-N 2.83Å; D246-R248 IonicContact OD1-NE 2.98Å; D246-R248 PolarHBondContact OD1-NE 3.35Å; D246-R248 IonicContact OD1-NH2 3.72Å; D246-R248 IonicContact OD2-CZ 3.53Å; D246-R248 IonicContact OD2-NE 3.46Å; D246-R248 PolarHBondContact OD2-NE 2.82Å; D246-R248 IonicContact OD2-NH2 2.76Å; D246-R248 PolarHBondContact OD2-NH2 2.96Å
249Q89.9Confident94.7Very high105 Ų10545.8 Ų45.849%0.49124%0.241SC..SBendtrans-107.983-172.5-64.9-171.532.500111.5D246D246-Q249 HydrophobicContact CB-CB 4.04Å; D246-Q249 HydrophobicContact CB-CG 3.97Å; D246-Q249 PolarHBondContact O-N 2.89Å; D246-Q249 WeakPolarHBondContact OD2-CG 3.32Å; D246-Q249 PolarHBondContact OD2-NE2 3.35Å
250G87.9Confident94.8Very high51 Ų5142.8 Ų42.853%0.52623%0.225SC..  trans64.6-154.217300000113.5
251T92.9Very high94.8Very high76 Ų7649.9 Ų49.947%0.46626%0.258SS..SBendtrans-115.81.4-174.660.20000113.3L211 S212L211-T251 WeakPolarHBondContact CA-O 3.25Å; S212-T251 PolarHBondContact N-O 3.09Å
252M93.6Very high94.8Very high70 Ų7048.3 Ų48.335%0.34525%0.253SS..SBendtrans-113.4156-173.8-70.4-65.3-73.600110L213 T214L213-M252 HydrophobicContact CD1-CE 3.77Å; T214-M252 PolarHBondContact N-SD 2.92Å; T214-M252 PolarHBondContact OG1-SD 3.28Å
253P93.9Very high94.8Very high23 Ų2350.4 Ų50.415%0.14926%0.263CS..  trans-65.9148.2175.528.2-32000110.2L213 I244 W245L213-P253 HydrophobicContact CD1-CG 3.85Å; I244-P253 CarbonylContact O-C 3.53Å; I244-P253 WeakPolarHBondContact O-CA 3.46Å; I244-P253 WeakPolarHBondContact O-CB 3.32Å; W245-P253 HydrophobicContact CD2-CB 3.89Å; W245-P253 HydrophobicContact CE3-CB 3.95Å; W245-P253 HydrophobicContact CH2-CB 4.1Å; W245-P253 HydrophobicContact CH2-CG 4.06Å; W245-P253 HydrophobicContact CZ2-CB 4.03Å; W245-P253 HydrophobicContact CZ2-CG 4.28Å; W245-P253 HydrophobicContact CZ3-CB 4.07Å; W245-P253 VanDerWaalsContact CZ3-CD 3.42Å; W245-P253 HydrophobicContact CZ3-CG 4.24Å; W245-P253 VanDerWaalsContact CZ3-N 3.27Å
254V93.2Very high94.9Very high35 Ų3550 Ų5021%0.21226%0.261CS..SBendtrans-72.9-40.5173.1177.40000109.7I244 D246 L331 T333I244-V254 PolarHBondContact O-N 3.11Å; D246-V254 HydrophobicContact CB-CG2 3.92Å; V254-L331 HydrophobicContact CB-CD2 4.12Å; V254-L331 HydrophobicContact CG1-CD2 4.06Å; V254-L331 HydrophobicContact CG2-CD2 4.04Å; V254-T333 HydrophobicContact CG1-CG2 4.48Å
255S91.9Very high95Very high26 Ų2653.6 Ų53.618%0.18227%0.274CS..EExtended strand (participates in β ladder)trans-135.4140.5177.8-55.90000110.7S243 I244S243-S255 WeakPolarHBondContact CA-O 3.13Å; I244-S255 PolarHBondContact N-O 3.17Å; I244-S255 PolarHBondContact O-N 3.31Å
256L93.6Very high95.1Very high85 Ų8554 Ų5445%0.44528%0.276SS..EExtended strand (participates in β ladder)trans-128112174.4-178.665.9000107.7L213 M241 S243L213-L256 HydrophobicContact CD1-CD2 4.27Å; L213-L256 HydrophobicContact CD2-CD2 4.45Å; M241-L256 HydrophobicContact CB-CD1 3.94Å; M241-L256 HydrophobicContact CG-CD1 4.37Å; S243-L256 WeakPolarHBondContact OG-CD1 3.16Å
257L94.4Very high95.2Very high44 Ų4454.1 Ų54.123%0.2328%0.277CS..EExtended strand (participates in β ladder)trans-116.2127.6-170.3-56.1174.1000109.5L242 A259 W289 W330 I340L242-L257 HydrophobicContact CB-CB 4.27Å; L242-L257 HydrophobicContact CD2-CD1 4.13Å; L242-L257 PolarHBondContact N-O 2.84Å; L242-L257 PolarHBondContact O-N 2.99Å; L257-A259 PolarHBondContact O-N 2.92Å; L257-W289 HydrophobicContact CB-CZ3 4.35Å; L257-W289 HydrophobicContact CD1-CZ3 4.18Å; L257-W330 HydrophobicContact CD1-CZ3 4.5Å; L257-I340 HydrophobicContact CD1-CD1 3.98Å
258K95.3Very high95.3Very high134 Ų13454.7 Ų54.758%0.58328%0.278SS*.EExtended strand (participates in β ladder)trans-69118.5170.7-170.3-177.8177.9-1660108.6M241 E261M241-K258 HydrophobicContact CE-CB 4.32Å; M241-K258 HydrophobicContact CE-CG 4.2Å; M241-K258 VanDerWaalsContact SD-CA 3.54Å; M241-K258 HydrophobicContact SD-CB 4.04Å; M241-K258 HydrophobicContact SD-CG 4.31Å; K258-E261 WeakPolarHBondContact CE-OE1 3.31Å; K258-E261 IonicContact NZ-OE1 3.9Å; K258-E261 PolarHBondContact NZ-OE1 3.15Å; K258-E261 IonicContact NZ-OE2 3.32Å
259A95.8Very high95.6Very high5 Ų547.2 Ų47.24%0.04125%0.25CS..  trans-115-82.7-179.900000109.9G240 L242 L257 M264 W287 W289G240-A259 VanDerWaalsContact O-CB 3.28Å; G240-A259 WeakPolarHBondContact O-CB 3.44Å; L242-A259 HydrophobicContact CB-CB 4.34Å; L257-A259 PolarHBondContact O-N 2.92Å; A259-M264 HydrophobicContact CB-CE 3.72Å; A259-W287 HydrophobicContact CB-CE3 4.46Å; A259-W287 HydrophobicContact CB-CZ3 4.28Å; A259-W287 WeakPolarHBondContact O-CH2 3.35Å; A259-W287 VanDerWaalsContact O-CZ3 3.26Å; A259-W287 WeakPolarHBondContact O-CZ3 3.49Å; A259-W289 HydrophobicContact CB-CH2 3.59Å; A259-W289 HydrophobicContact CB-CZ2 3.34Å
260H97.8Very high96Very high4 Ų442.5 Ų42.52%0.01923%0.228CC..  trans-100.6168.4-166.9-62.3-48.9000112.6G240 M264 T279 S281 D283 S285 W287G240-H260 PolarHBondContact O-N 3.19Å; H260-M264 VanDerWaalsContact CD2-CE 3.46Å; H260-M264 WeakPolarHBondContact CD2-CE 3.26Å; H260-T279 WeakPolarHBondContact NE2-CB 3.21Å; H260-T279 PolarHBondContact NE2-OG1 3.19Å; H260-S281 WeakPolarHBondContact CB-OG 3.39Å; H260-D283 WeakPolarHBondContact CB-OD2 3.36Å; H260-D283 IonicContact CG-OD2 3.02Å; H260-S285 PolarHBondContact CE1-OG 3.26Å; H260-S285 VanDerWaalsContact CE1-OG 3.27Å; H260-S285 PolarHBondContact ND1-OG 2.97Å; H260-S285 VanDerWaalsContact ND1-OG 3.07Å; H260-W287 AromaticContact CE1-CD1 3.82Å; H260-W287 AromaticContact CE1-CD2 3.62Å; H260-W287 AromaticContact CE1-CE2 3.93Å; H260-W287 AromaticContact CE1-CG 3.57Å; H260-W287 AromaticContact CE1-NE1 3.98Å; H260-W287 AromaticContact ND1-CD2 3.91Å; H260-W287 AromaticContact ND1-CE2 3.83Å
261E97.5Very high96.4Very high148 Ų14843 Ų4369%0.69222%0.222SC*.SBendtrans-98.2-2.3176.8-63.2-69.1144.600112.6K258 D283K258-E261 WeakPolarHBondContact CE-OE1 3.31Å; K258-E261 IonicContact NZ-OE1 3.9Å; K258-E261 PolarHBondContact NZ-OE1 3.15Å; K258-E261 IonicContact NZ-OE2 3.32Å; E261-D283 PolarHBondContact N-OD2 2.83Å
262A98.1Very high96.4Very high20 Ų2043.8 Ų43.817%0.16523%0.231CC..SBendtrans-145.9-173.8176.100000110.7G240 M264 E282 D283G240-A262 WeakPolarHBondContact CA-O 2.92Å; G240-A262 PolarHBondContact N-O 3.06Å; A262-M264 PolarHBondContact O-N 3.13Å; A262-E282 HydrophobicContact CB-CB 3.86Å; A262-E282 HydrophobicContact CB-CG 4.35Å; A262-D283 HydrophobicContact CB-CB 3.93Å
263E98.6Very high96.5Very high44 Ų4443.3 Ų43.321%0.20623%0.23CC..  trans-52.3130.5-175.6-63.288.4154.700112.8Q238 W265 S281 E282Q238-E263 HydrophobicContact CG-CG 4.31Å; Q238-E263 VanDerWaalsContact NE2-CG 3.33Å; Q238-E263 PolarHBondContact NE2-OE1 3.44Å; Q238-E263 VanDerWaalsContact OE1-CG 3.26Å; E263-W265 HydrophobicContact CB-CD2 4.39Å; E263-W265 HydrophobicContact CB-CE3 4.48Å; E263-W265 HydrophobicContact CB-CH2 3.88Å; E263-W265 HydrophobicContact CB-CZ2 3.8Å; E263-W265 HydrophobicContact CB-CZ3 4.23Å; E263-W265 HydrophobicContact CG-CH2 4.02Å; E263-W265 HydrophobicContact CG-CZ2 4.2Å; E263-S281 CarbonylContact O-C 3.14Å; E263-S281 VanDerWaalsContact O-CA 3.25Å; E263-S281 WeakPolarHBondContact O-CA 2.93Å; E263-S281 PolarHBondContact O-OG 3.38Å; E263-E282 HydrophobicContact CB-CB 4.08Å; E263-E282 PolarHBondContact O-N 3.01Å
264M98.8Very high96.6Very high0 Ų042.7 Ų42.70%023%0.226CC..EExtended strand (participates in β ladder)trans-87.6111.1171.8-175.5-178.7-61.900110.5C222 G236 G237 L242 A259 H260 A262 V267 T279 C280C222-M264 PolarHBondContact SG-O 3.32Å; C222-M264 VanDerWaalsContact SG-O 3.41Å; G236-M264 WeakPolarHBondContact CA-SD 3.25Å; G237-M264 PolarHBondContact O-N 2.87Å; L242-M264 HydrophobicContact CB-CE 3.98Å; L242-M264 HydrophobicContact CD1-SD 4.49Å; A259-M264 HydrophobicContact CB-CE 3.72Å; H260-M264 VanDerWaalsContact CD2-CE 3.46Å; H260-M264 WeakPolarHBondContact CD2-CE 3.26Å; A262-M264 PolarHBondContact O-N 3.13Å; M264-V267 HydrophobicContact SD-CB 4.39Å; M264-T279 HydrophobicContact CE-CG2 3.89Å; M264-T279 HydrophobicContact SD-CG2 3.56Å; M264-T279 VanDerWaalsContact SD-CG2 3.56Å; M264-C280 WeakPolarHBondContact CA-O 3.34Å
