A0A087WPS7_MOUSE Loading...

Amyloid beta precursor protein binding family B member 1

AlphaFold DB , UniProt , Accession A0A087WPS7, Species MOUSE (Mus musculus, Mouse), Gene Apbb1, Length 485 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
1M23.3Very low30.7Very low234 Ų234124 Ų124100%1.15362%0.624SS**  097.10-82.7171.6161.400107.8
2F23.5Very low30.6Very low214 Ų214122.7 Ų122.794%0.93962%0.619SS**  trans-135.798.5170-75.2-73.8000107.1
3S25.9Very low30.4Very low102 Ų102124.2 Ų124.271%0.71362%0.622SS**  trans-133.583.5171.2-170.50000106.3
4Q29.9Very low30.1Very low160 Ų160125.6 Ų125.675%0.74863%0.633SS**  trans-126.998.4158.4-85.3-176.6-14.300105.5F6Q4-F6 PolarHBondContact O-N 3Å
5D30.9Very low30Very low113 Ų113127.9 Ų127.960%0.60465%0.648SS**  trans-71.1108171-66.8-38.1000107F7D5-F7 PolarHBondContact O-N 3.08Å
6F35.2Very low29.9Very low120 Ų120123.8 Ų123.853%0.52664%0.635SS.*  trans-73.4114.8171.5-67.6-82.9000108Q4 L8Q4-F6 PolarHBondContact O-N 3Å; F6-L8 PolarHBondContact O-N 2.8Å
7F31.6Very low30Very low166 Ų166123.7 Ų123.773%0.72864%0.644SS**PPolyproline II helixtrans-70.1123171.2-88.1-95.8000109.2D5D5-F7 PolarHBondContact O-N 3.08Å
8L35.1Very low30Very low54 Ų54123.8 Ų123.828%0.28365%0.645SS.*PPolyproline II helixtrans-75.5121.7175.3-15291.4000108.7F6 I10 L384 L387 C429F6-L8 PolarHBondContact O-N 2.8Å; L8-I10 HydrophobicContact CD2-CD1 4.06Å; L8-I10 HydrophobicContact CD2-CG1 3.84Å; L8-L384 HydrophobicContact CD1-CB 4.27Å; L8-L384 WeakPolarHBondContact CD1-O 3.37Å; L8-L387 HydrophobicContact CD2-CD2 4.2Å; L8-C429 HydrophobicContact CD2-CB 3.68Å
9A34Very low30Very low43 Ų43123.2 Ų123.236%0.35565%0.653SS.*EExtended strand (participates in β ladder)trans-94.6123.2168.100000108.6F386A9-F386 HydrophobicContact CB-CD2 4.17Å; A9-F386 HydrophobicContact CB-CE2 4.08Å; A9-F386 WeakPolarHBondContact O-CD2 3.21Å; A9-F386 WeakPolarHBondContact O-CE2 3.37Å
10I34.1Very low30.1Very low64 Ų64126.1 Ų126.133%0.32866%0.66SS.*EExtended strand (participates in β ladder)trans-109.7119.7175.8-60.1161.9000106.7L8 Q426L8-I10 HydrophobicContact CD2-CD1 4.06Å; L8-I10 HydrophobicContact CD2-CG1 3.84Å; I10-Q426 HydrophobicContact CD1-CG 3.88Å
11I34.3Very low30.1Very low94 Ų94131.2 Ų131.248%0.48267%0.671SS.*  trans-122.6112.3170.6-58.9-178.8000107.4V334I11-V334 HydrophobicContact CB-CG2 4.45Å
12L28.8Very low30.4Very low108 Ų108125.8 Ų125.857%0.56565%0.646SS**  trans-89.7112.3163.6-64.1174.5000106.6D14L12-D14 PolarHBondContact O-N 2.75Å
13Q27.9Very low30.8Very low142 Ų142121.2 Ų121.266%0.66464%0.638SS**  trans-86.191.4176.2-158.1169.9700107.8
14D26.2Very low31Very low144 Ų144122.1 Ų122.177%0.7764%0.635SS**  trans-80.2121.4169.6-158.6-3.2000108.4L12 S16L12-D14 PolarHBondContact O-N 2.75Å; D14-S16 PolarHBondContact O-N 2.71Å
15N29.8Very low31.2Very low160 Ų160118.9 Ų118.986%0.85664%0.635SS**  trans-89.255.6-170.1-146.720.8000110.8
16S27.8Very low31.1Very low63 Ų63123.1 Ų123.144%0.44165%0.649SS.*  trans-105.7131.1174.5163.90000109.6D14 D18D14-S16 PolarHBondContact O-N 2.71Å; S16-D18 PolarHBondContact O-N 2.65Å; S16-D18 VanDerWaalsContact O-N 3.09Å
17P31.7Very low30.9Very low122 Ų122125.7 Ų125.779%0.79266%0.662SS**SBendtrans-72.96.7-178.129.6-32.9000114.8
18D29.3Very low31.2Very low125 Ų125123.6 Ų123.667%0.66866%0.663SS**SBendtrans-103.991.4173.3-71.9-33.7000110.7S16 F20S16-D18 PolarHBondContact O-N 2.65Å; S16-D18 VanDerWaalsContact O-N 3.09Å; D18-F20 PolarHBondContact O-N 3.04Å; D18-F20 VanDerWaalsContact O-N 3.16Å
19S30.2Very low31.7Very low113 Ų113124.7 Ų124.779%0.7967%0.669SS**  trans-66104.9-175.6-62.50000112.5W21S19-W21 VanDerWaalsContact C-N 3.31Å; S19-W21 PolarHBondContact O-N 2.92Å
20F31.9Very low32.4Very low180 Ų180127 Ų12779%0.78968%0.683SS**  trans-90.532.5170.5-93.6-86.3000113.9D18D18-F20 PolarHBondContact O-N 3.04Å; D18-F20 VanDerWaalsContact O-N 3.16Å
21W30.8Very low33.6Very low235 Ų235130.4 Ų130.489%0.8970%0.702SS**  trans-121.885170.6-65104.5000109.6S19 P23S19-W21 VanDerWaalsContact C-N 3.31Å; S19-W21 PolarHBondContact O-N 2.92Å; W21-P23 WeakPolarHBondContact O-CD 3.3Å
22N30.2Very low35.2Very low120 Ų120127.2 Ų127.264%0.64269%0.686SS**  trans-73.1123.5166.7-162.8-8.1000108.1N24N22-N24 PolarHBondContact O-N 3.23Å
23P31.6Very low37.2Very low117 Ų117124.8 Ų124.876%0.7668%0.676SS**THydrogen-bonded Turntrans-652.8-175.9-20.532.3000115.9W21W21-P23 WeakPolarHBondContact O-CD 3.3Å
24N29.8Very low38.9Very low122 Ų122122.8 Ų122.865%0.65268%0.684SS**THydrogen-bonded Turntrans-98.713.3-172.6-71.9-12.9000115N22 F26N22-N24 PolarHBondContact O-N 3.23Å; N24-F26 PolarHBondContact O-N 2.89Å
25A33.9Very low40.7Very low91 Ų91117.3 Ų117.375%0.75266%0.662SS**THydrogen-bonded Turntrans-73.316-179.400000115.4
26F28.8Very low42.8Very low203 Ų203112.2 Ų112.289%0.8963%0.631SS**THydrogen-bonded Turntrans-114.430.8175.5-85.3-81000113N24 T28N24-F26 PolarHBondContact O-N 2.89Å; F26-T28 PolarHBondContact O-N 3.34Å
27E32.3Very low45.1Very low173 Ų173112.8 Ų112.881%0.80863%0.627SS**SBendtrans-77.8112.2155.8-77.6-173.3163.700108.5D29E27-D29 PolarHBondContact O-N 3.26Å
28T36.2Very low47.4Very low122 Ų122112.1 Ų112.175%0.74861%0.609SS**  trans-42.7109.417330.80000111.5F26 S30F26-T28 PolarHBondContact O-N 3.34Å; T28-S30 PolarHBondContact O-N 3.01Å; T28-S30 PolarHBondContact O-OG 3.2Å
29D46.4Very low49.6Very low77 Ų77107.8 Ų107.841%0.41259%0.587SS.*  trans-69.675.8173.9-135.2-6000108.7E27 D31 L32 R38E27-D29 PolarHBondContact O-N 3.26Å; D29-D31 VanDerWaalsContact C-N 3.29Å; D29-L32 VanDerWaalsContact OD2-CD1 3.27Å; D29-L32 WeakPolarHBondContact OD2-CD1 3.3Å; D29-R38 IonicContact OD1-CZ 2.77Å; D29-R38 IonicContact OD1-NH1 3.77Å; D29-R38 IonicContact OD1-NH2 3.55Å
30S49Very low51.6Low92 Ų92109.9 Ų109.964%0.64358%0.584SS**  trans-84.8-8.2-173.7-44.70000112.2T28T28-S30 PolarHBondContact O-N 3.01Å; T28-S30 PolarHBondContact O-OG 3.2Å
31D59.3Low53.3Low136 Ų136104.5 Ų104.573%0.72756%0.564SS**SBendtrans-108.90.2-167.3-63.2-23.4000113.1D29D29-D31 VanDerWaalsContact C-N 3.29Å
32L68.4Low54.8Low27 Ų27100.4 Ų100.414%0.14157%0.565CS.*SBendtrans-105137.6179.4-66.1-178.9000111.8D29 W36 R38 Y47D29-L32 VanDerWaalsContact OD2-CD1 3.27Å; D29-L32 WeakPolarHBondContact OD2-CD1 3.3Å; L32-W36 HydrophobicContact CB-CB 4.27Å; L32-R38 HydrophobicContact CD1-CB 4.02Å; L32-Y47 HydrophobicContact CD1-CD1 4.23Å; L32-Y47 HydrophobicContact CD1-CE1 4.38Å; L32-Y47 HydrophobicContact CD2-CD1 3.84Å; L32-Y47 HydrophobicContact CD2-CE1 3.8Å
33P70.9Confident56.1Low56 Ų5698.6 Ų98.636%0.36456%0.562SS.*  trans-60153.7173.3-18.429.6000111.7G35 W36 P60P33-G35 PolarHBondContact O-N 2.7Å; P33-W36 WeakPolarHBondContact O-CB 3.02Å; P33-W36 PolarHBondContact O-N 2.8Å; P33-W36 VanDerWaalsContact O-N 3.09Å; P33-P60 VanDerWaalsContact CD-O 3.28Å; P33-P60 WeakPolarHBondContact CD-O 3.45Å; P33-P60 HydrophobicContact CG-CB 4.14Å
34A63.6Low57.9Low100 Ų10094.3 Ų94.383%0.82654%0.539SS*.THydrogen-bonded Turntrans-54.4130.7-179.200000111.9
35G64.1Low60.3Low30 Ų3090.9 Ų90.931%0.30952%0.523SS..THydrogen-bonded Turntrans90.9-3.5-179.100000114.9P33 H49 I50 P51P33-G35 PolarHBondContact O-N 2.7Å; G35-H49 CarbonylContact O-C 3.52Å; G35-H49 WeakPolarHBondContact O-CA 3.35Å; G35-H49 PolarHBondContact O-CD2 3.14Å; G35-I50 PolarHBondContact O-N 2.82Å; G35-P51 WeakPolarHBondContact O-CD 3.5Å
36W73.3Confident62.2Low53 Ų5389.3 Ų89.320%0.20150%0.498CS..EExtended strand (participates in β ladder)trans-98.7141.5175-68.387000112.1L32 P33 W48 H49 Q56 P60L32-W36 HydrophobicContact CB-CB 4.27Å; P33-W36 WeakPolarHBondContact O-CB 3.02Å; P33-W36 PolarHBondContact O-N 2.8Å; P33-W36 VanDerWaalsContact O-N 3.09Å; W36-W48 WeakPolarHBondContact CA-O 3.38Å; W36-H49 AromaticContact CD1-CD2 3.43Å; W36-H49 VanDerWaalsContact CD1-CD2 3.43Å; W36-H49 HydrophobicContact CD2-CB 3.8Å; W36-H49 AromaticContact CD2-CD2 3.68Å; W36-H49 AromaticContact CE2-CD2 3.39Å; W36-H49 AromaticContact CE2-CG 3.72Å; W36-H49 HydrophobicContact CE3-CB 3.68Å; W36-H49 AromaticContact CG-CD2 3.77Å; W36-H49 HydrophobicContact CH2-CB 3.71Å; W36-H49 HydrophobicContact CZ2-CB 3.79Å; W36-H49 AromaticContact CZ2-CD2 4Å; W36-H49 AromaticContact CZ2-CG 3.89Å; W36-H49 HydrophobicContact CZ3-CB 3.65Å; W36-H49 AromaticContact NE1-CD2 3.18Å; W36-H49 PolarHBondContact NE1-CD2 2.79Å; W36-H49 AromaticContact NE1-CG 3.96Å; W36-H49 AromaticContact NE1-NE2 3.73Å; W36-Q56 HydrophobicContact CH2-CG 4.18Å; W36-Q56 HydrophobicContact CZ3-CG 3.76Å; W36-P60 HydrophobicContact CB-CG 4.04Å; W36-P60 HydrophobicContact CD2-CB 3.6Å; W36-P60 HydrophobicContact CD2-CG 3.17Å; W36-P60 HydrophobicContact CE3-CB 3.99Å; W36-P60 HydrophobicContact CE3-CG 3.12Å; W36-P60 HydrophobicContact CG-CB 3.92Å; W36-P60 HydrophobicContact CG-CG 3.62Å; W36-P60 HydrophobicContact CH2-CB 4.39Å; W36-P60 HydrophobicContact CH2-CG 4.14Å; W36-P60 HydrophobicContact CZ2-CB 4.07Å; W36-P60 HydrophobicContact CZ2-CG 4.21Å; W36-P60 HydrophobicContact CZ3-CB 4.36Å; W36-P60 HydrophobicContact CZ3-CG 3.63Å
37M75.9Confident64.7Low74 Ų7480.7 Ų80.737%0.36546%0.459SS..EExtended strand (participates in β ladder)trans-130.8132.8177.1-178.5165.367.900109.8V39 Y47 W48 I50M37-V39 HydrophobicContact CE-CG2 4.07Å; M37-V39 HydrophobicContact CG-CG2 4.31Å; M37-Y47 CarbonylContact O-C 3.6Å; M37-Y47 WeakPolarHBondContact O-CA 3.27Å; M37-W48 HydrophobicContact CE-CE3 3.41Å; M37-W48 VanDerWaalsContact CE-CE3 3.41Å; M37-W48 HydrophobicContact CE-CZ3 3.68Å; M37-W48 PolarHBondContact N-O 2.68Å; M37-W48 PolarHBondContact O-N 3.32Å; M37-I50 HydrophobicContact CB-CD1 4.11Å; M37-I50 HydrophobicContact CB-CG1 4.46Å; M37-I50 HydrophobicContact CE-CD1 4.42Å; M37-I50 HydrophobicContact SD-CD1 4.46Å
38R79.3Confident66.5Low108 Ų10876.9 Ų76.941%0.40844%0.437SS..EExtended strand (participates in β ladder)trans-78.9128.3168.9-174-174.1-64.213211.4109.1D29 L32 T45 Y47D29-R38 IonicContact OD1-CZ 2.77Å; D29-R38 IonicContact OD1-NH1 3.77Å; D29-R38 IonicContact OD1-NH2 3.55Å; L32-R38 HydrophobicContact CD1-CB 4.02Å; R38-T45 HydrophobicContact CG-CG2 3.37Å; R38-Y47 HydrophobicContact CB-CD1 4.03Å; R38-Y47 HydrophobicContact CB-CE1 3.82Å; R38-Y47 HydrophobicContact CG-CD1 4.27Å; R38-Y47 HydrophobicContact CG-CE1 3.74Å; R38-Y47 PolarHBondContact NE-OH 2.93Å
39V76.8Confident68.2Low34 Ų3472.7 Ų72.721%0.20641%0.409CS..EExtended strand (participates in β ladder)trans-122.4131.2177.8-171.50000108.4M37 T45 Y46 W48M37-V39 HydrophobicContact CE-CG2 4.07Å; M37-V39 HydrophobicContact CG-CG2 4.31Å; V39-T45 CarbonylContact O-C 3.56Å; V39-T45 WeakPolarHBondContact O-CA 3.22Å; V39-Y46 HydrophobicContact CB-CD1 4.26Å; V39-Y46 HydrophobicContact CB-CD2 4.13Å; V39-Y46 HydrophobicContact CB-CE1 3.88Å; V39-Y46 HydrophobicContact CB-CE2 3.75Å; V39-Y46 HydrophobicContact CB-CG 4.39Å; V39-Y46 HydrophobicContact CG1-CD1 4.49Å; V39-Y46 HydrophobicContact CG1-CE1 3.68Å; V39-Y46 HydrophobicContact CG1-CE2 4.04Å; V39-Y46 VanDerWaalsContact CG1-CZ 3.42Å; V39-Y46 WeakPolarHBondContact CG1-OH 3.42Å; V39-Y46 HydrophobicContact CG2-CE2 4.09Å; V39-Y46 PolarHBondContact N-O 3.24Å; V39-Y46 PolarHBondContact O-N 2.77Å; V39-W48 HydrophobicContact CG2-CB 4.21Å
40Q72Confident68.8Low158 Ų15873.4 Ų73.474%0.73841%0.412SS*.EExtended strand (participates in β ladder)trans-119.1123.4179.1-170.1171.96.600109.3G44Q40-G44 WeakPolarHBondContact CA-O 3.5Å
41D66.7Low68.7Low66 Ų6673.5 Ų73.535%0.35341%0.411SS..EExtended strand (participates in β ladder)trans-127.8-173.1178.771.612000111.6S43 G44 Y46D41-S43 VanDerWaalsContact CG-OG 3.23Å; D41-S43 PolarHBondContact O-N 3.3Å; D41-S43 VanDerWaalsContact OD1-CA 3.29Å; D41-S43 WeakPolarHBondContact OD1-CA 3.43Å; D41-S43 WeakPolarHBondContact OD1-CB 3.38Å; D41-S43 PolarHBondContact OD1-N 2.97Å; D41-S43 PolarHBondContact OD1-OG 3.09Å; D41-S43 PolarHBondContact OD2-OG 2.99Å; D41-G44 PolarHBondContact N-O 2.9Å; D41-G44 PolarHBondContact O-N 2.93Å; D41-G44 PolarHBondContact OD1-N 3.28Å; D41-Y46 HydrophobicContact CB-CE1 4.28Å; D41-Y46 VanDerWaalsContact OD2-CE1 3.3Å; D41-Y46 WeakPolarHBondContact OD2-CE1 3.32Å
42T62.2Low68.2Low149 Ų14971.2 Ų71.291%0.91440%0.402SS*.THydrogen-bonded Turntrans-65.5-11.6178.650.20000114.2
43S58.9Low67.8Low82 Ų8272.1 Ų72.157%0.57342%0.418SS*.THydrogen-bonded Turntrans-105.5-12.2-178.769.30000113.8D41 W57D41-S43 VanDerWaalsContact CG-OG 3.23Å; D41-S43 PolarHBondContact O-N 3.3Å; D41-S43 VanDerWaalsContact OD1-CA 3.29Å; D41-S43 WeakPolarHBondContact OD1-CA 3.43Å; D41-S43 WeakPolarHBondContact OD1-CB 3.38Å; D41-S43 PolarHBondContact OD1-N 2.97Å; D41-S43 PolarHBondContact OD1-OG 3.09Å; D41-S43 PolarHBondContact OD2-OG 2.99Å; S43-W57 WeakPolarHBondContact OG-CH2 2.82Å
44G67.4Low67.4Low28 Ų2872.9 Ų72.929%0.28942%0.421SS..EExtended strand (participates in β ladder)trans143.9-160.6173.500000112.8Q40 D41Q40-G44 WeakPolarHBondContact CA-O 3.5Å; D41-G44 PolarHBondContact N-O 2.9Å; D41-G44 PolarHBondContact O-N 2.93Å; D41-G44 PolarHBondContact OD1-N 3.28Å
45T81.3Confident68Low50 Ų5072.3 Ų72.331%0.30741%0.408SS..EExtended strand (participates in β ladder)trans-103.2122.4173.6-57.40000109.2R38 V39 Y47R38-T45 HydrophobicContact CG-CG2 3.37Å; V39-T45 CarbonylContact O-C 3.56Å; V39-T45 WeakPolarHBondContact O-CA 3.22Å; T45-Y47 HydrophobicContact CG2-CE2 4.35Å
46Y74.5Confident68.6Low58 Ų5873.6 Ų73.623%0.22741%0.406CS..EExtended strand (participates in β ladder)trans-122.7162.2171.766.9-84.9000110.9V39 D41 T55 Q56 W57V39-Y46 HydrophobicContact CB-CD1 4.26Å; V39-Y46 HydrophobicContact CB-CD2 4.13Å; V39-Y46 HydrophobicContact CB-CE1 3.88Å; V39-Y46 HydrophobicContact CB-CE2 3.75Å; V39-Y46 HydrophobicContact CB-CG 4.39Å; V39-Y46 HydrophobicContact CG1-CD1 4.49Å; V39-Y46 HydrophobicContact CG1-CE1 3.68Å; V39-Y46 HydrophobicContact CG1-CE2 4.04Å; V39-Y46 VanDerWaalsContact CG1-CZ 3.42Å; V39-Y46 WeakPolarHBondContact CG1-OH 3.42Å; V39-Y46 HydrophobicContact CG2-CE2 4.09Å; V39-Y46 PolarHBondContact N-O 3.24Å; V39-Y46 PolarHBondContact O-N 2.77Å; D41-Y46 HydrophobicContact CB-CE1 4.28Å; D41-Y46 VanDerWaalsContact OD2-CE1 3.3Å; D41-Y46 WeakPolarHBondContact OD2-CE1 3.32Å; Y46-T55 HydrophobicContact CD2-CG2 4.26Å; Y46-T55 HydrophobicContact CE2-CG2 4.25Å; Y46-Q56 CarbonylContact C-O 3.57Å; Y46-Q56 WeakPolarHBondContact CA-O 3.37Å; Y46-Q56 WeakPolarHBondContact CB-O 3.43Å; Y46-W57 HydrophobicContact CD1-CH2 4.21Å; Y46-W57 HydrophobicContact CD1-CZ3 4.12Å; Y46-W57 HydrophobicContact CG-CZ3 4.39Å
47Y81.1Confident69Low21 Ų2177.8 Ų77.88%0.08242%0.422CS..EExtended strand (participates in β ladder)trans-117.4128-176.5-60.8-91.5000109L32 M37 R38 T45 T55 Q56 W57 E58 P59 P60L32-Y47 HydrophobicContact CD1-CD1 4.23Å; L32-Y47 HydrophobicContact CD1-CE1 4.38Å; L32-Y47 HydrophobicContact CD2-CD1 3.84Å; L32-Y47 HydrophobicContact CD2-CE1 3.8Å; M37-Y47 CarbonylContact O-C 3.6Å; M37-Y47 WeakPolarHBondContact O-CA 3.27Å; R38-Y47 HydrophobicContact CB-CD1 4.03Å; R38-Y47 HydrophobicContact CB-CE1 3.82Å; R38-Y47 HydrophobicContact CG-CD1 4.27Å; R38-Y47 HydrophobicContact CG-CE1 3.74Å; R38-Y47 PolarHBondContact NE-OH 2.93Å; T45-Y47 HydrophobicContact CG2-CE2 4.35Å; Y47-T55 CarbonylContact O-C 3.57Å; Y47-T55 WeakPolarHBondContact O-CA 3.48Å; Y47-Q56 PolarHBondContact N-O 3.07Å; Y47-Q56 PolarHBondContact O-N 3.23Å; Y47-W57 WeakPolarHBondContact CE2-O 3.33Å; Y47-E58 WeakPolarHBondContact CD2-O 3.44Å; Y47-P59 HydrophobicContact CE1-CB 4.11Å; Y47-P59 HydrophobicContact CE2-CB 3.97Å; Y47-P59 HydrophobicContact CE2-CG 3.8Å; Y47-P60 HydrophobicContact CD1-CG 4.43Å; Y47-P60 HydrophobicContact CG-CG 4.33Å
48W70.1Confident69Low93 Ų9380.2 Ų80.235%0.35243%0.432SS..EExtended strand (participates in β ladder)trans-115.3124.4-176.5-178.737.3000110.4W36 M37 V39 I50 T55W36-W48 WeakPolarHBondContact CA-O 3.38Å; M37-W48 HydrophobicContact CE-CE3 3.41Å; M37-W48 VanDerWaalsContact CE-CE3 3.41Å; M37-W48 HydrophobicContact CE-CZ3 3.68Å; M37-W48 PolarHBondContact N-O 2.68Å; M37-W48 PolarHBondContact O-N 3.32Å; V39-W48 HydrophobicContact CG2-CB 4.21Å; W48-I50 HydrophobicContact CD2-CG1 4.44Å; W48-I50 HydrophobicContact CE3-CG1 4.29Å; W48-I50 HydrophobicContact CZ3-CG1 4.49Å; W48-I50 PolarHBondContact O-N 3.49Å; W48-T55 HydrophobicContact CB-CG2 4.33Å; W48-T55 HydrophobicContact CG-CG2 4.19Å
49H70.8Confident68.9Low34 Ų3477.2 Ų77.216%0.15743%0.427CS..EExtended strand (participates in β ladder)trans-89.8101.2173.1-168.3-123000109.8G35 W36 T52 G53 T54G35-H49 CarbonylContact O-C 3.52Å; G35-H49 WeakPolarHBondContact O-CA 3.35Å; G35-H49 PolarHBondContact O-CD2 3.14Å; W36-H49 AromaticContact CD1-CD2 3.43Å; W36-H49 VanDerWaalsContact CD1-CD2 3.43Å; W36-H49 HydrophobicContact CD2-CB 3.8Å; W36-H49 AromaticContact CD2-CD2 3.68Å; W36-H49 AromaticContact CE2-CD2 3.39Å; W36-H49 AromaticContact CE2-CG 3.72Å; W36-H49 HydrophobicContact CE3-CB 3.68Å; W36-H49 AromaticContact CG-CD2 3.77Å; W36-H49 HydrophobicContact CH2-CB 3.71Å; W36-H49 HydrophobicContact CZ2-CB 3.79Å; W36-H49 AromaticContact CZ2-CD2 4Å; W36-H49 AromaticContact CZ2-CG 3.89Å; W36-H49 HydrophobicContact CZ3-CB 3.65Å; W36-H49 AromaticContact NE1-CD2 3.18Å; W36-H49 PolarHBondContact NE1-CD2 2.79Å; W36-H49 AromaticContact NE1-CG 3.96Å; W36-H49 AromaticContact NE1-NE2 3.73Å; H49-T52 WeakPolarHBondContact ND1-CG2 3.23Å; H49-T52 PolarHBondContact ND1-OG1 2.83Å; H49-T52 PolarHBondContact O-N 2.84Å; H49-G53 WeakPolarHBondContact O-CA 3.5Å; H49-G53 PolarHBondContact O-N 2.83Å; H49-T54 PolarHBondContact N-O 2.84Å; H49-T54 PolarHBondContact O-N 2.84Å
50I58.6Low68.4Low92 Ų9276.1 Ų76.147%0.47242%0.42SS..THydrogen-bonded Turntrans-58.7-41.7-172.3-56.8168.9000112.4G35 M37 W48 T52G35-I50 PolarHBondContact O-N 2.82Å; M37-I50 HydrophobicContact CB-CD1 4.11Å; M37-I50 HydrophobicContact CB-CG1 4.46Å; M37-I50 HydrophobicContact CE-CD1 4.42Å; M37-I50 HydrophobicContact SD-CD1 4.46Å; W48-I50 HydrophobicContact CD2-CG1 4.44Å; W48-I50 HydrophobicContact CE3-CG1 4.29Å; W48-I50 HydrophobicContact CZ3-CG1 4.49Å; W48-I50 PolarHBondContact O-N 3.49Å; I50-T52 PolarHBondContact O-N 2.93Å
51P48.5Very low68Low94 Ų9472.2 Ų72.261%0.6142%0.422SS*.THydrogen-bonded Turntrans-67.8-29.2-179.1-22.334.4000115.1G35G35-P51 WeakPolarHBondContact O-CD 3.5Å
52T48.3Very low67.2Low88 Ų8879.1 Ų79.154%0.5444%0.443SS..THydrogen-bonded Turntrans-110.8-9.4-175.8650000113.5H49 I50 T54H49-T52 WeakPolarHBondContact ND1-CG2 3.23Å; H49-T52 PolarHBondContact ND1-OG1 2.83Å; H49-T52 PolarHBondContact O-N 2.84Å; I50-T52 PolarHBondContact O-N 2.93Å; T52-T54 PolarHBondContact O-N 2.85Å; T52-T54 WeakPolarHBondContact OG1-CB 2.97Å; T52-T54 PolarHBondContact OG1-OG1 3.24Å
53G59.7Low66Low47 Ų4776.5 Ų76.549%0.48544%0.437SS..THydrogen-bonded Turntrans72.710.3-175.700000114.3H49H49-G53 WeakPolarHBondContact O-CA 3.5Å; H49-G53 PolarHBondContact O-N 2.83Å
54T61.8Low64.6Low71 Ų7177.8 Ų77.844%0.43645%0.446SS..EExtended strand (participates in β ladder)trans-80.9135.2-174.9-490000111.2H49 T52H49-T54 PolarHBondContact N-O 2.84Å; H49-T54 PolarHBondContact O-N 2.84Å; T52-T54 PolarHBondContact O-N 2.85Å; T52-T54 WeakPolarHBondContact OG1-CB 2.97Å; T52-T54 PolarHBondContact OG1-OG1 3.24Å
55T76.9Confident63Low89 Ų8982 Ų8255%0.54647%0.468SS..EExtended strand (participates in β ladder)trans-115.8141.7175.754.70000111.2Y46 Y47 W48Y46-T55 HydrophobicContact CD2-CG2 4.26Å; Y46-T55 HydrophobicContact CE2-CG2 4.25Å; Y47-T55 CarbonylContact O-C 3.57Å; Y47-T55 WeakPolarHBondContact O-CA 3.48Å; W48-T55 HydrophobicContact CB-CG2 4.33Å; W48-T55 HydrophobicContact CG-CG2 4.19Å
56Q76.9Confident60.6Low56 Ų5684.9 Ų84.926%0.26249%0.49SS..EExtended strand (participates in β ladder)trans-145.1154.7175.962.9-176.560.600111.2W36 Y46 Y47 E58W36-Q56 HydrophobicContact CH2-CG 4.18Å; W36-Q56 HydrophobicContact CZ3-CG 3.76Å; Y46-Q56 CarbonylContact C-O 3.57Å; Y46-Q56 WeakPolarHBondContact CA-O 3.37Å; Y46-Q56 WeakPolarHBondContact CB-O 3.43Å; Y47-Q56 PolarHBondContact N-O 3.07Å; Y47-Q56 PolarHBondContact O-N 3.23Å; Q56-E58 WeakPolarHBondContact CG-O 3.46Å; Q56-E58 PolarHBondContact NE2-O 2.89Å
57W81.7Confident58.6Low142 Ų14291.5 Ų91.554%0.53852%0.523SS..SBendtrans-86.7-23179.3-64.598.8000112S43 Y46 Y47S43-W57 WeakPolarHBondContact OG-CH2 2.82Å; Y46-W57 HydrophobicContact CD1-CH2 4.21Å; Y46-W57 HydrophobicContact CD1-CZ3 4.12Å; Y46-W57 HydrophobicContact CG-CZ3 4.39Å; Y47-W57 WeakPolarHBondContact CE2-O 3.33Å
58E75.9Confident56.3Low125 Ų12594 Ų9458%0.58456%0.556SS**SBendtrans-85.5146.6178.8-60.376.6-164.200112.8Y47 Q56 P60Y47-E58 WeakPolarHBondContact CD2-O 3.44Å; Q56-E58 WeakPolarHBondContact CG-O 3.46Å; Q56-E58 PolarHBondContact NE2-O 2.89Å; E58-P60 WeakPolarHBondContact O-CD 3.43Å
59P77.6Confident54.4Low45 Ų4595.5 Ų95.529%0.29258%0.58SS.*PPolyproline II helixtrans-66127.1175.2-13.925.6000111.9Y47 G61Y47-P59 HydrophobicContact CE1-CB 4.11Å; Y47-P59 HydrophobicContact CE2-CB 3.97Å; Y47-P59 HydrophobicContact CE2-CG 3.8Å; P59-G61 PolarHBondContact O-N 2.78Å
60P65.5Low52.4Low11 Ų1199.3 Ų99.37%0.07161%0.611CS.*THydrogen-bonded Turntrans-65.9129.5173.8-6.818000109.9P33 W36 Y47 E58P33-P60 VanDerWaalsContact CD-O 3.28Å; P33-P60 WeakPolarHBondContact CD-O 3.45Å; P33-P60 HydrophobicContact CG-CB 4.14Å; W36-P60 HydrophobicContact CB-CG 4.04Å; W36-P60 HydrophobicContact CD2-CB 3.6Å; W36-P60 HydrophobicContact CD2-CG 3.17Å; W36-P60 HydrophobicContact CE3-CB 3.99Å; W36-P60 HydrophobicContact CE3-CG 3.12Å; W36-P60 HydrophobicContact CG-CB 3.92Å; W36-P60 HydrophobicContact CG-CG 3.62Å; W36-P60 HydrophobicContact CH2-CB 4.39Å; W36-P60 HydrophobicContact CH2-CG 4.14Å; W36-P60 HydrophobicContact CZ2-CB 4.07Å; W36-P60 HydrophobicContact CZ2-CG 4.21Å; W36-P60 HydrophobicContact CZ3-CB 4.36Å; W36-P60 HydrophobicContact CZ3-CG 3.63Å; Y47-P60 HydrophobicContact CD1-CG 4.43Å; Y47-P60 HydrophobicContact CG-CG 4.33Å; E58-P60 WeakPolarHBondContact O-CD 3.43Å
61G63.9Low51.5Low75 Ų75100.8 Ų100.877%0.77363%0.626SS**THydrogen-bonded Turntrans96.91.2174.100000116.5P59 A63P59-G61 PolarHBondContact O-N 2.78Å; G61-A63 PolarHBondContact O-N 2.72Å
62R49.1Very low50.5Low211 Ų211104.4 Ų104.480%0.79664%0.635SS**  trans-79.498.1166.6-92.7-173.8177.6-172.70.4110.9S64R62-S64 PolarHBondContact O-N 2.95Å
63A36.7Very low49.6Very low94 Ų94107.1 Ų107.178%0.77764%0.642SS**PPolyproline II helixtrans-70.7116.6149.800000107.6G61G61-A63 PolarHBondContact O-N 2.72Å
64S30.9Very low48Very low110 Ų110112.7 Ų112.777%0.76966%0.655SS**PPolyproline II helixtrans-59.5132.1175-61.20000110.5R62R62-S64 PolarHBondContact O-N 2.95Å
65P32.9Very low46.2Very low116 Ų116114 Ų11475%0.75367%0.668SS**PPolyproline II helixtrans-73.5128.9168.629.4-29.4000109.2
66S32.3Very low43.7Very low110 Ų110117.5 Ų117.577%0.76968%0.677SS**  trans62.5105.5166.663.80000118.1
67Q31.9Very low41.4Very low197 Ų197121 Ų12192%0.92170%0.697SS**  -147.612898.2-73.5-150.3-20.400108.4
68G33.3Very low38.6Very low74 Ų74119.4 Ų119.476%0.76370%0.704SS**  trans-72.8141.4-178.500000111.9
69S30.3Very low36.2Very low125 Ų125124 Ų12487%0.87472%0.716SS**  trans-169.6141.8139.3-75.90000108.1
70S28.8Very low33.8Very low114 Ų114126.8 Ų126.880%0.79773%0.732SS**  trans-59.6164.3-17039.90000116.3
71P38.5Very low31.8Very low123 Ų123129.4 Ų129.480%0.79976%0.761SS**  trans-90.4147.9-171.936.1-31.3000112.8
72Q28.1Very low29.9Very low169 Ų169135.3 Ų135.379%0.7977%0.766SS**  trans-152.3128.1152.4-131.3-178.1-45.200112.8
73E28.1Very low28.8Very low146 Ų146129.5 Ų129.568%0.68276%0.763SS**  trans43.7126.8150.6-87.9164.7127.300123.4
74E26Very low28.3Very low163 Ų163133.7 Ų133.776%0.76277%0.766SS**  36.3132.9128.7-108.9176.7126.800118.9
75S25.1Very low28.1Very low100 Ų100136.2 Ų136.270%0.69977%0.765SS**  177.614556.926.50000111.5
76Q24.3Very low27.8Very low161 Ų161138.9 Ų138.975%0.75277%0.768SS**  trans17.6127.4138.8-85.8-1663200122.3
77L28.3Very low27.5Very low130 Ų130137.4 Ų137.468%0.68177%0.77SS**  trans99.5123.7133.4-65.6163.7000120.2
78T23.8Very low27.2Very low109 Ų109136.3 Ų136.367%0.66976%0.763SS**  trans65.8154.713456.20000119.5
79W23.9Very low26.9Very low222 Ų222139.4 Ų139.484%0.84176%0.757SS**  cis-157.7177.3-1.9-116.1109.8000105.1
80T28Very low26.7Very low102 Ų102142 Ų14263%0.62676%0.756SS**  trans-40.1145.317351.90000119
81G23.3Very low26.6Very low66 Ų66139.6 Ų139.668%0.6875%0.748SS**  trans70.6151.8138.900000117.3
82F24.8Very low26.1Very low200 Ų200142.1 Ų142.188%0.87775%0.75SS**  cis-163.516818.2-89.9-90000108.8
83A25.9Very low26Very low89 Ų89143 Ų14374%0.73675%0.751SS**  trans18.3131.5146.700000121.8
84H26.8Very low26.2Very low182 Ų182145 Ų14584%0.84375%0.752SS**  trans42.6103.3140.9-84.8-57.2000121
85Q24.8Very low26.1Very low163 Ų163144.8 Ų144.876%0.76275%0.749SS**  -1.7119.8126.2-139.4-179.4-9.300117.4
86E27.9Very low26.1Very low171 Ų171145.3 Ų145.380%0.79974%0.744SS**  168.1136.698.2-90.8-163.9162.100112.9
87G25.5Very low26.2Very low80 Ų80146 Ų14683%0.82575%0.747SS**  trans73.1140.9152.600000117.4
88F24.8Very low26.9Very low174 Ų174144 Ų14476%0.76374%0.742SS**  cis-173.9150.54.1-173.4-107.1000105.7
89E27.6Very low27Very low139 Ų139143.9 Ų143.965%0.6575%0.746SS**  trans5.2150.9156.9-52.5-178.7169.300119.3
90E26.9Very low27.2Very low180 Ų180141.8 Ų141.884%0.84175%0.745SS**  cis-175.5166.511.5-130.1-175.716900105.4
91G25.3Very low27.1Very low62 Ų62145.7 Ų145.764%0.63976%0.756SS**  trans105.980.8143.100000119.4
92E28.5Very low27.3Very low177 Ų177146.9 Ų146.983%0.82776%0.76SS**  44.7117.7119.3-54178.3-175.200120.7
