A0A096N2H1_PAPAN Loading...

Glutathione peroxidase

AlphaFold DB (A0A2K5LJ97), UniProt , Accession A0A096N2H1, Species PAPAN (Papio anubis, Olive baboon), Gene GPX7, Length 184 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
1M41.7Very low50.6Low236 Ų236149.3 Ų149.3100%1.16383%0.828SS**  0118.20-48-172.9-45.100105.6
2V42Very low51Low142 Ų142144.3 Ų144.386%0.86182%0.821SS**  cis-148144.321.2175.40000107.4
3A46.4Very low51.5Low91 Ų91139.5 Ų139.575%0.75281%0.81SS**  trans-72.2156.1174.100000112.3
4A47.1Very low51.7Low99 Ų99136.4 Ų136.482%0.81881%0.809SS**  173.1118.312200000110.5
5A55.8Low51.6Low82 Ų82135.5 Ų135.568%0.67881%0.81SS**  trans-63138.1163.600000110.1
6A49.9Very low52Low97 Ų97132.8 Ų132.880%0.80281%0.807SS**  trans-111.493.6162.100000107.8L8A6-L8 PolarHBondContact O-N 3.43Å
7W54.9Low52.4Low205 Ų205136.3 Ų136.378%0.77781%0.813SS**  trans-61.1108.8167.6-76.239.7000108.9L9W7-L9 VanDerWaalsContact C-N 3.32Å; W7-L9 HydrophobicContact CE3-CD1 3.48Å; W7-L9 VanDerWaalsContact CE3-CD1 3.48Å; W7-L9 HydrophobicContact CE3-CG 3.83Å; W7-L9 HydrophobicContact CZ3-CD1 3.69Å; W7-L9 HydrophobicContact CZ3-CG 4.36Å; W7-L9 PolarHBondContact O-N 3.22Å
8L50.6Low53.4Low162 Ų162136.1 Ų136.185%0.84880%0.795SS**  trans-93.275157.8-80.1165000107.8A6 L10A6-L8 PolarHBondContact O-N 3.43Å; L8-L10 VanDerWaalsContact C-N 3.28Å; L8-L10 PolarHBondContact O-N 2.94Å
9L54.9Low55.2Low127 Ų127137.5 Ų137.567%0.66579%0.794SS**  trans-70.394156.7-77177.8000107.1W7 W11W7-L9 VanDerWaalsContact C-N 3.32Å; W7-L9 HydrophobicContact CE3-CD1 3.48Å; W7-L9 VanDerWaalsContact CE3-CD1 3.48Å; W7-L9 HydrophobicContact CE3-CG 3.83Å; W7-L9 HydrophobicContact CZ3-CD1 3.69Å; W7-L9 HydrophobicContact CZ3-CG 4.36Å; W7-L9 PolarHBondContact O-N 3.22Å; L9-W11 PolarHBondContact O-N 3.07Å
10L53.7Low57.1Low160 Ų160136.4 Ų136.484%0.83878%0.781SS**  trans-65.192.2158.8-81.5160.6000107.4L8 A12L8-L10 VanDerWaalsContact C-N 3.28Å; L8-L10 PolarHBondContact O-N 2.94Å; L10-A12 PolarHBondContact O-N 2.91Å
11W59.7Low59Low241 Ų241130.3 Ų130.391%0.91375%0.746SS**  trans-72.278.3163.8-130.240.4000107.4L9 A13L9-W11 PolarHBondContact O-N 3.07Å; W11-A13 PolarHBondContact O-N 2.95Å
12A55.5Low61.7Low90 Ų90119.1 Ų119.174%0.74469%0.691SS**  trans-70.388.4161.500000106.4L10 A14L10-A12 PolarHBondContact O-N 2.91Å; A12-A14 VanDerWaalsContact C-N 3.26Å; A12-A14 PolarHBondContact O-N 2.85Å
13A56.9Low64.4Low82 Ų82112.3 Ų112.368%0.67865%0.65SS**  trans-58.2101.1159.400000106.2W11 C15W11-A13 PolarHBondContact O-N 2.95Å; A13-C15 VanDerWaalsContact C-N 3.26Å; A13-C15 PolarHBondContact O-N 2.89Å
14A54.6Low66.9Low95 Ų95110.8 Ų110.879%0.78563%0.629SS**  trans-61.198165.500000106.1A12 A16A12-A14 VanDerWaalsContact C-N 3.26Å; A12-A14 PolarHBondContact O-N 2.85Å; A14-A16 PolarHBondContact O-N 2.85Å
15C51.1Low69.3Low123 Ų123107.2 Ų107.283%0.83160%0.595SS**  trans-58.694.3156.6-94.30000105.3A13 Q17A13-C15 VanDerWaalsContact C-N 3.26Å; A13-C15 PolarHBondContact O-N 2.89Å; C15-Q17 VanDerWaalsContact C-N 3.33Å; C15-Q17 PolarHBondContact O-N 2.81Å
16A56.6Low71.3Confident93 Ų93109.3 Ų109.377%0.76959%0.589SS**  trans-57.3104.2170.900000106.4A14 R18A14-A16 PolarHBondContact O-N 2.85Å; A16-R18 PolarHBondContact O-N 3.2Å
17Q59.6Low73.7Confident192 Ų192104.8 Ų104.890%0.89755%0.551SS**  trans-68.8104.4176.5-146173.9-24.900105.5C15 E19C15-Q17 VanDerWaalsContact C-N 3.33Å; C15-Q17 PolarHBondContact O-N 2.81Å; Q17-E19 PolarHBondContact O-N 3Å
18R70.4Confident75.8Confident133 Ų13397.8 Ų97.850%0.50253%0.531SS..PPolyproline II helixtrans-61.3122.6-179.7-175.2174.4150.4-109.5-45.6107.9A16 Q20 D21 D24 R41A16-R18 PolarHBondContact O-N 3.2Å; R18-Q20 PolarHBondContact O-N 2.85Å; R18-D21 IonicContact CZ-OD2 3.94Å; R18-D21 IonicContact NE-OD2 2.82Å; R18-D21 IonicContact NH2-OD1 2.85Å; R18-D21 PolarHBondContact NH2-OD1 3.47Å; R18-D21 IonicContact NH2-OD2 3.31Å; R18-D21 PolarHBondContact NH2-OD2 3.14Å; R18-D24 IonicContact CZ-OD1 2.83Å; R18-D24 IonicContact NH1-OD1 2.88Å; R18-D24 PolarHBondContact NH1-OD1 3.35Å; R18-D24 VanDerWaalsContact NH2-CG 3.34Å; R18-D24 IonicContact NH2-OD1 2.71Å; R18-D24 PolarHBondContact NH2-OD1 2.83Å; R18-D24 IonicContact NH2-OD2 3.52Å; R18-D24 PolarHBondContact NH2-OD2 3.31Å; R18-D24 VanDerWaalsContact NH2-OD2 3.13Å; R18-R41 VanDerWaalsContact CZ-CZ 3.48Å
19E86.6Confident78Confident163 Ų16391.9 Ų91.976%0.76250%0.5SS*.PPolyproline II helixtrans-57.7134.9176.4-169.8173.2-165.400109.4Q17Q17-E19 PolarHBondContact O-N 3Å
20Q93.3Very high80.1Confident114 Ų11486.3 Ų86.353%0.53347%0.471SS..PPolyproline II helixtrans-63.4135.9-177.1-176.7176.936.400110.5R18 D24 F25 Y128R18-Q20 PolarHBondContact O-N 2.85Å; Q20-D24 WeakPolarHBondContact CA-OD2 3.33Å; Q20-D24 HydrophobicContact CG-CB 4.25Å; Q20-F25 HydrophobicContact CG-CZ 4.45Å; Q20-Y128 WeakPolarHBondContact O-CE2 3.4Å
21D97.6Very high82.3Confident10 Ų1087.2 Ų87.25%0.05346%0.463CS..  trans-130.8179176.570.349.4000113.8R18 Y23 D24 F25 R41 Y128R18-D21 IonicContact CZ-OD2 3.94Å; R18-D21 IonicContact NE-OD2 2.82Å; R18-D21 IonicContact NH2-OD1 2.85Å; R18-D21 PolarHBondContact NH2-OD1 3.47Å; R18-D21 IonicContact NH2-OD2 3.31Å; R18-D21 PolarHBondContact NH2-OD2 3.14Å; D21-Y23 PolarHBondContact O-N 3.32Å; D21-Y23 PolarHBondContact OD1-N 3.47Å; D21-D24 PolarHBondContact N-OD2 2.94Å; D21-D24 PolarHBondContact O-N 3.13Å; D21-D24 VanDerWaalsContact O-N 3.17Å; D21-F25 WeakPolarHBondContact O-CE2 3.19Å; D21-R41 IonicContact OD1-CZ 3.32Å; D21-R41 IonicContact OD1-NH1 3.13Å; D21-R41 PolarHBondContact OD1-NH1 3.04Å; D21-R41 IonicContact OD1-NH2 3.47Å; D21-R41 PolarHBondContact OD1-NH2 2.84Å; D21-R41 IonicContact OD2-CZ 3.53Å; D21-R41 IonicContact OD2-NH1 3.78Å; D21-R41 PolarHBondContact OD2-NH1 3.08Å; D21-R41 IonicContact OD2-NH2 2.6Å; D21-R41 PolarHBondContact OD2-NH2 2.91Å; D21-Y128 WeakPolarHBondContact CA-OH 3.34Å