265W98.8Very high96.6Very high75 Ų7543.6 Ų43.628%0.28423%0.229SC..EExtended strand (participates in β ladder)trans-81.6-39.4-174.1-68.7133.9000114.4H221 C222 E263 C280 E282 S352H221-W265 HydrophobicContact CB-CE3 4.15Å; H221-W265 HydrophobicContact CB-CZ3 4.27Å; H221-W265 AromaticContact CD2-CZ3 3.68Å; H221-W265 AromaticContact CE1-CZ3 3.86Å; H221-W265 AromaticContact CG-CZ3 3.69Å; H221-W265 AromaticContact ND1-CZ3 3.85Å; H221-W265 AromaticContact NE2-CZ3 3.77Å; C222-W265 VanDerWaalsContact CB-O 3.26Å; C222-W265 WeakPolarHBondContact CB-O 3.36Å; E263-W265 HydrophobicContact CB-CD2 4.39Å; E263-W265 HydrophobicContact CB-CE3 4.48Å; E263-W265 HydrophobicContact CB-CH2 3.88Å; E263-W265 HydrophobicContact CB-CZ2 3.8Å; E263-W265 HydrophobicContact CB-CZ3 4.23Å; E263-W265 HydrophobicContact CG-CH2 4.02Å; E263-W265 HydrophobicContact CG-CZ2 4.2Å; W265-C280 PolarHBondContact N-O 3.4Å; W265-E282 HydrophobicContact CZ2-CB 4.26Å; W265-E282 HydrophobicContact CZ2-CG 4.5Å; W265-E282 PolarHBondContact NE1-OE2 3.23Å; W265-S352 PolarHBondContact NE1-OG 2.85Å
266E98.9Very high96.8Very high10 Ų1043.2 Ų43.25%0.04722%0.224CC..EExtended strand (participates in β ladder)trans-140.4150.2175.8-64.7-170.5175.600111.6K15 R17 H268 T279 C280 S355 L356K15-E266 VanDerWaalsContact CD-OE1 3.29Å; K15-E266 WeakPolarHBondContact CD-OE1 3.29Å; K15-E266 VanDerWaalsContact CE-OE1 3.26Å; K15-E266 WeakPolarHBondContact CE-OE1 3.39Å; K15-E266 IonicContact NZ-OE1 3.29Å; R17-E266 IonicContact CZ-OE1 3.26Å; R17-E266 IonicContact CZ-OE2 3.49Å; R17-E266 IonicContact NH1-OE1 3.47Å; R17-E266 PolarHBondContact NH1-OE1 2.98Å; R17-E266 IonicContact NH1-OE2 3.84Å; R17-E266 PolarHBondContact NH1-OE2 3.22Å; R17-E266 IonicContact NH2-OE1 2.73Å; R17-E266 PolarHBondContact NH2-OE1 2.99Å; R17-E266 IonicContact NH2-OE2 3.61Å; R17-E266 PolarHBondContact NH2-OE2 2.95Å; E266-H268 IonicContact OE2-CD2 3.1Å; E266-H268 IonicContact OE2-CE1 2.74Å; E266-H268 IonicContact OE2-NE2 2.65Å; E266-H268 PolarHBondContact OE2-NE2 2.98Å; E266-T279 WeakPolarHBondContact O-CA 3.27Å; E266-C280 PolarHBondContact O-N 3.15Å; E266-C280 VanDerWaalsContact O-N 3.15Å; E266-S355 VanDerWaalsContact CD-OG 3.22Å; E266-S355 WeakPolarHBondContact OE1-CB 3.22Å; E266-S355 PolarHBondContact OE1-OG 2.98Å; E266-S355 PolarHBondContact OE2-OG 3.2Å; E266-S355 VanDerWaalsContact OE2-OG 3.09Å; E266-L356 PolarHBondContact OE2-N 3.38Å
267V98.9Very high97Very high3 Ų339.1 Ų39.12%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-133.5133.3170.358.50000107.8C222 D224 A234 L242 M264 L277 F278 T279C222-V267 HydrophobicContact CB-CG1 4.3Å; D224-V267 HydrophobicContact CB-CG1 4.3Å; D224-V267 WeakPolarHBondContact CB-O 3.48Å; A234-V267 HydrophobicContact CB-CG1 4.39Å; A234-V267 HydrophobicContact CB-CG2 3.77Å; L242-V267 HydrophobicContact CD1-CG2 4Å; M264-V267 HydrophobicContact SD-CB 4.39Å; V267-L277 HydrophobicContact CG2-CD1 3.89Å; V267-L277 HydrophobicContact CG2-CD2 3.92Å; V267-L277 HydrophobicContact CG2-CG 4Å; V267-F278 CarbonylContact C-O 3.54Å; V267-F278 WeakPolarHBondContact CA-O 3.2Å; V267-T279 HydrophobicContact CB-CG2 4.16Å; V267-T279 HydrophobicContact CG2-CG2 3.92Å
268H98.8Very high97.2Very high29 Ų2937 Ų3713%0.13419%0.192CC..EExtended strand (participates in β ladder)trans-139.1126.8177.3-66.5-87.8000110.8D224 E266 L277 F278 L356 V358D224-H268 WeakPolarHBondContact OD2-CA 3.27Å; E266-H268 IonicContact OE2-CD2 3.1Å; E266-H268 IonicContact OE2-CE1 2.74Å; E266-H268 IonicContact OE2-NE2 2.65Å; E266-H268 PolarHBondContact OE2-NE2 2.98Å; H268-L277 CarbonylContact O-C 3.56Å; H268-L277 WeakPolarHBondContact O-CA 3.35Å; H268-F278 PolarHBondContact N-O 2.86Å; H268-F278 PolarHBondContact O-N 2.96Å; H268-L356 HydrophobicContact CB-CD1 4.14Å; H268-L356 VanDerWaalsContact CD2-CD1 3.48Å; H268-L356 WeakPolarHBondContact CD2-CD1 3.26Å; H268-L356 PolarHBondContact NE2-O 2.84Å; H268-V358 HydrophobicContact CB-CG2 4.45Å
269F98.6Very high97.4Very high5 Ų530.7 Ų30.72%0.02217%0.165CC..EExtended strand (participates in β ladder)trans-68.9141.5161.9-73-80.4000109.1D224 H226 V232 A234 P271 P274 L277 W330D224-F269 PolarHBondContact OD2-N 2.99Å; H226-F269 HydrophobicContact CB-CD2 4.27Å; H226-F269 HydrophobicContact CB-CE2 4.08Å; H226-F269 HydrophobicContact CB-CZ 4.23Å; H226-F269 AromaticContact CD2-CE1 3.87Å; V232-F269 HydrophobicContact CG1-CZ 4.5Å; A234-F269 HydrophobicContact CB-CE2 3.6Å; A234-F269 HydrophobicContact CB-CZ 3.8Å; F269-P271 WeakPolarHBondContact O-CD 3.48Å; F269-P274 HydrophobicContact CB-CB 4.39Å; F269-P274 HydrophobicContact CD1-CB 4.25Å; F269-L277 HydrophobicContact CD1-CB 4.42Å; F269-L277 HydrophobicContact CD1-CD1 3.98Å; F269-L277 HydrophobicContact CE1-CD1 3.69Å; F269-L277 HydrophobicContact CE2-CD1 4.38Å; F269-L277 HydrophobicContact CG-CD1 4.44Å; F269-L277 HydrophobicContact CZ-CD1 3.92Å; F269-W330 AromaticContact CE1-CD1 3.68Å; F269-W330 HydrophobicContact CE1-CD2 4.39Å; F269-W330 HydrophobicContact CE1-CG 4.09Å; F269-W330 AromaticContact CE1-NE1 3.72Å
270H98.1Very high97.5Very high5 Ų530.4 Ų30.42%0.02316%0.163CC..  trans-64.3123.9171.4-178.1-102.8000110S272 N273 H276 F278 G360H270-S272 VanDerWaalsContact C-N 3.32Å; H270-S272 PolarHBondContact CE1-OG 2.8Å; H270-S272 PolarHBondContact O-N 3.09Å; H270-S272 VanDerWaalsContact O-N 3.16Å; H270-N273 WeakPolarHBondContact CB-O 3.11Å; H270-N273 WeakPolarHBondContact ND1-CB 3.31Å; H270-N273 PolarHBondContact ND1-N 2.99Å; H270-N273 PolarHBondContact ND1-O 2.95Å; H270-N273 CarbonylContact O-C 3.55Å; H270-N273 PolarHBondContact O-N 3.1Å; H270-H276 HydrophobicContact CB-CB 3.89Å; H270-H276 WeakPolarHBondContact CB-O 3.49Å; H270-H276 PolarHBondContact N-O 2.84Å; H270-F278 HydrophobicContact CB-CE2 4.03Å; H270-G360 PolarHBondContact NE2-O 3.01Å
271P96.4Very high97.6Very high62 Ų6230.2 Ų30.240%0.40316%0.162SC..SBendtrans-60.5-34.5-165.7-28.934.5000115.3F269 V358F269-P271 WeakPolarHBondContact O-CD 3.48Å; P271-V358 WeakPolarHBondContact CD-O 3.22Å
272S94.7Very high97.6Very high92 Ų9226.8 Ų26.864%0.64315%0.145SC*.SBendtrans-103.1-20.3-17759.30000114.3H270H270-S272 VanDerWaalsContact C-N 3.32Å; H270-S272 PolarHBondContact CE1-OG 2.8Å; H270-S272 PolarHBondContact O-N 3.09Å; H270-S272 VanDerWaalsContact O-N 3.16Å
273N94.9Very high97.6Very high61 Ų6128.6 Ų28.633%0.32615%0.153SC..  trans-137.478.9178.9-174.811.9000110.3H270 D275 H276H270-N273 WeakPolarHBondContact CB-O 3.11Å; H270-N273 WeakPolarHBondContact ND1-CB 3.31Å; H270-N273 PolarHBondContact ND1-N 2.99Å; H270-N273 PolarHBondContact ND1-O 2.95Å; H270-N273 CarbonylContact O-C 3.55Å; H270-N273 PolarHBondContact O-N 3.1Å; N273-D275 PolarHBondContact O-N 2.91Å; N273-H276 PolarHBondContact ND2-CD2 3.03Å; N273-H276 PolarHBondContact ND2-NE2 2.94Å; N273-H276 PolarHBondContact O-N 2.65Å
274P95.2Very high97.6Very high10 Ų1026.7 Ų26.77%0.06515%0.145CC..THydrogen-bonded Turntrans-74.76.9-170.132.8-38000114.6H226 P227 F269 H276 W330H226-P274 WeakPolarHBondContact CE1-CG 3.31Å; P227-P274 HydrophobicContact CG-CB 3.65Å; P227-P274 HydrophobicContact CG-CG 3.97Å; F269-P274 HydrophobicContact CB-CB 4.39Å; F269-P274 HydrophobicContact CD1-CB 4.25Å; P274-H276 PolarHBondContact O-N 2.83Å; P274-W330 PolarHBondContact O-NE1 3.09Å
275D93.6Very high97.5Very high54 Ų5427.5 Ų27.529%0.28915%0.15SC..THydrogen-bonded Turntrans-67.6-19.1162-71.2-30.8000111.3N273 A291 S329 W330N273-D275 PolarHBondContact O-N 2.91Å; D275-A291 PolarHBondContact O-N 2.61Å; D275-S329 PolarHBondContact OD1-OG 3.44Å; D275-W330 WeakPolarHBondContact O-CZ2 3.46Å
276H96.3Very high97.5Very high17 Ų1723.9 Ų23.98%0.07914%0.137CC..EExtended strand (participates in β ladder)trans-96.4139.8168.2-52.5-64.8000111.6H270 N273 P274 F278 H288 W289 D290 F379H270-H276 HydrophobicContact CB-CB 3.89Å; H270-H276 WeakPolarHBondContact CB-O 3.49Å; H270-H276 PolarHBondContact N-O 2.84Å; N273-H276 PolarHBondContact ND2-CD2 3.03Å; N273-H276 PolarHBondContact ND2-NE2 2.94Å; N273-H276 PolarHBondContact O-N 2.65Å; P274-H276 PolarHBondContact O-N 2.83Å; H276-F278 HydrophobicContact CB-CE2 4.31Å; H276-H288 AromaticContact CG-NE2 3.61Å; H276-H288 AromaticContact ND1-CE1 3.84Å; H276-H288 AromaticContact ND1-NE2 3.17Å; H276-H288 PolarHBondContact ND1-NE2 2.86Å; H276-H288 VanDerWaalsContact ND1-NE2 3.17Å; H276-W289 CarbonylContact C-O 3.54Å; H276-W289 VanDerWaalsContact CA-O 3.26Å; H276-W289 WeakPolarHBondContact CA-O 3.43Å; H276-D290 VanDerWaalsContact CE1-CG 3.45Å; H276-D290 IonicContact CE1-OD1 3.73Å; H276-D290 PolarHBondContact CE1-OD1 2.86Å; H276-D290 IonicContact CE1-OD2 3.17Å; H276-D290 PolarHBondContact CE1-OD2 2.82Å; H276-D290 VanDerWaalsContact CE1-OD2 3.26Å; H276-D290 IonicContact ND1-OD1 2.86Å; H276-D290 PolarHBondContact ND1-OD1 3.23Å; H276-D290 IonicContact ND1-OD2 3.62Å; H276-F379 AromaticContact CD2-CE1 3.85Å; H276-F379 AromaticContact CD2-CZ 3.95Å; H276-F379 AromaticContact NE2-CE1 3.84Å