93F26.8Very low28.4Very low188 Ų188142.8 Ų142.883%0.82575%0.753SS**  trans-167.3104.7133.9-151.4-110.3000113.9
94W31.1Very low28.3Very low186 Ų186147.8 Ų147.871%0.70576%0.764SS**  trans27.6121.5154.7-51.698.7000121.5
95K24.1Very low28.5Very low159 Ų159147.5 Ų147.569%0.69176%0.763SS**  54.8137.185.1-81.9-174.5144.8-114.10113.1
96D26.2Very low28.5Very low112 Ų112148.2 Ų148.260%0.59977%0.771SS**  cis-169.7141.55.4-96.6-30.9000105.5
97E26.4Very low28.3Very low175 Ų175143.2 Ų143.282%0.81877%0.765SS**  trans43.9169.2134.2-85.5-140.2110.300124
98P41.3Very low28.5Very low87 Ų87147.5 Ų147.557%0.56577%0.769SS**  -143.2-162.6-56.742.4-22.4000112.8
99S26.3Very low28.6Very low107 Ų107149.1 Ų149.175%0.74878%0.775SS**  trans72.8149.7153.961.40000118.2
100E28.4Very low28.6Very low178 Ų178149.7 Ų149.783%0.83278%0.783SS**  cis-166.8-179.4-13-115.9-148.5150.400105.3
101E26Very low29.3Very low184 Ų184146.3 Ų146.386%0.8678%0.776SS**  trans102128157-51.2-161.9173.500119.2
102A27.6Very low29.5Very low91 Ų91151.5 Ų151.575%0.75278%0.784SS**  trans-101.8-157.1175.800000110.6
103P47.3Very low29.5Very low114 Ų114150.8 Ų150.874%0.7478%0.78SS**  -116159.1-96.935.6-19.6000113.7
104M23.6Very low29.5Very low195 Ų195146.7 Ų146.796%0.96178%0.782SS**  trans-164.6143.8156.6-125174.8-82.400114.9
105E31.6Very low29.4Very low176 Ų176143.1 Ų143.182%0.82278%0.78SS**  trans-73.5161.2171.7-68.8-147.9152.700114.1
106L25.5Very low29.5Very low177 Ų177143.4 Ų143.493%0.92779%0.789SS**  173.1136.8127.8-92.9164.4000112
107G24.4Very low29.6Very low66 Ų66143.3 Ų143.368%0.6880%0.797SS**  112.790.6128.500000121.5
108L28.1Very low29.6Very low171 Ų171144.4 Ų144.490%0.89580%0.799SS**  51.4124.9124.3-58.6171.6000122.2
109K27.7Very low29.2Very low207 Ų207146.3 Ų146.390%0.981%0.811SS**  -173.9116.5120.1-105.5171.9173.1-177.80113.4
110D28Very low29.2Very low152 Ų152145.9 Ų145.981%0.81382%0.815SS**  trans-82.5168152.7-72-56.4000110.1
111P40.1Very low29.1Very low108 Ų108147 Ų14770%0.70182%0.82SS**  -145.6150.990.533.6-14.2000117.4
112E31.5Very low29.3Very low171 Ų171143.3 Ų143.380%0.79982%0.815SS**  trans67.4144.2134.6-68.9174165.500120.8
113E26.6Very low29.2Very low162 Ų162147.3 Ų147.376%0.75782%0.822SS**  cis-179.3130.8-10.7-177.4178.9-159.200105.3
114A27.1Very low28.3Very low103 Ų103147.2 Ų147.285%0.85182%0.824SS**  trans-165.394.2158.200000111.3
115T28.9Very low29.1Very low110 Ų110143.2 Ų143.268%0.67581%0.813SS**  trans-48.5145.8166.8-19.50000111.4
116L28Very low28.8Very low166 Ų166143.5 Ų143.587%0.86981%0.814SS**  -170.5154.588.6-82.9175.9000113.7
117S27Very low29Very low110 Ų110140.5 Ų140.577%0.76981%0.805SS**  trans-82.1151.7-160.7-169.10000115.9
118F27.3Very low29.2Very low197 Ų197143.8 Ų143.886%0.86481%0.812SS**  trans-85.7161.8159.4-71.9-83.5000111.1
119P32.7Very low29.3Very low127 Ų127141.2 Ų141.283%0.82581%0.806SS**  trans-128.1136.4134.132.5-20.6000112.4
120A26.1Very low29.4Very low99 Ų99140 Ų14082%0.81880%0.803SS**  trans-84.1138.1167.500000110.4
121Q26.7Very low29.7Very low201 Ų201141.4 Ų141.494%0.93981%0.805SS**  trans-133.7130.6152.3-79.7-170.4-3.700109.7
122S28.6Very low29.3Very low107 Ų107143.7 Ų143.775%0.74881%0.806SS**  trans-84.8132.2-172.41280000111.1
123L25.7Very low29.5Very low174 Ų174144.8 Ų144.891%0.91181%0.811SS**  trans-153.9122.1146.7-74.4179.3000109.2
124S28.4Very low29.5Very low112 Ų112143.5 Ų143.578%0.78380%0.803SS**  trans-107.3178.6163.3-37.30000108.3
125P40.8Very low29.6Very low112 Ų112146.6 Ų146.673%0.72780%0.804SS**  cis-134.7165.3-19.236.2-18.3000113.6
126E25.8Very low29.7Very low182 Ų182145.6 Ų145.685%0.8580%0.802SS**  trans164.1155.6132.6-96.5-168.598.400112.9
127P30.6Very low30Very low113 Ų113145.1 Ų145.173%0.73480%0.795SS**  trans-102.4139.7-130.737.5-31.7000112.7
128V27.4Very low30.6Very low135 Ų135150 Ų15082%0.81880%0.797SS**  trans-111.6131.1164.4-168.50000106.5Q130V128-Q130 PolarHBondContact O-N 3.06Å; V128-Q130 VanDerWaalsContact O-N 3.08Å
129P30.5Very low30.9Very low118 Ų118147.1 Ų147.177%0.76679%0.791SS**  trans-64.3118.5-169.3-11.525.5000108.9E131P129-E131 VanDerWaalsContact C-N 3.34Å; P129-E131 PolarHBondContact O-N 2.71Å
130Q28.8Very low31.1Very low180 Ų180145.4 Ų145.484%0.84179%0.787SS**  trans-64.6103163.2-164.31720.800105.5V128 E132V128-Q130 PolarHBondContact O-N 3.06Å; V128-Q130 VanDerWaalsContact O-N 3.08Å; Q130-E132 PolarHBondContact O-N 2.96Å
131E34.5Very low32Very low183 Ų183145.3 Ų145.386%0.85577%0.773SS**  trans-5892.5160.2-69.2-17615100105.7P129 E133P129-E131 VanDerWaalsContact C-N 3.34Å; P129-E131 PolarHBondContact O-N 2.71Å; E131-E133 PolarHBondContact O-N 2.61Å
132E32.8Very low33.5Very low156 Ų156142.5 Ų142.573%0.72977%0.772SS**  trans-48.7114.5151.3-74.6-176.7135.100104.9Q130 K134Q130-E132 PolarHBondContact O-N 2.96Å; E132-K134 PolarHBondContact O-N 3.11Å
133E35.2Very low35.3Very low193 Ų193140.4 Ų140.490%0.90277%0.767SS**  trans-6076159.4-79-174.8119.900107.4E131 L135E131-E133 PolarHBondContact O-N 2.61Å; E133-L135 PolarHBondContact O-N 3.41Å
134K26.9Very low38.1Very low136 Ų136134.6 Ų134.659%0.59174%0.736SS**  trans-58.694.5153.9-92.8-171.9174.8-166.10104.6E132 S136 Q137E132-K134 PolarHBondContact O-N 3.11Å; K134-S136 PolarHBondContact O-N 2.75Å; K134-Q137 VanDerWaalsContact NZ-OE1 3.14Å
135L29.3Very low41.2Very low167 Ų167132.6 Ų132.687%0.87471%0.713SS**  trans-50.790.3147.8-92.7155.1000107.3E133 Q137E133-L135 PolarHBondContact O-N 3.41Å; L135-Q137 PolarHBondContact O-N 3.11Å
136S30.1Very low43.7Very low90 Ų90130.3 Ų130.363%0.62970%0.7SS**  trans31.581.4147.9-52.30000114K134 R138K134-S136 PolarHBondContact O-N 2.75Å; S136-R138 PolarHBondContact O-N 3.08Å
137Q35.6Very low47.1Very low156 Ų156123 Ų12373%0.72967%0.665SS**  trans-62.268.9147.6-75175.2-32.300108K134 L135K134-Q137 VanDerWaalsContact NZ-OE1 3.14Å; L135-Q137 PolarHBondContact O-N 3.11Å
138R38.1Very low50.2Low211 Ų211119.2 Ų119.280%0.79664%0.643SS**  trans-108.1104.7178.6-162.8171.9-173.4179.10.9106.3S136S136-R138 PolarHBondContact O-N 3.08Å
139N34.4Very low53.5Low138 Ų138113 Ų11374%0.73861%0.606SS**  trans72.561.6179.2-51.3-27.4000115.1N141N139-N141 PolarHBondContact O-N 3.01Å
140A36.8Very low56.5Low90 Ų90113 Ų11374%0.74459%0.591SS**  trans-7185.9158.400000108.5P142A140-P142 VanDerWaalsContact O-CD 3.3Å; A140-P142 WeakPolarHBondContact O-CD 3.26Å
141N45Very low59.7Low97 Ų97104.5 Ų104.552%0.51955%0.551SS.*  trans-53.1121.9153.7-85.3-14.4000106.1N139 G143 I144N139-N141 PolarHBondContact O-N 3.01Å; N141-G143 PolarHBondContact O-N 2.88Å; N141-I144 HydrophobicContact CB-CD1 3.75Å; N141-I144 HydrophobicContact CB-CG1 3.91Å; N141-I144 PolarHBondContact O-N 3.21Å; N141-I144 VanDerWaalsContact O-N 3.14Å
142P57.2Low62.4Low143 Ų14396.4 Ų96.493%0.92951%0.513SS*.THydrogen-bonded Turntrans-58.2-6.8-175.7-25.833.8000115.2A140A140-P142 VanDerWaalsContact O-CD 3.3Å; A140-P142 WeakPolarHBondContact O-CD 3.26Å
143G67.2Low65.3Low62 Ų6289.3 Ų89.364%0.63948%0.482SS*.THydrogen-bonded Turntrans-100.6-8.6-179.200000116.5N141N141-G143 PolarHBondContact O-N 2.88Å
144I84.9Confident68Low53 Ų5383.6 Ų83.627%0.27245%0.452SS..  trans-94.6120.8-176.2-53.9172.7000110N141 E204N141-I144 HydrophobicContact CB-CD1 3.75Å; N141-I144 HydrophobicContact CB-CG1 3.91Å; N141-I144 PolarHBondContact O-N 3.21Å; N141-I144 VanDerWaalsContact O-N 3.14Å; I144-E204 HydrophobicContact CD1-CG 4.31Å; I144-E204 WeakPolarHBondContact CD1-OE1 3.45Å; I144-E204 HydrophobicContact CG1-CB 4.24Å; I144-E204 HydrophobicContact CG1-CG 3.88Å; I144-E204 WeakPolarHBondContact CG1-OE1 3.41Å; I144-E204 HydrophobicContact CG2-CB 4.29Å
145K92.3Very high71.2Confident69 Ų6978.3 Ų78.330%0.343%0.431SS..EExtended strand (participates in β ladder)trans-100.2121.1172.6-62.2179.7177.7179.80109.6F147 Q202 L203 S269 E272K145-F147 HydrophobicContact CB-CE2 3.81Å; K145-F147 HydrophobicContact CB-CZ 4.05Å; K145-Q202 CarbonylContact O-C 3.57Å; K145-Q202 WeakPolarHBondContact O-CA 3.33Å; K145-L203 HydrophobicContact CB-CB 4.38Å; K145-L203 PolarHBondContact N-O 3Å; K145-L203 PolarHBondContact O-N 3.12Å; K145-S269 VanDerWaalsContact CD-OG 3.25Å; K145-S269 WeakPolarHBondContact CD-OG 3.45Å; K145-S269 PolarHBondContact NZ-OG 2.84Å; K145-S269 VanDerWaalsContact NZ-OG 3.11Å; K145-E272 IonicContact NZ-OE2 3.83Å; K145-E272 PolarHBondContact NZ-OE2 2.96Å
146C94.9Very high74.3Confident65 Ų6575.8 Ų75.844%0.43942%0.415SS..EExtended strand (participates in β ladder)trans-117.9135.3-175.7-170.30000110.9L201 Q202C146-L201 CarbonylContact C-O 3.6Å; C146-L201 WeakPolarHBondContact CA-O 3.25Å; C146-Q202 HydrophobicContact CB-CG 4.19Å
147F96.4Very high77.1Confident28 Ų2871.9 Ų71.912%0.12339%0.387CS..EExtended strand (participates in β ladder)trans-133.1127.2-177.5-53.9-86.4000110.3K145 V149 L201 L203 N265 I266K145-F147 HydrophobicContact CB-CE2 3.81Å; K145-F147 HydrophobicContact CB-CZ 4.05Å; F147-V149 HydrophobicContact CB-CG1 4.3Å; F147-V149 PolarHBondContact O-N 3.29Å; F147-L201 HydrophobicContact CB-CB 4.45Å; F147-L201 HydrophobicContact CD2-CD2 4.04Å; F147-L201 PolarHBondContact N-O 2.68Å; F147-L201 PolarHBondContact O-N 3.1Å; F147-L203 HydrophobicContact CE2-CD1 3.99Å; F147-L203 HydrophobicContact CE2-CG 4.3Å; F147-N265 HydrophobicContact CE1-CB 3.93Å; F147-I266 HydrophobicContact CB-CD1 3.87Å; F147-I266 HydrophobicContact CB-CG1 4.09Å; F147-I266 HydrophobicContact CD1-CD1 4.37Å; F147-I266 HydrophobicContact CD1-CG1 3.67Å; F147-I266 HydrophobicContact CD2-CD1 4.33Å; F147-I266 HydrophobicContact CD2-CG1 3.83Å; F147-I266 HydrophobicContact CE1-CG1 4Å; F147-I266 HydrophobicContact CE2-CG1 4.14Å; F147-I266 HydrophobicContact CG-CD1 3.95Å; F147-I266 HydrophobicContact CG-CG1 3.58Å; F147-I266 HydrophobicContact CZ-CG1 4.21Å
148A96.3Very high79.8Confident33 Ų3367.5 Ų67.527%0.27337%0.371SS..EExtended strand (participates in β ladder)trans-75123.617100000110L200 E260A148-L200 HydrophobicContact CB-CD2 4.48Å; A148-E260 HydrophobicContact CB-CB 4.3Å; A148-E260 HydrophobicContact CB-CG 4Å; A148-E260 WeakPolarHBondContact CB-OE2 3.49Å; A148-E260 PolarHBondContact O-N 3.21Å; A148-E260 VanDerWaalsContact O-N 3.13Å
149V96.3Very high82.1Confident5 Ų561.4 Ų61.43%0.0335%0.351CS..EExtended strand (participates in β ladder)trans-140.5153.9-176.4-57.10000111.4F147 L199 L201 F257 R258 C259 I266F147-V149 HydrophobicContact CB-CG1 4.3Å; F147-V149 PolarHBondContact O-N 3.29Å; V149-L199 HydrophobicContact CG2-CB 4.07Å; V149-L199 PolarHBondContact N-O 2.81Å; V149-L199 PolarHBondContact O-N 2.99Å; V149-L201 HydrophobicContact CG1-CB 4.14Å; V149-L201 HydrophobicContact CG2-CB 3.89Å; V149-F257 HydrophobicContact CB-CB 4.09Å; V149-F257 HydrophobicContact CG2-CB 4.33Å; V149-F257 HydrophobicContact CG2-CD1 3.92Å; V149-F257 HydrophobicContact CG2-CG 4.39Å; V149-R258 CarbonylContact C-O 3.59Å; V149-R258 VanDerWaalsContact CA-O 3.3Å; V149-R258 WeakPolarHBondContact CA-O 3.29Å; V149-C259 HydrophobicContact CG1-CB 4.31Å; V149-I266 HydrophobicContact CG1-CD1 3.99Å
150R94.5Very high84.6Confident119 Ų11960.6 Ų60.645%0.44934%0.343SS..EExtended strand (participates in β ladder)trans-111.6124.6170-179.4171.3-65.6175.4-1.7109.7L152 K197 D198 F257 R258R150-L152 PolarHBondContact O-N 2.78Å; R150-K197 CarbonylContact C-O 3.58Å; R150-K197 WeakPolarHBondContact CA-O 3.34Å; R150-D198 IonicContact CZ-OD1 2.64Å; R150-D198 VanDerWaalsContact CZ-OD1 3.28Å; R150-D198 IonicContact CZ-OD2 2.77Å; R150-D198 IonicContact NE-OD1 3.57Å; R150-D198 PolarHBondContact NE-OD1 3.06Å; R150-D198 IonicContact NE-OD2 3.35Å; R150-D198 IonicContact NH2-OD1 3.5Å; R150-D198 PolarHBondContact NH2-OD1 3.17Å; R150-D198 IonicContact NH2-OD2 3.87Å; R150-D198 PolarHBondContact NH2-OD2 2.77Å; R150-F257 CarbonylContact O-C 3.48Å; R150-F257 VanDerWaalsContact O-CA 3.31Å; R150-F257 WeakPolarHBondContact O-CA 3.35Å; R150-R258 HydrophobicContact CB-CB 4.43Å; R150-R258 PolarHBondContact N-O 2.77Å; R150-R258 PolarHBondContact O-N 3.13Å
151S94.9Very high86.8Confident1 Ų160.1 Ų60.11%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-63.6129.3174.5-175.60000110.1G153 W193 G194 G196 K197S151-G153 PolarHBondContact OG-N 3.43Å; S151-W193 WeakPolarHBondContact CB-O 3.25Å; S151-W193 PolarHBondContact OG-O 3.17Å; S151-G194 WeakPolarHBondContact CB-O 3.32Å; S151-G194 PolarHBondContact OG-O 3.43Å; S151-G196 PolarHBondContact O-N 3.22Å; S151-K197 PolarHBondContact N-O 2.86Å
152L92.4Very high88.7Confident12 Ų1256 Ų566%0.06330%0.303CS..EExtended strand (participates in β ladder)trans-1026.4171.3-58.5-174.5000111.7R150 L178 V256 R258R150-L152 PolarHBondContact O-N 2.78Å; L152-L178 HydrophobicContact CB-CB 4.11Å; L152-V256 HydrophobicContact CB-CB 4.29Å; L152-V256 HydrophobicContact CB-CG1 4.26Å; L152-V256 HydrophobicContact CD1-CG1 3.97Å; L152-V256 PolarHBondContact N-O 3.4Å; L152-R258 HydrophobicContact CD1-CB 4.17Å; L152-R258 HydrophobicContact CD2-CB 4.17Å; L152-R258 HydrophobicContact CG-CB 4.2Å
153G92.1Very high89.8Confident7 Ų750.8 Ų50.87%0.07227%0.272CS..EExtended strand (participates in β ladder)trans92.8-158-176.500000113.1S151 V256S151-G153 PolarHBondContact OG-N 3.43Å; G153-V256 PolarHBondContact O-N 3.23Å
154W93.4Very high90.4Very high73 Ų7354 Ų5428%0.27728%0.282SS..EExtended strand (participates in β ladder)trans-145.6155.5-175.161.2-89000112.5E156 D187 M251 K253 C254 H255W154-E156 HydrophobicContact CZ3-CB 4.3Å; W154-D187 WeakPolarHBondContact CZ2-OD2 3.16Å; W154-D187 PolarHBondContact NE1-OD2 3.36Å; W154-M251 HydrophobicContact CZ3-CE 4.44Å; W154-K253 HydrophobicContact CD2-CD 4.07Å; W154-K253 HydrophobicContact CD2-CG 4.32Å; W154-K253 HydrophobicContact CE3-CB 4.25Å; W154-K253 HydrophobicContact CE3-CD 3.95Å; W154-K253 HydrophobicContact CE3-CG 3.77Å; W154-K253 HydrophobicContact CZ3-CD 4.26Å; W154-K253 HydrophobicContact CZ3-CG 4.11Å; W154-C254 CarbonylContact C-O 3.56Å; W154-C254 WeakPolarHBondContact CA-O 3.4Å; W154-C254 WeakPolarHBondContact CB-O 3.31Å; W154-H255 WeakPolarHBondContact CB-ND1 3.12Å
155V93Very high90.1Very high26 Ų2654.8 Ų54.816%0.15830%0.303CS..EExtended strand (participates in β ladder)trans-123.1138.3174-174.70000108.8M157 C174 L178 C254V155-M157 HydrophobicContact CG1-SD 4.47Å; V155-C174 HydrophobicContact CG2-CB 4.38Å; V155-L178 HydrophobicContact CG2-CD1 3.77Å; V155-L178 HydrophobicContact CG2-CD2 4.05Å; V155-L178 HydrophobicContact CG2-CG 3.81Å; V155-C254 PolarHBondContact N-O 2.82Å; V155-C254 PolarHBondContact O-N 2.64Å
156E93.8Very high89.6Confident113 Ų11359.3 Ų59.353%0.52832%0.319SS..EExtended strand (participates in β ladder)trans-69.7137.1171.2-179.4173.9-16600110.4W154 M251 L252W154-E156 HydrophobicContact CZ3-CB 4.3Å; E156-M251 HydrophobicContact CB-CE 4.18Å; E156-M251 HydrophobicContact CG-CE 3.8Å; E156-M251 VanDerWaalsContact OE1-CE 3.29Å; E156-M251 WeakPolarHBondContact OE1-CE 3.49Å; E156-M251 WeakPolarHBondContact OE2-CE 3.06Å; E156-L252 WeakPolarHBondContact CA-O 3.43Å
157M90.5Very high89.3Confident9 Ų957.3 Ų57.34%0.04431%0.305CS..EExtended strand (participates in β ladder)trans-120151.8179.8-55.8-55.9-62.800110.6V155 E161 A170 C174 V243 L252 C254V155-M157 HydrophobicContact CG1-SD 4.47Å; M157-E161 WeakPolarHBondContact CA-OE2 3.25Å; M157-E161 HydrophobicContact CE-CB 4.03Å; M157-E161 VanDerWaalsContact CE-OE2 3.3Å; M157-E161 WeakPolarHBondContact CE-OE2 3.06Å; M157-A170 HydrophobicContact CE-CB 3.67Å; M157-C174 PolarHBondContact SD-SG 2.86Å; M157-V243 HydrophobicContact CG-CG1 4.32Å; M157-L252 HydrophobicContact CB-CB 4.01Å; M157-L252 PolarHBondContact N-O 2.84Å; M157-L252 WeakPolarHBondContact O-CB 3.38Å; M157-C254 HydrophobicContact CG-CB 3.65Å; M157-C254 HydrophobicContact SD-CB 3.82Å
158T91.3Very high88.9Confident63 Ų6358.7 Ų58.739%0.38732%0.319SS..  trans-96.9163168.585.60000111.8E160 E161 L162T158-E160 VanDerWaalsContact C-N 3.26Å; T158-E160 WeakPolarHBondContact CB-OE2 3.5Å; T158-E160 PolarHBondContact O-N 3.34Å; T158-E160 PolarHBondContact OG1-N 3.49Å; T158-E160 PolarHBondContact OG1-OE2 2.92Å; T158-E161 PolarHBondContact N-OE2 2.79Å; T158-E161 PolarHBondContact O-N 3.46Å; T158-E161 PolarHBondContact OG1-N 2.77Å; T158-L162 PolarHBondContact O-N 3.5Å
159E87.6Confident88.5Confident83 Ų8361 Ų6139%0.38833%0.329SS..THydrogen-bonded Turntrans-67.1-31.5178.8-172.869.9-154.500111.2E161 L162 A163 R228 R245 L252E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 3.35Å; E159-L162 PolarHBondContact O-N 3.46Å; E159-A163 PolarHBondContact O-N 2.98Å; E159-R228 IonicContact OE1-CZ 3.95Å; E159-R228 IonicContact OE1-NH1 3.74Å; E159-R228 PolarHBondContact OE1-NH1 2.85Å; E159-R228 IonicContact OE1-NH2 3.06Å; E159-R228 PolarHBondContact OE1-NH2 2.82Å; E159-R228 IonicContact OE2-CZ 3.99Å; E159-R228 IonicContact OE2-NH1 2.61Å; E159-R228 PolarHBondContact OE2-NH1 3.49Å; E159-R228 IonicContact OE2-NH2 2.95Å; E159-R245 IonicContact OE2-NH2 2.71Å; E159-L252 HydrophobicContact CB-CD1 4.42Å
160E85.5Confident88.2Confident122 Ų12261.3 Ų61.357%0.5733%0.332SS*.THydrogen-bonded Turntrans-66.9-33.8178.4-57.370.3-14800112.4T158 L162 A163T158-E160 VanDerWaalsContact C-N 3.26Å; T158-E160 WeakPolarHBondContact CB-OE2 3.5Å; T158-E160 PolarHBondContact O-N 3.34Å; T158-E160 PolarHBondContact OG1-N 3.49Å; T158-E160 PolarHBondContact OG1-OE2 2.92Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-A163 VanDerWaalsContact O-CB 3.25Å; E160-A163 WeakPolarHBondContact O-CB 3.3Å; E160-A163 PolarHBondContact O-N 2.88Å
161E83.8Confident88.1Confident79 Ų7955.7 Ų55.737%0.36931%0.311SS..THydrogen-bonded Turntrans-71.6-28.9176.4-67.6176.5139.700112M157 T158 E159 A163 R166 S167 A170M157-E161 WeakPolarHBondContact CA-OE2 3.25Å; M157-E161 HydrophobicContact CE-CB 4.03Å; M157-E161 VanDerWaalsContact CE-OE2 3.3Å; M157-E161 WeakPolarHBondContact CE-OE2 3.06Å; T158-E161 PolarHBondContact N-OE2 2.79Å; T158-E161 PolarHBondContact O-N 3.46Å; T158-E161 PolarHBondContact OG1-N 2.77Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 3.35Å; E161-A163 VanDerWaalsContact C-N 3.27Å; E161-A163 PolarHBondContact O-N 2.95Å; E161-R166 CarbonylContact O-C 3.59Å; E161-S167 VanDerWaalsContact O-CA 3.25Å; E161-S167 WeakPolarHBondContact O-CA 3.31Å; E161-S167 PolarHBondContact O-N 2.87Å; E161-A170 HydrophobicContact CB-CB 4.08Å
162L85.5Confident88Confident11 Ų1156.6 Ų56.66%0.05832%0.316CS..THydrogen-bonded Turntrans-85.32.5176.7-58.9-176.8000113.4T158 E159 E160 R228 V229 V243 L252T158-L162 PolarHBondContact O-N 3.5Å; E159-L162 PolarHBondContact O-N 3.46Å; E160-L162 VanDerWaalsContact C-N 3.31Å; L162-R228 HydrophobicContact CD1-CB 4.36Å; L162-V229 HydrophobicContact CD2-CG2 4.27Å; L162-V243 HydrophobicContact CD1-CG1 3.68Å; L162-V243 HydrophobicContact CD2-CB 4.34Å; L162-V243 HydrophobicContact CD2-CG1 4.01Å; L162-V243 HydrophobicContact CD2-CG2 4.09Å; L162-V243 HydrophobicContact CG-CG1 4.48Å; L162-L252 HydrophobicContact CD1-CB 4.41Å; L162-L252 HydrophobicContact CD1-CD1 3.67Å; L162-L252 HydrophobicContact CD1-CD2 3.89Å; L162-L252 HydrophobicContact CD1-CG 4.2Å
163A80.2Confident88Confident33 Ų3360 Ų6027%0.27333%0.334SS..SBendtrans-58.7147.217600000111.8E159 E160 E161 G165 R166 S167E159-A163 PolarHBondContact O-N 2.98Å; E160-A163 VanDerWaalsContact O-CB 3.25Å; E160-A163 WeakPolarHBondContact O-CB 3.3Å; E160-A163 PolarHBondContact O-N 2.88Å; E161-A163 VanDerWaalsContact C-N 3.27Å; E161-A163 PolarHBondContact O-N 2.95Å; A163-G165 PolarHBondContact O-N 3.36Å; A163-R166 PolarHBondContact O-N 3.46Å; A163-S167 PolarHBondContact O-N 3.32Å; A163-S167 VanDerWaalsContact O-N 3.11Å
164P79.6Confident88Confident130 Ų13060 Ų6084%0.84433%0.332SS*.THydrogen-bonded Turntrans-52.6131175.4-25.934.6000111.8R166P164-R166 VanDerWaalsContact C-N 3.31Å; P164-R166 PolarHBondContact O-N 3.14Å
165G78.2Confident87.9Confident70 Ų7056.6 Ų56.672%0.72232%0.32SS*.THydrogen-bonded Turntrans87.8-16.9-176.400000115.1A163A163-G165 PolarHBondContact O-N 3.36Å
166R81.8Confident87.8Confident164 Ų16460.7 Ų60.762%0.61933%0.332SS*.THydrogen-bonded Turntrans-106-32.5175.7-64.5-174.8176.5-179.1-1.5113.2E161 A163 P164 S168 V169 A170E161-R166 CarbonylContact O-C 3.59Å; A163-R166 PolarHBondContact O-N 3.46Å; P164-R166 VanDerWaalsContact C-N 3.31Å; P164-R166 PolarHBondContact O-N 3.14Å; R166-S168 VanDerWaalsContact C-N 3.3Å; R166-S168 PolarHBondContact O-N 3.25Å; R166-V169 WeakPolarHBondContact O-CB 3.21Å; R166-V169 PolarHBondContact O-N 3.48Å; R166-A170 PolarHBondContact O-N 3.22Å
167S88Confident87.6Confident23 Ų2360.3 Ų60.316%0.16133%0.331CS..Hα-helixtrans-55.9-37.6-174.460.40000115E161 A163 V169 A170 V171E161-S167 VanDerWaalsContact O-CA 3.25Å; E161-S167 WeakPolarHBondContact O-CA 3.31Å; E161-S167 PolarHBondContact O-N 2.87Å; A163-S167 PolarHBondContact O-N 3.32Å; A163-S167 VanDerWaalsContact O-N 3.11Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.11Å; S167-A170 PolarHBondContact O-N 3.43Å; S167-V171 WeakPolarHBondContact O-CB 3.32Å; S167-V171 VanDerWaalsContact O-CG2 3.28Å; S167-V171 WeakPolarHBondContact O-CG2 3.37Å; S167-V171 PolarHBondContact O-N 2.94Å
168S87.6Confident87.6Confident57 Ų5761 Ų6140%0.39934%0.335SS..Hα-helixtrans-68.2-34.817964.80000112.6R166 N172R166-S168 VanDerWaalsContact C-N 3.3Å; R166-S168 PolarHBondContact O-N 3.25Å; S168-N172 WeakPolarHBondContact O-CB 3.28Å; S168-N172 PolarHBondContact O-N 3.25Å; S168-N172 PolarHBondContact O-ND2 3.13Å
169V88.8Confident87.3Confident81 Ų8159.1 Ų59.149%0.49132%0.324SS..Hα-helixtrans-71.2-47.8175.4178.80000109.3R166 S167 V171 N172 N173R166-V169 WeakPolarHBondContact O-CB 3.21Å; R166-V169 PolarHBondContact O-N 3.48Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.11Å; V169-V171 PolarHBondContact O-N 3.44Å; V169-N172 PolarHBondContact O-N 2.82Å; V169-N173 VanDerWaalsContact O-CG 3.28Å; V169-N173 PolarHBondContact O-N 3.37Å
170A90.3Very high86.9Confident11 Ų1163.9 Ų63.99%0.09134%0.34CS..Hα-helixtrans-56.8-50.3178.600000111.8M157 E161 R166 S167 N172 N173 C174M157-A170 HydrophobicContact CE-CB 3.67Å; E161-A170 HydrophobicContact CB-CB 4.08Å; R166-A170 PolarHBondContact O-N 3.22Å; S167-A170 PolarHBondContact O-N 3.43Å; A170-N172 PolarHBondContact O-N 3.35Å; A170-N173 WeakPolarHBondContact O-CB 3.38Å; A170-N173 PolarHBondContact O-N 3.05Å; A170-N173 VanDerWaalsContact O-N 3.12Å; A170-C174 PolarHBondContact O-N 3.43Å; A170-C174 PolarHBondContact O-SG 3.26Å
171V92.6Very high86.2Confident2 Ų263.5 Ų63.51%0.01234%0.337CS..Hα-helixtrans-61.9-41.3178.1171.60000112.2S167 V169 N173 C174 I175 V229 A241 V243S167-V171 WeakPolarHBondContact O-CB 3.32Å; S167-V171 VanDerWaalsContact O-CG2 3.28Å; S167-V171 WeakPolarHBondContact O-CG2 3.37Å; S167-V171 PolarHBondContact O-N 2.94Å; V169-V171 PolarHBondContact O-N 3.44Å; V171-N173 VanDerWaalsContact C-N 3.31Å; V171-N173 PolarHBondContact O-N 2.79Å; V171-C174 PolarHBondContact O-N 3.06Å; V171-I175 HydrophobicContact CG1-CD1 4.13Å; V171-I175 WeakPolarHBondContact O-CG1 3.42Å; V171-I175 PolarHBondContact O-N 2.94Å; V171-V229 HydrophobicContact CG2-CB 4.5Å; V171-V229 HydrophobicContact CG2-CG1 3.92Å; V171-A241 HydrophobicContact CG1-CB 3.8Å; V171-V243 HydrophobicContact CG2-CG2 3.86Å
172N91.6Very high85.1Confident20 Ų2067.4 Ų67.411%0.10735%0.353CS..Hα-helixtrans-66.1-34.8176.1-85.5-75.9000112.2S168 V169 A170 I175 R176 R234S168-N172 WeakPolarHBondContact O-CB 3.28Å; S168-N172 PolarHBondContact O-N 3.25Å; S168-N172 PolarHBondContact O-ND2 3.13Å; V169-N172 PolarHBondContact O-N 2.82Å; A170-N172 PolarHBondContact O-N 3.35Å; N172-I175 PolarHBondContact O-N 2.85Å; N172-R176 WeakPolarHBondContact O-CG 3.26Å; N172-R176 PolarHBondContact O-N 2.97Å; N172-R234 PolarHBondContact OD1-N 2.85Å
173N92Very high83.6Confident84 Ų8471 Ų7145%0.44937%0.372SS..Hα-helixtrans-64.6-42.8174.3-70.9-13.5000111.3V169 A170 V171 I175 R176 Q177V169-N173 VanDerWaalsContact O-CG 3.28Å; V169-N173 PolarHBondContact O-N 3.37Å; A170-N173 WeakPolarHBondContact O-CB 3.38Å; A170-N173 PolarHBondContact O-N 3.05Å; A170-N173 VanDerWaalsContact O-N 3.12Å; V171-N173 VanDerWaalsContact C-N 3.31Å; V171-N173 PolarHBondContact O-N 2.79Å; N173-I175 VanDerWaalsContact C-N 3.33Å; N173-I175 PolarHBondContact O-N 3.43Å; N173-R176 PolarHBondContact O-N 2.84Å; N173-Q177 WeakPolarHBondContact O-CB 3.44Å; N173-Q177 PolarHBondContact O-N 2.73Å
174C92.5Very high82.1Confident5 Ų576.3 Ų76.33%0.03440%0.396CS..Hα-helixtrans-60.2-43.4174-55.60000112V155 M157 A170 V171 R176 Q177 L178 C254 V256V155-C174 HydrophobicContact CG2-CB 4.38Å; M157-C174 PolarHBondContact SD-SG 2.86Å; A170-C174 PolarHBondContact O-N 3.43Å; A170-C174 PolarHBondContact O-SG 3.26Å; V171-C174 PolarHBondContact O-N 3.06Å; C174-R176 VanDerWaalsContact C-N 3.34Å; C174-R176 PolarHBondContact O-N 2.81Å; C174-Q177 PolarHBondContact O-N 3.31Å; C174-L178 PolarHBondContact O-N 3.23Å; C174-C254 HydrophobicContact CB-CB 4.2Å; C174-C254 WeakPolarHBondContact CB-SG 3.44Å; C174-V256 HydrophobicContact CB-CG2 4.36Å
175I91.9Very high80.6Confident3 Ų377.1 Ų77.12%0.01539%0.393CS..Hα-helixtrans-59.8-47.1177.1-69.6169.9000110.2V171 N172 N173 S179 D239 A241 V256V171-I175 HydrophobicContact CG1-CD1 4.13Å; V171-I175 WeakPolarHBondContact O-CG1 3.42Å; V171-I175 PolarHBondContact O-N 2.94Å; N172-I175 PolarHBondContact O-N 2.85Å; N173-I175 VanDerWaalsContact C-N 3.33Å; N173-I175 PolarHBondContact O-N 3.43Å; I175-S179 WeakPolarHBondContact O-CB 3.44Å; I175-S179 PolarHBondContact O-N 2.87Å; I175-S179 PolarHBondContact O-OG 3.42Å; I175-D239 HydrophobicContact CG2-CB 3.53Å; I175-A241 HydrophobicContact CD1-CB 3.83Å; I175-A241 HydrophobicContact CG1-CB 3.73Å; I175-V256 HydrophobicContact CG1-CG1 4.07Å; I175-V256 HydrophobicContact CG1-CG2 4.29Å