22F98.5Very high84.1Confident0 Ų078.3 Ų78.30%045%0.447CS..G310 helixtrans-58.2-32.6-175.5177.1-101.2000113.5D24 F25 L37 V47 L79 A125 Y128 L129 V146 G150F22-D24 VanDerWaalsContact C-N 3.31Å; F22-D24 PolarHBondContact O-N 3.46Å; F22-F25 WeakPolarHBondContact O-CD2 3.23Å; F22-L37 HydrophobicContact CD1-CD1 4.46Å; F22-L37 HydrophobicContact CE1-CD1 3.83Å; F22-L37 HydrophobicContact CE2-CD1 4.07Å; F22-L37 HydrophobicContact CZ-CD1 3.6Å; F22-V47 HydrophobicContact CD1-CG2 4.48Å; F22-V47 HydrophobicContact CE1-CG2 3.67Å; F22-V47 HydrophobicContact CE2-CG1 4.37Å; F22-V47 HydrophobicContact CE2-CG2 3.95Å; F22-V47 HydrophobicContact CZ-CB 4.37Å; F22-V47 HydrophobicContact CZ-CG1 4.12Å; F22-V47 HydrophobicContact CZ-CG2 3.34Å; F22-L79 HydrophobicContact CE1-CD1 3.82Å; F22-L79 HydrophobicContact CZ-CD1 4.24Å; F22-A125 HydrophobicContact CD2-CB 4.46Å; F22-A125 HydrophobicContact CE2-CB 4.03Å; F22-Y128 HydrophobicContact CB-CD1 4.11Å; F22-Y128 HydrophobicContact CB-CE1 3.85Å; F22-L129 HydrophobicContact CD2-CD1 4.25Å; F22-L129 HydrophobicContact CD2-CD2 3.65Å; F22-L129 HydrophobicContact CD2-CG 3.91Å; F22-L129 HydrophobicContact CE2-CD1 3.84Å; F22-L129 HydrophobicContact CE2-CD2 4.05Å; F22-L129 HydrophobicContact CE2-CG 4.02Å; F22-L129 HydrophobicContact CG-CD2 4.36Å; F22-V146 HydrophobicContact CB-CG1 3.95Å; F22-V146 HydrophobicContact CB-CG2 4.4Å; F22-V146 HydrophobicContact CD1-CB 4.37Å; F22-V146 HydrophobicContact CD1-CG1 3.9Å; F22-V146 HydrophobicContact CD1-CG2 4Å; F22-V146 HydrophobicContact CE1-CG2 4.46Å; F22-V146 HydrophobicContact CG-CG1 4.18Å; F22-V146 HydrophobicContact CG-CG2 4.05Å; F22-G150 WeakPolarHBondContact CB-O 3.29Å; F22-G150 PolarHBondContact N-O 2.82Å
23Y98.5Very high86.1Confident0 Ų081 Ų810%044%0.442CS..G310 helixtrans-82.4-10.3-175.4-66.8-40.4000112.7D21 F25 L37 E38 R41 S43 S45 V146 A147D21-Y23 PolarHBondContact O-N 3.32Å; D21-Y23 PolarHBondContact OD1-N 3.47Å; Y23-F25 PolarHBondContact O-N 3.44Å; Y23-L37 HydrophobicContact CD1-CB 4.4Å; Y23-L37 WeakPolarHBondContact CD1-O 3.4Å; Y23-L37 CarbonylContact O-C 3.54Å; Y23-E38 WeakPolarHBondContact O-CA 3.46Å; Y23-E38 PolarHBondContact O-N 3.21Å; Y23-R41 HydrophobicContact CD2-CB 3.84Å; Y23-R41 HydrophobicContact CD2-CG 4.09Å; Y23-R41 HydrophobicContact CE2-CB 4.42Å; Y23-R41 HydrophobicContact CG-CB 4.27Å; Y23-S43 PolarHBondContact OH-O 3.16Å; Y23-S45 WeakPolarHBondContact OH-CB 3.29Å; Y23-S45 PolarHBondContact OH-OG 3.21Å; Y23-V146 HydrophobicContact CE1-CG1 4.22Å; Y23-V146 HydrophobicContact CE2-CG1 4.15Å; Y23-A147 WeakPolarHBondContact CE2-O 3.29Å; Y23-A147 PolarHBondContact OH-O 2.6Å
24D98.3Very high88.1Confident59 Ų5982.1 Ų82.132%0.31644%0.436SS..G310 helixtrans-75.3-12.8174-59-39.5000113R18 Q20 D21 F22 R41R18-D24 IonicContact CZ-OD1 2.83Å; R18-D24 IonicContact NH1-OD1 2.88Å; R18-D24 PolarHBondContact NH1-OD1 3.35Å; R18-D24 VanDerWaalsContact NH2-CG 3.34Å; R18-D24 IonicContact NH2-OD1 2.71Å; R18-D24 PolarHBondContact NH2-OD1 2.83Å; R18-D24 IonicContact NH2-OD2 3.52Å; R18-D24 PolarHBondContact NH2-OD2 3.31Å; R18-D24 VanDerWaalsContact NH2-OD2 3.13Å; Q20-D24 WeakPolarHBondContact CA-OD2 3.33Å; Q20-D24 HydrophobicContact CG-CB 4.25Å; D21-D24 PolarHBondContact N-OD2 2.94Å; D21-D24 PolarHBondContact O-N 3.13Å; D21-D24 VanDerWaalsContact O-N 3.17Å; F22-D24 VanDerWaalsContact C-N 3.31Å; F22-D24 PolarHBondContact O-N 3.46Å; D24-R41 IonicContact OD1-NH2 3.27Å; D24-R41 PolarHBondContact OD1-NH2 3.47Å
25F98.6Very high90.2Very high24 Ų2478.8 Ų78.811%0.10541%0.406CS..  trans-78.7160.8177.7-62.6-76.4000112.7Q20 D21 F22 Y23 L37 P124 A125 Y128Q20-F25 HydrophobicContact CG-CZ 4.45Å; D21-F25 WeakPolarHBondContact O-CE2 3.19Å; F22-F25 WeakPolarHBondContact O-CD2 3.23Å; Y23-F25 PolarHBondContact O-N 3.44Å; F25-L37 HydrophobicContact CB-CD1 4.08Å; F25-L37 VanDerWaalsContact O-CB 3.31Å; F25-L37 WeakPolarHBondContact O-CB 3.39Å; F25-L37 WeakPolarHBondContact O-CG 3.31Å; F25-L37 PolarHBondContact O-N 3.02Å; F25-P124 HydrophobicContact CD1-CB 3.86Å; F25-P124 HydrophobicContact CE1-CB 3.76Å; F25-A125 HydrophobicContact CB-CB 3.93Å; F25-A125 HydrophobicContact CD2-CB 4.04Å; F25-A125 HydrophobicContact CG-CB 3.91Å; F25-Y128 VanDerWaalsContact CE2-CB 3.49Å; F25-Y128 HydrophobicContact CE2-CD1 4.08Å; F25-Y128 HydrophobicContact CE2-CD2 4.04Å; F25-Y128 AromaticContact CE2-CG 3.59Å; F25-Y128 HydrophobicContact CE2-CG 3.59Å; F25-Y128 HydrophobicContact CZ-CD2 4.23Å; F25-Y128 HydrophobicContact CZ-CG 4.02Å
26K98.7Very high92.5Very high125 Ų12575.3 Ų75.354%0.54338%0.383SS..EExtended strand (participates in β ladder)trans-115.3151.2169.5-58-177.1-179.7175.30109.1L34 V35 H123K26-L34 HydrophobicContact CB-CD1 3.87Å; K26-L34 HydrophobicContact CB-CG 4.3Å; K26-L34 HydrophobicContact CD-CD2 4.15Å; K26-L34 HydrophobicContact CD-CG 4.44Å; K26-V35 CarbonylContact C-O 3.6Å; K26-V35 VanDerWaalsContact CA-O 3.29Å; K26-V35 WeakPolarHBondContact CA-O 3.5Å; K26-H123 PolarHBondContact O-CE1 2.87Å; K26-H123 PolarHBondContact O-NE2 2.98Å
27A98.6Very high94.5Very high2 Ų270.9 Ų70.92%0.01735%0.346CS..EExtended strand (participates in β ladder)trans-142.1150.1174.500000110V35 L37 F81 F112A27-V35 PolarHBondContact N-O 3.19Å; A27-V35 WeakPolarHBondContact O-CG2 3.48Å; A27-V35 PolarHBondContact O-N 3.37Å; A27-L37 HydrophobicContact CB-CD2 4.31Å; A27-F81 HydrophobicContact CB-CE1 3.86Å; A27-F81 HydrophobicContact CB-CZ 4.37Å; A27-F112 HydrophobicContact CB-CD1 3.5Å; A27-F112 HydrophobicContact CB-CE1 3.75Å; A27-F112 HydrophobicContact CB-CG 4.39Å
