A0A077Z535_TRITR Loading...

Small ribosomal subunit protein uS17

AlphaFold DB , UniProt , Accession A0A077Z535, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 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
1M41Very low62.3Low222 Ų222127.4 Ų127.4100%1.09467%0.666SS**  0136.60-63.2-154.6-160.400109A3M1-A3 PolarHBondContact O-N 3.25Å
2S43.1Very low64.4Low111 Ų111121.7 Ų121.778%0.77665%0.652SS**  trans-57.1124.1166.938.90000107.5T4S2-T4 PolarHBondContact O-N 3.38Å
3A52.2Low66.2Low60 Ų60124.4 Ų124.450%0.49665%0.654SS.*  trans-54.5111168.500000106.4M1 L5 N121M1-A3 PolarHBondContact O-N 3.25Å; A3-L5 PolarHBondContact O-N 3.32Å; A3-N121 HydrophobicContact CB-CB 3.93Å
4T55.3Low67.7Low125 Ų125118.6 Ų118.677%0.76762%0.622SS**  trans-51.4117.5177.247.10000106.5S2S2-T4 PolarHBondContact O-N 3.38Å
5L57.5Low69.1Low104 Ų104118.2 Ų118.255%0.54561%0.613SS.*  trans-50.4134.9172.2-80.2159000106.9A3 E7A3-L5 PolarHBondContact O-N 3.32Å; L5-E7 PolarHBondContact O-N 3.48Å
6P62.8Low70.3Confident49 Ų49112.1 Ų112.132%0.31858%0.581SS.*  trans-57.3111.6-178.725.7-36.9000108.3Q8 Y58 P118P6-Q8 PolarHBondContact O-N 3.02Å; P6-Y58 HydrophobicContact CG-CD1 4.43Å; P6-Y58 HydrophobicContact CG-CG 4.32Å; P6-P118 HydrophobicContact CB-CB 4.45Å; P6-P118 HydrophobicContact CG-CB 3.87Å
7E64.1Low71.2Confident171 Ų171119.2 Ų119.280%0.79960%0.599SS**  trans-62.4135.1175.1-168.6173.7-175.200108L5 T9L5-E7 PolarHBondContact O-N 3.48Å; E7-T9 PolarHBondContact O-N 3.19Å
8Q70.1Confident72Confident103 Ų103119.6 Ų119.648%0.48160%0.603SS.*  trans-72.398.1177.8-178.1174.2-36.700108.4P6 E10 A12 Q14P6-Q8 PolarHBondContact O-N 3.02Å; Q8-E10 VanDerWaalsContact C-N 3.28Å; Q8-E10 PolarHBondContact O-N 2.8Å; Q8-A12 PolarHBondContact NE2-O 2.68Å; Q8-Q14 HydrophobicContact CG-CG 4.41Å; Q8-Q14 VanDerWaalsContact NE2-CG 3.3Å
9T75.7Confident72.7Confident109 Ų109114.2 Ų114.267%0.66958%0.577SS**  trans-73.5-19.8-179.6530000113.6E7E7-T9 PolarHBondContact O-N 3.19Å
10E80.8Confident73.4Confident86 Ų86115.8 Ų115.840%0.40258%0.58SS.*  trans-83128.3-176.7-64.1176-153.500111.1Q8 A12 Q14Q8-E10 VanDerWaalsContact C-N 3.28Å; Q8-E10 PolarHBondContact O-N 2.8Å; E10-A12 PolarHBondContact O-N 2.73Å; E10-Q14 PolarHBondContact OE2-NE2 3.11Å
11R83.3Confident73.9Confident261 Ų261113.6 Ų113.699%0.98557%0.57SS**SBendtrans-64.2-20176.8-65.9-176.5177.9176.3-1113.7
12A86.9Confident75.9Confident59 Ų59109 Ų10949%0.48855%0.549SS..SBendtrans-72.8144.7-179.200000111.5Q8 E10 Q14Q8-A12 PolarHBondContact NE2-O 2.68Å; E10-A12 PolarHBondContact O-N 2.73Å; A12-Q14 PolarHBondContact O-N 3.32Å
13F88.1Confident77.7Confident157 Ų157106.6 Ų106.669%0.68952%0.523SS*.PPolyproline II helixtrans-63.4118.9171.3178-105.6000110.6K15 L21F13-K15 HydrophobicContact CE1-CB 4.05Å; F13-K15 HydrophobicContact CE1-CD 4.05Å; F13-K15 HydrophobicContact CE1-CG 4.13Å; F13-K15 HydrophobicContact CZ-CB 4.46Å; F13-L21 HydrophobicContact CE1-CD1 4.19Å; F13-L21 HydrophobicContact CE2-CD1 4.45Å; F13-L21 HydrophobicContact CZ-CD1 3.51Å
14Q87.3Confident79Confident43 Ų43112.3 Ų112.320%0.20154%0.537CS..PPolyproline II helixtrans-102.3134179.3-69-69.8-9.900109.9Q8 E10 A12 I59Q8-Q14 HydrophobicContact CG-CG 4.41Å; Q8-Q14 VanDerWaalsContact NE2-CG 3.3Å; E10-Q14 PolarHBondContact OE2-NE2 3.11Å; A12-Q14 PolarHBondContact O-N 3.32Å; Q14-I59 HydrophobicContact CB-CB 4.13Å; Q14-I59 HydrophobicContact CB-CD1 3.43Å; Q14-I59 VanDerWaalsContact CB-CD1 3.43Å; Q14-I59 HydrophobicContact CB-CG1 4.36Å; Q14-I59 HydrophobicContact CB-CG2 4.3Å; Q14-I59 WeakPolarHBondContact O-CD1 3.39Å
15K88.3Confident80.3Confident113 Ų113109.3 Ų109.349%0.49152%0.518SS..  trans-141.1152.316764.5172.7174.5-174.40111.8F13 R17 L21F13-K15 HydrophobicContact CE1-CB 4.05Å; F13-K15 HydrophobicContact CE1-CD 4.05Å; F13-K15 HydrophobicContact CE1-CG 4.13Å; F13-K15 HydrophobicContact CZ-CB 4.46Å; K15-R17 PolarHBondContact O-N 2.9Å; K15-L21 HydrophobicContact CB-CD1 3.88Å; K15-L21 HydrophobicContact CD-CD1 4.49Å
16Q88.8Confident81.2Confident21 Ų21111.4 Ų111.410%0.09853%0.529CS..  trans-67.2126162.8-69.8-179.5-61.800108.5N18 V19 L39 T66Q16-N18 PolarHBondContact O-N 2.91Å; Q16-N18 VanDerWaalsContact O-N 3.12Å; Q16-V19 HydrophobicContact CB-CB 3.97Å; Q16-V19 HydrophobicContact CB-CG2 3.64Å; Q16-V19 HydrophobicContact CG-CG2 4.44Å; Q16-V19 PolarHBondContact O-N 2.93Å; Q16-L39 PolarHBondContact NE2-O 2.84Å; Q16-T66 PolarHBondContact NE2-O 2.88Å
17R85Confident82Confident233 Ų233111.2 Ų111.288%0.87954%0.537SS*.THydrogen-bonded Turntrans-54.5-36.1-174.3-177.2177.1175.7176-1.5113.1K15K15-R17 PolarHBondContact O-N 2.9Å
18N85.1Confident82.9Confident125 Ų125110.5 Ų110.567%0.66854%0.543SS*.THydrogen-bonded Turntrans-93.33.8-175.5-64.348.8000113Q16 L39Q16-N18 PolarHBondContact O-N 2.91Å; Q16-N18 VanDerWaalsContact O-N 3.12Å; N18-L39 HydrophobicContact CB-CD2 3.94Å
19V86.4Confident83.4Confident18 Ų18109.4 Ų109.411%0.10956%0.56CS.*  trans-103.2118.5176.1175.30000109.1Q16 L21 L37 L39Q16-V19 HydrophobicContact CB-CB 3.97Å; Q16-V19 HydrophobicContact CB-CG2 3.64Å; Q16-V19 HydrophobicContact CG-CG2 4.44Å; Q16-V19 PolarHBondContact O-N 2.93Å; V19-L21 HydrophobicContact CG1-CD2 4.03Å; V19-L37 HydrophobicContact CG1-CB 4.46Å; V19-L37 HydrophobicContact CG1-CD2 4.37Å; V19-L37 WeakPolarHBondContact CG1-O 3.34Å; V19-L39 HydrophobicContact CG2-CB 3.82Å
20F86.1Confident83.6Confident145 Ų145111 Ų11164%0.63656%0.558SS**  trans-84.1114.6171.6-173-113.1000110.6N22 L37F20-N22 HydrophobicContact CE1-CB 4.09Å; F20-N22 WeakPolarHBondContact CE1-O 3.38Å; F20-N22 HydrophobicContact CE2-CB 4.2Å; F20-N22 HydrophobicContact CZ-CB 3.73Å; F20-N22 WeakPolarHBondContact CZ-O 3.29Å; F20-L37 WeakPolarHBondContact O-CD2 3.32Å
21L84.5Confident83.5Confident71 Ų71116.1 Ų116.137%0.37258%0.578SS.*  trans-83.4-28.4-176.9-64.5174.1000113.2F13 K15 V19 R23 L37F13-L21 HydrophobicContact CE1-CD1 4.19Å; F13-L21 HydrophobicContact CE2-CD1 4.45Å; F13-L21 HydrophobicContact CZ-CD1 3.51Å; K15-L21 HydrophobicContact CB-CD1 3.88Å; K15-L21 HydrophobicContact CD-CD1 4.49Å; V19-L21 HydrophobicContact CG1-CD2 4.03Å; L21-R23 PolarHBondContact O-N 2.86Å; L21-L37 HydrophobicContact CD2-CD2 4.35Å
22N83.7Confident83.1Confident124 Ų124110.2 Ų110.266%0.66356%0.56SS**  trans-87.252.3-173.4-67.2-1.3000112.4F20 K24F20-N22 HydrophobicContact CE1-CB 4.09Å; F20-N22 WeakPolarHBondContact CE1-O 3.38Å; F20-N22 HydrophobicContact CE2-CB 4.2Å; F20-N22 HydrophobicContact CZ-CB 3.73Å; F20-N22 WeakPolarHBondContact CZ-O 3.29Å; N22-K24 PolarHBondContact O-N 2.98Å; N22-K24 VanDerWaalsContact O-N 3.1Å
23R79.4Confident82.6Confident61 Ų61110.7 Ų110.723%0.2356%0.56CS.*  trans-63.6114.8178.4-66.6-171.3-170.6162.48.5110.6L21 S33 K35 P36 L37L21-R23 PolarHBondContact O-N 2.86Å; R23-S33 WeakPolarHBondContact CD-OG 3.33Å; R23-S33 PolarHBondContact NH1-O 2.78Å; R23-S33 PolarHBondContact NH1-OG 2.91Å; R23-S33 VanDerWaalsContact NH1-OG 3.08Å; R23-K35 PolarHBondContact NH1-O 3.18Å; R23-P36 PolarHBondContact NH2-O 2.84Å; R23-P36 VanDerWaalsContact NH2-O 3.07Å; R23-L37 HydrophobicContact CG-CD2 4.3Å
24K80.4Confident82Confident181 Ų181113 Ų11379%0.78757%0.569SS**  trans-75.6148.7172.8-64.3-175.7178.8-177.60110N22N22-K24 PolarHBondContact O-N 2.98Å; N22-K24 VanDerWaalsContact O-N 3.1Å
25V81.5Confident81.5Confident62 Ų62118.6 Ų118.638%0.37659%0.593SS.*  trans-71.9126.6166.9-1800000107.4G27 K30 K32V25-G27 VanDerWaalsContact C-N 3.29Å; V25-G27 WeakPolarHBondContact CG1-O 3.44Å; V25-G27 PolarHBondContact O-N 2.89Å; V25-K30 HydrophobicContact CG1-CB 3.98Å; V25-K30 WeakPolarHBondContact CG1-O 3.32Å; V25-K32 HydrophobicContact CG2-CG 3.63Å
26L76.5Confident81.1Confident147 Ų147118.1 Ų118.177%0.7760%0.601SS**SBendtrans-81.974.1179.1-62.7177.1000110.4K30L26-K30 VanDerWaalsContact O-CD 3.25Å; L26-K30 WeakPolarHBondContact O-CD 3.36Å
27G80.2Confident80.8Confident46 Ų46121.2 Ų121.247%0.47462%0.618SS.*SBendtrans104.6159.1176.900000114.7V25 G29 K30V25-G27 VanDerWaalsContact C-N 3.29Å; V25-G27 WeakPolarHBondContact CG1-O 3.44Å; V25-G27 PolarHBondContact O-N 2.89Å; G27-G29 PolarHBondContact O-N 3.39Å; G27-K30 PolarHBondContact O-N 3.36Å
28V82.6Confident81Confident155 Ų155111.8 Ų111.894%0.93958%0.583SS**THydrogen-bonded Turntrans-62.3133.4-178.8-175.90000109.9K30V28-K30 VanDerWaalsContact C-N 3.29Å; V28-K30 PolarHBondContact O-N 2.8Å
29G80.4Confident81.2Confident81 Ų81108.5 Ų108.584%0.83557%0.565SS**THydrogen-bonded Turntrans79.7-8.6178.400000116.4G27G27-G29 PolarHBondContact O-N 3.39Å
30K80.1Confident81.4Confident143 Ų143110 Ų11062%0.62257%0.574SS**PPolyproline II helixtrans-78.9152.7175-59.6-158.1-166.4167.50111.1V25 L26 G27 V28V25-K30 HydrophobicContact CG1-CB 3.98Å; V25-K30 WeakPolarHBondContact CG1-O 3.32Å; L26-K30 VanDerWaalsContact O-CD 3.25Å; L26-K30 WeakPolarHBondContact O-CD 3.36Å; G27-K30 PolarHBondContact O-N 3.36Å; V28-K30 VanDerWaalsContact C-N 3.29Å; V28-K30 PolarHBondContact O-N 2.8Å
31K79Confident81.6Confident192 Ų192108.6 Ų108.684%0.83556%0.564SS**PPolyproline II helixtrans-89.6149.9173.3-68.7-178.2-178.9176.70110.2
