A0A087WVU1_HUMAN Loading...

Neural cell adhesion molecule 1

AlphaFold DB , UniProt , Accession A0A087WVU1, Species HUMAN (Homo sapiens, Human), Gene NCAM1, Length 305 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
1Y45.9Very low73.7Confident277 Ų277130.8 Ų130.8100%1.08669%0.686SS**  0106.90-79.5-92.9000106.6
2N57.3Low74.9Confident173 Ų173129.9 Ų129.993%0.92569%0.69SS**  trans-91.893.4173.2-92.2-21.6000107
3T61.6Low75.7Confident116 Ų116124.8 Ų124.871%0.71267%0.668SS**  trans-81130.1164.640.50000107.9S5T3-S5 PolarHBondContact O-N 3.42Å
4P64.3Low76.6Confident116 Ų116126.6 Ų126.675%0.75368%0.678SS**  trans-59.9128.6173.624-31000109.1A6P4-A6 PolarHBondContact O-N 3.14Å
5S74.1Confident77.4Confident68 Ų68121.5 Ų121.548%0.47666%0.656SS.*SBendtrans-76.6-1.3-177.848.80000113.6T3 C305T3-S5 PolarHBondContact O-N 3.42Å; S5-C305 VanDerWaalsContact CA-O 3.25Å; S5-C305 WeakPolarHBondContact CA-O 3.42Å; S5-C305 WeakPolarHBondContact CB-O 3.24Å
6A78.6Confident78.1Confident44 Ų44123.4 Ų123.436%0.36466%0.659SS.*  trans-150.5148.6179.600000111.9P4 Y8P4-A6 PolarHBondContact O-N 3.14Å; A6-Y8 HydrophobicContact CB-CE1 4.45Å; A6-Y8 HydrophobicContact CB-CE2 3.7Å; A6-Y8 WeakPolarHBondContact CB-OH 3.45Å
7S83.5Confident78.7Confident105 Ų105124.7 Ų124.773%0.73467%0.666SS**  trans-125.7141.5168.4-173.40000108.3
8Y85.2Confident79.3Confident208 Ų208120 Ų12082%0.81664%0.641SS**  trans-124.5140.1-175.4-55.8-87.2000110A6A6-Y8 HydrophobicContact CB-CE1 4.45Å; A6-Y8 HydrophobicContact CB-CE2 3.7Å; A6-Y8 WeakPolarHBondContact CB-OH 3.45Å
9L85.1Confident79.8Confident102 Ų102117.1 Ų117.153%0.53462%0.623SS.*  trans-115.1121.8168.8178.567.2000107.9V11 Y22 F37L9-V11 HydrophobicContact CD1-CG2 4.41Å; L9-V11 HydrophobicContact CD2-CG2 3.89Å; L9-V11 HydrophobicContact CG-CG2 3.83Å; L9-Y22 HydrophobicContact CD2-CD1 3.55Å; L9-Y22 HydrophobicContact CD2-CE1 4Å; L9-Y22 HydrophobicContact CD2-CG 4.1Å; L9-F37 HydrophobicContact CD2-CE2 3.89Å; L9-F37 HydrophobicContact CD2-CZ 3.7Å
10E88.9Confident80.4Confident181 Ų181112.5 Ų112.585%0.84660%0.604SS**  trans-107.2121.1172.2-174172.9-162.400108
11V86.3Confident81Confident49 Ų49111.6 Ų111.630%0.29760%0.599SS.*  trans-114.7124.5178.3-173.20000107.4L9 P13 D18 Y22 L39L9-V11 HydrophobicContact CD1-CG2 4.41Å; L9-V11 HydrophobicContact CD2-CG2 3.89Å; L9-V11 HydrophobicContact CG-CG2 3.83Å; V11-P13 HydrophobicContact CG1-CG 4.25Å; V11-P13 WeakPolarHBondContact O-CD 3.4Å; V11-D18 HydrophobicContact CG1-CB 4.43Å; V11-Y22 HydrophobicContact CG2-CE1 4.34Å; V11-L39 HydrophobicContact CB-CD2 4.11Å; V11-L39 HydrophobicContact CG1-CD2 3.85Å; V11-L39 HydrophobicContact CG2-CD2 4.39Å
12T88.5Confident83.2Confident120 Ų120101.1 Ų101.174%0.73656%0.558SS**  trans-109.193.5168.3-56.90000106.7D14T12-D14 PolarHBondContact O-N 2.95Å
13P85Confident84.8Confident63 Ų6397.5 Ų97.541%0.40954%0.539SS..  trans-62.8126.5-173.5-19.631.3000111.1V11 D18 F19V11-P13 HydrophobicContact CG1-CG 4.25Å; V11-P13 WeakPolarHBondContact O-CD 3.4Å; P13-D18 WeakPolarHBondContact CA-OD2 3.42Å; P13-D18 HydrophobicContact CB-CB 4.1Å; P13-F19 HydrophobicContact CB-CE2 4.04Å; P13-F19 HydrophobicContact CB-CZ 3.8Å; P13-F19 HydrophobicContact CG-CE1 4.4Å; P13-F19 HydrophobicContact CG-CZ 4.1Å
14D87.8Confident86.2Confident151 Ų15195.1 Ų95.181%0.80753%0.526SS*.  trans-117.3-10.2172.971.910000112.7T12 D18T12-D14 PolarHBondContact O-N 2.95Å; D14-D18 PolarHBondContact N-OD2 2.99Å
15S89.5Confident87.4Confident49 Ų4992.7 Ų92.734%0.34351%0.509SS..SBendtrans-144.5158.7-178.3-177.50000112.2N17 D18S15-N17 PolarHBondContact O-N 2.95Å; S15-N17 PolarHBondContact OG-N 2.87Å; S15-D18 PolarHBondContact N-OD2 3.02Å; S15-D18 WeakPolarHBondContact O-CB 3.18Å; S15-D18 PolarHBondContact O-N 3.41Å; S15-D18 VanDerWaalsContact O-N 3.13Å
16E87.4Confident88.2Confident152 Ų15292.6 Ų92.671%0.7151%0.512SS*.G310 helixtrans-61.3-22.8172.9-69.5-173.6163.300112.6D18 F19E16-D18 PolarHBondContact O-N 3.49Å; E16-F19 PolarHBondContact O-N 3.15Å
17N89.1Confident88.8Confident146 Ų14695.4 Ų95.478%0.78153%0.525SS*.G310 helixtrans-72.2-13.5177.8-66.1-30.3000113.8S15S15-N17 PolarHBondContact O-N 2.95Å; S15-N17 PolarHBondContact OG-N 2.87Å
18D88.7Confident89Confident40 Ų4095.6 Ų95.621%0.21452%0.518CS..G310 helixtrans-79.6-7.8175-58.5-40.5000111.9V11 P13 D14 S15 E16 Y22V11-D18 HydrophobicContact CG1-CB 4.43Å; P13-D18 WeakPolarHBondContact CA-OD2 3.42Å; P13-D18 HydrophobicContact CB-CB 4.1Å; D14-D18 PolarHBondContact N-OD2 2.99Å; S15-D18 PolarHBondContact N-OD2 3.02Å; S15-D18 WeakPolarHBondContact O-CB 3.18Å; S15-D18 PolarHBondContact O-N 3.41Å; S15-D18 VanDerWaalsContact O-N 3.13Å; E16-D18 PolarHBondContact O-N 3.49Å; D18-Y22 WeakPolarHBondContact O-CE2 3.38Å; D18-Y22 PolarHBondContact O-OH 3.26Å
19F90.4Very high89.4Confident65 Ų6597.3 Ų97.329%0.28552%0.523SS..SBendtrans-94.3142174.1-60.3-83.6000110.1P13 E16 L39 Q41P13-F19 HydrophobicContact CB-CE2 4.04Å; P13-F19 HydrophobicContact CB-CZ 3.8Å; P13-F19 HydrophobicContact CG-CE1 4.4Å; P13-F19 HydrophobicContact CG-CZ 4.1Å; E16-F19 PolarHBondContact O-N 3.15Å; F19-L39 HydrophobicContact CD1-CG 4.08Å; F19-L39 HydrophobicContact CE1-CG 4.47Å; F19-Q41 HydrophobicContact CD1-CB 3.98Å; F19-Q41 HydrophobicContact CE1-CB 3.9Å; F19-Q41 HydrophobicContact CE1-CG 4.23Å; F19-Q41 HydrophobicContact CE2-CG 4.46Å; F19-Q41 HydrophobicContact CG-CB 4.34Å; F19-Q41 HydrophobicContact CZ-CB 4.19Å; F19-Q41 HydrophobicContact CZ-CG 4.08Å
20G90.6Very high89.7Confident25 Ų2599.4 Ų99.426%0.25853%0.533SS..EExtended strand (participates in β ladder)trans137.3-157.7-178.500000113.2Y22 I38 L39G20-Y22 WeakPolarHBondContact O-CD2 3.15Å; G20-I38 WeakPolarHBondContact O-CA 3.4Å; G20-L39 PolarHBondContact N-O 3.4Å; G20-L39 PolarHBondContact O-N 2.73Å
21N93.4Very high89.9Confident94 Ų9492.6 Ų92.650%0.50351%0.511SS..EExtended strand (participates in β ladder)trans-88.2129.8-171-62.515.7000110.9E36 F37 I38N21-E36 HydrophobicContact CB-CG 4.25Å; N21-E36 WeakPolarHBondContact CB-OE1 3.38Å; N21-E36 PolarHBondContact ND2-OE1 2.82Å; N21-F37 WeakPolarHBondContact CA-O 3.17Å; N21-I38 WeakPolarHBondContact OD1-CG1 3.24Å
22Y91.4Very high90.3Very high57 Ų5796.6 Ų96.622%0.22453%0.527CS..EExtended strand (participates in β ladder)trans-116.4138.9173.5-71.2-92.8000109L9 V11 D18 G20 E36 F37 L39L9-Y22 HydrophobicContact CD2-CD1 3.55Å; L9-Y22 HydrophobicContact CD2-CE1 4Å; L9-Y22 HydrophobicContact CD2-CG 4.1Å; V11-Y22 HydrophobicContact CG2-CE1 4.34Å; D18-Y22 WeakPolarHBondContact O-CE2 3.38Å; D18-Y22 PolarHBondContact O-OH 3.26Å; G20-Y22 WeakPolarHBondContact O-CD2 3.15Å; Y22-E36 CarbonylContact O-C 3.59Å; Y22-E36 WeakPolarHBondContact O-CA 3.36Å; Y22-F37 HydrophobicContact CD2-CE2 4.24Å; Y22-F37 HydrophobicContact CG-CD2 4.41Å; Y22-F37 AromaticContact CG-CE2 3.81Å; Y22-F37 HydrophobicContact CG-CE2 3.81Å; Y22-F37 HydrophobicContact CG-CZ 4.21Å; Y22-F37 PolarHBondContact N-O 2.97Å; Y22-F37 WeakPolarHBondContact O-CD1 3.27Å; Y22-F37 PolarHBondContact O-N 3.05Å; Y22-L39 HydrophobicContact CD2-CB 4.03Å; Y22-L39 HydrophobicContact CE2-CB 3.72Å; Y22-L39 HydrophobicContact CE2-CD2 4.07Å
23N91.8Very high90.5Very high97 Ų9798.3 Ų98.352%0.51953%0.526SS..EExtended strand (participates in β ladder)trans-115.3123.3177.2-85.2-58.5000110.1E36N23-E36 VanDerWaalsContact OD1-CA 3.3Å; N23-E36 WeakPolarHBondContact OD1-CA 3.35Å; N23-E36 VanDerWaalsContact OD1-CB 3.28Å; N23-E36 WeakPolarHBondContact OD1-CB 3.28Å
24C90Very high90.8Very high65 Ų6598.1 Ų98.144%0.43953%0.527SS..EExtended strand (participates in β ladder)trans-92.9112.6167.4-174.90000108.4S34 L35 F37C24-S34 CarbonylContact O-C 3.56Å; C24-S34 VanDerWaalsContact O-CA 3.23Å; C24-S34 WeakPolarHBondContact O-CA 3.22Å; C24-L35 PolarHBondContact N-O 2.89Å; C24-L35 PolarHBondContact O-N 2.82Å; C24-F37 HydrophobicContact CB-CE1 4.06Å
25T90.6Very high91Very high66 Ų6696.8 Ų96.841%0.40552%0.519SS..EExtended strand (participates in β ladder)trans-111120.9-178.6-63.90000110.4V27 Q32 E33 S34T25-V27 HydrophobicContact CG2-CG2 3.79Å; T25-Q32 HydrophobicContact CG2-CG 3.59Å; T25-E33 CarbonylContact C-O 3.56Å; T25-E33 WeakPolarHBondContact CA-O 3.13Å; T25-S34 WeakPolarHBondContact CB-OG 3.49Å; T25-S34 WeakPolarHBondContact CG2-OG 3.45Å; T25-S34 PolarHBondContact OG1-OG 2.86Å
26A89.5Confident91.1Very high65 Ų6599.4 Ų99.454%0.53753%0.526SS..EExtended strand (participates in β ladder)trans-102.5130.1172.100000109.9Q32 E33A26-Q32 WeakPolarHBondContact O-CA 3.49Å; A26-E33 PolarHBondContact N-O 3.08Å; A26-E33 PolarHBondContact O-N 2.62Å
27V91.4Very high91.1Very high104 Ų10496.2 Ų96.263%0.6351%0.51SS*.EExtended strand (participates in β ladder)trans-127.6132.4-178.2-170.30000110.3T25 Q32T25-V27 HydrophobicContact CG2-CG2 3.79Å; V27-Q32 HydrophobicContact CG1-CB 4.46Å; V27-Q32 HydrophobicContact CG2-CB 4.17Å; V27-Q32 HydrophobicContact CG2-CG 3.94Å
28N88.8Confident91.1Very high108 Ų10894.2 Ų94.258%0.57850%0.498SS*.  trans-133.1-179.217071.629.8000110.9I30 G31N28-I30 PolarHBondContact O-N 2.65Å; N28-I30 VanDerWaalsContact O-N 3.12Å; N28-I30 WeakPolarHBondContact OD1-CA 3.33Å; N28-I30 VanDerWaalsContact OD1-CB 3.31Å; N28-I30 WeakPolarHBondContact OD1-CB 3.39Å; N28-I30 PolarHBondContact OD1-N 2.8Å; N28-G31 PolarHBondContact N-O 3.11Å; N28-G31 PolarHBondContact O-N 2.97Å; N28-G31 PolarHBondContact OD1-N 3Å; N28-G31 PolarHBondContact OD1-O 2.89Å
29R93Very high91.1Very high244 Ų24494.9 Ų94.992%0.92150%0.501SS*.SBendtrans-64.8-12.7-179.467.8179.7178.2179.3-0.9115.1
30I92.4Very high91Very high147 Ų14796.6 Ų96.675%0.75452%0.517SS*.SBendtrans-100.6-30.8-177.8-52.7-58.9000110.8N28N28-I30 PolarHBondContact O-N 2.65Å; N28-I30 VanDerWaalsContact O-N 3.12Å; N28-I30 WeakPolarHBondContact OD1-CA 3.33Å; N28-I30 VanDerWaalsContact OD1-CB 3.31Å; N28-I30 WeakPolarHBondContact OD1-CB 3.39Å; N28-I30 PolarHBondContact OD1-N 2.8Å
31G92.1Very high90.9Very high38 Ų38100.9 Ų100.939%0.39253%0.53SS..  trans176.8-171.1179.800000114.7N28N28-G31 PolarHBondContact N-O 3.11Å; N28-G31 PolarHBondContact O-N 2.97Å; N28-G31 PolarHBondContact OD1-N 3Å; N28-G31 PolarHBondContact OD1-O 2.89Å
32Q94.3Very high90.7Very high132 Ų13297.7 Ų97.762%0.61752%0.516SS*.EExtended strand (participates in β ladder)trans-127.9137.3178.9169.9176.8-12.600109.3T25 A26 V27T25-Q32 HydrophobicContact CG2-CG 3.59Å; A26-Q32 WeakPolarHBondContact O-CA 3.49Å; V27-Q32 HydrophobicContact CG1-CB 4.46Å; V27-Q32 HydrophobicContact CG2-CB 4.17Å; V27-Q32 HydrophobicContact CG2-CG 3.94Å
33E93Very high90.8Very high156 Ų156100 Ų10073%0.72953%0.533SS*.EExtended strand (participates in β ladder)trans-127.3149.3171.7-170.2166.4-16400109.1T25 A26T25-E33 CarbonylContact C-O 3.56Å; T25-E33 WeakPolarHBondContact CA-O 3.13Å; A26-E33 PolarHBondContact N-O 3.08Å; A26-E33 PolarHBondContact O-N 2.62Å
34S91.8Very high90.9Very high60 Ų6097.8 Ų97.842%0.4252%0.523SS..EExtended strand (participates in β ladder)trans-142.8141.5-179.3-59.40000111.6C24 T25C24-S34 CarbonylContact O-C 3.56Å; C24-S34 VanDerWaalsContact O-CA 3.23Å; C24-S34 WeakPolarHBondContact O-CA 3.22Å; T25-S34 WeakPolarHBondContact CB-OG 3.49Å; T25-S34 WeakPolarHBondContact CG2-OG 3.45Å; T25-S34 PolarHBondContact OG1-OG 2.86Å
35L91.7Very high91.3Very high123 Ų12394.8 Ų94.864%0.64450%0.503SS*.EExtended strand (participates in β ladder)trans-122.5126.3174.8-175.267000109.4C24C24-L35 PolarHBondContact N-O 2.89Å; C24-L35 PolarHBondContact O-N 2.82Å
36E91.3Very high91.6Very high103 Ų10393.2 Ų93.248%0.48149%0.494SS..EExtended strand (participates in β ladder)trans-90.4141.4175.6-169.8176.9-125.800110.5N21 Y22 N23N21-E36 HydrophobicContact CB-CG 4.25Å; N21-E36 WeakPolarHBondContact CB-OE1 3.38Å; N21-E36 PolarHBondContact ND2-OE1 2.82Å; Y22-E36 CarbonylContact O-C 3.59Å; Y22-E36 WeakPolarHBondContact O-CA 3.36Å; N23-E36 VanDerWaalsContact OD1-CA 3.3Å; N23-E36 WeakPolarHBondContact OD1-CA 3.35Å; N23-E36 VanDerWaalsContact OD1-CB 3.28Å; N23-E36 WeakPolarHBondContact OD1-CB 3.28Å
37F88.4Confident92Very high86 Ų8692.2 Ų92.238%0.37748%0.483SS..EExtended strand (participates in β ladder)trans-139.9151.8168.453.9-83.2000110.1L9 N21 Y22 C24L9-F37 HydrophobicContact CD2-CE2 3.89Å; L9-F37 HydrophobicContact CD2-CZ 3.7Å; N21-F37 WeakPolarHBondContact CA-O 3.17Å; Y22-F37 HydrophobicContact CD2-CE2 4.24Å; Y22-F37 HydrophobicContact CG-CD2 4.41Å; Y22-F37 AromaticContact CG-CE2 3.81Å; Y22-F37 HydrophobicContact CG-CE2 3.81Å; Y22-F37 HydrophobicContact CG-CZ 4.21Å; Y22-F37 PolarHBondContact N-O 2.97Å; Y22-F37 WeakPolarHBondContact O-CD1 3.27Å; Y22-F37 PolarHBondContact O-N 3.05Å; C24-F37 HydrophobicContact CB-CE1 4.06Å
38I88.4Confident92.3Very high103 Ų10387.3 Ų87.353%0.52845%0.454SS..EExtended strand (participates in β ladder)trans-114.1123.1-175.3-51.3179.7000108.4G20 N21 V40G20-I38 WeakPolarHBondContact O-CA 3.4Å; N21-I38 WeakPolarHBondContact OD1-CG1 3.24Å; I38-V40 HydrophobicContact CG2-CG1 3.86Å
39L88.1Confident92.6Very high55 Ų5585 Ų8529%0.28845%0.446SS..EExtended strand (participates in β ladder)trans-90.3112.8169.7-174.959.6000108.7V11 F19 G20 Y22V11-L39 HydrophobicContact CB-CD2 4.11Å; V11-L39 HydrophobicContact CG1-CD2 3.85Å; V11-L39 HydrophobicContact CG2-CD2 4.39Å; F19-L39 HydrophobicContact CD1-CG 4.08Å; F19-L39 HydrophobicContact CE1-CG 4.47Å; G20-L39 PolarHBondContact N-O 3.4Å; G20-L39 PolarHBondContact O-N 2.73Å; Y22-L39 HydrophobicContact CD2-CB 4.03Å; Y22-L39 HydrophobicContact CE2-CB 3.72Å; Y22-L39 HydrophobicContact CE2-CD2 4.07Å
40V88.4Confident92.8Very high101 Ų10174.8 Ų74.861%0.61241%0.409SS*.  trans-104.1148.7179.5-63.10000111.1I38 A42I38-V40 HydrophobicContact CG2-CG1 3.86Å; V40-A42 PolarHBondContact O-N 3.44Å
41Q88.6Confident92.8Very high115 Ų11571.8 Ų71.854%0.53740%0.395SS..  trans-72.5123175-169.3176.815.200109.7F19F19-Q41 HydrophobicContact CD1-CB 3.98Å; F19-Q41 HydrophobicContact CE1-CB 3.9Å; F19-Q41 HydrophobicContact CE1-CG 4.23Å; F19-Q41 HydrophobicContact CE2-CG 4.46Å; F19-Q41 HydrophobicContact CG-CB 4.34Å; F19-Q41 HydrophobicContact CZ-CB 4.19Å; F19-Q41 HydrophobicContact CZ-CG 4.08Å
42A90.1Very high92.8Very high26 Ų2675 Ų7522%0.21540%0.4CS..  trans-72.9141.4172.100000110.6V40 G71 V73V40-A42 PolarHBondContact O-N 3.44Å; A42-G71 CarbonylContact C-O 3.56Å; A42-G71 WeakPolarHBondContact CA-O 3.42Å; A42-V73 HydrophobicContact CB-CG1 3.7Å; A42-V73 HydrophobicContact CB-CG2 4.02Å
43D92.3Very high92.9Very high105 Ų10569.6 Ų69.656%0.56138%0.376SS*.  trans-108.4170.5172.9-150.9-19.7000110.5G71 N125D43-G71 PolarHBondContact N-O 3.39Å; D43-G71 WeakPolarHBondContact O-CA 3.36Å; D43-N125 PolarHBondContact O-ND2 2.89Å
44T95.2Very high92.9Very high51 Ų5165.6 Ų65.631%0.31336%0.357SS..PPolyproline II helixtrans-73.3158167.959.30000111.1K127T44-K127 HydrophobicContact CG2-CB 4.4Å; T44-K127 HydrophobicContact CG2-CG 3.98Å
45P97.6Very high92.8Very high3 Ų364.3 Ų64.32%0.01935%0.347CS..PPolyproline II helixtrans-66.8154.5179.7-22.336.4000113.1P67 A69 I75 A123 N125 G130 E131P45-P67 HydrophobicContact CB-CB 4.38Å; P45-P67 HydrophobicContact CB-CG 4.28Å; P45-A69 CarbonylContact C-O 3.5Å; P45-A69 WeakPolarHBondContact CA-O 3.22Å; P45-I75 HydrophobicContact CB-CD1 3.58Å; P45-I75 HydrophobicContact CG-CD1 3.3Å; P45-A123 HydrophobicContact CB-CB 3.83Å; P45-A123 HydrophobicContact CG-CB 4.08Å; P45-N125 VanDerWaalsContact CD-CG 3.5Å; P45-N125 WeakPolarHBondContact CD-ND2 3.44Å; P45-N125 HydrophobicContact CG-CB 3.76Å; P45-G130 CarbonylContact O-C 3.58Å; P45-G130 WeakPolarHBondContact O-CA 3.45Å; P45-E131 PolarHBondContact O-N 3.19Å; P45-E131 VanDerWaalsContact O-N 3.07Å
46S97.8Very high92.6Very high32 Ų3261.9 Ų61.922%0.22433%0.33CS..PPolyproline II helixtrans-69.7172.6163.867.30000111.2P67 E68 A69S46-P67 VanDerWaalsContact O-CB 3.3Å; S46-P67 WeakPolarHBondContact O-CB 3.3Å; S46-P67 WeakPolarHBondContact O-CG 3.39Å; S46-P67 WeakPolarHBondContact OG-CB 3.46Å; S46-E68 PolarHBondContact OG-N 3.16Å; S46-A69 PolarHBondContact N-O 2.95Å; S46-A69 PolarHBondContact OG-N 2.94Å; S46-A69 PolarHBondContact OG-O 3.49Å
47S97.3Very high92.4Very high44 Ų4458.9 Ų58.931%0.30832%0.321SS..PPolyproline II helixtrans-69.2136.1178.160.70000111.9E131S47-E131 WeakPolarHBondContact CA-O 3.38Å
48P96.8Very high92.2Very high2 Ų257.4 Ų57.41%0.01332%0.321CS..PPolyproline II helixtrans-62.1155.2163.8-16.629.5000111.4F64 P67 Y78 L121 A123 S133P48-F64 HydrophobicContact CB-CD2 4.18Å; P48-P67 HydrophobicContact CG-CG 4.01Å; P48-Y78 HydrophobicContact CG-CD1 4.06Å; P48-Y78 HydrophobicContact CG-CE1 4.03Å; P48-L121 HydrophobicContact CB-CB 4.23Å; P48-L121 HydrophobicContact CG-CB 4.17Å; P48-A123 HydrophobicContact CG-CB 4.16Å; P48-S133 WeakPolarHBondContact O-CB 3.37Å