176R90.7Very high79.3Confident112 Ų11282.2 Ų82.242%0.42340%0.397SS..Hα-helixtrans-61.9-47.5177.5-75.2176.4173.7175-4.6111.5N172 N173 C174 L178 S179 Y180 D235N172-R176 WeakPolarHBondContact O-CG 3.26Å; N172-R176 PolarHBondContact O-N 2.97Å; N173-R176 PolarHBondContact O-N 2.84Å; C174-R176 VanDerWaalsContact C-N 3.34Å; C174-R176 PolarHBondContact O-N 2.81Å; R176-L178 PolarHBondContact O-N 3.4Å; R176-S179 PolarHBondContact O-N 3.32Å; R176-Y180 VanDerWaalsContact O-CD2 3.26Å; R176-Y180 WeakPolarHBondContact O-CD2 3.33Å; R176-Y180 PolarHBondContact O-N 2.79Å; R176-D235 WeakPolarHBondContact CG-OD2 3.35Å; R176-D235 IonicContact CZ-OD1 3.86Å; R176-D235 IonicContact CZ-OD2 3.24Å; R176-D235 IonicContact NE-OD1 3.81Å; R176-D235 IonicContact NE-OD2 2.7Å; R176-D235 PolarHBondContact NE-OD2 2.85Å; R176-D235 IonicContact NH2-OD1 4Å; R176-D235 PolarHBondContact NH2-OD1 2.91Å; R176-D235 IonicContact NH2-OD2 3.9Å; R176-D235 PolarHBondContact NH2-OD2 2.59Å
177Q90.5Very high78.2Confident105 Ų10576.8 Ų76.849%0.49138%0.38SS..Hα-helixtrans-55.6-52.7179.3-174.6178.43.700110.8N173 C174 H181N173-Q177 WeakPolarHBondContact O-CB 3.44Å; N173-Q177 PolarHBondContact O-N 2.73Å; C174-Q177 PolarHBondContact O-N 3.31Å; Q177-H181 WeakPolarHBondContact O-CB 3.22Å; Q177-H181 PolarHBondContact O-N 2.86Å
178L89.1Confident76.5Confident24 Ų2481.8 Ų81.813%0.12641%0.413CS..Hα-helixtrans-80-17.6-177.2-64.7179.9000114.2L152 V155 C174 R176 V256L152-L178 HydrophobicContact CB-CB 4.11Å; V155-L178 HydrophobicContact CG2-CD1 3.77Å; V155-L178 HydrophobicContact CG2-CD2 4.05Å; V155-L178 HydrophobicContact CG2-CG 3.81Å; C174-L178 PolarHBondContact O-N 3.23Å; R176-L178 PolarHBondContact O-N 3.4Å; L178-V256 HydrophobicContact CB-CB 4.4Å; L178-V256 HydrophobicContact CD1-CB 3.83Å; L178-V256 HydrophobicContact CD1-CG2 3.66Å
179S85.6Confident74.9Confident23 Ų2386.3 Ų86.316%0.16143%0.429CS..Hα-helixtrans-78.3-35.4177.9-680000113.3I175 R176 D239 R258I175-S179 WeakPolarHBondContact O-CB 3.44Å; I175-S179 PolarHBondContact O-N 2.87Å; I175-S179 PolarHBondContact O-OG 3.42Å; R176-S179 PolarHBondContact O-N 3.32Å; S179-D239 PolarHBondContact OG-OD2 2.68Å; S179-R258 VanDerWaalsContact CB-NH2 3.33Å; S179-R258 PolarHBondContact O-NH2 2.93Å; S179-R258 PolarHBondContact OG-NH2 3.49Å
180Y78.9Confident73.6Confident183 Ų18383 Ų8372%0.71841%0.41SS*.Hα-helixtrans-102.7-20.4-177.1-65.2-71.2000113.3R176R176-Y180 VanDerWaalsContact O-CD2 3.26Å; R176-Y180 WeakPolarHBondContact O-CD2 3.33Å; R176-Y180 PolarHBondContact O-N 2.79Å
181H71.3Confident72Confident113 Ų11385.1 Ų85.152%0.52343%0.434SS..  trans-99.1115-179.4-140.5-48.4000110Q177 N183Q177-H181 WeakPolarHBondContact O-CB 3.22Å; Q177-H181 PolarHBondContact O-N 2.86Å; H181-N183 PolarHBondContact ND1-OD1 3.36Å
182K59.5Low70.7Confident162 Ų16286.8 Ų86.870%0.70445%0.451SS*.  trans-93.398171.2-171.2175.2-177.3178.10107.8
183N55.2Low69.8Low85 Ų8587.1 Ų87.146%0.45545%0.451SS..  trans-87.2114.8176.1-93.5-4.1000108.9H181 L185H181-N183 PolarHBondContact ND1-OD1 3.36Å; N183-L185 PolarHBondContact O-N 2.9Å
184N48.1Very low68.8Low146 Ų14683.8 Ų83.878%0.78144%0.436SS*.  trans-74.417.3175.4-64.3-56.7000113.3
185L48.6Very low68.1Low146 Ų14687.4 Ų87.476%0.76445%0.452SS*.  trans-92.9104.2176.4-83.4105.3000109.4N183 D187N183-L185 PolarHBondContact O-N 2.9Å; L185-D187 PolarHBondContact O-N 3.19Å; L185-D187 VanDerWaalsContact O-N 3.09Å
186H51.5Low67.5Low177 Ų17789.6 Ų89.682%0.81948%0.476SS*.  trans-61.5109.7170.8-157.5-27000108.7P188H186-P188 WeakPolarHBondContact O-CD 3.3Å
187D57.2Low67.3Low50 Ų5088.2 Ų88.227%0.26747%0.473SS..  trans-67.9113.7172.7177.18.3000108.9W154 L185 M189 A190W154-D187 WeakPolarHBondContact CZ2-OD2 3.16Å; W154-D187 PolarHBondContact NE1-OD2 3.36Å; L185-D187 PolarHBondContact O-N 3.19Å; L185-D187 VanDerWaalsContact O-N 3.09Å; D187-M189 PolarHBondContact O-N 2.93Å; D187-M189 PolarHBondContact OD1-N 2.87Å; D187-A190 HydrophobicContact CB-CB 3.94Å; D187-A190 PolarHBondContact O-N 3.48Å
188P52.4Low67.4Low129 Ų12987 Ų8784%0.83847%0.469SS*.THydrogen-bonded Turntrans-72.5-10.5179.223.6-20.8000112.8H186H186-P188 WeakPolarHBondContact O-CD 3.3Å
189M54.6Low67.7Low151 Ų15186 Ų8674%0.74446%0.464SS*.THydrogen-bonded Turntrans-100.91177.5-74-141.7-76.600114.6D187 G191D187-M189 PolarHBondContact O-N 2.93Å; D187-M189 PolarHBondContact OD1-N 2.87Å; M189-G191 PolarHBondContact O-N 3.16Å
190A61Low68.2Low12 Ų1286.3 Ų86.310%0.09946%0.464CS..SBendtrans-74.917.2-174.700000115.9D187 G192 W193 G194D187-A190 HydrophobicContact CB-CB 3.94Å; D187-A190 PolarHBondContact O-N 3.48Å; A190-G192 PolarHBondContact O-N 3.01Å; A190-W193 PolarHBondContact O-N 2.84Å; A190-G194 PolarHBondContact O-N 2.93Å
191G57.8Low69Low56 Ų5677.6 Ų77.658%0.57743%0.43SS*.THydrogen-bonded Turntrans5424.6167.300000116.1M189 W193M189-G191 PolarHBondContact O-N 3.16Å; G191-W193 VanDerWaalsContact O-CD1 3.25Å
192G64.4Low70.2Confident36 Ų3673.5 Ų73.537%0.37141%0.411SS..THydrogen-bonded Turntrans76.612.2-178.100000115.9A190 K197A190-G192 PolarHBondContact O-N 3.01Å; G192-K197 WeakPolarHBondContact O-CD 3.25Å; G192-K197 VanDerWaalsContact O-CE 3.23Å; G192-K197 WeakPolarHBondContact O-CE 3.49Å; G192-K197 PolarHBondContact O-NZ 3.43Å
193W73.7Confident72Confident28 Ų2865.9 Ų65.911%0.10638%0.378CS..  trans-131.221.2175.355.4-88000113.3S151 A190 G191 L199 L210 L219 H220 H255 F257S151-W193 WeakPolarHBondContact CB-O 3.25Å; S151-W193 PolarHBondContact OG-O 3.17Å; A190-W193 PolarHBondContact O-N 2.84Å; G191-W193 VanDerWaalsContact O-CD1 3.25Å; W193-L199 HydrophobicContact CB-CD1 3.93Å; W193-L199 HydrophobicContact CB-CD2 4.2Å; W193-L210 HydrophobicContact CD2-CD1 3.9Å; W193-L210 HydrophobicContact CE3-CD1 3.54Å; W193-L210 HydrophobicContact CG-CD1 4.38Å; W193-L210 HydrophobicContact CZ3-CD1 3.88Å; W193-L219 HydrophobicContact CB-CB 4.3Å; W193-L219 HydrophobicContact CB-CD1 3.95Å; W193-L219 HydrophobicContact CG-CB 4.45Å; W193-H220 HydrophobicContact CD2-CB 4.46Å; W193-H220 HydrophobicContact CZ2-CB 4.29Å; W193-H220 AromaticContact CZ2-CG 3.89Å; W193-H220 AromaticContact CZ2-ND1 3.79Å; W193-H255 AromaticContact CH2-CE1 3.29Å; W193-H255 WeakPolarHBondContact CH2-CE1 3.34Å; W193-H255 AromaticContact CH2-ND1 3.38Å; W193-H255 WeakPolarHBondContact CH2-ND1 3.35Å; W193-H255 AromaticContact CH2-NE2 3.95Å; W193-H255 AromaticContact CZ3-CE1 3.83Å; W193-H255 AromaticContact CZ3-ND1 3.4Å; W193-H255 WeakPolarHBondContact CZ3-ND1 3.39Å; W193-F257 HydrophobicContact CZ3-CZ 4.47Å
194G70Confident73.8Confident13 Ų1363.7 Ų63.713%0.13437%0.365CS..  trans-63.6-176.5177.600000115.3S151 A190 G196 K197S151-G194 WeakPolarHBondContact CB-O 3.32Å; S151-G194 PolarHBondContact OG-O 3.43Å; A190-G194 PolarHBondContact O-N 2.93Å; G194-G196 PolarHBondContact O-N 3.28Å; G194-K197 WeakPolarHBondContact O-CB 3.49Å; G194-K197 PolarHBondContact O-N 3.14Å
195E78.8Confident75.7Confident82 Ų8262.7 Ų62.738%0.38336%0.36SS..THydrogen-bonded Turntrans-45.6136.4-176.2-174.1-173.9161.200112.9K197E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 PolarHBondContact O-N 3.07Å
196G79.8Confident77.7Confident49 Ų4959.4 Ų59.451%0.50534%0.34SS..THydrogen-bonded Turntrans85.7-5.3174.700000115.3S151 G194S151-G196 PolarHBondContact O-N 3.22Å; G194-G196 PolarHBondContact O-N 3.28Å
197K85.4Confident79.8Confident82 Ų8252.4 Ų52.436%0.35731%0.31SS..  trans-82.8132.5179.5-70.6-168.8169.9-145.60113R150 S151 G192 G194 E195 L199R150-K197 CarbonylContact C-O 3.58Å; R150-K197 WeakPolarHBondContact CA-O 3.34Å; S151-K197 PolarHBondContact N-O 2.86Å; G192-K197 WeakPolarHBondContact O-CD 3.25Å; G192-K197 VanDerWaalsContact O-CE 3.23Å; G192-K197 WeakPolarHBondContact O-CE 3.49Å; G192-K197 PolarHBondContact O-NZ 3.43Å; G194-K197 WeakPolarHBondContact O-CB 3.49Å; G194-K197 PolarHBondContact O-N 3.14Å; E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 PolarHBondContact O-N 3.07Å; K197-L199 HydrophobicContact CB-CD2 4.48Å; K197-L199 HydrophobicContact CB-CG 4.43Å
198D92.1Very high81.6Confident79 Ų7950 Ų5042%0.42230%0.297SS..EExtended strand (participates in β ladder)trans-79.6129.7169.8-66.9-37.9000109.9R150 P213R150-D198 IonicContact CZ-OD1 2.64Å; R150-D198 VanDerWaalsContact CZ-OD1 3.28Å; R150-D198 IonicContact CZ-OD2 2.77Å; R150-D198 IonicContact NE-OD1 3.57Å; R150-D198 PolarHBondContact NE-OD1 3.06Å; R150-D198 IonicContact NE-OD2 3.35Å; R150-D198 IonicContact NH2-OD1 3.5Å; R150-D198 PolarHBondContact NH2-OD1 3.17Å; R150-D198 IonicContact NH2-OD2 3.87Å; R150-D198 PolarHBondContact NH2-OD2 2.77Å; D198-P213 VanDerWaalsContact O-CD 3.27Å; D198-P213 WeakPolarHBondContact O-CD 3.43Å
199L95.4Very high83.7Confident4 Ų445.8 Ų45.82%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-140.2156.6-168.7-61.6172.9000110.5V149 W193 K197 L210 L219 F257V149-L199 HydrophobicContact CG2-CB 4.07Å; V149-L199 PolarHBondContact N-O 2.81Å; V149-L199 PolarHBondContact O-N 2.99Å; W193-L199 HydrophobicContact CB-CD1 3.93Å; W193-L199 HydrophobicContact CB-CD2 4.2Å; K197-L199 HydrophobicContact CB-CD2 4.48Å; K197-L199 HydrophobicContact CB-CG 4.43Å; L199-L210 HydrophobicContact CD1-CD1 4.34Å; L199-L219 HydrophobicContact CD2-CD1 3.5Å; L199-F257 HydrophobicContact CD1-CE1 4.29Å
200L96Very high85.7Confident30 Ų3038.6 Ų38.616%0.15723%0.23CC..EExtended strand (participates in β ladder)trans-100.8116.2164.4-63.4177000108.9A148 L210 V211 P213A148-L200 HydrophobicContact CB-CD2 4.48Å; L200-L210 WeakPolarHBondContact O-CA 3.38Å; L200-V211 HydrophobicContact CB-CB 4.27Å; L200-V211 PolarHBondContact N-O 3.05Å; L200-V211 PolarHBondContact O-N 2.84Å; L200-P213 HydrophobicContact CD1-CB 4.46Å; L200-P213 HydrophobicContact CG-CB 4.27Å; L200-P213 HydrophobicContact CG-CG 4.22Å
201L97.3Very high87.3Confident0 Ų038.3 Ų38.30%023%0.227CC..EExtended strand (participates in β ladder)trans-88.4112.8170.2-171.4159000108.5C146 F147 V149 L203 L208 K209 L210 F240 I266C146-L201 CarbonylContact C-O 3.6Å; C146-L201 WeakPolarHBondContact CA-O 3.25Å; F147-L201 HydrophobicContact CB-CB 4.45Å; F147-L201 HydrophobicContact CD2-CD2 4.04Å; F147-L201 PolarHBondContact N-O 2.68Å; F147-L201 PolarHBondContact O-N 3.1Å; V149-L201 HydrophobicContact CG1-CB 4.14Å; V149-L201 HydrophobicContact CG2-CB 3.89Å; L201-L203 HydrophobicContact CD2-CD2 3.87Å; L201-L203 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CD1-CD1 4.21Å; L201-L208 HydrophobicContact CD1-CD2 4.39Å; L201-L208 HydrophobicContact CD1-CG 4.43Å; L201-L208 HydrophobicContact CD2-CD1 4.27Å; L201-L208 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CG-CD1 4.39Å; L201-L208 HydrophobicContact CG-CD2 4.18Å; L201-L208 HydrophobicContact CG-CG 4.12Å; L201-K209 WeakPolarHBondContact CA-O 3.29Å; L201-L210 HydrophobicContact CB-CD2 4.21Å; L201-L210 HydrophobicContact CD1-CD2 4.34Å; L201-L210 HydrophobicContact CG-CD2 4.16Å; L201-F240 HydrophobicContact CD1-CD1 4.21Å; L201-F240 HydrophobicContact CD1-CE1 4.16Å; L201-I266 HydrophobicContact CD1-CD1 4.35Å; L201-I266 HydrophobicContact CD1-CG2 4.48Å; L201-I266 HydrophobicContact CD2-CG2 4.06Å
202Q96.6Very high89Confident27 Ų2738.3 Ų38.313%0.12621%0.212CC..EExtended strand (participates in β ladder)trans-111.5132.3-178.6-66.5176.1-1.900110.3K145 C146 L208 K209K145-Q202 CarbonylContact O-C 3.57Å; K145-Q202 WeakPolarHBondContact O-CA 3.33Å; C146-Q202 HydrophobicContact CB-CG 4.19Å; Q202-L208 CarbonylContact O-C 3.59Å; Q202-L208 WeakPolarHBondContact O-CA 3.42Å; Q202-K209 HydrophobicContact CB-CB 4.27Å; Q202-K209 PolarHBondContact N-O 3.03Å; Q202-K209 PolarHBondContact O-N 2.89Å
203L95.9Very high90.2Very high2 Ų238.5 Ų38.51%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-105.5107.3170.6-56.2178.1000107.9K145 F147 L201 L208 I224 L270 I273K145-L203 HydrophobicContact CB-CB 4.38Å; K145-L203 PolarHBondContact N-O 3Å; K145-L203 PolarHBondContact O-N 3.12Å; F147-L203 HydrophobicContact CE2-CD1 3.99Å; F147-L203 HydrophobicContact CE2-CG 4.3Å; L201-L203 HydrophobicContact CD2-CD2 3.87Å; L201-L203 HydrophobicContact CD2-CG 4.09Å; L203-L208 HydrophobicContact CD2-CB 3.95Å; L203-L208 HydrophobicContact CD2-CD1 4.21Å; L203-L208 HydrophobicContact CD2-CG 3.97Å; L203-I224 HydrophobicContact CD2-CD1 4.35Å; L203-L270 HydrophobicContact CD1-CD2 4.13Å; L203-L270 HydrophobicContact CD1-CG 4.01Å; L203-L270 HydrophobicContact CD2-CD2 3.58Å; L203-L270 HydrophobicContact CD2-CG 4.15Å; L203-I273 HydrophobicContact CB-CD1 3.73Å; L203-I273 HydrophobicContact CD1-CD1 4.08Å; L203-I273 HydrophobicContact CG-CD1 4.43Å
204E92.6Very high90.9Very high39 Ų3944.4 Ų44.418%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-148140.3-175.3-179.4-179.1-145.100109.4I144 E206 T207 K209I144-E204 HydrophobicContact CD1-CG 4.31Å; I144-E204 WeakPolarHBondContact CD1-OE1 3.45Å; I144-E204 HydrophobicContact CG1-CB 4.24Å; I144-E204 HydrophobicContact CG1-CG 3.88Å; I144-E204 WeakPolarHBondContact CG1-OE1 3.41Å; I144-E204 HydrophobicContact CG2-CB 4.29Å; E204-E206 VanDerWaalsContact C-N 3.31Å; E204-E206 PolarHBondContact O-N 3.08Å; E204-T207 PolarHBondContact N-O 3.3Å; E204-T207 VanDerWaalsContact N-O 3.07Å; E204-T207 CarbonylContact O-C 3.6Å; E204-T207 WeakPolarHBondContact O-CA 3.39Å; E204-T207 WeakPolarHBondContact O-CB 3.43Å; E204-T207 PolarHBondContact O-N 3.32Å; E204-K209 IonicContact OE2-NZ 3.89Å; E204-K209 PolarHBondContact OE2-NZ 2.79Å
205D88Confident91.8Very high125 Ų12548 Ų4867%0.66825%0.252SS*.THydrogen-bonded Turntrans47.850.2175.7-56.9-32.4000113.5T207D205-T207 PolarHBondContact O-N 2.79Å; D205-T207 PolarHBondContact O-OG1 2.79Å
206E91.6Very high92.3Very high77 Ų7749.4 Ų49.436%0.3626%0.258SS..THydrogen-bonded Turntrans56.522.6-179.7-53.2-171.8162.500114.2E204 I224 I273 I277E204-E206 VanDerWaalsContact C-N 3.31Å; E204-E206 PolarHBondContact O-N 3.08Å; E206-I224 VanDerWaalsContact O-CB 3.25Å; E206-I224 WeakPolarHBondContact O-CB 3.45Å; E206-I224 WeakPolarHBondContact O-CG1 3.27Å; E206-I224 PolarHBondContact O-N 2.97Å; E206-I273 HydrophobicContact CG-CG2 4.47Å; E206-I277 HydrophobicContact CB-CD1 4.04Å; E206-I277 VanDerWaalsContact CD-CG1 3.44Å; E206-I277 HydrophobicContact CG-CD1 4Å; E206-I277 HydrophobicContact CG-CG1 4.04Å; E206-I277 VanDerWaalsContact OE1-CG1 3.26Å; E206-I277 WeakPolarHBondContact OE1-CG1 3.33Å
207T94.3Very high92.9Very high30 Ų3050.2 Ų50.218%0.18425%0.254CS..EExtended strand (participates in β ladder)trans-130136.6-175.5-54.40000110.1E204 D205 K209 A221E204-T207 PolarHBondContact N-O 3.3Å; E204-T207 VanDerWaalsContact N-O 3.07Å; E204-T207 CarbonylContact O-C 3.6Å; E204-T207 WeakPolarHBondContact O-CA 3.39Å; E204-T207 WeakPolarHBondContact O-CB 3.43Å; E204-T207 PolarHBondContact O-N 3.32Å; D205-T207 PolarHBondContact O-N 2.79Å; D205-T207 PolarHBondContact O-OG1 2.79Å; T207-K209 HydrophobicContact CG2-CG 4.1Å; T207-A221 HydrophobicContact CG2-CB 4.07Å
208L97Very high93.2Very high0 Ų050.9 Ų50.90%026%0.261CS..EExtended strand (participates in β ladder)trans-88.6118.2167.7-176.9160.3000108.1L201 Q202 L203 L210 A221 Q222 I224 I227 Y242L201-L208 HydrophobicContact CD1-CD1 4.21Å; L201-L208 HydrophobicContact CD1-CD2 4.39Å; L201-L208 HydrophobicContact CD1-CG 4.43Å; L201-L208 HydrophobicContact CD2-CD1 4.27Å; L201-L208 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CG-CD1 4.39Å; L201-L208 HydrophobicContact CG-CD2 4.18Å; L201-L208 HydrophobicContact CG-CG 4.12Å; Q202-L208 CarbonylContact O-C 3.59Å; Q202-L208 WeakPolarHBondContact O-CA 3.42Å; L203-L208 HydrophobicContact CD2-CB 3.95Å; L203-L208 HydrophobicContact CD2-CD1 4.21Å; L203-L208 HydrophobicContact CD2-CG 3.97Å; L208-L210 HydrophobicContact CD2-CD2 4.05Å; L208-L210 HydrophobicContact CD2-CG 4.27Å; L208-A221 WeakPolarHBondContact O-CA 3.32Å; L208-Q222 HydrophobicContact CB-CB 4.39Å; L208-Q222 PolarHBondContact N-O 2.95Å; L208-Q222 PolarHBondContact O-N 3.29Å; L208-I224 HydrophobicContact CB-CG1 4.46Å; L208-I227 HydrophobicContact CB-CD1 4.43Å; L208-I227 HydrophobicContact CD1-CD1 4.15Å; L208-Y242 HydrophobicContact CD1-CD1 4.03Å; L208-Y242 HydrophobicContact CD1-CE1 4.12Å; L208-Y242 HydrophobicContact CD2-CE1 4.06Å
209K96.3Very high93.2Very high39 Ų3949.2 Ų49.217%0.1725%0.252CS..EExtended strand (participates in β ladder)trans-111.6138.2-179.4-60.6177.3-171.6174.10109.8L201 Q202 E204 T207 V211 L218 H220L201-K209 WeakPolarHBondContact CA-O 3.29Å; Q202-K209 HydrophobicContact CB-CB 4.27Å; Q202-K209 PolarHBondContact N-O 3.03Å; Q202-K209 PolarHBondContact O-N 2.89Å; E204-K209 IonicContact OE2-NZ 3.89Å; E204-K209 PolarHBondContact OE2-NZ 2.79Å; T207-K209 HydrophobicContact CG2-CG 4.1Å; K209-V211 HydrophobicContact CB-CG2 4.34Å; K209-L218 HydrophobicContact CB-CD1 3.75Å; K209-L218 HydrophobicContact CD-CD1 4.2Å; K209-L218 HydrophobicContact CG-CD1 4.02Å; K209-H220 CarbonylContact C-O 3.6Å; K209-H220 WeakPolarHBondContact CA-O 3.32Å
210L95.9Very high93.1Very high0 Ų051.2 Ų51.20%026%0.261CS..EExtended strand (participates in β ladder)trans-106.9121.5168.5-57.8178.1000108W193 L199 L200 L201 L208 L219 H220 F257W193-L210 HydrophobicContact CD2-CD1 3.9Å; W193-L210 HydrophobicContact CE3-CD1 3.54Å; W193-L210 HydrophobicContact CG-CD1 4.38Å; W193-L210 HydrophobicContact CZ3-CD1 3.88Å; L199-L210 HydrophobicContact CD1-CD1 4.34Å; L200-L210 WeakPolarHBondContact O-CA 3.38Å; L201-L210 HydrophobicContact CB-CD2 4.21Å; L201-L210 HydrophobicContact CD1-CD2 4.34Å; L201-L210 HydrophobicContact CG-CD2 4.16Å; L208-L210 HydrophobicContact CD2-CD2 4.05Å; L208-L210 HydrophobicContact CD2-CG 4.27Å; L210-L219 PolarHBondContact O-N 2.9Å; L210-H220 HydrophobicContact CB-CB 4.04Å; L210-H220 HydrophobicContact CD1-CB 4Å; L210-H220 HydrophobicContact CG-CB 4.2Å; L210-H220 PolarHBondContact N-O 2.98Å; L210-H220 PolarHBondContact O-N 3.31Å; L210-F257 HydrophobicContact CD1-CE1 3.95Å; L210-F257 HydrophobicContact CD1-CZ 3.89Å; L210-F257 HydrophobicContact CD2-CE1 4Å; L210-F257 HydrophobicContact CD2-CZ 4.17Å
211V94.8Very high93Very high6 Ų651.6 Ų51.64%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-124.7140.4-172.7-179.50000109.4L200 K209 Q216 T217 L218L200-V211 HydrophobicContact CB-CB 4.27Å; L200-V211 PolarHBondContact N-O 3.05Å; L200-V211 PolarHBondContact O-N 2.84Å; K209-V211 HydrophobicContact CB-CG2 4.34Å; V211-Q216 VanDerWaalsContact CG1-C 3.43Å; V211-Q216 HydrophobicContact CG1-CB 4.3Å; V211-T217 WeakPolarHBondContact CA-O 3.4Å; V211-L218 HydrophobicContact CG2-CD1 4.16Å
212E92.8Very high92.9Very high56 Ų5652.2 Ų52.226%0.26227%0.271SS..  trans-72.2127.5174.7-175.7161.7-111.100110.6Q214 N215 Q216 T217 L219E212-Q214 PolarHBondContact O-N 3.37Å; E212-N215 WeakPolarHBondContact CB-OD1 3.44Å; E212-N215 PolarHBondContact OE2-ND2 2.77Å; E212-N215 PolarHBondContact OE2-OD1 2.97Å; E212-N215 VanDerWaalsContact OE2-OD1 3.09Å; E212-Q216 VanDerWaalsContact O-CA 3.3Å; E212-Q216 WeakPolarHBondContact O-CA 3.19Å; E212-Q216 PolarHBondContact O-N 2.9Å; E212-T217 PolarHBondContact N-O 3.39Å; E212-L219 HydrophobicContact CB-CD1 4.18Å; E212-L219 HydrophobicContact CB-CD2 4.46Å; E212-L219 HydrophobicContact CB-CG 4.35Å
213P90.5Very high92.7Very high40 Ų4052.7 Ų52.726%0.2628%0.277SS..THydrogen-bonded Turntrans-61.2-37.4-172.5-24.132.6000114.5D198 L200 Q216D198-P213 VanDerWaalsContact O-CD 3.27Å; D198-P213 WeakPolarHBondContact O-CD 3.43Å; L200-P213 HydrophobicContact CD1-CB 4.46Å; L200-P213 HydrophobicContact CG-CB 4.27Å; L200-P213 HydrophobicContact CG-CG 4.22Å; P213-Q216 PolarHBondContact O-NE2 2.87Å
214Q88.3Confident92.5Very high153 Ų15352.7 Ų52.772%0.71528%0.277SS*.THydrogen-bonded Turntrans-77.3-42.9-169.5-64.777.711.200113.3E212E212-Q214 PolarHBondContact O-N 3.37Å
215N89.4Confident92.3Very high88 Ų8853.8 Ų53.847%0.47129%0.286SS..THydrogen-bonded Turntrans-115.81.2-173.763.915.6000113.5E212 T217E212-N215 WeakPolarHBondContact CB-OD1 3.44Å; E212-N215 PolarHBondContact OE2-ND2 2.77Å; E212-N215 PolarHBondContact OE2-OD1 2.97Å; E212-N215 VanDerWaalsContact OE2-OD1 3.09Å; N215-T217 PolarHBondContact ND2-OG1 3.5Å; N215-T217 PolarHBondContact O-N 2.87Å; N215-T217 VanDerWaalsContact OD1-CB 3.22Å; N215-T217 WeakPolarHBondContact OD1-CB 3.46Å; N215-T217 PolarHBondContact OD1-N 3.09Å; N215-T217 PolarHBondContact OD1-OG1 3.17Å
216Q89.3Confident92.5Very high111 Ų11150.7 Ų50.752%0.51927%0.274SS..  trans58.926.9-177.9-59.9-70.5-49.400113.8V211 E212 P213V211-Q216 VanDerWaalsContact CG1-C 3.43Å; V211-Q216 HydrophobicContact CG1-CB 4.3Å; E212-Q216 VanDerWaalsContact O-CA 3.3Å; E212-Q216 WeakPolarHBondContact O-CA 3.19Å; E212-Q216 PolarHBondContact O-N 2.9Å; P213-Q216 PolarHBondContact O-NE2 2.87Å
217T91.7Very high92.5Very high66 Ų6647.8 Ų47.841%0.40526%0.261SS..  trans-73.6129.8177.3-57.30000110.6V211 E212 N215 L219V211-T217 WeakPolarHBondContact CA-O 3.4Å; E212-T217 PolarHBondContact N-O 3.39Å; N215-T217 PolarHBondContact ND2-OG1 3.5Å; N215-T217 PolarHBondContact O-N 2.87Å; N215-T217 VanDerWaalsContact OD1-CB 3.22Å; N215-T217 WeakPolarHBondContact OD1-CB 3.46Å; N215-T217 PolarHBondContact OD1-N 3.09Å; N215-T217 PolarHBondContact OD1-OG1 3.17Å; T217-L219 HydrophobicContact CG2-CD2 4.37Å; T217-L219 PolarHBondContact O-N 3.02Å
218L92.1Very high92.3Very high97 Ų9750.6 Ų50.651%0.50827%0.268SS..EExtended strand (participates in β ladder)trans-71.6114.1173.1-179.166.8000110.2K209 V211 H220 A221K209-L218 HydrophobicContact CB-CD1 3.75Å; K209-L218 HydrophobicContact CD-CD1 4.2Å; K209-L218 HydrophobicContact CG-CD1 4.02Å; V211-L218 HydrophobicContact CG2-CD1 4.16Å; L218-H220 WeakPolarHBondContact CD1-O 3.41Å; L218-A221 HydrophobicContact CD1-CB 4.5Å; L218-A221 HydrophobicContact CD2-CB 4.42Å
219L92.1Very high92.1Very high44 Ų4451.9 Ų51.923%0.2328%0.276CS..EExtended strand (participates in β ladder)trans-93.7-38.3179.4-56.8-178.9000112W193 L199 L210 E212 T217W193-L219 HydrophobicContact CB-CB 4.3Å; W193-L219 HydrophobicContact CB-CD1 3.95Å; W193-L219 HydrophobicContact CG-CB 4.45Å; L199-L219 HydrophobicContact CD2-CD1 3.5Å; L210-L219 PolarHBondContact O-N 2.9Å; E212-L219 HydrophobicContact CB-CD1 4.18Å; E212-L219 HydrophobicContact CB-CD2 4.46Å; E212-L219 HydrophobicContact CB-CG 4.35Å; T217-L219 HydrophobicContact CG2-CD2 4.37Å; T217-L219 PolarHBondContact O-N 3.02Å
220H91.9Very high92.1Very high46 Ų4653.4 Ų53.421%0.21328%0.281CS..EExtended strand (participates in β ladder)trans-149.5146.4-178.4-173.370.5000111.6W193 K209 L210 L218W193-H220 HydrophobicContact CD2-CB 4.46Å; W193-H220 HydrophobicContact CZ2-CB 4.29Å; W193-H220 AromaticContact CZ2-CG 3.89Å; W193-H220 AromaticContact CZ2-ND1 3.79Å; K209-H220 CarbonylContact C-O 3.6Å; K209-H220 WeakPolarHBondContact CA-O 3.32Å; L210-H220 HydrophobicContact CB-CB 4.04Å; L210-H220 HydrophobicContact CD1-CB 4Å; L210-H220 HydrophobicContact CG-CB 4.2Å; L210-H220 PolarHBondContact N-O 2.98Å; L210-H220 PolarHBondContact O-N 3.31Å; L218-H220 WeakPolarHBondContact CD1-O 3.41Å
221A94.1Very high92Very high38 Ų3854.1 Ų54.131%0.31429%0.287SS..EExtended strand (participates in β ladder)trans-137.3117.5175.300000110.5T207 L208 L218T207-A221 HydrophobicContact CG2-CB 4.07Å; L208-A221 WeakPolarHBondContact O-CA 3.32Å; L218-A221 HydrophobicContact CD1-CB 4.5Å; L218-A221 HydrophobicContact CD2-CB 4.42Å
222Q94.8Very high91.9Very high12 Ų1255.8 Ų55.86%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-116.5110.5-177.5176.255.461.200109.7L208 I224 I227 Y242 A244L208-Q222 HydrophobicContact CB-CB 4.39Å; L208-Q222 PolarHBondContact N-O 2.95Å; L208-Q222 PolarHBondContact O-N 3.29Å; Q222-I224 PolarHBondContact O-N 3.1Å; Q222-I227 HydrophobicContact CG-CD1 4.15Å; Q222-I227 HydrophobicContact CG-CG1 3.73Å; Q222-Y242 HydrophobicContact CG-CE2 3.91Å; Q222-A244 HydrophobicContact CG-CB 4.21Å; Q222-A244 VanDerWaalsContact OE1-CB 3.28Å
223P93.7Very high91.7Very high38 Ų3853.2 Ų53.225%0.24729%0.286CS..EExtended strand (participates in β ladder)trans-56.3129.7173-24.834.1000110.7V225 S226P223-V225 HydrophobicContact CB-CG2 3.99Å; P223-V225 PolarHBondContact O-N 2.8Å; P223-S226 PolarHBondContact O-N 3.45Å
224I92Very high91.2Very high2 Ų260.4 Ų60.41%0.0131%0.308CS..G310 helixtrans-62.8-35.1-176.3-69.4171.7000110.4L203 E206 L208 Q222 S226 I227 L270 I273 C274 I277L203-I224 HydrophobicContact CD2-CD1 4.35Å; E206-I224 VanDerWaalsContact O-CB 3.25Å; E206-I224 WeakPolarHBondContact O-CB 3.45Å; E206-I224 WeakPolarHBondContact O-CG1 3.27Å; E206-I224 PolarHBondContact O-N 2.97Å; L208-I224 HydrophobicContact CB-CG1 4.46Å; Q222-I224 PolarHBondContact O-N 3.1Å; I224-S226 PolarHBondContact O-N 2.84Å; I224-S226 VanDerWaalsContact O-N 3.12Å; I224-I227 HydrophobicContact CG1-CD1 4.48Å; I224-I227 WeakPolarHBondContact O-CB 3.49Å; I224-I227 PolarHBondContact O-N 3.17Å; I224-I227 VanDerWaalsContact O-N 3.08Å; I224-L270 HydrophobicContact CD1-CD2 3.77Å; I224-L270 HydrophobicContact CG1-CD2 3.85Å; I224-L270 HydrophobicContact CG2-CD2 4.15Å; I224-I273 HydrophobicContact CD1-CB 4.21Å; I224-I273 HydrophobicContact CD1-CD1 3.82Å; I224-I273 HydrophobicContact CD1-CG2 3.64Å; I224-I273 HydrophobicContact CG2-CG2 4.45Å; I224-C274 WeakPolarHBondContact CG2-SG 3.3Å; I224-I277 HydrophobicContact CG2-CD1 4.39Å
225V88.8Confident90.6Very high61 Ų6157 Ų5737%0.3730%0.295SS..G310 helixtrans-61.6-18.5175.6-61.30000114.4P223 I277 R281P223-V225 HydrophobicContact CB-CG2 3.99Å; P223-V225 PolarHBondContact O-N 2.8Å; V225-I277 HydrophobicContact CG1-CD1 3.96Å; V225-I277 HydrophobicContact CG1-CG2 4.03Å; V225-R281 VanDerWaalsContact CG1-NH2 3.29Å