28V98.8Very high96.3Very high58 Ų5865.3 Ų65.335%0.35232%0.32SS..EExtended strand (participates in β ladder)trans-79.3124.3172.7-174.30000107.6G32 L34 F112 S113V28-G32 VanDerWaalsContact CG1-CA 3.47Å; V28-L34 HydrophobicContact CG2-CD1 4.08Å; V28-F112 WeakPolarHBondContact O-CB 3.35Å; V28-S113 WeakPolarHBondContact CG1-OG 3.37Å; V28-S113 PolarHBondContact O-N 3.39Å
29N98.7Very high97.6Very high39 Ų3965.5 Ų65.521%0.20932%0.324CS..BIsolated β-bridgetrans-68171.117675.68.4000110.9R31 G32 K33 V35 S113N29-R31 PolarHBondContact O-N 3.02Å; N29-R31 WeakPolarHBondContact OD1-CA 3.33Å; N29-R31 PolarHBondContact OD1-N 2.95Å; N29-G32 PolarHBondContact O-N 3.45Å; N29-G32 PolarHBondContact OD1-N 3.03Å; N29-G32 VanDerWaalsContact OD1-N 3.16Å; N29-K33 PolarHBondContact N-O 3.12Å; N29-K33 PolarHBondContact OD1-N 3.43Å; N29-K33 PolarHBondContact OD1-O 2.9Å; N29-V35 HydrophobicContact CB-CG1 4.31Å; N29-V35 HydrophobicContact CB-CG2 4.28Å; N29-S113 PolarHBondContact O-N 2.91Å; N29-S113 PolarHBondContact O-OG 3.38Å
30I98.7Very high98.1Very high10 Ų1058.2 Ų58.25%0.05129%0.29CS..THydrogen-bonded Turntrans-63.9-13.8-176.4-158.7154.8000113.8P82 N94 I97 E98 M111I30-P82 HydrophobicContact CD1-CG 4.4Å; I30-N94 HydrophobicContact CG1-CB 3.93Å; I30-N94 VanDerWaalsContact CG1-O 3.3Å; I30-N94 WeakPolarHBondContact CG1-O 3.45Å; I30-N94 WeakPolarHBondContact O-CB 3.46Å; I30-I97 HydrophobicContact CD1-CB 4.32Å; I30-I97 HydrophobicContact CD1-CG2 4.05Å; I30-E98 HydrophobicContact CD1-CB 3.73Å; I30-E98 HydrophobicContact CG1-CB 3.99Å; I30-E98 HydrophobicContact CG2-CB 4.09Å; I30-E98 HydrophobicContact CG2-CG 3.99Å; I30-M111 HydrophobicContact CB-CB 3.95Å; I30-M111 WeakPolarHBondContact CB-O 3.48Å; I30-M111 HydrophobicContact CD1-CB 3.7Å; I30-M111 HydrophobicContact CD1-CE 3.86Å; I30-M111 HydrophobicContact CD1-SD 4.09Å; I30-M111 HydrophobicContact CG1-CB 4.45Å; I30-M111 HydrophobicContact CG2-CB 3.99Å; I30-M111 PolarHBondContact N-O 3.41Å
31R98.3Very high98.4Very high178 Ų17855.7 Ų55.767%0.67228%0.276SS*.THydrogen-bonded Turntrans-99.513177.2-59.2-175.4-175.4173.62.9113.7N29 E98N29-R31 PolarHBondContact O-N 3.02Å; N29-R31 WeakPolarHBondContact OD1-CA 3.33Å; N29-R31 PolarHBondContact OD1-N 2.95Å; R31-E98 WeakPolarHBondContact CG-OE2 3.39Å; R31-E98 IonicContact CZ-OE1 3.26Å; R31-E98 IonicContact NE-OE1 3.55Å; R31-E98 PolarHBondContact NE-OE1 2.82Å; R31-E98 VanDerWaalsContact NE-OE1 3.11Å; R31-E98 IonicContact NE-OE2 2.8Å; R31-E98 PolarHBondContact NE-OE2 2.8Å; R31-E98 IonicContact NH2-OE1 2.82Å; R31-E98 PolarHBondContact NH2-OE1 2.9Å
32G98.3Very high98.3Very high55 Ų5556.4 Ų56.457%0.56729%0.285SS*.SBendtrans83.46.2174.800000115.5V28 N29V28-G32 VanDerWaalsContact CG1-CA 3.47Å; N29-G32 PolarHBondContact O-N 3.45Å; N29-G32 PolarHBondContact OD1-N 3.03Å; N29-G32 VanDerWaalsContact OD1-N 3.16Å
33K98.6Very high98.3Very high146 Ų14656.7 Ų56.764%0.63529%0.288SS*.  trans-92.6127.6177.3-179.2176-179.9176.80110.9N29 V35N29-K33 PolarHBondContact N-O 3.12Å; N29-K33 PolarHBondContact OD1-N 3.43Å; N29-K33 PolarHBondContact OD1-O 2.9Å; K33-V35 HydrophobicContact CG-CG1 4.42Å; K33-V35 PolarHBondContact O-N 3.11Å
34L98.6Very high98.3Very high105 Ų10556.7 Ų56.755%0.5529%0.288SS..EExtended strand (participates in β ladder)trans-64.4124.4169.6-171.367.4000110.2K26 V28K26-L34 HydrophobicContact CB-CD1 3.87Å; K26-L34 HydrophobicContact CB-CG 4.3Å; K26-L34 HydrophobicContact CD-CD2 4.15Å; K26-L34 HydrophobicContact CD-CG 4.44Å; V28-L34 HydrophobicContact CG2-CD1 4.08Å
35V98.2Very high98.3Very high26 Ų2653.9 Ų53.916%0.15827%0.273CS..EExtended strand (participates in β ladder)trans-124.6141.8177.7-62.40000110.4K26 A27 N29 K33 F112K26-V35 CarbonylContact C-O 3.6Å; K26-V35 VanDerWaalsContact CA-O 3.29Å; K26-V35 WeakPolarHBondContact CA-O 3.5Å; A27-V35 PolarHBondContact N-O 3.19Å; A27-V35 WeakPolarHBondContact O-CG2 3.48Å; A27-V35 PolarHBondContact O-N 3.37Å; N29-V35 HydrophobicContact CB-CG1 4.31Å; N29-V35 HydrophobicContact CB-CG2 4.28Å; K33-V35 HydrophobicContact CG-CG1 4.42Å; K33-V35 PolarHBondContact O-N 3.11Å; V35-F112 HydrophobicContact CG2-CD1 4.3Å; V35-F112 HydrophobicContact CG2-CE1 3.62Å
36S98.5Very high98.3Very high50 Ų5052.8 Ų52.835%0.3527%0.268SS..EExtended strand (participates in β ladder)trans-75.5136.2169.2-1660000109.6E38 K39S36-E38 PolarHBondContact O-N 3.16Å; S36-E38 WeakPolarHBondContact OG-CB 3.45Å; S36-E38 PolarHBondContact OG-N 3.39Å; S36-K39 VanDerWaalsContact O-CG 3.29Å; S36-K39 WeakPolarHBondContact O-CG 3.41Å
37L98.6Very high98.3Very high0 Ų046.8 Ų46.80%024%0.242CC..G310 helixtrans-74.6-14.4172.6-61.3-174.9000112.1F22 Y23 F25 A27 K39 Y40 F112 A125F22-L37 HydrophobicContact CD1-CD1 4.46Å; F22-L37 HydrophobicContact CE1-CD1 3.83Å; F22-L37 HydrophobicContact CE2-CD1 4.07Å; F22-L37 HydrophobicContact CZ-CD1 3.6Å; Y23-L37 HydrophobicContact CD1-CB 4.4Å; Y23-L37 WeakPolarHBondContact CD1-O 3.4Å; Y23-L37 CarbonylContact O-C 3.54Å; F25-L37 HydrophobicContact CB-CD1 4.08Å; F25-L37 VanDerWaalsContact O-CB 3.31Å; F25-L37 WeakPolarHBondContact O-CB 3.39Å; F25-L37 WeakPolarHBondContact O-CG 3.31Å; F25-L37 PolarHBondContact O-N 3.02Å; A27-L37 HydrophobicContact CB-CD2 4.31Å; L37-K39 PolarHBondContact O-N 2.91Å; L37-Y40 HydrophobicContact CB-CD2 4.42Å; L37-Y40 HydrophobicContact CD2-CD2 4.14Å; L37-Y40 HydrophobicContact CD2-CE2 3.92Å; L37-Y40 WeakPolarHBondContact O-CB 3.45Å; L37-Y40 WeakPolarHBondContact O-CD2 3.47Å; L37-Y40 PolarHBondContact O-N 2.82Å; L37-F112 HydrophobicContact CD2-CE1 3.71Å; L37-F112 HydrophobicContact CD2-CZ 3.6Å; L37-A125 HydrophobicContact CD1-CB 4.4Å