32K75.2Confident82Confident138 Ų138110.7 Ų110.760%0.658%0.576SS**PPolyproline II helixtrans-56.3147.6170.3-67.4-174.3-177.9175.70109.8V25 K34V25-K32 HydrophobicContact CG2-CG 3.63Å; K32-K34 PolarHBondContact O-N 2.86Å
33S77Confident82.3Confident68 Ų68106.3 Ų106.348%0.47655%0.552SS.*PPolyproline II helixtrans-60.7127.2179.3620000111.2R23 K35R23-S33 WeakPolarHBondContact CD-OG 3.33Å; R23-S33 PolarHBondContact NH1-O 2.78Å; R23-S33 PolarHBondContact NH1-OG 2.91Å; R23-S33 VanDerWaalsContact NH1-OG 3.08Å; S33-K35 PolarHBondContact O-N 3.12Å; S33-K35 VanDerWaalsContact O-N 3.15Å
34K75.8Confident82.7Confident205 Ų205104.7 Ų104.789%0.89156%0.555SS**  trans-70.7-1.9-179.6-64.2-174.8-179.8-179.10114.3K32K32-K34 PolarHBondContact O-N 2.86Å
35K76.7Confident83Confident161 Ų161101.5 Ų101.570%0.755%0.546SS*.SBendtrans-61.1137.8-179.4-67.1-174.2179.7-177.60109.5R23 S33 L37R23-K35 PolarHBondContact NH1-O 3.18Å; S33-K35 PolarHBondContact O-N 3.12Å; S33-K35 VanDerWaalsContact O-N 3.15Å; K35-L37 PolarHBondContact O-N 3.28Å
36P79.5Confident83.4Confident103 Ų103102.4 Ų102.467%0.66957%0.568SS**  trans-56.5143.7177.722.8-32.1000110.8R23 R38R23-P36 PolarHBondContact NH2-O 2.84Å; R23-P36 VanDerWaalsContact NH2-O 3.07Å; P36-R38 PolarHBondContact O-N 3Å
37L82.3Confident84.1Confident86 Ų8697 Ų9745%0.4554%0.538SS..SBendtrans-85.133.4177.1-79.4155000111.2V19 F20 L21 R23 K35V19-L37 HydrophobicContact CG1-CB 4.46Å; V19-L37 HydrophobicContact CG1-CD2 4.37Å; V19-L37 WeakPolarHBondContact CG1-O 3.34Å; F20-L37 WeakPolarHBondContact O-CD2 3.32Å; L21-L37 HydrophobicContact CD2-CD2 4.35Å; R23-L37 HydrophobicContact CG-CD2 4.3Å; K35-L37 PolarHBondContact O-N 3.28Å
38R88.2Confident84.7Confident35 Ų35103.9 Ų103.913%0.13256%0.555CS.*  trans-130.3129.8-176.6-168.6172.5-176.480.4-6.7110.7P36 V40 A53 I54 G56 Y58P36-R38 PolarHBondContact O-N 3Å; R38-V40 HydrophobicContact CG-CG2 4.33Å; R38-A53 WeakPolarHBondContact CD-O 3.38Å; R38-A53 PolarHBondContact NE-O 2.85Å; R38-I54 WeakPolarHBondContact CD-O 3.31Å; R38-G56 WeakPolarHBondContact CD-O 3.36Å; R38-G56 PolarHBondContact NE-O 3.36Å; R38-G56 PolarHBondContact NH1-O 2.85Å; R38-G56 PolarHBondContact NH2-O 2.88Å; R38-Y58 PolarHBondContact NH1-O 2.85Å; R38-Y58 PolarHBondContact NH2-O 3.38Å
39L89.4Confident85.2Confident56 Ų5698.5 Ų98.529%0.29352%0.523SS..  trans-82.4124170.5176.864.5000109.1Q16 N18 V19 R41Q16-L39 PolarHBondContact NE2-O 2.84Å; N18-L39 HydrophobicContact CB-CD2 3.94Å; V19-L39 HydrophobicContact CG2-CB 3.82Å; L39-R41 HydrophobicContact CD1-CG 4.31Å; L39-R41 HydrophobicContact CG-CG 4.35Å
40V91.8Very high85.7Confident50 Ų5095.8 Ų95.830%0.30349%0.49SS..  trans-127.3137.6172.6-172.90000108R38 T49 I54 F65R38-V40 HydrophobicContact CG-CG2 4.33Å; V40-T49 HydrophobicContact CG1-CG2 4.42Å; V40-I54 HydrophobicContact CG1-CG1 4.06Å; V40-I54 HydrophobicContact CG2-CG1 4.36Å; V40-F65 CarbonylContact C-O 3.5Å; V40-F65 WeakPolarHBondContact CA-O 3.49Å
41R90.1Very high86.3Confident115 Ų11598.5 Ų98.543%0.43450%0.496SS..  trans-125.6145.5179.5-58.7178.775.2165.62.1109.5L39 T49 F65 N68L39-R41 HydrophobicContact CD1-CG 4.31Å; L39-R41 HydrophobicContact CG-CG 4.35Å; R41-T49 WeakPolarHBondContact O-CG2 3.46Å; R41-F65 PolarHBondContact N-O 3.32Å; R41-N68 PolarHBondContact NH1-OD1 2.73Å
42N91.6Very high86.8Confident115 Ų11591.7 Ų91.762%0.61547%0.471SS*.  trans-81.2133.8163.8-169.6-10000108.6G44 T49N42-G44 VanDerWaalsContact C-N 3.3Å; N42-G44 PolarHBondContact OD1-N 2.79Å; N42-T49 HydrophobicContact CB-CG2 4.44Å
43I90.1Very high87.5Confident32 Ų3285.1 Ų85.116%0.16444%0.443CS..  trans-76-24.8175.7-60.2174.9000110.9P64 F65 I71 I146I43-P64 HydrophobicContact CD1-CB 3.5Å; I43-P64 VanDerWaalsContact CD1-CB 3.5Å; I43-P64 HydrophobicContact CD1-CG 3.52Å; I43-P64 HydrophobicContact CG1-CB 3.93Å; I43-P64 HydrophobicContact CG1-CG 4.45Å; I43-F65 HydrophobicContact CD1-CD1 3.46Å; I43-F65 VanDerWaalsContact CD1-CD1 3.46Å; I43-F65 HydrophobicContact CD1-CD2 4.11Å; I43-F65 HydrophobicContact CD1-CE1 3.1Å; I43-F65 HydrophobicContact CD1-CE2 3.76Å; I43-F65 HydrophobicContact CD1-CG 3.98Å; I43-F65 HydrophobicContact CD1-CZ 3.26Å; I43-F65 HydrophobicContact CG1-CD1 3.71Å; I43-F65 HydrophobicContact CG1-CE1 3.71Å; I43-F65 HydrophobicContact CG1-CG 4.4Å; I43-F65 HydrophobicContact CG1-CZ 4.35Å; I43-I71 HydrophobicContact CD1-CG1 4.47Å; I43-I71 HydrophobicContact CG2-CB 3.75Å; I43-I71 HydrophobicContact CG2-CG1 3.51Å; I43-I146 HydrophobicContact CD1-CG2 4.24Å
44G89.1Confident88.1Confident28 Ų2885.8 Ų85.829%0.28944%0.44SS..  trans84.2-160.6-169.500000112.1N42 G46 F47N42-G44 VanDerWaalsContact C-N 3.3Å; N42-G44 PolarHBondContact OD1-N 2.79Å; G44-G46 PolarHBondContact O-N 2.96Å; G44-F47 PolarHBondContact O-N 3.2Å
45L86.6Confident88.7Confident114 Ų11483 Ų8360%0.59743%0.43SS*.THydrogen-bonded Turntrans60.823.5177.4-49.5169000114.4F47 I71 I75L45-F47 VanDerWaalsContact C-N 3.29Å; L45-F47 HydrophobicContact CB-CD2 3.91Å; L45-F47 HydrophobicContact CB-CE2 4Å; L45-F47 WeakPolarHBondContact O-CD2 3.38Å; L45-F47 PolarHBondContact O-N 2.89Å; L45-I71 HydrophobicContact CD1-CG2 4.18Å; L45-I75 HydrophobicContact CD1-CD1 4.11Å
46G89.4Confident89.1Confident81 Ų8175.4 Ų75.484%0.83540%0.398SS*.THydrogen-bonded Turntrans77.16.2178.700000115.4G44G44-G46 PolarHBondContact O-N 2.96Å
47F91.7Very high89.4Confident32 Ų3276.8 Ų76.814%0.1440%0.399CS..PPolyproline II helixtrans-85.6136.2176.7-63.6-77.3000112G44 L45 I75 I130 I146 K147G44-F47 PolarHBondContact O-N 3.2Å; L45-F47 VanDerWaalsContact C-N 3.29Å; L45-F47 HydrophobicContact CB-CD2 3.91Å; L45-F47 HydrophobicContact CB-CE2 4Å; L45-F47 WeakPolarHBondContact O-CD2 3.38Å; L45-F47 PolarHBondContact O-N 2.89Å; F47-I75 HydrophobicContact CE2-CD1 3.89Å; F47-I75 HydrophobicContact CZ-CD1 4.3Å; F47-I75 HydrophobicContact CZ-CG2 4.35Å; F47-I130 HydrophobicContact CE1-CD1 4.39Å; F47-I130 HydrophobicContact CE1-CG2 4.19Å; F47-I130 HydrophobicContact CZ-CG2 4.01Å; F47-I146 HydrophobicContact CB-CG2 3.7Å; F47-I146 HydrophobicContact CD1-CG2 3.7Å; F47-I146 HydrophobicContact CD2-CG2 3.59Å; F47-I146 HydrophobicContact CE1-CG2 4.2Å; F47-I146 HydrophobicContact CE2-CD1 4.47Å; F47-I146 HydrophobicContact CE2-CG2 4.11Å; F47-I146 HydrophobicContact CG-CG2 3.36Å; F47-I146 HydrophobicContact CZ-CG2 4.39Å; F47-K147 HydrophobicContact CD1-CB 4.05Å; F47-K147 HydrophobicContact CD1-CD 4.22Å; F47-K147 HydrophobicContact CE1-CB 4.11Å; F47-K147 HydrophobicContact CE1-CD 4.22Å
48K92.3Very high89.7Confident191 Ų19173.2 Ų73.283%0.8338%0.38SS*.PPolyproline II helixtrans-79.2142.6174.2-64.7-175.1179.5-177.10110.4
49T92.8Very high89.8Confident43 Ų4373 Ų7326%0.26438%0.381SS..PPolyproline II helixtrans-68.1128.3170.550.20000109.5V40 R41 N42 F65V40-T49 HydrophobicContact CG1-CG2 4.42Å; R41-T49 WeakPolarHBondContact O-CG2 3.46Å; N42-T49 HydrophobicContact CB-CG2 4.44Å; T49-F65 HydrophobicContact CG2-CD1 4.01Å; T49-F65 HydrophobicContact CG2-CE1 4.48Å
50P92.2Very high89.9Confident23 Ų2370.9 Ų70.915%0.14937%0.37CS..PPolyproline II helixtrans-68.1142.6179.525.5-31000110.5T52 A53 I54 F65 C119 F120P50-T52 VanDerWaalsContact C-N 3.27Å; P50-T52 PolarHBondContact O-N 2.94Å; P50-A53 HydrophobicContact CG-CB 3.78Å; P50-A53 WeakPolarHBondContact O-CB 3.3Å; P50-A53 PolarHBondContact O-N 2.8Å; P50-I54 PolarHBondContact O-N 2.99Å; P50-F65 VanDerWaalsContact CD-CZ 3.5Å; P50-F65 HydrophobicContact CG-CD2 3.99Å; P50-F65 HydrophobicContact CG-CE1 4.4Å; P50-F65 HydrophobicContact CG-CE2 3.92Å; P50-F65 HydrophobicContact CG-CG 4.3Å; P50-F65 HydrophobicContact CG-CZ 4.11Å; P50-C119 HydrophobicContact CB-CB 4.28Å; P50-C119 HydrophobicContact CG-CB 3.65Å; P50-F120 HydrophobicContact CB-CE1 4.14Å; P50-F120 HydrophobicContact CG-CE1 4.13Å; P50-F120 HydrophobicContact CG-CZ 4.09Å
51R90.9Very high89.9Confident200 Ų20075.8 Ų75.876%0.75539%0.387SS*.Hα-helixtrans-57.4-40.3-178.4-68-175-179.8179.5-1.5112.5A53 I54 E55R51-A53 PolarHBondContact O-N 2.78Å; R51-I54 WeakPolarHBondContact O-CA 3.46Å; R51-I54 WeakPolarHBondContact O-CB 3.11Å; R51-I54 PolarHBondContact O-N 2.9Å; R51-E55 PolarHBondContact O-N 2.83Å
52T90Very high90.1Very high50 Ų5074.3 Ų74.331%0.30738%0.384SS..Hα-helixtrans-60-26.9174500000113.7P50 I54 G56 C119P50-T52 VanDerWaalsContact C-N 3.27Å; P50-T52 PolarHBondContact O-N 2.94Å; T52-I54 VanDerWaalsContact C-N 3.33Å; T52-G56 VanDerWaalsContact O-CA 3.27Å; T52-G56 WeakPolarHBondContact O-CA 3.42Å; T52-G56 PolarHBondContact O-N 2.88Å; T52-C119 WeakPolarHBondContact CB-O 3.21Å; T52-C119 VanDerWaalsContact OG1-C 3.3Å; T52-C119 WeakPolarHBondContact OG1-CA 3.34Å; T52-C119 WeakPolarHBondContact OG1-CB 3.47Å; T52-C119 PolarHBondContact OG1-O 2.88Å
53A89.8Confident90.2Very high0 Ų068.9 Ų68.90%036%0.355CS..Hα-helixtrans-73.1-28.3171.300000112.3R38 P50 R51 F65 T66 C119R38-A53 WeakPolarHBondContact CD-O 3.38Å; R38-A53 PolarHBondContact NE-O 2.85Å; P50-A53 HydrophobicContact CG-CB 3.78Å; P50-A53 WeakPolarHBondContact O-CB 3.3Å; P50-A53 PolarHBondContact O-N 2.8Å; R51-A53 PolarHBondContact O-N 2.78Å; A53-F65 HydrophobicContact CB-CB 3.85Å; A53-F65 HydrophobicContact CB-CG 4.37Å; A53-T66 HydrophobicContact CB-CG2 3.9Å; A53-T66 WeakPolarHBondContact O-CG2 3.18Å; A53-C119 HydrophobicContact CB-CB 4Å