226S91.1Very high90Very high61 Ų6155.6 Ų55.643%0.42729%0.292SS..G310 helixtrans-102.2-1.5-179.9-610000112.7P223 I224 R228P223-S226 PolarHBondContact O-N 3.45Å; I224-S226 PolarHBondContact O-N 2.84Å; I224-S226 VanDerWaalsContact O-N 3.12Å; S226-R228 PolarHBondContact O-N 3.47Å
227I92.1Very high89.8Confident15 Ų1551.8 Ų51.88%0.07728%0.282CS..EExtended strand (participates in β ladder)trans-74.9122.9171-61.3176.2000107.9L208 Q222 I224 V229 W230 Y242 L270L208-I227 HydrophobicContact CB-CD1 4.43Å; L208-I227 HydrophobicContact CD1-CD1 4.15Å; Q222-I227 HydrophobicContact CG-CD1 4.15Å; Q222-I227 HydrophobicContact CG-CG1 3.73Å; I224-I227 HydrophobicContact CG1-CD1 4.48Å; I224-I227 WeakPolarHBondContact O-CB 3.49Å; I224-I227 PolarHBondContact O-N 3.17Å; I224-I227 VanDerWaalsContact O-N 3.08Å; I227-V229 WeakPolarHBondContact CG2-O 3.41Å; I227-W230 HydrophobicContact CG2-CE3 3.99Å; I227-Y242 HydrophobicContact CD1-CD2 4.41Å; I227-Y242 HydrophobicContact CG1-CD2 4.28Å; I227-Y242 HydrophobicContact CG2-CD2 4.42Å; I227-L270 HydrophobicContact CD1-CD2 4.49Å
228R89.6Confident89.9Confident89 Ų8954.7 Ų54.734%0.33629%0.286SS..EExtended strand (participates in β ladder)trans-77.2-47.9-177.4-65-67.6-59.2-90.6-2.4111.4E159 L162 S226 V243 L252E159-R228 IonicContact OE1-CZ 3.95Å; E159-R228 IonicContact OE1-NH1 3.74Å; E159-R228 PolarHBondContact OE1-NH1 2.85Å; E159-R228 IonicContact OE1-NH2 3.06Å; E159-R228 PolarHBondContact OE1-NH2 2.82Å; E159-R228 IonicContact OE2-CZ 3.99Å; E159-R228 IonicContact OE2-NH1 2.61Å; E159-R228 PolarHBondContact OE2-NH1 3.49Å; E159-R228 IonicContact OE2-NH2 2.95Å; L162-R228 HydrophobicContact CD1-CB 4.36Å; S226-R228 PolarHBondContact O-N 3.47Å; R228-V243 PolarHBondContact N-O 2.96Å; R228-L252 HydrophobicContact CG-CD2 4.16Å
229V93.2Very high90Very high27 Ų2750.4 Ų50.416%0.16426%0.263CS..EExtended strand (participates in β ladder)trans-149.6147.2-174.8-175.20000107.8L162 V171 I227 Y242 V243L162-V229 HydrophobicContact CD2-CG2 4.27Å; V171-V229 HydrophobicContact CG2-CB 4.5Å; V171-V229 HydrophobicContact CG2-CG1 3.92Å; I227-V229 WeakPolarHBondContact CG2-O 3.41Å; V229-Y242 CarbonylContact O-C 3.6Å; V229-Y242 WeakPolarHBondContact O-CA 3.41Å; V229-V243 HydrophobicContact CB-CB 4.48Å; V229-V243 HydrophobicContact CB-CG2 4.41Å; V229-V243 PolarHBondContact O-N 2.78Å
230W95.4Very high90.2Very high72 Ų7248.3 Ų48.327%0.27325%0.252SS..EExtended strand (participates in β ladder)trans-134.6161164.265.582.1000110.2I227 F240 A241 L270 H271 C274I227-W230 HydrophobicContact CG2-CE3 3.99Å; W230-F240 HydrophobicContact CB-CE2 4.03Å; W230-F240 HydrophobicContact CB-CZ 4.08Å; W230-F240 HydrophobicContact CG-CE2 4.39Å; W230-A241 CarbonylContact C-O 3.54Å; W230-A241 WeakPolarHBondContact CA-O 3.42Å; W230-A241 VanDerWaalsContact CB-O 3.3Å; W230-A241 WeakPolarHBondContact CB-O 3.3Å; W230-L270 HydrophobicContact CD2-CB 4.47Å; W230-L270 HydrophobicContact CD2-CD1 4.39Å; W230-L270 HydrophobicContact CG-CD1 4.3Å; W230-L270 HydrophobicContact CZ2-CB 4.34Å; W230-H271 HydrophobicContact CZ2-CB 4.3Å; W230-C274 HydrophobicContact CH2-CB 4.1Å; W230-C274 VanDerWaalsContact CH2-SG 3.51Å
231G93.3Very high90.4Very high14 Ų1446.1 Ų46.114%0.14424%0.242CC..EExtended strand (participates in β ladder)trans-155.6162.5-176.600000113A241G231-A241 PolarHBondContact N-O 3.02Å; G231-A241 PolarHBondContact O-N 2.82Å
232V93.9Very high90.6Very high41 Ų4144.3 Ų44.325%0.24823%0.227CC..EExtended strand (participates in β ladder)trans-119.8134.8172.81770000107.7R234 D239 A263 A267V232-R234 PolarHBondContact O-N 3.03Å; V232-D239 WeakPolarHBondContact CA-O 3.4Å; V232-A263 HydrophobicContact CB-CB 4.47Å; V232-A263 HydrophobicContact CG1-CB 3.73Å; V232-A263 HydrophobicContact CG2-CB 4.09Å; V232-A267 HydrophobicContact CG2-CB 3.75Å
233G87.8Confident90.7Very high2 Ų243.7 Ų43.72%0.02122%0.224CC..  trans-63.8128.9178.800000111.1D235 G237 D239G233-D235 VanDerWaalsContact C-N 3.32Å; G233-G237 WeakPolarHBondContact O-CA 3.39Å; G233-G237 PolarHBondContact O-N 3.25Å; G233-G237 VanDerWaalsContact O-N 3.1Å; G233-D239 PolarHBondContact N-O 3.16Å
234R79.8Confident90.7Very high192 Ų19242 Ų4273%0.72521%0.214SC*.THydrogen-bonded Turntrans-68.6-31.9179.6-66.6-177.6-175.8-172.41.7113.2N172 V232N172-R234 PolarHBondContact OD1-N 2.85Å; V232-R234 PolarHBondContact O-N 3.03Å
235D76.8Confident90.7Very high82 Ų8245.9 Ų45.944%0.43923%0.228SC..THydrogen-bonded Turntrans-79.7-44.5-168.7-49.1-45000111.5R176 G233R176-D235 WeakPolarHBondContact CG-OD2 3.35Å; R176-D235 IonicContact CZ-OD1 3.86Å; R176-D235 IonicContact CZ-OD2 3.24Å; R176-D235 IonicContact NE-OD1 3.81Å; R176-D235 IonicContact NE-OD2 2.7Å; R176-D235 PolarHBondContact NE-OD2 2.85Å; R176-D235 IonicContact NH2-OD1 4Å; R176-D235 PolarHBondContact NH2-OD1 2.91Å; R176-D235 IonicContact NH2-OD2 3.9Å; R176-D235 PolarHBondContact NH2-OD2 2.59Å; G233-D235 VanDerWaalsContact C-N 3.32Å
236S76.4Confident90.6Very high57 Ų5745 Ų4540%0.39922%0.221SC..THydrogen-bonded Turntrans-101.2-24.3-178.473.30000114.1R238 D239S236-R238 PolarHBondContact O-N 3.42Å; S236-R238 PolarHBondContact OG-N 2.9Å; S236-D239 WeakPolarHBondContact CB-OD2 3.36Å; S236-D239 VanDerWaalsContact OG-CG 3.3Å; S236-D239 PolarHBondContact OG-N 3.29Å; S236-D239 PolarHBondContact OG-OD2 2.87Å
237G85.3Confident90.1Very high31 Ų3149.5 Ų49.532%0.3223%0.233SC..SBendtrans61.52.3-169.800000115G233 A263G233-G237 WeakPolarHBondContact O-CA 3.39Å; G233-G237 PolarHBondContact O-N 3.25Å; G233-G237 VanDerWaalsContact O-N 3.1Å; G237-A263 PolarHBondContact O-N 2.83Å
238R92.7Very high89.6Confident127 Ų12756.6 Ų56.648%0.47927%0.27SS..  trans-111-15.5-176.3-73.4-179.7175-96.11.3112.7S236 C259 E260S236-R238 PolarHBondContact O-N 3.42Å; S236-R238 PolarHBondContact OG-N 2.9Å; R238-C259 WeakPolarHBondContact O-CB 3.34Å; R238-C259 PolarHBondContact O-N 2.83Å; R238-C259 PolarHBondContact O-SG 2.82Å; R238-C259 VanDerWaalsContact O-SG 3.32Å; R238-E260 PolarHBondContact NH1-O 3.1Å
239D94.8Very high89.3Confident7 Ų755 Ų554%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-90.4126.4177.4-53.6-51.7000109.9I175 S179 V232 G233 S236 F257 R258I175-D239 HydrophobicContact CG2-CB 3.53Å; S179-D239 PolarHBondContact OG-OD2 2.68Å; V232-D239 WeakPolarHBondContact CA-O 3.4Å; G233-D239 PolarHBondContact N-O 3.16Å; S236-D239 WeakPolarHBondContact CB-OD2 3.36Å; S236-D239 VanDerWaalsContact OG-CG 3.3Å; S236-D239 PolarHBondContact OG-N 3.29Å; S236-D239 PolarHBondContact OG-OD2 2.87Å; D239-F257 CarbonylContact C-O 3.58Å; D239-F257 WeakPolarHBondContact CA-O 3.49Å; D239-R258 IonicContact OD1-CZ 2.93Å; D239-R258 IonicContact OD1-NE 3.63Å; D239-R258 PolarHBondContact OD1-NE 2.85Å; D239-R258 IonicContact OD1-NH2 3.84Å
240F96.6Very high89Confident0 Ų058.8 Ų58.80%029%0.287CS..EExtended strand (participates in β ladder)trans-110.7141.7176.1173.2-105.5000108.8L201 W230 Y242 F257 A263 I266 L270L201-F240 HydrophobicContact CD1-CD1 4.21Å; L201-F240 HydrophobicContact CD1-CE1 4.16Å; W230-F240 HydrophobicContact CB-CE2 4.03Å; W230-F240 HydrophobicContact CB-CZ 4.08Å; W230-F240 HydrophobicContact CG-CE2 4.39Å; F240-Y242 HydrophobicContact CE1-CD1 4.03Å; F240-F257 HydrophobicContact CD1-CD2 4.15Å; F240-F257 PolarHBondContact N-O 3.35Å; F240-F257 PolarHBondContact O-N 3Å; F240-A263 HydrophobicContact CB-CB 3.87Å; F240-I266 HydrophobicContact CB-CD1 4.4Å; F240-I266 HydrophobicContact CD1-CD1 4.42Å; F240-I266 HydrophobicContact CD1-CG2 4.07Å; F240-I266 HydrophobicContact CD2-CB 4.15Å; F240-I266 HydrophobicContact CD2-CG2 4.03Å; F240-I266 HydrophobicContact CE1-CG2 3.87Å; F240-I266 HydrophobicContact CE2-CB 4.34Å; F240-I266 HydrophobicContact CE2-CG2 3.84Å; F240-I266 HydrophobicContact CG-CB 4.36Å; F240-I266 HydrophobicContact CG-CD1 4.33Å; F240-I266 HydrophobicContact CG-CG2 4.16Å; F240-I266 HydrophobicContact CZ-CG2 3.78Å; F240-L270 HydrophobicContact CE1-CD1 4.4Å; F240-L270 HydrophobicContact CE2-CD1 3.92Å; F240-L270 HydrophobicContact CZ-CD1 3.4Å; F240-L270 VanDerWaalsContact CZ-CD1 3.4Å
241A96.8Very high88.7Confident0 Ų057.8 Ų57.80%029%0.285CS..EExtended strand (participates in β ladder)trans-136.9147.9174.300000111.6V171 I175 W230 G231 H255 V256V171-A241 HydrophobicContact CG1-CB 3.8Å; I175-A241 HydrophobicContact CD1-CB 3.83Å; I175-A241 HydrophobicContact CG1-CB 3.73Å; W230-A241 CarbonylContact C-O 3.54Å; W230-A241 WeakPolarHBondContact CA-O 3.42Å; W230-A241 VanDerWaalsContact CB-O 3.3Å; W230-A241 WeakPolarHBondContact CB-O 3.3Å; G231-A241 PolarHBondContact N-O 3.02Å; G231-A241 PolarHBondContact O-N 2.82Å; A241-H255 WeakPolarHBondContact CA-O 3.48Å; A241-V256 HydrophobicContact CB-CG2 3.97Å
242Y97.1Very high88.7Confident0 Ų057.5 Ų57.50%028%0.281CS..EExtended strand (participates in β ladder)trans-135.6149.7167.577.6-95.3000111L208 Q222 I227 V229 F240 A244 H255 F257L208-Y242 HydrophobicContact CD1-CD1 4.03Å; L208-Y242 HydrophobicContact CD1-CE1 4.12Å; L208-Y242 HydrophobicContact CD2-CE1 4.06Å; Q222-Y242 HydrophobicContact CG-CE2 3.91Å; I227-Y242 HydrophobicContact CD1-CD2 4.41Å; I227-Y242 HydrophobicContact CG1-CD2 4.28Å; I227-Y242 HydrophobicContact CG2-CD2 4.42Å; V229-Y242 CarbonylContact O-C 3.6Å; V229-Y242 WeakPolarHBondContact O-CA 3.41Å; F240-Y242 HydrophobicContact CE1-CD1 4.03Å; Y242-A244 HydrophobicContact CD2-CB 4.13Å; Y242-A244 HydrophobicContact CE2-CB 3.96Å; Y242-H255 HydrophobicContact CD1-CB 4.28Å; Y242-H255 HydrophobicContact CE1-CB 3.9Å; Y242-H255 HydrophobicContact CE2-CB 4.43Å; Y242-H255 AromaticContact CE2-CD2 3.63Å; Y242-H255 AromaticContact CZ-CD2 3.71Å; Y242-H255 PolarHBondContact N-O 3.43Å; Y242-H255 PolarHBondContact O-N 3.24Å; Y242-F257 HydrophobicContact CD1-CD2 4.49Å; Y242-F257 AromaticContact CD1-CE2 3.74Å; Y242-F257 HydrophobicContact CD1-CE2 3.74Å; Y242-F257 HydrophobicContact CE1-CD2 4.5Å; Y242-F257 AromaticContact CE1-CE2 3.42Å; Y242-F257 HydrophobicContact CE1-CE2 3.42Å; Y242-F257 VanDerWaalsContact CE1-CE2 3.42Å; Y242-F257 AromaticContact CE1-CZ 3.88Å; Y242-F257 HydrophobicContact CE1-CZ 3.88Å
243V96.6Very high88.7Confident0 Ų056.4 Ų56.40%027%0.273CS..EExtended strand (participates in β ladder)trans-113.2125.2177.2-1710000109.4M157 L162 V171 R228 V229 L252 K253 C254M157-V243 HydrophobicContact CG-CG1 4.32Å; L162-V243 HydrophobicContact CD1-CG1 3.68Å; L162-V243 HydrophobicContact CD2-CB 4.34Å; L162-V243 HydrophobicContact CD2-CG1 4.01Å; L162-V243 HydrophobicContact CD2-CG2 4.09Å; L162-V243 HydrophobicContact CG-CG1 4.48Å; V171-V243 HydrophobicContact CG2-CG2 3.86Å; R228-V243 PolarHBondContact N-O 2.96Å; V229-V243 HydrophobicContact CB-CB 4.48Å; V229-V243 HydrophobicContact CB-CG2 4.41Å; V229-V243 PolarHBondContact O-N 2.78Å; V243-L252 HydrophobicContact CG1-CB 4.4Å; V243-K253 WeakPolarHBondContact CA-O 3.24Å; V243-C254 HydrophobicContact CG2-CB 3.95Å
244A94.9Very high89.1Confident2 Ų256.3 Ų56.32%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-139.8159.5174.300000110.3Q222 Y242 K253Q222-A244 HydrophobicContact CG-CB 4.21Å; Q222-A244 VanDerWaalsContact OE1-CB 3.28Å; Y242-A244 HydrophobicContact CD2-CB 4.13Å; Y242-A244 HydrophobicContact CE2-CB 3.96Å; A244-K253 PolarHBondContact N-O 2.9Å; A244-K253 VanDerWaalsContact N-O 3.16Å; A244-K253 PolarHBondContact O-N 2.8Å
245R91.2Very high89.9Confident83 Ų8347.8 Ų47.831%0.31324%0.24SC..EExtended strand (participates in β ladder)trans-85.2127.3174.4-171.5174.4-73.6-171.2-2.1109.7E159 Q250 M251 L252E159-R245 IonicContact OE2-NH2 2.71Å; R245-Q250 WeakPolarHBondContact CD-O 3.18Å; R245-Q250 VanDerWaalsContact CD-OE1 3.25Å; R245-Q250 VanDerWaalsContact CG-O 3.31Å; R245-Q250 WeakPolarHBondContact CG-O 3.15Å; R245-M251 CarbonylContact C-O 3.56Å; R245-M251 WeakPolarHBondContact CA-O 3.33Å; R245-L252 HydrophobicContact CB-CD2 4.08Å
246D87.9Confident90.8Very high42 Ų4243.9 Ų43.923%0.22522%0.219CC..  trans-64.1132.2172.5-170.8-75.5000110.2L248 T249 Q250 M251 K253D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 2.92Å; D246-L248 PolarHBondContact OD1-N 3.02Å; D246-T249 WeakPolarHBondContact CB-OG1 3.34Å; D246-T249 PolarHBondContact OD1-N 2.82Å; D246-T249 PolarHBondContact OD1-OG1 3.03Å; D246-Q250 VanDerWaalsContact O-CA 3.24Å; D246-Q250 WeakPolarHBondContact O-CA 3.48Å; D246-Q250 PolarHBondContact O-N 2.98Å; D246-M251 PolarHBondContact N-O 3.46Å; D246-K253 HydrophobicContact CB-CD 4.2Å; D246-K253 IonicContact OD2-NZ 3.39Å; D246-K253 PolarHBondContact OD2-NZ 3.39Å
247K80.6Confident91.7Very high157 Ų15741.2 Ų41.268%0.68320%0.2SC*.THydrogen-bonded Turntrans-67.7-33.3-175.1-67.6-177-177.71760112.6Q250K247-Q250 PolarHBondContact O-NE2 3.29Å
248L81.4Confident92.2Very high163 Ų16344.3 Ų44.385%0.85320%0.202SC*.THydrogen-bonded Turntrans-89.3-49.4-174.1-61.7175.3000110.5D246D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 2.92Å; D246-L248 PolarHBondContact OD1-N 3.02Å
249T83.2Confident92.3Very high57 Ų5738.6 Ų38.635%0.3518%0.182SC..THydrogen-bonded Turntrans-89.8-11-173.870.30000113.6D246 M251D246-T249 WeakPolarHBondContact CB-OG1 3.34Å; D246-T249 PolarHBondContact OD1-N 2.82Å; D246-T249 PolarHBondContact OD1-OG1 3.03Å; T249-M251 HydrophobicContact CG2-SD 4.33Å; T249-M251 PolarHBondContact O-N 2.8Å; T249-M251 WeakPolarHBondContact OG1-CB 3.3Å; T249-M251 WeakPolarHBondContact OG1-CG 3.46Å; T249-M251 PolarHBondContact OG1-N 3.45Å; T249-M251 PolarHBondContact OG1-SD 3.32Å
250Q86.7Confident92.2Very high106 Ų10645 Ų4550%0.49521%0.212SC..  trans58.59-172.3-60.6-63.4-56.900114.5R245 D246 K247R245-Q250 WeakPolarHBondContact CD-O 3.18Å; R245-Q250 VanDerWaalsContact CD-OE1 3.25Å; R245-Q250 VanDerWaalsContact CG-O 3.31Å; R245-Q250 WeakPolarHBondContact CG-O 3.15Å; D246-Q250 VanDerWaalsContact O-CA 3.24Å; D246-Q250 WeakPolarHBondContact O-CA 3.48Å; D246-Q250 PolarHBondContact O-N 2.98Å; K247-Q250 PolarHBondContact O-NE2 3.29Å
251M88.6Confident92Very high50 Ų5046.9 Ų46.925%0.24623%0.227CC..  trans-75.7144.7176.9-63.8163.173.100110.8W154 E156 R245 D246 T249W154-M251 HydrophobicContact CZ3-CE 4.44Å; E156-M251 HydrophobicContact CB-CE 4.18Å; E156-M251 HydrophobicContact CG-CE 3.8Å; E156-M251 VanDerWaalsContact OE1-CE 3.29Å; E156-M251 WeakPolarHBondContact OE1-CE 3.49Å; E156-M251 WeakPolarHBondContact OE2-CE 3.06Å; R245-M251 CarbonylContact C-O 3.56Å; R245-M251 WeakPolarHBondContact CA-O 3.33Å; D246-M251 PolarHBondContact N-O 3.46Å; T249-M251 HydrophobicContact CG2-SD 4.33Å; T249-M251 PolarHBondContact O-N 2.8Å; T249-M251 WeakPolarHBondContact OG1-CB 3.3Å; T249-M251 WeakPolarHBondContact OG1-CG 3.46Å; T249-M251 PolarHBondContact OG1-N 3.45Å; T249-M251 PolarHBondContact OG1-SD 3.32Å
252L93.1Very high91.9Very high9 Ų949.7 Ų49.75%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-83.6123.4169.9-67.5158.2000108.6E156 M157 E159 L162 R228 V243 R245E156-L252 WeakPolarHBondContact CA-O 3.43Å; M157-L252 HydrophobicContact CB-CB 4.01Å; M157-L252 PolarHBondContact N-O 2.84Å; M157-L252 WeakPolarHBondContact O-CB 3.38Å; E159-L252 HydrophobicContact CB-CD1 4.42Å; L162-L252 HydrophobicContact CD1-CB 4.41Å; L162-L252 HydrophobicContact CD1-CD1 3.67Å; L162-L252 HydrophobicContact CD1-CD2 3.89Å; L162-L252 HydrophobicContact CD1-CG 4.2Å; R228-L252 HydrophobicContact CG-CD2 4.16Å; V243-L252 HydrophobicContact CG1-CB 4.4Å; R245-L252 HydrophobicContact CB-CD2 4.08Å
253K95.1Very high91.7Very high18 Ų1849.7 Ų49.78%0.07825%0.245CC..EExtended strand (participates in β ladder)trans-116.9124.8-179.8-65.6-179.6179.2171.20109.4W154 V243 A244 D246 H255W154-K253 HydrophobicContact CD2-CD 4.07Å; W154-K253 HydrophobicContact CD2-CG 4.32Å; W154-K253 HydrophobicContact CE3-CB 4.25Å; W154-K253 HydrophobicContact CE3-CD 3.95Å; W154-K253 HydrophobicContact CE3-CG 3.77Å; W154-K253 HydrophobicContact CZ3-CD 4.26Å; W154-K253 HydrophobicContact CZ3-CG 4.11Å; V243-K253 WeakPolarHBondContact CA-O 3.24Å; A244-K253 PolarHBondContact N-O 2.9Å; A244-K253 VanDerWaalsContact N-O 3.16Å; A244-K253 PolarHBondContact O-N 2.8Å; D246-K253 HydrophobicContact CB-CD 4.2Å; D246-K253 IonicContact OD2-NZ 3.39Å; D246-K253 PolarHBondContact OD2-NZ 3.39Å; K253-H255 VanDerWaalsContact CB-NE2 3.32Å; K253-H255 WeakPolarHBondContact CB-NE2 3.33Å
254C96.4Very high91.5Very high0 Ų056.1 Ų56.10%027%0.273CS..EExtended strand (participates in β ladder)trans-88.6104.5168.3-174.10000108.5W154 V155 M157 C174 V243W154-C254 CarbonylContact C-O 3.56Å; W154-C254 WeakPolarHBondContact CA-O 3.4Å; W154-C254 WeakPolarHBondContact CB-O 3.31Å; V155-C254 PolarHBondContact N-O 2.82Å; V155-C254 PolarHBondContact O-N 2.64Å; M157-C254 HydrophobicContact CG-CB 3.65Å; M157-C254 HydrophobicContact SD-CB 3.82Å; C174-C254 HydrophobicContact CB-CB 4.2Å; C174-C254 WeakPolarHBondContact CB-SG 3.44Å; V243-C254 HydrophobicContact CG2-CB 3.95Å
255H95.8Very high91.4Very high13 Ų1359 Ų596%0.0629%0.288CS..EExtended strand (participates in β ladder)trans-90.4128.6177.8-62.3-74.7000109.7W154 W193 A241 Y242 K253 F257W154-H255 WeakPolarHBondContact CB-ND1 3.12Å; W193-H255 AromaticContact CH2-CE1 3.29Å; W193-H255 WeakPolarHBondContact CH2-CE1 3.34Å; W193-H255 AromaticContact CH2-ND1 3.38Å; W193-H255 WeakPolarHBondContact CH2-ND1 3.35Å; W193-H255 AromaticContact CH2-NE2 3.95Å; W193-H255 AromaticContact CZ3-CE1 3.83Å; W193-H255 AromaticContact CZ3-ND1 3.4Å; W193-H255 WeakPolarHBondContact CZ3-ND1 3.39Å; A241-H255 WeakPolarHBondContact CA-O 3.48Å; Y242-H255 HydrophobicContact CD1-CB 4.28Å; Y242-H255 HydrophobicContact CE1-CB 3.9Å; Y242-H255 HydrophobicContact CE2-CB 4.43Å; Y242-H255 AromaticContact CE2-CD2 3.63Å; Y242-H255 AromaticContact CZ-CD2 3.71Å; Y242-H255 PolarHBondContact N-O 3.43Å; Y242-H255 PolarHBondContact O-N 3.24Å; K253-H255 VanDerWaalsContact CB-NE2 3.32Å; K253-H255 WeakPolarHBondContact CB-NE2 3.33Å; H255-F257 HydrophobicContact CB-CE2 3.61Å; H255-F257 HydrophobicContact CB-CZ 3.92Å
256V95.8Very high91.6Very high0 Ų055.1 Ų55.10%027%0.274CS..EExtended strand (participates in β ladder)trans-117137-176.5-175.10000110.4L152 G153 C174 I175 L178 A241L152-V256 HydrophobicContact CB-CB 4.29Å; L152-V256 HydrophobicContact CB-CG1 4.26Å; L152-V256 HydrophobicContact CD1-CG1 3.97Å; L152-V256 PolarHBondContact N-O 3.4Å; G153-V256 PolarHBondContact O-N 3.23Å; C174-V256 HydrophobicContact CB-CG2 4.36Å; I175-V256 HydrophobicContact CG1-CG1 4.07Å; I175-V256 HydrophobicContact CG1-CG2 4.29Å; L178-V256 HydrophobicContact CB-CB 4.4Å; L178-V256 HydrophobicContact CD1-CB 3.83Å; L178-V256 HydrophobicContact CD1-CG2 3.66Å; A241-V256 HydrophobicContact CB-CG2 3.97Å
257F95.9Very high91.8Very high1 Ų153.9 Ų53.90%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-133.9135.3-177.3-55.8-88.9000110.6V149 R150 W193 L199 L210 D239 F240 Y242 H255V149-F257 HydrophobicContact CB-CB 4.09Å; V149-F257 HydrophobicContact CG2-CB 4.33Å; V149-F257 HydrophobicContact CG2-CD1 3.92Å; V149-F257 HydrophobicContact CG2-CG 4.39Å; R150-F257 CarbonylContact O-C 3.48Å; R150-F257 VanDerWaalsContact O-CA 3.31Å; R150-F257 WeakPolarHBondContact O-CA 3.35Å; W193-F257 HydrophobicContact CZ3-CZ 4.47Å; L199-F257 HydrophobicContact CD1-CE1 4.29Å; L210-F257 HydrophobicContact CD1-CE1 3.95Å; L210-F257 HydrophobicContact CD1-CZ 3.89Å; L210-F257 HydrophobicContact CD2-CE1 4Å; L210-F257 HydrophobicContact CD2-CZ 4.17Å; D239-F257 CarbonylContact C-O 3.58Å; D239-F257 WeakPolarHBondContact CA-O 3.49Å; F240-F257 HydrophobicContact CD1-CD2 4.15Å; F240-F257 PolarHBondContact N-O 3.35Å; F240-F257 PolarHBondContact O-N 3Å; Y242-F257 HydrophobicContact CD1-CD2 4.49Å; Y242-F257 AromaticContact CD1-CE2 3.74Å; Y242-F257 HydrophobicContact CD1-CE2 3.74Å; Y242-F257 HydrophobicContact CE1-CD2 4.5Å; Y242-F257 AromaticContact CE1-CE2 3.42Å; Y242-F257 HydrophobicContact CE1-CE2 3.42Å; Y242-F257 VanDerWaalsContact CE1-CE2 3.42Å; Y242-F257 AromaticContact CE1-CZ 3.88Å; Y242-F257 HydrophobicContact CE1-CZ 3.88Å; H255-F257 HydrophobicContact CB-CE2 3.61Å; H255-F257 HydrophobicContact CB-CZ 3.92Å
258R94.3Very high92.3Very high95 Ų9550 Ų5036%0.35826%0.258SS..EExtended strand (participates in β ladder)trans-90.3123.3168.8-174158.7-66.3147.3-0.3109.8V149 R150 L152 S179 D239V149-R258 CarbonylContact C-O 3.59Å; V149-R258 VanDerWaalsContact CA-O 3.3Å; V149-R258 WeakPolarHBondContact CA-O 3.29Å; R150-R258 HydrophobicContact CB-CB 4.43Å; R150-R258 PolarHBondContact N-O 2.77Å; R150-R258 PolarHBondContact O-N 3.13Å; L152-R258 HydrophobicContact CD1-CB 4.17Å; L152-R258 HydrophobicContact CD2-CB 4.17Å; L152-R258 HydrophobicContact CG-CB 4.2Å; S179-R258 VanDerWaalsContact CB-NH2 3.33Å; S179-R258 PolarHBondContact O-NH2 2.93Å; S179-R258 PolarHBondContact OG-NH2 3.49Å; D239-R258 IonicContact OD1-CZ 2.93Å; D239-R258 IonicContact OD1-NE 3.63Å; D239-R258 PolarHBondContact OD1-NE 2.85Å; D239-R258 IonicContact OD1-NH2 3.84Å
259C95.3Very high92.8Very high7 Ų742.7 Ų42.75%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-98.5141.4-174-51.60000111.6V149 R238 A261 A263 I266V149-C259 HydrophobicContact CG1-CB 4.31Å; R238-C259 WeakPolarHBondContact O-CB 3.34Å; R238-C259 PolarHBondContact O-N 2.83Å; R238-C259 PolarHBondContact O-SG 2.82Å; R238-C259 VanDerWaalsContact O-SG 3.32Å; C259-A261 CarbonylContact C-O 3.54Å; C259-A261 WeakPolarHBondContact CB-O 3.28Å; C259-A263 HydrophobicContact CB-CB 4.44Å; C259-I266 VanDerWaalsContact SG-CD1 3.52Å
260E93.7Very high93.3Very high143 Ų14340 Ų4067%0.66820%0.204SC*.SBendtrans-71-37.4170.6-68.1-170.5170.300111.9A148 R238A148-E260 HydrophobicContact CB-CB 4.3Å; A148-E260 HydrophobicContact CB-CG 4Å; A148-E260 WeakPolarHBondContact CB-OE2 3.49Å; A148-E260 PolarHBondContact O-N 3.21Å; A148-E260 VanDerWaalsContact O-N 3.13Å; R238-E260 PolarHBondContact NH1-O 3.1Å
261A92.8Very high93.4Very high38 Ų3840.3 Ų40.331%0.31421%0.206SC..SBendtrans-91.4163.8170.500000110.9C259 A263C259-A261 CarbonylContact C-O 3.54Å; C259-A261 WeakPolarHBondContact CB-O 3.28Å; A261-A263 PolarHBondContact O-N 2.76Å
262P93.6Very high93.4Very high60 Ų6042.6 Ų42.639%0.3922%0.216SC..  trans-53.7125.4173.5-27.436.3000111.9K264 N265P262-K264 HydrophobicContact CB-CD 4.42Å; P262-K264 HydrophobicContact CB-CG 3.88Å; P262-K264 PolarHBondContact O-N 2.86Å; P262-N265 WeakPolarHBondContact O-CB 3.44Å; P262-N265 PolarHBondContact O-N 3.24Å
263A93.6Very high93.3Very high0 Ų043.7 Ų43.70%022%0.222CC..THydrogen-bonded Turntrans-61.4-22.7-176.100000112.9V232 G237 F240 C259 A261 N265 I266 A267V232-A263 HydrophobicContact CB-CB 4.47Å; V232-A263 HydrophobicContact CG1-CB 3.73Å; V232-A263 HydrophobicContact CG2-CB 4.09Å; G237-A263 PolarHBondContact O-N 2.83Å; F240-A263 HydrophobicContact CB-CB 3.87Å; C259-A263 HydrophobicContact CB-CB 4.44Å; A261-A263 PolarHBondContact O-N 2.76Å; A263-N265 PolarHBondContact O-N 3.27Å; A263-I266 PolarHBondContact O-N 3.44Å; A263-I266 VanDerWaalsContact O-N 3.14Å; A263-A267 PolarHBondContact O-N 3.36Å
264K92Very high92.8Very high134 Ų13443.8 Ų43.858%0.58322%0.224SC*.Hα-helixtrans-53.5-32.3170.670.9177.6-176.3176.90112.9P262 I266 A267 T268P262-K264 HydrophobicContact CB-CD 4.42Å; P262-K264 HydrophobicContact CB-CG 3.88Å; P262-K264 PolarHBondContact O-N 2.86Å; K264-I266 VanDerWaalsContact C-N 3.31Å; K264-I266 PolarHBondContact O-N 2.68Å; K264-A267 PolarHBondContact O-N 2.81Å; K264-T268 WeakPolarHBondContact O-CB 3.49Å; K264-T268 PolarHBondContact O-N 3.02Å; K264-T268 PolarHBondContact O-OG1 2.95Å
265N93.1Very high92.4Very high63 Ų6346.4 Ų46.434%0.33724%0.243SC..Hα-helixtrans-65.6-38.2-178.4-63.9-0.4000111.2F147 P262 A263 S269F147-N265 HydrophobicContact CE1-CB 3.93Å; P262-N265 WeakPolarHBondContact O-CB 3.44Å; P262-N265 PolarHBondContact O-N 3.24Å; A263-N265 PolarHBondContact O-N 3.27Å; N265-S269 VanDerWaalsContact O-CB 3.29Å; N265-S269 WeakPolarHBondContact O-CB 3.47Å; N265-S269 PolarHBondContact O-N 3.18Å; N265-S269 VanDerWaalsContact O-N 3.08Å; N265-S269 PolarHBondContact O-OG 3.25Å
266I94.3Very high91.9Very high2 Ų251.5 Ų51.51%0.0127%0.265CS..Hα-helixtrans-67.4-48.8174.8-54.7-176.7000109.5F147 V149 L201 F240 C259 A263 K264 T268 S269 L270F147-I266 HydrophobicContact CB-CD1 3.87Å; F147-I266 HydrophobicContact CB-CG1 4.09Å; F147-I266 HydrophobicContact CD1-CD1 4.37Å; F147-I266 HydrophobicContact CD1-CG1 3.67Å; F147-I266 HydrophobicContact CD2-CD1 4.33Å; F147-I266 HydrophobicContact CD2-CG1 3.83Å; F147-I266 HydrophobicContact CE1-CG1 4Å; F147-I266 HydrophobicContact CE2-CG1 4.14Å; F147-I266 HydrophobicContact CG-CD1 3.95Å; F147-I266 HydrophobicContact CG-CG1 3.58Å; F147-I266 HydrophobicContact CZ-CG1 4.21Å; V149-I266 HydrophobicContact CG1-CD1 3.99Å; L201-I266 HydrophobicContact CD1-CD1 4.35Å; L201-I266 HydrophobicContact CD1-CG2 4.48Å; L201-I266 HydrophobicContact CD2-CG2 4.06Å; F240-I266 HydrophobicContact CB-CD1 4.4Å; F240-I266 HydrophobicContact CD1-CD1 4.42Å; F240-I266 HydrophobicContact CD1-CG2 4.07Å; F240-I266 HydrophobicContact CD2-CB 4.15Å; F240-I266 HydrophobicContact CD2-CG2 4.03Å; F240-I266 HydrophobicContact CE1-CG2 3.87Å; F240-I266 HydrophobicContact CE2-CB 4.34Å; F240-I266 HydrophobicContact CE2-CG2 3.84Å; F240-I266 HydrophobicContact CG-CB 4.36Å; F240-I266 HydrophobicContact CG-CD1 4.33Å; F240-I266 HydrophobicContact CG-CG2 4.16Å; F240-I266 HydrophobicContact CZ-CG2 3.78Å; C259-I266 VanDerWaalsContact SG-CD1 3.52Å; A263-I266 PolarHBondContact O-N 3.44Å; A263-I266 VanDerWaalsContact O-N 3.14Å; K264-I266 VanDerWaalsContact C-N 3.31Å; K264-I266 PolarHBondContact O-N 2.68Å; I266-T268 PolarHBondContact O-N 3.35Å; I266-S269 PolarHBondContact O-N 3.48Å; I266-S269 VanDerWaalsContact O-N 3.16Å; I266-L270 HydrophobicContact CG2-CD1 4.22Å; I266-L270 PolarHBondContact O-N 2.96Å