38E98.3Very high98.3Very high75 Ų7546.7 Ų46.735%0.3524%0.241SC..G310 helixtrans-51.5-29.4173.6-174.759.4-16200113Y23 S36 Y40 R41Y23-E38 WeakPolarHBondContact O-CA 3.46Å; Y23-E38 PolarHBondContact O-N 3.21Å; S36-E38 PolarHBondContact O-N 3.16Å; S36-E38 WeakPolarHBondContact OG-CB 3.45Å; S36-E38 PolarHBondContact OG-N 3.39Å; E38-Y40 PolarHBondContact O-N 3.34Å; E38-R41 VanDerWaalsContact O-CB 3.23Å; E38-R41 WeakPolarHBondContact O-CB 3.41Å; E38-R41 PolarHBondContact O-N 3.43Å; E38-R41 WeakPolarHBondContact OE1-CD 3.42Å; E38-R41 IonicContact OE1-CZ 3.11Å; E38-R41 IonicContact OE1-NE 2.81Å; E38-R41 PolarHBondContact OE1-NE 3.49Å; E38-R41 IonicContact OE2-CZ 3.21Å; E38-R41 VanDerWaalsContact OE2-CZ 3.26Å; E38-R41 IonicContact OE2-NE 3.39Å; E38-R41 PolarHBondContact OE2-NE 3.17Å; E38-R41 IonicContact OE2-NH2 3.73Å; E38-R41 PolarHBondContact OE2-NH2 3.2Å
39K97.4Very high98.3Very high136 Ų13644 Ų4459%0.59122%0.224SC*.G310 helixtrans-58.9-18175.371.1173.9-79.6-155.30114.2S36 L37S36-K39 VanDerWaalsContact O-CG 3.29Å; S36-K39 WeakPolarHBondContact O-CG 3.41Å; L37-K39 PolarHBondContact O-N 2.91Å
40Y98Very high98.4Very high10 Ų1042.1 Ų42.14%0.03921%0.214CC..G310 helixtrans-99.2-5.4179.1-54-67.2000112.3L37 E38 S43 N77 L79 P110 F112L37-Y40 HydrophobicContact CB-CD2 4.42Å; L37-Y40 HydrophobicContact CD2-CD2 4.14Å; L37-Y40 HydrophobicContact CD2-CE2 3.92Å; L37-Y40 WeakPolarHBondContact O-CB 3.45Å; L37-Y40 WeakPolarHBondContact O-CD2 3.47Å; L37-Y40 PolarHBondContact O-N 2.82Å; E38-Y40 PolarHBondContact O-N 3.34Å; Y40-S43 PolarHBondContact O-N 3.42Å; Y40-S43 VanDerWaalsContact O-N 3.13Å; Y40-S43 PolarHBondContact O-OG 2.82Å; Y40-N77 HydrophobicContact CD1-CB 4.19Å; Y40-L79 HydrophobicContact CD1-CD2 3.96Å; Y40-L79 HydrophobicContact CD2-CD1 3.93Å; Y40-L79 HydrophobicContact CD2-CD2 3.95Å; Y40-L79 HydrophobicContact CE1-CD2 3.7Å; Y40-L79 HydrophobicContact CE2-CD1 4.29Å; Y40-L79 HydrophobicContact CE2-CD2 3.7Å; Y40-L79 HydrophobicContact CG-CD1 4.27Å; Y40-L79 HydrophobicContact CG-CD2 4.09Å; Y40-P110 HydrophobicContact CE1-CG 3.84Å; Y40-P110 WeakPolarHBondContact OH-CB 3.39Å; Y40-P110 WeakPolarHBondContact OH-CG 3.19Å; Y40-F112 AromaticContact CE2-CZ 3.94Å; Y40-F112 HydrophobicContact CE2-CZ 3.94Å
41R97.8Very high98.3Very high61 Ų6141.6 Ų41.623%0.2321%0.212CC..THydrogen-bonded Turntrans-57.6143173.7-172.1176.4-60.2-76.3-8.1110.3R18 D21 Y23 D24 E38 S43 P148 D149R18-R41 VanDerWaalsContact CZ-CZ 3.48Å; D21-R41 IonicContact OD1-CZ 3.32Å; D21-R41 IonicContact OD1-NH1 3.13Å; D21-R41 PolarHBondContact OD1-NH1 3.04Å; D21-R41 IonicContact OD1-NH2 3.47Å; D21-R41 PolarHBondContact OD1-NH2 2.84Å; D21-R41 IonicContact OD2-CZ 3.53Å; D21-R41 IonicContact OD2-NH1 3.78Å; D21-R41 PolarHBondContact OD2-NH1 3.08Å; D21-R41 IonicContact OD2-NH2 2.6Å; D21-R41 PolarHBondContact OD2-NH2 2.91Å; Y23-R41 HydrophobicContact CD2-CB 3.84Å; Y23-R41 HydrophobicContact CD2-CG 4.09Å; Y23-R41 HydrophobicContact CE2-CB 4.42Å; Y23-R41 HydrophobicContact CG-CB 4.27Å; D24-R41 IonicContact OD1-NH2 3.27Å; D24-R41 PolarHBondContact OD1-NH2 3.47Å; E38-R41 VanDerWaalsContact O-CB 3.23Å; E38-R41 WeakPolarHBondContact O-CB 3.41Å; E38-R41 PolarHBondContact O-N 3.43Å; E38-R41 WeakPolarHBondContact OE1-CD 3.42Å; E38-R41 IonicContact OE1-CZ 3.11Å; E38-R41 IonicContact OE1-NE 2.81Å; E38-R41 PolarHBondContact OE1-NE 3.49Å; E38-R41 IonicContact OE2-CZ 3.21Å; E38-R41 VanDerWaalsContact OE2-CZ 3.26Å; E38-R41 IonicContact OE2-NE 3.39Å; E38-R41 PolarHBondContact OE2-NE 3.17Å; E38-R41 IonicContact OE2-NH2 3.73Å; E38-R41 PolarHBondContact OE2-NH2 3.2Å; R41-S43 PolarHBondContact O-N 2.81Å; R41-P148 WeakPolarHBondContact CG-O 3.48Å; R41-D149 PolarHBondContact NH1-O 3.04Å
42G96.7Very high98.3Very high25 Ų2533.7 Ų33.726%0.25818%0.184SC..THydrogen-bonded Turntrans80.62.7-175.400000114.1P148 L176G42-P148 PolarHBondContact N-O 3.01Å; G42-L176 VanDerWaalsContact O-CD2 3.29Å; G42-L176 WeakPolarHBondContact O-CD2 3.21Å
43S97.7Very high98.3Very high7 Ų736.5 Ų36.55%0.04918%0.182CC..SBendtrans-123.2156.8168.875.20000110.8Y23 Y40 R41 N77 P148Y23-S43 PolarHBondContact OH-O 3.16Å; Y40-S43 PolarHBondContact O-N 3.42Å; Y40-S43 VanDerWaalsContact O-N 3.13Å; Y40-S43 PolarHBondContact O-OG 2.82Å; R41-S43 PolarHBondContact O-N 2.81Å; S43-N77 PolarHBondContact OG-ND2 2.89Å; S43-P148 WeakPolarHBondContact O-CA 3.33Å
44V98.6Very high98.1Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-77.6134.7171.6-179.60000108.3H75 F76 N77 L145 P148 I169 L172 V173V44-H75 PolarHBondContact N-O 3.05Å; V44-F76 HydrophobicContact CB-CD2 4.09Å; V44-F76 HydrophobicContact CG1-CD2 4.05Å; V44-F76 HydrophobicContact CG1-CE2 4.44Å; V44-F76 CarbonylContact O-C 3.59Å; V44-F76 WeakPolarHBondContact O-CA 3.12Å; V44-F76 WeakPolarHBondContact O-CD2 3.4Å; V44-N77 PolarHBondContact O-N 3.26Å; V44-L145 HydrophobicContact CG1-CD1 3.45Å; V44-L145 VanDerWaalsContact CG1-CD1 3.45Å; V44-P148 HydrophobicContact CG2-CG 3.98Å; V44-I169 HydrophobicContact CG1-CG2 4.38Å; V44-L172 HydrophobicContact CG1-CB 4.34Å; V44-L172 HydrophobicContact CG1-CD1 4.23Å; V44-L172 HydrophobicContact CG2-CB 3.76Å; V44-V173 HydrophobicContact CB-CG2 4.01Å; V44-V173 HydrophobicContact CG2-CG2 3.86Å
45S98.8Very high98Very high0 Ų029 Ų290%017%0.169CC..EExtended strand (participates in β ladder)trans-119.6135.1176.6-60.80000111.7Y23 N77 V146Y23-S45 WeakPolarHBondContact OH-CB 3.29Å; Y23-S45 PolarHBondContact OH-OG 3.21Å; S45-N77 CarbonylContact C-O 3.39Å; S45-N77 VanDerWaalsContact CA-O 3.26Å; S45-N77 WeakPolarHBondContact CA-O 3.31Å; S45-V146 PolarHBondContact N-O 3.42Å; S45-V146 PolarHBondContact O-N 3.44Å
46L98.9Very high97.8Very high0 Ų030.6 Ų30.60%017%0.174CC..EExtended strand (participates in β ladder)trans-103.4105.9165.7-171.369.1000108.6V48 L64 L67 F76 N77 V78 L79 K143 I169L46-V48 HydrophobicContact CD2-CG2 4.27Å; L46-V48 HydrophobicContact CG-CG2 3.99Å; L46-L64 HydrophobicContact CD2-CD2 3.62Å; L46-L67 HydrophobicContact CD2-CD2 3.83Å; L46-F76 HydrophobicContact CB-CE2 3.79Å; L46-F76 HydrophobicContact CB-CZ 3.66Å; L46-N77 PolarHBondContact N-O 2.85Å; L46-V78 CarbonylContact O-C 3.57Å; L46-V78 WeakPolarHBondContact O-CA 3.45Å; L46-L79 PolarHBondContact O-N 3.42Å; L46-K143 HydrophobicContact CD1-CB 4.1Å; L46-I169 HydrophobicContact CB-CD1 4.47Å; L46-I169 HydrophobicContact CD1-CD1 4Å; L46-I169 HydrophobicContact CD2-CD1 3.9Å; L46-I169 HydrophobicContact CG-CD1 4.35Å