49S96.3Very high92.1Very high60 Ų6054.3 Ų54.342%0.4231%0.307SS..EExtended strand (participates in β ladder)trans-99.8130.8173.9178.50000110.3D51 F64 D65S49-D51 PolarHBondContact OG-OD1 3.5Å; S49-F64 CarbonylContact O-C 3.58Å; S49-F64 WeakPolarHBondContact O-CA 2.88Å; S49-F64 WeakPolarHBondContact O-CB 3.47Å; S49-D65 PolarHBondContact N-O 2.88Å; S49-D65 VanDerWaalsContact N-O 3.12Å; S49-D65 PolarHBondContact O-N 3.11Å
50I96.9Very high92.1Very high28 Ų2851.7 Ų51.714%0.14429%0.293CS..EExtended strand (participates in β ladder)trans-93.5115.4172.8-63.6171000108.1V53 V62 V119 L121 S133I50-V53 HydrophobicContact CG2-CG2 3.86Å; I50-V62 HydrophobicContact CD1-CG1 4.43Å; I50-V62 HydrophobicContact CG1-CG1 4.19Å; I50-V62 HydrophobicContact CG2-CG1 3.87Å; I50-V119 HydrophobicContact CD1-CG1 4.46Å; I50-L121 HydrophobicContact CD1-CD1 4.31Å; I50-L121 HydrophobicContact CD1-CG 4.07Å; I50-L121 HydrophobicContact CG1-CD1 3.76Å; I50-L121 HydrophobicContact CG1-CG 4.06Å; I50-S133 WeakPolarHBondContact CD1-OG 3.3Å
51D93.1Very high92.3Very high84 Ų8449.7 Ų49.745%0.44928%0.277SS..EExtended strand (participates in β ladder)trans-90-45.4-175.6-48.4-50.3000111.2S49 Q63 F64 D65S49-D51 PolarHBondContact OG-OD1 3.5Å; D51-Q63 PolarHBondContact N-O 2.84Å; D51-F64 VanDerWaalsContact OD2-C 3.28Å; D51-F64 WeakPolarHBondContact OD2-CA 3.36Å; D51-D65 PolarHBondContact OD2-N 2.88Å; D51-D65 VanDerWaalsContact OD2-N 3.15Å
52Q92.1Very high92.7Very high105 Ų10544.2 Ų44.249%0.49125%0.251SS..EExtended strand (participates in β ladder)trans-149.4144.1-179.3-171.4173.2-2.800111.6Q63Q52-Q63 HydrophobicContact CB-CB 4.3Å; Q52-Q63 PolarHBondContact N-O 3.29Å; Q52-Q63 PolarHBondContact O-N 3.41Å
53V95.9Very high92.9Very high19 Ų1946 Ų4612%0.11526%0.255CS..EExtended strand (participates in β ladder)trans-117118.2167.6-172.60000108.4I50 P55 A60 Q61 V62 V119 F138I50-V53 HydrophobicContact CG2-CG2 3.86Å; V53-P55 VanDerWaalsContact O-CD 3.31Å; V53-P55 WeakPolarHBondContact O-CD 3.42Å; V53-A60 HydrophobicContact CG1-CB 4.05Å; V53-Q61 CarbonylContact C-O 3.54Å; V53-Q61 WeakPolarHBondContact CA-O 3.41Å; V53-V62 HydrophobicContact CG1-CG2 4.21Å; V53-V62 HydrophobicContact CG2-CG1 4.33Å; V53-V62 HydrophobicContact CG2-CG2 4.4Å; V53-V119 HydrophobicContact CG2-CG1 3.88Å; V53-F138 HydrophobicContact CB-CB 4.29Å; V53-F138 HydrophobicContact CB-CD1 4.31Å; V53-F138 HydrophobicContact CB-CG 4.4Å; V53-F138 HydrophobicContact CG1-CB 4.04Å; V53-F138 HydrophobicContact CG1-CD1 3.58Å; V53-F138 HydrophobicContact CG1-CD2 4.21Å; V53-F138 HydrophobicContact CG1-CE1 4Å; V53-F138 HydrophobicContact CG1-CG 3.67Å; V53-F138 HydrophobicContact CG1-CZ 4.45Å
54E92.3Very high93.2Very high73 Ų7341.4 Ų41.434%0.34123%0.23SC..EExtended strand (participates in β ladder)trans-96.1108.5174.2-169.8174.7164.700109.7Y56 A60 Q61E54-Y56 HydrophobicContact CG-CE2 4.3Å; E54-Y56 PolarHBondContact OE1-OH 3.31Å; E54-A60 WeakPolarHBondContact O-CA 3.25Å; E54-Q61 HydrophobicContact CB-CB 4.43Å; E54-Q61 PolarHBondContact N-O 2.86Å; E54-Q61 PolarHBondContact O-N 2.79Å
55P89.6Confident93.1Very high32 Ų3243.6 Ų43.621%0.20824%0.24CC..EExtended strand (participates in β ladder)trans-89.9138-175.734.8-34.6000112.4V53 F138 K139 Q141V53-P55 VanDerWaalsContact O-CD 3.31Å; V53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-F138 HydrophobicContact CB-CD2 3.8Å; P55-K139 WeakPolarHBondContact CB-O 3.36Å; P55-K139 WeakPolarHBondContact CG-O 3.46Å; P55-Q141 WeakPolarHBondContact O-CG 3.43Å; P55-Q141 PolarHBondContact O-NE2 3.41Å
56Y88.9Confident93Very high72 Ų7248.8 Ų48.828%0.28226%0.264SS..  trans-114.6-172.9168.4-57.5-78.1000110.1E54 T59 Q61 T140 Q141E54-Y56 HydrophobicContact CG-CE2 4.3Å; E54-Y56 PolarHBondContact OE1-OH 3.31Å; Y56-T59 WeakPolarHBondContact CA-O 3.43Å; Y56-T59 WeakPolarHBondContact CB-O 3.39Å; Y56-T59 WeakPolarHBondContact CB-OG1 3.29Å; Y56-T59 WeakPolarHBondContact CD2-OG1 3.18Å; Y56-T59 PolarHBondContact N-O 2.81Å; Y56-Q61 HydrophobicContact CE2-CB 4.42Å; Y56-Q61 HydrophobicContact CE2-CG 4.02Å; Y56-Q61 PolarHBondContact OH-OE1 3.28Å; Y56-T140 VanDerWaalsContact O-CA 3.3Å; Y56-T140 WeakPolarHBondContact O-CA 3.34Å; Y56-T140 WeakPolarHBondContact O-CB 3.32Å; Y56-T140 WeakPolarHBondContact O-CG2 3.28Å; Y56-Q141 PolarHBondContact O-N 2.88Å
57S87.2Confident92.9Very high41 Ų4147.8 Ų47.829%0.28726%0.257SS..SBendtrans-68.4-35.2-177.9590000113.6K112 P113 Q141S57-K112 CarbonylContact O-C 3.55Å; S57-P113 WeakPolarHBondContact O-CA 3.41Å; S57-P113 WeakPolarHBondContact O-CG 3.3Å; S57-Q141 WeakPolarHBondContact CA-O 3.28Å
58S84Confident92.8Very high54 Ų5455.2 Ų55.238%0.37829%0.287SS..SBendtrans-135.16.2-178.3620000114.6G110 L111S58-G110 PolarHBondContact O-N 2.81Å; S58-L111 VanDerWaalsContact CA-O 3.27Å; S58-L111 WeakPolarHBondContact CA-O 3.47Å; S58-L111 WeakPolarHBondContact CB-O 3.29Å; S58-L111 PolarHBondContact O-N 3.13Å
59T85.8Confident92.5Very high38 Ų3857.7 Ų57.723%0.23331%0.307CS..EExtended strand (participates in β ladder)trans-140.4163.9-179.3630000110.2Y56 I108 V109Y56-T59 WeakPolarHBondContact CA-O 3.43Å; Y56-T59 WeakPolarHBondContact CB-O 3.39Å; Y56-T59 WeakPolarHBondContact CB-OG1 3.29Å; Y56-T59 WeakPolarHBondContact CD2-OG1 3.18Å; Y56-T59 PolarHBondContact N-O 2.81Å; T59-I108 CarbonylContact C-O 3.57Å; T59-I108 WeakPolarHBondContact CA-O 3.31Å; T59-I108 VanDerWaalsContact CB-O 3.28Å; T59-I108 WeakPolarHBondContact CB-O 3.43Å; T59-V109 HydrophobicContact CG2-CB 4.25Å; T59-V109 HydrophobicContact CG2-CG1 3.91Å
60A87.9Confident92.4Very high0 Ų057.6 Ų57.60%030%0.304CS..EExtended strand (participates in β ladder)trans-143.2132.2169.500000109.4V53 E54 I108 L111 F138V53-A60 HydrophobicContact CG1-CB 4.05Å; E54-A60 WeakPolarHBondContact O-CA 3.25Å; A60-I108 PolarHBondContact N-O 3.23Å; A60-I108 PolarHBondContact O-N 3.3Å; A60-L111 HydrophobicContact CB-CD1 3.8Å; A60-F138 HydrophobicContact CB-CD2 4.26Å; A60-F138 HydrophobicContact CB-CE1 4.39Å; A60-F138 HydrophobicContact CB-CE2 3.5Å; A60-F138 VanDerWaalsContact CB-CE2 3.5Å; A60-F138 HydrophobicContact CB-CZ 3.56Å
61Q93.2Very high92.1Very high60 Ų6057 Ų5728%0.2831%0.305SS..EExtended strand (participates in β ladder)trans-94.1123.2170.9-74.6-177.2-3800108.6V53 E54 Y56 I105 T107V53-Q61 CarbonylContact C-O 3.54Å; V53-Q61 WeakPolarHBondContact CA-O 3.41Å; E54-Q61 HydrophobicContact CB-CB 4.43Å; E54-Q61 PolarHBondContact N-O 2.86Å; E54-Q61 PolarHBondContact O-N 2.79Å; Y56-Q61 HydrophobicContact CE2-CB 4.42Å; Y56-Q61 HydrophobicContact CE2-CG 4.02Å; Y56-Q61 PolarHBondContact OH-OE1 3.28Å; Q61-I105 HydrophobicContact CB-CG2 4.16Å; Q61-I105 HydrophobicContact CG-CG2 4.35Å; Q61-T107 HydrophobicContact CG-CG2 4.41Å
62V96.3Very high91.8Very high0 Ų056.2 Ų56.20%032%0.317CS..EExtended strand (participates in β ladder)trans-107.6109.8-178.8-176.70000107.2I50 V53 I105 V106 I108 V119 L121I50-V62 HydrophobicContact CD1-CG1 4.43Å; I50-V62 HydrophobicContact CG1-CG1 4.19Å; I50-V62 HydrophobicContact CG2-CG1 3.87Å; V53-V62 HydrophobicContact CG1-CG2 4.21Å; V53-V62 HydrophobicContact CG2-CG1 4.33Å; V53-V62 HydrophobicContact CG2-CG2 4.4Å; V62-I105 CarbonylContact O-C 3.59Å; V62-I105 VanDerWaalsContact O-CA 3.32Å; V62-I105 WeakPolarHBondContact O-CA 3.18Å; V62-V106 HydrophobicContact CB-CG2 3.8Å; V62-V106 HydrophobicContact CG1-CG2 4.39Å; V62-V106 HydrophobicContact CG2-CG2 4.42Å; V62-V106 PolarHBondContact N-O 2.99Å; V62-V106 PolarHBondContact O-N 2.99Å; V62-I108 HydrophobicContact CG2-CD1 3.95Å; V62-I108 HydrophobicContact CG2-CG1 4.41Å; V62-V119 HydrophobicContact CG2-CG1 4.39Å; V62-V119 HydrophobicContact CG2-CG2 4.17Å; V62-L121 HydrophobicContact CG1-CD1 4.03Å
63Q95.1Very high91.8Very high63 Ų6353.3 Ų53.329%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-82.4133170.5-70.4170.244.500108.7D51 Q52 G104 I105D51-Q63 PolarHBondContact N-O 2.84Å; Q52-Q63 HydrophobicContact CB-CB 4.3Å; Q52-Q63 PolarHBondContact N-O 3.29Å; Q52-Q63 PolarHBondContact O-N 3.41Å; Q63-G104 WeakPolarHBondContact CA-O 3.41Å; Q63-I105 HydrophobicContact CG-CD1 4.27Å; Q63-I105 HydrophobicContact CG-CG1 3.78Å
64F97.4Very high91.6Very high8 Ų857 Ų574%0.03533%0.33CS..EExtended strand (participates in β ladder)trans-149.5149.8-174.677.2-79.6000112.1P48 S49 D51 Y78 A100 G104 V106 L121P48-F64 HydrophobicContact CB-CD2 4.18Å; S49-F64 CarbonylContact O-C 3.58Å; S49-F64 WeakPolarHBondContact O-CA 2.88Å; S49-F64 WeakPolarHBondContact O-CB 3.47Å; D51-F64 VanDerWaalsContact OD2-C 3.28Å; D51-F64 WeakPolarHBondContact OD2-CA 3.36Å; F64-Y78 HydrophobicContact CE2-CD1 4.09Å; F64-Y78 HydrophobicContact CE2-CD2 4.16Å; F64-Y78 AromaticContact CE2-CE1 3.81Å; F64-Y78 HydrophobicContact CE2-CE1 3.81Å; F64-Y78 AromaticContact CE2-CE2 3.89Å; F64-Y78 HydrophobicContact CE2-CE2 3.89Å; F64-Y78 HydrophobicContact CE2-CG 4.25Å; F64-Y78 AromaticContact CE2-CZ 3.7Å; F64-Y78 AromaticContact CZ-CD2 3.95Å; F64-Y78 HydrophobicContact CZ-CD2 3.95Å; F64-Y78 AromaticContact CZ-CE2 3.9Å; F64-Y78 HydrophobicContact CZ-CE2 3.9Å; F64-Y78 HydrophobicContact CZ-CG 4.29Å; F64-A100 HydrophobicContact CE1-CB 4.22Å; F64-A100 HydrophobicContact CZ-CB 3.91Å; F64-G104 PolarHBondContact N-O 2.79Å; F64-V106 HydrophobicContact CD1-CG1 4.4Å; F64-V106 HydrophobicContact CE1-CG1 3.77Å; F64-V106 HydrophobicContact CZ-CG1 4.45Å; F64-L121 HydrophobicContact CB-CD1 3.48Å; F64-L121 VanDerWaalsContact CB-CD1 3.48Å; F64-L121 HydrophobicContact CD1-CD1 4.1Å; F64-L121 HydrophobicContact CD2-CD1 4.11Å; F64-L121 HydrophobicContact CG-CD1 3.61Å
65D94.8Very high91.7Very high98 Ų9854.6 Ų54.652%0.52432%0.32SS..EExtended strand (participates in β ladder)trans-94144.9168.4-75.7-32.9000110.8S49 D51S49-D65 PolarHBondContact N-O 2.88Å; S49-D65 VanDerWaalsContact N-O 3.12Å; S49-D65 PolarHBondContact O-N 3.11Å; D51-D65 PolarHBondContact OD2-N 2.88Å; D51-D65 VanDerWaalsContact OD2-N 3.15Å
66E94.3Very high91.9Very high112 Ų11257.4 Ų57.452%0.52333%0.332SS..PPolyproline II helixtrans-60.3155.9175.8-58.7-164.3119.400112.1E68 Y78 S101E66-E68 PolarHBondContact O-N 3.01Å; E66-Y78 WeakPolarHBondContact CG-OH 3.13Å; E66-Y78 PolarHBondContact OE1-OH 2.86Å; E66-S101 WeakPolarHBondContact OE1-CB 3.14Å; E66-S101 PolarHBondContact OE1-OG 2.85Å
67P96.2Very high92.2Very high10 Ų1058.4 Ų58.47%0.06534%0.338CS..PPolyproline II helixtrans-53.7132.7172.2-27.635.5000113.1P45 S46 P48 A69 Y78 A123P45-P67 HydrophobicContact CB-CB 4.38Å; P45-P67 HydrophobicContact CB-CG 4.28Å; S46-P67 VanDerWaalsContact O-CB 3.3Å; S46-P67 WeakPolarHBondContact O-CB 3.3Å; S46-P67 WeakPolarHBondContact O-CG 3.39Å; S46-P67 WeakPolarHBondContact OG-CB 3.46Å; P48-P67 HydrophobicContact CG-CG 4.01Å; P67-A69 PolarHBondContact O-N 2.93Å; P67-Y78 HydrophobicContact CG-CE1 4.4Å; P67-A123 HydrophobicContact CG-CB 3.58Å
68E94.1Very high92.7Very high201 Ų20156.5 Ų56.594%0.93933%0.325SS*.SBendtrans-56.4-34.3173.1-67-172.2171.400112.6S46 E66S46-E68 PolarHBondContact OG-N 3.16Å; E66-E68 PolarHBondContact O-N 3.01Å
69A92.1Very high93.4Very high54 Ų5455.7 Ų55.745%0.44632%0.315SS..  trans-123.4121.1176.700000111P45 S46 P67 G71P45-A69 CarbonylContact C-O 3.5Å; P45-A69 WeakPolarHBondContact CA-O 3.22Å; S46-A69 PolarHBondContact N-O 2.95Å; S46-A69 PolarHBondContact OG-N 2.94Å; S46-A69 PolarHBondContact OG-O 3.49Å; P67-A69 PolarHBondContact O-N 2.93Å; A69-G71 VanDerWaalsContact C-N 3.28Å; A69-G71 PolarHBondContact O-N 2.93Å
70T92.6Very high94Very high58 Ų5853.9 Ų53.936%0.35630%0.303SS..  trans-82-7176.160.90000113.6V73 I75 N125T70-V73 WeakPolarHBondContact CB-O 3.49Å; T70-V73 VanDerWaalsContact O-O 3.13Å; T70-I75 HydrophobicContact CG2-CD1 4.09Å; T70-I75 HydrophobicContact CG2-CG1 4.02Å; T70-N125 PolarHBondContact O-ND2 3.07Å
71G91.3Very high94.5Very high15 Ų1554.8 Ų54.816%0.15531%0.308CS..THydrogen-bonded Turntrans76.920.4-173.300000113.8A42 D43 A69 V73A42-G71 CarbonylContact C-O 3.56Å; A42-G71 WeakPolarHBondContact CA-O 3.42Å; D43-G71 PolarHBondContact N-O 3.39Å; D43-G71 WeakPolarHBondContact O-CA 3.36Å; A69-G71 VanDerWaalsContact C-N 3.28Å; A69-G71 PolarHBondContact O-N 2.93Å; G71-V73 VanDerWaalsContact C-N 3.3Å; G71-V73 PolarHBondContact O-N 2.93Å
72G87.9Confident94.7Very high68 Ų6853.3 Ų53.370%0.70130%0.3SS*.THydrogen-bonded Turntrans83.8-1.6175.900000115.1
73V91.8Very high94.8Very high44 Ų4457.3 Ų57.327%0.26732%0.315SS..SBendtrans-133.1151.7175.1-67.30000110.1A42 T70 G71 N125A42-V73 HydrophobicContact CB-CG1 3.7Å; A42-V73 HydrophobicContact CB-CG2 4.02Å; T70-V73 WeakPolarHBondContact CB-O 3.49Å; T70-V73 VanDerWaalsContact O-O 3.13Å; G71-V73 VanDerWaalsContact C-N 3.3Å; G71-V73 PolarHBondContact O-N 2.93Å; V73-N125 HydrophobicContact CG2-CB 3.93Å; V73-N125 WeakPolarHBondContact CG2-ND2 3.4Å
74P91.6Very high94.9Very high96 Ų9654.7 Ų54.762%0.62330%0.304SS*.  trans-65.9147.2-172.925.8-35.3000113.1N125P74-N125 WeakPolarHBondContact O-CB 3.38Å
75I94.8Very high94.7Very high23 Ų2358.1 Ų58.112%0.11833%0.325CS..EExtended strand (participates in β ladder)trans-68.9135.5171.1-50.6-55.6000109.2P45 T70 Y78 A97 A123 N125P45-I75 HydrophobicContact CB-CD1 3.58Å; P45-I75 HydrophobicContact CG-CD1 3.3Å; T70-I75 HydrophobicContact CG2-CD1 4.09Å; T70-I75 HydrophobicContact CG2-CG1 4.02Å; I75-Y78 HydrophobicContact CG2-CE1 4.17Å; I75-Y78 HydrophobicContact CG2-CE2 4.26Å; I75-A97 HydrophobicContact CB-CB 4.32Å; I75-A97 HydrophobicContact CG2-CB 3.94Å; I75-A123 HydrophobicContact CD1-CB 4.15Å; I75-A123 HydrophobicContact CG2-CB 4.01Å; I75-N125 HydrophobicContact CD1-CB 4.27Å
76L92.1Very high94.4Very high90 Ų9057.2 Ų57.247%0.47134%0.339SS..EExtended strand (participates in β ladder)trans-104.2-40.8-179.7-58.9178000111.7A97 L124L76-A97 VanDerWaalsContact O-CB 3.28Å; L76-A97 WeakPolarHBondContact O-CB 3.35Å; L76-A97 PolarHBondContact O-N 3.01Å; L76-A97 VanDerWaalsContact O-N 3.11Å; L76-L124 PolarHBondContact N-O 3Å
77K96.6Very high94.3Very high94 Ų9455.5 Ų55.541%0.40933%0.331SS..EExtended strand (participates in β ladder)trans-148.8159-177.3-62.5-172.6179.1179.80112.3W94 Y95 L124K77-W94 HydrophobicContact CB-CE3 3.88Å; K77-W94 HydrophobicContact CB-CZ3 4.26Å; K77-W94 HydrophobicContact CD-CE3 4.37Å; K77-Y95 CarbonylContact C-O 3.5Å; K77-Y95 WeakPolarHBondContact CA-O 3.5Å; K77-Y95 VanDerWaalsContact CB-O 3.27Å; K77-Y95 WeakPolarHBondContact CB-O 3.19Å; K77-L124 HydrophobicContact CB-CB 4.36Å; K77-L124 HydrophobicContact CB-CD2 4.27Å; K77-L124 PolarHBondContact N-O 2.86Å; K77-L124 PolarHBondContact O-N 3.48Å
78Y98Very high94Very high0 Ų063.5 Ų63.50%037%0.367CS..EExtended strand (participates in β ladder)trans-111.1143.1165.1-65.7-78.1000110.7P48 F64 E66 P67 I75 W94 Y95 A97 A100 S101 A122 A123P48-Y78 HydrophobicContact CG-CD1 4.06Å; P48-Y78 HydrophobicContact CG-CE1 4.03Å; F64-Y78 HydrophobicContact CE2-CD1 4.09Å; F64-Y78 HydrophobicContact CE2-CD2 4.16Å; F64-Y78 AromaticContact CE2-CE1 3.81Å; F64-Y78 HydrophobicContact CE2-CE1 3.81Å; F64-Y78 AromaticContact CE2-CE2 3.89Å; F64-Y78 HydrophobicContact CE2-CE2 3.89Å; F64-Y78 HydrophobicContact CE2-CG 4.25Å; F64-Y78 AromaticContact CE2-CZ 3.7Å; F64-Y78 AromaticContact CZ-CD2 3.95Å; F64-Y78 HydrophobicContact CZ-CD2 3.95Å; F64-Y78 AromaticContact CZ-CE2 3.9Å; F64-Y78 HydrophobicContact CZ-CE2 3.9Å; F64-Y78 HydrophobicContact CZ-CG 4.29Å; E66-Y78 WeakPolarHBondContact CG-OH 3.13Å; E66-Y78 PolarHBondContact OE1-OH 2.86Å; P67-Y78 HydrophobicContact CG-CE1 4.4Å; I75-Y78 HydrophobicContact CG2-CE1 4.17Å; I75-Y78 HydrophobicContact CG2-CE2 4.26Å; Y78-W94 CarbonylContact O-C 3.45Å; Y78-W94 WeakPolarHBondContact O-CA 3.47Å; Y78-Y95 PolarHBondContact N-O 3.43Å; Y78-Y95 PolarHBondContact O-N 3.05Å; Y78-A97 HydrophobicContact CD2-CB 4.3Å; Y78-A97 HydrophobicContact CE2-CB 4.01Å; Y78-A100 HydrophobicContact CD2-CB 3.81Å; Y78-A100 HydrophobicContact CE2-CB 4.29Å; Y78-S101 WeakPolarHBondContact CE2-OG 3.28Å; Y78-A122 CarbonylContact C-O 3.6Å; Y78-A122 WeakPolarHBondContact CA-O 3.31Å; Y78-A123 HydrophobicContact CD1-CB 3.81Å; Y78-A123 HydrophobicContact CE1-CB 3.63Å
79K98.3Very high94Very high38 Ų3858.9 Ų58.917%0.16535%0.353CS..EExtended strand (participates in β ladder)trans-109.4117.5172.4-167.4-172.4-174.1-165.50108.3E81 W94 L121 A122 L129K79-E81 HydrophobicContact CD-CG 4.15Å; K79-E81 WeakPolarHBondContact CE-OE1 3.46Å; K79-E81 HydrophobicContact CG-CG 4.25Å; K79-E81 IonicContact NZ-OE1 3.91Å; K79-E81 PolarHBondContact NZ-OE1 2.82Å; K79-W94 HydrophobicContact CB-CD2 4.24Å; K79-W94 HydrophobicContact CB-CE3 3.78Å; K79-W94 HydrophobicContact CB-CH2 3.96Å; K79-W94 HydrophobicContact CB-CZ2 4.36Å; K79-W94 HydrophobicContact CB-CZ3 3.63Å; K79-W94 HydrophobicContact CD-CH2 4.07Å; K79-W94 HydrophobicContact CD-CZ2 3.9Å; K79-W94 HydrophobicContact CG-CD2 4.23Å; K79-W94 HydrophobicContact CG-CE3 4.28Å; K79-W94 HydrophobicContact CG-CH2 4.22Å; K79-W94 HydrophobicContact CG-CZ2 4.13Å; K79-W94 HydrophobicContact CG-CZ3 4.28Å; K79-L121 CarbonylContact O-C 3.48Å; K79-L121 WeakPolarHBondContact O-CA 3.15Å; K79-A122 PolarHBondContact N-O 3.25Å; K79-A122 PolarHBondContact O-N 2.85Å; K79-L129 HydrophobicContact CB-CD1 4.45Å