54I90.3Very high90.4Very high82 Ų8267.6 Ų67.642%0.42135%0.348SS..Hα-helixtrans-79.9-45.9178.5-59.5166.9000111R38 V40 P50 R51 T52R38-I54 WeakPolarHBondContact CD-O 3.31Å; V40-I54 HydrophobicContact CG1-CG1 4.06Å; V40-I54 HydrophobicContact CG2-CG1 4.36Å; P50-I54 PolarHBondContact O-N 2.99Å; R51-I54 WeakPolarHBondContact O-CA 3.46Å; R51-I54 WeakPolarHBondContact O-CB 3.11Å; R51-I54 PolarHBondContact O-N 2.9Å; T52-I54 VanDerWaalsContact C-N 3.33Å
55E88.5Confident90.6Very high146 Ų14666.2 Ų66.268%0.68234%0.335SS*.Hα-helixtrans-98.5-21.2-170.6-66.1165.5-169.400113.5R51R51-E55 PolarHBondContact O-N 2.83Å
56G85.5Confident90.9Very high2 Ų261 Ų612%0.02131%0.308CS..  trans-70156.7-175.300000113.4R38 T52R38-G56 WeakPolarHBondContact CD-O 3.36Å; R38-G56 PolarHBondContact NE-O 3.36Å; R38-G56 PolarHBondContact NH1-O 2.85Å; R38-G56 PolarHBondContact NH2-O 2.88Å; T52-G56 VanDerWaalsContact O-CA 3.27Å; T52-G56 WeakPolarHBondContact O-CA 3.42Å; T52-G56 PolarHBondContact O-N 2.88Å
57N85.6Confident90.9Very high131 Ų13157.7 Ų57.770%0.70127%0.273SS*.  trans-1031179.6-68.1-25.5000114
58Y88.2Confident90.8Very high12 Ų1261.2 Ų61.25%0.04729%0.294CS..  trans-66.1150.4179.971.8-92.5000112.3P6 R38 D60 P118 C119P6-Y58 HydrophobicContact CG-CD1 4.43Å; P6-Y58 HydrophobicContact CG-CG 4.32Å; R38-Y58 PolarHBondContact NH1-O 2.85Å; R38-Y58 PolarHBondContact NH2-O 3.38Å; Y58-D60 HydrophobicContact CD2-CB 4.01Å; Y58-D60 HydrophobicContact CE2-CB 4.11Å; Y58-P118 HydrophobicContact CD1-CB 4.09Å; Y58-P118 HydrophobicContact CD2-CB 3.77Å; Y58-P118 HydrophobicContact CD2-CG 3.78Å; Y58-P118 HydrophobicContact CE1-CB 4.45Å; Y58-P118 HydrophobicContact CE2-CB 4.16Å; Y58-P118 HydrophobicContact CE2-CG 4.23Å; Y58-P118 HydrophobicContact CG-CB 3.75Å; Y58-P118 HydrophobicContact CG-CG 4.2Å; Y58-C119 HydrophobicContact CE1-CB 4.34Å; Y58-C119 VanDerWaalsContact OH-CB 3.26Å; Y58-C119 WeakPolarHBondContact OH-CB 3.48Å
59I90.2Very high90.9Very high31 Ų3152.5 Ų52.516%0.15926%0.256CS..  trans-118.8112.4177.8-65.4166.3000108.8Q14 R87Q14-I59 HydrophobicContact CB-CB 4.13Å; Q14-I59 HydrophobicContact CB-CD1 3.43Å; Q14-I59 VanDerWaalsContact CB-CD1 3.43Å; Q14-I59 HydrophobicContact CB-CG1 4.36Å; Q14-I59 HydrophobicContact CB-CG2 4.3Å; Q14-I59 WeakPolarHBondContact O-CD1 3.39Å; I59-R87 PolarHBondContact O-NH1 3.28Å
60D91.4Very high90.9Very high10 Ų1054.2 Ų54.25%0.05327%0.27CS..  trans-135.4108.8178.1-177.113.5000110.4Y58 K62 C63 H115 P118Y58-D60 HydrophobicContact CD2-CB 4.01Å; Y58-D60 HydrophobicContact CE2-CB 4.11Å; D60-K62 PolarHBondContact O-N 3.36Å; D60-K62 WeakPolarHBondContact OD1-CB 3.36Å; D60-K62 PolarHBondContact OD1-N 3.27Å; D60-C63 HydrophobicContact CB-CB 3.97Å; D60-C63 WeakPolarHBondContact O-CB 3.32Å; D60-C63 PolarHBondContact O-N 3.43Å; D60-C63 PolarHBondContact OD2-N 2.91Å; D60-H115 IonicContact OD1-CE1 2.73Å; D60-H115 IonicContact OD1-NE2 2.91Å; D60-H115 IonicContact OD2-CD2 3.45Å; D60-H115 IonicContact OD2-CE1 3.91Å; D60-H115 PolarHBondContact OD2-CE1 3.38Å; D60-H115 IonicContact OD2-NE2 3.8Å; D60-H115 PolarHBondContact OD2-NE2 3.45Å; D60-P118 HydrophobicContact CB-CG 4.49Å; D60-P118 WeakPolarHBondContact OD2-CD 3.41Å
61K91.9Very high91Very high153 Ų15354.2 Ų54.267%0.66527%0.268SS*.THydrogen-bonded Turntrans-66.4-22.2178.1-62.2174.8-174.9170.40112
62K93.9Very high91Very high85 Ų8551.3 Ų51.337%0.3726%0.257SS..THydrogen-bonded Turntrans-90.1-5.3-178.5-62.5179.6-178.4-173.20112.8D60 V69 L137 N144D60-K62 PolarHBondContact O-N 3.36Å; D60-K62 WeakPolarHBondContact OD1-CB 3.36Å; D60-K62 PolarHBondContact OD1-N 3.27Å; K62-V69 VanDerWaalsContact O-CG2 3.32Å; K62-V69 WeakPolarHBondContact O-CG2 3.43Å; K62-L137 HydrophobicContact CB-CD1 4.19Å; K62-L137 HydrophobicContact CB-CD2 4.44Å; K62-L137 HydrophobicContact CD-CB 4.25Å; K62-L137 HydrophobicContact CG-CD2 4.31Å; K62-L137 PolarHBondContact NZ-O 3.5Å; K62-N144 PolarHBondContact O-ND2 2.86Å
63C93.4Very high91Very high0 Ų052.2 Ų52.20%028%0.277CS..  trans-73.3135.5178.5179.60000111.1D60 F65 T66 G67 S117D60-C63 HydrophobicContact CB-CB 3.97Å; D60-C63 WeakPolarHBondContact O-CB 3.32Å; D60-C63 PolarHBondContact O-N 3.43Å; D60-C63 PolarHBondContact OD2-N 2.91Å; C63-F65 VanDerWaalsContact C-N 3.32Å; C63-F65 PolarHBondContact SG-N 2.96Å; C63-F65 VanDerWaalsContact SG-N 3.42Å; C63-T66 WeakPolarHBondContact CB-OG1 3.47Å; C63-T66 PolarHBondContact SG-N 2.85Å; C63-T66 PolarHBondContact SG-OG1 2.95Å; C63-G67 CarbonylContact O-C 3.54Å; C63-G67 WeakPolarHBondContact O-CA 3.4Å; C63-G67 PolarHBondContact O-N 2.92Å; C63-S117 WeakPolarHBondContact CA-OG 3.32Å
64P93.9Very high91.3Very high5 Ų560.6 Ų60.63%0.03231%0.308CS..THydrogen-bonded Turntrans-76.6-21.6178.631.2-32.9000112.5I43 V69 I71 S117 N144I43-P64 HydrophobicContact CD1-CB 3.5Å; I43-P64 VanDerWaalsContact CD1-CB 3.5Å; I43-P64 HydrophobicContact CD1-CG 3.52Å; I43-P64 HydrophobicContact CG1-CB 3.93Å; I43-P64 HydrophobicContact CG1-CG 4.45Å; P64-V69 WeakPolarHBondContact CA-O 3.41Å; P64-I71 HydrophobicContact CB-CD1 3.99Å; P64-I71 HydrophobicContact CB-CG1 4Å; P64-I71 HydrophobicContact CG-CD1 4.4Å; P64-S117 WeakPolarHBondContact CD-OG 3.47Å; P64-N144 HydrophobicContact CG-CB 4.49Å
65F93.9Very high91.5Very high0 Ų060.4 Ų60.40%031%0.307CS..THydrogen-bonded Turntrans-88.1-38.7178.9-54.6-77.2000113.5V40 R41 I43 T49 P50 A53 C63 F120 I146V40-F65 CarbonylContact C-O 3.5Å; V40-F65 WeakPolarHBondContact CA-O 3.49Å; R41-F65 PolarHBondContact N-O 3.32Å; I43-F65 HydrophobicContact CD1-CD1 3.46Å; I43-F65 VanDerWaalsContact CD1-CD1 3.46Å; I43-F65 HydrophobicContact CD1-CD2 4.11Å; I43-F65 HydrophobicContact CD1-CE1 3.1Å; I43-F65 HydrophobicContact CD1-CE2 3.76Å; I43-F65 HydrophobicContact CD1-CG 3.98Å; I43-F65 HydrophobicContact CD1-CZ 3.26Å; I43-F65 HydrophobicContact CG1-CD1 3.71Å; I43-F65 HydrophobicContact CG1-CE1 3.71Å; I43-F65 HydrophobicContact CG1-CG 4.4Å; I43-F65 HydrophobicContact CG1-CZ 4.35Å; T49-F65 HydrophobicContact CG2-CD1 4.01Å; T49-F65 HydrophobicContact CG2-CE1 4.48Å; P50-F65 VanDerWaalsContact CD-CZ 3.5Å; P50-F65 HydrophobicContact CG-CD2 3.99Å; P50-F65 HydrophobicContact CG-CE1 4.4Å; P50-F65 HydrophobicContact CG-CE2 3.92Å; P50-F65 HydrophobicContact CG-CG 4.3Å; P50-F65 HydrophobicContact CG-CZ 4.11Å; A53-F65 HydrophobicContact CB-CB 3.85Å; A53-F65 HydrophobicContact CB-CG 4.37Å; C63-F65 VanDerWaalsContact C-N 3.32Å; C63-F65 PolarHBondContact SG-N 2.96Å; C63-F65 VanDerWaalsContact SG-N 3.42Å; F65-F120 AromaticContact CE2-CE2 3.77Å; F65-F120 HydrophobicContact CE2-CE2 3.77Å; F65-F120 AromaticContact CE2-CZ 3.63Å; F65-F120 HydrophobicContact CE2-CZ 3.63Å; F65-F120 HydrophobicContact CZ-CZ 4.03Å; F65-I146 HydrophobicContact CZ-CG2 4.42Å
66T92.1Very high91.9Very high5 Ų554.6 Ų54.63%0.03128%0.281CS..THydrogen-bonded Turntrans-116.8-9.1-172.6590000113.2Q16 A53 C63Q16-T66 PolarHBondContact NE2-O 2.88Å; A53-T66 HydrophobicContact CB-CG2 3.9Å; A53-T66 WeakPolarHBondContact O-CG2 3.18Å; C63-T66 WeakPolarHBondContact CB-OG1 3.47Å; C63-T66 PolarHBondContact SG-N 2.85Å; C63-T66 PolarHBondContact SG-OG1 2.95Å
67G90.4Very high92.4Very high11 Ų1157.9 Ų57.911%0.11330%0.303CS..SBendtrans-105.6-157.4176.500000112.9C63C63-G67 CarbonylContact O-C 3.54Å; C63-G67 WeakPolarHBondContact O-CA 3.4Å; C63-G67 PolarHBondContact O-N 2.92Å
68N90.1Very high92.9Very high106 Ų10652 Ų5257%0.56727%0.273SS*.SBendtrans-118.140.3178.9-164.326.8000111.3R41 R135R41-N68 PolarHBondContact NH1-OD1 2.73Å; N68-R135 PolarHBondContact O-NH1 3.49Å
69V93.5Very high93.3Very high8 Ų854.1 Ų54.15%0.04829%0.288CS..PPolyproline II helixtrans-100.1116.6175.3179.10000108.7K62 P64 C134 L137K62-V69 VanDerWaalsContact O-CG2 3.32Å; K62-V69 WeakPolarHBondContact O-CG2 3.43Å; P64-V69 WeakPolarHBondContact CA-O 3.41Å; V69-C134 HydrophobicContact CG1-CB 3.68Å; V69-L137 HydrophobicContact CG1-CD2 4.3Å; V69-L137 HydrophobicContact CG2-CD2 3.83Å
70S93.1Very high93.6Very high78 Ų7852.7 Ų52.755%0.54528%0.281SS..PPolyproline II helixtrans-82.1134.916848.40000109.8C134S70-C134 WeakPolarHBondContact O-CB 3.4Å
71I94.5Very high93.8Very high23 Ų2355 Ų5512%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-81.9129.9165-60.3-53.5000107.4I43 L45 P64 E133 C134 N144 I146I43-I71 HydrophobicContact CD1-CG1 4.47Å; I43-I71 HydrophobicContact CG2-CB 3.75Å; I43-I71 HydrophobicContact CG2-CG1 3.51Å; L45-I71 HydrophobicContact CD1-CG2 4.18Å; P64-I71 HydrophobicContact CB-CD1 3.99Å; P64-I71 HydrophobicContact CB-CG1 4Å; P64-I71 HydrophobicContact CG-CD1 4.4Å; I71-E133 CarbonylContact C-O 3.52Å; I71-E133 WeakPolarHBondContact CA-O 3.42Å; I71-C134 HydrophobicContact CD1-CB 4.24Å; I71-N144 HydrophobicContact CD1-CB 3.94Å; I71-I146 HydrophobicContact CB-CD1 4.39Å; I71-I146 HydrophobicContact CD1-CD1 4.31Å; I71-I146 HydrophobicContact CD1-CG1 4.39Å; I71-I146 HydrophobicContact CG1-CD1 3.94Å; I71-I146 HydrophobicContact CG1-CG1 4.28Å; I71-I146 HydrophobicContact CG2-CD1 3.72Å