47V98.9Very high97.8Very high0 Ų028.5 Ų28.50%016%0.159CC..EExtended strand (participates in β ladder)trans-90.1126.9-179.7-172.70000109.1F22 L79 F81 F126 L129 K143 Y144 V146F22-V47 HydrophobicContact CD1-CG2 4.48Å; F22-V47 HydrophobicContact CE1-CG2 3.67Å; F22-V47 HydrophobicContact CE2-CG1 4.37Å; F22-V47 HydrophobicContact CE2-CG2 3.95Å; F22-V47 HydrophobicContact CZ-CB 4.37Å; F22-V47 HydrophobicContact CZ-CG1 4.12Å; F22-V47 HydrophobicContact CZ-CG2 3.34Å; V47-L79 WeakPolarHBondContact CA-O 3.2Å; V47-L79 HydrophobicContact CG2-CB 4.34Å; V47-L79 HydrophobicContact CG2-CD1 4.24Å; V47-F81 HydrophobicContact CG1-CD2 3.78Å; V47-F81 HydrophobicContact CG1-CE2 3.66Å; V47-F126 HydrophobicContact CG1-CE2 4.2Å; V47-F126 HydrophobicContact CG1-CZ 4.08Å; V47-L129 HydrophobicContact CB-CD1 4.1Å; V47-L129 HydrophobicContact CG1-CD1 3.73Å; V47-L129 HydrophobicContact CG2-CD1 4.5Å; V47-K143 CarbonylContact O-C 3.59Å; V47-K143 WeakPolarHBondContact O-CA 3.44Å; V47-Y144 PolarHBondContact N-O 3.23Å; V47-Y144 PolarHBondContact O-N 2.91Å; V47-V146 HydrophobicContact CG2-CG2 3.87Å
48V98.9Very high97.7Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-135.4130.8-173.6-170.70000110.5L46 V50 L64 L79 A80 F81 F141 W142 K143L46-V48 HydrophobicContact CD2-CG2 4.27Å; L46-V48 HydrophobicContact CG-CG2 3.99Å; V48-V50 HydrophobicContact CB-CG1 4.28Å; V48-V50 HydrophobicContact CG1-CG1 3.9Å; V48-L64 HydrophobicContact CB-CD1 4.49Å; V48-L64 HydrophobicContact CG1-CD1 4.2Å; V48-L64 HydrophobicContact CG2-CD1 4.3Å; V48-L64 HydrophobicContact CG2-CD2 3.94Å; V48-L79 PolarHBondContact N-O 2.81Å; V48-A80 WeakPolarHBondContact O-CA 3.33Å; V48-F81 PolarHBondContact O-N 2.96Å; V48-F141 HydrophobicContact CG1-CD1 4.21Å; V48-W142 VanDerWaalsContact CA-O 3.32Å; V48-W142 WeakPolarHBondContact CA-O 3.43Å; V48-W142 WeakPolarHBondContact CG1-O 3.34Å; V48-K143 HydrophobicContact CG1-CG 4.42Å; V48-K143 HydrophobicContact CG2-CG 4.21Å
49N98.9Very high97.7Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-83.4123.3165.468.1-58.1000109.6F81 C83 F86 V117 F126 W139 F141 W142N49-F81 CarbonylContact C-O 3.54Å; N49-F81 WeakPolarHBondContact CA-O 3.3Å; N49-C83 HydrophobicContact CB-CB 4.46Å; N49-F86 WeakPolarHBondContact ND2-CE2 3.47Å; N49-V117 HydrophobicContact CB-CG1 4.05Å; N49-V117 HydrophobicContact CB-CG2 4.45Å; N49-F126 HydrophobicContact CB-CE1 4Å; N49-F126 HydrophobicContact CB-CZ 4Å; N49-W139 PolarHBondContact ND2-O 3.35Å; N49-F141 VanDerWaalsContact O-CA 3.23Å; N49-F141 WeakPolarHBondContact O-CA 3.39Å; N49-F141 PolarHBondContact O-N 2.94Å; N49-W142 PolarHBondContact N-O 2.69Å; N49-W142 WeakPolarHBondContact OD1-CA 3.39Å; N49-W142 WeakPolarHBondContact OD1-CB 3.39Å; N49-W142 PolarHBondContact OD1-N 2.85Å; N49-W142 PolarHBondContact OD1-O 3.36Å
50V98.8Very high97.7Very high0 Ų027.1 Ų27.10%016%0.157CC..EExtended strand (participates in β ladder)trans-114160.9-172.1-60.40000111.7V48 Y61 A80 F81 P82 C83 F141V48-V50 HydrophobicContact CB-CG1 4.28Å; V48-V50 HydrophobicContact CG1-CG1 3.9Å; V50-Y61 HydrophobicContact CB-CE2 4.34Å; V50-Y61 WeakPolarHBondContact CG2-OH 3.31Å; V50-A80 HydrophobicContact CG1-CB 4.05Å; V50-A80 HydrophobicContact CG2-CB 4.23Å; V50-F81 PolarHBondContact N-O 3.43Å; V50-P82 HydrophobicContact CG2-CB 4.28Å; V50-P82 HydrophobicContact CG2-CG 4.02Å; V50-P82 WeakPolarHBondContact O-CA 3.42Å; V50-C83 PolarHBondContact O-N 3.32Å; V50-F141 HydrophobicContact CB-CE1 4.1Å; V50-F141 HydrophobicContact CB-CZ 4.46Å; V50-F141 HydrophobicContact CG1-CD1 4.28Å; V50-F141 HydrophobicContact CG1-CE1 3.94Å
51A98.6Very high97.8Very high0 Ų026.6 Ų26.60%016%0.155CC..  trans-142.2147.5174.400000109.1C54 T57 Q89 E90 N140 F141A51-C54 HydrophobicContact CB-CB 3.9Å; A51-T57 PolarHBondContact O-OG1 2.83Å; A51-Q89 HydrophobicContact CB-CB 3.98Å; A51-E90 WeakPolarHBondContact CA-OE2 3.42Å; A51-E90 HydrophobicContact CB-CB 4.45Å; A51-E90 PolarHBondContact N-OE2 2.89Å; A51-N140 HydrophobicContact CB-CB 3.88Å; A51-N140 WeakPolarHBondContact CB-ND2 3.42Å; A51-N140 WeakPolarHBondContact CB-OD1 3.35Å; A51-F141 HydrophobicContact CB-CE2 4.42Å; A51-F141 WeakPolarHBondContact O-CZ 3.34Å
52S98Very high97.8Very high12 Ų1230 Ų308%0.08417%0.168CC..SBendtrans-91.5-25.5177.8-57.70000113.5T57 Q89 E90 F100S52-T57 WeakPolarHBondContact O-CG2 3.5Å; S52-T57 PolarHBondContact O-OG1 3.13Å; S52-Q89 PolarHBondContact N-O 2.85Å; S52-Q89 VanDerWaalsContact N-O 3.17Å; S52-E90 WeakPolarHBondContact CB-OE1 3.28Å; S52-E90 VanDerWaalsContact N-CD 3.34Å; S52-E90 PolarHBondContact N-OE1 3.47Å; S52-E90 PolarHBondContact N-OE2 3.46Å; S52-E90 PolarHBondContact OG-OE1 2.84Å; S52-F100 VanDerWaalsContact OG-CD1 3.27Å; S52-F100 WeakPolarHBondContact OG-CD1 3.2Å
53E96.8Very high97.9Very high114 Ų11429.1 Ų29.153%0.53316%0.159SC..SBendtrans-111.833.5-175-59.3-175.5-171.500112.6Q89E53-Q89 HydrophobicContact CB-CB 4.23Å; E53-Q89 PolarHBondContact N-O 3.24Å; E53-Q89 WeakPolarHBondContact O-CG 3.45Å; E53-Q89 PolarHBondContact O-NE2 3.48Å
54C95.9Very high98Very high11 Ų1128.8 Ų28.87%0.07416%0.156CC..SBendtrans-103.4147.8179.4-1740000111.7A51 F56 T57 Q89 N140 F141A51-C54 HydrophobicContact CB-CB 3.9Å; C54-F56 PolarHBondContact O-N 2.98Å; C54-F56 VanDerWaalsContact O-N 3.11Å; C54-T57 WeakPolarHBondContact CA-OG1 3.29Å; C54-T57 WeakPolarHBondContact CB-OG1 3.37Å; C54-T57 PolarHBondContact N-OG1 2.93Å; C54-T57 WeakPolarHBondContact O-CB 3.45Å; C54-T57 PolarHBondContact O-N 3.44Å; C54-T57 PolarHBondContact O-OG1 2.96Å; C54-Q89 HydrophobicContact CB-CB 4.35Å; C54-Q89 PolarHBondContact SG-OE1 2.99Å; C54-N140 HydrophobicContact CB-CB 4.42Å; C54-F141 HydrophobicContact CB-CE2 3.92Å