80A98.1Very high94.2Very high0 Ų058.9 Ų58.90%034%0.341CS..EExtended strand (participates in β ladder)trans-94.9133.2165.600000109.8S92 K93 Y95 V106 L121A80-S92 CarbonylContact O-C 3.49Å; A80-S92 WeakPolarHBondContact O-CA 3.48Å; A80-K93 PolarHBondContact N-O 3.33Å; A80-K93 PolarHBondContact O-N 3.12Å; A80-Y95 HydrophobicContact CB-CD2 4.37Å; A80-Y95 HydrophobicContact CB-CE2 3.62Å; A80-V106 HydrophobicContact CB-CG2 4.48Å; A80-L121 HydrophobicContact CB-CD2 3.53Å
81E98Very high94.4Very high19 Ų1960.6 Ų60.69%0.08935%0.345CS..EExtended strand (participates in β ladder)trans-120.3136.2172.4-57.5-170.7136.100109.9K79 W90 H91 V119 R120 I132K79-E81 HydrophobicContact CD-CG 4.15Å; K79-E81 WeakPolarHBondContact CE-OE1 3.46Å; K79-E81 HydrophobicContact CG-CG 4.25Å; K79-E81 IonicContact NZ-OE1 3.91Å; K79-E81 PolarHBondContact NZ-OE1 2.82Å; E81-W90 HydrophobicContact CB-CB 4.42Å; E81-W90 HydrophobicContact CB-CD2 4.45Å; E81-W90 HydrophobicContact CB-CE3 3.81Å; E81-H91 CarbonylContact C-O 3.55Å; E81-H91 WeakPolarHBondContact CA-O 3.13Å; E81-V119 CarbonylContact O-C 3.57Å; E81-V119 VanDerWaalsContact O-CA 3.29Å; E81-V119 WeakPolarHBondContact O-CA 3.17Å; E81-R120 HydrophobicContact CB-CG 3.95Å; E81-R120 PolarHBondContact N-O 2.81Å; E81-R120 PolarHBondContact O-N 2.93Å; E81-R120 IonicContact OE2-CZ 3.22Å; E81-R120 IonicContact OE2-NE 3.84Å; E81-R120 PolarHBondContact OE2-NE 3.29Å; E81-R120 IonicContact OE2-NH2 2.73Å; E81-R120 PolarHBondContact OE2-NH2 2.86Å; E81-I132 WeakPolarHBondContact OE2-CD1 2.88Å
82W98.1Very high94.7Very high29 Ų2962.8 Ų62.811%0.1136%0.358CS..EExtended strand (participates in β ladder)trans-141.8154.417767.897.5000112.3H91 K93 I108 L111 A118 V119W82-H91 HydrophobicContact CD2-CB 3.92Å; W82-H91 HydrophobicContact CE3-CB 4.45Å; W82-H91 HydrophobicContact CG-CB 4.37Å; W82-H91 HydrophobicContact CH2-CB 4.24Å; W82-H91 HydrophobicContact CZ2-CB 3.69Å; W82-H91 PolarHBondContact N-O 3.1Å; W82-H91 WeakPolarHBondContact O-CB 3.15Å; W82-H91 PolarHBondContact O-N 3Å; W82-K93 HydrophobicContact CH2-CB 3.88Å; W82-K93 HydrophobicContact CZ3-CB 3.78Å; W82-I108 HydrophobicContact CB-CD1 4.16Å; W82-I108 HydrophobicContact CD2-CD1 4.29Å; W82-I108 HydrophobicContact CD2-CG2 3.53Å; W82-I108 HydrophobicContact CE3-CD1 4.07Å; W82-I108 HydrophobicContact CE3-CG1 4.21Å; W82-I108 HydrophobicContact CE3-CG2 3.88Å; W82-I108 HydrophobicContact CG-CD1 4.34Å; W82-I108 HydrophobicContact CG-CG2 3.9Å; W82-I108 HydrophobicContact CH2-CG2 4.33Å; W82-I108 HydrophobicContact CZ2-CG2 3.99Å; W82-I108 HydrophobicContact CZ3-CG2 4.27Å; W82-L111 HydrophobicContact CG-CD2 4.48Å; W82-A118 CarbonylContact C-O 3.59Å; W82-A118 WeakPolarHBondContact CA-O 3.26Å; W82-V119 HydrophobicContact CB-CB 4.39Å
83R97.4Very high95Very high84 Ų8463.1 Ų63.132%0.31734%0.34SS..EExtended strand (participates in β ladder)trans-149.8151.2174.165.3177.9-176.6172.11.5111.1E87 V89 W90 Y117 A118R83-E87 WeakPolarHBondContact CD-O 2.97Å; R83-E87 PolarHBondContact NH1-O 2.69Å; R83-V89 WeakPolarHBondContact CB-O 3.42Å; R83-W90 HydrophobicContact CB-CD2 4.27Å; R83-W90 HydrophobicContact CB-CE3 4.2Å; R83-W90 VanDerWaalsContact CD-CE2 3.46Å; R83-W90 HydrophobicContact CG-CD2 3.99Å; R83-W90 HydrophobicContact CG-CE3 3.94Å; R83-W90 HydrophobicContact CG-CH2 4.04Å; R83-W90 HydrophobicContact CG-CZ2 4.08Å; R83-W90 HydrophobicContact CG-CZ3 3.97Å; R83-W90 VanDerWaalsContact NE-CZ2 3.28Å; R83-Y117 VanDerWaalsContact C-CD1 3.41Å; R83-Y117 CarbonylContact O-C 3.55Å; R83-Y117 VanDerWaalsContact O-CA 3.24Å; R83-Y117 WeakPolarHBondContact O-CA 3.33Å; R83-Y117 WeakPolarHBondContact O-CD1 3.29Å; R83-A118 HydrophobicContact CG-CB 4.48Å; R83-A118 PolarHBondContact N-O 2.95Å; R83-A118 PolarHBondContact O-N 2.79Å
84A96.6Very high95.3Very high8 Ų866.6 Ų66.67%0.06635%0.348CS..EExtended strand (participates in β ladder)trans-69.1143.4169.400000109.5G86 E87 T115 T116 Y117A84-G86 PolarHBondContact O-N 3.11Å; A84-G86 VanDerWaalsContact O-N 3.15Å; A84-E87 HydrophobicContact CB-CB 4.46Å; A84-E87 HydrophobicContact CB-CG 4.03Å; A84-E87 PolarHBondContact O-N 2.95Å; A84-T115 HydrophobicContact CB-CG2 4.04Å; A84-T116 WeakPolarHBondContact CA-O 3.45Å; A84-Y117 HydrophobicContact CB-CD1 4.13Å; A84-Y117 HydrophobicContact CB-CE1 3.8Å
85V93.1Very high95.4Very high80 Ų8063.4 Ų63.449%0.48532%0.324SS..THydrogen-bonded Turntrans-63.4119.1174.9176.70000108.4T116V85-T116 HydrophobicContact CB-CG2 4.35Å; V85-T116 HydrophobicContact CG2-CG2 3.6Å; V85-T116 PolarHBondContact N-O 2.84Å
86G88.6Confident95.5Very high79 Ų7966 Ų6681%0.81434%0.338SS*.THydrogen-bonded Turntrans104.8-11.3-173.400000114.5A84A84-G86 PolarHBondContact O-N 3.11Å; A84-G86 VanDerWaalsContact O-N 3.15Å
87E93.6Very high95.5Very high76 Ų7662.1 Ų62.136%0.35532%0.319SS..  trans-90.8145.8168.2-68.2-179.5173.500110.8R83 A84R83-E87 WeakPolarHBondContact CD-O 2.97Å; R83-E87 PolarHBondContact NH1-O 2.69Å; A84-E87 HydrophobicContact CB-CB 4.46Å; A84-E87 HydrophobicContact CB-CG 4.03Å; A84-E87 PolarHBondContact O-N 2.95Å
88E89.6Confident94.8Very high177 Ų17764 Ų6483%0.82733%0.327SS*.  trans-89.5-28179.4-64.6-171.4165.800112.7
89V94.8Very high94.2Very high104 Ų10467.9 Ų67.963%0.6335%0.345SS*.PPolyproline II helixtrans-88.9129.5-172.3-178.30000110.7R83R83-V89 WeakPolarHBondContact CB-O 3.42Å
90W96.3Very high93.6Very high55 Ų5566.3 Ų66.321%0.20834%0.339CS..PPolyproline II helixtrans-86.5127.3171.6-68.486.4000110.7E81 R83 A118 R120 A135E81-W90 HydrophobicContact CB-CB 4.42Å; E81-W90 HydrophobicContact CB-CD2 4.45Å; E81-W90 HydrophobicContact CB-CE3 3.81Å; R83-W90 HydrophobicContact CB-CD2 4.27Å; R83-W90 HydrophobicContact CB-CE3 4.2Å; R83-W90 VanDerWaalsContact CD-CE2 3.46Å; R83-W90 HydrophobicContact CG-CD2 3.99Å; R83-W90 HydrophobicContact CG-CE3 3.94Å; R83-W90 HydrophobicContact CG-CH2 4.04Å; R83-W90 HydrophobicContact CG-CZ2 4.08Å; R83-W90 HydrophobicContact CG-CZ3 3.97Å; R83-W90 VanDerWaalsContact NE-CZ2 3.28Å; W90-A118 HydrophobicContact CH2-CB 4.08Å; W90-A118 WeakPolarHBondContact CZ3-O 3.22Å; W90-R120 HydrophobicContact CE3-CG 4.27Å; W90-R120 HydrophobicContact CH2-CG 4.05Å; W90-R120 HydrophobicContact CZ3-CG 3.77Å; W90-A135 HydrophobicContact CH2-CB 4.3Å
91H96.2Very high93Very high94 Ų9468.1 Ų68.144%0.43535%0.352SS..EExtended strand (participates in β ladder)trans-78.4156162.7-65.9-81.8000109.7E81 W82E81-H91 CarbonylContact C-O 3.55Å; E81-H91 WeakPolarHBondContact CA-O 3.13Å; W82-H91 HydrophobicContact CD2-CB 3.92Å; W82-H91 HydrophobicContact CE3-CB 4.45Å; W82-H91 HydrophobicContact CG-CB 4.37Å; W82-H91 HydrophobicContact CH2-CB 4.24Å; W82-H91 HydrophobicContact CZ2-CB 3.69Å; W82-H91 PolarHBondContact N-O 3.1Å; W82-H91 WeakPolarHBondContact O-CB 3.15Å; W82-H91 PolarHBondContact O-N 3Å
92S96.4Very high92.2Very high61 Ų6173.1 Ų73.143%0.42738%0.377SS..EExtended strand (participates in β ladder)trans-146.6153.8177.867.80000113.9A80A80-S92 CarbonylContact O-C 3.49Å; A80-S92 WeakPolarHBondContact O-CA 3.48Å
93K96.1Very high91.4Very high74 Ų7475.4 Ų75.432%0.32239%0.389SS..EExtended strand (participates in β ladder)trans-145.9144.1173.4-178.7173.4167.1-162.60109.9A80 W82 Y95A80-K93 PolarHBondContact N-O 3.33Å; A80-K93 PolarHBondContact O-N 3.12Å; W82-K93 HydrophobicContact CH2-CB 3.88Å; W82-K93 HydrophobicContact CZ3-CB 3.78Å; K93-Y95 HydrophobicContact CB-CE2 4.13Å; K93-Y95 HydrophobicContact CD-CE1 4.16Å; K93-Y95 HydrophobicContact CD-CE2 4.44Å; K93-Y95 WeakPolarHBondContact CD-OH 3.06Å; K93-Y95 HydrophobicContact CG-CE1 4.49Å; K93-Y95 HydrophobicContact CG-CE2 4.08Å
94W96.8Very high90.9Very high117 Ų11772.5 Ų72.544%0.44339%0.385SS..EExtended strand (participates in β ladder)trans-97.5142.6175.9-67.498.1000111.2K77 Y78 K79 L124 L129K77-W94 HydrophobicContact CB-CE3 3.88Å; K77-W94 HydrophobicContact CB-CZ3 4.26Å; K77-W94 HydrophobicContact CD-CE3 4.37Å; Y78-W94 CarbonylContact O-C 3.45Å; Y78-W94 WeakPolarHBondContact O-CA 3.47Å; K79-W94 HydrophobicContact CB-CD2 4.24Å; K79-W94 HydrophobicContact CB-CE3 3.78Å; K79-W94 HydrophobicContact CB-CH2 3.96Å; K79-W94 HydrophobicContact CB-CZ2 4.36Å; K79-W94 HydrophobicContact CB-CZ3 3.63Å; K79-W94 HydrophobicContact CD-CH2 4.07Å; K79-W94 HydrophobicContact CD-CZ2 3.9Å; K79-W94 HydrophobicContact CG-CD2 4.23Å; K79-W94 HydrophobicContact CG-CE3 4.28Å; K79-W94 HydrophobicContact CG-CH2 4.22Å; K79-W94 HydrophobicContact CG-CZ2 4.13Å; K79-W94 HydrophobicContact CG-CZ3 4.28Å; W94-L124 HydrophobicContact CE3-CD2 4.46Å; W94-L124 HydrophobicContact CH2-CB 4.32Å; W94-L124 HydrophobicContact CH2-CD2 3.93Å; W94-L124 HydrophobicContact CZ3-CB 3.79Å; W94-L124 HydrophobicContact CZ3-CD2 3.7Å; W94-L124 HydrophobicContact CZ3-CG 4.33Å; W94-L129 HydrophobicContact CH2-CD1 3.93Å; W94-L129 HydrophobicContact CZ3-CD1 4.26Å
95Y94.7Very high90.5Very high30 Ų3074.3 Ų74.312%0.11839%0.393CS..EExtended strand (participates in β ladder)trans-124.7143.8176.2-58.3-91.5000109.4K77 Y78 A80 K93 V106 T107K77-Y95 CarbonylContact C-O 3.5Å; K77-Y95 WeakPolarHBondContact CA-O 3.5Å; K77-Y95 VanDerWaalsContact CB-O 3.27Å; K77-Y95 WeakPolarHBondContact CB-O 3.19Å; Y78-Y95 PolarHBondContact N-O 3.43Å; Y78-Y95 PolarHBondContact O-N 3.05Å; A80-Y95 HydrophobicContact CB-CD2 4.37Å; A80-Y95 HydrophobicContact CB-CE2 3.62Å; K93-Y95 HydrophobicContact CB-CE2 4.13Å; K93-Y95 HydrophobicContact CD-CE1 4.16Å; K93-Y95 HydrophobicContact CD-CE2 4.44Å; K93-Y95 WeakPolarHBondContact CD-OH 3.06Å; K93-Y95 HydrophobicContact CG-CE1 4.49Å; K93-Y95 HydrophobicContact CG-CE2 4.08Å; Y95-V106 HydrophobicContact CD1-CB 4.02Å; Y95-V106 HydrophobicContact CD1-CG1 3.91Å; Y95-V106 HydrophobicContact CD2-CB 4.03Å; Y95-V106 HydrophobicContact CD2-CG1 3.8Å; Y95-V106 HydrophobicContact CE1-CB 3.92Å; Y95-V106 HydrophobicContact CE1-CG1 4.33Å; Y95-V106 HydrophobicContact CE2-CB 3.95Å; Y95-V106 HydrophobicContact CE2-CG1 4.24Å; Y95-V106 HydrophobicContact CE2-CG2 4.39Å; Y95-V106 HydrophobicContact CG-CB 4.07Å; Y95-V106 HydrophobicContact CG-CG1 3.62Å; Y95-T107 PolarHBondContact OH-O 2.91Å
96D95.4Very high90.4Very high77 Ų7770.6 Ų70.641%0.41237%0.371SS..EExtended strand (participates in β ladder)trans-69.4132.7173.7-171.2-90000109.8K98 E99 A100D96-K98 VanDerWaalsContact C-N 3.33Å; D96-K98 PolarHBondContact O-N 3.15Å; D96-K98 VanDerWaalsContact OD1-CB 3.22Å; D96-K98 WeakPolarHBondContact OD1-CB 3.33Å; D96-K98 PolarHBondContact OD1-N 2.88Å; D96-E99 HydrophobicContact CB-CG 4.43Å; D96-E99 PolarHBondContact O-N 3.33Å; D96-A100 VanDerWaalsContact O-CB 3.28Å; D96-A100 WeakPolarHBondContact O-CB 3.5Å; D96-A100 PolarHBondContact O-N 3.3Å
97A91.9Very high90.5Very high8 Ų869.2 Ų69.27%0.06635%0.346CS..Hα-helixtrans-65.7-35.4-177.500000112.3I75 L76 Y78 E99 S101I75-A97 HydrophobicContact CB-CB 4.32Å; I75-A97 HydrophobicContact CG2-CB 3.94Å; L76-A97 VanDerWaalsContact O-CB 3.28Å; L76-A97 WeakPolarHBondContact O-CB 3.35Å; L76-A97 PolarHBondContact O-N 3.01Å; L76-A97 VanDerWaalsContact O-N 3.11Å; Y78-A97 HydrophobicContact CD2-CB 4.3Å; Y78-A97 HydrophobicContact CE2-CB 4.01Å; A97-E99 VanDerWaalsContact C-N 3.33Å; A97-E99 PolarHBondContact O-N 3.03Å; A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.8Å; A97-S101 PolarHBondContact O-OG 2.83Å
98K83.9Confident90.4Very high133 Ų13365.6 Ų65.658%0.57833%0.329SS*.Hα-helixtrans-61.7-45.2-179.4-167.4-165.9177.9-159.90110.6D96 M102 E192D96-K98 VanDerWaalsContact C-N 3.33Å; D96-K98 PolarHBondContact O-N 3.15Å; D96-K98 VanDerWaalsContact OD1-CB 3.22Å; D96-K98 WeakPolarHBondContact OD1-CB 3.33Å; D96-K98 PolarHBondContact OD1-N 2.88Å; K98-M102 VanDerWaalsContact O-CB 3.28Å; K98-M102 WeakPolarHBondContact O-CB 3.46Å; K98-M102 PolarHBondContact O-N 3.02Å; K98-E192 IonicContact NZ-OE1 2.86Å; K98-E192 PolarHBondContact NZ-OE1 3.26Å
99E83.8Confident90.4Very high82 Ų8260.7 Ų60.738%0.38331%0.312SS..Hα-helixtrans-72.6-48.1-179.5-60.8-165.3136.600111.8D96 A97 S101 M102 E103 K198D96-E99 HydrophobicContact CB-CG 4.43Å; D96-E99 PolarHBondContact O-N 3.33Å; A97-E99 VanDerWaalsContact C-N 3.33Å; A97-E99 PolarHBondContact O-N 3.03Å; E99-S101 PolarHBondContact O-N 3.22Å; E99-M102 PolarHBondContact O-N 3.07Å; E99-E103 PolarHBondContact O-N 2.78Å; E99-E103 VanDerWaalsContact O-N 3.15Å; E99-K198 IonicContact OE1-NZ 2.69Å; E99-K198 PolarHBondContact OE1-NZ 3.44Å; E99-K198 IonicContact OE2-NZ 3.62Å
100A86.8Confident90Very high5 Ų559.1 Ų59.14%0.04132%0.316CS..Hα-helixtrans-65.9-39-175.500000112.5F64 Y78 D96 G104 I105 V106F64-A100 HydrophobicContact CE1-CB 4.22Å; F64-A100 HydrophobicContact CZ-CB 3.91Å; Y78-A100 HydrophobicContact CD2-CB 3.81Å; Y78-A100 HydrophobicContact CE2-CB 4.29Å; D96-A100 VanDerWaalsContact O-CB 3.28Å; D96-A100 WeakPolarHBondContact O-CB 3.5Å; D96-A100 PolarHBondContact O-N 3.3Å; A100-G104 VanDerWaalsContact O-CA 3.3Å; A100-G104 WeakPolarHBondContact O-CA 3.13Å; A100-G104 PolarHBondContact O-N 3.48Å; A100-I105 PolarHBondContact O-N 2.78Å; A100-V106 HydrophobicContact CB-CG1 3.96Å
101S84.6Confident89.7Confident38 Ų3856.9 Ų56.927%0.26631%0.308SS..Hα-helixtrans-72.3-32.3177.4-61.30000113.1E66 Y78 A97 E99E66-S101 WeakPolarHBondContact OE1-CB 3.14Å; E66-S101 PolarHBondContact OE1-OG 2.85Å; Y78-S101 WeakPolarHBondContact CE2-OG 3.28Å; A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.8Å; A97-S101 PolarHBondContact O-OG 2.83Å; E99-S101 PolarHBondContact O-N 3.22Å
102M81.1Confident89.4Confident125 Ų12558.2 Ų58.262%0.61631%0.313SS*.Hα-helixtrans-68.9-36.9177-178173.464.600111.8K98 E99K98-M102 VanDerWaalsContact O-CB 3.28Å; K98-M102 WeakPolarHBondContact O-CB 3.46Å; K98-M102 PolarHBondContact O-N 3.02Å; E99-M102 PolarHBondContact O-N 3.07Å
103E82.9Confident89.1Confident77 Ų7758 Ų5836%0.3631%0.31SS..Hα-helixtrans-89.7-21.3178.5-63.9-173.1170.700112.9E99 I105 Q189E99-E103 PolarHBondContact O-N 2.78Å; E99-E103 VanDerWaalsContact O-N 3.15Å; E103-I105 HydrophobicContact CB-CB 4.39Å; E103-I105 WeakPolarHBondContact O-CG1 3.36Å; E103-I105 PolarHBondContact O-N 2.95Å; E103-Q189 PolarHBondContact OE1-NE2 3.47Å; E103-Q189 VanDerWaalsContact OE1-NE2 3.1Å
104G85.4Confident88.9Confident23 Ų2360.1 Ų60.124%0.23732%0.321CS..THydrogen-bonded Turntrans64.318.1-170.700000113.1Q63 F64 A100Q63-G104 WeakPolarHBondContact CA-O 3.41Å; F64-G104 PolarHBondContact N-O 2.79Å; A100-G104 VanDerWaalsContact O-CA 3.3Å; A100-G104 WeakPolarHBondContact O-CA 3.13Å; A100-G104 PolarHBondContact O-N 3.48Å
105I88.1Confident88.7Confident46 Ų4656.3 Ų56.324%0.23631%0.311CS..EExtended strand (participates in β ladder)trans-138.3139.6-168.3-63.9168.1000110.7Q61 V62 Q63 A100 E103Q61-I105 HydrophobicContact CB-CG2 4.16Å; Q61-I105 HydrophobicContact CG-CG2 4.35Å; V62-I105 CarbonylContact O-C 3.59Å; V62-I105 VanDerWaalsContact O-CA 3.32Å; V62-I105 WeakPolarHBondContact O-CA 3.18Å; Q63-I105 HydrophobicContact CG-CD1 4.27Å; Q63-I105 HydrophobicContact CG-CG1 3.78Å; A100-I105 PolarHBondContact O-N 2.78Å; E103-I105 HydrophobicContact CB-CB 4.39Å; E103-I105 WeakPolarHBondContact O-CG1 3.36Å; E103-I105 PolarHBondContact O-N 2.95Å
106V91.5Very high88.9Confident2 Ų257.5 Ų57.51%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-123.2141.9162.5-62.50000111.3V62 F64 A80 Y95 A100 L121V62-V106 HydrophobicContact CB-CG2 3.8Å; V62-V106 HydrophobicContact CG1-CG2 4.39Å; V62-V106 HydrophobicContact CG2-CG2 4.42Å; V62-V106 PolarHBondContact N-O 2.99Å; V62-V106 PolarHBondContact O-N 2.99Å; F64-V106 HydrophobicContact CD1-CG1 4.4Å; F64-V106 HydrophobicContact CE1-CG1 3.77Å; F64-V106 HydrophobicContact CZ-CG1 4.45Å; A80-V106 HydrophobicContact CB-CG2 4.48Å; Y95-V106 HydrophobicContact CD1-CB 4.02Å; Y95-V106 HydrophobicContact CD1-CG1 3.91Å; Y95-V106 HydrophobicContact CD2-CB 4.03Å; Y95-V106 HydrophobicContact CD2-CG1 3.8Å; Y95-V106 HydrophobicContact CE1-CB 3.92Å; Y95-V106 HydrophobicContact CE1-CG1 4.33Å; Y95-V106 HydrophobicContact CE2-CB 3.95Å; Y95-V106 HydrophobicContact CE2-CG1 4.24Å; Y95-V106 HydrophobicContact CE2-CG2 4.39Å; Y95-V106 HydrophobicContact CG-CB 4.07Å; Y95-V106 HydrophobicContact CG-CG1 3.62Å; A100-V106 HydrophobicContact CB-CG1 3.96Å; V106-L121 HydrophobicContact CG2-CD2 3.87Å
107T90.9Very high89Confident49 Ų4954.4 Ų54.430%0.30130%0.304SS..EExtended strand (participates in β ladder)trans-110.2114.7-177-58.40000112.3Q61 Y95 V109Q61-T107 HydrophobicContact CG-CG2 4.41Å; Y95-T107 PolarHBondContact OH-O 2.91Å; T107-V109 HydrophobicContact CG2-CG1 4.02Å