72R90.3Very high94Very high139 Ų13953.6 Ų53.653%0.52529%0.289SS..EExtended strand (participates in β ladder)trans-141.2154-179.264.4-179.6-175.8171.53.3109.8E133R72-E133 PolarHBondContact N-O 2.94Å; R72-E133 CarbonylContact O-C 3.53Å; R72-E133 VanDerWaalsContact O-C 3.26Å; R72-E133 WeakPolarHBondContact O-CB 3.17Å; R72-E133 WeakPolarHBondContact O-CG 3.45Å
73G91.5Very high93.9Very high69 Ų6952.4 Ų52.471%0.71129%0.285SS*.EExtended strand (participates in β ladder)trans73.6-132.1173.300000113
74R94.3Very high93.9Very high177 Ų17761.7 Ų61.767%0.66833%0.326SS*.EExtended strand (participates in β ladder)trans-81.2134.2-164.9-62.2178178.6175.10.6112.8L76 E133R74-L76 HydrophobicContact CB-CD2 4.02Å; R74-L76 HydrophobicContact CB-CG 4.31Å; R74-E133 PolarHBondContact N-OE2 2.96Å; R74-E133 WeakPolarHBondContact O-CB 3.37Å; R74-E133 PolarHBondContact O-N 2.92Å
75I95.8Very high93.8Very high78 Ų7866.4 Ų66.440%0.435%0.348SS..EExtended strand (participates in β ladder)trans-96.2125.1164.3-59.9165.6000108L45 F47 I130 V131L45-I75 HydrophobicContact CD1-CD1 4.11Å; F47-I75 HydrophobicContact CE2-CD1 3.89Å; F47-I75 HydrophobicContact CZ-CD1 4.3Å; F47-I75 HydrophobicContact CZ-CG2 4.35Å; I75-I130 HydrophobicContact CG2-CG2 3.33Å; I75-V131 CarbonylContact C-O 3.26Å; I75-V131 WeakPolarHBondContact CA-O 3.47Å
76L96Very high93.6Very high24 Ų2473.1 Ų73.113%0.12638%0.38CS..EExtended strand (participates in β ladder)trans-124.4149.3-175.7-54.9178000110R74 R93 M112 I130 V131 Y143R74-L76 HydrophobicContact CB-CD2 4.02Å; R74-L76 HydrophobicContact CB-CG 4.31Å; L76-R93 VanDerWaalsContact CD1-NH1 3.3Å; L76-M112 HydrophobicContact CD1-CE 3.93Å; L76-M112 HydrophobicContact CD1-SD 4.45Å; L76-I130 CarbonylContact O-C 3.55Å; L76-I130 WeakPolarHBondContact O-CA 3.36Å; L76-V131 HydrophobicContact CB-CG2 3.81Å; L76-V131 PolarHBondContact N-O 2.79Å; L76-V131 WeakPolarHBondContact O-CG2 3.34Å; L76-V131 PolarHBondContact O-N 2.98Å; L76-Y143 HydrophobicContact CD1-CD1 4.15Å; L76-Y143 HydrophobicContact CD1-CE1 3.35Å; L76-Y143 HydrophobicContact CD1-CE2 4.43Å; L76-Y143 HydrophobicContact CG-CE1 4Å
77S96.2Very high93.6Very high70 Ų7076.8 Ų76.849%0.4939%0.393SS..EExtended strand (participates in β ladder)trans-111.114817154.90000110.9R93 V129S77-R93 VanDerWaalsContact O-CD 3.32Å; S77-R93 WeakPolarHBondContact O-CD 3.39Å; S77-R93 WeakPolarHBondContact O-CG 3.42Å; S77-R93 PolarHBondContact O-NE 2.9Å; S77-V129 WeakPolarHBondContact CA-O 3.39Å
78G96.4Very high93.8Very high7 Ų777.1 Ų77.17%0.07239%0.393CS..EExtended strand (participates in β ladder)trans-165164174.900000112.3R92 V129G78-R92 WeakPolarHBondContact CA-O 3.48Å; G78-V129 PolarHBondContact N-O 3.45Å; G78-V129 WeakPolarHBondContact O-CG2 3.27Å; G78-V129 PolarHBondContact O-N 3.48Å
79V96.6Very high94.1Very high58 Ų5872.2 Ų72.235%0.35237%0.367SS..EExtended strand (participates in β ladder)trans-93.4137.5178.2-1800000109.2V81 I91 R92 D127V79-V81 PolarHBondContact O-N 2.95Å; V79-I91 CarbonylContact O-C 3.57Å; V79-I91 VanDerWaalsContact O-CA 3.31Å; V79-I91 WeakPolarHBondContact O-CA 3.4Å; V79-R92 PolarHBondContact N-O 2.88Å; V79-R92 PolarHBondContact O-N 3.13Å; V79-D127 WeakPolarHBondContact CA-O 3.1Å
80V96.5Very high94.3Very high1 Ų173.2 Ų73.21%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-75.2123.7177.2-169.90000110.5M83 I89 I91 V123 G126 D127 V129V80-M83 HydrophobicContact CB-CE 3.99Å; V80-M83 HydrophobicContact CG1-CE 3.43Å; V80-M83 VanDerWaalsContact CG1-CE 3.43Å; V80-M83 HydrophobicContact CG1-CG 3.71Å; V80-M83 HydrophobicContact CG1-SD 4.45Å; V80-M83 HydrophobicContact CG2-CE 4.08Å; V80-I89 HydrophobicContact CG1-CB 4.08Å; V80-I89 HydrophobicContact CG1-CD1 4.21Å; V80-I89 HydrophobicContact CG1-CG2 4.48Å; V80-I89 HydrophobicContact CG2-CD1 3.78Å; V80-I91 HydrophobicContact CG2-CG2 4.45Å; V80-V123 HydrophobicContact CG2-CG1 4.21Å; V80-G126 PolarHBondContact O-N 3.2Å; V80-D127 PolarHBondContact N-O 2.77Å; V80-V129 HydrophobicContact CG2-CB 4.39Å; V80-V129 HydrophobicContact CG2-CG1 3.62Å; V80-V129 HydrophobicContact CG2-CG2 3.85Å
81V95.9Very high94.5Very high59 Ų5969.5 Ų69.536%0.35835%0.347SS..EExtended strand (participates in β ladder)trans-104.8-39.5-179.8-178.10000112.1V79 V90 R92 V125V79-V81 PolarHBondContact O-N 2.95Å; V81-V90 PolarHBondContact N-O 3.34Å; V81-R92 HydrophobicContact CG2-CB 3.28Å; V81-R92 HydrophobicContact CG2-CG 4.34Å; V81-V125 WeakPolarHBondContact O-CG1 3.34Å
82K95.3Very high94.7Very high122 Ų12273 Ų7353%0.5336%0.358SS..EExtended strand (participates in β ladder)trans-136.4137.5-178.9-57.4-176.5179.8177.40111V90K82-V90 HydrophobicContact CB-CB 4.15Å; K82-V90 HydrophobicContact CB-CG2 4.35Å; K82-V90 PolarHBondContact N-O 3.46Å; K82-V90 PolarHBondContact O-N 3.17Å
83M92.7Very high95Very high61 Ų6170 Ų7030%0.335%0.347SS..EExtended strand (participates in β ladder)trans-12748.1174.5-62.3-161.8176.400111.5V80 I89 V123 K124 V125V80-M83 HydrophobicContact CB-CE 3.99Å; V80-M83 HydrophobicContact CG1-CE 3.43Å; V80-M83 VanDerWaalsContact CG1-CE 3.43Å; V80-M83 HydrophobicContact CG1-CG 3.71Å; V80-M83 HydrophobicContact CG1-SD 4.45Å; V80-M83 HydrophobicContact CG2-CE 4.08Å; M83-I89 HydrophobicContact CB-CG2 4.34Å; M83-I89 HydrophobicContact CE-CG2 4.18Å; M83-I89 HydrophobicContact CG-CB 4.45Å; M83-I89 HydrophobicContact CG-CG2 3.71Å; M83-I89 HydrophobicContact SD-CG2 4.19Å; M83-V123 HydrophobicContact CE-CB 3.55Å; M83-V123 HydrophobicContact CE-CG1 3.23Å; M83-V123 WeakPolarHBondContact CE-O 3.49Å; M83-V123 VanDerWaalsContact SD-O 3.41Å; M83-K124 VanDerWaalsContact CE-C 3.45Å; M83-K124 WeakPolarHBondContact CE-O 3.47Å; M83-V125 HydrophobicContact CG-CG2 4.21Å
84K92.2Very high95.2Very high194 Ų19471.4 Ų71.484%0.84334%0.338SS*.EExtended strand (participates in β ladder)trans-92.5-16.6-177.4-62.8-169.3176.9-168.60113.5
85M92.1Very high95.3Very high104 Ų10468.1 Ų68.151%0.51233%0.327SS..EExtended strand (participates in β ladder)trans-96142.9-176-64.1176.169.100110.6R87 T88M85-R87 PolarHBondContact O-N 3.02Å; M85-T88 HydrophobicContact CE-CG2 4.3Å; M85-T88 PolarHBondContact O-N 2.82Å; M85-T88 HydrophobicContact SD-CG2 4.26Å
86Q90.2Very high95.4Very high141 Ų14169.6 Ų69.666%0.65934%0.335SS*.THydrogen-bonded Turntrans-62.4126.5175.8-168.5-173.48.100110.5T88Q86-T88 PolarHBondContact O-N 2.73Å
87R91.9Very high95.4Very high83 Ų8371.7 Ų71.731%0.31334%0.344SS..THydrogen-bonded Turntrans51.922.6178.8-61177.6-172.2178.86.6114.1I59 M85 H115 L116 P118I59-R87 PolarHBondContact O-NH1 3.28Å; M85-R87 PolarHBondContact O-N 3.02Å; R87-H115 PolarHBondContact O-ND1 3.27Å; R87-L116 PolarHBondContact O-N 2.79Å; R87-P118 HydrophobicContact CG-CG 4.36Å
88T95.7Very high95.5Very high18 Ų1872.8 Ų72.811%0.1134%0.34CS..EExtended strand (participates in β ladder)trans-142.2134.4179.3-610000109.1M85 Q86 V114 V141M85-T88 HydrophobicContact CE-CG2 4.3Å; M85-T88 PolarHBondContact O-N 2.82Å; M85-T88 HydrophobicContact SD-CG2 4.26Å; Q86-T88 PolarHBondContact O-N 2.73Å; T88-V114 CarbonylContact C-O 3.56Å; T88-V114 VanDerWaalsContact CA-O 3.3Å; T88-V114 WeakPolarHBondContact CA-O 3.33Å; T88-V114 WeakPolarHBondContact CG2-O 3.37Å; T88-V141 HydrophobicContact CG2-CG2 4Å
89I96.3Very high95.6Very high3 Ų374.2 Ų74.22%0.01535%0.347CS..EExtended strand (participates in β ladder)trans-119.4152.3176.760.9172.8000110.3V80 M83 I91 V114 L116 V129 V145V80-I89 HydrophobicContact CG1-CB 4.08Å; V80-I89 HydrophobicContact CG1-CD1 4.21Å; V80-I89 HydrophobicContact CG1-CG2 4.48Å; V80-I89 HydrophobicContact CG2-CD1 3.78Å; M83-I89 HydrophobicContact CB-CG2 4.34Å; M83-I89 HydrophobicContact CE-CG2 4.18Å; M83-I89 HydrophobicContact CG-CB 4.45Å; M83-I89 HydrophobicContact CG-CG2 3.71Å; M83-I89 HydrophobicContact SD-CG2 4.19Å; I89-I91 HydrophobicContact CD1-CG2 4Å; I89-I91 HydrophobicContact CG1-CG2 4.18Å; I89-V114 HydrophobicContact CG1-CB 4.22Å; I89-V114 PolarHBondContact N-O 3.12Å; I89-V114 PolarHBondContact O-N 3.49Å; I89-L116 HydrophobicContact CD1-CD1 4.31Å; I89-L116 HydrophobicContact CG1-CB 4.31Å; I89-L116 HydrophobicContact CG2-CB 3.91Å; I89-L116 HydrophobicContact CG2-CD2 3.65Å; I89-L116 HydrophobicContact CG2-CG 4.31Å; I89-V129 HydrophobicContact CD1-CG1 4.4Å; I89-V129 HydrophobicContact CD1-CG2 4.3Å; I89-V145 HydrophobicContact CD1-CG2 3.73Å; I89-V145 HydrophobicContact CG1-CG2 4.32Å
90V97.5Very high95.6Very high28 Ų2880.5 Ų80.517%0.1737%0.37CS..EExtended strand (participates in β ladder)trans-100117.4171.2-176.50000108.3V81 K82 N111 M112V81-V90 PolarHBondContact N-O 3.34Å; K82-V90 HydrophobicContact CB-CB 4.15Å; K82-V90 HydrophobicContact CB-CG2 4.35Å; K82-V90 PolarHBondContact N-O 3.46Å; K82-V90 PolarHBondContact O-N 3.17Å; V90-N111 HydrophobicContact CG1-CB 3.98Å; V90-M112 WeakPolarHBondContact CA-O 3.49Å