55G94.9Very high98Very high81 Ų8129.1 Ų29.184%0.83516%0.158SC*.THydrogen-bonded Turntrans-60-20.8173.200000114.1
56F94.9Very high97.9Very high61 Ų6132.5 Ų32.527%0.26817%0.174SC..THydrogen-bonded Turntrans-85.5-9.8175.1-72.6-64.9000113.9C54 D58 H60 W139 F141 P158C54-F56 PolarHBondContact O-N 2.98Å; C54-F56 VanDerWaalsContact O-N 3.11Å; F56-D58 PolarHBondContact O-N 3.49Å; F56-H60 AromaticContact CD1-CD2 3.92Å; F56-H60 AromaticContact CD1-NE2 3.73Å; F56-H60 WeakPolarHBondContact O-CB 3.32Å; F56-H60 PolarHBondContact O-CD2 3.24Å; F56-H60 VanDerWaalsContact O-CD2 3.23Å; F56-H60 PolarHBondContact O-N 3.46Å; F56-H60 VanDerWaalsContact O-N 3.09Å; F56-W139 AromaticContact CD2-CD1 3.98Å; F56-W139 AromaticContact CD2-NE1 3.97Å; F56-F141 HydrophobicContact CB-CD2 3.53Å; F56-F141 HydrophobicContact CB-CE2 3.94Å; F56-F141 HydrophobicContact CB-CG 4.26Å; F56-P158 HydrophobicContact CD2-CB 4.03Å; F56-P158 HydrophobicContact CD2-CG 4.5Å; F56-P158 HydrophobicContact CE2-CB 4.02Å; F56-P158 HydrophobicContact CE2-CG 4.14Å; F56-P158 HydrophobicContact CG-CB 4.3Å; F56-P158 HydrophobicContact CZ-CB 4.27Å
57T97.7Very high97.9Very high5 Ų532.6 Ų32.63%0.03117%0.174CC..Hα-helixtrans-56.6-54.2-169.2-55.60000112.6A51 S52 C54 Q59 H60 Y61 F100 Y105A51-T57 PolarHBondContact O-OG1 2.83Å; S52-T57 WeakPolarHBondContact O-CG2 3.5Å; S52-T57 PolarHBondContact O-OG1 3.13Å; C54-T57 WeakPolarHBondContact CA-OG1 3.29Å; C54-T57 WeakPolarHBondContact CB-OG1 3.37Å; C54-T57 PolarHBondContact N-OG1 2.93Å; C54-T57 WeakPolarHBondContact O-CB 3.45Å; C54-T57 PolarHBondContact O-N 3.44Å; C54-T57 PolarHBondContact O-OG1 2.96Å; T57-Q59 PolarHBondContact O-N 3.13Å; T57-H60 PolarHBondContact O-N 3.5Å; T57-Y61 HydrophobicContact CG2-CD2 3.52Å; T57-Y61 HydrophobicContact CG2-CE2 3.82Å; T57-Y61 WeakPolarHBondContact O-CB 3.47Å; T57-Y61 WeakPolarHBondContact O-CD2 3.31Å; T57-Y61 PolarHBondContact O-N 2.91Å; T57-F100 HydrophobicContact CG2-CE1 3.88Å; T57-F100 HydrophobicContact CG2-CZ 3.91Å; T57-Y105 HydrophobicContact CG2-CE2 4.24Å
58D97.9Very high97.9Very high73 Ų7333.1 Ų33.139%0.3918%0.176SC..Hα-helixtrans-64.1-48.7-171-170.378.7000112.3F56 R62 Y105F56-D58 PolarHBondContact O-N 3.49Å; D58-R62 VanDerWaalsContact CG-NE 3.29Å; D58-R62 WeakPolarHBondContact O-CB 3.35Å; D58-R62 VanDerWaalsContact O-CG 3.22Å; D58-R62 WeakPolarHBondContact O-CG 3.4Å; D58-R62 PolarHBondContact O-N 3.43Å; D58-R62 IonicContact OD1-CZ 3.43Å; D58-R62 IonicContact OD1-NE 3.29Å; D58-R62 PolarHBondContact OD1-NE 3.23Å; D58-R62 VanDerWaalsContact OD1-NE 3.12Å; D58-R62 IonicContact OD1-NH2 3.45Å; D58-R62 PolarHBondContact OD1-NH2 2.81Å; D58-R62 IonicContact OD2-CZ 3.34Å; D58-R62 IonicContact OD2-NE 2.9Å; D58-R62 PolarHBondContact OD2-NE 3.19Å; D58-R62 IonicContact OD2-NH2 2.81Å; D58-Y105 WeakPolarHBondContact CA-OH 3.21Å; D58-Y105 VanDerWaalsContact OD1-CE1 3.3Å; D58-Y105 WeakPolarHBondContact OD1-CE1 3.2Å; D58-Y105 PolarHBondContact OD1-OH 2.81Å
59Q97.8Very high97.8Very high105 Ų10539.9 Ų39.949%0.49120%0.202SC..Hα-helixtrans-62.4-49.7179.1-176.7-178.61.700111.6T57 A63T57-Q59 PolarHBondContact O-N 3.13Å; Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 2.9Å; Q59-A63 VanDerWaalsContact O-N 3.09Å
60H98.3Very high97.8Very high4 Ų443.1 Ų43.12%0.01922%0.219CC..Hα-helixtrans-70-43.1-174.6-77.7-90.3000112F56 T57 R62 A63 L64 F141 K143 P158F56-H60 AromaticContact CD1-CD2 3.92Å; F56-H60 AromaticContact CD1-NE2 3.73Å; F56-H60 WeakPolarHBondContact O-CB 3.32Å; F56-H60 PolarHBondContact O-CD2 3.24Å; F56-H60 VanDerWaalsContact O-CD2 3.23Å; F56-H60 PolarHBondContact O-N 3.46Å; F56-H60 VanDerWaalsContact O-N 3.09Å; T57-H60 PolarHBondContact O-N 3.5Å; H60-R62 PolarHBondContact O-N 3.28Å; H60-A63 PolarHBondContact O-N 3.29Å; H60-L64 VanDerWaalsContact O-CB 3.27Å; H60-L64 WeakPolarHBondContact O-CB 3.38Å; H60-L64 WeakPolarHBondContact O-CG 3.36Å; H60-L64 PolarHBondContact O-N 3.11Å; H60-F141 HydrophobicContact CB-CB 4.49Å; H60-F141 HydrophobicContact CB-CD1 3.36Å; H60-F141 HydrophobicContact CB-CE1 3.62Å; H60-F141 HydrophobicContact CB-CG 3.94Å; H60-F141 HydrophobicContact CB-CZ 4.4Å; H60-F141 AromaticContact CG-CD1 3.79Å; H60-F141 AromaticContact CG-CG 3.9Å; H60-K143 WeakPolarHBondContact CE1-CE 3.21Å; H60-K143 PolarHBondContact CE1-NZ 2.71Å; H60-K143 VanDerWaalsContact CE1-NZ 3.32Å; H60-K143 WeakPolarHBondContact ND1-CE 3.49Å; H60-P158 PolarHBondContact CE1-O 3.34Å; H60-P158 PolarHBondContact NE2-O 3.5Å; H60-P158 VanDerWaalsContact NE2-O 3.12Å
61Y98.6Very high97.7Very high0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-62.4-41.9177.9-92.7-76.6000112.6V50 T57 Q65 F100 A101 Y105 V107 F109 M111 F141V50-Y61 HydrophobicContact CB-CE2 4.34Å; V50-Y61 WeakPolarHBondContact CG2-OH 3.31Å; T57-Y61 HydrophobicContact CG2-CD2 3.52Å; T57-Y61 HydrophobicContact CG2-CE2 3.82Å; T57-Y61 WeakPolarHBondContact O-CB 3.47Å; T57-Y61 WeakPolarHBondContact O-CD2 3.31Å; T57-Y61 PolarHBondContact O-N 2.91Å; Y61-Q65 VanDerWaalsContact O-CB 3.32Å; Y61-Q65 WeakPolarHBondContact O-CB 3.2Å; Y61-Q65 PolarHBondContact O-N 3.02Å; Y61-F100 HydrophobicContact CE2-CE1 4.42Å; Y61-A101 HydrophobicContact CE1-CB 3.9Å; Y61-Y105 HydrophobicContact CD1-CD2 4.11Å; Y61-Y105 HydrophobicContact CD2-CD2 4.25Å; Y61-Y105 HydrophobicContact CD2-CE2 4.05Å; Y61-Y105 AromaticContact CG-CD2 3.74Å; Y61-Y105 HydrophobicContact CG-CD2 3.74Å; Y61-Y105 AromaticContact CG-CE2 3.97Å; Y61-Y105 HydrophobicContact CG-CE2 3.97Å; Y61-Y105 HydrophobicContact CG-CG 4.25Å; Y61-V107 HydrophobicContact CD1-CG2 3.73Å; Y61-V107 HydrophobicContact CE1-CG2 4.06Å; Y61-F109 AromaticContact CD1-CZ 4Å; Y61-F109 HydrophobicContact CD1-CZ 4Å; Y61-F109 HydrophobicContact CE1-CZ 4.13Å; Y61-M111 HydrophobicContact CE1-CE 4.49Å; Y61-F141 HydrophobicContact CD2-CE1 4.15Å; Y61-F141 HydrophobicContact CD2-CZ 4.13Å; Y61-F141 HydrophobicContact CE2-CE1 4.2Å; Y61-F141 HydrophobicContact CE2-CZ 4.07Å