108I92.2Very high89.3Confident0 Ų054.3 Ų54.30%030%0.303CS..EExtended strand (participates in β ladder)trans-86.2135.8172.2-57.8174.7000108.9T59 A60 V62 W82 L111 V119T59-I108 CarbonylContact C-O 3.57Å; T59-I108 WeakPolarHBondContact CA-O 3.31Å; T59-I108 VanDerWaalsContact CB-O 3.28Å; T59-I108 WeakPolarHBondContact CB-O 3.43Å; A60-I108 PolarHBondContact N-O 3.23Å; A60-I108 PolarHBondContact O-N 3.3Å; V62-I108 HydrophobicContact CG2-CD1 3.95Å; V62-I108 HydrophobicContact CG2-CG1 4.41Å; W82-I108 HydrophobicContact CB-CD1 4.16Å; W82-I108 HydrophobicContact CD2-CD1 4.29Å; W82-I108 HydrophobicContact CD2-CG2 3.53Å; W82-I108 HydrophobicContact CE3-CD1 4.07Å; W82-I108 HydrophobicContact CE3-CG1 4.21Å; W82-I108 HydrophobicContact CE3-CG2 3.88Å; W82-I108 HydrophobicContact CG-CD1 4.34Å; W82-I108 HydrophobicContact CG-CG2 3.9Å; W82-I108 HydrophobicContact CH2-CG2 4.33Å; W82-I108 HydrophobicContact CZ2-CG2 3.99Å; W82-I108 HydrophobicContact CZ3-CG2 4.27Å; I108-L111 HydrophobicContact CG2-CD1 4.31Å; I108-L111 HydrophobicContact CG2-CD2 3.8Å; I108-L111 HydrophobicContact CG2-CG 4.16Å; I108-V119 HydrophobicContact CD1-CB 4.15Å; I108-V119 HydrophobicContact CD1-CG2 3.45Å; I108-V119 VanDerWaalsContact CD1-CG2 3.45Å
109V89.4Confident89.9Confident75 Ų7548 Ų4846%0.45528%0.275SS..EExtended strand (participates in β ladder)trans-130.1158.7-176.2-590000111.1T59 T107T59-V109 HydrophobicContact CG2-CB 4.25Å; T59-V109 HydrophobicContact CG2-CG1 3.91Å; T107-V109 HydrophobicContact CG2-CG1 4.02Å
110G85.6Confident90.6Very high70 Ų7047 Ų4772%0.72227%0.268SS*.  trans80.926.617800000113.5S58S58-G110 PolarHBondContact O-N 2.81Å
111L89.9Confident91.2Very high8 Ų846.7 Ų46.74%0.04227%0.266CS..PPolyproline II helixtrans-79.2151.3173.8-54.3-179.6000110.4S58 A60 W82 I108 Y117 F138 T140S58-L111 VanDerWaalsContact CA-O 3.27Å; S58-L111 WeakPolarHBondContact CA-O 3.47Å; S58-L111 WeakPolarHBondContact CB-O 3.29Å; S58-L111 PolarHBondContact O-N 3.13Å; A60-L111 HydrophobicContact CB-CD1 3.8Å; W82-L111 HydrophobicContact CG-CD2 4.48Å; I108-L111 HydrophobicContact CG2-CD1 4.31Å; I108-L111 HydrophobicContact CG2-CD2 3.8Å; I108-L111 HydrophobicContact CG2-CG 4.16Å; L111-Y117 HydrophobicContact CB-CE2 3.91Å; L111-Y117 HydrophobicContact CD1-CD2 4.46Å; L111-Y117 HydrophobicContact CD2-CD1 3.99Å; L111-Y117 HydrophobicContact CD2-CD2 4.3Å; L111-Y117 HydrophobicContact CD2-CE1 3.84Å; L111-Y117 HydrophobicContact CD2-CE2 4.12Å; L111-Y117 HydrophobicContact CD2-CG 4.26Å; L111-Y117 HydrophobicContact CG-CE2 4.45Å; L111-F138 HydrophobicContact CD1-CE2 3.66Å; L111-F138 HydrophobicContact CD1-CZ 3.72Å; L111-T140 HydrophobicContact CB-CG2 3.84Å; L111-T140 HydrophobicContact CD1-CG2 3.83Å
112K90.2Very high91.8Very high122 Ų12245 Ų4553%0.5325%0.254SS..PPolyproline II helixtrans-81139.2171.5-63.2172.7-174.8163.10110S57 T115 Y117 T140S57-K112 CarbonylContact O-C 3.55Å; K112-T115 WeakPolarHBondContact CB-OG1 3.2Å; K112-T115 WeakPolarHBondContact O-CB 3.27Å; K112-T115 PolarHBondContact O-OG1 2.79Å; K112-Y117 WeakPolarHBondContact CB-OH 3.39Å; K112-Y117 PolarHBondContact N-OH 2.9Å; K112-T140 WeakPolarHBondContact O-CB 3.38Å; K112-T140 PolarHBondContact O-OG1 3.31Å
113P90.9Very high92.6Very high56 Ų5639 Ų3936%0.36422%0.224SC..THydrogen-bonded Turntrans-59.1155.4172.4-23.833.3000112.9S57 T115 T140 V143S57-P113 WeakPolarHBondContact O-CA 3.41Å; S57-P113 WeakPolarHBondContact O-CG 3.3Å; P113-T115 PolarHBondContact O-N 3.27Å; P113-T115 PolarHBondContact O-OG1 2.78Å; P113-T140 VanDerWaalsContact C-OG1 3.29Å; P113-V143 HydrophobicContact CB-CG2 4.1Å; P113-V143 HydrophobicContact CG-CG2 3.79Å
114E91.6Very high93.3Very high120 Ų12037.3 Ų37.356%0.56122%0.218SC*.THydrogen-bonded Turntrans49.326.7178.6-58.8-164.780.400115.8K139 T140 Q141 P142E114-K139 VanDerWaalsContact O-CE 3.28Å; E114-K139 WeakPolarHBondContact O-CE 3.47Å; E114-T140 WeakPolarHBondContact CA-O 3.39Å; E114-T140 PolarHBondContact N-O 3.39Å; E114-T140 PolarHBondContact N-OG1 3.37Å; E114-T140 VanDerWaalsContact N-OG1 3.08Å; E114-Q141 PolarHBondContact N-O 3.01Å; E114-P142 HydrophobicContact CG-CB 3.76Å
115T93Very high93.7Very high37 Ų3736.4 Ų36.423%0.22721%0.207CC..  trans-113.3133.7-174.7-56.70000109.5A84 K112 P113 Y117 T140A84-T115 HydrophobicContact CB-CG2 4.04Å; K112-T115 WeakPolarHBondContact CB-OG1 3.2Å; K112-T115 WeakPolarHBondContact O-CB 3.27Å; K112-T115 PolarHBondContact O-OG1 2.79Å; P113-T115 PolarHBondContact O-N 3.27Å; P113-T115 PolarHBondContact O-OG1 2.78Å; T115-Y117 HydrophobicContact CG2-CD2 4.16Å; T115-Y117 HydrophobicContact CG2-CE2 3.52Å; T115-Y117 WeakPolarHBondContact O-CD2 3.36Å; T115-T140 PolarHBondContact N-OG1 2.81Å; T115-T140 PolarHBondContact O-N 2.84Å; T115-T140 PolarHBondContact O-OG1 3.13Å; T115-T140 VanDerWaalsContact O-OG1 3.11Å
116T97.5Very high93.8Very high55 Ų5537.4 Ų37.434%0.33723%0.229SC..EExtended strand (participates in β ladder)trans-81.7129.6175.1-49.80000109.6A84 V85 F138A84-T116 WeakPolarHBondContact CA-O 3.45Å; V85-T116 HydrophobicContact CB-CG2 4.35Å; V85-T116 HydrophobicContact CG2-CG2 3.6Å; V85-T116 PolarHBondContact N-O 2.84Å; T116-F138 CarbonylContact C-O 3.54Å; T116-F138 WeakPolarHBondContact CA-O 3.5Å
117Y97.6Very high93.7Very high12 Ų1243 Ų435%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-121.5154.8177-71.5-91.6000110.6R83 A84 L111 K112 T115 E137 F138 T140R83-Y117 VanDerWaalsContact C-CD1 3.41Å; R83-Y117 CarbonylContact O-C 3.55Å; R83-Y117 VanDerWaalsContact O-CA 3.24Å; R83-Y117 WeakPolarHBondContact O-CA 3.33Å; R83-Y117 WeakPolarHBondContact O-CD1 3.29Å; A84-Y117 HydrophobicContact CB-CD1 4.13Å; A84-Y117 HydrophobicContact CB-CE1 3.8Å; L111-Y117 HydrophobicContact CB-CE2 3.91Å; L111-Y117 HydrophobicContact CD1-CD2 4.46Å; L111-Y117 HydrophobicContact CD2-CD1 3.99Å; L111-Y117 HydrophobicContact CD2-CD2 4.3Å; L111-Y117 HydrophobicContact CD2-CE1 3.84Å; L111-Y117 HydrophobicContact CD2-CE2 4.12Å; L111-Y117 HydrophobicContact CD2-CG 4.26Å; L111-Y117 HydrophobicContact CG-CE2 4.45Å; K112-Y117 WeakPolarHBondContact CB-OH 3.39Å; K112-Y117 PolarHBondContact N-OH 2.9Å; T115-Y117 HydrophobicContact CG2-CD2 4.16Å; T115-Y117 HydrophobicContact CG2-CE2 3.52Å; T115-Y117 WeakPolarHBondContact O-CD2 3.36Å; Y117-E137 CarbonylContact O-C 3.46Å; Y117-E137 VanDerWaalsContact O-CA 3.3Å; Y117-E137 WeakPolarHBondContact O-CA 3.24Å; Y117-F138 HydrophobicContact CD2-CE2 4.3Å; Y117-F138 HydrophobicContact CD2-CZ 4.46Å; Y117-F138 HydrophobicContact CG-CZ 4.24Å; Y117-F138 PolarHBondContact N-O 2.81Å; Y117-F138 PolarHBondContact O-N 3.36Å; Y117-T140 HydrophobicContact CD2-CG2 4.11Å; Y117-T140 HydrophobicContact CE2-CG2 4.1Å
118A97.9Very high93.8Very high5 Ų541.6 Ų41.64%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-110.9135.8163.500000108.8W82 R83 W90 A135 S136 E137W82-A118 CarbonylContact C-O 3.59Å; W82-A118 WeakPolarHBondContact CA-O 3.26Å; R83-A118 HydrophobicContact CG-CB 4.48Å; R83-A118 PolarHBondContact N-O 2.95Å; R83-A118 PolarHBondContact O-N 2.79Å; W90-A118 HydrophobicContact CH2-CB 4.08Å; W90-A118 WeakPolarHBondContact CZ3-O 3.22Å; A118-A135 HydrophobicContact CB-CB 4.44Å; A118-S136 CarbonylContact C-O 3.52Å; A118-S136 WeakPolarHBondContact CA-O 3.08Å; A118-E137 HydrophobicContact CB-CG 4.18Å
119V97.9Very high94Very high0 Ų045.2 Ų45.20%027%0.267CS..EExtended strand (participates in β ladder)trans-123.8144.5176.358.20000111.2I50 V53 V62 E81 W82 I108 A135 S136 F138I50-V119 HydrophobicContact CD1-CG1 4.46Å; V53-V119 HydrophobicContact CG2-CG1 3.88Å; V62-V119 HydrophobicContact CG2-CG1 4.39Å; V62-V119 HydrophobicContact CG2-CG2 4.17Å; E81-V119 CarbonylContact O-C 3.57Å; E81-V119 VanDerWaalsContact O-CA 3.29Å; E81-V119 WeakPolarHBondContact O-CA 3.17Å; W82-V119 HydrophobicContact CB-CB 4.39Å; I108-V119 HydrophobicContact CD1-CB 4.15Å; I108-V119 HydrophobicContact CD1-CG2 3.45Å; I108-V119 VanDerWaalsContact CD1-CG2 3.45Å; V119-A135 CarbonylContact O-C 3.6Å; V119-A135 VanDerWaalsContact O-CA 3.25Å; V119-A135 WeakPolarHBondContact O-CA 3.17Å; V119-S136 WeakPolarHBondContact CG1-O 3.45Å; V119-S136 PolarHBondContact N-O 3.06Å; V119-S136 PolarHBondContact O-N 3.34Å; V119-F138 HydrophobicContact CB-CE1 4.01Å; V119-F138 HydrophobicContact CG1-CD1 3.98Å; V119-F138 HydrophobicContact CG1-CE1 3.76Å
120R98.1Very high94.4Very high61 Ų6142.2 Ų42.223%0.2325%0.251CS..EExtended strand (participates in β ladder)trans-142.2153.6172.760.7-173.6-170.1176.85.2110.9E81 W90 I132E81-R120 HydrophobicContact CB-CG 3.95Å; E81-R120 PolarHBondContact N-O 2.81Å; E81-R120 PolarHBondContact O-N 2.93Å; E81-R120 IonicContact OE2-CZ 3.22Å; E81-R120 IonicContact OE2-NE 3.84Å; E81-R120 PolarHBondContact OE2-NE 3.29Å; E81-R120 IonicContact OE2-NH2 2.73Å; E81-R120 PolarHBondContact OE2-NH2 2.86Å; W90-R120 HydrophobicContact CE3-CG 4.27Å; W90-R120 HydrophobicContact CH2-CG 4.05Å; W90-R120 HydrophobicContact CZ3-CG 3.77Å; R120-I132 HydrophobicContact CB-CD1 4.46Å; R120-I132 HydrophobicContact CB-CG1 4.09Å; R120-I132 VanDerWaalsContact CD-CD1 3.41Å; R120-I132 HydrophobicContact CG-CD1 3.69Å; R120-I132 HydrophobicContact CG-CG1 3.87Å
121L98.1Very high94.9Very high0 Ų045.1 Ų45.10%025%0.246CC..EExtended strand (participates in β ladder)trans-120.6148-177.3-67.3175.9000111.5P48 I50 V62 F64 K79 A80 V106 I132 S133P48-L121 HydrophobicContact CB-CB 4.23Å; P48-L121 HydrophobicContact CG-CB 4.17Å; I50-L121 HydrophobicContact CD1-CD1 4.31Å; I50-L121 HydrophobicContact CD1-CG 4.07Å; I50-L121 HydrophobicContact CG1-CD1 3.76Å; I50-L121 HydrophobicContact CG1-CG 4.06Å; V62-L121 HydrophobicContact CG1-CD1 4.03Å; F64-L121 HydrophobicContact CB-CD1 3.48Å; F64-L121 VanDerWaalsContact CB-CD1 3.48Å; F64-L121 HydrophobicContact CD1-CD1 4.1Å; F64-L121 HydrophobicContact CD2-CD1 4.11Å; F64-L121 HydrophobicContact CG-CD1 3.61Å; K79-L121 CarbonylContact O-C 3.48Å; K79-L121 WeakPolarHBondContact O-CA 3.15Å; A80-L121 HydrophobicContact CB-CD2 3.53Å; V106-L121 HydrophobicContact CG2-CD2 3.87Å; L121-I132 WeakPolarHBondContact O-CA 3.45Å; L121-S133 PolarHBondContact N-OG 3.26Å; L121-S133 WeakPolarHBondContact O-CB 3.43Å; L121-S133 PolarHBondContact O-N 3.47Å
122A98.1Very high95.3Very high1 Ų147.7 Ų47.71%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-139.7148.5168.800000109.9Y78 K79 L129 I132Y78-A122 CarbonylContact C-O 3.6Å; Y78-A122 WeakPolarHBondContact CA-O 3.31Å; K79-A122 PolarHBondContact N-O 3.25Å; K79-A122 PolarHBondContact O-N 2.85Å; A122-L129 HydrophobicContact CB-CD1 3.78Å; A122-L129 HydrophobicContact CB-CG 4.28Å; A122-I132 HydrophobicContact CB-CB 4.34Å; A122-I132 HydrophobicContact CB-CD1 4.5Å; A122-I132 HydrophobicContact CB-CG1 4.18Å
123A97.8Very high95.7Very high0 Ų042.3 Ų42.30%024%0.237CC..EExtended strand (participates in β ladder)trans-101.5148.6177.200000111.5P45 P48 P67 I75 Y78 G130P45-A123 HydrophobicContact CB-CB 3.83Å; P45-A123 HydrophobicContact CG-CB 4.08Å; P48-A123 HydrophobicContact CG-CB 4.16Å; P67-A123 HydrophobicContact CG-CB 3.58Å; I75-A123 HydrophobicContact CD1-CB 4.15Å; I75-A123 HydrophobicContact CG2-CB 4.01Å; Y78-A123 HydrophobicContact CD1-CB 3.81Å; Y78-A123 HydrophobicContact CE1-CB 3.63Å; A123-G130 PolarHBondContact O-N 2.85Å
124L96.8Very high95.9Very high42 Ų4243.8 Ų43.822%0.2225%0.254CS..EExtended strand (participates in β ladder)trans-122.2125.1178.7171.770.5000109L76 K77 W94 G128 L129L76-L124 PolarHBondContact N-O 3Å; K77-L124 HydrophobicContact CB-CB 4.36Å; K77-L124 HydrophobicContact CB-CD2 4.27Å; K77-L124 PolarHBondContact N-O 2.86Å; K77-L124 PolarHBondContact O-N 3.48Å; W94-L124 HydrophobicContact CE3-CD2 4.46Å; W94-L124 HydrophobicContact CH2-CB 4.32Å; W94-L124 HydrophobicContact CH2-CD2 3.93Å; W94-L124 HydrophobicContact CZ3-CB 3.79Å; W94-L124 HydrophobicContact CZ3-CD2 3.7Å; W94-L124 HydrophobicContact CZ3-CG 4.33Å; L124-G128 WeakPolarHBondContact CD1-O 3.35Å; L124-L129 HydrophobicContact CB-CD1 4.34Å; L124-L129 HydrophobicContact CD1-CB 4.4Å
125N95.6Very high96.1Very high4 Ų441 Ų412%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-115-170.4171.573.64.7000111.1D43 P45 T70 V73 P74 I75 K127 G128D43-N125 PolarHBondContact O-ND2 2.89Å; P45-N125 VanDerWaalsContact CD-CG 3.5Å; P45-N125 WeakPolarHBondContact CD-ND2 3.44Å; P45-N125 HydrophobicContact CG-CB 3.76Å; T70-N125 PolarHBondContact O-ND2 3.07Å; V73-N125 HydrophobicContact CG2-CB 3.93Å; V73-N125 WeakPolarHBondContact CG2-ND2 3.4Å; P74-N125 WeakPolarHBondContact O-CB 3.38Å; I75-N125 HydrophobicContact CD1-CB 4.27Å; N125-K127 PolarHBondContact O-N 2.83Å; N125-K127 WeakPolarHBondContact OD1-CA 3.39Å; N125-K127 VanDerWaalsContact OD1-CB 3.29Å; N125-K127 WeakPolarHBondContact OD1-CB 3.48Å; N125-K127 PolarHBondContact OD1-N 2.92Å; N125-G128 PolarHBondContact N-O 3.34Å; N125-G128 VanDerWaalsContact N-O 3.13Å; N125-G128 PolarHBondContact O-N 2.93Å; N125-G128 PolarHBondContact OD1-N 3.48Å; N125-G128 PolarHBondContact OD1-O 2.85Å
126G89.4Confident96.3Very high66 Ų6641.1 Ų41.168%0.6825%0.253SS*.SBendtrans-64-20.5177.800000115.1
127K89.6Confident96.3Very high120 Ų12045 Ų4552%0.52227%0.268SS..SBendtrans-83.5-41.1176.3-177.661.7173.5-179.40111.9T44 N125T44-K127 HydrophobicContact CG2-CB 4.4Å; T44-K127 HydrophobicContact CG2-CG 3.98Å; N125-K127 PolarHBondContact O-N 2.83Å; N125-K127 WeakPolarHBondContact OD1-CA 3.39Å; N125-K127 VanDerWaalsContact OD1-CB 3.29Å; N125-K127 WeakPolarHBondContact OD1-CB 3.48Å; N125-K127 PolarHBondContact OD1-N 2.92Å
128G92.1Very high96.1Very high20 Ų2045.2 Ų45.221%0.20627%0.269CS..  trans160.2-172.6-178.600000114.3L124 N125L124-G128 WeakPolarHBondContact CD1-O 3.35Å; N125-G128 PolarHBondContact N-O 3.34Å; N125-G128 VanDerWaalsContact N-O 3.13Å; N125-G128 PolarHBondContact O-N 2.93Å; N125-G128 PolarHBondContact OD1-N 3.48Å; N125-G128 PolarHBondContact OD1-O 2.85Å
129L97Very high96Very high76 Ų7650.3 Ų50.340%0.39829%0.29SS..EExtended strand (participates in β ladder)trans-74.1127.9176.1-174.369.5000109.1K79 W94 A122 L124K79-L129 HydrophobicContact CB-CD1 4.45Å; W94-L129 HydrophobicContact CH2-CD1 3.93Å; W94-L129 HydrophobicContact CZ3-CD1 4.26Å; A122-L129 HydrophobicContact CB-CD1 3.78Å; A122-L129 HydrophobicContact CB-CG 4.28Å; L124-L129 HydrophobicContact CB-CD1 4.34Å; L124-L129 HydrophobicContact CD1-CB 4.4Å
130G96.9Very high95.7Very high11 Ų1150.5 Ų50.511%0.11329%0.291CS..EExtended strand (participates in β ladder)trans-80.2-171.9178.800000114.2P45 A123P45-G130 CarbonylContact O-C 3.58Å; P45-G130 WeakPolarHBondContact O-CA 3.45Å; A123-G130 PolarHBondContact O-N 2.85Å
131E97.1Very high95.1Very high131 Ų13151.4 Ų51.461%0.61230%0.298SS*.EExtended strand (participates in β ladder)trans-63.8146.1177-169.7170.4-166.300111.2P45 S47P45-E131 PolarHBondContact O-N 3.19Å; P45-E131 VanDerWaalsContact O-N 3.07Å; S47-E131 WeakPolarHBondContact CA-O 3.38Å
132I97.7Very high94.4Very high62 Ų6254.2 Ų54.232%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-93.1136.8-179.7-161.2153.8000110.3E81 R120 L121 A122E81-I132 WeakPolarHBondContact OE2-CD1 2.88Å; R120-I132 HydrophobicContact CB-CD1 4.46Å; R120-I132 HydrophobicContact CB-CG1 4.09Å; R120-I132 VanDerWaalsContact CD-CD1 3.41Å; R120-I132 HydrophobicContact CG-CD1 3.69Å; R120-I132 HydrophobicContact CG-CG1 3.87Å; L121-I132 WeakPolarHBondContact O-CA 3.45Å; A122-I132 HydrophobicContact CB-CB 4.34Å; A122-I132 HydrophobicContact CB-CD1 4.5Å; A122-I132 HydrophobicContact CB-CG1 4.18Å
133S98.1Very high93.6Very high9 Ų959 Ų596%0.06335%0.345CS..PPolyproline II helixtrans-61.6160.8178.680.10000111.6P48 I50 L121P48-S133 WeakPolarHBondContact O-CB 3.37Å; I50-S133 WeakPolarHBondContact CD1-OG 3.3Å; L121-S133 PolarHBondContact N-OG 3.26Å; L121-S133 WeakPolarHBondContact O-CB 3.43Å; L121-S133 PolarHBondContact O-N 3.47Å
134A95.1Very high91.9Very high88 Ų8866.5 Ų66.573%0.72738%0.38SS*.PPolyproline II helixtrans-54.7145.116200000110
135A96.2Very high89.6Confident61 Ų6168.9 Ų68.950%0.50440%0.401SS..PPolyproline II helixtrans-76131.6176.500000110.2W90 A118 V119W90-A135 HydrophobicContact CH2-CB 4.3Å; A118-A135 HydrophobicContact CB-CB 4.44Å; V119-A135 CarbonylContact O-C 3.6Å; V119-A135 VanDerWaalsContact O-CA 3.25Å; V119-A135 WeakPolarHBondContact O-CA 3.17Å
136S97.1Very high87.1Confident39 Ų3972.7 Ų72.727%0.27343%0.425SS..EExtended strand (participates in β ladder)trans-103.6129.6173.1-172.80000109.8A118 V119A118-S136 CarbonylContact C-O 3.52Å; A118-S136 WeakPolarHBondContact CA-O 3.08Å; V119-S136 WeakPolarHBondContact CG1-O 3.45Å; V119-S136 PolarHBondContact N-O 3.06Å; V119-S136 PolarHBondContact O-N 3.34Å
137E97.3Very high84.7Confident137 Ų13775 Ų7564%0.6443%0.428SS*.EExtended strand (participates in β ladder)trans-97.3138.9-180-68.1-172.7-178.600111.5Y117 A118Y117-E137 CarbonylContact O-C 3.46Å; Y117-E137 VanDerWaalsContact O-CA 3.3Å; Y117-E137 WeakPolarHBondContact O-CA 3.24Å; A118-E137 HydrophobicContact CB-CG 4.18Å