91I97.3Very high95.6Very high0 Ų088.6 Ų88.60%041%0.405CS..EExtended strand (participates in β ladder)trans-98.7142.6173.970.6167.2000109.5V79 V80 I89 R93 N111 M112 V114 V129 V131V79-I91 CarbonylContact O-C 3.57Å; V79-I91 VanDerWaalsContact O-CA 3.31Å; V79-I91 WeakPolarHBondContact O-CA 3.4Å; V80-I91 HydrophobicContact CG2-CG2 4.45Å; I89-I91 HydrophobicContact CD1-CG2 4Å; I89-I91 HydrophobicContact CG1-CG2 4.18Å; I91-R93 HydrophobicContact CD1-CG 4.36Å; I91-N111 CarbonylContact O-C 3.59Å; I91-N111 WeakPolarHBondContact O-CA 3.45Å; I91-M112 HydrophobicContact CD1-CE 3.46Å; I91-M112 VanDerWaalsContact CD1-CE 3.46Å; I91-M112 HydrophobicContact CG1-CB 3.94Å; I91-M112 HydrophobicContact CG1-CE 3.96Å; I91-M112 PolarHBondContact N-O 3.42Å; I91-M112 PolarHBondContact O-N 3.28Å; I91-V114 HydrophobicContact CD1-CG2 3.76Å; I91-V114 HydrophobicContact CG1-CG2 3.7Å; I91-V114 HydrophobicContact CG2-CG2 4.05Å; I91-V129 HydrophobicContact CB-CG2 4.38Å; I91-V129 HydrophobicContact CG2-CG2 3.43Å; I91-V129 VanDerWaalsContact CG2-CG2 3.43Å; I91-V131 HydrophobicContact CD1-CG1 3.95Å; I91-V131 HydrophobicContact CD1-CG2 3.8Å
92R97.2Very high95.7Very high96 Ų9693.1 Ų93.136%0.36242%0.416SS..EExtended strand (participates in β ladder)trans-104.6136170.3176.2177.5171.1162.41.5109.3G78 V79 V81 D94 H109G78-R92 WeakPolarHBondContact CA-O 3.48Å; V79-R92 PolarHBondContact N-O 2.88Å; V79-R92 PolarHBondContact O-N 3.13Å; V81-R92 HydrophobicContact CG2-CB 3.28Å; V81-R92 HydrophobicContact CG2-CG 4.34Å; R92-D94 IonicContact CZ-OD1 3.67Å; R92-D94 IonicContact NE-OD1 3.76Å; R92-D94 PolarHBondContact NE-OD1 2.81Å; R92-D94 IonicContact NE-OD2 2.98Å; R92-D94 IonicContact NH2-OD1 3.39Å; R92-D94 PolarHBondContact NH2-OD1 3.22Å; R92-H109 HydrophobicContact CG-CB 4.15Å
93R96.6Very high95.7Very high77 Ų7790.8 Ų90.829%0.29142%0.42SS..EExtended strand (participates in β ladder)trans-122.5118.6173.7-60.5-16966.9-153.21.8108.7L76 S77 I91 H109 K110 M112L76-R93 VanDerWaalsContact CD1-NH1 3.3Å; S77-R93 VanDerWaalsContact O-CD 3.32Å; S77-R93 WeakPolarHBondContact O-CD 3.39Å; S77-R93 WeakPolarHBondContact O-CG 3.42Å; S77-R93 PolarHBondContact O-NE 2.9Å; I91-R93 HydrophobicContact CD1-CG 4.36Å; R93-H109 CarbonylContact O-C 3.57Å; R93-H109 VanDerWaalsContact O-CA 3.29Å; R93-H109 WeakPolarHBondContact O-CA 3.43Å; R93-K110 PolarHBondContact N-O 3.4Å; R93-K110 PolarHBondContact O-N 2.86Å; R93-M112 HydrophobicContact CG-CE 3.99Å
94D96.2Very high96Very high98 Ų9896.9 Ų96.952%0.52444%0.44SS..EExtended strand (participates in β ladder)trans-87.2140.7171.8-55.5-72.2000109.2R92 R108 H109R92-D94 IonicContact CZ-OD1 3.67Å; R92-D94 IonicContact NE-OD1 3.76Å; R92-D94 PolarHBondContact NE-OD1 2.81Å; R92-D94 IonicContact NE-OD2 2.98Å; R92-D94 IonicContact NH2-OD1 3.39Å; R92-D94 PolarHBondContact NH2-OD1 3.22Å; D94-R108 WeakPolarHBondContact CA-O 3.08Å; D94-H109 VanDerWaalsContact OD1-CB 3.32Å; D94-H109 WeakPolarHBondContact OD1-CB 3.48Å
95Y96.7Very high96.3Very high109 Ų10994 Ų9443%0.42743%0.427SS..EExtended strand (participates in β ladder)trans-145.8154.1176.866.4-81.9000109.7H97 R108 K110Y95-H97 HydrophobicContact CE2-CB 4.4Å; Y95-R108 HydrophobicContact CD1-CB 4.22Å; Y95-R108 HydrophobicContact CD2-CB 4.24Å; Y95-R108 HydrophobicContact CE1-CB 3.71Å; Y95-R108 HydrophobicContact CE2-CB 3.75Å; Y95-R108 HydrophobicContact CE2-CG 4.41Å; Y95-R108 HydrophobicContact CG-CB 4.46Å; Y95-R108 VanDerWaalsContact CZ-CB 3.47Å; Y95-R108 PolarHBondContact N-O 3.03Å; Y95-R108 PolarHBondContact O-N 3.46Å; Y95-R108 VanDerWaalsContact O-O 3.08Å; Y95-K110 HydrophobicContact CE1-CB 4.22Å
96L97.4Very high96.5Very high109 Ų10992.8 Ų92.857%0.57142%0.42SS*.EExtended strand (participates in β ladder)trans-89.7137.7175.4-63.5177.5000109.9F105 E106 K107L96-F105 HydrophobicContact CB-CB 4.29Å; L96-F105 HydrophobicContact CB-CD1 3.98Å; L96-F105 HydrophobicContact CB-CG 4.46Å; L96-F105 HydrophobicContact CD2-CB 4.48Å; L96-E106 WeakPolarHBondContact CA-O 3.35Å; L96-K107 HydrophobicContact CD2-CG 3.92Å
97H97.6Very high96.8Very high68 Ų6895.1 Ų95.132%0.31543%0.429SS..EExtended strand (participates in β ladder)trans-118.6127.2173.5179.4-91.1000109.5Y95 F105 E106 R108Y95-H97 HydrophobicContact CE2-CB 4.4Å; H97-F105 WeakPolarHBondContact O-CA 3.37Å; H97-E106 HydrophobicContact CB-CG 4.12Å; H97-E106 PolarHBondContact N-O 2.93Å; H97-E106 IonicContact ND1-OE1 2.6Å; H97-E106 PolarHBondContact O-N 3.32Å; H97-R108 HydrophobicContact CB-CG 3.97Å; H97-R108 PolarHBondContact CE1-NH2 3.18Å; H97-R108 VanDerWaalsContact CG-CZ 3.49Å; H97-R108 PolarHBondContact ND1-NH2 3.48Å
98F97.8Very high97.1Very high92 Ų9295.7 Ų95.740%0.40443%0.431SS..EExtended strand (participates in β ladder)trans-82.3125.1-179.4-172.5-109.2000111.1K100 A103 F105F98-K100 HydrophobicContact CD1-CG 4.26Å; F98-K100 HydrophobicContact CE1-CG 4.4Å; F98-A103 HydrophobicContact CZ-CB 4.27Å; F98-F105 HydrophobicContact CB-CD1 3.86Å; F98-F105 HydrophobicContact CB-CE1 3.59Å; F98-F105 HydrophobicContact CB-CZ 4.24Å; F98-F105 AromaticContact CD2-CD1 3.97Å; F98-F105 HydrophobicContact CD2-CD1 3.97Å; F98-F105 AromaticContact CD2-CD2 3.99Å; F98-F105 HydrophobicContact CD2-CD2 3.99Å; F98-F105 AromaticContact CD2-CE1 3.66Å; F98-F105 HydrophobicContact CD2-CE1 3.66Å; F98-F105 AromaticContact CD2-CE2 3.67Å; F98-F105 HydrophobicContact CD2-CE2 3.67Å; F98-F105 HydrophobicContact CD2-CG 4.14Å; F98-F105 AromaticContact CD2-CZ 3.49Å; F98-F105 HydrophobicContact CD2-CZ 3.49Å; F98-F105 VanDerWaalsContact CD2-CZ 3.49Å; F98-F105 HydrophobicContact CE2-CE2 4.1Å; F98-F105 HydrophobicContact CE2-CZ 4.22Å; F98-F105 HydrophobicContact CG-CD1 4.43Å; F98-F105 HydrophobicContact CG-CE1 4.04Å; F98-F105 HydrophobicContact CG-CZ 4.2Å
99V97.4Very high97.2Very high37 Ų3799.7 Ų99.722%0.22445%0.448CS..EExtended strand (participates in β ladder)trans-98.6101.9177.2-1730000109K101 Y102 A103 R104 E106V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 2.91Å; V99-Y102 HydrophobicContact CG1-CD2 3.71Å; V99-Y102 HydrophobicContact CG1-CE2 4.43Å; V99-Y102 PolarHBondContact O-N 3.38Å; V99-A103 PolarHBondContact O-N 3.22Å; V99-R104 PolarHBondContact N-O 2.88Å; V99-E106 HydrophobicContact CG2-CB 4.49Å; V99-E106 HydrophobicContact CG2-CG 3.97Å
100K96.9Very high97.2Very high190 Ų190105.4 Ų105.483%0.82647%0.473SS*.G310 helixtrans-52.6-44.9-173.7-64.1-175.6179.2-179.10113.5F98 Y102 A103F98-K100 HydrophobicContact CD1-CG 4.26Å; F98-K100 HydrophobicContact CE1-CG 4.4Å; K100-Y102 VanDerWaalsContact C-N 3.3Å; K100-Y102 PolarHBondContact O-N 2.63Å; K100-A103 PolarHBondContact O-N 2.95Å
101K97.8Very high97.2Very high172 Ų172108.5 Ų108.575%0.74849%0.488SS*.G310 helixtrans-60-36.8-177.1-177.4176.4-179.9179.50113.4V99V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 2.91Å
102Y97.7Very high97.1Very high153 Ų153109.4 Ų109.460%0.649%0.493SS*.G310 helixtrans-1060.6-175.2-58.6-68.4000113.1V99 K100 R104V99-Y102 HydrophobicContact CG1-CD2 3.71Å; V99-Y102 HydrophobicContact CG1-CE2 4.43Å; V99-Y102 PolarHBondContact O-N 3.38Å; K100-Y102 VanDerWaalsContact C-N 3.3Å; K100-Y102 PolarHBondContact O-N 2.63Å; Y102-R104 WeakPolarHBondContact O-CG 3.38Å; Y102-R104 PolarHBondContact O-N 3.21Å; Y102-R104 VanDerWaalsContact O-N 3.11Å
103A95.7Very high97.1Very high73 Ų73106.2 Ų106.260%0.60349%0.485SS*.THydrogen-bonded Turntrans47.436-17300000113.8F98 V99 K100F98-A103 HydrophobicContact CZ-CB 4.27Å; V99-A103 PolarHBondContact O-N 3.22Å; K100-A103 PolarHBondContact O-N 2.95Å
104R98.2Very high97.2Very high189 Ų189102.6 Ų102.671%0.71347%0.471SS*.EExtended strand (participates in β ladder)trans-124.9152.3-175.5-77171.8-175.3-161.91111.2V99 Y102V99-R104 PolarHBondContact N-O 2.88Å; Y102-R104 WeakPolarHBondContact O-CG 3.38Å; Y102-R104 PolarHBondContact O-N 3.21Å; Y102-R104 VanDerWaalsContact O-N 3.11Å
105F97.8Very high97.2Very high134 Ų13498.1 Ų98.159%0.58845%0.447SS*.EExtended strand (participates in β ladder)trans-94.8133.4170.5-67.6-87.7000110.7L96 H97 F98L96-F105 HydrophobicContact CB-CB 4.29Å; L96-F105 HydrophobicContact CB-CD1 3.98Å; L96-F105 HydrophobicContact CB-CG 4.46Å; L96-F105 HydrophobicContact CD2-CB 4.48Å; H97-F105 WeakPolarHBondContact O-CA 3.37Å; F98-F105 HydrophobicContact CB-CD1 3.86Å; F98-F105 HydrophobicContact CB-CE1 3.59Å; F98-F105 HydrophobicContact CB-CZ 4.24Å; F98-F105 AromaticContact CD2-CD1 3.97Å; F98-F105 HydrophobicContact CD2-CD1 3.97Å; F98-F105 AromaticContact CD2-CD2 3.99Å; F98-F105 HydrophobicContact CD2-CD2 3.99Å; F98-F105 AromaticContact CD2-CE1 3.66Å; F98-F105 HydrophobicContact CD2-CE1 3.66Å; F98-F105 AromaticContact CD2-CE2 3.67Å; F98-F105 HydrophobicContact CD2-CE2 3.67Å; F98-F105 HydrophobicContact CD2-CG 4.14Å; F98-F105 AromaticContact CD2-CZ 3.49Å; F98-F105 HydrophobicContact CD2-CZ 3.49Å; F98-F105 VanDerWaalsContact CD2-CZ 3.49Å; F98-F105 HydrophobicContact CE2-CE2 4.1Å; F98-F105 HydrophobicContact CE2-CZ 4.22Å; F98-F105 HydrophobicContact CG-CD1 4.43Å; F98-F105 HydrophobicContact CG-CE1 4.04Å; F98-F105 HydrophobicContact CG-CZ 4.2Å
106E96.8Very high97.1Very high78 Ų7894.1 Ų94.136%0.36443%0.433SS..EExtended strand (participates in β ladder)trans-105.4149.5168.566.2-179.4-171.900110.9L96 H97 V99 R108L96-E106 WeakPolarHBondContact CA-O 3.35Å; H97-E106 HydrophobicContact CB-CG 4.12Å; H97-E106 PolarHBondContact N-O 2.93Å; H97-E106 IonicContact ND1-OE1 2.6Å; H97-E106 PolarHBondContact O-N 3.32Å; V99-E106 HydrophobicContact CG2-CB 4.49Å; V99-E106 HydrophobicContact CG2-CG 3.97Å; E106-R108 HydrophobicContact CG-CG 4.27Å; E106-R108 IonicContact OE1-CZ 3.11Å; E106-R108 IonicContact OE1-NE 2.73Å; E106-R108 PolarHBondContact OE1-NE 3.43Å; E106-R108 IonicContact OE1-NH2 2.68Å; E106-R108 PolarHBondContact OE1-NH2 3Å