277L98.1Very high97.4Very high0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-137.2148.4175.8176.6151.7000109.4A234 L242 I244 V267 H268 F269 T279 W289 W330A234-L277 HydrophobicContact CB-CD1 3.97Å; L242-L277 HydrophobicContact CD1-CD2 4.47Å; L242-L277 HydrophobicContact CD2-CD2 3.86Å; I244-L277 HydrophobicContact CD1-CD1 4.5Å; V267-L277 HydrophobicContact CG2-CD1 3.89Å; V267-L277 HydrophobicContact CG2-CD2 3.92Å; V267-L277 HydrophobicContact CG2-CG 4Å; H268-L277 CarbonylContact O-C 3.56Å; H268-L277 WeakPolarHBondContact O-CA 3.35Å; F269-L277 HydrophobicContact CD1-CB 4.42Å; F269-L277 HydrophobicContact CD1-CD1 3.98Å; F269-L277 HydrophobicContact CE1-CD1 3.69Å; F269-L277 HydrophobicContact CE2-CD1 4.38Å; F269-L277 HydrophobicContact CG-CD1 4.44Å; F269-L277 HydrophobicContact CZ-CD1 3.92Å; L277-T279 HydrophobicContact CD2-CG2 3.6Å; L277-W289 HydrophobicContact CB-CB 4.34Å; L277-W289 HydrophobicContact CD2-CB 4.36Å; L277-W289 HydrophobicContact CD2-CG 3.96Å; L277-W289 PolarHBondContact N-O 3.07Å; L277-W289 WeakPolarHBondContact O-CB 3.36Å; L277-W289 PolarHBondContact O-N 3.13Å; L277-W330 HydrophobicContact CB-CH2 3.78Å; L277-W330 HydrophobicContact CB-CZ2 3.47Å; L277-W330 VanDerWaalsContact CB-CZ2 3.47Å; L277-W330 HydrophobicContact CD1-CH2 4.47Å; L277-W330 HydrophobicContact CD1-CZ2 4.42Å
278F98.7Very high97.4Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-126.2139.7-179-60-93.1000110.5V267 H268 H270 H276 W287 H288 L345 L356 V358 L363 L378V267-F278 CarbonylContact C-O 3.54Å; V267-F278 WeakPolarHBondContact CA-O 3.2Å; H268-F278 PolarHBondContact N-O 2.86Å; H268-F278 PolarHBondContact O-N 2.96Å; H270-F278 HydrophobicContact CB-CE2 4.03Å; H276-F278 HydrophobicContact CB-CE2 4.31Å; F278-W287 VanDerWaalsContact CA-O 3.3Å; F278-W287 WeakPolarHBondContact CA-O 3.41Å; F278-H288 HydrophobicContact CD1-CB 3.91Å; F278-H288 HydrophobicContact CE1-CB 3.71Å; F278-H288 AromaticContact CE1-CD2 3.45Å; F278-H288 VanDerWaalsContact CE1-CD2 3.45Å; F278-H288 WeakPolarHBondContact CE1-CD2 2.86Å; F278-H288 AromaticContact CE1-CG 3.72Å; F278-H288 AromaticContact CZ-CD2 3.58Å; F278-L345 HydrophobicContact CD1-CD1 4.47Å; F278-L345 HydrophobicContact CE1-CD1 4.31Å; F278-L356 HydrophobicContact CB-CD1 3.75Å; F278-L356 HydrophobicContact CB-CD2 3.97Å; F278-V358 HydrophobicContact CD1-CG1 4.22Å; F278-V358 HydrophobicContact CD2-CB 4.21Å; F278-V358 HydrophobicContact CD2-CG1 3.71Å; F278-V358 HydrophobicContact CD2-CG2 3.73Å; F278-V358 HydrophobicContact CE1-CG1 4.31Å; F278-V358 HydrophobicContact CE2-CB 4.15Å; F278-V358 HydrophobicContact CE2-CG1 3.81Å; F278-V358 HydrophobicContact CE2-CG2 3.97Å; F278-V358 HydrophobicContact CG-CG1 3.91Å; F278-V358 HydrophobicContact CZ-CG1 4.12Å; F278-L363 HydrophobicContact CD1-CD1 3.82Å; F278-L363 HydrophobicContact CE1-CD1 3.96Å; F278-L378 HydrophobicContact CE1-CD1 4.2Å; F278-L378 HydrophobicContact CE1-CD2 4.34Å; F278-L378 HydrophobicContact CZ-CD1 3.9Å
279T98.8Very high97.3Very high0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-134.2147.3175.958.30000111.1L242 H260 M264 E266 V267 L277 L286 W287 W289L242-T279 HydrophobicContact CD1-CG2 4.46Å; H260-T279 WeakPolarHBondContact NE2-CB 3.21Å; H260-T279 PolarHBondContact NE2-OG1 3.19Å; M264-T279 HydrophobicContact CE-CG2 3.89Å; M264-T279 HydrophobicContact SD-CG2 3.56Å; M264-T279 VanDerWaalsContact SD-CG2 3.56Å; E266-T279 WeakPolarHBondContact O-CA 3.27Å; V267-T279 HydrophobicContact CB-CG2 4.16Å; V267-T279 HydrophobicContact CG2-CG2 3.92Å; L277-T279 HydrophobicContact CD2-CG2 3.6Å; T279-L286 CarbonylContact O-C 3.57Å; T279-L286 WeakPolarHBondContact O-CA 3.37Å; T279-W287 PolarHBondContact N-O 3.47Å; T279-W287 PolarHBondContact O-N 2.77Å; T279-W289 PolarHBondContact OG1-NE1 3Å
280C98.7Very high97Very high0 Ų027.2 Ų27.20%015%0.15CC..EExtended strand (participates in β ladder)trans-131158.2171.664.70000112.1M264 W265 E266 S285 L286 V353 L356M264-C280 WeakPolarHBondContact CA-O 3.34Å; W265-C280 PolarHBondContact N-O 3.4Å; E266-C280 PolarHBondContact O-N 3.15Å; E266-C280 VanDerWaalsContact O-N 3.15Å; C280-S285 WeakPolarHBondContact CA-O 3.12Å; C280-L286 HydrophobicContact CB-CG 4.45Å; C280-V353 HydrophobicContact CB-CB 3.86Å; C280-V353 HydrophobicContact CB-CG1 3.51Å; C280-V353 WeakPolarHBondContact CB-O 3.49Å; C280-V353 PolarHBondContact SG-O 2.95Å; C280-L356 HydrophobicContact CB-CD2 3.82Å
281S98.7Very high96.7Very high0 Ų027.3 Ų27.30%015%0.152CC..EExtended strand (participates in β ladder)trans-143.1155.9-164.3177.80000113.9H260 E263 D283 G284 S285 V353H260-S281 WeakPolarHBondContact CB-OG 3.39Å; E263-S281 CarbonylContact O-C 3.14Å; E263-S281 VanDerWaalsContact O-CA 3.25Å; E263-S281 WeakPolarHBondContact O-CA 2.93Å; E263-S281 PolarHBondContact O-OG 3.38Å; S281-D283 VanDerWaalsContact CB-OD1 3.22Å; S281-D283 WeakPolarHBondContact CB-OD1 3.42Å; S281-D283 PolarHBondContact O-N 3.14Å; S281-D283 PolarHBondContact OG-N 3.47Å; S281-D283 VanDerWaalsContact OG-N 3.13Å; S281-D283 PolarHBondContact OG-OD1 3.11Å; S281-D283 VanDerWaalsContact OG-OD1 3.1Å; S281-D283 PolarHBondContact OG-OD2 3.08Å; S281-D283 VanDerWaalsContact OG-OD2 3.13Å; S281-G284 PolarHBondContact O-N 2.76Å; S281-G284 VanDerWaalsContact O-N 3.15Å; S281-S285 PolarHBondContact N-O 2.73Å; S281-S285 VanDerWaalsContact N-O 3.11Å; S281-V353 PolarHBondContact O-N 3.08Å
282E98.6Very high96.2Very high75 Ų7526.5 Ų26.535%0.3515%0.148SC..THydrogen-bonded Turntrans-58.6-27.6168-175.259.1-153.100112.8A262 E263 W265 G284 S352A262-E282 HydrophobicContact CB-CB 3.86Å; A262-E282 HydrophobicContact CB-CG 4.35Å; E263-E282 HydrophobicContact CB-CB 4.08Å; E263-E282 PolarHBondContact O-N 3.01Å; W265-E282 HydrophobicContact CZ2-CB 4.26Å; W265-E282 HydrophobicContact CZ2-CG 4.5Å; W265-E282 PolarHBondContact NE1-OE2 3.23Å; E282-G284 PolarHBondContact O-N 2.73Å; E282-G284 VanDerWaalsContact O-N 3.08Å; E282-S352 WeakPolarHBondContact CA-OG 3.47Å; E282-S352 WeakPolarHBondContact OE2-CB 3.43Å; E282-S352 PolarHBondContact OE2-OG 3.33Å
283D97.6Very high94.9Very high59 Ų5926.3 Ų26.332%0.31614%0.143SC..THydrogen-bonded Turntrans-70.8-1.4176.866.625.6000114.1H260 E261 A262 S281 S285H260-D283 WeakPolarHBondContact CB-OD2 3.36Å; H260-D283 IonicContact CG-OD2 3.02Å; E261-D283 PolarHBondContact N-OD2 2.83Å; A262-D283 HydrophobicContact CB-CB 3.93Å; S281-D283 VanDerWaalsContact CB-OD1 3.22Å; S281-D283 WeakPolarHBondContact CB-OD1 3.42Å; S281-D283 PolarHBondContact O-N 3.14Å; S281-D283 PolarHBondContact OG-N 3.47Å; S281-D283 VanDerWaalsContact OG-N 3.13Å; S281-D283 PolarHBondContact OG-OD1 3.11Å; S281-D283 VanDerWaalsContact OG-OD1 3.1Å; S281-D283 PolarHBondContact OG-OD2 3.08Å; S281-D283 VanDerWaalsContact OG-OD2 3.13Å; D283-S285 WeakPolarHBondContact OD1-CB 3.12Å; D283-S285 PolarHBondContact OD1-N 3.14Å; D283-S285 PolarHBondContact OD1-OG 3.26Å
284G97.7Very high92.8Very high4 Ų430.4 Ų30.44%0.04117%0.165CC..SBendtrans86.67.217800000114.3S281 E282 S350 L351 V353S281-G284 PolarHBondContact O-N 2.76Å; S281-G284 VanDerWaalsContact O-N 3.15Å; E282-G284 PolarHBondContact O-N 2.73Å; E282-G284 VanDerWaalsContact O-N 3.08Å; G284-S350 WeakPolarHBondContact O-CB 3.41Å; G284-L351 VanDerWaalsContact CA-O 3.26Å; G284-L351 WeakPolarHBondContact CA-O 3.39Å; G284-V353 WeakPolarHBondContact O-CG2 3.4Å
285S97.5Very high90.4Very high16 Ų1635 Ų3511%0.11219%0.193CC..  trans-93.2149.8177.672.60000113.3H260 C280 S281 D283 W287H260-S285 PolarHBondContact CE1-OG 3.26Å; H260-S285 VanDerWaalsContact CE1-OG 3.27Å; H260-S285 PolarHBondContact ND1-OG 2.97Å; H260-S285 VanDerWaalsContact ND1-OG 3.07Å; C280-S285 WeakPolarHBondContact CA-O 3.12Å; S281-S285 PolarHBondContact N-O 2.73Å; S281-S285 VanDerWaalsContact N-O 3.11Å; D283-S285 WeakPolarHBondContact OD1-CB 3.12Å; D283-S285 PolarHBondContact OD1-N 3.14Å; D283-S285 PolarHBondContact OD1-OG 3.26Å; S285-W287 PolarHBondContact OG-NE1 2.89Å
286L98.1Very high87.7Confident0 Ų036.7 Ų36.70%021%0.206CC..EExtended strand (participates in β ladder)trans-128119.3167.2-172.6156.9000107.3T279 C280 S344 L345 L346 V353 L356 L363 C365T279-L286 CarbonylContact O-C 3.57Å; T279-L286 WeakPolarHBondContact O-CA 3.37Å; C280-L286 HydrophobicContact CB-CG 4.45Å; L286-S344 WeakPolarHBondContact O-CA 3.38Å; L286-L345 HydrophobicContact CD2-CB 3.87Å; L286-L345 HydrophobicContact CD2-CD1 3.59Å; L286-L345 HydrophobicContact CD2-CG 3.98Å; L286-L345 PolarHBondContact O-N 3.4Å; L286-L346 HydrophobicContact CB-CD1 3.75Å; L286-L346 HydrophobicContact CB-CG 3.92Å; L286-L346 HydrophobicContact CD1-CD1 4.49Å; L286-V353 HydrophobicContact CB-CG1 4.44Å; L286-V353 HydrophobicContact CD1-CG1 4.23Å; L286-L356 HydrophobicContact CD1-CB 3.94Å; L286-L356 HydrophobicContact CD1-CD2 4.18Å; L286-L356 HydrophobicContact CG-CD2 4.21Å; L286-L363 HydrophobicContact CD1-CD1 4.47Å; L286-L363 HydrophobicContact CD1-CD2 4.09Å; L286-L363 HydrophobicContact CD2-CD1 3.89Å; L286-C365 HydrophobicContact CD1-CB 3.5Å; L286-C365 VanDerWaalsContact CD1-CB 3.5Å; L286-C365 VanDerWaalsContact CD1-SG 3.58Å