138F95.1Very high82.7Confident16 Ų1674.7 Ų74.77%0.0744%0.439CS..EExtended strand (participates in β ladder)trans-147.7159.5176.967.8-86.4000110.8V53 P55 A60 L111 T116 Y117 V119 T140V53-F138 HydrophobicContact CB-CB 4.29Å; V53-F138 HydrophobicContact CB-CD1 4.31Å; V53-F138 HydrophobicContact CB-CG 4.4Å; V53-F138 HydrophobicContact CG1-CB 4.04Å; V53-F138 HydrophobicContact CG1-CD1 3.58Å; V53-F138 HydrophobicContact CG1-CD2 4.21Å; V53-F138 HydrophobicContact CG1-CE1 4Å; V53-F138 HydrophobicContact CG1-CG 3.67Å; V53-F138 HydrophobicContact CG1-CZ 4.45Å; P55-F138 HydrophobicContact CB-CD2 3.8Å; A60-F138 HydrophobicContact CB-CD2 4.26Å; A60-F138 HydrophobicContact CB-CE1 4.39Å; A60-F138 HydrophobicContact CB-CE2 3.5Å; A60-F138 VanDerWaalsContact CB-CE2 3.5Å; A60-F138 HydrophobicContact CB-CZ 3.56Å; L111-F138 HydrophobicContact CD1-CE2 3.66Å; L111-F138 HydrophobicContact CD1-CZ 3.72Å; T116-F138 CarbonylContact C-O 3.54Å; T116-F138 WeakPolarHBondContact CA-O 3.5Å; Y117-F138 HydrophobicContact CD2-CE2 4.3Å; Y117-F138 HydrophobicContact CD2-CZ 4.46Å; Y117-F138 HydrophobicContact CG-CZ 4.24Å; Y117-F138 PolarHBondContact N-O 2.81Å; Y117-F138 PolarHBondContact O-N 3.36Å; V119-F138 HydrophobicContact CB-CE1 4.01Å; V119-F138 HydrophobicContact CG1-CD1 3.98Å; V119-F138 HydrophobicContact CG1-CE1 3.76Å; F138-T140 HydrophobicContact CE2-CG2 4.12Å
139K96.1Very high80.5Confident113 Ų11379.7 Ų79.749%0.49147%0.467SS..EExtended strand (participates in β ladder)trans-117.9128.1176.2-170-179.2178.3-174.60110.4P55 E114P55-K139 WeakPolarHBondContact CB-O 3.36Å; P55-K139 WeakPolarHBondContact CG-O 3.46Å; E114-K139 VanDerWaalsContact O-CE 3.28Å; E114-K139 WeakPolarHBondContact O-CE 3.47Å
140T90.1Very high77.8Confident3 Ų380.7 Ų80.72%0.01849%0.486CS..PPolyproline II helixtrans-67.1150.8174.7510000111.6Y56 L111 K112 P113 E114 T115 Y117 F138Y56-T140 VanDerWaalsContact O-CA 3.3Å; Y56-T140 WeakPolarHBondContact O-CA 3.34Å; Y56-T140 WeakPolarHBondContact O-CB 3.32Å; Y56-T140 WeakPolarHBondContact O-CG2 3.28Å; L111-T140 HydrophobicContact CB-CG2 3.84Å; L111-T140 HydrophobicContact CD1-CG2 3.83Å; K112-T140 WeakPolarHBondContact O-CB 3.38Å; K112-T140 PolarHBondContact O-OG1 3.31Å; P113-T140 VanDerWaalsContact C-OG1 3.29Å; E114-T140 WeakPolarHBondContact CA-O 3.39Å; E114-T140 PolarHBondContact N-O 3.39Å; E114-T140 PolarHBondContact N-OG1 3.37Å; E114-T140 VanDerWaalsContact N-OG1 3.08Å; T115-T140 PolarHBondContact N-OG1 2.81Å; T115-T140 PolarHBondContact O-N 2.84Å; T115-T140 PolarHBondContact O-OG1 3.13Å; T115-T140 VanDerWaalsContact O-OG1 3.11Å; Y117-T140 HydrophobicContact CD2-CG2 4.11Å; Y117-T140 HydrophobicContact CE2-CG2 4.1Å; F138-T140 HydrophobicContact CE2-CG2 4.12Å
141Q85.4Confident75.2Confident80 Ų8085.5 Ų85.537%0.37452%0.519SS..PPolyproline II helixtrans-77.2155.9-177.1-63.9-176.76.800111.7P55 Y56 S57 E114P55-Q141 WeakPolarHBondContact O-CG 3.43Å; P55-Q141 PolarHBondContact O-NE2 3.41Å; Y56-Q141 PolarHBondContact O-N 2.88Å; S57-Q141 WeakPolarHBondContact CA-O 3.28Å; E114-Q141 PolarHBondContact N-O 3.01Å
142P84.6Confident72.6Confident60 Ų6084 Ų8439%0.3953%0.528SS..PPolyproline II helixtrans-64.9158.7167.227.7-33.6000111.4E114 H144E114-P142 HydrophobicContact CG-CB 3.76Å; P142-H144 PolarHBondContact O-N 3.39Å
143V80.3Confident69.9Low101 Ų10187 Ų8761%0.61256%0.555SS**  trans-76.4114.2171.7-1770000108P113 S145P113-V143 HydrophobicContact CB-CG2 4.1Å; P113-V143 HydrophobicContact CG-CG2 3.79Å; V143-S145 PolarHBondContact O-N 2.81Å; V143-S145 VanDerWaalsContact O-N 3.16Å
144H62.3Low67Low157 Ų15791.6 Ų91.673%0.72759%0.587SS**  trans-70.6108.4174.6-80.3-73.7000110.4P142P142-H144 PolarHBondContact O-N 3.39Å
145S48.2Very low64.1Low93 Ų9393.1 Ų93.165%0.6559%0.592SS**PPolyproline II helixtrans-71.6138162.752.90000109.8V143V143-S145 PolarHBondContact O-N 2.81Å; V143-S145 VanDerWaalsContact O-N 3.16Å
146P44.2Very low61.5Low83 Ų8396.4 Ų96.454%0.53961%0.607SS.*PPolyproline II helixtrans-56.4142.4166.7-17.528.6000109.9
147P39.4Very low59.2Low115 Ų115100.2 Ų100.275%0.74763%0.63SS**PPolyproline II helixtrans-57.1139.1170.423-30.2000109
148P46.3Very low56.5Low114 Ų114100.5 Ų100.574%0.7464%0.641SS**PPolyproline II helixtrans-55.2140177.420.9-30.4000109.4A150P148-A150 PolarHBondContact O-N 2.77Å; P148-A150 VanDerWaalsContact O-N 3.12Å
149P46.6Very low54Low124 Ų124105.1 Ų105.181%0.80567%0.673SS**PPolyproline II helixtrans-56.8124.3177.121.6-30.1000108.6S151P149-S151 PolarHBondContact O-N 3.48Å; P149-S151 VanDerWaalsContact O-N 3.11Å
150A39.4Very low51.6Low97 Ų97108 Ų10880%0.80269%0.692SS**PPolyproline II helixtrans-52.5120.3178.100000109.3P148 A152P148-A150 PolarHBondContact O-N 2.77Å; P148-A150 VanDerWaalsContact O-N 3.12Å; A150-A152 PolarHBondContact O-N 2.85Å
151S42.3Very low49.4Very low113 Ų113113.3 Ų113.379%0.7973%0.73SS**  trans-55.1108.4172.7-56.60000108.8P149 S153P149-S151 PolarHBondContact O-N 3.48Å; P149-S151 VanDerWaalsContact O-N 3.11Å; S151-S153 PolarHBondContact O-N 2.87Å
152A42Very low47.6Very low98 Ų98115.2 Ų115.281%0.8175%0.749SS**  trans-58.1112.2172.200000107.9A150 S154A150-A152 PolarHBondContact O-N 2.85Å; A152-S154 PolarHBondContact O-N 3.12Å; A152-S154 VanDerWaalsContact O-N 3.1Å
153S41.1Very low45.7Very low126 Ų126118.3 Ų118.388%0.88177%0.769SS**  trans-73.297.3177-55.40000108.3S151S151-S153 PolarHBondContact O-N 2.87Å
154S37.2Very low43.5Very low106 Ų106121.3 Ų121.374%0.74178%0.782SS**  trans-101.7103.3162.667.50000108.9A152 T156A152-S154 PolarHBondContact O-N 3.12Å; A152-S154 VanDerWaalsContact O-N 3.1Å; S154-T156 PolarHBondContact O-N 3.02Å
155S35.7Very low42.5Very low119 Ų119119.5 Ų119.583%0.83278%0.782SS**  trans-51.9122.9173.650.10000112.7
156T41.6Very low41.9Very low131 Ų131121.6 Ų121.680%0.80479%0.791SS**  trans-139.6131.9152.524.40000108.2S154S154-T156 PolarHBondContact O-N 3.02Å
157P48.8Very low42Very low119 Ų119129.3 Ų129.377%0.77381%0.81SS**  trans-102.4120.9-175.234.3-25.7000111.7
158V40.4Very low42.3Very low143 Ų143129.6 Ų129.687%0.86781%0.812SS**  trans-161.5161.5154.7-123.90000110.6
159P42.6Very low42.3Very low113 Ų113132.1 Ų132.173%0.73482%0.818SS**  -114.2167.5-113.831-10.5000115.2
160L45.1Very low42.2Very low172 Ų172131.9 Ų131.990%0.90182%0.816SS**  trans-20.5129171.6-71.4146.2000118.3
161S43.5Very low42.4Very low115 Ų115132.1 Ų132.180%0.80482%0.818SS**  trans-152148.1150.3-64.60000110
162P48.5Very low42.5Very low121 Ų121134.2 Ų134.279%0.78682%0.819SS**  trans-85.9167.9-157.934.6-35.5000114.7
163P43.5Very low42.6Very low124 Ų124134.4 Ų134.481%0.80582%0.821SS**  trans-87.5131.6-171.933.9-29.9000111.6
164D34.5Very low42.5Very low164 Ų164134.3 Ų134.388%0.87782%0.816SS**  trans-108.1120161.1-100.3-27.1000111
165T42.2Very low43Very low119 Ų119135.6 Ų135.673%0.7382%0.819SS**  trans-33.1122.3161.7-46.70000114.8
166T35.7Very low43.9Very low138 Ų138138.1 Ų138.185%0.84782%0.818SS**  -173.8130.8124.4-0.60000111.8
167W45.5Very low44.9Very low245 Ų245137.6 Ų137.693%0.92882%0.816SS**PPolyproline II helixtrans-66.1142172.8-71.491.9000112.4
168P46.2Very low45.8Very low121 Ų121133.3 Ų133.379%0.78679%0.791SS**PPolyproline II helixtrans-102.5156.7166.234-24.2000113.8
169L45.2Very low47.7Very low166 Ų166132.6 Ų132.687%0.86977%0.773SS**PPolyproline II helixtrans-56166-176.4-73.7153.4000116.4
170P46.1Very low49.6Very low120 Ų120132.8 Ų132.878%0.77976%0.764SS**PPolyproline II helixtrans-68131.2-175.127.2-33.7000112.5L172P170-L172 PolarHBondContact O-N 3.45Å
171A43.3Very low51.5Low101 Ų101124.9 Ų124.984%0.83572%0.723SS**PPolyproline II helixtrans-67.3123.8-177.300000112.1
172L44.2Very low53.5Low157 Ų157121.9 Ų121.982%0.82270%0.702SS**PPolyproline II helixtrans-58.6143.4159.5-77153.9000109.6P170 T174P170-L172 PolarHBondContact O-N 3.45Å; L172-T174 PolarHBondContact O-N 2.82Å
173A43.6Very low55.2Low102 Ų102117.8 Ų117.884%0.84368%0.678SS**  trans-56104174.700000110.5T175A173-T175 PolarHBondContact O-N 3.2Å; A173-T175 VanDerWaalsContact O-N 3.14Å
174T38.6Very low57.3Low125 Ų125112.1 Ų112.177%0.76764%0.641SS**  trans-74.499.1170.1-45.40000107.3L172 E176L172-T174 PolarHBondContact O-N 2.82Å; T174-E176 PolarHBondContact O-N 2.77Å
175T49Very low59.8Low132 Ų132110.5 Ų110.581%0.8163%0.626SS**  trans-54.4109.5160.915.40000107.7A173A173-T175 PolarHBondContact O-N 3.2Å; A173-T175 VanDerWaalsContact O-N 3.14Å
176E55.1Low62Low172 Ų172106 Ų10680%0.80460%0.598SS**PPolyproline II helixtrans-55.4140.5170.2-80.7-172.3128.600109.3T174 A178T174-E176 PolarHBondContact O-N 2.77Å; E176-A178 PolarHBondContact O-N 3.33Å
177P62.3Low64.4Low120 Ų120104.6 Ų104.678%0.77958%0.581SS**PPolyproline II helixtrans-62.7125.7178.725-32000109.7R179P177-R179 PolarHBondContact O-N 3.03Å
178A67.1Low66.3Low29 Ų2994.5 Ų94.524%0.2455%0.553CS.*PPolyproline II helixtrans-55.6134.9177.400000110.8E176 S209 Q259E176-A178 PolarHBondContact O-N 3.33Å; A178-S209 WeakPolarHBondContact CB-OG 3.17Å; A178-Q259 HydrophobicContact CB-CG 3.59Å; A178-Q259 WeakPolarHBondContact O-CG 3.22Å; A178-Q259 PolarHBondContact O-NE2 2.92Å
179R81.1Confident68.2Low129 Ų12991.9 Ų91.949%0.48753%0.531SS..  trans-120.4172.9-178.162178.8179.5161.6-0.1111.6P177 D205 G207 N257P177-R179 PolarHBondContact O-N 3.03Å; R179-D205 IonicContact CZ-OD2 3.86Å; R179-D205 IonicContact NE-OD2 2.82Å; R179-D205 IonicContact NH2-OD2 2.87Å; R179-D205 PolarHBondContact NH2-OD2 2.95Å; R179-G207 WeakPolarHBondContact CG-O 3.34Å; R179-G207 PolarHBondContact N-O 3.35Å; R179-N257 PolarHBondContact O-ND2 3.06Å
180E80.8Confident70Confident117 Ų11787.7 Ų87.755%0.54751%0.508SS..PPolyproline II helixtrans-62.7148.6175.7-65.8178.6163.800111.5
181P86.4Confident71.5Confident6 Ų683 Ų834%0.03948%0.482CS..PPolyproline II helixtrans-74.4155.5-178.527.7-23.5000110.8I211 A255 N257 S262P181-I211 HydrophobicContact CB-CD1 4.4Å; P181-I211 HydrophobicContact CB-CG1 4.16Å; P181-A255 HydrophobicContact CB-CB 4.18Å; P181-A255 HydrophobicContact CG-CB 3.97Å; P181-A255 WeakPolarHBondContact CG-O 3.25Å; P181-N257 VanDerWaalsContact CD-CG 3.49Å; P181-N257 HydrophobicContact CG-CB 4.08Å; P181-S262 VanDerWaalsContact O-CA 3.22Å; P181-S262 WeakPolarHBondContact O-CA 3.44Å; P181-S262 WeakPolarHBondContact O-CB 3.45Å
182S84.8Confident73Confident52 Ų5286.3 Ų86.336%0.36448%0.48SS..PPolyproline II helixtrans-72.8149.7172.3-70.80000111.2D205S182-D205 PolarHBondContact N-O 3.4Å
183A84.8Confident74.5Confident34 Ų3482.4 Ų82.428%0.28146%0.46SS..PPolyproline II helixtrans-60.2132.4177.400000110Q204 K263 A265A183-Q204 WeakPolarHBondContact O-CG 3.39Å; A183-K263 HydrophobicContact CB-CB 4.1Å; A183-K263 WeakPolarHBondContact CB-O 3.38Å; A183-A265 HydrophobicContact CB-CB 4.47Å
184P86.7Confident76Confident5 Ų577.9 Ų77.93%0.03242%0.423CS..PPolyproline II helixtrans-62.5153.7176.624.5-30.3000110.7Y214 V253 A265P184-Y214 HydrophobicContact CB-CE1 4.38Å; P184-Y214 HydrophobicContact CG-CD1 4.43Å; P184-Y214 HydrophobicContact CG-CE1 4.43Å; P184-V253 HydrophobicContact CG-CB 4.07Å; P184-V253 HydrophobicContact CG-CG1 3.69Å; P184-A265 HydrophobicContact CG-CB 3.92Å; P184-A265 WeakPolarHBondContact O-CB 3.01Å
185K86.9Confident78.1Confident130 Ų13073.5 Ų73.557%0.56540%0.395SS*.EExtended strand (participates in β ladder)trans-88.2141.4165.7-72.6179.5-177.8-179.90108.7I202 Q204K185-I202 HydrophobicContact CB-CB 3.95Å; K185-I202 HydrophobicContact CB-CD1 4.32Å; K185-I202 HydrophobicContact CB-CG2 4.44Å; K185-I202 PolarHBondContact N-O 3.39Å; K185-I202 PolarHBondContact O-N 3.21Å; K185-Q204 HydrophobicContact CG-CG 4.4Å
186L88Confident79.8Confident24 Ų2467.5 Ų67.513%0.12636%0.359CS..EExtended strand (participates in β ladder)trans-117.9131.9-176.6-59.8178.1000109.8V199 N200 L201 V253 A265 F267L186-V199 HydrophobicContact CB-CG1 4.22Å; L186-V199 HydrophobicContact CD2-CG1 4.07Å; L186-N200 WeakPolarHBondContact CA-O 3.04Å; L186-L201 HydrophobicContact CD2-CG 4.25Å; L186-V253 HydrophobicContact CD1-CB 3.95Å; L186-V253 HydrophobicContact CD1-CG2 3.61Å; L186-V253 HydrophobicContact CD2-CB 3.76Å; L186-V253 HydrophobicContact CD2-CG1 4.27Å; L186-V253 HydrophobicContact CD2-CG2 3.5Å; L186-V253 HydrophobicContact CG-CB 4.36Å; L186-V253 HydrophobicContact CG-CG2 4.18Å; L186-A265 HydrophobicContact CD1-CB 3.69Å; L186-A265 HydrophobicContact CG-CB 3.76Å; L186-F267 HydrophobicContact CB-CB 3.85Å; L186-F267 HydrophobicContact CB-CG 4.33Å; L186-F267 HydrophobicContact CD1-CB 3.82Å
187E86.3Confident81.4Confident109 Ų10959.4 Ų59.451%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-129.2139.5173.1-66-178.2175.500108.7V199 N200 I202E187-V199 CarbonylContact O-C 3.58Å; E187-V199 WeakPolarHBondContact O-CA 2.92Å; E187-N200 HydrophobicContact CB-CB 4.4Å; E187-N200 PolarHBondContact N-O 2.73Å; E187-N200 PolarHBondContact O-N 2.95Å; E187-I202 VanDerWaalsContact CD-CD1 3.46Å; E187-I202 HydrophobicContact CG-CD1 3.9Å; E187-I202 WeakPolarHBondContact OE1-CD1 3.48Å
188G86.5Confident82.7Confident33 Ų3354.7 Ų54.734%0.3429%0.288SS..EExtended strand (participates in β ladder)trans-114.4130.5-176.900000112.1
189Q85.2Confident83.8Confident67 Ų6753.3 Ų53.331%0.31328%0.277SS..EExtended strand (participates in β ladder)trans-117.6118.3171-66.4172.5-8.700108.6E103 I197 K198 N200E103-Q189 PolarHBondContact OE1-NE2 3.47Å; E103-Q189 VanDerWaalsContact OE1-NE2 3.1Å; Q189-I197 WeakPolarHBondContact O-CG1 3.37Å; Q189-K198 HydrophobicContact CB-CB 4.41Å; Q189-K198 PolarHBondContact N-O 3.11Å; Q189-K198 PolarHBondContact O-N 2.86Å; Q189-N200 PolarHBondContact NE2-ND2 3.46Å
190M83.4Confident84Confident77 Ų7748.3 Ų48.338%0.37926%0.259SS..EExtended strand (participates in β ladder)trans-67.3135.2178.1-72.6-61.1-61.700110.8G194 I197 F269M190-G194 WeakPolarHBondContact CE-O 3.41Å; M190-I197 HydrophobicContact SD-CB 4.1Å; M190-I197 HydrophobicContact SD-CD1 3.94Å; M190-I197 HydrophobicContact SD-CG1 4.08Å; M190-F269 HydrophobicContact SD-CD2 4.05Å
191G76.9Confident84.3Confident23 Ų2343 Ų4324%0.23724%0.235CC..  trans-70.515517400000112.2D193 G194 S196G191-D193 PolarHBondContact O-N 2.79Å; G191-D193 VanDerWaalsContact O-N 3.17Å; G191-G194 PolarHBondContact O-N 3.31Å; G191-S196 PolarHBondContact N-O 3.01Å
192E75.3Confident84.2Confident170 Ų17045.6 Ų45.679%0.79425%0.248SC*.THydrogen-bonded Turntrans-58.8-25.7177.5-68171.3-15100112.8K98 G194K98-E192 IonicContact NZ-OE1 2.86Å; K98-E192 PolarHBondContact NZ-OE1 3.26Å; E192-G194 VanDerWaalsContact C-N 3.27Å; E192-G194 PolarHBondContact O-N 3.39Å
193D75.1Confident84.1Confident75 Ų7547.3 Ų47.340%0.40125%0.248SC..THydrogen-bonded Turntrans-73.1-14.4175.759.7-3000113.4G191 N195 S196 W245G191-D193 PolarHBondContact O-N 2.79Å; G191-D193 VanDerWaalsContact O-N 3.17Å; D193-N195 PolarHBondContact O-N 2.86Å; D193-N195 PolarHBondContact OD2-OD1 2.87Å; D193-S196 VanDerWaalsContact OD1-CB 3.29Å; D193-S196 WeakPolarHBondContact OD1-CB 3.22Å; D193-S196 PolarHBondContact OD1-N 2.92Å; D193-S196 VanDerWaalsContact OD1-N 3.12Å; D193-S196 PolarHBondContact OD1-OG 2.85Å; D193-S196 VanDerWaalsContact OD2-CB 3.3Å; D193-S196 WeakPolarHBondContact OD2-CB 3.48Å; D193-S196 PolarHBondContact OD2-OG 2.8Å; D193-S196 VanDerWaalsContact OD2-OG 3.05Å; D193-W245 WeakPolarHBondContact O-CH2 3.36Å; D193-W245 VanDerWaalsContact O-CZ3 3.28Å; D193-W245 WeakPolarHBondContact O-CZ3 3.38Å
194G76Confident84.1Confident7 Ų749 Ų497%0.07225%0.251CS..SBendtrans72.4-9.1177.200000115.5M190 G191 E192 S272M190-G194 WeakPolarHBondContact CE-O 3.41Å; G191-G194 PolarHBondContact O-N 3.31Å; E192-G194 VanDerWaalsContact C-N 3.27Å; E192-G194 PolarHBondContact O-N 3.39Å; G194-S272 WeakPolarHBondContact O-CB 3.34Å; G194-S272 PolarHBondContact O-N 2.75Å
195N82.2Confident83.9Confident32 Ų3251.8 Ų51.817%0.17127%0.265CS..SBendtrans-119.616.4174.473.4-16.9000113.2D193 S242 L243 W245D193-N195 PolarHBondContact O-N 2.86Å; D193-N195 PolarHBondContact OD2-OD1 2.87Å; N195-S242 PolarHBondContact O-N 3.2Å; N195-L243 WeakPolarHBondContact O-CB 3.48Å; N195-L243 PolarHBondContact O-N 2.73Å; N195-W245 HydrophobicContact CB-CD2 3.95Å; N195-W245 HydrophobicContact CB-CE3 3.91Å; N195-W245 HydrophobicContact CB-CH2 3.77Å; N195-W245 HydrophobicContact CB-CZ2 3.77Å; N195-W245 HydrophobicContact CB-CZ3 3.81Å
196S85.9Confident83.5Confident7 Ų748.6 Ų48.65%0.04925%0.254CS..  trans-127.3157.1165.6770000111.6G191 D193 L240G191-S196 PolarHBondContact N-O 3.01Å; D193-S196 VanDerWaalsContact OD1-CB 3.29Å; D193-S196 WeakPolarHBondContact OD1-CB 3.22Å; D193-S196 PolarHBondContact OD1-N 2.92Å; D193-S196 VanDerWaalsContact OD1-N 3.12Å; D193-S196 PolarHBondContact OD1-OG 2.85Å; D193-S196 VanDerWaalsContact OD2-CB 3.3Å; D193-S196 WeakPolarHBondContact OD2-CB 3.48Å; D193-S196 PolarHBondContact OD2-OG 2.8Å; D193-S196 VanDerWaalsContact OD2-OG 3.05Å; S196-L240 CarbonylContact C-O 3.56Å; S196-L240 WeakPolarHBondContact CA-O 3.34Å; S196-L240 WeakPolarHBondContact CB-O 3.34Å