107K97.6Very high96.9Very high191 Ų19188.9 Ų88.983%0.8341%0.406SS*.EExtended strand (participates in β ladder)trans-80.8119175.1-65.4179.2-177.21770108.9L96L96-K107 HydrophobicContact CD2-CG 3.92Å
108R97.7Very high96.6Very high95 Ų9586.2 Ų86.236%0.35839%0.394SS..EExtended strand (participates in β ladder)trans-113.9163.1170.6-67.1-167.1-179.6-177.1-1.4110.4D94 Y95 H97 E106D94-R108 WeakPolarHBondContact CA-O 3.08Å; Y95-R108 HydrophobicContact CD1-CB 4.22Å; Y95-R108 HydrophobicContact CD2-CB 4.24Å; Y95-R108 HydrophobicContact CE1-CB 3.71Å; Y95-R108 HydrophobicContact CE2-CB 3.75Å; Y95-R108 HydrophobicContact CE2-CG 4.41Å; Y95-R108 HydrophobicContact CG-CB 4.46Å; Y95-R108 VanDerWaalsContact CZ-CB 3.47Å; Y95-R108 PolarHBondContact N-O 3.03Å; Y95-R108 PolarHBondContact O-N 3.46Å; Y95-R108 VanDerWaalsContact O-O 3.08Å; H97-R108 HydrophobicContact CB-CG 3.97Å; H97-R108 PolarHBondContact CE1-NH2 3.18Å; H97-R108 VanDerWaalsContact CG-CZ 3.49Å; H97-R108 PolarHBondContact ND1-NH2 3.48Å; E106-R108 HydrophobicContact CG-CG 4.27Å; E106-R108 IonicContact OE1-CZ 3.11Å; E106-R108 IonicContact OE1-NE 2.73Å; E106-R108 PolarHBondContact OE1-NE 3.43Å; E106-R108 IonicContact OE1-NH2 2.68Å; E106-R108 PolarHBondContact OE1-NH2 3Å
109H96.7Very high96.3Very high101 Ų10181.9 Ų81.947%0.46838%0.376SS..EExtended strand (participates in β ladder)trans-137150.9175.466.9-90.6000111.5R92 R93 D94R92-H109 HydrophobicContact CG-CB 4.15Å; R93-H109 CarbonylContact O-C 3.57Å; R93-H109 VanDerWaalsContact O-CA 3.29Å; R93-H109 WeakPolarHBondContact O-CA 3.43Å; D94-H109 VanDerWaalsContact OD1-CB 3.32Å; D94-H109 WeakPolarHBondContact OD1-CB 3.48Å
110K96.8Very high96Very high124 Ų12481 Ų8154%0.53937%0.369SS..EExtended strand (participates in β ladder)trans-128.6129.9172.9-175.4174.2-177.7174.80109.7R93 Y95 M112R93-K110 PolarHBondContact N-O 3.4Å; R93-K110 PolarHBondContact O-N 2.86Å; Y95-K110 HydrophobicContact CE1-CB 4.22Å; K110-M112 HydrophobicContact CD-CG 4.34Å; K110-M112 HydrophobicContact CD-SD 4.38Å; K110-M112 HydrophobicContact CG-CG 4.1Å
111N97Very high95.3Very high92 Ų9274.6 Ų74.649%0.49234%0.344SS..EExtended strand (participates in β ladder)trans-92.2135.7171.3-65.6-28.4000109.6V90 I91V90-N111 HydrophobicContact CG1-CB 3.98Å; I91-N111 CarbonylContact O-C 3.59Å; I91-N111 WeakPolarHBondContact O-CA 3.45Å
112M96.1Very high94.8Very high20 Ų2070.4 Ų70.410%0.09933%0.329CS..EExtended strand (participates in β ladder)trans-133.4136.7-179.6-54.1-170.2-45.500109.9L76 V90 I91 R93 K110L76-M112 HydrophobicContact CD1-CE 3.93Å; L76-M112 HydrophobicContact CD1-SD 4.45Å; V90-M112 WeakPolarHBondContact CA-O 3.49Å; I91-M112 HydrophobicContact CD1-CE 3.46Å; I91-M112 VanDerWaalsContact CD1-CE 3.46Å; I91-M112 HydrophobicContact CG1-CB 3.94Å; I91-M112 HydrophobicContact CG1-CE 3.96Å; I91-M112 PolarHBondContact N-O 3.42Å; I91-M112 PolarHBondContact O-N 3.28Å; R93-M112 HydrophobicContact CG-CE 3.99Å; K110-M112 HydrophobicContact CD-CG 4.34Å; K110-M112 HydrophobicContact CD-SD 4.38Å; K110-M112 HydrophobicContact CG-CG 4.1Å
113S97.3Very high94.5Very high29 Ų2963.8 Ų63.820%0.20331%0.305CS..EExtended strand (participates in β ladder)trans-87.2129.8173.9-59.80000109.7
114V97.4Very high94.3Very high0 Ų064.5 Ų64.50%029%0.294CS..EExtended strand (participates in β ladder)trans-133.4135.4-173-175.40000109.2T88 I89 I91 L116 V131 Y143 V145T88-V114 CarbonylContact C-O 3.56Å; T88-V114 VanDerWaalsContact CA-O 3.3Å; T88-V114 WeakPolarHBondContact CA-O 3.33Å; T88-V114 WeakPolarHBondContact CG2-O 3.37Å; I89-V114 HydrophobicContact CG1-CB 4.22Å; I89-V114 PolarHBondContact N-O 3.12Å; I89-V114 PolarHBondContact O-N 3.49Å; I91-V114 HydrophobicContact CD1-CG2 3.76Å; I91-V114 HydrophobicContact CG1-CG2 3.7Å; I91-V114 HydrophobicContact CG2-CG2 4.05Å; V114-L116 PolarHBondContact O-N 3Å; V114-V131 HydrophobicContact CB-CG1 4.42Å; V114-V131 HydrophobicContact CG1-CB 3.99Å; V114-V131 HydrophobicContact CG1-CG1 3.62Å; V114-V131 HydrophobicContact CG2-CG1 4.14Å; V114-Y143 WeakPolarHBondContact CG1-O 2.99Å; V114-V145 HydrophobicContact CG1-CG2 3.72Å
115H96.8Very high94Very high4 Ų460 Ų602%0.01929%0.288CS..EExtended strand (participates in β ladder)trans-67.1124.5173.3-173.979.7000110D60 R87 S117 L137 V141 Y143 N144 V145D60-H115 IonicContact OD1-CE1 2.73Å; D60-H115 IonicContact OD1-NE2 2.91Å; D60-H115 IonicContact OD2-CD2 3.45Å; D60-H115 IonicContact OD2-CE1 3.91Å; D60-H115 PolarHBondContact OD2-CE1 3.38Å; D60-H115 IonicContact OD2-NE2 3.8Å; D60-H115 PolarHBondContact OD2-NE2 3.45Å; R87-H115 PolarHBondContact O-ND1 3.27Å; H115-S117 PolarHBondContact CD2-OG 2.6Å; H115-L137 HydrophobicContact CB-CD1 3.76Å; H115-V141 HydrophobicContact CB-CG1 3.81Å; H115-Y143 PolarHBondContact N-O 2.93Å; H115-N144 PolarHBondContact CD2-ND2 2.84Å; H115-N144 VanDerWaalsContact CD2-ND2 3.34Å; H115-N144 PolarHBondContact O-OD1 2.81Å; H115-V145 PolarHBondContact O-N 2.76Å
116L95.5Very high93.8Very high25 Ų2555.1 Ų55.113%0.13128%0.275CS..  trans-103.1105.5172.2-177.969.1000108.3R87 I89 V114 F120 V123 V145R87-L116 PolarHBondContact O-N 2.79Å; I89-L116 HydrophobicContact CD1-CD1 4.31Å; I89-L116 HydrophobicContact CG1-CB 4.31Å; I89-L116 HydrophobicContact CG2-CB 3.91Å; I89-L116 HydrophobicContact CG2-CD2 3.65Å; I89-L116 HydrophobicContact CG2-CG 4.31Å; V114-L116 PolarHBondContact O-N 3Å; L116-F120 HydrophobicContact CD1-CB 3.77Å; L116-F120 HydrophobicContact CD1-CD2 4.25Å; L116-F120 HydrophobicContact CD1-CG 4.43Å; L116-V123 HydrophobicContact CD1-CG2 3.96Å; L116-V123 HydrophobicContact CD2-CB 4.49Å; L116-V123 HydrophobicContact CD2-CG2 4.41Å; L116-V145 HydrophobicContact CD1-CB 4.05Å; L116-V145 HydrophobicContact CD1-CG1 4.2Å; L116-V145 HydrophobicContact CD1-CG2 3.81Å
117S93.1Very high93.7Very high0 Ų051.6 Ų51.60%026%0.259CS..  trans-67.5140175.8-60.90000110.2C63 P64 H115 C119 F120 N144C63-S117 WeakPolarHBondContact CA-OG 3.32Å; P64-S117 WeakPolarHBondContact CD-OG 3.47Å; H115-S117 PolarHBondContact CD2-OG 2.6Å; S117-C119 WeakPolarHBondContact CB-SG 3.47Å; S117-C119 PolarHBondContact O-N 2.97Å; S117-F120 PolarHBondContact O-N 3.49Å; S117-N144 PolarHBondContact OG-OD1 2.89Å; S117-N144 VanDerWaalsContact OG-OD1 3.13Å
118P91.5Very high93.6Very high11 Ų1144.8 Ų44.87%0.07123%0.233CC..THydrogen-bonded Turntrans-66.38.8179.6-16.728.2000115.5P6 Y58 D60 R87 F120 N121P6-P118 HydrophobicContact CB-CB 4.45Å; P6-P118 HydrophobicContact CG-CB 3.87Å; Y58-P118 HydrophobicContact CD1-CB 4.09Å; Y58-P118 HydrophobicContact CD2-CB 3.77Å; Y58-P118 HydrophobicContact CD2-CG 3.78Å; Y58-P118 HydrophobicContact CE1-CB 4.45Å; Y58-P118 HydrophobicContact CE2-CB 4.16Å; Y58-P118 HydrophobicContact CE2-CG 4.23Å; Y58-P118 HydrophobicContact CG-CB 3.75Å; Y58-P118 HydrophobicContact CG-CG 4.2Å; D60-P118 HydrophobicContact CB-CG 4.49Å; D60-P118 WeakPolarHBondContact OD2-CD 3.41Å; R87-P118 HydrophobicContact CG-CG 4.36Å; P118-F120 VanDerWaalsContact C-N 3.26Å; P118-N121 PolarHBondContact O-OD1 2.97Å
119C90.9Very high93.5Very high2 Ų240.3 Ų40.31%0.01422%0.216CC..THydrogen-bonded Turntrans-70.4-26.7162.243.70000112P50 T52 A53 Y58 S117 N121P50-C119 HydrophobicContact CB-CB 4.28Å; P50-C119 HydrophobicContact CG-CB 3.65Å; T52-C119 WeakPolarHBondContact CB-O 3.21Å; T52-C119 VanDerWaalsContact OG1-C 3.3Å; T52-C119 WeakPolarHBondContact OG1-CA 3.34Å; T52-C119 WeakPolarHBondContact OG1-CB 3.47Å; T52-C119 PolarHBondContact OG1-O 2.88Å; A53-C119 HydrophobicContact CB-CB 4Å; Y58-C119 HydrophobicContact CE1-CB 4.34Å; Y58-C119 VanDerWaalsContact OH-CB 3.26Å; Y58-C119 WeakPolarHBondContact OH-CB 3.48Å; S117-C119 WeakPolarHBondContact CB-SG 3.47Å; S117-C119 PolarHBondContact O-N 2.97Å; C119-N121 PolarHBondContact O-N 2.61Å
120F91.4Very high93.5Very high19 Ų1936.9 Ų36.98%0.08320%0.201CC..  trans-101.877.2-178.2-56.8-67.1000109.1P50 F65 L116 S117 P118 V123 V145 I146 V148P50-F120 HydrophobicContact CB-CE1 4.14Å; P50-F120 HydrophobicContact CG-CE1 4.13Å; P50-F120 HydrophobicContact CG-CZ 4.09Å; F65-F120 AromaticContact CE2-CE2 3.77Å; F65-F120 HydrophobicContact CE2-CE2 3.77Å; F65-F120 AromaticContact CE2-CZ 3.63Å; F65-F120 HydrophobicContact CE2-CZ 3.63Å; F65-F120 HydrophobicContact CZ-CZ 4.03Å; L116-F120 HydrophobicContact CD1-CB 3.77Å; L116-F120 HydrophobicContact CD1-CD2 4.25Å; L116-F120 HydrophobicContact CD1-CG 4.43Å; S117-F120 PolarHBondContact O-N 3.49Å; P118-F120 VanDerWaalsContact C-N 3.26Å; F120-V123 HydrophobicContact CB-CG2 3.54Å; F120-V123 WeakPolarHBondContact O-CG2 2.78Å; F120-V145 HydrophobicContact CD2-CB 4.25Å; F120-V145 HydrophobicContact CD2-CG1 3.9Å; F120-V145 HydrophobicContact CE2-CB 4.32Å; F120-V145 HydrophobicContact CE2-CG1 3.98Å; F120-V145 WeakPolarHBondContact CE2-O 3.43Å; F120-V145 HydrophobicContact CG-CG1 4.45Å; F120-I146 WeakPolarHBondContact CZ-O 3.18Å; F120-V148 HydrophobicContact CB-CG2 4.06Å; F120-V148 HydrophobicContact CD1-CG2 3.67Å; F120-V148 HydrophobicContact CE1-CG2 4.28Å; F120-V148 HydrophobicContact CG-CG2 3.87Å