287W97.9Very high85Confident55 Ų5544.6 Ų44.621%0.20824%0.244CC..EExtended strand (participates in β ladder)trans-111.8136.4-175.5-71.614.4000111.2A259 H260 F278 T279 S285 W289 I342 T343A259-W287 HydrophobicContact CB-CE3 4.46Å; A259-W287 HydrophobicContact CB-CZ3 4.28Å; A259-W287 WeakPolarHBondContact O-CH2 3.35Å; A259-W287 VanDerWaalsContact O-CZ3 3.26Å; A259-W287 WeakPolarHBondContact O-CZ3 3.49Å; H260-W287 AromaticContact CE1-CD1 3.82Å; H260-W287 AromaticContact CE1-CD2 3.62Å; H260-W287 AromaticContact CE1-CE2 3.93Å; H260-W287 AromaticContact CE1-CG 3.57Å; H260-W287 AromaticContact CE1-NE1 3.98Å; H260-W287 AromaticContact ND1-CD2 3.91Å; H260-W287 AromaticContact ND1-CE2 3.83Å; F278-W287 VanDerWaalsContact CA-O 3.3Å; F278-W287 WeakPolarHBondContact CA-O 3.41Å; T279-W287 PolarHBondContact N-O 3.47Å; T279-W287 PolarHBondContact O-N 2.77Å; S285-W287 PolarHBondContact OG-NE1 2.89Å; W287-W289 AromaticContact CE3-CE2 3.95Å; W287-W289 HydrophobicContact CE3-CH2 4.03Å; W287-W289 AromaticContact CE3-CZ2 3.43Å; W287-W289 HydrophobicContact CE3-CZ2 3.43Å; W287-W289 VanDerWaalsContact CE3-CZ2 3.43Å; W287-W289 HydrophobicContact CZ3-CH2 4.06Å; W287-W289 AromaticContact CZ3-CZ2 3.9Å; W287-W289 HydrophobicContact CZ3-CZ2 3.9Å; W287-I342 HydrophobicContact CB-CG2 4.31Å; W287-I342 HydrophobicContact CD2-CG2 3.73Å; W287-I342 HydrophobicContact CE3-CG2 3.28Å; W287-I342 HydrophobicContact CG-CG2 4.17Å; W287-I342 HydrophobicContact CZ3-CD1 4.26Å; W287-I342 HydrophobicContact CZ3-CG2 3.79Å; W287-T343 WeakPolarHBondContact CA-O 3.35Å
288H97.8Very high81.9Confident24 Ų2453.4 Ų53.411%0.11128%0.282CS..EExtended strand (participates in β ladder)trans-99.3127.5164.4168.5-136.3000108.7H276 F278 I342 T343 L345H276-H288 AromaticContact CG-NE2 3.61Å; H276-H288 AromaticContact ND1-CE1 3.84Å; H276-H288 AromaticContact ND1-NE2 3.17Å; H276-H288 PolarHBondContact ND1-NE2 2.86Å; H276-H288 VanDerWaalsContact ND1-NE2 3.17Å; F278-H288 HydrophobicContact CD1-CB 3.91Å; F278-H288 HydrophobicContact CE1-CB 3.71Å; F278-H288 AromaticContact CE1-CD2 3.45Å; F278-H288 VanDerWaalsContact CE1-CD2 3.45Å; F278-H288 WeakPolarHBondContact CE1-CD2 2.86Å; F278-H288 AromaticContact CE1-CG 3.72Å; F278-H288 AromaticContact CZ-CD2 3.58Å; H288-I342 WeakPolarHBondContact O-CA 3.23Å; H288-T343 PolarHBondContact N-O 2.92Å; H288-T343 PolarHBondContact O-N 2.8Å; H288-L345 HydrophobicContact CB-CD1 3.98Å; H288-L345 HydrophobicContact CB-CD2 4.27Å; H288-L345 HydrophobicContact CB-CG 4.13Å
289W96.8Very high78.8Confident4 Ų457.6 Ų57.62%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-111.4128.2177.4-53.867.9000108.9L242 L257 A259 H276 L277 T279 W287 W330 I340 E341 I342L242-W289 HydrophobicContact CD2-CD2 4.17Å; L242-W289 HydrophobicContact CD2-CE3 4.25Å; L242-W289 HydrophobicContact CD2-CH2 4.33Å; L242-W289 HydrophobicContact CD2-CZ2 4.22Å; L242-W289 HydrophobicContact CD2-CZ3 4.32Å; L257-W289 HydrophobicContact CB-CZ3 4.35Å; L257-W289 HydrophobicContact CD1-CZ3 4.18Å; A259-W289 HydrophobicContact CB-CH2 3.59Å; A259-W289 HydrophobicContact CB-CZ2 3.34Å; H276-W289 CarbonylContact C-O 3.54Å; H276-W289 VanDerWaalsContact CA-O 3.26Å; H276-W289 WeakPolarHBondContact CA-O 3.43Å; L277-W289 HydrophobicContact CB-CB 4.34Å; L277-W289 HydrophobicContact CD2-CB 4.36Å; L277-W289 HydrophobicContact CD2-CG 3.96Å; L277-W289 PolarHBondContact N-O 3.07Å; L277-W289 WeakPolarHBondContact O-CB 3.36Å; L277-W289 PolarHBondContact O-N 3.13Å; T279-W289 PolarHBondContact OG1-NE1 3Å; W287-W289 AromaticContact CE3-CE2 3.95Å; W287-W289 HydrophobicContact CE3-CH2 4.03Å; W287-W289 AromaticContact CE3-CZ2 3.43Å; W287-W289 HydrophobicContact CE3-CZ2 3.43Å; W287-W289 VanDerWaalsContact CE3-CZ2 3.43Å; W287-W289 HydrophobicContact CZ3-CH2 4.06Å; W287-W289 AromaticContact CZ3-CZ2 3.9Å; W287-W289 HydrophobicContact CZ3-CZ2 3.9Å; W289-W330 HydrophobicContact CB-CH2 3.62Å; W289-W330 HydrophobicContact CB-CZ2 4.41Å; W289-W330 HydrophobicContact CG-CH2 4.43Å; W289-I340 HydrophobicContact CB-CG2 4.25Å; W289-I340 HydrophobicContact CE3-CG2 3.88Å; W289-E341 CarbonylContact C-O 3.54Å; W289-E341 WeakPolarHBondContact CA-O 3.49Å; W289-I342 HydrophobicContact CD2-CD1 4.39Å; W289-I342 HydrophobicContact CD2-CG1 4.15Å; W289-I342 HydrophobicContact CE3-CD1 3.67Å; W289-I342 HydrophobicContact CE3-CG1 3.69Å; W289-I342 HydrophobicContact CH2-CD1 3.75Å; W289-I342 HydrophobicContact CZ2-CD1 4.46Å; W289-I342 HydrophobicContact CZ3-CD1 3.32Å; W289-I342 HydrophobicContact CZ3-CG1 3.92Å
290D93.8Very high75.7Confident33 Ų3362.9 Ų62.918%0.17635%0.348CS..EExtended strand (participates in β ladder)trans-117.8106177.6-169.7-11.1000109.7H276 S292 I340 E341H276-D290 VanDerWaalsContact CE1-CG 3.45Å; H276-D290 IonicContact CE1-OD1 3.73Å; H276-D290 PolarHBondContact CE1-OD1 2.86Å; H276-D290 IonicContact CE1-OD2 3.17Å; H276-D290 PolarHBondContact CE1-OD2 2.82Å; H276-D290 VanDerWaalsContact CE1-OD2 3.26Å; H276-D290 IonicContact ND1-OD1 2.86Å; H276-D290 PolarHBondContact ND1-OD1 3.23Å; H276-D290 IonicContact ND1-OD2 3.62Å; D290-S292 WeakPolarHBondContact OD1-CB 3.17Å; D290-S292 PolarHBondContact OD1-N 3.27Å; D290-S292 PolarHBondContact OD1-OG 3.11Å; D290-S292 PolarHBondContact OD2-OG 3.1Å; D290-I340 CarbonylContact O-C 3.48Å; D290-I340 WeakPolarHBondContact O-CA 3.42Å; D290-E341 HydrophobicContact CB-CB 4.38Å; D290-E341 PolarHBondContact N-O 3.47Å; D290-E341 PolarHBondContact O-N 3.15Å
291A90.6Very high72.8Confident8 Ų869.6 Ų69.67%0.06638%0.383CS..  trans-96.911.8175.400000112.4D275 T293 S329 W330 I340D275-A291 PolarHBondContact O-N 2.61Å; A291-T293 PolarHBondContact O-N 2.9Å; A291-S329 VanDerWaalsContact O-CB 3.31Å; A291-S329 WeakPolarHBondContact O-CB 3.18Å; A291-W330 HydrophobicContact CB-CD2 4.05Å; A291-W330 HydrophobicContact CB-CE3 4.34Å; A291-W330 HydrophobicContact CB-CH2 3.91Å; A291-W330 HydrophobicContact CB-CZ2 3.59Å; A291-W330 HydrophobicContact CB-CZ3 4.28Å; A291-I340 HydrophobicContact CB-CG1 4.18Å
292S85.4Confident69.8Low45 Ų4578.6 Ų78.632%0.31542%0.423SS..  trans-62.7126.2176.268.50000109.4D290 D294D290-S292 WeakPolarHBondContact OD1-CB 3.17Å; D290-S292 PolarHBondContact OD1-N 3.27Å; D290-S292 PolarHBondContact OD1-OG 3.11Å; D290-S292 PolarHBondContact OD2-OG 3.1Å; S292-D294 PolarHBondContact O-N 3.13Å
293T67.3Low66.8Low87 Ų8783.7 Ų83.753%0.53445%0.446SS..  trans-72.597.8175.153.30000108A291 V295A291-T293 PolarHBondContact O-N 2.9Å; T293-V295 PolarHBondContact O-N 3.26Å
294D51.5Low63.6Low147 Ų14789.9 Ų89.979%0.78647%0.473SS*.  trans-66.692.1160.9-150.519000105.4S292 P296S292-D294 PolarHBondContact O-N 3.13Å; D294-P296 VanDerWaalsContact C-CD 3.45Å; D294-P296 WeakPolarHBondContact O-CD 3.4Å
295V43.9Very low60.3Low107 Ų10793.9 Ų93.965%0.64852%0.515SS*.  trans-78.898.6163.8-179.40000103.5T293 E297T293-V295 PolarHBondContact O-N 3.26Å; V295-E297 VanDerWaalsContact C-N 3.35Å; V295-E297 PolarHBondContact O-N 2.91Å
296P38.5Very low57Low89 Ų8996.1 Ų96.158%0.57854%0.54SS*.  trans-58.5114.2161.424.6-30.4000104.2D294 K298D294-P296 VanDerWaalsContact C-CD 3.45Å; D294-P296 WeakPolarHBondContact O-CD 3.4Å; P296-K298 PolarHBondContact O-N 2.64Å
297E38.1Very low53.8Low184 Ų184107.4 Ų107.486%0.8658%0.583SS**  trans-54.590157-77.5-166.2162.200104.8V295 S299V295-E297 VanDerWaalsContact C-N 3.35Å; V295-E297 PolarHBondContact O-N 2.91Å; E297-S299 PolarHBondContact O-N 2.74Å
298K33Very low50.6Low185 Ų185110.2 Ų110.280%0.80461%0.61SS**  trans-60.194.8161.4-94.4-176.5176.4173.30103.1P296 S300P296-K298 PolarHBondContact O-N 2.64Å; K298-S300 VanDerWaalsContact C-N 3.26Å; K298-S300 PolarHBondContact O-N 3.46Å
299S35.1Very low47.3Very low88 Ų88114.2 Ų114.262%0.61564%0.641SS**  trans-42.3102.6160.449.40000105.7E297 L301E297-S299 PolarHBondContact O-N 2.74Å; S299-L301 PolarHBondContact O-N 2.98Å
300S33.3Very low44.1Very low111 Ų111120.3 Ų120.378%0.77668%0.679SS**  trans-73.767.317437.80000106.4K298 F302K298-S300 VanDerWaalsContact C-N 3.26Å; K298-S300 PolarHBondContact O-N 3.46Å; S300-F302 PolarHBondContact O-N 3.4Å