197I88.2Confident83.1Confident2 Ų247.6 Ų47.61%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-137.9135.8173-169.2170.5000109.8Q189 M190 V199 L240 L243 F267 F269Q189-I197 WeakPolarHBondContact O-CG1 3.37Å; M190-I197 HydrophobicContact SD-CB 4.1Å; M190-I197 HydrophobicContact SD-CD1 3.94Å; M190-I197 HydrophobicContact SD-CG1 4.08Å; I197-V199 HydrophobicContact CD1-CG2 4.43Å; I197-V199 HydrophobicContact CG1-CG2 4.32Å; I197-V199 HydrophobicContact CG2-CG2 4.01Å; I197-L240 HydrophobicContact CG2-CB 3.87Å; I197-L240 HydrophobicContact CG2-CD1 4.14Å; I197-L240 HydrophobicContact CG2-CG 4.33Å; I197-L240 PolarHBondContact N-O 3Å; I197-L240 PolarHBondContact O-N 2.85Å; I197-L243 HydrophobicContact CG2-CD1 3.93Å; I197-F267 HydrophobicContact CD1-CE1 3.84Å; I197-F269 HydrophobicContact CB-CD2 4.42Å; I197-F269 HydrophobicContact CB-CE2 4.05Å; I197-F269 HydrophobicContact CB-CZ 4.29Å; I197-F269 HydrophobicContact CD1-CB 3.86Å; I197-F269 HydrophobicContact CD1-CD1 3.73Å; I197-F269 HydrophobicContact CD1-CD2 3.51Å; I197-F269 HydrophobicContact CD1-CE1 4.13Å; I197-F269 HydrophobicContact CD1-CE2 3.94Å; I197-F269 HydrophobicContact CD1-CG 3.4Å; I197-F269 VanDerWaalsContact CD1-CG 3.4Å; I197-F269 HydrophobicContact CD1-CZ 4.24Å; I197-F269 HydrophobicContact CG2-CD2 4.35Å; I197-F269 HydrophobicContact CG2-CE1 3.89Å; I197-F269 HydrophobicContact CG2-CE2 3.65Å; I197-F269 HydrophobicContact CG2-CZ 3.4Å
198K89.9Confident82.6Confident21 Ų2145.3 Ų45.39%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-90.1109.3165.7-172.2177.1179177.50107.2E99 Q189 H237 M239E99-K198 IonicContact OE1-NZ 2.69Å; E99-K198 PolarHBondContact OE1-NZ 3.44Å; E99-K198 IonicContact OE2-NZ 3.62Å; Q189-K198 HydrophobicContact CB-CB 4.41Å; Q189-K198 PolarHBondContact N-O 3.11Å; Q189-K198 PolarHBondContact O-N 2.86Å; K198-H237 VanDerWaalsContact CE-CG 3.49Å; K198-H237 HydrophobicContact CG-CB 3.97Å; K198-M239 HydrophobicContact CB-CE 3.75Å; K198-M239 HydrophobicContact CB-SD 3.97Å; K198-M239 HydrophobicContact CD-CE 4.11Å; K198-M239 HydrophobicContact CG-CE 3.93Å
199V89.9Confident82.1Confident0 Ų044.4 Ų44.40%024%0.244CC..EExtended strand (participates in β ladder)trans-94.4112172.4-177.60000107.3L186 E187 I197 L201 H237 V238 L240L186-V199 HydrophobicContact CB-CG1 4.22Å; L186-V199 HydrophobicContact CD2-CG1 4.07Å; E187-V199 CarbonylContact O-C 3.58Å; E187-V199 WeakPolarHBondContact O-CA 2.92Å; I197-V199 HydrophobicContact CD1-CG2 4.43Å; I197-V199 HydrophobicContact CG1-CG2 4.32Å; I197-V199 HydrophobicContact CG2-CG2 4.01Å; V199-L201 WeakPolarHBondContact O-CD1 3.38Å; V199-H237 CarbonylContact O-C 3.59Å; V199-H237 VanDerWaalsContact O-CA 3.25Å; V199-H237 WeakPolarHBondContact O-CA 3.34Å; V199-V238 HydrophobicContact CB-CG1 3.71Å; V199-V238 HydrophobicContact CG1-CG1 4.39Å; V199-V238 HydrophobicContact CG2-CG1 4.44Å; V199-V238 PolarHBondContact N-O 3Å; V199-V238 PolarHBondContact O-N 3.42Å; V199-L240 HydrophobicContact CG2-CD1 4.32Å
200N85.7Confident81.9Confident23 Ų2346 Ų4612%0.12326%0.26CS..EExtended strand (participates in β ladder)trans-78.1131.2175.9-66.6-34.4000109.6L186 E187 Q189 H237L186-N200 WeakPolarHBondContact CA-O 3.04Å; E187-N200 HydrophobicContact CB-CB 4.4Å; E187-N200 PolarHBondContact N-O 2.73Å; E187-N200 PolarHBondContact O-N 2.95Å; Q189-N200 PolarHBondContact NE2-ND2 3.46Å; N200-H237 WeakPolarHBondContact OD1-CB 3.3Å
201L86.3Confident81.9Confident6 Ų643.1 Ų43.13%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-101.199.2177.7-72.682.7000108.7L186 V199 K203 Y214 L231 D236 V238 V253L186-L201 HydrophobicContact CD2-CG 4.25Å; V199-L201 WeakPolarHBondContact O-CD1 3.38Å; L201-K203 PolarHBondContact O-N 3.41Å; L201-Y214 HydrophobicContact CD2-CD1 3.89Å; L201-Y214 HydrophobicContact CD2-CD2 4.02Å; L201-Y214 HydrophobicContact CD2-CE1 4.46Å; L201-Y214 HydrophobicContact CD2-CG 3.64Å; L201-L231 HydrophobicContact CD1-CD1 4.22Å; L201-L231 HydrophobicContact CD2-CD1 4Å; L201-D236 PolarHBondContact N-O 2.95Å; L201-V238 HydrophobicContact CD1-CB 4.11Å; L201-V238 HydrophobicContact CD1-CG1 3.87Å; L201-V253 HydrophobicContact CD2-CG1 3.66Å; L201-V253 HydrophobicContact CG-CG1 4.28Å
202I84.1Confident82.3Confident60 Ų6049 Ų4931%0.30826%0.261SS..EExtended strand (participates in β ladder)trans-83.3105.9174.8-56.7171.8000107.6K185 E187 Q204K185-I202 HydrophobicContact CB-CB 3.95Å; K185-I202 HydrophobicContact CB-CD1 4.32Å; K185-I202 HydrophobicContact CB-CG2 4.44Å; K185-I202 PolarHBondContact N-O 3.39Å; K185-I202 PolarHBondContact O-N 3.21Å; E187-I202 VanDerWaalsContact CD-CD1 3.46Å; E187-I202 HydrophobicContact CG-CD1 3.9Å; E187-I202 WeakPolarHBondContact OE1-CD1 3.48Å; I202-Q204 PolarHBondContact O-N 2.48Å
203K82.3Confident82.7Confident88 Ų8842.8 Ų42.838%0.38323%0.232SC..  trans-58.1137.1178.3-53.5-165.4169.968.10109.8L201 Y214 S233 S235L201-K203 PolarHBondContact O-N 3.41Å; K203-Y214 WeakPolarHBondContact CD-OH 3.15Å; K203-Y214 VanDerWaalsContact CG-OH 3.26Å; K203-Y214 WeakPolarHBondContact CG-OH 3.3Å; K203-S233 WeakPolarHBondContact CE-O 3.28Å; K203-S235 PolarHBondContact NZ-O 3.15Å
204Q86.1Confident83.3Confident71 Ų7139.2 Ų39.233%0.33221%0.213SC..  trans-114-170.6174.9-62.5-61.6-76.900109.1A183 K185 I202 D206A183-Q204 WeakPolarHBondContact O-CG 3.39Å; K185-Q204 HydrophobicContact CG-CG 4.4Å; I202-Q204 PolarHBondContact O-N 2.48Å; Q204-D206 PolarHBondContact O-N 2.93Å
205D81.2Confident84Confident63 Ų6339 Ų3934%0.33721%0.21SC..  trans-49.4126.1176.1176.830.2000111.8R179 S182 G207R179-D205 IonicContact CZ-OD2 3.86Å; R179-D205 IonicContact NE-OD2 2.82Å; R179-D205 IonicContact NH2-OD2 2.87Å; R179-D205 PolarHBondContact NH2-OD2 2.95Å; S182-D205 PolarHBondContact N-O 3.4Å; D205-G207 VanDerWaalsContact C-N 3.26Å; D205-G207 PolarHBondContact O-N 3.15Å; D205-G207 PolarHBondContact OD1-N 3.31Å; D205-G207 VanDerWaalsContact OD1-N 3.11Å
206D78.6Confident84.4Confident62 Ų6237.5 Ų37.533%0.33220%0.202SC..  trans-84.2-3.7-178.268.9-0.5000112.7Q204 G208 S209 I211 N257Q204-D206 PolarHBondContact O-N 2.93Å; D206-G208 VanDerWaalsContact C-N 3.29Å; D206-G208 PolarHBondContact O-N 3.46Å; D206-G208 PolarHBondContact OD1-N 2.81Å; D206-S209 WeakPolarHBondContact CB-O 3.32Å; D206-I211 HydrophobicContact CB-CD1 4.31Å; D206-I211 HydrophobicContact CB-CG1 4.06Å; D206-N257 PolarHBondContact O-ND2 2.95Å
207G79.3Confident84.6Confident4 Ų442 Ų424%0.04122%0.218CC..THydrogen-bonded Turntrans73.620.3179.300000113.4R179 D205R179-G207 WeakPolarHBondContact CG-O 3.34Å; R179-G207 PolarHBondContact N-O 3.35Å; D205-G207 VanDerWaalsContact C-N 3.26Å; D205-G207 PolarHBondContact O-N 3.15Å; D205-G207 PolarHBondContact OD1-N 3.31Å; D205-G207 VanDerWaalsContact OD1-N 3.11Å
208G75.7Confident84.7Confident60 Ų6043.6 Ų43.662%0.61922%0.224SC*.THydrogen-bonded Turntrans81.614.6179.800000113.8D206D206-G208 VanDerWaalsContact C-N 3.29Å; D206-G208 PolarHBondContact O-N 3.46Å; D206-G208 PolarHBondContact OD1-N 2.81Å
209S76.1Confident84.6Confident15 Ų1546.1 Ų46.111%0.10523%0.233CC..SBendtrans-144.4135.1171.5-80.30000110.6A178 D206 I211A178-S209 WeakPolarHBondContact CB-OG 3.17Å; D206-S209 WeakPolarHBondContact CB-O 3.32Å; S209-I211 PolarHBondContact O-N 3.1Å
210P81.4Confident84.5Confident99 Ų9946.2 Ų46.264%0.64323%0.234SC*.  trans-61.1132.2-173.721.7-30.6000111.2R212P210-R212 PolarHBondContact O-N 3.42Å
211I84.8Confident84.4Confident18 Ų1849.5 Ų49.59%0.09225%0.251CS..  trans-58.9132.9170.9-61.2168000107.6P181 D206 S209 Y214 S233 A255P181-I211 HydrophobicContact CB-CD1 4.4Å; P181-I211 HydrophobicContact CB-CG1 4.16Å; D206-I211 HydrophobicContact CB-CD1 4.31Å; D206-I211 HydrophobicContact CB-CG1 4.06Å; S209-I211 PolarHBondContact O-N 3.1Å; I211-Y214 HydrophobicContact CD1-CE1 4.26Å; I211-Y214 VanDerWaalsContact CD1-OH 3.29Å; I211-Y214 WeakPolarHBondContact CD1-OH 3.4Å; I211-Y214 HydrophobicContact CG2-CE1 4.16Å; I211-Y214 HydrophobicContact CG2-CE2 4.08Å; I211-S233 WeakPolarHBondContact O-CB 3.4Å; I211-A255 HydrophobicContact CD1-CB 4Å; I211-A255 HydrophobicContact CG1-CB 4.36Å; I211-A255 HydrophobicContact CG2-CB 4.16Å
212R84.5Confident83.8Confident147 Ų14754.3 Ų54.356%0.55529%0.285SS*.  trans-92.4-42.4-178.6-69.3-176.3172.6-176.6-0.7111.7P210 S233 E256P210-R212 PolarHBondContact O-N 3.42Å; R212-S233 WeakPolarHBondContact O-CB 3.29Å; R212-S233 PolarHBondContact O-N 2.96Å; R212-E256 PolarHBondContact N-O 2.83Å
213H83.7Confident83.8Confident38 Ų3853.9 Ų53.918%0.17629%0.287CS..EExtended strand (participates in β ladder)trans-159.5161.7179.355.6-83.6000110.9L215 R230 L231 E256H213-L215 VanDerWaalsContact CD2-CD2 3.5Å; H213-L215 WeakPolarHBondContact CD2-CD2 3.22Å; H213-R230 PolarHBondContact NE2-NH1 2.84Å; H213-L231 CarbonylContact C-O 3.54Å; H213-L231 WeakPolarHBondContact CA-O 3.49Å; H213-L231 WeakPolarHBondContact CB-O 3.42Å; H213-E256 VanDerWaalsContact CE1-CD 3.47Å; H213-E256 IonicContact CE1-OE1 2.65Å; H213-E256 IonicContact CE1-OE2 3.18Å; H213-E256 IonicContact NE2-OE1 2.83Å; H213-E256 IonicContact NE2-OE2 3.54Å; H213-E256 PolarHBondContact NE2-OE2 2.81Å; H213-E256 PolarHBondContact O-N 2.91Å
214Y88.4Confident84Confident1 Ų157.5 Ų57.50%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-106.3138.2169.2-61.1-88.9000110P184 L201 K203 I211 R230 L231 V253 V254 A255P184-Y214 HydrophobicContact CB-CE1 4.38Å; P184-Y214 HydrophobicContact CG-CD1 4.43Å; P184-Y214 HydrophobicContact CG-CE1 4.43Å; L201-Y214 HydrophobicContact CD2-CD1 3.89Å; L201-Y214 HydrophobicContact CD2-CD2 4.02Å; L201-Y214 HydrophobicContact CD2-CE1 4.46Å; L201-Y214 HydrophobicContact CD2-CG 3.64Å; K203-Y214 WeakPolarHBondContact CD-OH 3.15Å; K203-Y214 VanDerWaalsContact CG-OH 3.26Å; K203-Y214 WeakPolarHBondContact CG-OH 3.3Å; I211-Y214 HydrophobicContact CD1-CE1 4.26Å; I211-Y214 VanDerWaalsContact CD1-OH 3.29Å; I211-Y214 WeakPolarHBondContact CD1-OH 3.4Å; I211-Y214 HydrophobicContact CG2-CE1 4.16Å; I211-Y214 HydrophobicContact CG2-CE2 4.08Å; Y214-R230 WeakPolarHBondContact O-CA 3.47Å; Y214-L231 PolarHBondContact N-O 3.05Å; Y214-L231 PolarHBondContact O-N 2.56Å; Y214-V253 HydrophobicContact CD1-CG1 4.17Å; Y214-V254 CarbonylContact C-O 3.57Å; Y214-V254 VanDerWaalsContact CA-O 3.31Å; Y214-V254 WeakPolarHBondContact CA-O 3.49Å; Y214-A255 HydrophobicContact CD1-CB 3.84Å; Y214-A255 HydrophobicContact CE1-CB 3.61Å
215L89.4Confident84Confident3 Ų358.6 Ų58.62%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-102.5112.7173.9-57.2176.3000108.1H213 E228 R230 V253 V254 K261H213-L215 VanDerWaalsContact CD2-CD2 3.5Å; H213-L215 WeakPolarHBondContact CD2-CD2 3.22Å; L215-E228 HydrophobicContact CB-CG 4.28Å; L215-E228 HydrophobicContact CD2-CG 4.35Å; L215-R230 HydrophobicContact CD2-CG 3.8Å; L215-V253 WeakPolarHBondContact O-CA 3.29Å; L215-V254 HydrophobicContact CB-CB 4.34Å; L215-V254 PolarHBondContact N-O 2.99Å; L215-V254 PolarHBondContact O-N 3.49Å; L215-K261 HydrophobicContact CD1-CD 4.32Å
216V91.9Very high84.2Confident0 Ų059.6 Ų59.60%031%0.308CS..EExtended strand (participates in β ladder)trans-106.2125.6178-176.70000109.1E228 I229 L231 V238 V251 Y252 V253V216-E228 WeakPolarHBondContact O-CA 3.28Å; V216-I229 HydrophobicContact CB-CB 4.24Å; V216-I229 PolarHBondContact N-O 2.86Å; V216-I229 PolarHBondContact O-N 2.78Å; V216-L231 HydrophobicContact CG2-CD1 3.47Å; V216-L231 VanDerWaalsContact CG2-CD1 3.47Å; V216-L231 HydrophobicContact CG2-CG 4.16Å; V216-V238 HydrophobicContact CG1-CG1 4.29Å; V216-V238 HydrophobicContact CG2-CG1 4.38Å; V216-V251 HydrophobicContact CG1-CG1 3.9Å; V216-Y252 WeakPolarHBondContact CA-O 3.32Å; V216-V253 HydrophobicContact CB-CG2 4.45Å; V216-V253 HydrophobicContact CG1-CG2 4.15Å; V216-V253 HydrophobicContact CG2-CG1 4.16Å; V216-V253 HydrophobicContact CG2-CG2 3.94Å
217R89.8Confident84.3Confident102 Ų10261.6 Ų61.639%0.38533%0.325SS..EExtended strand (participates in β ladder)trans-123.4137.6171.8-66.5-175.5-68.4174.6-1.7108.5W225 E228 V251 Y252R217-W225 HydrophobicContact CB-CE3 3.91Å; R217-W225 HydrophobicContact CB-CZ3 4.06Å; R217-E228 HydrophobicContact CG-CB 3.98Å; R217-E228 HydrophobicContact CG-CG 3.87Å; R217-V251 CarbonylContact O-C 3.57Å; R217-V251 WeakPolarHBondContact O-CA 3.41Å; R217-Y252 PolarHBondContact N-O 2.91Å; R217-Y252 PolarHBondContact O-N 2.81Å
218Y89.9Confident84.8Confident35 Ų3564.7 Ų64.714%0.13734%0.338CS..EExtended strand (participates in β ladder)trans-142.6150.8178.468.4-73.8000110.4K226 I229 L240 L243 Y249 E250Y218-K226 HydrophobicContact CD1-CB 4.19Å; Y218-K226 HydrophobicContact CD2-CB 4.39Å; Y218-K226 HydrophobicContact CD2-CG 4.12Å; Y218-K226 HydrophobicContact CE1-CB 3.78Å; Y218-K226 HydrophobicContact CE1-CG 4.4Å; Y218-K226 HydrophobicContact CE2-CB 4.05Å; Y218-K226 HydrophobicContact CE2-CG 3.73Å; Y218-K226 HydrophobicContact CG-CB 4.45Å; Y218-K226 VanDerWaalsContact O-CB 3.32Å; Y218-K226 WeakPolarHBondContact O-CB 3.47Å; Y218-K226 PolarHBondContact O-N 2.78Å; Y218-I229 HydrophobicContact CD1-CD1 4.34Å; Y218-I229 HydrophobicContact CE1-CD1 3.71Å; Y218-I229 HydrophobicContact CE1-CG1 4.41Å; Y218-L240 HydrophobicContact CD1-CD1 4.37Å; Y218-L240 HydrophobicContact CD1-CD2 3.78Å; Y218-L240 HydrophobicContact CD2-CD1 4.08Å; Y218-L240 HydrophobicContact CD2-CD2 4.45Å; Y218-L240 HydrophobicContact CE1-CD2 3.81Å; Y218-L240 HydrophobicContact CE2-CD2 4.44Å; Y218-L240 HydrophobicContact CG-CD1 3.91Å; Y218-L240 HydrophobicContact CG-CD2 4.13Å; Y218-L243 HydrophobicContact CD2-CD2 4.13Å; Y218-L243 HydrophobicContact CE2-CD2 3.75Å; Y218-Y249 HydrophobicContact CD2-CD1 4.15Å; Y218-Y249 HydrophobicContact CD2-CE1 4.24Å; Y218-E250 VanDerWaalsContact CA-O 3.22Å; Y218-E250 WeakPolarHBondContact CA-O 3.38Å
219R87.4Confident85.3Confident74 Ų7464.3 Ų64.328%0.27932%0.321SS..EExtended strand (participates in β ladder)trans-151.9154.1172.868.1175.6174.9179.12.1111.1S223 E224 W225 Y249 E250R219-S223 WeakPolarHBondContact CD-O 3.47Å; R219-E224 WeakPolarHBondContact CB-O 3.49Å; R219-W225 HydrophobicContact CB-CD2 4.21Å; R219-W225 HydrophobicContact CB-CE3 3.93Å; R219-W225 HydrophobicContact CB-CZ3 4.26Å; R219-W225 VanDerWaalsContact CD-CE2 3.46Å; R219-W225 HydrophobicContact CG-CD2 4.01Å; R219-W225 HydrophobicContact CG-CE3 3.86Å; R219-W225 HydrophobicContact CG-CH2 3.92Å; R219-W225 HydrophobicContact CG-CZ2 4.15Å; R219-W225 HydrophobicContact CG-CZ3 3.81Å; R219-W225 VanDerWaalsContact CZ-CZ2 3.46Å; R219-W225 VanDerWaalsContact NH1-NE1 3.18Å; R219-Y249 CarbonylContact O-C 3.56Å; R219-Y249 VanDerWaalsContact O-CA 3.27Å; R219-Y249 WeakPolarHBondContact O-CA 3.31Å; R219-Y249 WeakPolarHBondContact O-CD1 3.3Å; R219-E250 HydrophobicContact CG-CG 3.83Å; R219-E250 IonicContact CZ-OE1 3.09Å; R219-E250 PolarHBondContact N-O 2.86Å; R219-E250 IonicContact NE-OE1 2.65Å; R219-E250 PolarHBondContact NE-OE1 3.04Å; R219-E250 IonicContact NH2-OE1 2.69Å; R219-E250 PolarHBondContact NH2-OE1 2.82Å; R219-E250 PolarHBondContact O-N 3.41Å
220A87.9Confident85.8Confident1 Ų170.7 Ų70.71%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-70.6141.4160.100000107.9S222 S223 E248 Y249A220-S222 PolarHBondContact O-N 3.36Å; A220-S223 PolarHBondContact O-N 3.01Å; A220-E248 CarbonylContact C-O 3.58Å; A220-E248 VanDerWaalsContact CA-O 3.31Å; A220-E248 WeakPolarHBondContact CA-O 3.5Å; A220-Y249 HydrophobicContact CB-CD1 4.28Å; A220-Y249 HydrophobicContact CB-CE1 3.91Å; A220-Y249 HydrophobicContact CB-CE2 4.15Å
221L83.1Confident86Confident93 Ų9367 Ų6749%0.48732%0.317SS..THydrogen-bonded Turntrans-57.7-22.7177.8-83.9135.8000113E248L221-E248 HydrophobicContact CD1-CB 3.57Å; L221-E248 HydrophobicContact CD1-CG 3.39Å; L221-E248 WeakPolarHBondContact CD1-OE2 3.27Å; L221-E248 PolarHBondContact N-O 3.05Å
222S75.1Confident86Confident107 Ų10770.2 Ų70.275%0.74834%0.34SS*.THydrogen-bonded Turntrans-90.43.5175.558.10000114.5A220A220-S222 PolarHBondContact O-N 3.36Å
223S83.4Confident85.7Confident51 Ų5165.6 Ų65.636%0.35733%0.33SS..SBendtrans-135.6167.9-170.6-66.10000113.9R219 A220R219-S223 WeakPolarHBondContact CD-O 3.47Å; A220-S223 PolarHBondContact O-N 3.01Å
224E86.2Confident85.3Confident163 Ų16366.7 Ų66.776%0.76235%0.352SS*.PPolyproline II helixtrans-68161170.8-74.9-77.7158.100112.3R219 K226R219-E224 WeakPolarHBondContact CB-O 3.49Å; E224-K226 PolarHBondContact O-N 3.16Å
225W85.6Confident85Confident94 Ų9468 Ų6836%0.35636%0.361SS..PPolyproline II helixtrans-61.7129.4175.3-70.397.3000112.1R217 R219 E250 Y252R217-W225 HydrophobicContact CB-CE3 3.91Å; R217-W225 HydrophobicContact CB-CZ3 4.06Å; R219-W225 HydrophobicContact CB-CD2 4.21Å; R219-W225 HydrophobicContact CB-CE3 3.93Å; R219-W225 HydrophobicContact CB-CZ3 4.26Å; R219-W225 VanDerWaalsContact CD-CE2 3.46Å; R219-W225 HydrophobicContact CG-CD2 4.01Å; R219-W225 HydrophobicContact CG-CE3 3.86Å; R219-W225 HydrophobicContact CG-CH2 3.92Å; R219-W225 HydrophobicContact CG-CZ2 4.15Å; R219-W225 HydrophobicContact CG-CZ3 3.81Å; R219-W225 VanDerWaalsContact CZ-CZ2 3.46Å; R219-W225 VanDerWaalsContact NH1-NE1 3.18Å; W225-E250 HydrophobicContact CH2-CG 3.97Å; W225-Y252 AromaticContact CH2-CD2 3.3Å; W225-Y252 HydrophobicContact CH2-CD2 3.3Å; W225-Y252 AromaticContact CH2-CE2 3.43Å; W225-Y252 HydrophobicContact CH2-CE2 3.43Å; W225-Y252 VanDerWaalsContact CH2-CE2 3.43Å; W225-Y252 HydrophobicContact CH2-CG 4.44Å; W225-Y252 HydrophobicContact CZ2-CD2 4.29Å; W225-Y252 HydrophobicContact CZ2-CE2 4.18Å; W225-Y252 AromaticContact CZ3-CD2 3.81Å; W225-Y252 HydrophobicContact CZ3-CD2 3.81Å; W225-Y252 HydrophobicContact CZ3-CE2 4.34Å