267A92.9Very high91.4Very high15 Ų1552 Ų5212%0.12427%0.267CS..Hα-helixtrans-60.8-43.2-179.400000112.8V232 A263 K264 S269 L270 H271V232-A267 HydrophobicContact CG2-CB 3.75Å; A263-A267 PolarHBondContact O-N 3.36Å; K264-A267 PolarHBondContact O-N 2.81Å; A267-S269 VanDerWaalsContact C-N 3.35Å; A267-L270 PolarHBondContact O-N 3.47Å; A267-H271 WeakPolarHBondContact O-CB 3.31Å; A267-H271 PolarHBondContact O-N 3.31Å
268T90.3Very high90.7Very high75 Ų7557.1 Ų57.146%0.4629%0.292SS..Hα-helixtrans-64-41.6174.9-59.30000111.1K264 I266 H271 E272K264-T268 WeakPolarHBondContact O-CB 3.49Å; K264-T268 PolarHBondContact O-N 3.02Å; K264-T268 PolarHBondContact O-OG1 2.95Å; I266-T268 PolarHBondContact O-N 3.35Å; T268-H271 WeakPolarHBondContact O-CB 3.16Å; T268-H271 PolarHBondContact O-N 3.44Å; T268-E272 WeakPolarHBondContact O-CG 3.31Å; T268-E272 PolarHBondContact O-N 3.19Å
269S93.5Very high89.9Confident10 Ų1055 Ų557%0.0729%0.292CS..Hα-helixtrans-65.5-41.3178.4-63.40000112.8K145 N265 I266 A267 H271 E272 I273K145-S269 VanDerWaalsContact CD-OG 3.25Å; K145-S269 WeakPolarHBondContact CD-OG 3.45Å; K145-S269 PolarHBondContact NZ-OG 2.84Å; K145-S269 VanDerWaalsContact NZ-OG 3.11Å; N265-S269 VanDerWaalsContact O-CB 3.29Å; N265-S269 WeakPolarHBondContact O-CB 3.47Å; N265-S269 PolarHBondContact O-N 3.18Å; N265-S269 VanDerWaalsContact O-N 3.08Å; N265-S269 PolarHBondContact O-OG 3.25Å; I266-S269 PolarHBondContact O-N 3.48Å; I266-S269 VanDerWaalsContact O-N 3.16Å; A267-S269 VanDerWaalsContact C-N 3.35Å; S269-H271 VanDerWaalsContact C-N 3.33Å; S269-E272 PolarHBondContact O-N 3.32Å; S269-I273 WeakPolarHBondContact O-CG1 3.24Å; S269-I273 PolarHBondContact O-N 3Å; S269-I273 VanDerWaalsContact O-N 3.11Å
270L93.1Very high89.1Confident0 Ų058.9 Ų58.90%031%0.309CS..Hα-helixtrans-62.9-40.4171.3-78.8172.8000111.8L203 I224 I227 W230 F240 I266 A267 I273 C274L203-L270 HydrophobicContact CD1-CD2 4.13Å; L203-L270 HydrophobicContact CD1-CG 4.01Å; L203-L270 HydrophobicContact CD2-CD2 3.58Å; L203-L270 HydrophobicContact CD2-CG 4.15Å; I224-L270 HydrophobicContact CD1-CD2 3.77Å; I224-L270 HydrophobicContact CG1-CD2 3.85Å; I224-L270 HydrophobicContact CG2-CD2 4.15Å; I227-L270 HydrophobicContact CD1-CD2 4.49Å; W230-L270 HydrophobicContact CD2-CB 4.47Å; W230-L270 HydrophobicContact CD2-CD1 4.39Å; W230-L270 HydrophobicContact CG-CD1 4.3Å; W230-L270 HydrophobicContact CZ2-CB 4.34Å; F240-L270 HydrophobicContact CE1-CD1 4.4Å; F240-L270 HydrophobicContact CE2-CD1 3.92Å; F240-L270 HydrophobicContact CZ-CD1 3.4Å; F240-L270 VanDerWaalsContact CZ-CD1 3.4Å; I266-L270 HydrophobicContact CG2-CD1 4.22Å; I266-L270 PolarHBondContact O-N 2.96Å; A267-L270 PolarHBondContact O-N 3.47Å; L270-I273 PolarHBondContact O-N 3.44Å; L270-C274 VanDerWaalsContact O-CB 3.32Å; L270-C274 WeakPolarHBondContact O-CB 3.23Å; L270-C274 PolarHBondContact O-N 2.95Å; L270-C274 PolarHBondContact O-SG 3.12Å; L270-C274 VanDerWaalsContact O-SG 3.36Å
271H88.6Confident88Confident113 Ų11357 Ų5752%0.52330%0.296SS..Hα-helixtrans-62.3-43.3176.5-174.176.7000112.1W230 A267 T268 S269 C274 S275W230-H271 HydrophobicContact CZ2-CB 4.3Å; A267-H271 WeakPolarHBondContact O-CB 3.31Å; A267-H271 PolarHBondContact O-N 3.31Å; T268-H271 WeakPolarHBondContact O-CB 3.16Å; T268-H271 PolarHBondContact O-N 3.44Å; S269-H271 VanDerWaalsContact C-N 3.33Å; H271-C274 PolarHBondContact O-N 2.86Å; H271-S275 VanDerWaalsContact O-CB 3.22Å; H271-S275 WeakPolarHBondContact O-CB 3.34Å; H271-S275 PolarHBondContact O-N 3.28Å
272E88.9Confident86.9Confident99 Ų9964 Ų6446%0.46332%0.315SS..Hα-helixtrans-60.4-45.6175.2-74169.3-164.800111.9K145 T268 S269 S275 K276K145-E272 IonicContact NZ-OE2 3.83Å; K145-E272 PolarHBondContact NZ-OE2 2.96Å; T268-E272 WeakPolarHBondContact O-CG 3.31Å; T268-E272 PolarHBondContact O-N 3.19Å; S269-E272 PolarHBondContact O-N 3.32Å; E272-S275 PolarHBondContact O-N 3.03Å; E272-K276 WeakPolarHBondContact O-CB 3.41Å; E272-K276 PolarHBondContact O-N 2.79Å
273I90.4Very high85.6Confident32 Ų3266.1 Ų66.116%0.16432%0.323CS..Hα-helixtrans-64.9-46.4178-63.5163.8000110.5L203 E206 I224 S269 L270 S275 K276 I277L203-I273 HydrophobicContact CB-CD1 3.73Å; L203-I273 HydrophobicContact CD1-CD1 4.08Å; L203-I273 HydrophobicContact CG-CD1 4.43Å; E206-I273 HydrophobicContact CG-CG2 4.47Å; I224-I273 HydrophobicContact CD1-CB 4.21Å; I224-I273 HydrophobicContact CD1-CD1 3.82Å; I224-I273 HydrophobicContact CD1-CG2 3.64Å; I224-I273 HydrophobicContact CG2-CG2 4.45Å; S269-I273 WeakPolarHBondContact O-CG1 3.24Å; S269-I273 PolarHBondContact O-N 3Å; S269-I273 VanDerWaalsContact O-N 3.11Å; L270-I273 PolarHBondContact O-N 3.44Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 3.44Å; I273-K276 WeakPolarHBondContact O-CB 3.42Å; I273-K276 PolarHBondContact O-N 2.77Å; I273-I277 HydrophobicContact CG2-CD1 3.75Å; I273-I277 HydrophobicContact CG2-CG1 4.4Å; I273-I277 WeakPolarHBondContact O-CD1 3.49Å; I273-I277 VanDerWaalsContact O-CG1 3.25Å; I273-I277 WeakPolarHBondContact O-CG1 3.26Å; I273-I277 PolarHBondContact O-N 2.91Å
274C85.6Confident83.8Confident20 Ų2068.9 Ų68.914%0.13535%0.346CS..Hα-helixtrans-59.3-41.3174.5-77.50000112.3I224 W230 L270 H271 I277 M278I224-C274 WeakPolarHBondContact CG2-SG 3.3Å; W230-C274 HydrophobicContact CH2-CB 4.1Å; W230-C274 VanDerWaalsContact CH2-SG 3.51Å; L270-C274 VanDerWaalsContact O-CB 3.32Å; L270-C274 WeakPolarHBondContact O-CB 3.23Å; L270-C274 PolarHBondContact O-N 2.95Å; L270-C274 PolarHBondContact O-SG 3.12Å; L270-C274 VanDerWaalsContact O-SG 3.36Å; H271-C274 PolarHBondContact O-N 2.86Å; C274-I277 PolarHBondContact O-N 3Å; C274-M278 HydrophobicContact CB-CE 4.45Å; C274-M278 WeakPolarHBondContact O-CB 2.9Å; C274-M278 WeakPolarHBondContact O-CE 3.43Å; C274-M278 VanDerWaalsContact O-CG 3.25Å; C274-M278 WeakPolarHBondContact O-CG 3.43Å; C274-M278 PolarHBondContact O-N 3.19Å
275S86.4Confident81.9Confident55 Ų5569.9 Ų69.939%0.38535%0.345SS..Hα-helixtrans-63.4-44.8176.4-1730000111.2H271 E272 I273 M278 S279H271-S275 VanDerWaalsContact O-CB 3.22Å; H271-S275 WeakPolarHBondContact O-CB 3.34Å; H271-S275 PolarHBondContact O-N 3.28Å; E272-S275 PolarHBondContact O-N 3.03Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 3.44Å; S275-M278 PolarHBondContact O-N 3.06Å; S275-S279 WeakPolarHBondContact O-CB 3.27Å; S275-S279 PolarHBondContact O-N 3.09Å; S275-S279 PolarHBondContact O-OG 2.97Å
276K86.8Confident79.6Confident120 Ų12071 Ų7152%0.52236%0.358SS..Hα-helixtrans-57.8-52.7173.5-176.6-179.8171.9-1740110.9E272 I273 M278 S279 E280E272-K276 WeakPolarHBondContact O-CB 3.41Å; E272-K276 PolarHBondContact O-N 2.79Å; I273-K276 WeakPolarHBondContact O-CB 3.42Å; I273-K276 PolarHBondContact O-N 2.77Å; K276-M278 VanDerWaalsContact C-N 3.3Å; K276-M278 PolarHBondContact O-N 3.35Å; K276-S279 PolarHBondContact O-N 2.9Å; K276-S279 PolarHBondContact O-OG 3.11Å; K276-E280 WeakPolarHBondContact CE-OE1 3.45Å; K276-E280 HydrophobicContact CG-CG 4.41Å; K276-E280 IonicContact NZ-OE1 2.68Å; K276-E280 WeakPolarHBondContact O-CG 3.39Å; K276-E280 PolarHBondContact O-N 3.38Å
277I84.7Confident77.3Confident9 Ų977.8 Ų77.85%0.04639%0.393CS..Hα-helixtrans-54.5-46.3175.9-68.2161.5000111E206 I224 V225 I273 C274 R281E206-I277 HydrophobicContact CB-CD1 4.04Å; E206-I277 VanDerWaalsContact CD-CG1 3.44Å; E206-I277 HydrophobicContact CG-CD1 4Å; E206-I277 HydrophobicContact CG-CG1 4.04Å; E206-I277 VanDerWaalsContact OE1-CG1 3.26Å; E206-I277 WeakPolarHBondContact OE1-CG1 3.33Å; I224-I277 HydrophobicContact CG2-CD1 4.39Å; V225-I277 HydrophobicContact CG1-CD1 3.96Å; V225-I277 HydrophobicContact CG1-CG2 4.03Å; I273-I277 HydrophobicContact CG2-CD1 3.75Å; I273-I277 HydrophobicContact CG2-CG1 4.4Å; I273-I277 WeakPolarHBondContact O-CD1 3.49Å; I273-I277 VanDerWaalsContact O-CG1 3.25Å; I273-I277 WeakPolarHBondContact O-CG1 3.26Å; I273-I277 PolarHBondContact O-N 2.91Å; C274-I277 PolarHBondContact O-N 3Å; I277-R281 HydrophobicContact CG2-CG 4.46Å; I277-R281 VanDerWaalsContact O-CB 3.3Å; I277-R281 WeakPolarHBondContact O-CB 3.45Å; I277-R281 WeakPolarHBondContact O-CG 3.46Å; I277-R281 PolarHBondContact O-N 3.49Å
278M81.5Confident75Confident110 Ų11082.6 Ų82.654%0.54242%0.421SS..Hα-helixtrans-64.8-39.6178.7-76.1-172.2-70.700112.3C274 S275 K276 R282C274-M278 HydrophobicContact CB-CE 4.45Å; C274-M278 WeakPolarHBondContact O-CB 2.9Å; C274-M278 WeakPolarHBondContact O-CE 3.43Å; C274-M278 VanDerWaalsContact O-CG 3.25Å; C274-M278 WeakPolarHBondContact O-CG 3.43Å; C274-M278 PolarHBondContact O-N 3.19Å; S275-M278 PolarHBondContact O-N 3.06Å; K276-M278 VanDerWaalsContact C-N 3.3Å; K276-M278 PolarHBondContact O-N 3.35Å; M278-R282 WeakPolarHBondContact O-CB 2.95Å; M278-R282 PolarHBondContact O-N 3.45Å
279S77.4Confident72.6Confident51 Ų5185.8 Ų85.836%0.35744%0.435SS..Hα-helixtrans-69.5-42.2178.777.70000112S275 K276 R282 N283S275-S279 WeakPolarHBondContact O-CB 3.27Å; S275-S279 PolarHBondContact O-N 3.09Å; S275-S279 PolarHBondContact O-OG 2.97Å; K276-S279 PolarHBondContact O-N 2.9Å; K276-S279 PolarHBondContact O-OG 3.11Å; S279-R282 CarbonylContact O-C 3.48Å; S279-R282 WeakPolarHBondContact O-CB 3.39Å; S279-R282 PolarHBondContact O-N 3Å; S279-R282 VanDerWaalsContact O-N 3.13Å; S279-N283 WeakPolarHBondContact O-CB 3.2Å; S279-N283 VanDerWaalsContact O-CG 3.25Å; S279-N283 PolarHBondContact O-N 3.02Å
280E77.2Confident69.8Low87 Ų8788 Ų8841%0.40746%0.459SS..Hα-helixtrans-67.1-41.4176.3-71.8176.6175.900110.7K276 R282 N283 A284K276-E280 WeakPolarHBondContact CE-OE1 3.45Å; K276-E280 HydrophobicContact CG-CG 4.41Å; K276-E280 IonicContact NZ-OE1 2.68Å; K276-E280 WeakPolarHBondContact O-CG 3.39Å; K276-E280 PolarHBondContact O-N 3.38Å; E280-R282 VanDerWaalsContact C-N 3.27Å; E280-R282 PolarHBondContact O-N 3.5Å; E280-N283 PolarHBondContact O-N 3.18Å; E280-A284 VanDerWaalsContact O-CB 3.26Å; E280-A284 WeakPolarHBondContact O-CB 3.29Å; E280-A284 PolarHBondContact O-N 3.19Å
281R70.9Confident67.2Low103 Ų10395.3 Ų95.339%0.38950%0.497SS..Hα-helixtrans-61.5-34.1170.9-73.1174.8-179.2-170.21.2112.6V225 I277 R285V225-R281 VanDerWaalsContact CG1-NH2 3.29Å; I277-R281 HydrophobicContact CG2-CG 4.46Å; I277-R281 VanDerWaalsContact O-CB 3.3Å; I277-R281 WeakPolarHBondContact O-CB 3.45Å; I277-R281 WeakPolarHBondContact O-CG 3.46Å; I277-R281 PolarHBondContact O-N 3.49Å; R281-R285 WeakPolarHBondContact O-CB 3.42Å; R281-R285 VanDerWaalsContact O-CG 3.27Å; R281-R285 WeakPolarHBondContact O-CG 3.38Å; R281-R285 PolarHBondContact O-N 3.46Å; R281-R285 PolarHBondContact O-NE 3.39Å
282R70.9Confident65.2Low187 Ų18795.5 Ų95.571%0.70651%0.511SS*.Hα-helixtrans-72.3-41.9175.7-177.2178.5-177.9160.80.4111.2M278 S279 E280 R285 C286M278-R282 WeakPolarHBondContact O-CB 2.95Å; M278-R282 PolarHBondContact O-N 3.45Å; S279-R282 CarbonylContact O-C 3.48Å; S279-R282 WeakPolarHBondContact O-CB 3.39Å; S279-R282 PolarHBondContact O-N 3Å; S279-R282 VanDerWaalsContact O-N 3.13Å; E280-R282 VanDerWaalsContact C-N 3.27Å; E280-R282 PolarHBondContact O-N 3.5Å; R282-R285 PolarHBondContact O-N 3.41Å; R282-C286 PolarHBondContact O-N 3.45Å
283N64.6Low62.7Low104 Ų10498 Ų9856%0.55653%0.527SS*.Hα-helixtrans-70.6-41179.7-69.9-10000111.7S279 E280 R285 C286 L287S279-N283 WeakPolarHBondContact O-CB 3.2Å; S279-N283 VanDerWaalsContact O-CG 3.25Å; S279-N283 PolarHBondContact O-N 3.02Å; E280-N283 PolarHBondContact O-N 3.18Å; N283-R285 VanDerWaalsContact C-N 3.31Å; N283-R285 PolarHBondContact O-N 3.25Å; N283-C286 WeakPolarHBondContact O-CA 3.12Å; N283-C286 WeakPolarHBondContact O-CB 3.13Å; N283-C286 PolarHBondContact O-N 2.93Å; N283-L287 PolarHBondContact O-N 3.15Å
284A57Low60Low58 Ų58103.4 Ų103.448%0.47956%0.556SS.*Hα-helixtrans-59.8-41.4171.600000111.4E280 C286 L287 V288E280-A284 VanDerWaalsContact O-CB 3.26Å; E280-A284 WeakPolarHBondContact O-CB 3.29Å; E280-A284 PolarHBondContact O-N 3.19Å; A284-C286 VanDerWaalsContact C-N 3.31Å; A284-C286 PolarHBondContact O-N 2.9Å; A284-L287 PolarHBondContact O-N 3.41Å; A284-V288 VanDerWaalsContact O-CG2 3.28Å; A284-V288 WeakPolarHBondContact O-CG2 3.33Å; A284-V288 PolarHBondContact O-N 3.47Å; A284-V288 VanDerWaalsContact O-N 3.11Å
285R52.4Low57.8Low154 Ų154111.8 Ų111.858%0.58159%0.593SS**Hα-helixtrans-64.4-31.6172.1-79.5179.5-99.3153.2-11.7113.4R281 R282 N283 N289R281-R285 WeakPolarHBondContact O-CB 3.42Å; R281-R285 VanDerWaalsContact O-CG 3.27Å; R281-R285 WeakPolarHBondContact O-CG 3.38Å; R281-R285 PolarHBondContact O-N 3.46Å; R281-R285 PolarHBondContact O-NE 3.39Å; R282-R285 PolarHBondContact O-N 3.41Å; N283-R285 VanDerWaalsContact C-N 3.31Å; N283-R285 PolarHBondContact O-N 3.25Å; R285-N289 WeakPolarHBondContact O-CB 3.38Å; R285-N289 PolarHBondContact O-N 3.43Å; R285-N289 VanDerWaalsContact O-N 3.17Å
286C44.5Very low55.6Low88 Ų88113.2 Ų113.260%0.59560%0.603SS**Hα-helixtrans-74.9-36.9176.6-147.90000111.8R282 N283 A284 V288 N289 G290R282-C286 PolarHBondContact O-N 3.45Å; N283-C286 WeakPolarHBondContact O-CA 3.12Å; N283-C286 WeakPolarHBondContact O-CB 3.13Å; N283-C286 PolarHBondContact O-N 2.93Å; A284-C286 VanDerWaalsContact C-N 3.31Å; A284-C286 PolarHBondContact O-N 2.9Å; C286-V288 VanDerWaalsContact C-N 3.31Å; C286-V288 PolarHBondContact O-N 2.88Å; C286-N289 CarbonylContact O-C 3.52Å; C286-N289 PolarHBondContact O-N 2.88Å; C286-G290 PolarHBondContact O-N 2.8Å
287L45.7Very low53.2Low144 Ų144117 Ų11775%0.75462%0.62SS**Hα-helixtrans-65.4-35.7175-150.279.5000111.5N283 A284N283-L287 PolarHBondContact O-N 3.15Å; A284-L287 PolarHBondContact O-N 3.41Å
288V44.4Very low50.9Low116 Ų116124.5 Ų124.570%0.70366%0.659SS**Hα-helixtrans-73.1-29.9174.7175.80000112.4A284 C286A284-V288 VanDerWaalsContact O-CG2 3.28Å; A284-V288 WeakPolarHBondContact O-CG2 3.33Å; A284-V288 PolarHBondContact O-N 3.47Å; A284-V288 VanDerWaalsContact O-N 3.11Å; C286-V288 VanDerWaalsContact C-N 3.31Å; C286-V288 PolarHBondContact O-N 2.88Å
289N40.5Very low48.6Very low142 Ų142125.1 Ų125.176%0.75967%0.669SS**Hα-helixtrans-91.6-3.6177.3-73.2-7.4000114.1R285 C286R285-N289 WeakPolarHBondContact O-CB 3.38Å; R285-N289 PolarHBondContact O-N 3.43Å; R285-N289 VanDerWaalsContact O-N 3.17Å; C286-N289 CarbonylContact O-C 3.52Å; C286-N289 PolarHBondContact O-N 2.88Å
290G35.2Very low47Very low55 Ų55129.3 Ų129.357%0.56769%0.687SS**  trans-95.5-1.4-17300000115.7C286 S292C286-G290 PolarHBondContact O-N 2.8Å; G290-S292 VanDerWaalsContact C-N 3.32Å; G290-S292 PolarHBondContact O-N 3.24Å; G290-S292 VanDerWaalsContact O-N 3.14Å
291L36.8Very low44.9Very low154 Ų154130.9 Ų130.981%0.80670%0.702SS**  trans-88.374.2173.6-64179.7000110.4
292S46.7Very low43.6Very low118 Ų118131 Ų13183%0.82572%0.717SS**  trans-82.793.7142.8-178.30000106.2G290G290-S292 VanDerWaalsContact C-N 3.32Å; G290-S292 PolarHBondContact O-N 3.24Å; G290-S292 VanDerWaalsContact O-N 3.14Å
293L37.1Very low41.6Very low152 Ų152130.8 Ų130.880%0.79672%0.721SS**  trans-154.4112.2162.2-151.570.3000111.8
294D34.7Very low40.5Very low144 Ų144135.3 Ų135.377%0.7774%0.739SS**  trans25.6111142.1-125.8-13.7000118S296D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 3.48Å
295H37.6Very low39.4Very low197 Ų197136.9 Ų136.991%0.91274%0.742SS**SBendtrans-73.183.7168.6-89.8-69.5000110.3
296S40.2Very low38.6Very low85 Ų85138.3 Ų138.359%0.59476%0.755SS**  trans-172.7119.8144.742.90000112D294D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 3.48Å
297K37.6Very low37.9Very low200 Ų200142.4 Ų142.487%0.8776%0.763SS**  trans79.499.5167.4-47.6171.4-175-179.70115.1
298L35.6Very low37.3Very low165 Ų165140.5 Ų140.586%0.86476%0.76SS**  -176.6126.4104-154.268.7000111.6
299V34.3Very low36.8Very low124 Ų124138.6 Ų138.675%0.75276%0.756SS**  trans-1.2121154.5-170.70000119.6
300D42Very low36.5Very low139 Ų139135.7 Ų135.774%0.74375%0.745SS**  trans29.6113.7134.8-147.113.1000120.6
301V33.9Very low36.7Very low119 Ų119142.7 Ų142.772%0.72176%0.76SS**  trans-141.3122.9148.6-1760000108.6F303V301-F303 HydrophobicContact CG1-CD2 4.21Å
302P43.2Very low37Very low107 Ų107139.7 Ų139.770%0.69574%0.744SS**  trans-88.7116.4179.233.4-28.7000109.9
303F29.3Very low37.3Very low182 Ų182139.7 Ų139.780%0.79873%0.732SS**  trans-135.282161.7-100.4-87.8000109.7V301 V305V301-F303 HydrophobicContact CG1-CD2 4.21Å; F303-V305 HydrophobicContact CD1-CG2 4.13Å; F303-V305 PolarHBondContact O-N 3.49Å
304Q41.6Very low38.3Very low199 Ų199139.8 Ų139.893%0.9373%0.732SS**  trans-74.295.1154-78.8179.3-27.300107.8
305V34.3Very low40.3Very low91 Ų91135.9 Ų135.955%0.55271%0.713SS**  trans-132.189.4150.9-1700000106.3F303 F307F303-V305 HydrophobicContact CD1-CG2 4.13Å; F303-V305 PolarHBondContact O-N 3.49Å; V305-F307 HydrophobicContact CB-CD2 4.41Å; V305-F307 HydrophobicContact CG1-CD2 3.66Å; V305-F307 HydrophobicContact CG1-CE2 3.64Å; V305-F307 PolarHBondContact O-N 3.4Å
306E36Very low42.8Very low184 Ų184131.2 Ų131.286%0.8669%0.692SS**  trans-68.496.1171.6-167.2170.2-168.500107.9
307F29.4Very low45.3Very low173 Ų173132.9 Ų132.976%0.75969%0.688SS**  trans-74.7125.6176.3-103.7-92000109.5V305 A309V305-F307 HydrophobicContact CB-CD2 4.41Å; V305-F307 HydrophobicContact CG1-CD2 3.66Å; V305-F307 HydrophobicContact CG1-CE2 3.64Å; V305-F307 PolarHBondContact O-N 3.4Å; F307-A309 PolarHBondContact O-N 3.5Å; F307-A309 VanDerWaalsContact O-N 3.1Å
308P32.4Very low48Very low105 Ų105125 Ų12568%0.68265%0.654SS**  trans-67.4114.8-176.414.5-12.5000109.7
309A34.4Very low50.9Low75 Ų75123.3 Ų123.362%0.6264%0.642SS**  trans-53147.3170.300000110.4F307 K311F307-A309 PolarHBondContact O-N 3.5Å; F307-A309 VanDerWaalsContact O-N 3.1Å; A309-K311 PolarHBondContact O-N 2.62Å
310P33.6Very low53.8Low81 Ų81117.7 Ų117.753%0.52661%0.608SS.*  trans-55.8107.2176.6-19.530.2000110.1N312P310-N312 PolarHBondContact O-N 3.1Å
311K40.5Very low56.4Low203 Ų203115.2 Ų115.288%0.88359%0.589SS**SBendtrans-7561.5178-68.8-179.1178.5176.80111.1A309A309-K311 PolarHBondContact O-N 2.62Å
312N42.3Very low59.4Low90 Ų90110.4 Ų110.448%0.48156%0.558SS.*  trans-140.128.9164.3-157.624.1000112.1P310P310-N312 PolarHBondContact O-N 3.1Å
313E52.9Low61.9Low119 Ų119106.2 Ų106.256%0.55653%0.529SS*.SBendtrans-83.9135.1146.3-70.2-174.1170.500105.7V315E313-V315 HydrophobicContact CB-CG2 3.75Å; E313-V315 WeakPolarHBondContact O-CG2 3.25Å; E313-V315 PolarHBondContact O-N 2.83Å
314L59.2Low64.9Low153 Ų15398.5 Ų98.580%0.80150%0.501SS*.  trans-65.474.7171.2-74.5158.2000107.9Q316L314-Q316 PolarHBondContact O-N 2.64Å
315V77Confident67.4Low63 Ų6393.1 Ų93.138%0.38248%0.478SS..  trans-85.7106.1179.8179.70000106.7E313 S359 V360 A361E313-V315 HydrophobicContact CB-CG2 3.75Å; E313-V315 WeakPolarHBondContact O-CG2 3.25Å; E313-V315 PolarHBondContact O-N 2.83Å; V315-S359 WeakPolarHBondContact CG1-OG 3.24Å; V315-V360 WeakPolarHBondContact CA-O 3.42Å; V315-A361 HydrophobicContact CG2-CB 4.07Å
316Q88.4Confident70.3Confident98 Ų9890.7 Ų90.746%0.45846%0.464SS..EExtended strand (participates in β ladder)trans-86.4128.7175.7-63.1-178.163.800108.6L314 F318 S359 V360L314-Q316 PolarHBondContact O-N 2.64Å; Q316-F318 HydrophobicContact CB-CD2 4.41Å; Q316-F318 HydrophobicContact CB-CE2 3.44Å; Q316-F318 VanDerWaalsContact CB-CE2 3.44Å; Q316-F318 HydrophobicContact CB-CZ 3.67Å; Q316-F318 HydrophobicContact CG-CZ 4.5Å; Q316-S359 CarbonylContact O-C 3.57Å; Q316-S359 WeakPolarHBondContact O-CA 3.48Å; Q316-V360 PolarHBondContact N-O 3.33Å; Q316-V360 VanDerWaalsContact N-O 3.15Å; Q316-V360 PolarHBondContact O-N 3.44Å
317K92.7Very high73.1Confident120 Ų12087.3 Ų87.352%0.52246%0.458SS..EExtended strand (participates in β ladder)trans-107.2126176.2-74.2-169.9175.1-169.30109.5V358 E373K317-V358 CarbonylContact C-O 3.59Å; K317-V358 WeakPolarHBondContact CA-O 3.39Å; K317-E373 IonicContact NZ-OE1 2.81Å
318F94.8Very high76.2Confident34 Ų3480.1 Ų80.115%0.14943%0.428CS..EExtended strand (participates in β ladder)trans-116130.6179.7-59.6-86.3000110.5Q316 H357 V358 V360 L421 A424Q316-F318 HydrophobicContact CB-CD2 4.41Å; Q316-F318 HydrophobicContact CB-CE2 3.44Å; Q316-F318 VanDerWaalsContact CB-CE2 3.44Å; Q316-F318 HydrophobicContact CB-CZ 3.67Å; Q316-F318 HydrophobicContact CG-CZ 4.5Å; F318-H357 CarbonylContact O-C 3.58Å; F318-H357 VanDerWaalsContact O-CA 3.23Å; F318-H357 WeakPolarHBondContact O-CA 3.48Å; F318-V358 PolarHBondContact N-O 3.45Å; F318-V358 PolarHBondContact O-N 3.49Å; F318-V360 HydrophobicContact CD2-CG2 3.84Å; F318-V360 HydrophobicContact CE2-CB 4.22Å; F318-V360 HydrophobicContact CE2-CG2 3.69Å; F318-L421 HydrophobicContact CB-CD1 4.13Å; F318-L421 HydrophobicContact CD1-CB 4.45Å; F318-L421 HydrophobicContact CD2-CD1 3.63Å; F318-L421 HydrophobicContact CE2-CD1 4.26Å; F318-L421 HydrophobicContact CG-CB 4.31Å; F318-L421 HydrophobicContact CG-CD1 3.93Å; F318-A424 HydrophobicContact CE1-CB 4.43Å; F318-A424 HydrophobicContact CE2-CB 3.48Å; F318-A424 VanDerWaalsContact CE2-CB 3.48Å; F318-A424 HydrophobicContact CZ-CB 3.35Å
319Q95.9Very high78.9Confident131 Ų13179.7 Ų79.761%0.61243%0.434SS*.EExtended strand (participates in β ladder)trans-78.6124.9172.2-77179.4-9.300110H357Q319-H357 WeakPolarHBondContact CG-CD2 3.37Å; Q319-H357 WeakPolarHBondContact CG-NE2 3.34Å
320V96.4Very high81.6Confident6 Ų681.7 Ų81.74%0.03643%0.428CS..EExtended strand (participates in β ladder)trans-148.3169.4-178.8-63.10000110.5S356 V358 F412 W413 C414 L421V320-S356 PolarHBondContact N-O 3.01Å; V320-S356 CarbonylContact O-C 3.54Å; V320-S356 WeakPolarHBondContact O-CA 3.47Å; V320-S356 PolarHBondContact O-N 3.26Å; V320-V358 HydrophobicContact CG2-CG2 3.62Å; V320-F412 HydrophobicContact CG2-CD1 3.91Å; V320-W413 CarbonylContact C-O 3.54Å; V320-W413 WeakPolarHBondContact CA-O 3.23Å; V320-W413 WeakPolarHBondContact CB-O 3.22Å; V320-C414 HydrophobicContact CG1-CB 4.28Å; V320-L421 HydrophobicContact CG1-CD2 3.85Å
321Y96.6Very high84.2Confident87 Ų8779.6 Ų79.634%0.34142%0.415SS..EExtended strand (participates in β ladder)trans-101.8126.9162.4-61.7-97.5000109W353 P355 F412 W413Y321-W353 HydrophobicContact CD1-CB 4.27Å; Y321-W353 HydrophobicContact CG-CB 4.46Å; Y321-W353 HydrophobicContact CG-CE3 4.5Å; Y321-P355 HydrophobicContact CD1-CB 4.26Å; Y321-P355 HydrophobicContact CD1-CG 4.2Å; Y321-P355 HydrophobicContact CE1-CB 4.12Å; Y321-P355 HydrophobicContact CE1-CG 4Å; Y321-F412 WeakPolarHBondContact O-CA 3.46Å; Y321-W413 PolarHBondContact N-O 2.97Å; Y321-W413 PolarHBondContact O-N 2.93Å
322Y96.4Very high86.5Confident18 Ų1872.9 Ų72.97%0.07139%0.391CS..EExtended strand (participates in β ladder)trans-82.8119.8175.1-174.7-130.1000109.4G324 N325 T354 S356 I367 L376 H410 M411 F412Y322-G324 WeakPolarHBondContact CE2-O 3.38Å; Y322-G324 VanDerWaalsContact CZ-CA 3.45Å; Y322-G324 VanDerWaalsContact CZ-O 3.32Å; Y322-G324 PolarHBondContact OH-O 2.7Å; Y322-N325 WeakPolarHBondContact OH-CB 3.03Å; Y322-N325 PolarHBondContact OH-N 2.85Å; Y322-N325 PolarHBondContact OH-ND2 3.1Å; Y322-T354 PolarHBondContact N-O 2.94Å; Y322-T354 PolarHBondContact O-N 2.86Å; Y322-T354 VanDerWaalsContact O-N 3.1Å; Y322-S356 VanDerWaalsContact CB-OG 3.31Å; Y322-S356 WeakPolarHBondContact CB-OG 3.25Å; Y322-I367 HydrophobicContact CD1-CG2 4.28Å; Y322-I367 HydrophobicContact CD2-CD1 4.29Å; Y322-I367 HydrophobicContact CD2-CG2 4.14Å; Y322-I367 HydrophobicContact CE2-CD1 3.79Å; Y322-I367 HydrophobicContact CG-CG2 3.99Å; Y322-L376 HydrophobicContact CD1-CB 4.46Å; Y322-L376 HydrophobicContact CD1-CD1 4.2Å; Y322-H410 HydrophobicContact CE2-CB 4.43Å; Y322-H410 AromaticContact CZ-ND1 3.92Å; Y322-H410 PolarHBondContact OH-ND1 3.32Å; Y322-M411 WeakPolarHBondContact CD2-O 3.26Å; Y322-F412 AromaticContact CD2-CD1 3.74Å; Y322-F412 HydrophobicContact CD2-CD1 3.74Å; Y322-F412 AromaticContact CD2-CE1 3.42Å; Y322-F412 HydrophobicContact CD2-CE1 3.42Å; Y322-F412 VanDerWaalsContact CD2-CE1 3.42Å; Y322-F412 HydrophobicContact CD2-CZ 4.08Å; Y322-F412 HydrophobicContact CE2-CD1 4.48Å; Y322-F412 AromaticContact CE2-CE1 3.86Å; Y322-F412 HydrophobicContact CE2-CE1 3.86Å; Y322-F412 HydrophobicContact CE2-CZ 4.05Å; Y322-F412 HydrophobicContact CG-CE1 4.43Å
323L95.3Very high88.6Confident19 Ų1969.3 Ų69.310%0.09938%0.375CS..EExtended strand (participates in β ladder)trans-86.3-13.5-179.3-65.1161.8000111.6L341 V344 L345 W353 M411 F412 W413L323-L341 HydrophobicContact CD1-CD2 4Å; L323-V344 HydrophobicContact CB-CG1 4.02Å; L323-V344 HydrophobicContact CD2-CG1 4.32Å; L323-L345 HydrophobicContact CD2-CD2 4.17Å; L323-W353 HydrophobicContact CD2-CD2 3.44Å; L323-W353 VanDerWaalsContact CD2-CD2 3.44Å; L323-W353 HydrophobicContact CD2-CE3 4.04Å; L323-W353 HydrophobicContact CD2-CG 3.68Å; L323-W353 HydrophobicContact CD2-CH2 4.4Å; L323-W353 HydrophobicContact CD2-CZ2 3.87Å; L323-W353 HydrophobicContact CD2-CZ3 4.47Å; L323-M411 HydrophobicContact CB-CB 3.87Å; L323-M411 WeakPolarHBondContact CB-O 3.35Å; L323-M411 HydrophobicContact CD1-CB 3.99Å; L323-M411 PolarHBondContact N-O 2.9Å; L323-F412 VanDerWaalsContact CD1-C 3.49Å; L323-W413 HydrophobicContact CD1-CB 4.38Å
324G93.3Very high90.4Very high19 Ų1965 Ų6520%0.19636%0.357CS..EExtended strand (participates in β ladder)trans109.5-163.8-177.200000112.8Y322 M411Y322-G324 WeakPolarHBondContact CE2-O 3.38Å; Y322-G324 VanDerWaalsContact CZ-CA 3.45Å; Y322-G324 VanDerWaalsContact CZ-O 3.32Å; Y322-G324 PolarHBondContact OH-O 2.7Å; G324-M411 PolarHBondContact O-N 3.25Å; G324-M411 VanDerWaalsContact O-N 3.09Å