121N82.7Confident93.5Very high55 Ų5531 Ų3129%0.29418%0.176SC..  trans-82.3-22.4-176.5-67.9-23.8000113.4A3 P118 C119A3-N121 HydrophobicContact CB-CB 3.93Å; P118-N121 PolarHBondContact O-OD1 2.97Å; C119-N121 PolarHBondContact O-N 2.61Å
122D86.1Confident93.5Very high84 Ų8426.6 Ų26.645%0.44915%0.152SC..SBendtrans-91-1.6-171.761.9-43.1000113K124 K150D122-K124 PolarHBondContact O-N 2.8Å; D122-K150 PolarHBondContact O-NZ 3.49Å; D122-K150 WeakPolarHBondContact OD2-CE 2.9Å; D122-K150 IonicContact OD2-NZ 2.91Å; D122-K150 PolarHBondContact OD2-NZ 3.1Å
123V90.8Very high93.5Very high13 Ų1328.4 Ų28.48%0.07916%0.161CC..  trans-65133.3-175.5-158.20000110V80 M83 L116 F120 D127 V129 V148V80-V123 HydrophobicContact CG2-CG1 4.21Å; M83-V123 HydrophobicContact CE-CB 3.55Å; M83-V123 HydrophobicContact CE-CG1 3.23Å; M83-V123 WeakPolarHBondContact CE-O 3.49Å; M83-V123 VanDerWaalsContact SD-O 3.41Å; L116-V123 HydrophobicContact CD1-CG2 3.96Å; L116-V123 HydrophobicContact CD2-CB 4.49Å; L116-V123 HydrophobicContact CD2-CG2 4.41Å; F120-V123 HydrophobicContact CB-CG2 3.54Å; F120-V123 WeakPolarHBondContact O-CG2 2.78Å; V123-D127 HydrophobicContact CG1-CB 4.09Å; V123-V129 HydrophobicContact CG1-CG1 4.13Å; V123-V148 HydrophobicContact CB-CG1 4.5Å; V123-V148 HydrophobicContact CG1-CG1 3.94Å; V123-V148 HydrophobicContact CG1-CG2 4.39Å; V123-V148 HydrophobicContact CG2-CB 4.41Å; V123-V148 HydrophobicContact CG2-CG1 4.06Å; V123-V148 HydrophobicContact CG2-CG2 3.58Å
124K91.5Very high93.4Very high89 Ų8927.1 Ų27.139%0.38715%0.151SC..  trans-120.2163.9176.7-63.7-179.7-177-174.90111.1M83 D122 G126 D127 E159M83-K124 VanDerWaalsContact CE-C 3.45Å; M83-K124 WeakPolarHBondContact CE-O 3.47Å; D122-K124 PolarHBondContact O-N 2.8Å; K124-G126 PolarHBondContact O-N 3.03Å; K124-D127 PolarHBondContact N-OD2 2.54Å; K124-D127 WeakPolarHBondContact O-CB 3.35Å; K124-D127 PolarHBondContact O-N 3.28Å; K124-E159 WeakPolarHBondContact CE-OE1 3.25Å; K124-E159 IonicContact NZ-OE1 2.97Å; K124-E159 PolarHBondContact NZ-OE1 3.5Å; K124-E159 IonicContact NZ-OE2 3.88Å; K124-E159 PolarHBondContact NZ-OE2 3.33Å
125V93Very high93.3Very high94 Ų9432 Ų3257%0.5717%0.17SC*.THydrogen-bonded Turntrans-61.2136.8170.2179.60000108.6V81 M83V81-V125 WeakPolarHBondContact O-CG1 3.34Å; M83-V125 HydrophobicContact CG-CG2 4.21Å
126G93.2Very high93.3Very high32 Ų3236.3 Ų36.333%0.3320%0.198SC..THydrogen-bonded Turntrans91.3-13.4-174.500000114.8V80 K124V80-G126 PolarHBondContact O-N 3.2Å; K124-G126 PolarHBondContact O-N 3.03Å
127D94.1Very high93.3Very high3 Ų336.1 Ų36.12%0.01620%0.197CC..  trans-64.5148171.9-78.5-20.2000110.8V79 V80 V123 K124 V148 K150 A151V79-D127 WeakPolarHBondContact CA-O 3.1Å; V80-D127 PolarHBondContact N-O 2.77Å; V123-D127 HydrophobicContact CG1-CB 4.09Å; K124-D127 PolarHBondContact N-OD2 2.54Å; K124-D127 WeakPolarHBondContact O-CB 3.35Å; K124-D127 PolarHBondContact O-N 3.28Å; D127-V148 HydrophobicContact CB-CG1 4.28Å; D127-K150 WeakPolarHBondContact OD1-CA 3.26Å; D127-K150 IonicContact OD2-NZ 2.84Å; D127-K150 PolarHBondContact OD2-NZ 3.45Å; D127-A151 PolarHBondContact OD1-N 3.07Å
128T95.6Very high93.4Very high49 Ų4938.5 Ų38.530%0.30122%0.217SC..EExtended strand (participates in β ladder)trans-91.3126.8171.7-61.50000109I149T128-I149 PolarHBondContact N-O 2.9Å; T128-I149 CarbonylContact O-C 3.59Å; T128-I149 WeakPolarHBondContact O-CA 3.42Å; T128-I149 WeakPolarHBondContact O-CB 3.33Å; T128-I149 PolarHBondContact O-N 2.9Å
129V96.1Very high93.6Very high0 Ų048.3 Ų48.30%026%0.258CS..EExtended strand (participates in β ladder)trans-116.6141.6179.1-66.20000111S77 G78 V80 I89 I91 V123 V131 V145 V148S77-V129 WeakPolarHBondContact CA-O 3.39Å; G78-V129 PolarHBondContact N-O 3.45Å; G78-V129 WeakPolarHBondContact O-CG2 3.27Å; G78-V129 PolarHBondContact O-N 3.48Å; V80-V129 HydrophobicContact CG2-CB 4.39Å; V80-V129 HydrophobicContact CG2-CG1 3.62Å; V80-V129 HydrophobicContact CG2-CG2 3.85Å; I89-V129 HydrophobicContact CD1-CG1 4.4Å; I89-V129 HydrophobicContact CD1-CG2 4.3Å; I91-V129 HydrophobicContact CB-CG2 4.38Å; I91-V129 HydrophobicContact CG2-CG2 3.43Å; I91-V129 VanDerWaalsContact CG2-CG2 3.43Å; V123-V129 HydrophobicContact CG1-CG1 4.13Å; V129-V131 HydrophobicContact CB-CG1 4.42Å; V129-V131 HydrophobicContact CG2-CG1 3.97Å; V129-V145 HydrophobicContact CB-CG1 4.34Å; V129-V145 HydrophobicContact CG1-CG1 4.35Å; V129-V148 HydrophobicContact CG1-CG1 4.33Å; V129-V148 HydrophobicContact CG1-CG2 4.14Å
130I96.4Very high93.9Very high30 Ų3052.6 Ų52.615%0.15428%0.284CS..EExtended strand (participates in β ladder)trans-99.1124.1167.4-57.8-176.8000107.3F47 I75 L76 I146 K147 I149F47-I130 HydrophobicContact CE1-CD1 4.39Å; F47-I130 HydrophobicContact CE1-CG2 4.19Å; F47-I130 HydrophobicContact CZ-CG2 4.01Å; I75-I130 HydrophobicContact CG2-CG2 3.33Å; L76-I130 CarbonylContact O-C 3.55Å; L76-I130 WeakPolarHBondContact O-CA 3.36Å; I130-I146 PolarHBondContact O-N 2.99Å; I130-K147 HydrophobicContact CB-CB 4.18Å; I130-K147 HydrophobicContact CD1-CB 4.49Å; I130-K147 HydrophobicContact CD1-CD 4.21Å; I130-K147 PolarHBondContact N-O 3.21Å; I130-K147 PolarHBondContact O-N 2.94Å; I130-I149 HydrophobicContact CD1-CD1 4.09Å; I130-I149 HydrophobicContact CG1-CD1 4.25Å
131V96.8Very high94.1Very high0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-118.7141.6-176.6-51.30000109.2I75 L76 I91 V114 V129 Y143 N144 V145I75-V131 CarbonylContact C-O 3.26Å; I75-V131 WeakPolarHBondContact CA-O 3.47Å; L76-V131 HydrophobicContact CB-CG2 3.81Å; L76-V131 PolarHBondContact N-O 2.79Å; L76-V131 WeakPolarHBondContact O-CG2 3.34Å; L76-V131 PolarHBondContact O-N 2.98Å; I91-V131 HydrophobicContact CD1-CG1 3.95Å; I91-V131 HydrophobicContact CD1-CG2 3.8Å; V114-V131 HydrophobicContact CB-CG1 4.42Å; V114-V131 HydrophobicContact CG1-CB 3.99Å; V114-V131 HydrophobicContact CG1-CG1 3.62Å; V114-V131 HydrophobicContact CG2-CG1 4.14Å; V129-V131 HydrophobicContact CB-CG1 4.42Å; V129-V131 HydrophobicContact CG2-CG1 3.97Å; V131-Y143 HydrophobicContact CG2-CD1 3.92Å; V131-Y143 HydrophobicContact CG2-CG 4.34Å; V131-N144 CarbonylContact C-O 3.48Å; V131-N144 WeakPolarHBondContact CA-O 3.15Å; V131-N144 WeakPolarHBondContact CB-O 3.35Å; V131-V145 HydrophobicContact CG1-CG2 4.22Å
132G96.7Very high94.8Very high0 Ų050.9 Ų50.90%028%0.281CS..EExtended strand (participates in β ladder)trans-111.4143.5171.600000110.9Y143 N144G132-Y143 CarbonylContact O-C 3.58Å; G132-Y143 VanDerWaalsContact O-CA 3.32Å; G132-Y143 WeakPolarHBondContact O-CA 3.48Å; G132-N144 PolarHBondContact N-O 3.24Å; G132-N144 PolarHBondContact O-N 3.29Å
133E97.1Very high95.3Very high58 Ų5848.8 Ų48.827%0.27127%0.267SS..EExtended strand (participates in β ladder)trans-63.9146.6170.9175.8175.4-170.900110.7I71 R72 R74 Y143I71-E133 CarbonylContact C-O 3.52Å; I71-E133 WeakPolarHBondContact CA-O 3.42Å; R72-E133 PolarHBondContact N-O 2.94Å; R72-E133 CarbonylContact O-C 3.53Å; R72-E133 VanDerWaalsContact O-C 3.26Å; R72-E133 WeakPolarHBondContact O-CB 3.17Å; R72-E133 WeakPolarHBondContact O-CG 3.45Å; R74-E133 PolarHBondContact N-OE2 2.96Å; R74-E133 WeakPolarHBondContact O-CB 3.37Å; R74-E133 PolarHBondContact O-N 2.92Å; E133-Y143 HydrophobicContact CB-CD1 3.94Å; E133-Y143 HydrophobicContact CB-CE1 3.46Å; E133-Y143 VanDerWaalsContact CB-CE1 3.46Å; E133-Y143 HydrophobicContact CG-CE1 4.27Å
134C95.7Very high95.6Very high2 Ų248.2 Ų48.21%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-145.9-178.4177.963.40000109.5V69 S70 I71 A142V69-C134 HydrophobicContact CG1-CB 3.68Å; S70-C134 WeakPolarHBondContact O-CB 3.4Å; I71-C134 HydrophobicContact CD1-CB 4.24Å; C134-A142 PolarHBondContact N-O 3.28Å; C134-A142 PolarHBondContact SG-O 3.04Å
135R95.1Very high95.8Very high102 Ų10244 Ų4439%0.38525%0.245SC..SBendtrans-59.2152167.670.3175.1-175.9-89.9-1.9109.9N68 L137N68-R135 PolarHBondContact O-NH1 3.49Å; R135-L137 HydrophobicContact CG-CD2 4.37Å; R135-L137 PolarHBondContact O-N 3.46Å; R135-L137 VanDerWaalsContact O-N 3.12Å
136P96.7Very high95.9Very high94 Ų9439.7 Ų39.761%0.6122%0.219SC*.  trans-52.9121.4172.1-25.534.8000111.2
137L94.3Very high96Very high22 Ų2243 Ų4312%0.11522%0.224CC..SBendtrans-96.4-20.9177.7-60.1178.2000112.3K62 V69 H115 R135 V141K62-L137 HydrophobicContact CB-CD1 4.19Å; K62-L137 HydrophobicContact CB-CD2 4.44Å; K62-L137 HydrophobicContact CD-CB 4.25Å; K62-L137 HydrophobicContact CG-CD2 4.31Å; K62-L137 PolarHBondContact NZ-O 3.5Å; V69-L137 HydrophobicContact CG1-CD2 4.3Å; V69-L137 HydrophobicContact CG2-CD2 3.83Å; H115-L137 HydrophobicContact CB-CD1 3.76Å; R135-L137 HydrophobicContact CG-CD2 4.37Å; R135-L137 PolarHBondContact O-N 3.46Å; R135-L137 VanDerWaalsContact O-N 3.12Å; L137-V141 HydrophobicContact CB-CG1 4.33Å; L137-V141 HydrophobicContact CD1-CG1 4.4Å; L137-V141 PolarHBondContact N-O 2.89Å
138A95.7Very high96Very high50 Ų5044.2 Ų44.241%0.41323%0.231SC..SBendtrans-160.1179.9173.600000108.9T140 V141A138-T140 PolarHBondContact O-N 3.01Å; A138-V141 HydrophobicContact CB-CB 4.1Å; A138-V141 HydrophobicContact CB-CG2 4.24Å; A138-V141 PolarHBondContact N-O 3.4Å; A138-V141 PolarHBondContact O-N 3.2Å