301L37.3Very low41.2Very low141 Ų141128.7 Ų128.774%0.73871%0.714SS**  trans-76.830.6170.5-76.3174000111.8S299S299-L301 PolarHBondContact O-N 2.98Å
302F35Very low38.2Very low189 Ų189135.7 Ų135.783%0.82975%0.75SS**  trans-133.378.3165.4-67.6-74.3000107.8S300S300-F302 PolarHBondContact O-N 3.4Å
303H36.5Very low35.7Very low182 Ų182138.5 Ų138.584%0.84377%0.77SS**  trans-169.495.2132.2-100.548.4000108
304Q30.3Very low33.9Very low189 Ų189141.5 Ų141.588%0.88378%0.777SS**  trans-164.193.9141.7-109-178.424.200110.8
305G28.6Very low33.2Very low88 Ų88140.1 Ų140.191%0.90778%0.779SS**  trans-96.4115.9134.500000107.5
306G28.4Very low32.4Very low63 Ų63141.7 Ų141.765%0.64978%0.783SS**SBendtrans122.673.8158.400000118.5
307R31.6Very low32.2Very low237 Ų237142 Ų14289%0.89479%0.787SS**  trans47.3130.8132.7-56.4179.288.9166.95.4121.5
308S30Very low31.8Very low113 Ų113140.7 Ų140.779%0.7979%0.786SS**  trans82100.7144.8-71.10000119.3
309S28.3Very low31.6Very low109 Ų109140.6 Ų140.676%0.76279%0.788SS**  -178.3122.3109.4590000112.2
310T29.5Very low31.5Very low132 Ų132140.2 Ų140.281%0.8179%0.791SS**  trans24.3124.5143.752.30000121.1
311F33.3Very low31.3Very low208 Ų208141.8 Ų141.891%0.91279%0.79SS**  trans-39.3138.5161.6-69-94.8000115.1
312L26.3Very low31.1Very low155 Ų155141.6 Ų141.681%0.81280%0.795SS**  trans-152.2117.5134.2-99166.5000108.7H314L312-H314 PolarHBondContact O-N 2.8Å
313S34.1Very low30.7Very low105 Ų105141.4 Ų141.473%0.73480%0.796SS**  trans-66.4118166.151.80000109.5
314H28.7Very low30.7Very low150 Ų150140.7 Ų140.769%0.69479%0.793SS**  trans-142121.6153.9-89.9-64.6000109.6L312 I316L312-H314 PolarHBondContact O-N 2.8Å; H314-I316 PolarHBondContact O-N 3.27Å
315S37.9Very low31.2Very low118 Ų118136.6 Ų136.683%0.82579%0.785SS**  trans-40.3105.6158.248.40000110.7
316I27.6Very low32.6Very low140 Ų140138.3 Ų138.372%0.71878%0.778SS**  trans-112.5108.5163.1-62.9176.7000105.9H314 N318H314-I316 PolarHBondContact O-N 3.27Å; I316-N318 PolarHBondContact O-N 2.89Å; I316-N318 VanDerWaalsContact O-N 3.16Å
317S32.6Very low34.4Very low95 Ų95140.7 Ų140.766%0.66477%0.774SS**  trans-36.7110.4160.447.70000111.5Q319S317-Q319 PolarHBondContact O-N 2.91Å
318N30.4Very low36.5Very low157 Ų157129.6 Ų129.684%0.8473%0.733SS**  trans-73.279.4161.3-86.4-11.5000108.6I316 A320I316-N318 PolarHBondContact O-N 2.89Å; I316-N318 VanDerWaalsContact O-N 3.16Å; N318-A320 PolarHBondContact O-N 2.92Å; N318-A320 VanDerWaalsContact O-N 3.17Å
319Q29.2Very low38.9Very low182 Ų182125.5 Ų125.585%0.8571%0.705SS**  trans-73.581.3148.3-78.5-175.9-20.600107.2S317S317-Q319 PolarHBondContact O-N 2.91Å
320A32Very low41.7Very low81 Ų81120.6 Ų120.667%0.66967%0.67SS**  trans-94.4105.216800000108.5N318N318-A320 PolarHBondContact O-N 2.92Å; N318-A320 VanDerWaalsContact O-N 3.17Å
321N29.8Very low44.3Very low144 Ų144115 Ų11577%0.7764%0.635SS**  trans36.190.8158.3-88.3-23.5000118.7H323N321-H323 PolarHBondContact O-N 2.89Å
322V33.5Very low46.4Very low137 Ų137106.4 Ų106.483%0.8360%0.6SS**THydrogen-bonded Turntrans-75.823.3173.3-179.70000113.2
323H27.2Very low48.3Very low185 Ų185104.5 Ų104.586%0.85660%0.595SS**THydrogen-bonded Turntrans-140.926.7-177.4-83.1-66.6000115.7N321N321-H323 PolarHBondContact O-N 2.89Å
324Q36Very low49.7Very low166 Ų166102.5 Ų102.578%0.77658%0.576SS**  trans-92.9112155.9-113167.4-14.200107.2V326Q324-V326 PolarHBondContact O-N 2.75Å
325S40.7Very low51.1Low104 Ų104100.9 Ų100.973%0.72758%0.579SS**  trans-56.3109.9161.660.20000106I327S325-I327 VanDerWaalsContact C-N 3.31Å; S325-I327 PolarHBondContact O-N 3Å
326V57.2Low51.9Low123 Ų12399.7 Ų99.775%0.74558%0.576SS**  trans-62.8101.1175.6-178.40000105.6Q229 Q324 S328Q229-V326 PolarHBondContact NE2-O 3.49Å; Q324-V326 PolarHBondContact O-N 2.75Å; V326-S328 PolarHBondContact O-N 2.85Å
327I66.9Low53.2Low113 Ų11399.7 Ų99.758%0.57957%0.571SS**  trans-60.8132.7173.4-64.4173.6000105.5S325 S329 L331S325-I327 VanDerWaalsContact C-N 3.31Å; S325-I327 PolarHBondContact O-N 3Å; I327-S329 PolarHBondContact O-N 3.44Å; I327-L331 HydrophobicContact CG2-CB 3.78Å; I327-L331 HydrophobicContact CG2-CD1 4.38Å
328S74.7Confident54.5Low4 Ų498.2 Ų98.23%0.02856%0.556CS.*  trans-52.1138.2176.5-1700000109.5H226 Q229 V326 W330 L331H226-S328 PolarHBondContact NE2-OG 3.3Å; Q229-S328 VanDerWaalsContact NE2-CA 3.31Å; Q229-S328 VanDerWaalsContact NE2-CB 3.31Å; Q229-S328 VanDerWaalsContact NE2-N 3.13Å; V326-S328 PolarHBondContact O-N 2.85Å; S328-W330 PolarHBondContact O-N 2.75Å; S328-W330 PolarHBondContact OG-N 3.31Å; S328-L331 PolarHBondContact O-N 3.23Å
329S81.4Confident56.6Low28 Ų2899.7 Ų99.720%0.19655%0.55CS..G310 helixtrans-50.1-37.7170.945.70000111D275 A291 I327 L331 S332D275-S329 PolarHBondContact OD1-OG 3.44Å; A291-S329 VanDerWaalsContact O-CB 3.31Å; A291-S329 WeakPolarHBondContact O-CB 3.18Å; I327-S329 PolarHBondContact O-N 3.44Å; S329-L331 PolarHBondContact O-N 3.02Å; S329-S332 VanDerWaalsContact O-CB 3.25Å; S329-S332 WeakPolarHBondContact O-CB 3.22Å; S329-S332 PolarHBondContact O-N 2.89Å; S329-S332 VanDerWaalsContact O-N 3.09Å
330W87Confident59.4Low6 Ų693.5 Ų93.52%0.02352%0.522CS..G310 helixtrans-64.4-15.8175.8-59.1102.1000116.2I244 L257 F269 P274 D275 L277 W289 A291 S328 I340I244-W330 HydrophobicContact CD1-CE3 4.3Å; I244-W330 HydrophobicContact CG1-CE3 4.4Å; I244-W330 HydrophobicContact CG2-CB 4.13Å; L257-W330 HydrophobicContact CD1-CZ3 4.5Å; F269-W330 AromaticContact CE1-CD1 3.68Å; F269-W330 HydrophobicContact CE1-CD2 4.39Å; F269-W330 HydrophobicContact CE1-CG 4.09Å; F269-W330 AromaticContact CE1-NE1 3.72Å; P274-W330 PolarHBondContact O-NE1 3.09Å; D275-W330 WeakPolarHBondContact O-CZ2 3.46Å; L277-W330 HydrophobicContact CB-CH2 3.78Å; L277-W330 HydrophobicContact CB-CZ2 3.47Å; L277-W330 VanDerWaalsContact CB-CZ2 3.47Å; L277-W330 HydrophobicContact CD1-CH2 4.47Å; L277-W330 HydrophobicContact CD1-CZ2 4.42Å; W289-W330 HydrophobicContact CB-CH2 3.62Å; W289-W330 HydrophobicContact CB-CZ2 4.41Å; W289-W330 HydrophobicContact CG-CH2 4.43Å; A291-W330 HydrophobicContact CB-CD2 4.05Å; A291-W330 HydrophobicContact CB-CE3 4.34Å; A291-W330 HydrophobicContact CB-CH2 3.91Å; A291-W330 HydrophobicContact CB-CZ2 3.59Å; A291-W330 HydrophobicContact CB-CZ3 4.28Å; S328-W330 PolarHBondContact O-N 2.75Å; S328-W330 PolarHBondContact OG-N 3.31Å; W330-I340 HydrophobicContact CE3-CD1 4.36Å; W330-I340 HydrophobicContact CH2-CG2 4.32Å; W330-I340 HydrophobicContact CZ3-CD1 3.96Å; W330-I340 HydrophobicContact CZ3-CG2 4.44Å
331L84.8Confident62.3Low15 Ų1594.2 Ų94.28%0.07951%0.511CS..G310 helixtrans-102.60.5176.3-63-177.9000112.6V232 I244 D246 V254 I327 S328 S329V232-L331 HydrophobicContact CG1-CD2 4.34Å; V232-L331 HydrophobicContact CG2-CD1 3.67Å; V232-L331 HydrophobicContact CG2-CD2 4.33Å; V232-L331 HydrophobicContact CG2-CG 4.17Å; I244-L331 HydrophobicContact CG2-CD2 4.06Å; D246-L331 HydrophobicContact CB-CD1 4.44Å; D246-L331 HydrophobicContact CB-CD2 4.07Å; V254-L331 HydrophobicContact CB-CD2 4.12Å; V254-L331 HydrophobicContact CG1-CD2 4.06Å; V254-L331 HydrophobicContact CG2-CD2 4.04Å; I327-L331 HydrophobicContact CG2-CB 3.78Å; I327-L331 HydrophobicContact CG2-CD1 4.38Å; S328-L331 PolarHBondContact O-N 3.23Å; S329-L331 PolarHBondContact O-N 3.02Å
332S75.9Confident65.3Low27 Ų2790.9 Ų90.919%0.18949%0.493CS..  trans-64.2137.3174.2175.90000109.7S329 D334 D338S329-S332 VanDerWaalsContact O-CB 3.25Å; S329-S332 WeakPolarHBondContact O-CB 3.22Å; S329-S332 PolarHBondContact O-N 2.89Å; S329-S332 VanDerWaalsContact O-N 3.09Å; S332-D334 PolarHBondContact OG-N 2.93Å; S332-D338 WeakPolarHBondContact CB-OD1 3.35Å; S332-D338 PolarHBondContact OG-OD1 3.26Å
333T66.1Low68.3Low114 Ų11487.8 Ų87.870%0.69947%0.474SS*.  trans-115.211.5173.249.20000110.7V254 P335V254-T333 HydrophobicContact CG1-CG2 4.48Å; T333-P335 VanDerWaalsContact O-CD 3.22Å; T333-P335 WeakPolarHBondContact O-CD 3.25Å
334D63.8Low71.5Confident64 Ų6482.1 Ų82.134%0.34246%0.456SS..  trans-92104-177.8-175.3-4.5000109.9S332 A336 K337 D338S332-D334 PolarHBondContact OG-N 2.93Å; D334-A336 PolarHBondContact O-N 2.88Å; D334-A336 WeakPolarHBondContact OD1-CB 3.3Å; D334-A336 PolarHBondContact OD1-N 2.75Å; D334-A336 VanDerWaalsContact OD1-N 3.1Å; D334-K337 HydrophobicContact CB-CB 4.29Å; D334-K337 HydrophobicContact CB-CD 4.4Å; D334-K337 HydrophobicContact CB-CG 4.4Å; D334-K337 PolarHBondContact O-N 3.13Å; D334-D338 PolarHBondContact N-OD2 3.5Å; D334-D338 PolarHBondContact O-N 3.29Å