226K85.6Confident84.7Confident84 Ų8471.9 Ų71.937%0.36538%0.382SS..PPolyproline II helixtrans-71.1160.7170.6-61.9-70.8-174.1175.90109.9Y218 E224 E228Y218-K226 HydrophobicContact CD1-CB 4.19Å; Y218-K226 HydrophobicContact CD2-CB 4.39Å; Y218-K226 HydrophobicContact CD2-CG 4.12Å; Y218-K226 HydrophobicContact CE1-CB 3.78Å; Y218-K226 HydrophobicContact CE1-CG 4.4Å; Y218-K226 HydrophobicContact CE2-CB 4.05Å; Y218-K226 HydrophobicContact CE2-CG 3.73Å; Y218-K226 HydrophobicContact CG-CB 4.45Å; Y218-K226 VanDerWaalsContact O-CB 3.32Å; Y218-K226 WeakPolarHBondContact O-CB 3.47Å; Y218-K226 PolarHBondContact O-N 2.78Å; E224-K226 PolarHBondContact O-N 3.16Å; K226-E228 PolarHBondContact O-N 3.42Å
227P82.4Confident84.4Confident105 Ų10574.6 Ų74.668%0.68239%0.394SS*.PPolyproline II helixtrans-51.6137.6177-2735.3000112.3I229P227-I229 PolarHBondContact O-N 2.86Å
228E88Confident84.3Confident69 Ų6970 Ų7032%0.32238%0.378SS..PPolyproline II helixtrans-65.7123177.9-178.6178.681.900110.4L215 V216 R217 K226 R230L215-E228 HydrophobicContact CB-CG 4.28Å; L215-E228 HydrophobicContact CD2-CG 4.35Å; V216-E228 WeakPolarHBondContact O-CA 3.28Å; R217-E228 HydrophobicContact CG-CB 3.98Å; R217-E228 HydrophobicContact CG-CG 3.87Å; K226-E228 PolarHBondContact O-N 3.42Å; E228-R230 IonicContact OE1-CZ 3.75Å; E228-R230 IonicContact OE1-NE 3.7Å; E228-R230 IonicContact OE1-NH2 3.45Å; E228-R230 PolarHBondContact OE1-NH2 3.17Å
229I86.9Confident84.3Confident52 Ų5272 Ų7227%0.26739%0.389SS..EExtended strand (participates in β ladder)trans-90.6128.4176.9-58.9171.8000108.2V216 Y218 P227 L231 L240V216-I229 HydrophobicContact CB-CB 4.24Å; V216-I229 PolarHBondContact N-O 2.86Å; V216-I229 PolarHBondContact O-N 2.78Å; Y218-I229 HydrophobicContact CD1-CD1 4.34Å; Y218-I229 HydrophobicContact CE1-CD1 3.71Å; Y218-I229 HydrophobicContact CE1-CG1 4.41Å; P227-I229 PolarHBondContact O-N 2.86Å; I229-L231 HydrophobicContact CG2-CD2 3.89Å; I229-L231 HydrophobicContact CG2-CG 4.24Å; I229-L240 HydrophobicContact CD1-CD2 3.91Å
230R86.3Confident84.3Confident148 Ų14868.5 Ų68.556%0.55838%0.376SS*.EExtended strand (participates in β ladder)trans-101.7114174.7-60.1-171.4179.4-107.7-15109.7H213 Y214 L215 E228H213-R230 PolarHBondContact NE2-NH1 2.84Å; Y214-R230 WeakPolarHBondContact O-CA 3.47Å; L215-R230 HydrophobicContact CD2-CG 3.8Å; E228-R230 IonicContact OE1-CZ 3.75Å; E228-R230 IonicContact OE1-NE 3.7Å; E228-R230 IonicContact OE1-NH2 3.45Å; E228-R230 PolarHBondContact OE1-NH2 3.17Å
231L85.7Confident84.2Confident21 Ų2175 Ų7511%0.1140%0.404CS..EExtended strand (participates in β ladder)trans-99.3139177.9-58.4169.5000110.2L201 H213 Y214 V216 I229 V238L201-L231 HydrophobicContact CD1-CD1 4.22Å; L201-L231 HydrophobicContact CD2-CD1 4Å; H213-L231 CarbonylContact C-O 3.54Å; H213-L231 WeakPolarHBondContact CA-O 3.49Å; H213-L231 WeakPolarHBondContact CB-O 3.42Å; Y214-L231 PolarHBondContact N-O 3.05Å; Y214-L231 PolarHBondContact O-N 2.56Å; V216-L231 HydrophobicContact CG2-CD1 3.47Å; V216-L231 VanDerWaalsContact CG2-CD1 3.47Å; V216-L231 HydrophobicContact CG2-CG 4.16Å; I229-L231 HydrophobicContact CG2-CD2 3.89Å; I229-L231 HydrophobicContact CG2-CG 4.24Å; L231-V238 HydrophobicContact CD1-CB 3.68Å; L231-V238 HydrophobicContact CD1-CG1 4.46Å; L231-V238 HydrophobicContact CD1-CG2 4.01Å; L231-V238 HydrophobicContact CD2-CB 4.47Å; L231-V238 HydrophobicContact CD2-CG2 4.15Å
232P85.6Confident84.3Confident86 Ų8675.7 Ų75.756%0.55842%0.417SS*.EExtended strand (participates in β ladder)trans-55.4153.4168.8-22.532.3000112G234 S235P232-G234 PolarHBondContact O-N 2.89Å; P232-G234 VanDerWaalsContact O-N 3.15Å; P232-S235 WeakPolarHBondContact O-CB 3.42Å; P232-S235 PolarHBondContact O-N 2.95Å; P232-S235 PolarHBondContact O-OG 3.12Å
233S77.2Confident84.9Confident51 Ų5170.9 Ų70.936%0.35738%0.383SS..THydrogen-bonded Turntrans-59-26.9177.8580000114.6K203 I211 R212 S235K203-S233 WeakPolarHBondContact CE-O 3.28Å; I211-S233 WeakPolarHBondContact O-CB 3.4Å; R212-S233 WeakPolarHBondContact O-CB 3.29Å; R212-S233 PolarHBondContact O-N 2.96Å; S233-S235 VanDerWaalsContact C-N 3.27Å; S233-S235 PolarHBondContact O-N 3.15Å
234G75.8Confident84.9Confident61 Ų6172.3 Ų72.363%0.62939%0.386SS*.THydrogen-bonded Turntrans-72.4-15.917700000114.4P232P232-G234 PolarHBondContact O-N 2.89Å; P232-G234 VanDerWaalsContact O-N 3.15Å
235S81.7Confident84.9Confident27 Ų2768.1 Ų68.119%0.18936%0.363CS..  trans-63.4136.9-177.3-64.90000111.7K203 P232 S233K203-S235 PolarHBondContact NZ-O 3.15Å; P232-S235 WeakPolarHBondContact O-CB 3.42Å; P232-S235 PolarHBondContact O-N 2.95Å; P232-S235 PolarHBondContact O-OG 3.12Å; S233-S235 VanDerWaalsContact C-N 3.27Å; S233-S235 PolarHBondContact O-N 3.15Å
236D83.8Confident84.8Confident86 Ų8667.8 Ų67.846%0.4637%0.369SS..  trans-111.6-15.417852.8-0.7000112L201L201-D236 PolarHBondContact N-O 2.95Å
237H86Confident84.7Confident56 Ų5664.5 Ų64.526%0.25936%0.357SS..EExtended strand (participates in β ladder)trans-147.9163.9174.866.4-80.8000112K198 V199 N200K198-H237 VanDerWaalsContact CE-CG 3.49Å; K198-H237 HydrophobicContact CG-CB 3.97Å; V199-H237 CarbonylContact O-C 3.59Å; V199-H237 VanDerWaalsContact O-CA 3.25Å; V199-H237 WeakPolarHBondContact O-CA 3.34Å; N200-H237 WeakPolarHBondContact OD1-CB 3.3Å
238V88Confident84.9Confident7 Ų763.9 Ų63.94%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-128.4128.4167.662.50000109.6V199 L201 V216 L231 L240V199-V238 HydrophobicContact CB-CG1 3.71Å; V199-V238 HydrophobicContact CG1-CG1 4.39Å; V199-V238 HydrophobicContact CG2-CG1 4.44Å; V199-V238 PolarHBondContact N-O 3Å; V199-V238 PolarHBondContact O-N 3.42Å; L201-V238 HydrophobicContact CD1-CB 4.11Å; L201-V238 HydrophobicContact CD1-CG1 3.87Å; V216-V238 HydrophobicContact CG1-CG1 4.29Å; V216-V238 HydrophobicContact CG2-CG1 4.38Å; L231-V238 HydrophobicContact CD1-CB 3.68Å; L231-V238 HydrophobicContact CD1-CG1 4.46Å; L231-V238 HydrophobicContact CD1-CG2 4.01Å; L231-V238 HydrophobicContact CD2-CB 4.47Å; L231-V238 HydrophobicContact CD2-CG2 4.15Å; V238-L240 HydrophobicContact CG2-CD2 4.06Å
239M88.8Confident84.9Confident75 Ų7560.7 Ų60.737%0.36933%0.33SS..EExtended strand (participates in β ladder)trans-96.1107.8177-168.566.870.400109.1K198 K241K198-M239 HydrophobicContact CB-CE 3.75Å; K198-M239 HydrophobicContact CB-SD 3.97Å; K198-M239 HydrophobicContact CD-CE 4.11Å; K198-M239 HydrophobicContact CG-CE 3.93Å; M239-K241 HydrophobicContact CG-CD 4.22Å; M239-K241 HydrophobicContact CG-CG 3.75Å
240L87.7Confident85.2Confident2 Ų259 Ų591%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-90.8113.8173-56.9-180000107.9S196 I197 V199 Y218 I229 V238 L243 V251S196-L240 CarbonylContact C-O 3.56Å; S196-L240 WeakPolarHBondContact CA-O 3.34Å; S196-L240 WeakPolarHBondContact CB-O 3.34Å; I197-L240 HydrophobicContact CG2-CB 3.87Å; I197-L240 HydrophobicContact CG2-CD1 4.14Å; I197-L240 HydrophobicContact CG2-CG 4.33Å; I197-L240 PolarHBondContact N-O 3Å; I197-L240 PolarHBondContact O-N 2.85Å; V199-L240 HydrophobicContact CG2-CD1 4.32Å; Y218-L240 HydrophobicContact CD1-CD1 4.37Å; Y218-L240 HydrophobicContact CD1-CD2 3.78Å; Y218-L240 HydrophobicContact CD2-CD1 4.08Å; Y218-L240 HydrophobicContact CD2-CD2 4.45Å; Y218-L240 HydrophobicContact CE1-CD2 3.81Å; Y218-L240 HydrophobicContact CE2-CD2 4.44Å; Y218-L240 HydrophobicContact CG-CD1 3.91Å; Y218-L240 HydrophobicContact CG-CD2 4.13Å; I229-L240 HydrophobicContact CD1-CD2 3.91Å; V238-L240 HydrophobicContact CG2-CD2 4.06Å; L240-L243 HydrophobicContact CB-CD1 4.23Å; L240-L243 HydrophobicContact CB-CD2 4.26Å; L240-V251 HydrophobicContact CD1-CG2 3.89Å
241K86.3Confident85.4Confident138 Ų13852 Ų5260%0.629%0.294SS*.  trans-111.3164-176.6-59.7-172.4179.3-174.40111.4M239 L243M239-K241 HydrophobicContact CG-CD 4.22Å; M239-K241 HydrophobicContact CG-CG 3.75Å; K241-L243 VanDerWaalsContact C-N 3.27Å; K241-L243 PolarHBondContact O-N 3Å
242S83.8Confident85.7Confident107 Ų10753.8 Ų53.875%0.74830%0.3SS*.SBendtrans57.142174.5-52.70000112.5N195N195-S242 PolarHBondContact O-N 3.2Å
243L87.4Confident86Confident6 Ų649.7 Ų49.73%0.03127%0.274CS..PPolyproline II helixtrans-78153.5175.8-57.6175000110.2N195 I197 Y218 L240 K241 Y249 F269 T271N195-L243 WeakPolarHBondContact O-CB 3.48Å; N195-L243 PolarHBondContact O-N 2.73Å; I197-L243 HydrophobicContact CG2-CD1 3.93Å; Y218-L243 HydrophobicContact CD2-CD2 4.13Å; Y218-L243 HydrophobicContact CE2-CD2 3.75Å; L240-L243 HydrophobicContact CB-CD1 4.23Å; L240-L243 HydrophobicContact CB-CD2 4.26Å; K241-L243 VanDerWaalsContact C-N 3.27Å; K241-L243 PolarHBondContact O-N 3Å; L243-Y249 HydrophobicContact CB-CE2 3.95Å; L243-Y249 HydrophobicContact CD2-CD1 4.15Å; L243-Y249 HydrophobicContact CD2-CE1 3.71Å; L243-Y249 HydrophobicContact CD2-CE2 4.41Å; L243-F269 HydrophobicContact CD1-CE2 3.62Å; L243-F269 HydrophobicContact CD1-CZ 3.58Å; L243-T271 HydrophobicContact CB-CG2 3.75Å; L243-T271 HydrophobicContact CD1-CG2 3.95Å
244D84.9Confident86.6Confident81 Ų8147.9 Ų47.943%0.43326%0.26SS..PPolyproline II helixtrans-65.4138.7174.7-60.5-52.6000110A247 Y249 T271D244-A247 HydrophobicContact CB-CB 3.89Å; D244-Y249 HydrophobicContact CB-CE2 4.37Å; D244-Y249 PolarHBondContact N-OH 2.69Å; D244-Y249 PolarHBondContact OD2-OH 2.65Å; D244-T271 WeakPolarHBondContact O-CB 3.48Å; D244-T271 PolarHBondContact O-OG1 2.85Å
245W84.6Confident87.2Confident74 Ų7445 Ų4528%0.2823%0.231SC..THydrogen-bonded Turntrans-70146.7178.9-59.697000111.7D193 N195 A247 Q274 P275D193-W245 WeakPolarHBondContact O-CH2 3.36Å; D193-W245 VanDerWaalsContact O-CZ3 3.28Å; D193-W245 WeakPolarHBondContact O-CZ3 3.38Å; N195-W245 HydrophobicContact CB-CD2 3.95Å; N195-W245 HydrophobicContact CB-CE3 3.91Å; N195-W245 HydrophobicContact CB-CH2 3.77Å; N195-W245 HydrophobicContact CB-CZ2 3.77Å; N195-W245 HydrophobicContact CB-CZ3 3.81Å; W245-A247 PolarHBondContact O-N 2.94Å; W245-A247 VanDerWaalsContact O-N 3.09Å; W245-Q274 HydrophobicContact CB-CB 3.83Å; W245-Q274 HydrophobicContact CD2-CB 3.86Å; W245-Q274 HydrophobicContact CD2-CG 4.03Å; W245-Q274 HydrophobicContact CE3-CB 4.36Å; W245-Q274 HydrophobicContact CG-CB 3.62Å; W245-Q274 HydrophobicContact CG-CG 3.95Å; W245-P275 HydrophobicContact CH2-CG 3.81Å; W245-P275 HydrophobicContact CZ3-CG 4.08Å
246N83.4Confident87.4Confident88 Ų8846 Ų4647%0.47123%0.232SC..THydrogen-bonded Turntrans50.631.7178.6-166.832.3000113.9R270 T271 S272N246-R270 PolarHBondContact OD1-NE 2.86Å; N246-R270 VanDerWaalsContact OD1-NE 3.12Å; N246-R270 PolarHBondContact OD1-NH2 2.9Å; N246-T271 PolarHBondContact N-OG1 2.78Å; N246-S272 PolarHBondContact N-O 3.34Å
247A85.3Confident87.5Confident15 Ų1542 Ų4212%0.12421%0.211CC..  trans-112.4144.4-178.600000109.9D244 W245 Y249 R270 T271D244-A247 HydrophobicContact CB-CB 3.89Å; W245-A247 PolarHBondContact O-N 2.94Å; W245-A247 VanDerWaalsContact O-N 3.09Å; A247-Y249 HydrophobicContact CB-CD2 4.23Å; A247-Y249 HydrophobicContact CB-CE2 3.74Å; A247-R270 WeakPolarHBondContact O-CA 3.06Å; A247-T271 PolarHBondContact N-OG1 3.12Å; A247-T271 PolarHBondContact O-N 3.06Å; A247-T271 PolarHBondContact O-OG1 2.91Å
248E86.7Confident87.4Confident92 Ų9245.3 Ų45.343%0.4323%0.227SC..EExtended strand (participates in β ladder)trans-93.1128.9176.7-161.7169.9-115.500109.1A220 L221 V268 F269A220-E248 CarbonylContact C-O 3.58Å; A220-E248 VanDerWaalsContact CA-O 3.31Å; A220-E248 WeakPolarHBondContact CA-O 3.5Å; L221-E248 HydrophobicContact CD1-CB 3.57Å; L221-E248 HydrophobicContact CD1-CG 3.39Å; L221-E248 WeakPolarHBondContact CD1-OE2 3.27Å; L221-E248 PolarHBondContact N-O 3.05Å; E248-V268 HydrophobicContact CG-CG1 3.89Å; E248-F269 WeakPolarHBondContact CA-O 3.25Å
249Y88.1Confident87Confident2 Ų249.4 Ų49.41%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-119.3138.8-174.8-83.5-95.4000110.2Y218 R219 A220 L243 D244 A247 V268 F269 T271Y218-Y249 HydrophobicContact CD2-CD1 4.15Å; Y218-Y249 HydrophobicContact CD2-CE1 4.24Å; R219-Y249 CarbonylContact O-C 3.56Å; R219-Y249 VanDerWaalsContact O-CA 3.27Å; R219-Y249 WeakPolarHBondContact O-CA 3.31Å; R219-Y249 WeakPolarHBondContact O-CD1 3.3Å; A220-Y249 HydrophobicContact CB-CD1 4.28Å; A220-Y249 HydrophobicContact CB-CE1 3.91Å; A220-Y249 HydrophobicContact CB-CE2 4.15Å; L243-Y249 HydrophobicContact CB-CE2 3.95Å; L243-Y249 HydrophobicContact CD2-CD1 4.15Å; L243-Y249 HydrophobicContact CD2-CE1 3.71Å; L243-Y249 HydrophobicContact CD2-CE2 4.41Å; D244-Y249 HydrophobicContact CB-CE2 4.37Å; D244-Y249 PolarHBondContact N-OH 2.69Å; D244-Y249 PolarHBondContact OD2-OH 2.65Å; A247-Y249 HydrophobicContact CB-CD2 4.23Å; A247-Y249 HydrophobicContact CB-CE2 3.74Å; Y249-V268 WeakPolarHBondContact O-CA 3.28Å; Y249-F269 VanDerWaalsContact CB-CE1 3.47Å; Y249-F269 HydrophobicContact CD2-CE2 4.38Å; Y249-F269 HydrophobicContact CD2-CZ 4.37Å; Y249-F269 HydrophobicContact CG-CE1 4.43Å; Y249-F269 HydrophobicContact CG-CE2 4.33Å; Y249-F269 AromaticContact CG-CZ 3.89Å; Y249-F269 HydrophobicContact CG-CZ 3.89Å; Y249-F269 PolarHBondContact N-O 3.21Å; Y249-F269 PolarHBondContact O-N 3.31Å; Y249-T271 HydrophobicContact CD2-CG2 4.05Å; Y249-T271 HydrophobicContact CE2-CG2 4.16Å
250E91.4Very high86.8Confident16 Ų1646.7 Ų46.78%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-111.2139.7167.666.2179.2155.200110.5Y218 R219 W225 Y252 H266 F267 V268Y218-E250 VanDerWaalsContact CA-O 3.22Å; Y218-E250 WeakPolarHBondContact CA-O 3.38Å; R219-E250 HydrophobicContact CG-CG 3.83Å; R219-E250 IonicContact CZ-OE1 3.09Å; R219-E250 PolarHBondContact N-O 2.86Å; R219-E250 IonicContact NE-OE1 2.65Å; R219-E250 PolarHBondContact NE-OE1 3.04Å; R219-E250 IonicContact NH2-OE1 2.69Å; R219-E250 PolarHBondContact NH2-OE1 2.82Å; R219-E250 PolarHBondContact O-N 3.41Å; W225-E250 HydrophobicContact CH2-CG 3.97Å; E250-Y252 HydrophobicContact CB-CE2 4.39Å; E250-Y252 HydrophobicContact CG-CE2 4.08Å; E250-Y252 VanDerWaalsContact OE2-CE2 3.28Å; E250-Y252 WeakPolarHBondContact OE2-CE2 3.23Å; E250-Y252 PolarHBondContact OE2-OH 2.87Å; E250-H266 IonicContact OE2-NE2 3.55Å; E250-F267 WeakPolarHBondContact CA-O 3.2Å; E250-V268 HydrophobicContact CB-CG2 4.22Å
251V92Very high86.8Confident0 Ų051.6 Ų51.60%026%0.258CS..EExtended strand (participates in β ladder)trans-124.2131.1-178.3-171.70000108.9V216 R217 L240 V253 H266 F267 F269V216-V251 HydrophobicContact CG1-CG1 3.9Å; R217-V251 CarbonylContact O-C 3.57Å; R217-V251 WeakPolarHBondContact O-CA 3.41Å; L240-V251 HydrophobicContact CD1-CG2 3.89Å; V251-V253 HydrophobicContact CG1-CG2 4.06Å; V251-H266 WeakPolarHBondContact O-CA 3.39Å; V251-F267 PolarHBondContact N-O 3.16Å; V251-F267 PolarHBondContact O-N 3.28Å; V251-F269 HydrophobicContact CG2-CD1 4.17Å; V251-F269 HydrophobicContact CG2-CE1 3.56Å
252Y91.2Very high86.9Confident60 Ų6045.5 Ų45.524%0.23523%0.233CC..EExtended strand (participates in β ladder)trans-115.5127.4171-70.3-95.4000110V216 R217 W225 E250 A264 A265 H266V216-Y252 WeakPolarHBondContact CA-O 3.32Å; R217-Y252 PolarHBondContact N-O 2.91Å; R217-Y252 PolarHBondContact O-N 2.81Å; W225-Y252 AromaticContact CH2-CD2 3.3Å; W225-Y252 HydrophobicContact CH2-CD2 3.3Å; W225-Y252 AromaticContact CH2-CE2 3.43Å; W225-Y252 HydrophobicContact CH2-CE2 3.43Å; W225-Y252 VanDerWaalsContact CH2-CE2 3.43Å; W225-Y252 HydrophobicContact CH2-CG 4.44Å; W225-Y252 HydrophobicContact CZ2-CD2 4.29Å; W225-Y252 HydrophobicContact CZ2-CE2 4.18Å; W225-Y252 AromaticContact CZ3-CD2 3.81Å; W225-Y252 HydrophobicContact CZ3-CD2 3.81Å; W225-Y252 HydrophobicContact CZ3-CE2 4.34Å; E250-Y252 HydrophobicContact CB-CE2 4.39Å; E250-Y252 HydrophobicContact CG-CE2 4.08Å; E250-Y252 VanDerWaalsContact OE2-CE2 3.28Å; E250-Y252 WeakPolarHBondContact OE2-CE2 3.23Å; E250-Y252 PolarHBondContact OE2-OH 2.87Å; Y252-A264 HydrophobicContact CD1-CB 3.72Å; Y252-A265 WeakPolarHBondContact CA-O 3.48Å; Y252-H266 HydrophobicContact CD1-CB 4.37Å; Y252-H266 HydrophobicContact CE1-CB 4.02Å; Y252-H266 AromaticContact CE1-CD2 3.76Å; Y252-H266 AromaticContact CE2-CD2 3.63Å; Y252-H266 AromaticContact CZ-CD2 3.34Å; Y252-H266 AromaticContact CZ-NE2 3.93Å; Y252-H266 PolarHBondContact OH-CD2 2.88Å