139K95.8Very high95.9Very high216 Ų21645.4 Ų45.494%0.93924%0.235SC*.SBendtrans-52.3-39.9179.9-174.5175.5-179.3176.80113.5
140T96.3Very high95.6Very high92 Ų9248.2 Ų48.256%0.56425%0.247SC*.SBendtrans-114.1-4.6-175.2560000113.7A138A138-T140 PolarHBondContact O-N 3.01Å
141V97Very high95.1Very high6 Ų648 Ų484%0.03625%0.25CS..EExtended strand (participates in β ladder)trans-111.9100.8-171.3-1750000109.5T88 H115 L137 A138T88-V141 HydrophobicContact CG2-CG2 4Å; H115-V141 HydrophobicContact CB-CG1 3.81Å; L137-V141 HydrophobicContact CB-CG1 4.33Å; L137-V141 HydrophobicContact CD1-CG1 4.4Å; L137-V141 PolarHBondContact N-O 2.89Å; A138-V141 HydrophobicContact CB-CB 4.1Å; A138-V141 HydrophobicContact CB-CG2 4.24Å; A138-V141 PolarHBondContact N-O 3.4Å; A138-V141 PolarHBondContact O-N 3.2Å
142A96.5Very high94.3Very high32 Ų3254.5 Ų54.526%0.26429%0.293SS..EExtended strand (participates in β ladder)trans-118.45.9175.300000112.8C134C134-A142 PolarHBondContact N-O 3.28Å; C134-A142 PolarHBondContact SG-O 3.04Å
143Y97.7Very high93.3Very high41 Ų4157.8 Ų57.816%0.16133%0.326CS..EExtended strand (participates in β ladder)trans-126149-178.9-71.2-89.7000110.5L76 V114 H115 V131 G132 E133L76-Y143 HydrophobicContact CD1-CD1 4.15Å; L76-Y143 HydrophobicContact CD1-CE1 3.35Å; L76-Y143 HydrophobicContact CD1-CE2 4.43Å; L76-Y143 HydrophobicContact CG-CE1 4Å; V114-Y143 WeakPolarHBondContact CG1-O 2.99Å; H115-Y143 PolarHBondContact N-O 2.93Å; V131-Y143 HydrophobicContact CG2-CD1 3.92Å; V131-Y143 HydrophobicContact CG2-CG 4.34Å; G132-Y143 CarbonylContact O-C 3.58Å; G132-Y143 VanDerWaalsContact O-CA 3.32Å; G132-Y143 WeakPolarHBondContact O-CA 3.48Å; E133-Y143 HydrophobicContact CB-CD1 3.94Å; E133-Y143 HydrophobicContact CB-CE1 3.46Å; E133-Y143 VanDerWaalsContact CB-CE1 3.46Å; E133-Y143 HydrophobicContact CG-CE1 4.27Å
144N96.3Very high91.8Very high0 Ų057.1 Ų57.10%033%0.328CS..EExtended strand (participates in β ladder)trans-124.7145.2174-148.2-51.3000110.6K62 P64 I71 H115 S117 V131 G132K62-N144 PolarHBondContact O-ND2 2.86Å; P64-N144 HydrophobicContact CG-CB 4.49Å; I71-N144 HydrophobicContact CD1-CB 3.94Å; H115-N144 PolarHBondContact CD2-ND2 2.84Å; H115-N144 VanDerWaalsContact CD2-ND2 3.34Å; H115-N144 PolarHBondContact O-OD1 2.81Å; S117-N144 PolarHBondContact OG-OD1 2.89Å; S117-N144 VanDerWaalsContact OG-OD1 3.13Å; V131-N144 CarbonylContact C-O 3.48Å; V131-N144 WeakPolarHBondContact CA-O 3.15Å; V131-N144 WeakPolarHBondContact CB-O 3.35Å; G132-N144 PolarHBondContact N-O 3.24Å; G132-N144 PolarHBondContact O-N 3.29Å
145V96.5Very high90.2Very high0 Ų066.3 Ų66.30%037%0.368CS..EExtended strand (participates in β ladder)trans-70.9130173.1-179.80000109.7I89 V114 H115 L116 F120 V129 V131 V148I89-V145 HydrophobicContact CD1-CG2 3.73Å; I89-V145 HydrophobicContact CG1-CG2 4.32Å; V114-V145 HydrophobicContact CG1-CG2 3.72Å; H115-V145 PolarHBondContact O-N 2.76Å; L116-V145 HydrophobicContact CD1-CB 4.05Å; L116-V145 HydrophobicContact CD1-CG1 4.2Å; L116-V145 HydrophobicContact CD1-CG2 3.81Å; F120-V145 HydrophobicContact CD2-CB 4.25Å; F120-V145 HydrophobicContact CD2-CG1 3.9Å; F120-V145 HydrophobicContact CE2-CB 4.32Å; F120-V145 HydrophobicContact CE2-CG1 3.98Å; F120-V145 WeakPolarHBondContact CE2-O 3.43Å; F120-V145 HydrophobicContact CG-CG1 4.45Å; V129-V145 HydrophobicContact CB-CG1 4.34Å; V129-V145 HydrophobicContact CG1-CG1 4.35Å; V131-V145 HydrophobicContact CG1-CG2 4.22Å; V145-V148 HydrophobicContact CG1-CG2 3.9Å
146I95Very high88.6Confident4 Ų471 Ų712%0.02139%0.391CS..EExtended strand (participates in β ladder)trans-111-38.1178.3-56175.4000111.1I43 F47 F65 I71 F120 I130I43-I146 HydrophobicContact CD1-CG2 4.24Å; F47-I146 HydrophobicContact CB-CG2 3.7Å; F47-I146 HydrophobicContact CD1-CG2 3.7Å; F47-I146 HydrophobicContact CD2-CG2 3.59Å; F47-I146 HydrophobicContact CE1-CG2 4.2Å; F47-I146 HydrophobicContact CE2-CD1 4.47Å; F47-I146 HydrophobicContact CE2-CG2 4.11Å; F47-I146 HydrophobicContact CG-CG2 3.36Å; F47-I146 HydrophobicContact CZ-CG2 4.39Å; F65-I146 HydrophobicContact CZ-CG2 4.42Å; I71-I146 HydrophobicContact CB-CD1 4.39Å; I71-I146 HydrophobicContact CD1-CD1 4.31Å; I71-I146 HydrophobicContact CD1-CG1 4.39Å; I71-I146 HydrophobicContact CG1-CD1 3.94Å; I71-I146 HydrophobicContact CG1-CG1 4.28Å; I71-I146 HydrophobicContact CG2-CD1 3.72Å; F120-I146 WeakPolarHBondContact CZ-O 3.18Å; I130-I146 PolarHBondContact O-N 2.99Å
147K94.5Very high87Confident103 Ų10369.9 Ų69.945%0.44839%0.39SS..EExtended strand (participates in β ladder)trans-145140.4-179178.9176.1175.9-174.90109.8F47 I130F47-K147 HydrophobicContact CD1-CB 4.05Å; F47-K147 HydrophobicContact CD1-CD 4.22Å; F47-K147 HydrophobicContact CE1-CB 4.11Å; F47-K147 HydrophobicContact CE1-CD 4.22Å; I130-K147 HydrophobicContact CB-CB 4.18Å; I130-K147 HydrophobicContact CD1-CB 4.49Å; I130-K147 HydrophobicContact CD1-CD 4.21Å; I130-K147 PolarHBondContact N-O 3.21Å; I130-K147 PolarHBondContact O-N 2.94Å
148V94.2Very high85.6Confident27 Ų2776.7 Ų76.716%0.16442%0.419CS..EExtended strand (participates in β ladder)trans-110.3130.9175.2-1780000107.7F120 V123 D127 V129 V145F120-V148 HydrophobicContact CB-CG2 4.06Å; F120-V148 HydrophobicContact CD1-CG2 3.67Å; F120-V148 HydrophobicContact CE1-CG2 4.28Å; F120-V148 HydrophobicContact CG-CG2 3.87Å; V123-V148 HydrophobicContact CB-CG1 4.5Å; V123-V148 HydrophobicContact CG1-CG1 3.94Å; V123-V148 HydrophobicContact CG1-CG2 4.39Å; V123-V148 HydrophobicContact CG2-CB 4.41Å; V123-V148 HydrophobicContact CG2-CG1 4.06Å; V123-V148 HydrophobicContact CG2-CG2 3.58Å; D127-V148 HydrophobicContact CB-CG1 4.28Å; V129-V148 HydrophobicContact CG1-CG1 4.33Å; V129-V148 HydrophobicContact CG1-CG2 4.14Å; V145-V148 HydrophobicContact CG1-CG2 3.9Å
149I93.3Very high84.2Confident75 Ų7580.9 Ų80.939%0.38543%0.43SS..EExtended strand (participates in β ladder)trans-112.6113.8173.3-58.8170.9000106.1T128 I130T128-I149 PolarHBondContact N-O 2.9Å; T128-I149 CarbonylContact O-C 3.59Å; T128-I149 WeakPolarHBondContact O-CA 3.42Å; T128-I149 WeakPolarHBondContact O-CB 3.33Å; T128-I149 PolarHBondContact O-N 2.9Å; I130-I149 HydrophobicContact CD1-CD1 4.09Å; I130-I149 HydrophobicContact CG1-CD1 4.25Å
150K90.5Very high82.1Confident58 Ų5879 Ų7925%0.25242%0.422SS..PPolyproline II helixtrans-62.7137.2179.6-68.4-68.8167.6-157.60111.4D122 D127D122-K150 PolarHBondContact O-NZ 3.49Å; D122-K150 WeakPolarHBondContact OD2-CE 2.9Å; D122-K150 IonicContact OD2-NZ 2.91Å; D122-K150 PolarHBondContact OD2-NZ 3.1Å; D127-K150 WeakPolarHBondContact OD1-CA 3.26Å; D127-K150 IonicContact OD2-NZ 2.84Å; D127-K150 PolarHBondContact OD2-NZ 3.45Å
151A85.7Confident80Confident26 Ų2685.8 Ų85.822%0.21544%0.444CS..PPolyproline II helixtrans-58.1143.4173.500000111.2D127 G153 S154D127-A151 PolarHBondContact OD1-N 3.07Å; A151-G153 PolarHBondContact O-N 3.46Å; A151-S154 PolarHBondContact O-N 3.15Å; A151-S154 PolarHBondContact O-OG 3.08Å
152P80.5Confident79.2Confident137 Ų13789.8 Ų89.889%0.8946%0.464SS*.THydrogen-bonded Turntrans-56.8130.8174.125.1-32.9000109.8
153G74.8Confident78.3Confident68 Ų6892.8 Ų92.870%0.70148%0.475SS*.THydrogen-bonded Turntrans99.8-22.4-179.400000116A151 K155A151-G153 PolarHBondContact O-N 3.46Å; G153-K155 PolarHBondContact O-N 3.34Å
154S65.7Low77.2Confident44 Ų4495.7 Ų95.731%0.30849%0.492SS..G310 helixtrans-72.2-23.2-177.359.40000114.7A151 K156A151-S154 PolarHBondContact O-N 3.15Å; A151-S154 PolarHBondContact O-OG 3.08Å; S154-K156 PolarHBondContact O-N 2.73Å
155K62.7Low76.1Confident195 Ų195101.4 Ų101.485%0.84852%0.521SS*.G310 helixtrans-62-15.7-178-72.3-175.3-179.3177.80114.1G153G153-K155 PolarHBondContact O-N 3.34Å
156K61.7Low74.8Confident200 Ų200107.7 Ų107.787%0.8755%0.554SS**G310 helixtrans-128.80.2-173.9-65.6-171.4176.4-176.50114.6S154 F158S154-K156 PolarHBondContact O-N 2.73Å; K156-F158 PolarHBondContact O-N 3.3Å
157A62.3Low73.4Confident72 Ų72114.6 Ų114.660%0.59559%0.589SS**  trans-75.9110.6178.600000109.5E159A157-E159 PolarHBondContact O-N 3.02Å
158F64.5Low71.9Confident165 Ų165115.4 Ų115.472%0.72460%0.599SS**PPolyproline II helixtrans-65120.2165.9180-95000108.3K156 K160K156-F158 PolarHBondContact O-N 3.3Å; F158-K160 PolarHBondContact O-N 3.4Å
159E65.8Low70.2Confident137 Ų137122.2 Ų122.264%0.6463%0.633SS**PPolyproline II helixtrans-80.2116.3172.4-75.6-179.314200108.6K124 A157 F161K124-E159 WeakPolarHBondContact CE-OE1 3.25Å; K124-E159 IonicContact NZ-OE1 2.97Å; K124-E159 PolarHBondContact NZ-OE1 3.5Å; K124-E159 IonicContact NZ-OE2 3.88Å; K124-E159 PolarHBondContact NZ-OE2 3.33Å; A157-E159 PolarHBondContact O-N 3.02Å; E159-F161 PolarHBondContact O-N 3.28Å
160K51.6Low68.3Low177 Ų177126.2 Ų126.277%0.7765%0.653SS**PPolyproline II helixtrans-79.8116178.4-161.1176.1-174.6-175.80108.2F158F158-K160 PolarHBondContact O-N 3.4Å
161F53.9Low66.3Low235 Ų235132.4 Ų132.4100%1.03169%0.69SS**  trans22.30166.2-51.8-75.7000118.1E159E159-F161 PolarHBondContact O-N 3.28Å

Retrieved 161 of 161 residues in 42.2 ms (Link to these results)