335P58.3Low74.3Confident116 Ų11675.3 Ų75.375%0.75342%0.424SS*.THydrogen-bonded Turntrans-63-13.4-176.825.2-33.9000113.6T333T333-P335 VanDerWaalsContact O-CD 3.22Å; T333-P335 WeakPolarHBondContact O-CD 3.25Å
336A54.4Low76.7Confident93 Ų9371 Ų7177%0.76939%0.393SS*.THydrogen-bonded Turntrans-83.1-16.2173.600000113.6D334D334-A336 PolarHBondContact O-N 2.88Å; D334-A336 WeakPolarHBondContact OD1-CB 3.3Å; D334-A336 PolarHBondContact OD1-N 2.75Å; D334-A336 VanDerWaalsContact OD1-N 3.1Å
337K56Low78Confident139 Ų13969 Ų6960%0.60438%0.383SS*.THydrogen-bonded Turntrans-108.3-17.2176.8-65.9-177.2-178.1179.60113.1D334 R339D334-K337 HydrophobicContact CB-CB 4.29Å; D334-K337 HydrophobicContact CB-CD 4.4Å; D334-K337 HydrophobicContact CB-CG 4.4Å; D334-K337 PolarHBondContact O-N 3.13Å; K337-R339 VanDerWaalsContact C-N 3.29Å; K337-R339 PolarHBondContact O-N 3.43Å
338D59.8Low78.4Confident65 Ų6569.7 Ų69.735%0.34840%0.398SS..  trans-82.958.9-175.5-64.1-13.7000113S332 D334S332-D338 WeakPolarHBondContact CB-OD1 3.35Å; S332-D338 PolarHBondContact OG-OD1 3.26Å; D334-D338 PolarHBondContact N-OD2 3.5Å; D334-D338 PolarHBondContact O-N 3.29Å
339R74Confident78.5Confident187 Ų18780.8 Ų80.871%0.70644%0.439SS*.  trans-96.691.5166.6-169.3174.3170.2-171.9-13109.2K337 E341K337-R339 VanDerWaalsContact C-N 3.29Å; K337-R339 PolarHBondContact O-N 3.43Å; R339-E341 IonicContact CZ-OE1 3.86Å; R339-E341 VanDerWaalsContact CZ-OE1 3.27Å; R339-E341 IonicContact NE-OE1 3.93Å; R339-E341 PolarHBondContact NE-OE1 2.95Å; R339-E341 IonicContact NH2-OE1 3.55Å; R339-E341 PolarHBondContact NH2-OE1 3.13Å
340I88.6Confident78.7Confident53 Ų5380.1 Ų80.127%0.27243%0.434SS..  trans-85.4120.8170.2-56.1169000107.8L257 W289 D290 A291 W330 I342L257-I340 HydrophobicContact CD1-CD1 3.98Å; W289-I340 HydrophobicContact CB-CG2 4.25Å; W289-I340 HydrophobicContact CE3-CG2 3.88Å; D290-I340 CarbonylContact O-C 3.48Å; D290-I340 WeakPolarHBondContact O-CA 3.42Å; A291-I340 HydrophobicContact CB-CG1 4.18Å; W330-I340 HydrophobicContact CE3-CD1 4.36Å; W330-I340 HydrophobicContact CH2-CG2 4.32Å; W330-I340 HydrophobicContact CZ3-CD1 3.96Å; W330-I340 HydrophobicContact CZ3-CG2 4.44Å; I340-I342 HydrophobicContact CG2-CG1 4.38Å
341E91.9Very high79.2Confident95 Ų9584.7 Ų84.744%0.44446%0.458SS..EExtended strand (participates in β ladder)trans-89.3140.5173-54.8-154143.900109.8W289 D290 R339W289-E341 CarbonylContact C-O 3.54Å; W289-E341 WeakPolarHBondContact CA-O 3.49Å; D290-E341 HydrophobicContact CB-CB 4.38Å; D290-E341 PolarHBondContact N-O 3.47Å; D290-E341 PolarHBondContact O-N 3.15Å; R339-E341 IonicContact CZ-OE1 3.86Å; R339-E341 VanDerWaalsContact CZ-OE1 3.27Å; R339-E341 IonicContact NE-OE1 3.93Å; R339-E341 PolarHBondContact NE-OE1 2.95Å; R339-E341 IonicContact NH2-OE1 3.55Å; R339-E341 PolarHBondContact NH2-OE1 3.13Å
342I94.1Very high79.8Confident75 Ų7584.2 Ų84.239%0.38546%0.456SS..EExtended strand (participates in β ladder)trans-129.6126.2-174.3-56.5172.3000108.6W287 H288 W289 I340W287-I342 HydrophobicContact CB-CG2 4.31Å; W287-I342 HydrophobicContact CD2-CG2 3.73Å; W287-I342 HydrophobicContact CE3-CG2 3.28Å; W287-I342 HydrophobicContact CG-CG2 4.17Å; W287-I342 HydrophobicContact CZ3-CD1 4.26Å; W287-I342 HydrophobicContact CZ3-CG2 3.79Å; H288-I342 WeakPolarHBondContact O-CA 3.23Å; W289-I342 HydrophobicContact CD2-CD1 4.39Å; W289-I342 HydrophobicContact CD2-CG1 4.15Å; W289-I342 HydrophobicContact CE3-CD1 3.67Å; W289-I342 HydrophobicContact CE3-CG1 3.69Å; W289-I342 HydrophobicContact CH2-CD1 3.75Å; W289-I342 HydrophobicContact CZ2-CD1 4.46Å; W289-I342 HydrophobicContact CZ3-CD1 3.32Å; W289-I342 HydrophobicContact CZ3-CG1 3.92Å; I340-I342 HydrophobicContact CG2-CG1 4.38Å
343T94.7Very high80.9Confident72 Ų7282.9 Ų82.944%0.44245%0.447SS..EExtended strand (participates in β ladder)trans-124.5124.9177.8-53.80000109.9W287 H288 L345W287-T343 WeakPolarHBondContact CA-O 3.35Å; H288-T343 PolarHBondContact N-O 2.92Å; H288-T343 PolarHBondContact O-N 2.8Å; T343-L345 HydrophobicContact CG2-CD2 3.99Å
344S94.7Very high82.5Confident66 Ų6678 Ų7846%0.46242%0.417SS..EExtended strand (participates in β ladder)trans-80.8119.8168.8-179.50000109.3L286L286-S344 WeakPolarHBondContact O-CA 3.38Å
345L94.8Very high84.1Confident23 Ų2375 Ų7512%0.1240%0.401CS..  trans-88.6-25.8-172.9-63-171.4000113.1I4 F278 L286 H288 T343 L363 L378I4-L345 HydrophobicContact CD1-CB 3.75Å; I4-L345 WeakPolarHBondContact CD1-O 3.37Å; F278-L345 HydrophobicContact CD1-CD1 4.47Å; F278-L345 HydrophobicContact CE1-CD1 4.31Å; L286-L345 HydrophobicContact CD2-CB 3.87Å; L286-L345 HydrophobicContact CD2-CD1 3.59Å; L286-L345 HydrophobicContact CD2-CG 3.98Å; L286-L345 PolarHBondContact O-N 3.4Å; H288-L345 HydrophobicContact CB-CD1 3.98Å; H288-L345 HydrophobicContact CB-CD2 4.27Å; H288-L345 HydrophobicContact CB-CG 4.13Å; T343-L345 HydrophobicContact CG2-CD2 3.99Å; L345-L363 HydrophobicContact CD1-CD1 3.86Å; L345-L378 HydrophobicContact CD1-CD2 3.93Å
346L92.3Very high86Confident12 Ų1269.5 Ų69.56%0.06337%0.365CS..SBendtrans-99.8156.6-179.2-65.6178.9000113.2I4 L286 V353 Y373I4-L346 HydrophobicContact CG2-CD2 4.2Å; L286-L346 HydrophobicContact CB-CD1 3.75Å; L286-L346 HydrophobicContact CB-CG 3.92Å; L286-L346 HydrophobicContact CD1-CD1 4.49Å; L346-V353 HydrophobicContact CD1-CG1 4.25Å; L346-V353 HydrophobicContact CD1-CG2 3.5Å; L346-Y373 HydrophobicContact CD1-CD2 4.47Å; L346-Y373 HydrophobicContact CD2-CD1 3.56Å; L346-Y373 HydrophobicContact CD2-CD2 4Å; L346-Y373 HydrophobicContact CD2-CE1 4.02Å; L346-Y373 HydrophobicContact CD2-CE2 4.44Å; L346-Y373 HydrophobicContact CD2-CG 3.54Å
347P84.6Confident88.2Confident83 Ų8366.3 Ų66.354%0.53934%0.335SS..  trans-62.2150.2174.4-20.132.1000112.9R349 S350P347-R349 PolarHBondContact O-N 2.79Å; P347-S350 PolarHBondContact O-N 2.96Å
348S75.6Confident90.2Very high127 Ų12759.7 Ų59.789%0.88831%0.306SS*.THydrogen-bonded Turntrans-66.56.4-17557.20000117.1
349R76.9Confident91.9Very high236 Ų23658.7 Ų58.789%0.89130%0.301SS*.THydrogen-bonded Turntrans-127.820.4-178.7-65.6-171178.2-170.7-0.1113.3P347P347-R349 PolarHBondContact O-N 2.79Å
350S85.5Confident92.9Very high15 Ų1550.9 Ų50.911%0.10528%0.278CS..  trans-68.7147.4171.1-169.70000110.1G284 P347G284-S350 WeakPolarHBondContact O-CB 3.41Å; P347-S350 PolarHBondContact O-N 2.96Å
351L96.4Very high93.2Very high101 Ų10150.2 Ų50.253%0.52928%0.277SS..  trans-72.2176.7158.7-59.6-178.7000109.2G284 V353 D368 A369G284-L351 VanDerWaalsContact CA-O 3.26Å; G284-L351 WeakPolarHBondContact CA-O 3.39Å; L351-V353 PolarHBondContact O-N 3.15Å; L351-D368 HydrophobicContact CB-CB 4.02Å; L351-A369 HydrophobicContact CB-CB 4.23Å; L351-A369 HydrophobicContact CD1-CB 4.12Å; L351-A369 HydrophobicContact CG-CB 4.18Å
352S98.3Very high93.4Very high5 Ų545.7 Ų45.74%0.03526%0.256CS..  trans-38.1130.2179.1-175.60000113.5W265 E282 N354 T367 D368W265-S352 PolarHBondContact NE1-OG 2.85Å; E282-S352 WeakPolarHBondContact CA-OG 3.47Å; E282-S352 WeakPolarHBondContact OE2-CB 3.43Å; E282-S352 PolarHBondContact OE2-OG 3.33Å; S352-N354 PolarHBondContact OG-OD1 2.87Å; S352-T367 CarbonylContact O-C 3.58Å; S352-T367 WeakPolarHBondContact O-CA 3.49Å; S352-T367 WeakPolarHBondContact O-CB 3.4Å; S352-D368 PolarHBondContact O-N 2.94Å
353V98.6Very high93.6Very high0 Ų042.1 Ų42.10%024%0.238CC..EExtended strand (participates in β ladder)trans-99.899.1174.9-175.90000107.1C280 S281 G284 L286 L346 L351 C365 T367C280-V353 HydrophobicContact CB-CB 3.86Å; C280-V353 HydrophobicContact CB-CG1 3.51Å; C280-V353 WeakPolarHBondContact CB-O 3.49Å; C280-V353 PolarHBondContact SG-O 2.95Å; S281-V353 PolarHBondContact O-N 3.08Å; G284-V353 WeakPolarHBondContact O-CG2 3.4Å; L286-V353 HydrophobicContact CB-CG1 4.44Å; L286-V353 HydrophobicContact CD1-CG1 4.23Å; L346-V353 HydrophobicContact CD1-CG1 4.25Å; L346-V353 HydrophobicContact CD1-CG2 3.5Å; L351-V353 PolarHBondContact O-N 3.15Å; V353-C365 HydrophobicContact CG1-CB 4.06Å; V353-T367 HydrophobicContact CB-CG2 4.39Å; V353-T367 HydrophobicContact CG1-CG2 4.38Å; V353-T367 HydrophobicContact CG2-CG2 3.94Å
354N98.6Very high93.7Very high12 Ų1238.7 Ų38.76%0.06422%0.217CC..EExtended strand (participates in β ladder)trans-79.5-26.1-166.3-58.2-42.7000113.4I13 W37 S352 G366 D368I13-N354 WeakPolarHBondContact O-CB 3.29Å; I13-N354 PolarHBondContact O-ND2 3.32Å; W37-N354 PolarHBondContact NE1-ND2 2.56Å; S352-N354 PolarHBondContact OG-OD1 2.87Å; N354-G366 PolarHBondContact N-O 2.74Å; N354-D368 PolarHBondContact ND2-N 3.01Å; N354-D368 PolarHBondContact ND2-OD1 2.61Å