253V92.1Very high87.1Confident0 Ų048.9 Ų48.90%023%0.234CC..EExtended strand (participates in β ladder)trans-121.2129.1174.5-175.80000109.7P184 L186 L201 Y214 L215 V216 V251 A265P184-V253 HydrophobicContact CG-CB 4.07Å; P184-V253 HydrophobicContact CG-CG1 3.69Å; L186-V253 HydrophobicContact CD1-CB 3.95Å; L186-V253 HydrophobicContact CD1-CG2 3.61Å; L186-V253 HydrophobicContact CD2-CB 3.76Å; L186-V253 HydrophobicContact CD2-CG1 4.27Å; L186-V253 HydrophobicContact CD2-CG2 3.5Å; L186-V253 HydrophobicContact CG-CB 4.36Å; L186-V253 HydrophobicContact CG-CG2 4.18Å; L201-V253 HydrophobicContact CD2-CG1 3.66Å; L201-V253 HydrophobicContact CG-CG1 4.28Å; Y214-V253 HydrophobicContact CD1-CG1 4.17Å; L215-V253 WeakPolarHBondContact O-CA 3.29Å; V216-V253 HydrophobicContact CB-CG2 4.45Å; V216-V253 HydrophobicContact CG1-CG2 4.15Å; V216-V253 HydrophobicContact CG2-CG1 4.16Å; V216-V253 HydrophobicContact CG2-CG2 3.94Å; V251-V253 HydrophobicContact CG1-CG2 4.06Å; V253-A265 HydrophobicContact CB-CB 4.46Å; V253-A265 PolarHBondContact N-O 3.09Å; V253-A265 WeakPolarHBondContact O-CB 3.39Å; V253-A265 PolarHBondContact O-N 2.86Å
254V90Very high87.1Confident12 Ų1250.9 Ų50.97%0.07325%0.252CS..EExtended strand (participates in β ladder)trans-121.4129.9178.5176.50000108.5Y214 L215 K261 A264Y214-V254 CarbonylContact C-O 3.57Å; Y214-V254 VanDerWaalsContact CA-O 3.31Å; Y214-V254 WeakPolarHBondContact CA-O 3.49Å; L215-V254 HydrophobicContact CB-CB 4.34Å; L215-V254 PolarHBondContact N-O 2.99Å; L215-V254 PolarHBondContact O-N 3.49Å; V254-K261 HydrophobicContact CG1-CB 3.75Å; V254-K261 HydrophobicContact CG1-CD 4.37Å; V254-K261 HydrophobicContact CG1-CG 4.23Å; V254-A264 HydrophobicContact CG2-CB 3.68Å
255A87.5Confident87.2Confident1 Ų147.5 Ų47.51%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-85.7137.4169.400000109.5P181 I211 Y214 K261 S262P181-A255 HydrophobicContact CB-CB 4.18Å; P181-A255 HydrophobicContact CG-CB 3.97Å; P181-A255 WeakPolarHBondContact CG-O 3.25Å; I211-A255 HydrophobicContact CD1-CB 4Å; I211-A255 HydrophobicContact CG1-CB 4.36Å; I211-A255 HydrophobicContact CG2-CB 4.16Å; Y214-A255 HydrophobicContact CD1-CB 3.84Å; Y214-A255 HydrophobicContact CE1-CB 3.61Å; A255-K261 CarbonylContact O-C 3.58Å; A255-K261 WeakPolarHBondContact O-CA 3.45Å; A255-S262 PolarHBondContact N-OG 3.3Å; A255-S262 PolarHBondContact O-N 3.44Å
256E86.9Confident87.5Confident47 Ų4748.8 Ų48.822%0.2224%0.244CC..EExtended strand (participates in β ladder)trans-121.6122.3176.3-171.6172.8148.400110.2R212 H213 K261R212-E256 PolarHBondContact N-O 2.83Å; H213-E256 VanDerWaalsContact CE1-CD 3.47Å; H213-E256 IonicContact CE1-OE1 2.65Å; H213-E256 IonicContact CE1-OE2 3.18Å; H213-E256 IonicContact NE2-OE1 2.83Å; H213-E256 IonicContact NE2-OE2 3.54Å; H213-E256 PolarHBondContact NE2-OE2 2.81Å; H213-E256 PolarHBondContact O-N 2.91Å; E256-K261 HydrophobicContact CB-CG 4.42Å; E256-K261 HydrophobicContact CG-CG 4.08Å; E256-K261 WeakPolarHBondContact OE2-CE 3.28Å; E256-K261 IonicContact OE2-NZ 3.83Å
257N86.3Confident87.7Confident4 Ų446.8 Ų46.82%0.02123%0.231CC..  trans-112-172.2171.977.33.5000110.3R179 P181 D206 Q259 G260R179-N257 PolarHBondContact O-ND2 3.06Å; P181-N257 VanDerWaalsContact CD-CG 3.49Å; P181-N257 HydrophobicContact CG-CB 4.08Å; D206-N257 PolarHBondContact O-ND2 2.95Å; N257-Q259 PolarHBondContact O-N 3.03Å; N257-Q259 WeakPolarHBondContact OD1-CA 3.4Å; N257-Q259 WeakPolarHBondContact OD1-CB 3.48Å; N257-Q259 PolarHBondContact OD1-N 3.15Å; N257-G260 PolarHBondContact N-O 3.05Å; N257-G260 PolarHBondContact OD1-N 2.98Å; N257-G260 PolarHBondContact OD1-O 2.58Å
258Q82.9Confident87.9Confident124 Ų12449.1 Ų49.158%0.57924%0.243SC*.SBendtrans-63.9-24.2179.7-178.3167.9-17.300113.9
259Q78.8Confident88Confident93 Ų9345.5 Ų45.544%0.43523%0.227SC..SBendtrans-92.5-28.6-173.9-54.8-5792.700112.4A178 N257A178-Q259 HydrophobicContact CB-CG 3.59Å; A178-Q259 WeakPolarHBondContact O-CG 3.22Å; A178-Q259 PolarHBondContact O-NE2 2.92Å; N257-Q259 PolarHBondContact O-N 3.03Å; N257-Q259 WeakPolarHBondContact OD1-CA 3.4Å; N257-Q259 WeakPolarHBondContact OD1-CB 3.48Å; N257-Q259 PolarHBondContact OD1-N 3.15Å
260G84.9Confident87.9Confident19 Ų1952 Ų5220%0.19625%0.251CS..  trans162.7-159.4175.800000113.9N257N257-G260 PolarHBondContact N-O 3.05Å; N257-G260 PolarHBondContact OD1-N 2.98Å; N257-G260 PolarHBondContact OD1-O 2.58Å
261K88.1Confident87.5Confident104 Ų10451.5 Ų51.545%0.45225%0.249SC..BIsolated β-bridgetrans-102.8139-176-67.6-174-176.3-165.60110.2L215 V254 A255 E256L215-K261 HydrophobicContact CD1-CD 4.32Å; V254-K261 HydrophobicContact CG1-CB 3.75Å; V254-K261 HydrophobicContact CG1-CD 4.37Å; V254-K261 HydrophobicContact CG1-CG 4.23Å; A255-K261 CarbonylContact O-C 3.58Å; A255-K261 WeakPolarHBondContact O-CA 3.45Å; E256-K261 HydrophobicContact CB-CG 4.42Å; E256-K261 HydrophobicContact CG-CG 4.08Å; E256-K261 WeakPolarHBondContact OE2-CE 3.28Å; E256-K261 IonicContact OE2-NZ 3.83Å
262S88.6Confident87.1Confident10 Ų1054.2 Ų54.27%0.0727%0.268CS..PPolyproline II helixtrans-65.8167.5171.773.20000111.6P181 A255P181-S262 VanDerWaalsContact O-CA 3.22Å; P181-S262 WeakPolarHBondContact O-CA 3.44Å; P181-S262 WeakPolarHBondContact O-CB 3.45Å; A255-S262 PolarHBondContact N-OG 3.3Å; A255-S262 PolarHBondContact O-N 3.44Å
263K87.8Confident86.5Confident179 Ų17954.8 Ų54.878%0.77829%0.285SS*.PPolyproline II helixtrans-56149.1157.1-67.9179.7-178.1177.20109.6A183 A265A183-K263 HydrophobicContact CB-CB 4.1Å; A183-K263 WeakPolarHBondContact CB-O 3.38Å; K263-A265 PolarHBondContact O-N 2.82Å
264A87.4Confident85.8Confident48 Ų4860.9 Ų60.940%0.39731%0.313SS..PPolyproline II helixtrans-79.1123.6179.600000110.2Y252 V254Y252-A264 HydrophobicContact CD1-CB 3.72Å; V254-A264 HydrophobicContact CG2-CB 3.68Å
265A87.4Confident84.8Confident10 Ų1064.6 Ų64.68%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-73.4135.2169.200000109.2A183 P184 L186 Y252 V253 K263A183-A265 HydrophobicContact CB-CB 4.47Å; P184-A265 HydrophobicContact CG-CB 3.92Å; P184-A265 WeakPolarHBondContact O-CB 3.01Å; L186-A265 HydrophobicContact CD1-CB 3.69Å; L186-A265 HydrophobicContact CG-CB 3.76Å; Y252-A265 WeakPolarHBondContact CA-O 3.48Å; V253-A265 HydrophobicContact CB-CB 4.46Å; V253-A265 PolarHBondContact N-O 3.09Å; V253-A265 WeakPolarHBondContact O-CB 3.39Å; V253-A265 PolarHBondContact O-N 2.86Å; K263-A265 PolarHBondContact O-N 2.82Å
266H90Very high83.4Confident100 Ų10070.8 Ų70.846%0.46338%0.375SS..EExtended strand (participates in β ladder)trans-118.9129.1-174177.1-128000110.2E250 V251 Y252 V268E250-H266 IonicContact OE2-NE2 3.55Å; V251-H266 WeakPolarHBondContact O-CA 3.39Å; Y252-H266 HydrophobicContact CD1-CB 4.37Å; Y252-H266 HydrophobicContact CE1-CB 4.02Å; Y252-H266 AromaticContact CE1-CD2 3.76Å; Y252-H266 AromaticContact CE2-CD2 3.63Å; Y252-H266 AromaticContact CZ-CD2 3.34Å; Y252-H266 AromaticContact CZ-NE2 3.93Å; Y252-H266 PolarHBondContact OH-CD2 2.88Å; H266-V268 WeakPolarHBondContact CE1-CG2 3.35Å; H266-V268 VanDerWaalsContact NE2-CG2 3.29Å; H266-V268 WeakPolarHBondContact NE2-CG2 3.46Å
267F89.1Confident81.3Confident46 Ų4672.8 Ų72.820%0.20240%0.4CS..EExtended strand (participates in β ladder)trans-138.4135.8177.5-179.5-104.8000110L186 I197 E250 V251 F269L186-F267 HydrophobicContact CB-CB 3.85Å; L186-F267 HydrophobicContact CB-CG 4.33Å; L186-F267 HydrophobicContact CD1-CB 3.82Å; I197-F267 HydrophobicContact CD1-CE1 3.84Å; E250-F267 WeakPolarHBondContact CA-O 3.2Å; V251-F267 PolarHBondContact N-O 3.16Å; V251-F267 PolarHBondContact O-N 3.28Å; F267-F269 AromaticContact CD1-CD1 3.95Å; F267-F269 HydrophobicContact CD1-CD1 3.95Å; F267-F269 HydrophobicContact CE1-CB 3.74Å; F267-F269 AromaticContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CG 4.08Å; F267-F269 HydrophobicContact CZ-CB 4.17Å
268V89.1Confident79.4Confident64 Ų6479.9 Ų79.939%0.38844%0.436SS..EExtended strand (participates in β ladder)trans-123.2135.9-179.9-175.30000108.8E248 Y249 E250 H266E248-V268 HydrophobicContact CG-CG1 3.89Å; Y249-V268 WeakPolarHBondContact O-CA 3.28Å; E250-V268 HydrophobicContact CB-CG2 4.22Å; H266-V268 WeakPolarHBondContact CE1-CG2 3.35Å; H266-V268 VanDerWaalsContact NE2-CG2 3.29Å; H266-V268 WeakPolarHBondContact NE2-CG2 3.46Å
269F87.3Confident77.3Confident17 Ų1778.7 Ų78.78%0.07544%0.439CS..EExtended strand (participates in β ladder)trans-146.1164.7176.969.2-83.2000110.8M190 I197 L243 E248 Y249 V251 F267 T271M190-F269 HydrophobicContact SD-CD2 4.05Å; I197-F269 HydrophobicContact CB-CD2 4.42Å; I197-F269 HydrophobicContact CB-CE2 4.05Å; I197-F269 HydrophobicContact CB-CZ 4.29Å; I197-F269 HydrophobicContact CD1-CB 3.86Å; I197-F269 HydrophobicContact CD1-CD1 3.73Å; I197-F269 HydrophobicContact CD1-CD2 3.51Å; I197-F269 HydrophobicContact CD1-CE1 4.13Å; I197-F269 HydrophobicContact CD1-CE2 3.94Å; I197-F269 HydrophobicContact CD1-CG 3.4Å; I197-F269 VanDerWaalsContact CD1-CG 3.4Å; I197-F269 HydrophobicContact CD1-CZ 4.24Å; I197-F269 HydrophobicContact CG2-CD2 4.35Å; I197-F269 HydrophobicContact CG2-CE1 3.89Å; I197-F269 HydrophobicContact CG2-CE2 3.65Å; I197-F269 HydrophobicContact CG2-CZ 3.4Å; L243-F269 HydrophobicContact CD1-CE2 3.62Å; L243-F269 HydrophobicContact CD1-CZ 3.58Å; E248-F269 WeakPolarHBondContact CA-O 3.25Å; Y249-F269 VanDerWaalsContact CB-CE1 3.47Å; Y249-F269 HydrophobicContact CD2-CE2 4.38Å; Y249-F269 HydrophobicContact CD2-CZ 4.37Å; Y249-F269 HydrophobicContact CG-CE1 4.43Å; Y249-F269 HydrophobicContact CG-CE2 4.33Å; Y249-F269 AromaticContact CG-CZ 3.89Å; Y249-F269 HydrophobicContact CG-CZ 3.89Å; Y249-F269 PolarHBondContact N-O 3.21Å; Y249-F269 PolarHBondContact O-N 3.31Å; V251-F269 HydrophobicContact CG2-CD1 4.17Å; V251-F269 HydrophobicContact CG2-CE1 3.56Å; F267-F269 AromaticContact CD1-CD1 3.95Å; F267-F269 HydrophobicContact CD1-CD1 3.95Å; F267-F269 HydrophobicContact CE1-CB 3.74Å; F267-F269 AromaticContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CD1 3.76Å; F267-F269 HydrophobicContact CE1-CG 4.08Å; F267-F269 HydrophobicContact CZ-CB 4.17Å; F269-T271 HydrophobicContact CE2-CG2 3.92Å
270R86.1Confident75.4Confident139 Ų13979.4 Ų79.453%0.52546%0.461SS..EExtended strand (participates in β ladder)trans-121.2132.3176.2-169.5-176.1-177.6117.41109.7N246 A247N246-R270 PolarHBondContact OD1-NE 2.86Å; N246-R270 VanDerWaalsContact OD1-NE 3.12Å; N246-R270 PolarHBondContact OD1-NH2 2.9Å; A247-R270 WeakPolarHBondContact O-CA 3.06Å
271T84.8Confident73.3Confident5 Ų584.3 Ų84.33%0.03149%0.488CS..PPolyproline II helixtrans-74.2156.2175.1550000111.5L243 D244 N246 A247 Y249 F269L243-T271 HydrophobicContact CB-CG2 3.75Å; L243-T271 HydrophobicContact CD1-CG2 3.95Å; D244-T271 WeakPolarHBondContact O-CB 3.48Å; D244-T271 PolarHBondContact O-OG1 2.85Å; N246-T271 PolarHBondContact N-OG1 2.78Å; A247-T271 PolarHBondContact N-OG1 3.12Å; A247-T271 PolarHBondContact O-N 3.06Å; A247-T271 PolarHBondContact O-OG1 2.91Å; Y249-T271 HydrophobicContact CD2-CG2 4.05Å; Y249-T271 HydrophobicContact CE2-CG2 4.16Å; F269-T271 HydrophobicContact CE2-CG2 3.92Å
272S83.6Confident71.1Confident56 Ų5688 Ų8839%0.39251%0.511SS..PPolyproline II helixtrans-65.8161.1179.2-62.50000111.8G194 N246G194-S272 WeakPolarHBondContact O-CB 3.34Å; G194-S272 PolarHBondContact O-N 2.75Å; N246-S272 PolarHBondContact N-O 3.34Å
273A77.8Confident68.6Low72 Ų7291.2 Ų91.260%0.59555%0.546SS*.PPolyproline II helixtrans-64.6146.2169.200000110.4P275A273-P275 WeakPolarHBondContact O-CD 3.31Å
274Q77Confident66Low129 Ų12986.2 Ų86.260%0.60355%0.546SS*.PPolyproline II helixtrans-60.3128177.9-171.7172.16.800110.2W245 T276W245-Q274 HydrophobicContact CB-CB 3.83Å; W245-Q274 HydrophobicContact CD2-CB 3.86Å; W245-Q274 HydrophobicContact CD2-CG 4.03Å; W245-Q274 HydrophobicContact CE3-CB 4.36Å; W245-Q274 HydrophobicContact CG-CB 3.62Å; W245-Q274 HydrophobicContact CG-CG 3.95Å; Q274-T276 PolarHBondContact O-N 3.12Å
275P68.4Low63.5Low90 Ų9091.5 Ų91.558%0.58457%0.567SS**PPolyproline II helixtrans-54.7118.3172.9-24.531.7000109W245 A273 A277W245-P275 HydrophobicContact CH2-CG 3.81Å; W245-P275 HydrophobicContact CZ3-CG 4.08Å; A273-P275 WeakPolarHBondContact O-CD 3.31Å; P275-A277 PolarHBondContact O-N 3.36Å
276T58.4Low61.4Low130 Ų13096.5 Ų96.580%0.79860%0.601SS**  trans-74.1112.5178.1-31.60000107.2Q274 I278Q274-T276 PolarHBondContact O-N 3.12Å; T276-I278 PolarHBondContact O-N 3.41Å
277A44.1Very low58.6Low89 Ų8995.8 Ų95.874%0.73661%0.613SS**  trans-65.6106.3167.900000107.5P275 P279P275-A277 PolarHBondContact O-N 3.36Å; A277-P279 VanDerWaalsContact O-CD 3.24Å; A277-P279 WeakPolarHBondContact O-CD 3.33Å
278I45.9Very low56.5Low153 Ų15399 Ų9979%0.78564%0.641SS**  trans-67.7117.2168.8-55.8175.7000105.9T276 A280T276-I278 PolarHBondContact O-N 3.41Å; I278-A280 PolarHBondContact O-N 2.88Å
279P38.7Very low53.9Low99 Ų99105.7 Ų105.764%0.64366%0.661SS**  trans-63.1126.2173-14.228.5000107.9A277 T281A277-P279 VanDerWaalsContact O-CD 3.24Å; A277-P279 WeakPolarHBondContact O-CD 3.33Å; P279-T281 PolarHBondContact O-N 2.94Å
280A39.6Very low51.8Low108 Ų108111 Ų11189%0.89370%0.695SS**  trans-69.383.8169.500000109.1I278I278-A280 PolarHBondContact O-N 2.88Å
281T39.5Very low49.4Very low123 Ų123113.5 Ų113.576%0.75571%0.71SS**  trans-89.4121.816544.40000109.1P279P279-T281 PolarHBondContact O-N 2.94Å
282L42.6Very low47.3Very low180 Ų180119.4 Ų119.494%0.94275%0.746SS**  trans-42.2135.4165.9-96.781.6000111.9
283G36.1Very low45Very low78 Ų78121.6 Ų121.680%0.80476%0.761SS**  trans127.1107.2145.800000116.5
284G33.9Very low43.6Very low75 Ų75125.5 Ų125.577%0.77377%0.771SS**  94.4110.3129.500000119.3
285N34.1Very low41.7Very low159 Ų159127.4 Ų127.485%0.8579%0.785SS**  trans65.3110146.1-74.515.8000121.6
286S42.7Very low40Very low114 Ų114131.7 Ų131.780%0.79779%0.794SS**  47107124.4-52.90000119.5
287A32.2Very low38.8Very low86 Ų86130.1 Ų130.171%0.71179%0.788SS**  trans-155.9111.1130.300000109.3
288S44.1Very low38.2Very low112 Ų112130.6 Ų130.678%0.78379%0.792SS**  trans-67.7127.6176.2-37.10000110.5
289Y34.8Very low37.6Very low206 Ų206129 Ų12981%0.80879%0.79SS**  trans-135107.9155-73.2-78.2000108.7F291Y289-F291 PolarHBondContact O-N 2.79Å
290T43.4Very low37.5Very low129 Ų129130.8 Ų130.879%0.79180%0.799SS**  trans-73.2113.717445.90000109.6
291F34.8Very low37.1Very low191 Ų191131.8 Ų131.884%0.83879%0.789SS**  trans-110.2111.1152.2-82.6-80.1000107.9Y289 S293Y289-F291 PolarHBondContact O-N 2.79Å; F291-S293 PolarHBondContact O-N 3.25Å
292V41.1Very low36.8Very low129 Ų129133.4 Ų133.478%0.78279%0.792SS**  trans-72.9110.5170.8175.70000107.1
293S35.7Very low36.3Very low102 Ų102130.4 Ų130.471%0.71378%0.776SS**  trans-140.4109.7162.1-56.90000107F291 L295F291-S293 PolarHBondContact O-N 3.25Å; S293-L295 PolarHBondContact O-N 3.02Å
294L48.3Very low36.1Very low153 Ų153133.2 Ų133.280%0.80177%0.772SS**  trans-59.4123.6174.4-81.995.6000109.8
295L36.6Very low36.3Very low170 Ų170136.8 Ų136.889%0.8978%0.783SS**  trans-132.5115.7161.2-99.1158.8000108.4S293S293-L295 PolarHBondContact O-N 3.02Å
296F34.3Very low36.4Very low180 Ų180135.7 Ų135.779%0.78978%0.78SS**  trans-70130.1168.6-106.3-91.7000109.3
297S32.1Very low36Very low96 Ų96136.8 Ų136.867%0.67178%0.779SS**  trans57.7101.9144.633.80000120.5
298A32.3Very low36.2Very low99 Ų99139.7 Ų139.782%0.81878%0.783SS**  -136.295.1119.900000107.5T300A298-T300 PolarHBondContact O-N 3.35Å
299V33.8Very low35.8Very low121 Ų121141.3 Ų141.373%0.73378%0.783SS**  trans-87.987.7173.6178.70000107.5L301V299-L301 HydrophobicContact CG1-CB 3.88Å; V299-L301 HydrophobicContact CG1-CD1 4.48Å
300T35.7Very low35.9Very low135 Ų135137.3 Ų137.383%0.82878%0.781SS**  trans-85.398.4147.142.10000106.6A298 L302A298-T300 PolarHBondContact O-N 3.35Å; T300-L302 PolarHBondContact O-N 3.44Å; T300-L302 VanDerWaalsContact O-N 3.16Å
301L31.9Very low35.3Very low130 Ų130137.8 Ų137.868%0.68178%0.781SS**  trans-83.688.9175.1-160.371.8000108.7V299 L303V299-L301 HydrophobicContact CG1-CB 3.88Å; V299-L301 HydrophobicContact CG1-CD1 4.48Å; L301-L303 HydrophobicContact CD1-CD1 3.91Å; L301-L303 HydrophobicContact CD1-CG 4.5Å; L301-L303 HydrophobicContact CD2-CD1 3.75Å; L301-L303 HydrophobicContact CG-CD1 3.75Å; L301-L303 HydrophobicContact CG-CG 4.32Å; L301-L303 PolarHBondContact O-N 2.83Å
302L32.4Very low35.4Very low156 Ų156134 Ų13482%0.81778%0.777SS**  trans-85.198.2162.4-148.589.8000106.6T300 L304T300-L302 PolarHBondContact O-N 3.44Å; T300-L302 VanDerWaalsContact O-N 3.16Å; L302-L304 HydrophobicContact CD2-CD1 4.35Å
303L31.5Very low35Very low118 Ų118134.4 Ų134.462%0.61878%0.776SS**  trans-107.2104171.3-101.4156.9000108.6L301L301-L303 HydrophobicContact CD1-CD1 3.91Å; L301-L303 HydrophobicContact CD1-CG 4.5Å; L301-L303 HydrophobicContact CD2-CD1 3.75Å; L301-L303 HydrophobicContact CG-CD1 3.75Å; L301-L303 HydrophobicContact CG-CG 4.32Å; L301-L303 PolarHBondContact O-N 2.83Å
304L31.7Very low34.9Very low136 Ų136137.1 Ų137.171%0.71278%0.782SS**  trans-67121.3154.7-7896000107.6L302L302-L304 HydrophobicContact CD2-CD1 4.35Å
305C38.2Very low33.7Very low151 Ų151135.6 Ų135.6100%1.0278%0.78SS**  trans-105.80153.3-69.70000109.2S5S5-C305 VanDerWaalsContact CA-O 3.25Å; S5-C305 WeakPolarHBondContact CA-O 3.42Å; S5-C305 WeakPolarHBondContact CB-O 3.24Å

Retrieved 305 of 305 residues in 140.1 ms (Link to these results)