325N94.2Very high92Very high86 Ų8662.8 Ų62.846%0.4635%0.346SS..EExtended strand (participates in β ladder)trans-139149.1175.964.989.6000111.3Y322 C408 C409Y322-N325 WeakPolarHBondContact OH-CB 3.03Å; Y322-N325 PolarHBondContact OH-N 2.85Å; Y322-N325 PolarHBondContact OH-ND2 3.1Å; N325-C408 VanDerWaalsContact CB-SG 3.58Å; N325-C408 PolarHBondContact OD1-SG 2.94Å; N325-C409 CarbonylContact C-O 3.46Å; N325-C409 WeakPolarHBondContact CA-O 3.4Å; N325-C409 WeakPolarHBondContact CB-O 3.38Å
326V94.4Very high92.7Very high40 Ų4061.1 Ų61.124%0.24234%0.335CS..EExtended strand (participates in β ladder)trans-135143.2179.3-64.30000111V328 A340 V344 C408 C409 M411V326-V328 HydrophobicContact CG2-CG1 4.36Å; V326-A340 HydrophobicContact CG2-CB 3.61Å; V326-V344 HydrophobicContact CG1-CG2 4.38Å; V326-C408 WeakPolarHBondContact O-CA 3.41Å; V326-C409 HydrophobicContact CG2-CB 4.17Å; V326-C409 PolarHBondContact N-O 3.2Å; V326-C409 PolarHBondContact O-N 3.45Å; V326-M411 HydrophobicContact CB-CE 4.33Å; V326-M411 HydrophobicContact CG1-CE 3.91Å; V326-M411 HydrophobicContact CG2-CE 3.72Å; V326-M411 HydrophobicContact CG2-SD 4.41Å
327P94.5Very high93Very high114 Ų11456.4 Ų56.474%0.7431%0.313SS*.EExtended strand (participates in β ladder)trans-65.7140.2172.728.6-33.9000110.4F407P327-F407 CarbonylContact C-O 3.44Å; P327-F407 WeakPolarHBondContact CA-O 3.3Å
328V95.2Very high93.1Very high21 Ų2151.2 Ų51.213%0.12729%0.291CS..EExtended strand (participates in β ladder)trans-128.4147.2178.2-63.50000111.3V326 V336 I399 F407 C409V326-V328 HydrophobicContact CG2-CG1 4.36Å; V328-V336 HydrophobicContact CB-CG1 3.68Å; V328-V336 HydrophobicContact CG1-CG1 3.84Å; V328-V336 HydrophobicContact CG2-CG1 4.21Å; V328-I399 HydrophobicContact CG2-CD1 4.18Å; V328-I399 HydrophobicContact CG2-CG1 4.29Å; V328-I399 HydrophobicContact CG2-CG2 3.72Å; V328-F407 HydrophobicContact CG2-CB 3.63Å; V328-F407 PolarHBondContact N-O 3.38Å; V328-C409 HydrophobicContact CG1-CB 3.6Å; V328-C409 HydrophobicContact CG2-CB 4.36Å
329A89.6Confident93.1Very high97 Ų9751.5 Ų51.580%0.80230%0.304SS*.SBendtrans-78.3-21.4-173.800000113.9
330K90.5Very high93Very high117 Ų11745.8 Ų45.851%0.50928%0.279SS..  trans-125.2146.2-175.6-64.4179.7-175.61730110.8V332 V336K330-V332 VanDerWaalsContact C-N 3.3Å; K330-V332 PolarHBondContact O-N 3.42Å; K330-V336 HydrophobicContact CB-CG2 4.11Å; K330-V336 HydrophobicContact CD-CG2 4.21Å
331P87.3Confident92.9Very high37 Ų3745.6 Ų45.624%0.2428%0.278CS..SBendtrans-74-19.9178.327.2-32.4000113.7S385 F386 F407P331-S385 VanDerWaalsContact O-CB 3.29Å; P331-S385 WeakPolarHBondContact O-CB 3.44Å; P331-S385 PolarHBondContact O-OG 3.25Å; P331-F386 VanDerWaalsContact O-CB 3.3Å; P331-F386 WeakPolarHBondContact O-CB 3.38Å; P331-F407 HydrophobicContact CB-CD1 3.85Å; P331-F407 HydrophobicContact CB-CE1 3.56Å; P331-F407 HydrophobicContact CB-CE2 4.24Å; P331-F407 HydrophobicContact CB-CG 4.33Å; P331-F407 HydrophobicContact CB-CZ 3.76Å; P331-F407 HydrophobicContact CG-CE1 4.3Å; P331-F407 HydrophobicContact CG-CE2 4.33Å; P331-F407 HydrophobicContact CG-CZ 4Å
332V90.1Very high92.8Very high62 Ų6245.8 Ų45.838%0.37628%0.282SS..  trans-141.3153.4-173.8-60.30000110.1K330 F386K330-V332 VanDerWaalsContact C-N 3.3Å; K330-V332 PolarHBondContact O-N 3.42Å; V332-F386 HydrophobicContact CB-CB 4.32Å; V332-F386 HydrophobicContact CB-CD2 4Å; V332-F386 HydrophobicContact CB-CG 4.17Å; V332-F386 HydrophobicContact CG1-CB 4.1Å; V332-F386 HydrophobicContact CG1-CD2 4.09Å; V332-F386 HydrophobicContact CG1-CG 4.35Å
333G86.9Confident92.5Very high15 Ų1548.3 Ų48.316%0.15530%0.302CS..  trans137.8122.3175.300000112.3D335 V336 I337 F386G333-D335 VanDerWaalsContact CA-OD1 3.29Å; G333-D335 WeakPolarHBondContact CA-OD1 3.07Å; G333-D335 PolarHBondContact O-N 3.26Å; G333-V336 WeakPolarHBondContact O-CB 3.32Å; G333-V336 PolarHBondContact O-N 2.81Å; G333-I337 PolarHBondContact O-N 2.89Å; G333-F386 WeakPolarHBondContact O-CE1 3.36Å
334V90.3Very high92.3Very high28 Ų2848 Ų4817%0.1730%0.301CS..Hα-helixtrans-65.1-34.2174.41760000110.7I11 V336 I337 N338 F386I11-V334 HydrophobicContact CB-CG2 4.45Å; V334-V336 VanDerWaalsContact C-N 3.33Å; V334-I337 PolarHBondContact O-N 3.4Å; V334-N338 WeakPolarHBondContact CG1-ND2 3.49Å; V334-N338 WeakPolarHBondContact O-CB 3.2Å; V334-N338 PolarHBondContact O-N 3.2Å; V334-N338 PolarHBondContact O-ND2 2.88Å; V334-F386 HydrophobicContact CG2-CE1 3.95Å; V334-F386 HydrophobicContact CG2-CZ 3.63Å
335D91.5Very high92.2Very high107 Ų10750 Ų5057%0.57231%0.307SS*.Hα-helixtrans-61.2-39.217258.8-41.8000112.3G333 G339G333-D335 VanDerWaalsContact CA-OD1 3.29Å; G333-D335 WeakPolarHBondContact CA-OD1 3.07Å; G333-D335 PolarHBondContact O-N 3.26Å; D335-G339 PolarHBondContact O-N 3.07Å
336V92.7Very high91.9Very high27 Ų2750.7 Ų50.716%0.16432%0.319CS..Hα-helixtrans-66.6-46.7177.7-178.20000111V328 K330 G333 V334 A340 I399V328-V336 HydrophobicContact CB-CG1 3.68Å; V328-V336 HydrophobicContact CG1-CG1 3.84Å; V328-V336 HydrophobicContact CG2-CG1 4.21Å; K330-V336 HydrophobicContact CB-CG2 4.11Å; K330-V336 HydrophobicContact CD-CG2 4.21Å; G333-V336 WeakPolarHBondContact O-CB 3.32Å; G333-V336 PolarHBondContact O-N 2.81Å; V334-V336 VanDerWaalsContact C-N 3.33Å; V336-A340 PolarHBondContact O-N 3.3Å; V336-A340 VanDerWaalsContact O-N 3.14Å; V336-I399 HydrophobicContact CB-CD1 4.38Å; V336-I399 HydrophobicContact CG1-CD1 4.02Å
337I94.6Very high91.4Very high0 Ų052.9 Ų52.90%034%0.336CS..Hα-helixtrans-62.1-49.2175.9-80.5179.4000110.9G333 V334 G339 A340 L341 F386 A388 A397 I399G333-I337 PolarHBondContact O-N 2.89Å; V334-I337 PolarHBondContact O-N 3.4Å; I337-G339 VanDerWaalsContact C-N 3.34Å; I337-G339 PolarHBondContact O-N 2.88Å; I337-A340 WeakPolarHBondContact O-CB 3.37Å; I337-A340 PolarHBondContact O-N 2.98Å; I337-L341 HydrophobicContact CG2-CD1 3.71Å; I337-L341 HydrophobicContact CG2-CG 4.45Å; I337-L341 PolarHBondContact O-N 2.88Å; I337-F386 HydrophobicContact CD1-CD1 3.52Å; I337-F386 HydrophobicContact CD1-CE1 3.86Å; I337-F386 HydrophobicContact CG1-CD1 4.24Å; I337-A388 HydrophobicContact CD1-CB 3.71Å; I337-A388 HydrophobicContact CG2-CB 4.39Å; I337-A397 HydrophobicContact CD1-CB 4.26Å; I337-A397 HydrophobicContact CG1-CB 4.27Å; I337-A397 HydrophobicContact CG2-CB 3.69Å; I337-I399 HydrophobicContact CD1-CG1 4.3Å; I337-I399 HydrophobicContact CG1-CD1 4.08Å; I337-I399 HydrophobicContact CG1-CG1 3.99Å
338N94.7Very high90.8Very high10 Ų1049 Ų495%0.05331%0.311CS..Hα-helixtrans-65.5-38.2-177.6-77.9-52.5000112.1V334 A340 L341 E342 G390 R391V334-N338 WeakPolarHBondContact CG1-ND2 3.49Å; V334-N338 WeakPolarHBondContact O-CB 3.2Å; V334-N338 PolarHBondContact O-N 3.2Å; V334-N338 PolarHBondContact O-ND2 2.88Å; N338-A340 VanDerWaalsContact C-N 3.33Å; N338-A340 PolarHBondContact O-N 2.81Å; N338-L341 PolarHBondContact O-N 2.84Å; N338-E342 WeakPolarHBondContact O-CB 3.34Å; N338-E342 WeakPolarHBondContact O-CG 3.39Å; N338-E342 PolarHBondContact O-N 3.31Å; N338-G390 VanDerWaalsContact OD1-CA 3.23Å; N338-G390 WeakPolarHBondContact OD1-CA 3.37Å; N338-R391 PolarHBondContact OD1-N 2.98Å
339G94.4Very high90.1Very high40 Ų4050.4 Ų50.441%0.41232%0.322SS..Hα-helixtrans-61.7-39.9173.900000112.8D335 I337 S343D335-G339 PolarHBondContact O-N 3.07Å; I337-G339 VanDerWaalsContact C-N 3.34Å; I337-G339 PolarHBondContact O-N 2.88Å; G339-S343 PolarHBondContact O-N 3.15Å; G339-S343 VanDerWaalsContact O-N 3.17Å
340A94.6Very high89.6Confident11 Ų1151.6 Ų51.69%0.09131%0.306CS..Hα-helixtrans-65.1-46.5174.800000112.1V326 V336 I337 N338 S343 V344 C409 M411V326-A340 HydrophobicContact CG2-CB 3.61Å; V336-A340 PolarHBondContact O-N 3.3Å; V336-A340 VanDerWaalsContact O-N 3.14Å; I337-A340 WeakPolarHBondContact O-CB 3.37Å; I337-A340 PolarHBondContact O-N 2.98Å; N338-A340 VanDerWaalsContact C-N 3.33Å; N338-A340 PolarHBondContact O-N 2.81Å; A340-S343 PolarHBondContact O-N 3.11Å; A340-V344 PolarHBondContact O-N 3.2Å; A340-C409 HydrophobicContact CB-CB 4.44Å; A340-M411 VanDerWaalsContact C-SD 3.53Å; A340-M411 HydrophobicContact CB-SD 3.77Å
341L94.4Very high88.9Confident3 Ų353.5 Ų53.52%0.01632%0.317CS..Hα-helixtrans-61-46.9178-78.1166.4000111.7L323 I337 N338 S343 V344 L345 T395 A397 M411L323-L341 HydrophobicContact CD1-CD2 4Å; I337-L341 HydrophobicContact CG2-CD1 3.71Å; I337-L341 HydrophobicContact CG2-CG 4.45Å; I337-L341 PolarHBondContact O-N 2.88Å; N338-L341 PolarHBondContact O-N 2.84Å; L341-S343 VanDerWaalsContact C-N 3.31Å; L341-S343 PolarHBondContact O-N 3.31Å; L341-V344 PolarHBondContact O-N 3.22Å; L341-V344 VanDerWaalsContact O-N 3.15Å; L341-L345 HydrophobicContact CB-CD1 4.5Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.15Å; L341-T395 HydrophobicContact CD2-CG2 4.41Å; L341-A397 HydrophobicContact CD1-CB 4.35Å; L341-M411 HydrophobicContact CD2-CB 3.72Å; L341-M411 HydrophobicContact CD2-CG 3.66Å; L341-M411 HydrophobicContact CD2-SD 4.06Å; L341-M411 HydrophobicContact CG-CG 4.06Å; L341-M411 HydrophobicContact CG-SD 4.2Å
342E93.2Very high88.6Confident90 Ų9057.9 Ų57.942%0.42133%0.334SS..Hα-helixtrans-61.6-38.9178.9-76.5174.1-176.100112.4N338 V344 S346 R391N338-E342 WeakPolarHBondContact O-CB 3.34Å; N338-E342 WeakPolarHBondContact O-CG 3.39Å; N338-E342 PolarHBondContact O-N 3.31Å; E342-V344 VanDerWaalsContact C-N 3.32Å; E342-V344 PolarHBondContact O-N 3.39Å; E342-S346 VanDerWaalsContact O-CB 3.24Å; E342-S346 WeakPolarHBondContact O-CB 3.35Å; E342-S346 PolarHBondContact O-N 3.44Å; E342-S346 PolarHBondContact O-OG 3.01Å; E342-R391 IonicContact OE1-CZ 3.83Å; E342-R391 IonicContact OE1-NE 3.69Å; E342-R391 IonicContact OE1-NH1 3.62Å; E342-R391 PolarHBondContact OE1-NH1 3.28Å; E342-R391 IonicContact OE2-NH1 3.98Å
343S91.6Very high88.7Confident72 Ų7256.1 Ų56.150%0.50332%0.32SS..Hα-helixtrans-62.6-38.8175.8-173.30000112.3G339 A340 L341 S346 S347G339-S343 PolarHBondContact O-N 3.15Å; G339-S343 VanDerWaalsContact O-N 3.17Å; A340-S343 PolarHBondContact O-N 3.11Å; L341-S343 VanDerWaalsContact C-N 3.31Å; L341-S343 PolarHBondContact O-N 3.31Å; S343-S346 PolarHBondContact O-OG 3.47Å; S343-S347 WeakPolarHBondContact O-CB 3.34Å; S343-S347 PolarHBondContact O-N 2.69Å; S343-S347 PolarHBondContact O-OG 3.19Å
344V91Very high89Confident13 Ų1357.8 Ų57.88%0.07933%0.327CS..Hα-helixtrans-78.1-42.9179.8175.60000111.3L323 V326 A340 L341 E342 S346 S347 S348 M411L323-V344 HydrophobicContact CB-CG1 4.02Å; L323-V344 HydrophobicContact CD2-CG1 4.32Å; V326-V344 HydrophobicContact CG1-CG2 4.38Å; A340-V344 PolarHBondContact O-N 3.2Å; L341-V344 PolarHBondContact O-N 3.22Å; L341-V344 VanDerWaalsContact O-N 3.15Å; E342-V344 VanDerWaalsContact C-N 3.32Å; E342-V344 PolarHBondContact O-N 3.39Å; V344-S346 VanDerWaalsContact C-N 3.29Å; V344-S346 PolarHBondContact O-N 3.2Å; V344-S347 PolarHBondContact O-N 3.07Å; V344-S347 PolarHBondContact O-OG 3.05Å; V344-S348 VanDerWaalsContact O-CB 3.26Å; V344-S348 WeakPolarHBondContact O-CB 3.43Å; V344-S348 PolarHBondContact O-N 3.37Å; V344-S348 PolarHBondContact O-OG 3.44Å; V344-M411 HydrophobicContact CG2-CE 3.62Å; V344-M411 HydrophobicContact CG2-SD 4.05Å
345L90.4Very high89.2Confident59 Ų5958 Ų5831%0.30933%0.33SS..Hα-helixtrans-67-28.7180-66.2172.3000112.9L323 L341 W353 T395 W413L323-L345 HydrophobicContact CD2-CD2 4.17Å; L341-L345 HydrophobicContact CB-CD1 4.5Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.15Å; L345-W353 HydrophobicContact CD2-CH2 3.82Å; L345-W353 HydrophobicContact CD2-CZ2 3.45Å; L345-W353 VanDerWaalsContact CD2-CZ2 3.45Å; L345-T395 HydrophobicContact CD1-CG2 4.03Å; L345-W413 HydrophobicContact CD2-CE3 4.33Å; L345-W413 HydrophobicContact CD2-CZ3 4.46Å
346S88.5Confident89.5Confident102 Ų10252.9 Ų52.971%0.71330%0.302SS*.Hα-helixtrans-81.2-26.4175.257.20000113.8E342 S343 V344E342-S346 VanDerWaalsContact O-CB 3.24Å; E342-S346 WeakPolarHBondContact O-CB 3.35Å; E342-S346 PolarHBondContact O-N 3.44Å; E342-S346 PolarHBondContact O-OG 3.01Å; S343-S346 PolarHBondContact O-OG 3.47Å; V344-S346 VanDerWaalsContact C-N 3.29Å; V344-S346 PolarHBondContact O-N 3.2Å
347S83.4Confident89.5Confident85 Ų8553 Ų5359%0.59430%0.301SS*.Hα-helixtrans-96.4-26.1-176.657.70000113.9S343 V344S343-S347 WeakPolarHBondContact O-CB 3.34Å; S343-S347 PolarHBondContact O-N 2.69Å; S343-S347 PolarHBondContact O-OG 3.19Å; V344-S347 PolarHBondContact O-N 3.07Å; V344-S347 PolarHBondContact O-OG 3.05Å
348S81Confident89.6Confident32 Ų3253.1 Ų53.122%0.22430%0.302CS..SBendtrans-114.4125.8-172.6-51.40000110.6V344V344-S348 VanDerWaalsContact O-CB 3.26Å; V344-S348 WeakPolarHBondContact O-CB 3.43Å; V344-S348 PolarHBondContact O-N 3.37Å; V344-S348 PolarHBondContact O-OG 3.44Å
349S81.6Confident89.6Confident51 Ų5153.3 Ų53.336%0.35730%0.304SS..  trans-75.3155.8171.277.10000110.6E351 Q352 W353S349-E351 WeakPolarHBondContact CB-OE2 3.24Å; S349-E351 PolarHBondContact O-N 3.39Å; S349-E351 VanDerWaalsContact O-N 3.1Å; S349-E351 PolarHBondContact OG-OE2 3.02Å; S349-Q352 WeakPolarHBondContact O-CB 3.12Å; S349-Q352 PolarHBondContact O-N 3.31Å; S349-Q352 PolarHBondContact OG-NE2 2.88Å; S349-W353 PolarHBondContact O-NE1 3.37Å
350R78Confident89.7Confident122 Ų12251.7 Ų51.746%0.4629%0.286SS..G310 helixtrans-61.2-23.6-173.4-170.6162-178.8166.51.9113Q352 W353 E415R350-Q352 VanDerWaalsContact C-N 3.26Å; R350-Q352 PolarHBondContact O-N 2.93Å; R350-W353 HydrophobicContact CB-CD2 4.49Å; R350-W353 HydrophobicContact CB-CE3 4.43Å; R350-W353 HydrophobicContact CB-CH2 4.34Å; R350-W353 HydrophobicContact CB-CZ2 4.38Å; R350-W353 HydrophobicContact CB-CZ3 4.36Å; R350-W353 HydrophobicContact CG-CD2 4.24Å; R350-W353 HydrophobicContact CG-CE3 3.74Å; R350-W353 HydrophobicContact CG-CH2 4.06Å; R350-W353 HydrophobicContact CG-CZ3 3.64Å; R350-W353 PolarHBondContact O-N 3.26Å; R350-E415 IonicContact CZ-OE1 2.97Å; R350-E415 IonicContact NH2-OE1 3.66Å; R350-E415 PolarHBondContact NH2-OE1 3.11Å
351E77.4Confident89.4Confident158 Ų15851.8 Ų51.874%0.73829%0.286SS*.G310 helixtrans-72.9-16.9176.9-52.874.5-157.100113.2S349S349-E351 WeakPolarHBondContact CB-OE2 3.24Å; S349-E351 PolarHBondContact O-N 3.39Å; S349-E351 VanDerWaalsContact O-N 3.1Å; S349-E351 PolarHBondContact OG-OE2 3.02Å
352Q80.9Confident88.8Confident129 Ų12953.5 Ų53.560%0.60330%0.298SS*.G310 helixtrans-92.1-9.6179.8-60.3176.123.600112.7S349 R350S349-Q352 WeakPolarHBondContact O-CB 3.12Å; S349-Q352 PolarHBondContact O-N 3.31Å; S349-Q352 PolarHBondContact OG-NE2 2.88Å; R350-Q352 VanDerWaalsContact C-N 3.26Å; R350-Q352 PolarHBondContact O-N 2.93Å
353W91.3Very high88.4Confident24 Ų2451.2 Ų51.29%0.09129%0.294CS..SBendtrans-74.2137.1-179.3-54.8-13000110.5Y321 L323 L345 S349 R350 P355 W413Y321-W353 HydrophobicContact CD1-CB 4.27Å; Y321-W353 HydrophobicContact CG-CB 4.46Å; Y321-W353 HydrophobicContact CG-CE3 4.5Å; L323-W353 HydrophobicContact CD2-CD2 3.44Å; L323-W353 VanDerWaalsContact CD2-CD2 3.44Å; L323-W353 HydrophobicContact CD2-CE3 4.04Å; L323-W353 HydrophobicContact CD2-CG 3.68Å; L323-W353 HydrophobicContact CD2-CH2 4.4Å; L323-W353 HydrophobicContact CD2-CZ2 3.87Å; L323-W353 HydrophobicContact CD2-CZ3 4.47Å; L345-W353 HydrophobicContact CD2-CH2 3.82Å; L345-W353 HydrophobicContact CD2-CZ2 3.45Å; L345-W353 VanDerWaalsContact CD2-CZ2 3.45Å; S349-W353 PolarHBondContact O-NE1 3.37Å; R350-W353 HydrophobicContact CB-CD2 4.49Å; R350-W353 HydrophobicContact CB-CE3 4.43Å; R350-W353 HydrophobicContact CB-CH2 4.34Å; R350-W353 HydrophobicContact CB-CZ2 4.38Å; R350-W353 HydrophobicContact CB-CZ3 4.36Å; R350-W353 HydrophobicContact CG-CD2 4.24Å; R350-W353 HydrophobicContact CG-CE3 3.74Å; R350-W353 HydrophobicContact CG-CH2 4.06Å; R350-W353 HydrophobicContact CG-CZ3 3.64Å; R350-W353 PolarHBondContact O-N 3.26Å; W353-P355 VanDerWaalsContact O-CD 3.27Å; W353-P355 WeakPolarHBondContact O-CD 3.35Å; W353-W413 HydrophobicContact CE3-CB 4.01Å; W353-W413 HydrophobicContact CE3-CD2 4.48Å; W353-W413 HydrophobicContact CE3-CG 4.09Å; W353-W413 AromaticContact CH2-CD2 3.88Å; W353-W413 HydrophobicContact CH2-CD2 3.88Å; W353-W413 AromaticContact CH2-CE3 3.63Å; W353-W413 HydrophobicContact CH2-CE3 3.63Å; W353-W413 HydrophobicContact CH2-CG 4.32Å; W353-W413 HydrophobicContact CH2-CZ3 4.13Å; W353-W413 HydrophobicContact CZ3-CB 3.82Å; W353-W413 AromaticContact CZ3-CD2 3.46Å; W353-W413 HydrophobicContact CZ3-CD2 3.46Å; W353-W413 VanDerWaalsContact CZ3-CD2 3.46Å; W353-W413 AromaticContact CZ3-CE3 3.73Å; W353-W413 HydrophobicContact CZ3-CE3 3.73Å; W353-W413 AromaticContact CZ3-CG 3.49Å; W353-W413 HydrophobicContact CZ3-CG 3.49Å; W353-W413 VanDerWaalsContact CZ3-CG 3.49Å
354T92.8Very high88.4Confident50 Ų5049.4 Ų49.431%0.30728%0.28SS..EExtended strand (participates in β ladder)trans-84.2114.4-172.3-59.20000110.2Y322 S356 H369 L376Y322-T354 PolarHBondContact N-O 2.94Å; Y322-T354 PolarHBondContact O-N 2.86Å; Y322-T354 VanDerWaalsContact O-N 3.1Å; T354-S356 PolarHBondContact O-N 2.8Å; T354-S356 PolarHBondContact O-OG 2.91Å; T354-H369 VanDerWaalsContact CG2-CD2 3.46Å; T354-H369 WeakPolarHBondContact CG2-CD2 3.4Å; T354-L376 HydrophobicContact CG2-CD1 3.75Å
355P95.5Very high88.6Confident33 Ų3348.8 Ų48.821%0.21428%0.276CS..EExtended strand (participates in β ladder)trans-62.2123.4177.1-16.630.7000109.7Y321 W353 Q370Y321-P355 HydrophobicContact CD1-CB 4.26Å; Y321-P355 HydrophobicContact CD1-CG 4.2Å; Y321-P355 HydrophobicContact CE1-CB 4.12Å; Y321-P355 HydrophobicContact CE1-CG 4Å; W353-P355 VanDerWaalsContact O-CD 3.27Å; W353-P355 WeakPolarHBondContact O-CD 3.35Å; P355-Q370 HydrophobicContact CB-CB 4.05Å; P355-Q370 VanDerWaalsContact O-CB 3.24Å; P355-Q370 WeakPolarHBondContact O-CB 3.36Å; P355-Q370 PolarHBondContact O-N 3.49Å
356S96.6Very high88.8Confident0 Ų047.4 Ų47.40%027%0.271CS..EExtended strand (participates in β ladder)trans-142.9162.7-166-59.70000112.8V320 Y322 T354 L368 L376V320-S356 PolarHBondContact N-O 3.01Å; V320-S356 CarbonylContact O-C 3.54Å; V320-S356 WeakPolarHBondContact O-CA 3.47Å; V320-S356 PolarHBondContact O-N 3.26Å; Y322-S356 VanDerWaalsContact CB-OG 3.31Å; Y322-S356 WeakPolarHBondContact CB-OG 3.25Å; T354-S356 PolarHBondContact O-N 2.8Å; T354-S356 PolarHBondContact O-OG 2.91Å; S356-L368 CarbonylContact C-O 3.47Å; S356-L368 WeakPolarHBondContact CA-O 3.48Å; S356-L368 VanDerWaalsContact CB-O 3.31Å; S356-L368 WeakPolarHBondContact CB-O 3.29Å; S356-L376 WeakPolarHBondContact OG-CD1 3.25Å
357H93.8Very high89.2Confident30 Ų3042.6 Ų42.614%0.13924%0.237CC..EExtended strand (participates in β ladder)trans-114138164.8-61.7105.7000110F318 Q319 L368F318-H357 CarbonylContact O-C 3.58Å; F318-H357 VanDerWaalsContact O-CA 3.23Å; F318-H357 WeakPolarHBondContact O-CA 3.48Å; Q319-H357 WeakPolarHBondContact CG-CD2 3.37Å; Q319-H357 WeakPolarHBondContact CG-NE2 3.34Å; H357-L368 PolarHBondContact N-O 2.8Å; H357-L368 PolarHBondContact O-N 3.41Å
358V96.7Very high89.7Confident2 Ų239.6 Ų39.61%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-102.9117.8166.7179.60000108.7K317 F318 V320 V360 T366 F412 L421K317-V358 CarbonylContact C-O 3.59Å; K317-V358 WeakPolarHBondContact CA-O 3.39Å; F318-V358 PolarHBondContact N-O 3.45Å; F318-V358 PolarHBondContact O-N 3.49Å; V320-V358 HydrophobicContact CG2-CG2 3.62Å; V358-V360 HydrophobicContact CG1-CG2 4.03Å; V358-T366 WeakPolarHBondContact CA-O 3.49Å; V358-F412 HydrophobicContact CG2-CD1 3.76Å; V358-F412 HydrophobicContact CG2-CE1 3.5Å; V358-F412 VanDerWaalsContact CG2-CE1 3.5Å; V358-F412 HydrophobicContact CG2-CZ 4.23Å; V358-L421 HydrophobicContact CB-CD1 4.04Å; V358-L421 HydrophobicContact CG1-CD1 3.85Å; V358-L421 HydrophobicContact CG2-CD2 4.45Å
359S95.3Very high90.3Very high14 Ų1439.7 Ų39.710%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-97108.5176.9-178.50000109V315 Q316 L365 T366V315-S359 WeakPolarHBondContact CG1-OG 3.24Å; Q316-S359 CarbonylContact O-C 3.57Å; Q316-S359 WeakPolarHBondContact O-CA 3.48Å; S359-L365 WeakPolarHBondContact O-CA 3.49Å; S359-T366 PolarHBondContact N-O 3.46Å; S359-T366 PolarHBondContact O-N 3.37Å
360V94.8Very high90.7Very high5 Ų540.6 Ų40.63%0.0321%0.21CC..EExtended strand (participates in β ladder)trans-96.9108.2-177.3-177.90000109.3V315 Q316 F318 V358 L365 L421 A424 V425 A428V315-V360 WeakPolarHBondContact CA-O 3.42Å; Q316-V360 PolarHBondContact N-O 3.33Å; Q316-V360 VanDerWaalsContact N-O 3.15Å; Q316-V360 PolarHBondContact O-N 3.44Å; F318-V360 HydrophobicContact CD2-CG2 3.84Å; F318-V360 HydrophobicContact CE2-CB 4.22Å; F318-V360 HydrophobicContact CE2-CG2 3.69Å; V358-V360 HydrophobicContact CG1-CG2 4.03Å; V360-L365 HydrophobicContact CB-CD2 4.09Å; V360-L365 HydrophobicContact CG1-CD2 3.66Å; V360-L365 HydrophobicContact CG2-CD2 4.07Å; V360-L421 HydrophobicContact CG2-CD1 3.98Å; V360-A424 HydrophobicContact CB-CB 4.5Å; V360-A424 HydrophobicContact CG1-CB 4.25Å; V360-A424 HydrophobicContact CG2-CB 4.35Å; V360-V425 HydrophobicContact CG2-CG2 4.02Å; V360-A428 HydrophobicContact CG1-CB 4.02Å
361A89.6Confident91.1Very high13 Ų1342.1 Ų42.111%0.10722%0.222CC..  trans-110.4161.8172.200000110.6V315 A363 T364V315-A361 HydrophobicContact CG2-CB 4.07Å; A361-A363 PolarHBondContact O-N 3.11Å; A361-T364 WeakPolarHBondContact CA-O 3.49Å; A361-T364 WeakPolarHBondContact CB-O 3.32Å; A361-T364 PolarHBondContact N-O 3.38Å; A361-T364 PolarHBondContact O-N 2.76Å; A361-T364 VanDerWaalsContact O-O 3.12Å
362P81.8Confident91.6Very high39 Ų3939.2 Ų39.225%0.25322%0.215SC..SBendtrans-58.3-23.1-174.4-27.535.6000115.7
363A84.9Confident91.9Very high42 Ų4238.4 Ų38.435%0.34721%0.211SC..SBendtrans-118.4-16-178.500000114.4A361 V381A361-A363 PolarHBondContact O-N 3.11Å; A363-V381 VanDerWaalsContact C-CG2 3.47Å; A363-V381 PolarHBondContact O-N 3.46Å
364T91.3Very high91.8Very high34 Ų3439.5 Ų39.521%0.20923%0.226CC..EExtended strand (participates in β ladder)trans-147.6139.6-168.6-55.20000110.5A361 E378A361-T364 WeakPolarHBondContact CA-O 3.49Å; A361-T364 WeakPolarHBondContact CB-O 3.32Å; A361-T364 PolarHBondContact N-O 3.38Å; A361-T364 PolarHBondContact O-N 2.76Å; A361-T364 VanDerWaalsContact O-O 3.12Å; T364-E378 HydrophobicContact CG2-CG 3.46Å; T364-E378 VanDerWaalsContact CG2-CG 3.46Å
365L95Very high91.8Very high0 Ų041.7 Ų41.70%024%0.238CC..EExtended strand (participates in β ladder)trans-106.1128.9166.5-45.7177.5000107.7S359 V360 C379 V381 L384 F398 V425S359-L365 WeakPolarHBondContact O-CA 3.49Å; V360-L365 HydrophobicContact CB-CD2 4.09Å; V360-L365 HydrophobicContact CG1-CD2 3.66Å; V360-L365 HydrophobicContact CG2-CD2 4.07Å; L365-C379 HydrophobicContact CB-CB 4.21Å; L365-C379 PolarHBondContact N-O 3.19Å; L365-C379 PolarHBondContact O-N 3.06Å; L365-V381 HydrophobicContact CD2-CG2 4.27Å; L365-V381 HydrophobicContact CG-CG2 4.32Å; L365-L384 HydrophobicContact CD1-CD2 3.84Å; L365-F398 HydrophobicContact CD1-CD1 4.36Å; L365-F398 HydrophobicContact CD1-CE1 3.87Å; L365-F398 HydrophobicContact CD1-CZ 4.02Å; L365-V425 HydrophobicContact CD1-CG1 3.81Å; L365-V425 HydrophobicContact CD1-CG2 4.05Å; L365-V425 HydrophobicContact CD2-CG2 4.14Å
366T95.8Very high91.6Very high31 Ų3143.3 Ų43.319%0.1925%0.245CC..EExtended strand (participates in β ladder)trans-118.2125.9177.8-48.20000109.5V358 S359 L368 V375V358-T366 WeakPolarHBondContact CA-O 3.49Å; S359-T366 PolarHBondContact N-O 3.46Å; S359-T366 PolarHBondContact O-N 3.37Å; T366-L368 HydrophobicContact CG2-CD2 3.9Å; T366-L368 HydrophobicContact CG2-CG 4.02Å; T366-V375 HydrophobicContact CG2-CG1 4.04Å; T366-V375 HydrophobicContact CG2-CG2 4.4Å
367I96.8Very high91.3Very high1 Ų144 Ų441%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-97.8119.3176.6-48167.6000106.8Y322 L376 G377 F412Y322-I367 HydrophobicContact CD1-CG2 4.28Å; Y322-I367 HydrophobicContact CD2-CD1 4.29Å; Y322-I367 HydrophobicContact CD2-CG2 4.14Å; Y322-I367 HydrophobicContact CE2-CD1 3.79Å; Y322-I367 HydrophobicContact CG-CG2 3.99Å; I367-L376 HydrophobicContact CB-CB 4.35Å; I367-L376 HydrophobicContact CG2-CB 4.08Å; I367-L376 HydrophobicContact CG2-CD1 4.36Å; I367-L376 PolarHBondContact O-N 3.02Å; I367-G377 PolarHBondContact N-O 3.44Å; I367-G377 PolarHBondContact O-N 2.86Å; I367-F412 HydrophobicContact CD1-CE1 3.8Å; I367-F412 HydrophobicContact CD1-CZ 3.6Å; I367-F412 HydrophobicContact CG1-CE1 3.95Å; I367-F412 HydrophobicContact CG1-CZ 4.02Å; I367-F412 HydrophobicContact CG2-CE1 4.14Å
368L93.9Very high91.3Very high22 Ų2247.6 Ų47.612%0.11527%0.269CS..EExtended strand (participates in β ladder)trans-121.4139-173.9-63.1162.7000109.5S356 H357 T366 E373 A374 V375S356-L368 CarbonylContact C-O 3.47Å; S356-L368 WeakPolarHBondContact CA-O 3.48Å; S356-L368 VanDerWaalsContact CB-O 3.31Å; S356-L368 WeakPolarHBondContact CB-O 3.29Å; H357-L368 PolarHBondContact N-O 2.8Å; H357-L368 PolarHBondContact O-N 3.41Å; T366-L368 HydrophobicContact CG2-CD2 3.9Å; T366-L368 HydrophobicContact CG2-CG 4.02Å; L368-E373 WeakPolarHBondContact CD2-O 3.4Å; L368-A374 CarbonylContact C-O 3.57Å; L368-A374 WeakPolarHBondContact CA-O 3.36Å; L368-V375 HydrophobicContact CD2-CB 4.42Å; L368-V375 HydrophobicContact CD2-CG2 3.73Å