355S98.7Very high93.9Very high0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-160.4149-173.1-174.10000111.7S14 K15 T16 R17 E266 C365 G366S14-S355 VanDerWaalsContact O-CB 3.31Å; S14-S355 WeakPolarHBondContact O-CB 3.46Å; K15-S355 WeakPolarHBondContact CA-OG 3.35Å; T16-S355 PolarHBondContact N-OG 2.81Å; T16-S355 VanDerWaalsContact N-OG 3.1Å; R17-S355 PolarHBondContact NH1-OG 2.73Å; E266-S355 VanDerWaalsContact CD-OG 3.22Å; E266-S355 WeakPolarHBondContact OE1-CB 3.22Å; E266-S355 PolarHBondContact OE1-OG 2.98Å; E266-S355 PolarHBondContact OE2-OG 3.2Å; E266-S355 VanDerWaalsContact OE2-OG 3.09Å; S355-C365 CarbonylContact O-C 3.59Å; S355-C365 WeakPolarHBondContact O-CA 3.45Å; S355-C365 WeakPolarHBondContact O-CB 3.38Å; S355-G366 PolarHBondContact O-N 2.97Å
356L98.6Very high94.1Very high0 Ų034.5 Ų34.50%019%0.189CC..EExtended strand (participates in β ladder)trans-139.3158.1172.373.689.2000110.4R17 E266 H268 F278 C280 L286 V358 V364 C365R17-L356 PolarHBondContact NH1-O 2.65Å; E266-L356 PolarHBondContact OE2-N 3.38Å; H268-L356 HydrophobicContact CB-CD1 4.14Å; H268-L356 VanDerWaalsContact CD2-CD1 3.48Å; H268-L356 WeakPolarHBondContact CD2-CD1 3.26Å; H268-L356 PolarHBondContact NE2-O 2.84Å; F278-L356 HydrophobicContact CB-CD1 3.75Å; F278-L356 HydrophobicContact CB-CD2 3.97Å; C280-L356 HydrophobicContact CB-CD2 3.82Å; L286-L356 HydrophobicContact CD1-CB 3.94Å; L286-L356 HydrophobicContact CD1-CD2 4.18Å; L286-L356 HydrophobicContact CG-CD2 4.21Å; L356-V358 HydrophobicContact CD1-CG1 4.22Å; L356-V364 CarbonylContact C-O 3.57Å; L356-V364 VanDerWaalsContact CA-O 3.25Å; L356-V364 WeakPolarHBondContact CA-O 3.35Å; L356-C365 HydrophobicContact CB-CB 3.92Å
357D98.8Very high94.4Very high26 Ų2633.9 Ų33.914%0.13919%0.186CC..EExtended strand (participates in β ladder)trans-146.5147.1164.9-166.815.5000111T16 R17 W18 L363 V364T16-D357 WeakPolarHBondContact O-CB 3.2Å; R17-D357 VanDerWaalsContact CA-OD2 3.27Å; R17-D357 WeakPolarHBondContact CA-OD2 3.21Å; W18-D357 PolarHBondContact N-OD2 3.05Å; W18-D357 PolarHBondContact NE1-O 3.46Å; D357-L363 WeakPolarHBondContact O-CA 3.17Å; D357-V364 HydrophobicContact CB-CG1 4.08Å; D357-V364 PolarHBondContact N-O 3.37Å; D357-V364 PolarHBondContact O-N 3.29Å
358V98.2Very high95Very high1 Ų131.1 Ų31.11%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-131.4127.5-175.3-68.40000111.3H268 P271 F278 L356 C362 L363 L378H268-V358 HydrophobicContact CB-CG2 4.45Å; P271-V358 WeakPolarHBondContact CD-O 3.22Å; F278-V358 HydrophobicContact CD1-CG1 4.22Å; F278-V358 HydrophobicContact CD2-CB 4.21Å; F278-V358 HydrophobicContact CD2-CG1 3.71Å; F278-V358 HydrophobicContact CD2-CG2 3.73Å; F278-V358 HydrophobicContact CE1-CG1 4.31Å; F278-V358 HydrophobicContact CE2-CB 4.15Å; F278-V358 HydrophobicContact CE2-CG1 3.81Å; F278-V358 HydrophobicContact CE2-CG2 3.97Å; F278-V358 HydrophobicContact CG-CG1 3.91Å; F278-V358 HydrophobicContact CZ-CG1 4.12Å; L356-V358 HydrophobicContact CD1-CG1 4.22Å; V358-C362 WeakPolarHBondContact CA-O 3.46Å; V358-L363 HydrophobicContact CG1-CB 4.03Å; V358-L363 HydrophobicContact CG1-CD1 3.7Å; V358-L363 HydrophobicContact CG1-CG 3.87Å; V358-L378 HydrophobicContact CG1-CD1 4.39Å
359L97Very high96Very high44 Ų4426.5 Ų26.523%0.2314%0.136CC..EExtended strand (participates in β ladder)trans-142.8103.4178.5-174.856.9000110.8W18 L21 A29 C362W18-L359 HydrophobicContact CB-CB 4.06Å; W18-L359 HydrophobicContact CB-CD2 3.97Å; W18-L359 HydrophobicContact CG-CB 4.04Å; L21-L359 HydrophobicContact CG-CD2 4.27Å; A29-L359 HydrophobicContact CB-CB 4.34Å; A29-L359 HydrophobicContact CB-CD2 3.97Å; A29-L359 HydrophobicContact CB-CG 4.32Å; L359-C362 PolarHBondContact N-O 3.44Å; L359-C362 WeakPolarHBondContact O-CB 3.26Å; L359-C362 PolarHBondContact O-N 2.84Å
360G94.8Very high97Very high22 Ų2219.1 Ų19.123%0.22711%0.112CC..THydrogen-bonded Turntrans63.4-132.1-172.300000110.3H270 C362H270-G360 PolarHBondContact NE2-O 3.01Å; G360-C362 PolarHBondContact O-N 3.29Å
361P94.8Very high97.5Very high39 Ų3918.4 Ų18.425%0.25311%0.107SC..THydrogen-bonded Turntrans-79.32.2178.636.1-36.7000113.3T28 R376 H377 L378 F379T28-P361 HydrophobicContact CG2-CG 3.65Å; P361-R376 CarbonylContact O-C 3.6Å; P361-H377 PolarHBondContact O-N 3.28Å; P361-L378 WeakPolarHBondContact O-CB 3.47Å; P361-L378 WeakPolarHBondContact O-CG 3.42Å; P361-L378 PolarHBondContact O-N 2.83Å; P361-F379 HydrophobicContact CB-CD2 4.43Å
362C95.6Very high97.5Very high0 Ų013.6 Ų13.60%08%0.082CC..EExtended strand (participates in β ladder)trans-97134.8-175-56.80000111.7W18 A29 V358 L359 G360 T375W18-C362 HydrophobicContact CD2-CB 4.47Å; W18-C362 HydrophobicContact CH2-CB 4.23Å; W18-C362 HydrophobicContact CZ2-CB 3.66Å; A29-C362 HydrophobicContact CB-CB 4.19Å; A29-C362 PolarHBondContact O-SG 3.16Å; A29-C362 VanDerWaalsContact O-SG 3.38Å; V358-C362 WeakPolarHBondContact CA-O 3.46Å; L359-C362 PolarHBondContact N-O 3.44Å; L359-C362 WeakPolarHBondContact O-CB 3.26Å; L359-C362 PolarHBondContact O-N 2.84Å; G360-C362 PolarHBondContact O-N 3.29Å; C362-T375 CarbonylContact C-O 3.54Å; C362-T375 VanDerWaalsContact CA-O 3.28Å; C362-T375 WeakPolarHBondContact CA-O 3.38Å
363L97.6Very high97.3Very high1 Ų114.8 Ų14.81%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-128.2136.5170.8-178.6149.6000109.4F278 L286 L345 D357 V358 C365 V374 T375 L378F278-L363 HydrophobicContact CD1-CD1 3.82Å; F278-L363 HydrophobicContact CE1-CD1 3.96Å; L286-L363 HydrophobicContact CD1-CD1 4.47Å; L286-L363 HydrophobicContact CD1-CD2 4.09Å; L286-L363 HydrophobicContact CD2-CD1 3.89Å; L345-L363 HydrophobicContact CD1-CD1 3.86Å; D357-L363 WeakPolarHBondContact O-CA 3.17Å; V358-L363 HydrophobicContact CG1-CB 4.03Å; V358-L363 HydrophobicContact CG1-CD1 3.7Å; V358-L363 HydrophobicContact CG1-CG 3.87Å; L363-C365 HydrophobicContact CD2-CB 4.47Å; L363-V374 WeakPolarHBondContact O-CA 3.3Å; L363-T375 HydrophobicContact CB-CG2 3.82Å; L363-T375 PolarHBondContact N-O 3.21Å; L363-T375 PolarHBondContact O-N 2.7Å; L363-L378 HydrophobicContact CB-CD1 3.74Å; L363-L378 HydrophobicContact CB-CD2 3.95Å; L363-L378 HydrophobicContact CB-CG 3.97Å; L363-L378 HydrophobicContact CD1-CD1 4.39Å; L363-L378 HydrophobicContact CD1-CD2 4.05Å
364V98Very high97.1Very high0 Ų015 Ų150%09%0.087CC..EExtended strand (participates in β ladder)trans-126.9143.1167.961.90000108.9T16 W18 F32 L356 D357 I372 Y373 V374T16-V364 HydrophobicContact CG2-CG2 4.19Å; W18-V364 HydrophobicContact CD2-CG1 4.23Å; W18-V364 HydrophobicContact CG-CG1 4.34Å; W18-V364 HydrophobicContact CZ2-CB 3.77Å; W18-V364 HydrophobicContact CZ2-CG1 4.12Å; F32-V364 HydrophobicContact CB-CG1 4.49Å; F32-V364 HydrophobicContact CD2-CG2 3.94Å; F32-V364 HydrophobicContact CE2-CG2 4.02Å; F32-V364 HydrophobicContact CG-CG2 4.25Å; F32-V364 HydrophobicContact CZ-CG2 4.39Å; L356-V364 CarbonylContact C-O 3.57Å; L356-V364 VanDerWaalsContact CA-O 3.25Å; L356-V364 WeakPolarHBondContact CA-O 3.35Å; D357-V364 HydrophobicContact CB-CG1 4.08Å; D357-V364 PolarHBondContact N-O 3.37Å; D357-V364 PolarHBondContact O-N 3.29Å; V364-I372 HydrophobicContact CG2-CG2 3.73Å; V364-Y373 CarbonylContact C-O 3.59Å; V364-Y373 VanDerWaalsContact CA-O 3.32Å; V364-Y373 WeakPolarHBondContact CA-O 3.26Å; V364-V374 HydrophobicContact CB-CG2 4.25Å; V364-V374 HydrophobicContact CG2-CG2 3.85Å
365C98.4Very high96.9Very high0 Ų014.5 Ų14.50%08%0.084CC..EExtended strand (participates in β ladder)trans-144.6154.1168.670.80000112L286 V353 S355 L356 L363 I372 Y373L286-C365 HydrophobicContact CD1-CB 3.5Å; L286-C365 VanDerWaalsContact CD1-CB 3.5Å; L286-C365 VanDerWaalsContact CD1-SG 3.58Å; V353-C365 HydrophobicContact CG1-CB 4.06Å; S355-C365 CarbonylContact O-C 3.59Å; S355-C365 WeakPolarHBondContact O-CA 3.45Å; S355-C365 WeakPolarHBondContact O-CB 3.38Å; L356-C365 HydrophobicContact CB-CB 3.92Å; L363-C365 HydrophobicContact CD2-CB 4.47Å; C365-I372 CarbonylContact O-C 3.54Å; C365-I372 WeakPolarHBondContact O-CA 3.23Å; C365-Y373 PolarHBondContact N-O 3.37Å; C365-Y373 PolarHBondContact O-N 3.23Å
366G98.3Very high96.5Very high0 Ų015.5 Ų15.50%09%0.088CC..EExtended strand (participates in β ladder)trans-117.8146179.300000112.1N354 S355N354-G366 PolarHBondContact N-O 2.74Å; S355-G366 PolarHBondContact O-N 2.97Å