62R98.6Very high97.5Very high132 Ų13245.6 Ų45.650%0.49824%0.238SC..Hα-helixtrans-61.2-47.6176.5-72.2178.4-167.6-68.6-11.2111.4D58 H60 Q65 Q66 Y105D58-R62 VanDerWaalsContact CG-NE 3.29Å; D58-R62 WeakPolarHBondContact O-CB 3.35Å; D58-R62 VanDerWaalsContact O-CG 3.22Å; D58-R62 WeakPolarHBondContact O-CG 3.4Å; D58-R62 PolarHBondContact O-N 3.43Å; D58-R62 IonicContact OD1-CZ 3.43Å; D58-R62 IonicContact OD1-NE 3.29Å; D58-R62 PolarHBondContact OD1-NE 3.23Å; D58-R62 VanDerWaalsContact OD1-NE 3.12Å; D58-R62 IonicContact OD1-NH2 3.45Å; D58-R62 PolarHBondContact OD1-NH2 2.81Å; D58-R62 IonicContact OD2-CZ 3.34Å; D58-R62 IonicContact OD2-NE 2.9Å; D58-R62 PolarHBondContact OD2-NE 3.19Å; D58-R62 IonicContact OD2-NH2 2.81Å; H60-R62 PolarHBondContact O-N 3.28Å; R62-Q65 PolarHBondContact O-N 3Å; R62-Q66 WeakPolarHBondContact O-CB 3.39Å; R62-Q66 PolarHBondContact O-N 2.75Å; R62-Y105 HydrophobicContact CG-CD1 3.85Å; R62-Y105 HydrophobicContact CG-CE1 4.05Å
63A98.5Very high97.1Very high7 Ų749 Ų496%0.05826%0.26CS..Hα-helixtrans-68.8-40.7-177.900000112.4Q59 H60 Q66 L67 V162 E163Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 2.9Å; Q59-A63 VanDerWaalsContact O-N 3.09Å; H60-A63 PolarHBondContact O-N 3.29Å; A63-Q66 PolarHBondContact O-N 3.08Å; A63-L67 WeakPolarHBondContact O-CB 3.26Å; A63-L67 PolarHBondContact O-N 2.88Å; A63-V162 HydrophobicContact CB-CB 3.62Å; A63-V162 HydrophobicContact CB-CG1 4.03Å; A63-V162 HydrophobicContact CB-CG2 3.98Å; A63-E163 VanDerWaalsContact CB-OE1 3.23Å; A63-E163 WeakPolarHBondContact CB-OE1 3.43Å
64L98.8Very high96.8Very high0 Ų050.6 Ų50.60%027%0.267CS..Hα-helixtrans-61.9-43.1173.8-70.8171.2000111.7L46 V48 H60 L67 Q68 V78 F109 V162L46-L64 HydrophobicContact CD2-CD2 3.62Å; V48-L64 HydrophobicContact CB-CD1 4.49Å; V48-L64 HydrophobicContact CG1-CD1 4.2Å; V48-L64 HydrophobicContact CG2-CD1 4.3Å; V48-L64 HydrophobicContact CG2-CD2 3.94Å; H60-L64 VanDerWaalsContact O-CB 3.27Å; H60-L64 WeakPolarHBondContact O-CB 3.38Å; H60-L64 WeakPolarHBondContact O-CG 3.36Å; H60-L64 PolarHBondContact O-N 3.11Å; L64-L67 PolarHBondContact O-N 2.95Å; L64-Q68 WeakPolarHBondContact O-CB 3.31Å; L64-Q68 PolarHBondContact O-N 2.87Å; L64-V78 HydrophobicContact CB-CG1 4.42Å; L64-V78 HydrophobicContact CB-CG2 4.47Å; L64-V78 HydrophobicContact CD2-CG1 4.11Å; L64-V78 HydrophobicContact CD2-CG2 4.23Å; L64-F109 HydrophobicContact CB-CE1 3.94Å; L64-F109 HydrophobicContact CB-CZ 4.27Å; L64-V162 HydrophobicContact CD2-CG1 4.41Å; L64-V162 HydrophobicContact CD2-CG2 3.96Å; L64-V162 HydrophobicContact CG-CG2 4.1Å
65Q98.7Very high96.7Very high6 Ų652.4 Ų52.43%0.02827%0.274CS..Hα-helixtrans-66.5-40.1177.1179.754.32800111.4Y61 R62 Q68 R69 S106 V107 S108 F109Y61-Q65 VanDerWaalsContact O-CB 3.32Å; Y61-Q65 WeakPolarHBondContact O-CB 3.2Å; Y61-Q65 PolarHBondContact O-N 3.02Å; R62-Q65 PolarHBondContact O-N 3Å; Q65-Q68 PolarHBondContact O-N 2.81Å; Q65-R69 WeakPolarHBondContact O-CG 3.4Å; Q65-R69 PolarHBondContact O-N 2.91Å; Q65-S106 PolarHBondContact NE2-O 3.48Å; Q65-V107 VanDerWaalsContact OE1-CA 3.28Å; Q65-S108 PolarHBondContact NE2-OG 2.84Å; Q65-S108 PolarHBondContact OE1-OG 2.83Å; Q65-F109 HydrophobicContact CB-CE1 4.21Å
66Q98.4Very high96.9Very high72 Ų7248.6 Ų48.634%0.33623%0.234SC..Hα-helixtrans-60.6-46.6174.1-172.260.143.500111.2R62 A63 Q68 R69 D70R62-Q66 WeakPolarHBondContact O-CB 3.39Å; R62-Q66 PolarHBondContact O-N 2.75Å; A63-Q66 PolarHBondContact O-N 3.08Å; Q66-Q68 VanDerWaalsContact C-N 3.32Å; Q66-Q68 PolarHBondContact O-N 2.95Å; Q66-R69 PolarHBondContact O-N 3.44Å; Q66-R69 VanDerWaalsContact O-N 3.16Å; Q66-D70 PolarHBondContact NE2-OD1 3.46Å; Q66-D70 PolarHBondContact NE2-OD2 2.81Å; Q66-D70 PolarHBondContact O-N 2.87Å
67L98.1Very high97Very high2 Ų246.5 Ų46.51%0.0123%0.226CC..Hα-helixtrans-59.8-42.4177.4-172.170.3000112.1L46 A63 L64 D70 L71 F76 V162 R166 I169L46-L67 HydrophobicContact CD2-CD2 3.83Å; A63-L67 WeakPolarHBondContact O-CB 3.26Å; A63-L67 PolarHBondContact O-N 2.88Å; L64-L67 PolarHBondContact O-N 2.95Å; L67-D70 PolarHBondContact O-N 2.98Å; L67-L71 HydrophobicContact CD1-CD1 3.54Å; L67-L71 HydrophobicContact CD1-CG 4.28Å; L67-L71 HydrophobicContact CG-CD1 4.23Å; L67-L71 PolarHBondContact O-N 3.41Å; L67-L71 VanDerWaalsContact O-N 3.08Å; L67-F76 HydrophobicContact CB-CE1 4.43Å; L67-F76 HydrophobicContact CD2-CE1 3.73Å; L67-F76 HydrophobicContact CD2-CE2 4.35Å; L67-F76 HydrophobicContact CD2-CZ 3.41Å; L67-F76 VanDerWaalsContact CD2-CZ 3.41Å; L67-F76 HydrophobicContact CG-CD1 4.46Å; L67-F76 HydrophobicContact CG-CE1 3.61Å; L67-F76 HydrophobicContact CG-CZ 3.83Å; L67-V162 HydrophobicContact CB-CG1 4.42Å; L67-V162 HydrophobicContact CD2-CG1 4Å; L67-R166 HydrophobicContact CD1-CB 4.38Å; L67-R166 HydrophobicContact CD1-CG 3.91Å; L67-I169 HydrophobicContact CD2-CD1 3.56Å
68Q98.6Very high97.1Very high10 Ų1046.2 Ų46.25%0.04722%0.224CC..Hα-helixtrans-61.8-41.6175.317964.948.200112.1L64 Q65 Q66 D70 G72 V78 F109L64-Q68 WeakPolarHBondContact O-CB 3.31Å; L64-Q68 PolarHBondContact O-N 2.87Å; Q65-Q68 PolarHBondContact O-N 2.81Å; Q66-Q68 VanDerWaalsContact C-N 3.32Å; Q66-Q68 PolarHBondContact O-N 2.95Å; Q68-D70 VanDerWaalsContact C-N 3.35Å; Q68-G72 WeakPolarHBondContact O-CA 3.48Å; Q68-G72 PolarHBondContact O-N 3.47Å; Q68-V78 HydrophobicContact CB-CG2 4.29Å; Q68-F109 HydrophobicContact CB-CB 4.27Å; Q68-F109 HydrophobicContact CB-CD1 3.98Å; Q68-F109 HydrophobicContact CG-CB 3.77Å; Q68-F109 HydrophobicContact CG-CD1 4.27Å