369H93.1Very high91.1Very high34 Ų3447.6 Ų47.616%0.15727%0.269CS..EExtended strand (participates in β ladder)trans-63.8135.9170.6-173.8-101.6000110.4T354 Q371 T372 E373 A374 L376T354-H369 VanDerWaalsContact CG2-CD2 3.46Å; T354-H369 WeakPolarHBondContact CG2-CD2 3.4Å; H369-Q371 VanDerWaalsContact C-N 3.33Å; H369-Q371 PolarHBondContact ND1-N 3.08Å; H369-Q371 PolarHBondContact O-N 3.01Å; H369-T372 WeakPolarHBondContact CB-OG1 3.5Å; H369-T372 PolarHBondContact ND1-N 3.21Å; H369-T372 PolarHBondContact ND1-OG1 3.43Å; H369-E373 VanDerWaalsContact O-CA 3.3Å; H369-E373 WeakPolarHBondContact O-CA 3.2Å; H369-E373 PolarHBondContact O-N 3.45Å; H369-A374 HydrophobicContact CB-CB 4.29Å; H369-A374 PolarHBondContact N-O 3.12Å; H369-L376 HydrophobicContact CB-CD1 4.19Å; H369-L376 HydrophobicContact CB-CD2 4.28Å; H369-L376 HydrophobicContact CB-CG 4.24Å
370Q89.4Confident90.8Very high70 Ų7052.9 Ų52.933%0.32729%0.287SS..THydrogen-bonded Turntrans-63-35.2-170.5176.1169.71.500113.9P355P355-Q370 HydrophobicContact CB-CB 4.05Å; P355-Q370 VanDerWaalsContact O-CB 3.24Å; P355-Q370 WeakPolarHBondContact O-CB 3.36Å; P355-Q370 PolarHBondContact O-N 3.49Å
371Q87.5Confident90.5Very high154 Ų15452.9 Ų52.972%0.7229%0.287SS*.THydrogen-bonded Turntrans-98.8-32.4-173-67.1152.4500113.6H369H369-Q371 VanDerWaalsContact C-N 3.33Å; H369-Q371 PolarHBondContact ND1-N 3.08Å; H369-Q371 PolarHBondContact O-N 3.01Å
372T87.9Confident90.3Very high97 Ų9759.2 Ų59.260%0.59531%0.308SS*.THydrogen-bonded Turntrans-105-8.1-17357.40000112.5H369 A374H369-T372 WeakPolarHBondContact CB-OG1 3.5Å; H369-T372 PolarHBondContact ND1-N 3.21Å; H369-T372 PolarHBondContact ND1-OG1 3.43Å; T372-A374 PolarHBondContact O-N 3.15Å; T372-A374 WeakPolarHBondContact OG1-CB 3.45Å; T372-A374 PolarHBondContact OG1-N 3.07Å
373E87Confident90.6Very high112 Ų11260.6 Ų60.652%0.52331%0.31SS..  trans51.218.3-169.8-60.4-158.7123.900113.8K317 L368 H369 V375K317-E373 IonicContact NZ-OE1 2.81Å; L368-E373 WeakPolarHBondContact CD2-O 3.4Å; H369-E373 VanDerWaalsContact O-CA 3.3Å; H369-E373 WeakPolarHBondContact O-CA 3.2Å; H369-E373 PolarHBondContact O-N 3.45Å; E373-V375 PolarHBondContact O-N 3.29Å
374A88.8Confident90.9Very high47 Ų4758.9 Ų58.939%0.38830%0.295SS..  trans-65.3133.9176.600000110.2L368 H369 T372 L376L368-A374 CarbonylContact C-O 3.57Å; L368-A374 WeakPolarHBondContact CA-O 3.36Å; H369-A374 HydrophobicContact CB-CB 4.29Å; H369-A374 PolarHBondContact N-O 3.12Å; T372-A374 PolarHBondContact O-N 3.15Å; T372-A374 WeakPolarHBondContact OG1-CB 3.45Å; T372-A374 PolarHBondContact OG1-N 3.07Å; A374-L376 PolarHBondContact O-N 2.95Å
375V91.5Very high90.8Very high95 Ų9557.5 Ų57.558%0.57629%0.287SS*.EExtended strand (participates in β ladder)trans-71.4110.8178.8-177.60000109.5T366 L368 E373T366-V375 HydrophobicContact CG2-CG1 4.04Å; T366-V375 HydrophobicContact CG2-CG2 4.4Å; L368-V375 HydrophobicContact CD2-CB 4.42Å; L368-V375 HydrophobicContact CD2-CG2 3.73Å; E373-V375 PolarHBondContact O-N 3.29Å
376L91.7Very high90.6Very high68 Ų6857.7 Ų57.736%0.35629%0.288SS..EExtended strand (participates in β ladder)trans-85.2-26.5175.5-58.3178.5000111.7Y322 T354 S356 I367 H369 A374Y322-L376 HydrophobicContact CD1-CB 4.46Å; Y322-L376 HydrophobicContact CD1-CD1 4.2Å; T354-L376 HydrophobicContact CG2-CD1 3.75Å; S356-L376 WeakPolarHBondContact OG-CD1 3.25Å; I367-L376 HydrophobicContact CB-CB 4.35Å; I367-L376 HydrophobicContact CG2-CB 4.08Å; I367-L376 HydrophobicContact CG2-CD1 4.36Å; I367-L376 PolarHBondContact O-N 3.02Å; H369-L376 HydrophobicContact CB-CD1 4.19Å; H369-L376 HydrophobicContact CB-CD2 4.28Å; H369-L376 HydrophobicContact CB-CG 4.24Å; A374-L376 PolarHBondContact O-N 2.95Å
377G91.1Very high90.5Very high15 Ų1556.3 Ų56.316%0.15528%0.279CS..EExtended strand (participates in β ladder)trans-172.3146.8175.400000113.3I367I367-G377 PolarHBondContact N-O 3.44Å; I367-G377 PolarHBondContact O-N 2.86Å
378E92.7Very high90.3Very high105 Ų10556.5 Ų56.549%0.49128%0.281SS..EExtended strand (participates in β ladder)trans-121117173.8-173.1-172.6130.500109.4T364 R380T364-E378 HydrophobicContact CG2-CG 3.46Å; T364-E378 VanDerWaalsContact CG2-CG 3.46Å; E378-R380 IonicContact OE1-NE 3.28Å; E378-R380 IonicContact OE1-NH2 2.72Å
379C92.4Very high90.3Very high1 Ų157.5 Ų57.51%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-116.7113.6-175.4-52.30000109.4L365 L384 F398 M400L365-C379 HydrophobicContact CB-CB 4.21Å; L365-C379 PolarHBondContact N-O 3.19Å; L365-C379 PolarHBondContact O-N 3.06Å; C379-L384 HydrophobicContact CB-CD1 4.44Å; C379-F398 HydrophobicContact CB-CE2 3.85Å; C379-F398 HydrophobicContact CB-CZ 3.94Å; C379-M400 HydrophobicContact CB-SD 3.92Å; C379-M400 VanDerWaalsContact SG-SD 3.7Å
380R89.6Confident90.1Very high126 Ų12656.4 Ų56.448%0.47529%0.286SS..EExtended strand (participates in β ladder)trans-79.9131.3178.5-60.2-174.5174.6123.93.5110.7E378 R382 F383 L384E378-R380 IonicContact OE1-NE 3.28Å; E378-R380 IonicContact OE1-NH2 2.72Å; R380-R382 HydrophobicContact CB-CG 3.89Å; R380-R382 PolarHBondContact O-N 3.45Å; R380-F383 HydrophobicContact CB-CD2 3.8Å; R380-F383 HydrophobicContact CB-CE2 4.29Å; R380-F383 HydrophobicContact CG-CD2 4.46Å; R380-F383 PolarHBondContact O-N 3.44Å; R380-L384 WeakPolarHBondContact O-CD1 3.48Å
381V89.3Confident90Very high5 Ų561.7 Ų61.73%0.0330%0.303CS..G310 helixtrans-54.9-33.1-177.8177.50000112.5A363 L365 F383 L384 A428 C429 R432A363-V381 VanDerWaalsContact C-CG2 3.47Å; A363-V381 PolarHBondContact O-N 3.46Å; L365-V381 HydrophobicContact CD2-CG2 4.27Å; L365-V381 HydrophobicContact CG-CG2 4.32Å; V381-F383 PolarHBondContact O-N 3.33Å; V381-L384 PolarHBondContact O-N 3.13Å; V381-A428 HydrophobicContact CG2-CB 4.32Å; V381-C429 HydrophobicContact CG1-CB 4.32Å; V381-R432 HydrophobicContact CG1-CB 4.1Å
382R85.4Confident90.2Very high146 Ų14657.4 Ų57.455%0.55128%0.284SS*.G310 helixtrans-60.2-24.2174.844.1-177-77.9170.7-5.7115.3R380 R432R380-R382 HydrophobicContact CB-CG 3.89Å; R380-R382 PolarHBondContact O-N 3.45Å; R382-R432 VanDerWaalsContact CB-NE 3.33Å
383F87.7Confident90.4Very high67 Ų6757 Ų5729%0.29428%0.281SS..G310 helixtrans-102.6-3.3-174.8-61.6-53.8000112.1R380 V381 S385 M400 A401R380-F383 HydrophobicContact CB-CD2 3.8Å; R380-F383 HydrophobicContact CB-CE2 4.29Å; R380-F383 HydrophobicContact CG-CD2 4.46Å; R380-F383 PolarHBondContact O-N 3.44Å; V381-F383 PolarHBondContact O-N 3.33Å; F383-S385 PolarHBondContact O-N 3.36Å; F383-M400 CarbonylContact O-C 3.49Å; F383-M400 WeakPolarHBondContact O-CA 3.12Å; F383-A401 PolarHBondContact O-N 3.39Å
384L91.6Very high90.7Very high7 Ų754 Ų544%0.03727%0.268CS..EExtended strand (participates in β ladder)trans-66.6128.4169-8560.2000108.2L8 L365 C379 R380 V381 F398 I399 M400 V425L8-L384 HydrophobicContact CD1-CB 4.27Å; L8-L384 WeakPolarHBondContact CD1-O 3.37Å; L365-L384 HydrophobicContact CD1-CD2 3.84Å; C379-L384 HydrophobicContact CB-CD1 4.44Å; R380-L384 WeakPolarHBondContact O-CD1 3.48Å; V381-L384 PolarHBondContact O-N 3.13Å; L384-F398 HydrophobicContact CD1-CD2 4.3Å; L384-F398 HydrophobicContact CD1-CE2 4.42Å; L384-F398 HydrophobicContact CD2-CB 4.49Å; L384-F398 HydrophobicContact CD2-CD2 4.34Å; L384-F398 HydrophobicContact CD2-CG 4.33Å; L384-F398 HydrophobicContact CG-CD2 4.01Å; L384-F398 HydrophobicContact CG-CG 4.43Å; L384-I399 WeakPolarHBondContact CA-O 3.44Å; L384-M400 HydrophobicContact CD1-CB 4.37Å; L384-V425 HydrophobicContact CD2-CG1 3.84Å
385S87.5Confident91Very high4 Ų451.9 Ų51.93%0.02825%0.25CC..EExtended strand (participates in β ladder)trans-107.6-28.417754.30000111.9P331 F383 I399P331-S385 VanDerWaalsContact O-CB 3.29Å; P331-S385 WeakPolarHBondContact O-CB 3.44Å; P331-S385 PolarHBondContact O-OG 3.25Å; F383-S385 PolarHBondContact O-N 3.36Å; S385-I399 PolarHBondContact N-O 2.89Å; S385-I399 WeakPolarHBondContact OG-CG2 3.26Å; S385-I399 PolarHBondContact OG-O 2.64Å
386F91.6Very high91.2Very high4 Ų447.4 Ų47.42%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-156.2150.8-177.7-163-116.3000111.2A9 P331 V332 G333 V334 I337 A388 F398 I399A9-F386 HydrophobicContact CB-CD2 4.17Å; A9-F386 HydrophobicContact CB-CE2 4.08Å; A9-F386 WeakPolarHBondContact O-CD2 3.21Å; A9-F386 WeakPolarHBondContact O-CE2 3.37Å; P331-F386 VanDerWaalsContact O-CB 3.3Å; P331-F386 WeakPolarHBondContact O-CB 3.38Å; V332-F386 HydrophobicContact CB-CB 4.32Å; V332-F386 HydrophobicContact CB-CD2 4Å; V332-F386 HydrophobicContact CB-CG 4.17Å; V332-F386 HydrophobicContact CG1-CB 4.1Å; V332-F386 HydrophobicContact CG1-CD2 4.09Å; V332-F386 HydrophobicContact CG1-CG 4.35Å; G333-F386 WeakPolarHBondContact O-CE1 3.36Å; V334-F386 HydrophobicContact CG2-CE1 3.95Å; V334-F386 HydrophobicContact CG2-CZ 3.63Å; I337-F386 HydrophobicContact CD1-CD1 3.52Å; I337-F386 HydrophobicContact CD1-CE1 3.86Å; I337-F386 HydrophobicContact CG1-CD1 4.24Å; F386-A388 HydrophobicContact CE1-CB 4.09Å; F386-F398 CarbonylContact O-C 3.54Å; F386-F398 VanDerWaalsContact O-CA 3.25Å; F386-F398 WeakPolarHBondContact O-CA 3.42Å; F386-F398 WeakPolarHBondContact O-CB 3.24Å; F386-I399 HydrophobicContact CB-CB 4.18Å; F386-I399 HydrophobicContact CB-CD1 4.22Å; F386-I399 HydrophobicContact CB-CG1 4.37Å; F386-I399 HydrophobicContact CD1-CD1 4.27Å; F386-I399 PolarHBondContact N-O 2.96Å; F386-I399 PolarHBondContact O-N 3.43Å
387L94.9Very high91.5Very high3 Ų344.1 Ų44.12%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-146.2146.4172.366.8100.2000109.4L8 F396 A397 F398 V425L8-L387 HydrophobicContact CD2-CD2 4.2Å; L387-F396 HydrophobicContact CB-CE2 4.34Å; L387-F396 HydrophobicContact CB-CZ 4.32Å; L387-F396 HydrophobicContact CD1-CE2 4.06Å; L387-F396 HydrophobicContact CD1-CZ 4.43Å; L387-A397 WeakPolarHBondContact CA-O 3.24Å; L387-F398 HydrophobicContact CB-CB 3.8Å; L387-V425 HydrophobicContact CD2-CG1 4.22Å
388A91Very high91.8Very high4 Ų443.5 Ų43.53%0.03320%0.199CC..EExtended strand (participates in β ladder)trans-156.2151.4177.300000111.5I337 F386 F396 A397I337-A388 HydrophobicContact CD1-CB 3.71Å; I337-A388 HydrophobicContact CG2-CB 4.39Å; F386-A388 HydrophobicContact CE1-CB 4.09Å; A388-F396 WeakPolarHBondContact O-CD2 3.24Å; A388-A397 PolarHBondContact N-O 2.77Å; A388-A397 PolarHBondContact O-N 2.92Å
389V93.6Very high91.9Very high44 Ų4438.5 Ų38.527%0.26718%0.175SC..EExtended strand (participates in β ladder)trans-77.7134.8158.1-179.30000107T395 F396 A418V389-T395 CarbonylContact C-O 3.37Å; V389-T395 WeakPolarHBondContact CA-O 3.35Å; V389-T395 WeakPolarHBondContact CG1-O 3.42Å; V389-F396 HydrophobicContact CG2-CD2 4.4Å; V389-A418 HydrophobicContact CG1-CB 4.01Å; V389-A418 HydrophobicContact CG2-CB 3.94Å
390G88.9Confident91.9Very high11 Ų1139.7 Ų39.711%0.11318%0.181CC..  trans-72.3-175.5178.700000112.2N338 D392 T395N338-G390 VanDerWaalsContact OD1-CA 3.23Å; N338-G390 WeakPolarHBondContact OD1-CA 3.37Å; G390-D392 PolarHBondContact O-N 3.08Å; G390-T395 VanDerWaalsContact CA-OG1 3.24Å; G390-T395 WeakPolarHBondContact CA-OG1 3.3Å; G390-T395 PolarHBondContact N-O 3.42Å; G390-T395 PolarHBondContact N-OG1 3.13Å
391R89Confident91.7Very high181 Ų18134.5 Ų34.568%0.68317%0.165SC*.SBendtrans-57-32.9175.4-72.2176.8178.5155.71.6112.7N338 E342N338-R391 PolarHBondContact OD1-N 2.98Å; E342-R391 IonicContact OE1-CZ 3.83Å; E342-R391 IonicContact OE1-NE 3.69Å; E342-R391 IonicContact OE1-NH1 3.62Å; E342-R391 PolarHBondContact OE1-NH1 3.28Å; E342-R391 IonicContact OE2-NH1 3.98Å
392D90.1Very high91.4Very high63 Ų6337.6 Ų37.634%0.33719%0.191SC..SBendtrans-89.4128.7170.8-170.2-32.3000109.4G390 H394 T395 W413G390-D392 PolarHBondContact O-N 3.08Å; D392-H394 PolarHBondContact O-N 3.48Å; D392-H394 VanDerWaalsContact O-N 3.07Å; D392-H394 IonicContact OD1-CE1 3.67Å; D392-H394 IonicContact OD1-CG 2.57Å; D392-H394 PolarHBondContact OD1-N 3.13Å; D392-H394 IonicContact OD1-ND1 3.55Å; D392-H394 PolarHBondContact OD1-ND1 3.25Å; D392-H394 IonicContact OD2-ND1 3.49Å; D392-T395 HydrophobicContact CB-CG2 3.97Å; D392-T395 PolarHBondContact O-N 3.05Å; D392-T395 PolarHBondContact O-OG1 2.88Å; D392-W413 WeakPolarHBondContact OD2-CH2 3.35Å
393V91.9Very high91.1Very high88 Ų8832 Ų3253%0.53318%0.179SC..THydrogen-bonded Turntrans-59.3-18.9179.4-60.10000113.7N417 A418V393-N417 HydrophobicContact CB-CB 4.49Å; V393-N417 HydrophobicContact CG2-CB 4.44Å; V393-A418 VanDerWaalsContact O-CB 3.26Å; V393-A418 WeakPolarHBondContact O-CB 3.48Å; V393-A418 PolarHBondContact O-N 2.71Å
394H93.9Very high90.6Very high50 Ų5035.2 Ų35.223%0.23121%0.206CC..THydrogen-bonded Turntrans-83.7-15.6175.5-53.587.3000112.4D392 W413 C414 P416D392-H394 PolarHBondContact O-N 3.48Å; D392-H394 VanDerWaalsContact O-N 3.07Å; D392-H394 IonicContact OD1-CE1 3.67Å; D392-H394 IonicContact OD1-CG 2.57Å; D392-H394 PolarHBondContact OD1-N 3.13Å; D392-H394 IonicContact OD1-ND1 3.55Å; D392-H394 PolarHBondContact OD1-ND1 3.25Å; D392-H394 IonicContact OD2-ND1 3.49Å; H394-W413 HydrophobicContact CB-CD2 3.93Å; H394-W413 HydrophobicContact CB-CE3 4.22Å; H394-W413 HydrophobicContact CB-CH2 3.79Å; H394-W413 HydrophobicContact CB-CZ2 3.48Å; H394-W413 VanDerWaalsContact CB-CZ2 3.48Å; H394-W413 HydrophobicContact CB-CZ3 4.15Å; H394-W413 AromaticContact CG-CZ2 3.68Å; H394-W413 CarbonylContact O-C 3.56Å; H394-W413 WeakPolarHBondContact O-CA 3.36Å; H394-C414 WeakPolarHBondContact CB-O 3.37Å; H394-C414 PolarHBondContact CD2-O 3.45Å; H394-C414 PolarHBondContact O-N 2.69Å; H394-P416 PolarHBondContact CD2-O 2.9Å; H394-P416 PolarHBondContact NE2-O 2.82Å; H394-P416 VanDerWaalsContact NE2-O 3.08Å
395T94.7Very high90.2Very high3 Ų339.2 Ų39.22%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-94131.3-175.660.50000111.6L341 L345 V389 G390 D392 F412 W413L341-T395 HydrophobicContact CD2-CG2 4.41Å; L345-T395 HydrophobicContact CD1-CG2 4.03Å; V389-T395 CarbonylContact C-O 3.37Å; V389-T395 WeakPolarHBondContact CA-O 3.35Å; V389-T395 WeakPolarHBondContact CG1-O 3.42Å; G390-T395 VanDerWaalsContact CA-OG1 3.24Å; G390-T395 WeakPolarHBondContact CA-OG1 3.3Å; G390-T395 PolarHBondContact N-O 3.42Å; G390-T395 PolarHBondContact N-OG1 3.13Å; D392-T395 HydrophobicContact CB-CG2 3.97Å; D392-T395 PolarHBondContact O-N 3.05Å; D392-T395 PolarHBondContact O-OG1 2.88Å; T395-F412 WeakPolarHBondContact CA-O 3.42Å; T395-W413 HydrophobicContact CG2-CE3 3.74Å; T395-W413 HydrophobicContact CG2-CZ3 3.81Å
396F97.5Very high90.3Very high0 Ų041.9 Ų41.90%026%0.259CS..EExtended strand (participates in β ladder)trans-131.1141.3175.6177.9-113.9000109.8L387 A388 V389 F398 F412 A418 L421 S422 V425L387-F396 HydrophobicContact CB-CE2 4.34Å; L387-F396 HydrophobicContact CB-CZ 4.32Å; L387-F396 HydrophobicContact CD1-CE2 4.06Å; L387-F396 HydrophobicContact CD1-CZ 4.43Å; A388-F396 WeakPolarHBondContact O-CD2 3.24Å; V389-F396 HydrophobicContact CG2-CD2 4.4Å; F396-F398 AromaticContact CE1-CD1 3.95Å; F396-F398 HydrophobicContact CE1-CD1 3.95Å; F396-F398 HydrophobicContact CZ-CD1 4.42Å; F396-F412 AromaticContact CD1-CD2 3.91Å; F396-F412 HydrophobicContact CD1-CD2 3.91Å; F396-F412 PolarHBondContact N-O 2.68Å; F396-F412 PolarHBondContact O-N 2.91Å; F396-A418 HydrophobicContact CB-CB 3.84Å; F396-L421 HydrophobicContact CD1-CD2 3.6Å; F396-L421 HydrophobicContact CD1-CG 3.84Å; F396-L421 HydrophobicContact CE1-CD2 4.11Å; F396-L421 HydrophobicContact CE1-CG 3.97Å; F396-L421 HydrophobicContact CG-CD2 4.42Å; F396-S422 VanDerWaalsContact CE2-CB 3.5Å; F396-V425 HydrophobicContact CE1-CG2 4.11Å; F396-V425 HydrophobicContact CZ-CB 4.1Å; F396-V425 HydrophobicContact CZ-CG1 4.31Å; F396-V425 HydrophobicContact CZ-CG2 4.2Å
397A97.4Very high90.3Very high0 Ų042.6 Ų42.60%026%0.263CS..EExtended strand (participates in β ladder)trans-148.1157.4173.700000112.5I337 L341 L387 A388 H410 M411I337-A397 HydrophobicContact CD1-CB 4.26Å; I337-A397 HydrophobicContact CG1-CB 4.27Å; I337-A397 HydrophobicContact CG2-CB 3.69Å; L341-A397 HydrophobicContact CD1-CB 4.35Å; L387-A397 WeakPolarHBondContact CA-O 3.24Å; A388-A397 PolarHBondContact N-O 2.77Å; A388-A397 PolarHBondContact O-N 2.92Å; A397-H410 WeakPolarHBondContact CA-O 3.19Å; A397-H410 VanDerWaalsContact CB-O 3.24Å; A397-H410 WeakPolarHBondContact CB-O 3.12Å; A397-M411 HydrophobicContact CB-CG 3.9Å
398F96.9Very high90.3Very high2 Ų243.3 Ų43.31%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-138.4149.116961.3-100.9000111.2L365 C379 L384 F386 L387 F396 C409 H410 F412L365-F398 HydrophobicContact CD1-CD1 4.36Å; L365-F398 HydrophobicContact CD1-CE1 3.87Å; L365-F398 HydrophobicContact CD1-CZ 4.02Å; C379-F398 HydrophobicContact CB-CE2 3.85Å; C379-F398 HydrophobicContact CB-CZ 3.94Å; L384-F398 HydrophobicContact CD1-CD2 4.3Å; L384-F398 HydrophobicContact CD1-CE2 4.42Å; L384-F398 HydrophobicContact CD2-CB 4.49Å; L384-F398 HydrophobicContact CD2-CD2 4.34Å; L384-F398 HydrophobicContact CD2-CG 4.33Å; L384-F398 HydrophobicContact CG-CD2 4.01Å; L384-F398 HydrophobicContact CG-CG 4.43Å; F386-F398 CarbonylContact O-C 3.54Å; F386-F398 VanDerWaalsContact O-CA 3.25Å; F386-F398 WeakPolarHBondContact O-CA 3.42Å; F386-F398 WeakPolarHBondContact O-CB 3.24Å; L387-F398 HydrophobicContact CB-CB 3.8Å; F396-F398 AromaticContact CE1-CD1 3.95Å; F396-F398 HydrophobicContact CE1-CD1 3.95Å; F396-F398 HydrophobicContact CZ-CD1 4.42Å; F398-C409 CarbonylContact O-C 3.6Å; F398-C409 WeakPolarHBondContact O-CA 3.29Å; F398-H410 HydrophobicContact CD2-CB 4.27Å; F398-H410 HydrophobicContact CE1-CB 4.16Å; F398-H410 HydrophobicContact CE2-CB 3.74Å; F398-H410 AromaticContact CE2-CD2 3.87Å; F398-H410 AromaticContact CE2-CG 3.87Å; F398-H410 HydrophobicContact CZ-CB 3.68Å; F398-H410 PolarHBondContact N-O 2.92Å; F398-H410 VanDerWaalsContact N-O 3.07Å; F398-H410 PolarHBondContact O-N 3.44Å; F398-F412 AromaticContact CD1-CE2 3.88Å; F398-F412 HydrophobicContact CD1-CE2 3.88Å; F398-F412 HydrophobicContact CE1-CD2 4.48Å; F398-F412 AromaticContact CE1-CE2 3.36Å; F398-F412 HydrophobicContact CE1-CE2 3.36Å; F398-F412 AromaticContact CE1-CZ 3.72Å; F398-F412 HydrophobicContact CE1-CZ 3.72Å; F398-F412 HydrophobicContact CZ-CE2 4.09Å; F398-F412 HydrophobicContact CZ-CZ 4.13Å
399I94.2Very high90.6Very high0 Ų043.1 Ų43.10%027%0.266CS..EExtended strand (participates in β ladder)trans-100.1131.8174.4-55.7176.4000108.1V328 V336 I337 L384 S385 F386 F407 C408 C409V328-I399 HydrophobicContact CG2-CD1 4.18Å; V328-I399 HydrophobicContact CG2-CG1 4.29Å; V328-I399 HydrophobicContact CG2-CG2 3.72Å; V336-I399 HydrophobicContact CB-CD1 4.38Å; V336-I399 HydrophobicContact CG1-CD1 4.02Å; I337-I399 HydrophobicContact CD1-CG1 4.3Å; I337-I399 HydrophobicContact CG1-CD1 4.08Å; I337-I399 HydrophobicContact CG1-CG1 3.99Å; L384-I399 WeakPolarHBondContact CA-O 3.44Å; S385-I399 PolarHBondContact N-O 2.89Å; S385-I399 WeakPolarHBondContact OG-CG2 3.26Å; S385-I399 PolarHBondContact OG-O 2.64Å; F386-I399 HydrophobicContact CB-CB 4.18Å; F386-I399 HydrophobicContact CB-CD1 4.22Å; F386-I399 HydrophobicContact CB-CG1 4.37Å; F386-I399 HydrophobicContact CD1-CD1 4.27Å; F386-I399 PolarHBondContact N-O 2.96Å; F386-I399 PolarHBondContact O-N 3.43Å; I399-F407 HydrophobicContact CG2-CB 3.81Å; I399-C408 CarbonylContact C-O 3.51Å; I399-C408 WeakPolarHBondContact CA-O 3.5Å; I399-C409 HydrophobicContact CG1-CB 4.32Å
400M92.4Very high90.7Very high25 Ų2541.7 Ų41.712%0.12326%0.256CS..EExtended strand (participates in β ladder)trans-122.9146.6172.365.8174.5-71.300112.2C379 F383 L384 A402 F407 C408C379-M400 HydrophobicContact CB-SD 3.92Å; C379-M400 VanDerWaalsContact SG-SD 3.7Å; F383-M400 CarbonylContact O-C 3.49Å; F383-M400 WeakPolarHBondContact O-CA 3.12Å; L384-M400 HydrophobicContact CD1-CB 4.37Å; M400-A402 PolarHBondContact O-N 3.34Å; M400-F407 CarbonylContact O-C 3.57Å; M400-F407 VanDerWaalsContact O-CA 3.32Å; M400-F407 WeakPolarHBondContact O-CA 3.35Å; M400-C408 HydrophobicContact CG-CB 4.33Å; M400-C408 PolarHBondContact N-O 3.34Å; M400-C408 PolarHBondContact O-N 2.9Å
401A86.9Confident91.1Very high18 Ų1841.2 Ų41.215%0.14925%0.251CS..EExtended strand (participates in β ladder)trans-74.9116.6169.900000110.2F383 F407F383-A401 PolarHBondContact O-N 3.39Å; A401-F407 HydrophobicContact CB-CD1 4.19Å; A401-F407 HydrophobicContact CB-CE1 4.25Å
402A82.8Confident91.5Very high70 Ų7032.6 Ų32.658%0.57922%0.218SC*.EExtended strand (participates in β ladder)trans-94.1-19174.800000112.3M400 S406M400-A402 PolarHBondContact O-N 3.34Å; A402-S406 PolarHBondContact N-O 3.36Å
403G78.5Confident91.8Very high29 Ų2930.6 Ų30.630%0.29921%0.206SC..EExtended strand (participates in β ladder)trans-176-175.6178.500000111.9A405 S406G403-A405 PolarHBondContact O-N 2.84Å; G403-A405 VanDerWaalsContact O-N 3.07Å; G403-S406 PolarHBondContact N-O 3.17Å; G403-S406 PolarHBondContact O-N 2.88Å; G403-S406 VanDerWaalsContact O-N 3.1Å
404P78.1Confident92Very high133 Ų13326.6 Ų26.686%0.86418%0.182SC*.THydrogen-bonded Turntrans-57.7114.7175.2-21.132.9000110.4S406P404-S406 PolarHBondContact O-N 3.16Å; P404-S406 VanDerWaalsContact O-N 3.12Å
405A81.9Confident91.8Very high92 Ų9228.5 Ų28.576%0.7619%0.191SC*.THydrogen-bonded Turntrans56.519.7-175.600000115.7G403G403-A405 PolarHBondContact O-N 2.84Å; G403-A405 VanDerWaalsContact O-N 3.07Å
406S89.2Confident91.5Very high59 Ų5933.2 Ų33.241%0.41322%0.222SC..EExtended strand (participates in β ladder)trans-113.5121.9175.3-178.70000109.7A402 G403 P404A402-S406 PolarHBondContact N-O 3.36Å; G403-S406 PolarHBondContact N-O 3.17Å; G403-S406 PolarHBondContact O-N 2.88Å; G403-S406 VanDerWaalsContact O-N 3.1Å; P404-S406 PolarHBondContact O-N 3.16Å; P404-S406 VanDerWaalsContact O-N 3.12Å
407F92.6Very high91.3Very high20 Ų2036.4 Ų36.49%0.08824%0.239CC..EExtended strand (participates in β ladder)trans-125.7145.6-176.5-49.2-73.6000110.6P327 V328 P331 I399 M400 A401P327-F407 CarbonylContact C-O 3.44Å; P327-F407 WeakPolarHBondContact CA-O 3.3Å; V328-F407 HydrophobicContact CG2-CB 3.63Å; V328-F407 PolarHBondContact N-O 3.38Å; P331-F407 HydrophobicContact CB-CD1 3.85Å; P331-F407 HydrophobicContact CB-CE1 3.56Å; P331-F407 HydrophobicContact CB-CE2 4.24Å; P331-F407 HydrophobicContact CB-CG 4.33Å; P331-F407 HydrophobicContact CB-CZ 3.76Å; P331-F407 HydrophobicContact CG-CE1 4.3Å; P331-F407 HydrophobicContact CG-CE2 4.33Å; P331-F407 HydrophobicContact CG-CZ 4Å; I399-F407 HydrophobicContact CG2-CB 3.81Å; M400-F407 CarbonylContact O-C 3.57Å; M400-F407 VanDerWaalsContact O-CA 3.32Å; M400-F407 WeakPolarHBondContact O-CA 3.35Å; A401-F407 HydrophobicContact CB-CD1 4.19Å; A401-F407 HydrophobicContact CB-CE1 4.25Å
408C95.1Very high91.1Very high17 Ų1736.4 Ų36.412%0.11524%0.239CC..EExtended strand (participates in β ladder)trans-128.4131.9178.8-164.10000109.6N325 V326 I399 M400N325-C408 VanDerWaalsContact CB-SG 3.58Å; N325-C408 PolarHBondContact OD1-SG 2.94Å; V326-C408 WeakPolarHBondContact O-CA 3.41Å; I399-C408 CarbonylContact C-O 3.51Å; I399-C408 WeakPolarHBondContact CA-O 3.5Å; M400-C408 HydrophobicContact CG-CB 4.33Å; M400-C408 PolarHBondContact N-O 3.34Å; M400-C408 PolarHBondContact O-N 2.9Å
409C96.3Very high90.6Very high0 Ų038.7 Ų38.70%026%0.258CS..EExtended strand (participates in β ladder)trans-99.7118.8176.5-174.60000109.2N325 V326 V328 A340 F398 I399N325-C409 CarbonylContact C-O 3.46Å; N325-C409 WeakPolarHBondContact CA-O 3.4Å; N325-C409 WeakPolarHBondContact CB-O 3.38Å; V326-C409 HydrophobicContact CG2-CB 4.17Å; V326-C409 PolarHBondContact N-O 3.2Å; V326-C409 PolarHBondContact O-N 3.45Å; V328-C409 HydrophobicContact CG1-CB 3.6Å; V328-C409 HydrophobicContact CG2-CB 4.36Å; A340-C409 HydrophobicContact CB-CB 4.44Å; F398-C409 CarbonylContact O-C 3.6Å; F398-C409 WeakPolarHBondContact O-CA 3.29Å; I399-C409 HydrophobicContact CG1-CB 4.32Å
410H97.4Very high90.4Very high15 Ų1542.1 Ų42.17%0.06928%0.282CS..EExtended strand (participates in β ladder)trans-96.7134.8172.9-71.2-106.4000109.4Y322 A397 F398 F412Y322-H410 HydrophobicContact CE2-CB 4.43Å; Y322-H410 AromaticContact CZ-ND1 3.92Å; Y322-H410 PolarHBondContact OH-ND1 3.32Å; A397-H410 WeakPolarHBondContact CA-O 3.19Å; A397-H410 VanDerWaalsContact CB-O 3.24Å; A397-H410 WeakPolarHBondContact CB-O 3.12Å; F398-H410 HydrophobicContact CD2-CB 4.27Å; F398-H410 HydrophobicContact CE1-CB 4.16Å; F398-H410 HydrophobicContact CE2-CB 3.74Å; F398-H410 AromaticContact CE2-CD2 3.87Å; F398-H410 AromaticContact CE2-CG 3.87Å; F398-H410 HydrophobicContact CZ-CB 3.68Å; F398-H410 PolarHBondContact N-O 2.92Å; F398-H410 VanDerWaalsContact N-O 3.07Å; F398-H410 PolarHBondContact O-N 3.44Å; H410-F412 HydrophobicContact CB-CE2 3.85Å; H410-F412 HydrophobicContact CB-CZ 3.99Å
411M97.1Very high90.4Very high0 Ų041.1 Ų41.10%028%0.277CS..EExtended strand (participates in β ladder)trans-127.1141.6-170.7-66.1163.1-69.500111.6Y322 L323 G324 V326 A340 L341 V344 A397Y322-M411 WeakPolarHBondContact CD2-O 3.26Å; L323-M411 HydrophobicContact CB-CB 3.87Å; L323-M411 WeakPolarHBondContact CB-O 3.35Å; L323-M411 HydrophobicContact CD1-CB 3.99Å; L323-M411 PolarHBondContact N-O 2.9Å; G324-M411 PolarHBondContact O-N 3.25Å; G324-M411 VanDerWaalsContact O-N 3.09Å; V326-M411 HydrophobicContact CB-CE 4.33Å; V326-M411 HydrophobicContact CG1-CE 3.91Å; V326-M411 HydrophobicContact CG2-CE 3.72Å; V326-M411 HydrophobicContact CG2-SD 4.41Å; A340-M411 VanDerWaalsContact C-SD 3.53Å; A340-M411 HydrophobicContact CB-SD 3.77Å; L341-M411 HydrophobicContact CD2-CB 3.72Å; L341-M411 HydrophobicContact CD2-CG 3.66Å; L341-M411 HydrophobicContact CD2-SD 4.06Å; L341-M411 HydrophobicContact CG-CG 4.06Å; L341-M411 HydrophobicContact CG-SD 4.2Å; V344-M411 HydrophobicContact CG2-CE 3.62Å; V344-M411 HydrophobicContact CG2-SD 4.05Å; A397-M411 HydrophobicContact CB-CG 3.9Å