367T98.4Very high96Very high0 Ų019.8 Ų19.80%011%0.108CC..EExtended strand (participates in β ladder)trans-132.5166.9-176.177.70000113.5I13 S352 V353 A369 E370 A371 Y373I13-T367 PolarHBondContact N-O 3.28Å; S352-T367 CarbonylContact O-C 3.58Å; S352-T367 WeakPolarHBondContact O-CA 3.49Å; S352-T367 WeakPolarHBondContact O-CB 3.4Å; V353-T367 HydrophobicContact CB-CG2 4.39Å; V353-T367 HydrophobicContact CG1-CG2 4.38Å; V353-T367 HydrophobicContact CG2-CG2 3.94Å; T367-A369 PolarHBondContact O-N 2.81Å; T367-A369 PolarHBondContact OG1-N 2.66Å; T367-E370 PolarHBondContact O-N 3.46Å; T367-A371 PolarHBondContact N-O 3.06Å; T367-Y373 HydrophobicContact CG2-CD2 3.92Å; T367-Y373 HydrophobicContact CG2-CE2 3.71Å
368D98.1Very high95.6Very high25 Ų2518.8 Ų18.813%0.13410%0.103CC..THydrogen-bonded Turntrans-73.2-8171.5-99.929.3000114.1K12 W37 L351 S352 N354 E370K12-D368 IonicContact NZ-OD2 2.84Å; K12-D368 PolarHBondContact NZ-OD2 3.14Å; W37-D368 VanDerWaalsContact CZ2-OD1 3.26Å; W37-D368 WeakPolarHBondContact CZ2-OD1 3.38Å; W37-D368 PolarHBondContact NE1-OD1 3.33Å; L351-D368 HydrophobicContact CB-CB 4.02Å; S352-D368 PolarHBondContact O-N 2.94Å; N354-D368 PolarHBondContact ND2-N 3.01Å; N354-D368 PolarHBondContact ND2-OD1 2.61Å; D368-E370 PolarHBondContact O-N 2.66Å
369A96.9Very high95Very high29 Ų2923.4 Ų23.424%0.2412%0.123CC..THydrogen-bonded Turntrans-81.319.1171.600000112.5F8 L351 T367 A371F8-A369 WeakPolarHBondContact CD1-O 3.05Å; L351-A369 HydrophobicContact CB-CB 4.23Å; L351-A369 HydrophobicContact CD1-CB 4.12Å; L351-A369 HydrophobicContact CG-CB 4.18Å; T367-A369 PolarHBondContact O-N 2.81Å; T367-A369 PolarHBondContact OG1-N 2.66Å; A369-A371 HydrophobicContact CB-CB 4.47Å; A369-A371 PolarHBondContact O-N 3.02Å
370E97.2Very high93.7Very high82 Ų8227.9 Ų27.938%0.38316%0.158SC..SBendtrans54.533.3-174.8-52.8178.1162.700112.5F8 V9 S10 Q11 K12 T367 D368F8-E370 CarbonylContact C-O 3.45Å; F8-E370 VanDerWaalsContact CA-O 3.3Å; F8-E370 WeakPolarHBondContact CA-O 3.12Å; V9-E370 PolarHBondContact N-O 2.91Å; S10-E370 WeakPolarHBondContact CA-OE2 3.45Å; Q11-E370 VanDerWaalsContact O-CA 3.26Å; Q11-E370 WeakPolarHBondContact O-CA 3.27Å; K12-E370 HydrophobicContact CG-CG 4.38Å; T367-E370 PolarHBondContact O-N 3.46Å; D368-E370 PolarHBondContact O-N 2.66Å
371A95.4Very high93.6Very high0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-121.4143.6-171.500000111.9K7 F8 T367 A369 Y373K7-A371 CarbonylContact O-C 3.54Å; K7-A371 WeakPolarHBondContact O-CA 3.24Å; F8-A371 HydrophobicContact CD1-CB 3.97Å; F8-A371 HydrophobicContact CE1-CB 3.94Å; T367-A371 PolarHBondContact N-O 3.06Å; A369-A371 HydrophobicContact CB-CB 4.47Å; A369-A371 PolarHBondContact O-N 3.02Å; A371-Y373 HydrophobicContact CB-CD2 4.44Å; A371-Y373 HydrophobicContact CB-CE2 3.84Å
372I96.6Very high93.6Very high0 Ų027.6 Ų27.60%015%0.149CC..EExtended strand (participates in β ladder)trans-112.8125.6168.9-58.6169.4000107.1A6 K7 V9 I13 F32 T34 W47 V364 C365 V374A6-I372 CarbonylContact C-O 3.59Å; A6-I372 WeakPolarHBondContact CA-O 3.38Å; K7-I372 PolarHBondContact N-O 2.93Å; K7-I372 PolarHBondContact O-N 2.92Å; V9-I372 HydrophobicContact CB-CD1 4.44Å; V9-I372 HydrophobicContact CG1-CD1 3.68Å; V9-I372 HydrophobicContact CG1-CG1 4.28Å; V9-I372 HydrophobicContact CG2-CD1 4Å; V9-I372 HydrophobicContact CG2-CG1 4.1Å; I13-I372 HydrophobicContact CG1-CG1 3.99Å; F32-I372 HydrophobicContact CE2-CD1 4.19Å; F32-I372 HydrophobicContact CE2-CG2 3.93Å; F32-I372 HydrophobicContact CZ-CG2 4Å; T34-I372 HydrophobicContact CG2-CD1 3.8Å; W47-I372 HydrophobicContact CZ2-CD1 4.33Å; V364-I372 HydrophobicContact CG2-CG2 3.73Å; C365-I372 CarbonylContact O-C 3.54Å; C365-I372 WeakPolarHBondContact O-CA 3.23Å; I372-V374 HydrophobicContact CG2-CG2 4.03Å
373Y95.3Very high93.5Very high29 Ų2929.1 Ų29.111%0.11416%0.157CC..EExtended strand (participates in β ladder)trans-105.4138.4172.9-63.1-99.8000110I4 Y5 A6 L346 V364 C365 T367 A371I4-Y373 HydrophobicContact CG2-CD1 3.97Å; I4-Y373 HydrophobicContact CG2-CG 4.36Å; Y5-Y373 CarbonylContact O-C 3.57Å; Y5-Y373 VanDerWaalsContact O-CA 3.23Å; Y5-Y373 WeakPolarHBondContact O-CA 3.46Å; A6-Y373 HydrophobicContact CB-CD1 3.6Å; A6-Y373 HydrophobicContact CB-CE1 3.42Å; A6-Y373 VanDerWaalsContact CB-CE1 3.42Å; A6-Y373 HydrophobicContact CB-CG 4.36Å; L346-Y373 HydrophobicContact CD1-CD2 4.47Å; L346-Y373 HydrophobicContact CD2-CD1 3.56Å; L346-Y373 HydrophobicContact CD2-CD2 4Å; L346-Y373 HydrophobicContact CD2-CE1 4.02Å; L346-Y373 HydrophobicContact CD2-CE2 4.44Å; L346-Y373 HydrophobicContact CD2-CG 3.54Å; V364-Y373 CarbonylContact C-O 3.59Å; V364-Y373 VanDerWaalsContact CA-O 3.32Å; V364-Y373 WeakPolarHBondContact CA-O 3.26Å; C365-Y373 PolarHBondContact N-O 3.37Å; C365-Y373 PolarHBondContact O-N 3.23Å; T367-Y373 HydrophobicContact CG2-CD2 3.92Å; T367-Y373 HydrophobicContact CG2-CE2 3.71Å; A371-Y373 HydrophobicContact CB-CD2 4.44Å; A371-Y373 HydrophobicContact CB-CE2 3.84Å
374V94.8Very high93.2Very high4 Ų430.8 Ų30.82%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-137.8140.6179.1-176.50000111.3Y5 W18 F32 I49 H65 L363 V364 I372Y5-V374 PolarHBondContact N-O 2.84Å; Y5-V374 PolarHBondContact O-N 3.39Å; W18-V374 HydrophobicContact CH2-CG1 3.92Å; W18-V374 HydrophobicContact CZ2-CG1 4.03Å; F32-V374 HydrophobicContact CE1-CG2 4.19Å; F32-V374 HydrophobicContact CZ-CG2 4.28Å; I49-V374 HydrophobicContact CD1-CB 4.43Å; I49-V374 HydrophobicContact CD1-CG1 3.54Å; I49-V374 HydrophobicContact CD1-CG2 4.4Å; H65-V374 VanDerWaalsContact CE1-CG2 3.49Å; H65-V374 WeakPolarHBondContact CE1-CG2 3.48Å; L363-V374 WeakPolarHBondContact O-CA 3.3Å; V364-V374 HydrophobicContact CB-CG2 4.25Å; V364-V374 HydrophobicContact CG2-CG2 3.85Å; I372-V374 HydrophobicContact CG2-CG2 4.03Å
375T92.8Very high92.9Very high3 Ų332.7 Ų32.72%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-131.9145159.2173.90000109.4I4 C362 L363 H377 L378I4-T375 HydrophobicContact CG1-CG2 3.86Å; C362-T375 CarbonylContact C-O 3.54Å; C362-T375 VanDerWaalsContact CA-O 3.28Å; C362-T375 WeakPolarHBondContact CA-O 3.38Å; L363-T375 HydrophobicContact CB-CG2 3.82Å; L363-T375 PolarHBondContact N-O 3.21Å; L363-T375 PolarHBondContact O-N 2.7Å; T375-H377 PolarHBondContact OG1-N 3.2Å; T375-H377 VanDerWaalsContact OG1-N 3.13Å; T375-L378 HydrophobicContact CG2-CD2 3.7Å; T375-L378 HydrophobicContact CG2-CG 3.93Å
376R91.1Very high92.6Very high20 Ų2034.9 Ų34.98%0.07519%0.188CC..SBendtrans-108.18.2172.6-64.5-178.970.5-164.3-0.7112.3T28 A29 D51 P361T28-R376 PolarHBondContact OG1-NH2 3.18Å; A29-R376 PolarHBondContact O-NE 3.41Å; D51-R376 IonicContact OD1-NH1 2.66Å; P361-R376 CarbonylContact O-C 3.6Å
377H89.1Confident92.2Very high90 Ų9037.4 Ų37.442%0.41720%0.202SC..  trans-139.848.7-168.8-60.1-60.5000112.2F52 P361 T375 F379 S380F52-H377 AromaticContact CE2-NE2 3.7Å; F52-H377 AromaticContact CZ-NE2 3.92Å; P361-H377 PolarHBondContact O-N 3.28Å; T375-H377 PolarHBondContact OG1-N 3.2Å; T375-H377 VanDerWaalsContact OG1-N 3.13Å; H377-F379 PolarHBondContact O-N 2.74Å; H377-F379 VanDerWaalsContact O-N 3.12Å; H377-S380 WeakPolarHBondContact CB-OG 3.45Å; H377-S380 PolarHBondContact O-OG 3.46Å
378L88.4Confident91.7Very high6 Ų640.2 Ų40.23%0.03122%0.217CC..THydrogen-bonded Turntrans-57.1-24.3-179.6-83.4174.1000115.5F278 L345 V358 P361 L363 T375F278-L378 HydrophobicContact CE1-CD1 4.2Å; F278-L378 HydrophobicContact CE1-CD2 4.34Å; F278-L378 HydrophobicContact CZ-CD1 3.9Å; L345-L378 HydrophobicContact CD1-CD2 3.93Å; V358-L378 HydrophobicContact CG1-CD1 4.39Å; P361-L378 WeakPolarHBondContact O-CB 3.47Å; P361-L378 WeakPolarHBondContact O-CG 3.42Å; P361-L378 PolarHBondContact O-N 2.83Å; L363-L378 HydrophobicContact CB-CD1 3.74Å; L363-L378 HydrophobicContact CB-CD2 3.95Å; L363-L378 HydrophobicContact CB-CG 3.97Å; L363-L378 HydrophobicContact CD1-CD1 4.39Å; L363-L378 HydrophobicContact CD1-CD2 4.05Å; T375-L378 HydrophobicContact CG2-CD2 3.7Å; T375-L378 HydrophobicContact CG2-CG 3.93Å
379F85.9Confident91.1Very high97 Ų9741.5 Ų41.543%0.42522%0.224SC..THydrogen-bonded Turntrans-123.618.2-170.3-52.5-65.6000113.3H276 P361 H377H276-F379 AromaticContact CD2-CE1 3.85Å; H276-F379 AromaticContact CD2-CZ 3.95Å; H276-F379 AromaticContact NE2-CE1 3.84Å; P361-F379 HydrophobicContact CB-CD2 4.43Å; H377-F379 PolarHBondContact O-N 2.74Å; H377-F379 VanDerWaalsContact O-N 3.12Å
380S70.1Confident90.6Very high138 Ų13842.6 Ų42.697%0.96522%0.223SC*.  trans-91.90-17166.20000115H377H377-S380 WeakPolarHBondContact CB-OG 3.45Å; H377-S380 PolarHBondContact O-OG 3.46Å

Retrieved 380 of 380 residues in 140.3 ms (Link to these results)

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