412F97.4Very high90.7Very high0 Ų040.6 Ų40.60%027%0.273CS..EExtended strand (participates in β ladder)trans-138.5146.3-174.8-50.8-89.8000111.2V320 Y321 Y322 L323 V358 I367 T395 F396 F398 H410V320-F412 HydrophobicContact CG2-CD1 3.91Å; Y321-F412 WeakPolarHBondContact O-CA 3.46Å; Y322-F412 AromaticContact CD2-CD1 3.74Å; Y322-F412 HydrophobicContact CD2-CD1 3.74Å; Y322-F412 AromaticContact CD2-CE1 3.42Å; Y322-F412 HydrophobicContact CD2-CE1 3.42Å; Y322-F412 VanDerWaalsContact CD2-CE1 3.42Å; Y322-F412 HydrophobicContact CD2-CZ 4.08Å; Y322-F412 HydrophobicContact CE2-CD1 4.48Å; Y322-F412 AromaticContact CE2-CE1 3.86Å; Y322-F412 HydrophobicContact CE2-CE1 3.86Å; Y322-F412 HydrophobicContact CE2-CZ 4.05Å; Y322-F412 HydrophobicContact CG-CE1 4.43Å; L323-F412 VanDerWaalsContact CD1-C 3.49Å; V358-F412 HydrophobicContact CG2-CD1 3.76Å; V358-F412 HydrophobicContact CG2-CE1 3.5Å; V358-F412 VanDerWaalsContact CG2-CE1 3.5Å; V358-F412 HydrophobicContact CG2-CZ 4.23Å; I367-F412 HydrophobicContact CD1-CE1 3.8Å; I367-F412 HydrophobicContact CD1-CZ 3.6Å; I367-F412 HydrophobicContact CG1-CE1 3.95Å; I367-F412 HydrophobicContact CG1-CZ 4.02Å; I367-F412 HydrophobicContact CG2-CE1 4.14Å; T395-F412 WeakPolarHBondContact CA-O 3.42Å; F396-F412 AromaticContact CD1-CD2 3.91Å; F396-F412 HydrophobicContact CD1-CD2 3.91Å; F396-F412 PolarHBondContact N-O 2.68Å; F396-F412 PolarHBondContact O-N 2.91Å; F398-F412 AromaticContact CD1-CE2 3.88Å; F398-F412 HydrophobicContact CD1-CE2 3.88Å; F398-F412 HydrophobicContact CE1-CD2 4.48Å; F398-F412 AromaticContact CE1-CE2 3.36Å; F398-F412 HydrophobicContact CE1-CE2 3.36Å; F398-F412 AromaticContact CE1-CZ 3.72Å; F398-F412 HydrophobicContact CE1-CZ 3.72Å; F398-F412 HydrophobicContact CZ-CE2 4.09Å; F398-F412 HydrophobicContact CZ-CZ 4.13Å; H410-F412 HydrophobicContact CB-CE2 3.85Å; H410-F412 HydrophobicContact CB-CZ 3.99Å
413W96.4Very high90.9Very high21 Ų2143.6 Ų43.68%0.0828%0.275CS..EExtended strand (participates in β ladder)trans-107125.8164.9-177-78.9000109.5V320 Y321 L323 L345 W353 D392 H394 T395 E415V320-W413 CarbonylContact C-O 3.54Å; V320-W413 WeakPolarHBondContact CA-O 3.23Å; V320-W413 WeakPolarHBondContact CB-O 3.22Å; Y321-W413 PolarHBondContact N-O 2.97Å; Y321-W413 PolarHBondContact O-N 2.93Å; L323-W413 HydrophobicContact CD1-CB 4.38Å; L345-W413 HydrophobicContact CD2-CE3 4.33Å; L345-W413 HydrophobicContact CD2-CZ3 4.46Å; W353-W413 HydrophobicContact CE3-CB 4.01Å; W353-W413 HydrophobicContact CE3-CD2 4.48Å; W353-W413 HydrophobicContact CE3-CG 4.09Å; W353-W413 AromaticContact CH2-CD2 3.88Å; W353-W413 HydrophobicContact CH2-CD2 3.88Å; W353-W413 AromaticContact CH2-CE3 3.63Å; W353-W413 HydrophobicContact CH2-CE3 3.63Å; W353-W413 HydrophobicContact CH2-CG 4.32Å; W353-W413 HydrophobicContact CH2-CZ3 4.13Å; W353-W413 HydrophobicContact CZ3-CB 3.82Å; W353-W413 AromaticContact CZ3-CD2 3.46Å; W353-W413 HydrophobicContact CZ3-CD2 3.46Å; W353-W413 VanDerWaalsContact CZ3-CD2 3.46Å; W353-W413 AromaticContact CZ3-CE3 3.73Å; W353-W413 HydrophobicContact CZ3-CE3 3.73Å; W353-W413 AromaticContact CZ3-CG 3.49Å; W353-W413 HydrophobicContact CZ3-CG 3.49Å; W353-W413 VanDerWaalsContact CZ3-CG 3.49Å; D392-W413 WeakPolarHBondContact OD2-CH2 3.35Å; H394-W413 HydrophobicContact CB-CD2 3.93Å; H394-W413 HydrophobicContact CB-CE3 4.22Å; H394-W413 HydrophobicContact CB-CH2 3.79Å; H394-W413 HydrophobicContact CB-CZ2 3.48Å; H394-W413 VanDerWaalsContact CB-CZ2 3.48Å; H394-W413 HydrophobicContact CB-CZ3 4.15Å; H394-W413 AromaticContact CG-CZ2 3.68Å; H394-W413 CarbonylContact O-C 3.56Å; H394-W413 WeakPolarHBondContact O-CA 3.36Å; T395-W413 HydrophobicContact CG2-CE3 3.74Å; T395-W413 HydrophobicContact CG2-CZ3 3.81Å; W413-E415 PolarHBondContact NE1-OE1 2.96Å
414C94.5Very high91.5Very high4 Ų442.5 Ų42.53%0.02726%0.262CS..EExtended strand (participates in β ladder)trans-117138.7-172.1-52.30000110.4V320 H394 N417 A418V320-C414 HydrophobicContact CG1-CB 4.28Å; H394-C414 WeakPolarHBondContact CB-O 3.37Å; H394-C414 PolarHBondContact CD2-O 3.45Å; H394-C414 PolarHBondContact O-N 2.69Å; C414-N417 VanDerWaalsContact CB-O 3.24Å; C414-N417 WeakPolarHBondContact CB-O 3.45Å; C414-A418 HydrophobicContact CB-CB 4.34Å
415E89.8Confident92.3Very high91 Ų9136.1 Ų36.143%0.42522%0.221SC..SBendtrans-121.3132.6176.1-68.9-71.8170.400108.6R350 W413R350-E415 IonicContact CZ-OE1 2.97Å; R350-E415 IonicContact NH2-OE1 3.66Å; R350-E415 PolarHBondContact NH2-OE1 3.11Å; W413-E415 PolarHBondContact NE1-OE1 2.96Å
416P89.8Confident92.5Very high101 Ų10133.6 Ų33.666%0.65619%0.194SC*.SBendcis-79.2-12.60.833.3-36.7000114.4H394H394-P416 PolarHBondContact CD2-O 2.9Å; H394-P416 PolarHBondContact NE2-O 2.82Å; H394-P416 VanDerWaalsContact NE2-O 3.08Å
417N92.7Very high92.3Very high67 Ų6732.4 Ų32.436%0.35819%0.187SC..  trans-164.7177.1172.45953.5000110.1V393 C414 A419V393-N417 HydrophobicContact CB-CB 4.49Å; V393-N417 HydrophobicContact CG2-CB 4.44Å; C414-N417 VanDerWaalsContact CB-O 3.24Å; C414-N417 WeakPolarHBondContact CB-O 3.45Å; N417-A419 VanDerWaalsContact C-N 3.33Å; N417-A419 PolarHBondContact O-N 2.92Å; N417-A419 WeakPolarHBondContact OD1-CB 3.35Å; N417-A419 PolarHBondContact OD1-N 2.93Å
418A92.4Very high92Very high1 Ų131.7 Ų31.71%0.00819%0.186CC..SBendtrans-78.8-5.4-178.100000115.3V389 V393 F396 C414 S420 L421 S422V389-A418 HydrophobicContact CG1-CB 4.01Å; V389-A418 HydrophobicContact CG2-CB 3.94Å; V393-A418 VanDerWaalsContact O-CB 3.26Å; V393-A418 WeakPolarHBondContact O-CB 3.48Å; V393-A418 PolarHBondContact O-N 2.71Å; F396-A418 HydrophobicContact CB-CB 3.84Å; C414-A418 HydrophobicContact CB-CB 4.34Å; A418-S420 PolarHBondContact O-N 2.89Å; A418-L421 PolarHBondContact O-N 3.07Å; A418-S422 VanDerWaalsContact O-CB 3.3Å; A418-S422 WeakPolarHBondContact O-CB 3.42Å; A418-S422 PolarHBondContact O-N 2.83Å; A418-S422 PolarHBondContact O-OG 3.33Å; A418-S422 VanDerWaalsContact O-OG 3.06Å
419A86Confident91.5Very high50 Ų5031.4 Ų31.441%0.41318%0.183SC..Hα-helixtrans-57.3-54.7-16800000111.9N417 L421 S422 E423N417-A419 VanDerWaalsContact C-N 3.33Å; N417-A419 PolarHBondContact O-N 2.92Å; N417-A419 WeakPolarHBondContact OD1-CB 3.35Å; N417-A419 PolarHBondContact OD1-N 2.93Å; A419-L421 PolarHBondContact O-N 2.83Å; A419-S422 PolarHBondContact O-N 2.99Å; A419-S422 PolarHBondContact O-OG 3.33Å; A419-E423 WeakPolarHBondContact O-CB 3.46Å; A419-E423 PolarHBondContact O-N 2.72Å
420S90.1Very high90.8Very high71 Ų7136 Ų3650%0.49721%0.206SC..Hα-helixtrans-63.2-40.3-175.6-50.10000113.3A418 A424A418-S420 PolarHBondContact O-N 2.89Å; S420-A424 WeakPolarHBondContact O-CB 3.36Å; S420-A424 PolarHBondContact O-N 3.41Å; S420-A424 VanDerWaalsContact O-N 3.11Å
421L93.3Very high90Very high4 Ų439.9 Ų39.92%0.02123%0.227CC..Hα-helixtrans-69.3-45177.6177.160000111F318 V320 V358 V360 F396 A418 A419 E423 A424 V425F318-L421 HydrophobicContact CB-CD1 4.13Å; F318-L421 HydrophobicContact CD1-CB 4.45Å; F318-L421 HydrophobicContact CD2-CD1 3.63Å; F318-L421 HydrophobicContact CE2-CD1 4.26Å; F318-L421 HydrophobicContact CG-CB 4.31Å; F318-L421 HydrophobicContact CG-CD1 3.93Å; V320-L421 HydrophobicContact CG1-CD2 3.85Å; V358-L421 HydrophobicContact CB-CD1 4.04Å; V358-L421 HydrophobicContact CG1-CD1 3.85Å; V358-L421 HydrophobicContact CG2-CD2 4.45Å; V360-L421 HydrophobicContact CG2-CD1 3.98Å; F396-L421 HydrophobicContact CD1-CD2 3.6Å; F396-L421 HydrophobicContact CD1-CG 3.84Å; F396-L421 HydrophobicContact CE1-CD2 4.11Å; F396-L421 HydrophobicContact CE1-CG 3.97Å; F396-L421 HydrophobicContact CG-CD2 4.42Å; A418-L421 PolarHBondContact O-N 3.07Å; A419-L421 PolarHBondContact O-N 2.83Å; L421-E423 VanDerWaalsContact C-N 3.34Å; L421-E423 PolarHBondContact O-N 3.06Å; L421-A424 PolarHBondContact O-N 3.48Å; L421-V425 HydrophobicContact CD1-CG2 3.98Å; L421-V425 HydrophobicContact CG-CG2 4.47Å; L421-V425 WeakPolarHBondContact O-CG2 3.36Å; L421-V425 PolarHBondContact O-N 3.14Å
422S92.3Very high89Confident8 Ų843.1 Ų43.16%0.05624%0.239CC..Hα-helixtrans-61.7-42.418069.30000112F396 A418 A419 V425 Q426F396-S422 VanDerWaalsContact CE2-CB 3.5Å; A418-S422 VanDerWaalsContact O-CB 3.3Å; A418-S422 WeakPolarHBondContact O-CB 3.42Å; A418-S422 PolarHBondContact O-N 2.83Å; A418-S422 PolarHBondContact O-OG 3.33Å; A418-S422 VanDerWaalsContact O-OG 3.06Å; A419-S422 PolarHBondContact O-N 2.99Å; A419-S422 PolarHBondContact O-OG 3.33Å; S422-V425 PolarHBondContact O-N 3.19Å; S422-Q426 VanDerWaalsContact O-CB 3.24Å; S422-Q426 WeakPolarHBondContact O-CB 3.32Å; S422-Q426 PolarHBondContact O-N 3.47Å
423E87.7Confident87.8Confident133 Ų13349 Ų4962%0.62126%0.262SS*.Hα-helixtrans-63.5-44.6176.7-174.9179.6-173.700111.6A419 L421 V425 Q426 A427A419-E423 WeakPolarHBondContact O-CB 3.46Å; A419-E423 PolarHBondContact O-N 2.72Å; L421-E423 VanDerWaalsContact C-N 3.34Å; L421-E423 PolarHBondContact O-N 3.06Å; E423-V425 PolarHBondContact O-N 3.47Å; E423-Q426 PolarHBondContact O-N 2.94Å; E423-A427 WeakPolarHBondContact O-CB 3.3Å; E423-A427 PolarHBondContact O-N 3.12Å
424A91.2Very high86.6Confident5 Ų552.5 Ų52.54%0.04128%0.279CS..Hα-helixtrans-64.4-42.7178.900000112.4F318 V360 S420 L421 A427 A428F318-A424 HydrophobicContact CE1-CB 4.43Å; F318-A424 HydrophobicContact CE2-CB 3.48Å; F318-A424 VanDerWaalsContact CE2-CB 3.48Å; F318-A424 HydrophobicContact CZ-CB 3.35Å; V360-A424 HydrophobicContact CB-CB 4.5Å; V360-A424 HydrophobicContact CG1-CB 4.25Å; V360-A424 HydrophobicContact CG2-CB 4.35Å; S420-A424 WeakPolarHBondContact O-CB 3.36Å; S420-A424 PolarHBondContact O-N 3.41Å; S420-A424 VanDerWaalsContact O-N 3.11Å; L421-A424 PolarHBondContact O-N 3.48Å; A424-A427 PolarHBondContact O-N 3.46Å; A424-A428 PolarHBondContact O-N 3.22Å
425V94.1Very high85.5Confident0 Ų058.9 Ų58.90%031%0.306CS..Hα-helixtrans-67-39.9176.71770000110.7V360 L365 L384 L387 F396 L421 S422 E423 A428 C429V360-V425 HydrophobicContact CG2-CG2 4.02Å; L365-V425 HydrophobicContact CD1-CG1 3.81Å; L365-V425 HydrophobicContact CD1-CG2 4.05Å; L365-V425 HydrophobicContact CD2-CG2 4.14Å; L384-V425 HydrophobicContact CD2-CG1 3.84Å; L387-V425 HydrophobicContact CD2-CG1 4.22Å; F396-V425 HydrophobicContact CE1-CG2 4.11Å; F396-V425 HydrophobicContact CZ-CB 4.1Å; F396-V425 HydrophobicContact CZ-CG1 4.31Å; F396-V425 HydrophobicContact CZ-CG2 4.2Å; L421-V425 HydrophobicContact CD1-CG2 3.98Å; L421-V425 HydrophobicContact CG-CG2 4.47Å; L421-V425 WeakPolarHBondContact O-CG2 3.36Å; L421-V425 PolarHBondContact O-N 3.14Å; S422-V425 PolarHBondContact O-N 3.19Å; E423-V425 PolarHBondContact O-N 3.47Å; V425-A428 PolarHBondContact O-N 3.18Å; V425-C429 PolarHBondContact O-N 2.9Å; V425-C429 PolarHBondContact O-SG 2.93Å
426Q86.3Confident84.6Confident38 Ų3857.8 Ų57.818%0.17831%0.308CS..Hα-helixtrans-61-48174.4-179.8177.7-22.200111.4I10 S422 E423 A428 C429 M430I10-Q426 HydrophobicContact CD1-CG 3.88Å; S422-Q426 VanDerWaalsContact O-CB 3.24Å; S422-Q426 WeakPolarHBondContact O-CB 3.32Å; S422-Q426 PolarHBondContact O-N 3.47Å; E423-Q426 PolarHBondContact O-N 2.94Å; Q426-A428 VanDerWaalsContact C-N 3.32Å; Q426-A428 PolarHBondContact O-N 3.41Å; Q426-C429 WeakPolarHBondContact O-CB 3.27Å; Q426-C429 PolarHBondContact O-N 3.5Å; Q426-C429 VanDerWaalsContact O-N 3.11Å; Q426-M430 HydrophobicContact CG-CE 4.22Å; Q426-M430 HydrophobicContact CG-SD 4.44Å; Q426-M430 WeakPolarHBondContact O-CG 3.5Å; Q426-M430 PolarHBondContact O-N 2.84Å
427A85.4Confident83.4Confident34 Ų3455.7 Ų55.728%0.28129%0.291SS..Hα-helixtrans-58.9-42.2177.200000111.9E423 A424 C429 M430 L431E423-A427 WeakPolarHBondContact O-CB 3.3Å; E423-A427 PolarHBondContact O-N 3.12Å; A424-A427 PolarHBondContact O-N 3.46Å; A427-C429 VanDerWaalsContact C-N 3.33Å; A427-C429 PolarHBondContact O-N 2.87Å; A427-M430 PolarHBondContact O-N 2.57Å; A427-L431 WeakPolarHBondContact O-CB 3.28Å; A427-L431 WeakPolarHBondContact O-CG 3.4Å; A427-L431 PolarHBondContact O-N 2.95Å
428A86.8Confident82.1Confident6 Ų655.9 Ų55.95%0.0529%0.292CS..Hα-helixtrans-60.6-42174.900000112.1V360 V381 A424 V425 Q426 R432V360-A428 HydrophobicContact CG1-CB 4.02Å; V381-A428 HydrophobicContact CG2-CB 4.32Å; A424-A428 PolarHBondContact O-N 3.22Å; V425-A428 PolarHBondContact O-N 3.18Å; Q426-A428 VanDerWaalsContact C-N 3.32Å; Q426-A428 PolarHBondContact O-N 3.41Å; A428-R432 WeakPolarHBondContact O-CB 3.41Å; A428-R432 PolarHBondContact O-N 2.76Å; A428-R432 VanDerWaalsContact O-N 3.15Å
429C84.9Confident80.4Confident10 Ų1058.6 Ų58.67%0.06831%0.314CS..Hα-helixtrans-64.3-45175.7-63.50000112.2L8 V381 V425 Q426 A427 R432 Y433L8-C429 HydrophobicContact CD2-CB 3.68Å; V381-C429 HydrophobicContact CG1-CB 4.32Å; V425-C429 PolarHBondContact O-N 2.9Å; V425-C429 PolarHBondContact O-SG 2.93Å; Q426-C429 WeakPolarHBondContact O-CB 3.27Å; Q426-C429 PolarHBondContact O-N 3.5Å; Q426-C429 VanDerWaalsContact O-N 3.11Å; A427-C429 VanDerWaalsContact C-N 3.33Å; A427-C429 PolarHBondContact O-N 2.87Å; C429-R432 WeakPolarHBondContact O-CB 3.13Å; C429-R432 PolarHBondContact O-N 2.77Å; C429-Y433 PolarHBondContact O-N 3.46Å
430M81.4Confident78.8Confident96 Ų9663.9 Ų63.947%0.47332%0.324SS..Hα-helixtrans-63-46.1178.8-69.7-169.9-60.600112.1Q426 A427 R432 Y433 Q434Q426-M430 HydrophobicContact CG-CE 4.22Å; Q426-M430 HydrophobicContact CG-SD 4.44Å; Q426-M430 WeakPolarHBondContact O-CG 3.5Å; Q426-M430 PolarHBondContact O-N 2.84Å; A427-M430 PolarHBondContact O-N 2.57Å; M430-R432 PolarHBondContact O-N 3.25Å; M430-Y433 PolarHBondContact O-N 3.39Å; M430-Y433 VanDerWaalsContact O-N 3.16Å; M430-Q434 PolarHBondContact O-N 3.09Å
431L80.4Confident76.6Confident98 Ų9863.3 Ų63.351%0.51332%0.32SS..Hα-helixtrans-59.9-37.4176.7-75.1173.1000112A427 K435A427-L431 WeakPolarHBondContact O-CB 3.28Å; A427-L431 WeakPolarHBondContact O-CG 3.4Å; A427-L431 PolarHBondContact O-N 2.95Å; L431-K435 WeakPolarHBondContact O-CG 3.34Å; L431-K435 PolarHBondContact O-N 3.28Å; L431-K435 VanDerWaalsContact O-N 3.11Å
432R76.4Confident74.2Confident68 Ų6870.1 Ų70.126%0.25735%0.352SS..Hα-helixtrans-67.1-45.1175.9-174.6177.6-171.193.113.4111.6V381 R382 A428 C429 M430 K435 C436V381-R432 HydrophobicContact CG1-CB 4.1Å; R382-R432 VanDerWaalsContact CB-NE 3.33Å; A428-R432 WeakPolarHBondContact O-CB 3.41Å; A428-R432 PolarHBondContact O-N 2.76Å; A428-R432 VanDerWaalsContact O-N 3.15Å; C429-R432 WeakPolarHBondContact O-CB 3.13Å; C429-R432 PolarHBondContact O-N 2.77Å; M430-R432 PolarHBondContact O-N 3.25Å; R432-K435 PolarHBondContact O-N 3.3Å; R432-C436 PolarHBondContact O-N 3.35Å; R432-C436 VanDerWaalsContact O-N 3.13Å; R432-C436 PolarHBondContact O-SG 2.8Å
433Y72.8Confident71.7Confident124 Ų12474.3 Ų74.349%0.48638%0.377SS..Hα-helixtrans-60-46.4176.9177.7-108.1000111.4C429 M430 K435 C436 L437C429-Y433 PolarHBondContact O-N 3.46Å; M430-Y433 PolarHBondContact O-N 3.39Å; M430-Y433 VanDerWaalsContact O-N 3.16Å; Y433-K435 VanDerWaalsContact C-N 3.35Å; Y433-K435 PolarHBondContact O-N 2.87Å; Y433-C436 WeakPolarHBondContact O-CB 3.49Å; Y433-C436 PolarHBondContact O-N 3.18Å; Y433-L437 HydrophobicContact CD1-CD1 3.94Å; Y433-L437 HydrophobicContact CD1-CG 4.37Å; Y433-L437 HydrophobicContact CE1-CD1 3.32Å; Y433-L437 HydrophobicContact CE1-CG 3.96Å; Y433-L437 HydrophobicContact CE2-CD1 4.48Å; Y433-L437 HydrophobicContact CE2-CD2 4.3Å; Y433-L437 HydrophobicContact CE2-CG 4.3Å; Y433-L437 PolarHBondContact O-N 2.87Å
434Q71.3Confident69.6Low93 Ų9372.7 Ų72.744%0.43538%0.38SS..Hα-helixtrans-57-47.1176.5-172.560.148.200111.6M430 C436 L437 D438M430-Q434 PolarHBondContact O-N 3.09Å; Q434-C436 VanDerWaalsContact C-N 3.25Å; Q434-C436 PolarHBondContact O-N 2.84Å; Q434-L437 PolarHBondContact O-N 3.09Å; Q434-L437 VanDerWaalsContact O-N 3.08Å; Q434-D438 PolarHBondContact NE2-OD1 3.16Å; Q434-D438 VanDerWaalsContact O-CG 3.24Å; Q434-D438 PolarHBondContact O-N 3.04Å
435K71.2Confident67.3Low138 Ų13878.1 Ų78.160%0.641%0.413SS*.Hα-helixtrans-58.9-34.6176.1-75.5176.7178.4178.90113.1L431 R432 Y433 A439L431-K435 WeakPolarHBondContact O-CG 3.34Å; L431-K435 PolarHBondContact O-N 3.28Å; L431-K435 VanDerWaalsContact O-N 3.11Å; R432-K435 PolarHBondContact O-N 3.3Å; Y433-K435 VanDerWaalsContact C-N 3.35Å; Y433-K435 PolarHBondContact O-N 2.87Å; K435-A439 WeakPolarHBondContact O-CB 3.42Å; K435-A439 PolarHBondContact O-N 2.97Å; K435-A439 VanDerWaalsContact O-N 3.13Å
436C69.4Low64.4Low68 Ų6881.2 Ų81.246%0.45944%0.435SS..Hα-helixtrans-71.5-38.1175.4-71.80000112.4R432 Y433 Q434 R440R432-C436 PolarHBondContact O-N 3.35Å; R432-C436 VanDerWaalsContact O-N 3.13Å; R432-C436 PolarHBondContact O-SG 2.8Å; Y433-C436 WeakPolarHBondContact O-CB 3.49Å; Y433-C436 PolarHBondContact O-N 3.18Å; Q434-C436 VanDerWaalsContact C-N 3.25Å; Q434-C436 PolarHBondContact O-N 2.84Å; C436-R440 WeakPolarHBondContact O-CG 3.4Å; C436-R440 PolarHBondContact O-N 3.44Å
437L66.3Low62Low57 Ų5785.3 Ų85.330%0.29847%0.466SS..Hα-helixtrans-66.1-44.7174.1-69.3-176.8000111.8Y433 Q434 A439 R440 S441Y433-L437 HydrophobicContact CD1-CD1 3.94Å; Y433-L437 HydrophobicContact CD1-CG 4.37Å; Y433-L437 HydrophobicContact CE1-CD1 3.32Å; Y433-L437 HydrophobicContact CE1-CG 3.96Å; Y433-L437 HydrophobicContact CE2-CD1 4.48Å; Y433-L437 HydrophobicContact CE2-CD2 4.3Å; Y433-L437 HydrophobicContact CE2-CG 4.3Å; Y433-L437 PolarHBondContact O-N 2.87Å; Q434-L437 PolarHBondContact O-N 3.09Å; Q434-L437 VanDerWaalsContact O-N 3.08Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 3.06Å; L437-R440 CarbonylContact O-C 3.58Å; L437-R440 WeakPolarHBondContact O-CA 3.29Å; L437-R440 WeakPolarHBondContact O-CB 3.39Å; L437-R440 PolarHBondContact O-N 2.76Å; L437-S441 PolarHBondContact O-N 2.71Å
438D64.8Low59.5Low72 Ų7291.2 Ų91.239%0.38549%0.492SS..Hα-helixtrans-63.7-38179.2-64.3-22.7000111.8Q434 R440 S441 Q442Q434-D438 PolarHBondContact NE2-OD1 3.16Å; Q434-D438 VanDerWaalsContact O-CG 3.24Å; Q434-D438 PolarHBondContact O-N 3.04Å; D438-R440 VanDerWaalsContact C-N 3.3Å; D438-R440 PolarHBondContact O-N 2.84Å; D438-S441 WeakPolarHBondContact CA-OG 3.5Å; D438-S441 PolarHBondContact O-N 3.16Å; D438-S441 PolarHBondContact O-OG 3.17Å; D438-Q442 WeakPolarHBondContact O-CG 3.49Å; D438-Q442 PolarHBondContact O-N 3.35Å; D438-Q442 VanDerWaalsContact O-N 3.13Å
439A57Low57Low57 Ų5796.5 Ų96.547%0.47153%0.526SS..Hα-helixtrans-66.3-31.9173.500000112.7K435 L437 T443K435-A439 WeakPolarHBondContact O-CB 3.42Å; K435-A439 PolarHBondContact O-N 2.97Å; K435-A439 VanDerWaalsContact O-N 3.13Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 3.06Å; A439-T443 PolarHBondContact O-N 2.9Å; A439-T443 PolarHBondContact O-OG1 2.61Å
440R52.3Low54.6Low161 Ų161100.4 Ų100.461%0.60856%0.559SS**Hα-helixtrans-77.2-34175.7-79.5174.566.1-174.9-1.7112.8C436 L437 D438 T443 S444C436-R440 WeakPolarHBondContact O-CG 3.4Å; C436-R440 PolarHBondContact O-N 3.44Å; L437-R440 CarbonylContact O-C 3.58Å; L437-R440 WeakPolarHBondContact O-CA 3.29Å; L437-R440 WeakPolarHBondContact O-CB 3.39Å; L437-R440 PolarHBondContact O-N 2.76Å; D438-R440 VanDerWaalsContact C-N 3.3Å; D438-R440 PolarHBondContact O-N 2.84Å; R440-T443 VanDerWaalsContact CA-OG1 3.32Å; R440-T443 WeakPolarHBondContact CA-OG1 3.49Å; R440-T443 PolarHBondContact O-N 2.76Å; R440-T443 PolarHBondContact O-OG1 2.86Å; R440-S444 PolarHBondContact O-N 2.74Å
441S43.7Very low52.6Low60 Ų60101.2 Ų101.242%0.4257%0.571SS.*Hα-helixtrans-68.7-39175.667.30000111.1L437 D438 T443 S444 T445L437-S441 PolarHBondContact O-N 2.71Å; D438-S441 WeakPolarHBondContact CA-OG 3.5Å; D438-S441 PolarHBondContact O-N 3.16Å; D438-S441 PolarHBondContact O-OG 3.17Å; S441-T443 VanDerWaalsContact C-N 3.27Å; S441-T443 PolarHBondContact O-N 2.98Å; S441-S444 PolarHBondContact O-N 3.39Å; S441-S444 VanDerWaalsContact O-N 3.12Å; S441-S444 PolarHBondContact O-OG 2.75Å; S441-T445 PolarHBondContact O-OG1 2.95Å
442Q41.7Very low50.3Low147 Ų147102.5 Ų102.569%0.68759%0.586SS**Hα-helixtrans-64.9-26.4174.2-72.1-170.4200114.2D438D438-Q442 WeakPolarHBondContact O-CG 3.49Å; D438-Q442 PolarHBondContact O-N 3.35Å; D438-Q442 VanDerWaalsContact O-N 3.13Å
443T40.8Very low48.4Very low96 Ų96104 Ų10459%0.58961%0.612SS**Hα-helixtrans-84-12.4175.438.60000113.3A439 R440 S441A439-T443 PolarHBondContact O-N 2.9Å; A439-T443 PolarHBondContact O-OG1 2.61Å; R440-T443 VanDerWaalsContact CA-OG1 3.32Å; R440-T443 WeakPolarHBondContact CA-OG1 3.49Å; R440-T443 PolarHBondContact O-N 2.76Å; R440-T443 PolarHBondContact O-OG1 2.86Å; S441-T443 VanDerWaalsContact C-N 3.27Å; S441-T443 PolarHBondContact O-N 2.98Å
444S43.7Very low46.6Very low98 Ų98107 Ų10769%0.68563%0.631SS**Hα-helixtrans-86.9-12.4175.968.30000114.5R440 S441R440-S444 PolarHBondContact O-N 2.74Å; S441-S444 PolarHBondContact O-N 3.39Å; S441-S444 VanDerWaalsContact O-N 3.12Å; S441-S444 PolarHBondContact O-OG 2.75Å
445T41.6Very low44.6Very low119 Ų119107.8 Ų107.873%0.7365%0.647SS**SBendtrans-112.92.9176.7330000114.5S441S441-T445 PolarHBondContact O-OG1 2.95Å
446S33.9Very low42.9Very low66 Ų66108.4 Ų108.446%0.46266%0.662SS.*SBendtrans-96.9114.317367.30000111.1L448S446-L448 PolarHBondContact O-N 3.2Å; S446-L448 VanDerWaalsContact O-N 3.15Å
447C36.4Very low41.1Very low123 Ų123110 Ų11083%0.83168%0.68SS**  trans-42.8115.2168.5-30.80000110.4
448L32.4Very low39.8Very low158 Ų158118.6 Ų118.683%0.82771%0.708SS**PPolyproline II helixtrans-63.7133.2167.5-65.5173.8000108.7S446 A450S446-L448 PolarHBondContact O-N 3.2Å; S446-L448 VanDerWaalsContact O-N 3.15Å; L448-A450 PolarHBondContact O-N 3.37Å
449P34.9Very low38.4Very low118 Ų118126.3 Ų126.377%0.76673%0.732SS**PPolyproline II helixtrans-60.9133.7158.8-12.426.4000108.1
450A34Very low37.4Very low91 Ų91130.8 Ų130.875%0.75275%0.753SS**PPolyproline II helixtrans-53.4137.9172.900000110.1L448L448-A450 PolarHBondContact O-N 3.37Å
451P39.3Very low36.4Very low114 Ų114126.4 Ų126.474%0.7476%0.758SS**PPolyproline II helixtrans-63.8147.5172.427.1-32000109.7A453P451-A453 PolarHBondContact O-N 3.42Å
452P33.2Very low35.6Very low125 Ų125134.5 Ų134.581%0.81278%0.779SS**PPolyproline II helixtrans-61.3136.5178.325.5-31.1000109.8E454P452-E454 PolarHBondContact O-N 3.46Å
453A36.7Very low35.2Very low98 Ų98133.7 Ų133.781%0.8179%0.785SS**  trans-69.4110.2178.300000109.8P451P451-A453 PolarHBondContact O-N 3.42Å
454E33.4Very low34.7Very low187 Ų187135.1 Ų135.187%0.87479%0.793SS**  trans-169.1145.8141.5-108172.6-162.500111.4P452P452-E454 PolarHBondContact O-N 3.46Å
455S29.7Very low34.2Very low111 Ų111141.4 Ų141.478%0.77680%0.802SS**  trans88.275169.6-56.10000119
456V36.6Very low33.8Very low151 Ų151147.8 Ų147.892%0.91581%0.812SS**  trans29.893130.8-164.40000118.5
457A31.1Very low33.5Very low101 Ų101148.1 Ų148.184%0.83583%0.827SS**  trans-162106.5137.800000109.8
458R38.9Very low33.3Very low237 Ų237149.3 Ų149.389%0.89483%0.83SS**  trans-102.5156.9174.4-94.4-168-177.9112.6-2.1111
459R36Very low33.3Very low235 Ų235150.6 Ų150.689%0.88783%0.831SS**  trans94.6109.3148.7-137.3-179-62.1-135.34.2112.5
460V35.3Very low33.3Very low150 Ų150150.4 Ų150.491%0.90983%0.833SS**  -147.513968.9-177.50000107.5
461G30.6Very low33.3Very low69 Ų69153.8 Ų153.871%0.71184%0.837SS**  cis1509218.500000105.3
462W27.9Very low33Very low231 Ų231160.6 Ų160.688%0.87585%0.848SS**  trans-80.3120.6-175.3-178.3-48.7000110.8
463T31.8Very low32.8Very low130 Ų130158.3 Ų158.380%0.79885%0.848SS**  trans-144.9109.916040.40000104.6
464V31Very low32.6Very low126 Ų126158.9 Ų158.976%0.76485%0.846SS**  -167.4118.587.1161.40000107.2
465R32.8Very low32.5Very low230 Ų230157.9 Ų157.987%0.86885%0.846SS**  trans-155135.4147.3-83-155176.7-169.7-3110.3
466R34.6Very low32.7Very low252 Ų252161.7 Ų161.795%0.95185%0.848SS**  trans79.8105.4164.4-73.1-175.3-179.2-175.60.6118.6
467G28.1Very low32.8Very low74 Ų74160.4 Ų160.476%0.76384%0.843SS**  trans-151.6104.5144.700000108.7
468V30.9Very low32.7Very low148 Ų148163.5 Ų163.590%0.89784%0.837SS**  trans-175.193.1141.9167.60000105.6
469Q33.3Very low32.5Very low184 Ų184162 Ų16286%0.8683%0.832SS**  trans-147.8128.6149.4-103.1-178.8-2.600107.7
470S35Very low32.2Very low115 Ų115158 Ų15880%0.80483%0.828SS**  trans64.4103158.357.10000120.4
471L32.3Very low31.9Very low161 Ų161154.8 Ų154.884%0.84382%0.824SS**  trans-37.8130.8140.2-75.7141.1000113.7
472W34.7Very low32.1Very low257 Ų257156.5 Ų156.597%0.97383%0.825SS**  172.7143.7123.6-97.62.9000112
473G29.4Very low32.5Very low77 Ų77153.6 Ų153.679%0.79482%0.821SS**  trans109.881.2151.900000117.2
474S30.6Very low32.6Very low111 Ų111153 Ų15378%0.77682%0.818SS**  trans-54.8142.5156.6179.30000111.6
475L32Very low33.6Very low165 Ų165156.3 Ų156.386%0.86484%0.842SS**  172.2114.7127-87.3161.6000110.9
476K35Very low33.6Very low192 Ų192152.7 Ų152.784%0.83584%0.841SS**  trans-85155157.2-71-177.8174.7175.60108.5
477P38.2Very low33.6Very low123 Ų123147.4 Ų147.480%0.79984%0.835SS**  -142.7137.587.824.6-2.7000113.3
478K28.8Very low33.9Very low166 Ų166151.5 Ų151.572%0.72284%0.839SS**  86.5119.878-123.8-161.4-176.2168.40115
479R33.7Very low34.1Very low206 Ų206151.7 Ų151.778%0.77784%0.836SS**  trans74.6151.7149.7-66.7-172.9175.7-172.42.8117.8
480L29.6Very low34.1Very low152 Ų152149.7 Ų149.780%0.79683%0.834SS**  cis-161.9156.8-4.9-14480.9000106.2
481G30.7Very low34.1Very low82 Ų82152 Ų15285%0.84584%0.836SS**  trans167.479.3164.300000114.2
482S34.5Very low34.2Very low104 Ų104151.4 Ų151.473%0.72784%0.836SS**  trans-103.3151.1168.5540000110.4
483Q35.8Very low34.1Very low170 Ų170143.2 Ų143.279%0.79483%0.825SS**  trans13998.5146.3-77.2-1387.500111.3
484T33.2Very low34.5Very low117 Ų117148.8 Ų148.872%0.71883%0.828SS**  97.8159.88236.30000110.9
485P52.6Low34.9Very low197 Ų197152.2 Ų152.2100%1.27983%0.832SS**  cis-103.1015.125.3-6.6000116.9

Retrieved 485 of 485 residues in 204.9 ms (Link to these results)