69R98Very high97.1Very high142 Ų14242.8 Ų42.854%0.53621%0.206SC..Hα-helixtrans-64.7-40.1177-74.1-170.5-69-143.51.6112.1Q65 Q66Q65-R69 WeakPolarHBondContact O-CG 3.4Å; Q65-R69 PolarHBondContact O-N 2.91Å; Q66-R69 PolarHBondContact O-N 3.44Å; Q66-R69 VanDerWaalsContact O-N 3.16Å
70D97.4Very high97.2Very high69 Ų6937.8 Ų37.837%0.36918%0.182SC..Hα-helixtrans-76.7-34.8-173.3-67.7-9.5000112.8Q66 L67 Q68 R166Q66-D70 PolarHBondContact NE2-OD1 3.46Å; Q66-D70 PolarHBondContact NE2-OD2 2.81Å; Q66-D70 PolarHBondContact O-N 2.87Å; L67-D70 PolarHBondContact O-N 2.98Å; Q68-D70 VanDerWaalsContact C-N 3.35Å; D70-R166 IonicContact OD2-CZ 3.12Å; D70-R166 IonicContact OD2-NH1 2.82Å; D70-R166 PolarHBondContact OD2-NH1 3.16Å; D70-R166 IonicContact OD2-NH2 3.5Å; D70-R166 PolarHBondContact OD2-NH2 3.35Å
71L97.1Very high97.2Very high29 Ų2937.6 Ų37.615%0.15218%0.182CC..Hα-helixtrans-116.4-20.1-169.5-58.3-178.4000114.4L67 F76 I169 V173L67-L71 HydrophobicContact CD1-CD1 3.54Å; L67-L71 HydrophobicContact CD1-CG 4.28Å; L67-L71 HydrophobicContact CG-CD1 4.23Å; L67-L71 PolarHBondContact O-N 3.41Å; L67-L71 VanDerWaalsContact O-N 3.08Å; L71-F76 HydrophobicContact CB-CB 3.58Å; L71-F76 HydrophobicContact CB-CD1 3.71Å; L71-F76 HydrophobicContact CB-CG 3.8Å; L71-F76 HydrophobicContact CD1-CD1 4.4Å; L71-F76 HydrophobicContact CD1-CG 4.33Å; L71-I169 HydrophobicContact CD1-CG2 3.69Å; L71-V173 HydrophobicContact CD1-CG2 4.49Å
72G95.1Very high97.2Very high23 Ų2337.6 Ų37.624%0.23718%0.182CC..THydrogen-bonded Turntrans-91.4174.6-177.100000114.1Q68 F76Q68-G72 WeakPolarHBondContact O-CA 3.48Å; Q68-G72 PolarHBondContact O-N 3.47Å; G72-F76 VanDerWaalsContact CA-O 3.31Å; G72-F76 WeakPolarHBondContact CA-O 3.24Å
73P89.8Confident97.2Very high83 Ų8331.3 Ų31.354%0.53916%0.158SC..THydrogen-bonded Turncis-92.7-6.7-6.735.9-34.4000113.7
74H88.9Confident97.2Very high147 Ų14733.3 Ų33.368%0.68117%0.168SC*.THydrogen-bonded Turntrans-74.8-31.5-167.4-66-66.1000114.5
75H94.4Very high97.2Very high50 Ų5037.4 Ų37.423%0.23119%0.187CC..SBendtrans-125.3-8.4-173.9-59.4-59.6000113.6V44 V173 L176V44-H75 PolarHBondContact N-O 3.05Å; H75-V173 HydrophobicContact CB-CG1 3.87Å; H75-L176 HydrophobicContact CB-CD2 4.08Å
76F98.5Very high97.2Very high0 Ų037.9 Ų37.90%019%0.189CC..EExtended strand (participates in β ladder)trans-147.5144-177.4177.2-102.8000112.7V44 L46 L67 L71 G72 V78 I169 V173V44-F76 HydrophobicContact CB-CD2 4.09Å; V44-F76 HydrophobicContact CG1-CD2 4.05Å; V44-F76 HydrophobicContact CG1-CE2 4.44Å; V44-F76 CarbonylContact O-C 3.59Å; V44-F76 WeakPolarHBondContact O-CA 3.12Å; V44-F76 WeakPolarHBondContact O-CD2 3.4Å; L46-F76 HydrophobicContact CB-CE2 3.79Å; L46-F76 HydrophobicContact CB-CZ 3.66Å; L67-F76 HydrophobicContact CB-CE1 4.43Å; L67-F76 HydrophobicContact CD2-CE1 3.73Å; L67-F76 HydrophobicContact CD2-CE2 4.35Å; L67-F76 HydrophobicContact CD2-CZ 3.41Å; L67-F76 VanDerWaalsContact CD2-CZ 3.41Å; L67-F76 HydrophobicContact CG-CD1 4.46Å; L67-F76 HydrophobicContact CG-CE1 3.61Å; L67-F76 HydrophobicContact CG-CZ 3.83Å; L71-F76 HydrophobicContact CB-CB 3.58Å; L71-F76 HydrophobicContact CB-CD1 3.71Å; L71-F76 HydrophobicContact CB-CG 3.8Å; L71-F76 HydrophobicContact CD1-CD1 4.4Å; L71-F76 HydrophobicContact CD1-CG 4.33Å; G72-F76 VanDerWaalsContact CA-O 3.31Å; G72-F76 WeakPolarHBondContact CA-O 3.24Å; F76-V78 HydrophobicContact CE1-CG2 3.67Å; F76-V78 HydrophobicContact CZ-CG2 3.84Å; F76-I169 HydrophobicContact CD2-CG2 3.58Å; F76-I169 HydrophobicContact CE2-CD1 4.37Å; F76-I169 HydrophobicContact CE2-CG2 3.42Å; F76-I169 VanDerWaalsContact CE2-CG2 3.42Å; F76-I169 HydrophobicContact CG-CG2 4.42Å; F76-I169 HydrophobicContact CZ-CG2 4.15Å; F76-V173 HydrophobicContact CB-CG2 4.02Å
77N98.4Very high97.1Very high17 Ų1737.1 Ų37.19%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-139.6133.3173.1-66.7-80.1000111.7Y40 S43 V44 S45 L46 L79Y40-N77 HydrophobicContact CD1-CB 4.19Å; S43-N77 PolarHBondContact OG-ND2 2.89Å; V44-N77 PolarHBondContact O-N 3.26Å; S45-N77 CarbonylContact C-O 3.39Å; S45-N77 VanDerWaalsContact CA-O 3.26Å; S45-N77 WeakPolarHBondContact CA-O 3.31Å; L46-N77 PolarHBondContact N-O 2.85Å; N77-L79 HydrophobicContact CB-CD2 4.09Å
78V98.9Very high97.1Very high0 Ų044.1 Ų44.10%023%0.233CC..EExtended strand (participates in β ladder)trans-80.3132.1157.8177.70000108.4L46 L64 Q68 F76 F109 P110L46-V78 CarbonylContact O-C 3.57Å; L46-V78 WeakPolarHBondContact O-CA 3.45Å; L64-V78 HydrophobicContact CB-CG1 4.42Å; L64-V78 HydrophobicContact CB-CG2 4.47Å; L64-V78 HydrophobicContact CD2-CG1 4.11Å; L64-V78 HydrophobicContact CD2-CG2 4.23Å; Q68-V78 HydrophobicContact CB-CG2 4.29Å; F76-V78 HydrophobicContact CE1-CG2 3.67Å; F76-V78 HydrophobicContact CZ-CG2 3.84Å; V78-F109 HydrophobicContact CB-CB 3.73Å; V78-F109 HydrophobicContact CB-CD1 3.97Å; V78-F109 HydrophobicContact CB-CD2 4.16Å; V78-F109 HydrophobicContact CB-CG 3.71Å; V78-F109 HydrophobicContact CG1-CB 4.39Å; V78-F109 HydrophobicContact CG1-CD1 4.15Å; V78-F109 HydrophobicContact CG1-CD2 3.87Å; V78-F109 HydrophobicContact CG1-CE1 4.36Å; V78-F109 HydrophobicContact CG1-CE2 4.11Å; V78-F109 HydrophobicContact CG1-CG 3.9Å; V78-F109 HydrophobicContact CG1-CZ 4.33Å; V78-F109 HydrophobicContact CG2-CD1 4.38Å; V78-P110 VanDerWaalsContact O-CD 3.31Å; V78-P110 WeakPolarHBondContact O-CD 3.26Å
79L98.9Very high97.1Very high0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-117.799.5176.5-57.7-176.3000108.6F22 Y40 L46 V47 V48 N77 F81 P110 F112F22-L79 HydrophobicContact CE1-CD1 3.82Å; F22-L79 HydrophobicContact CZ-CD1 4.24Å; Y40-L79 HydrophobicContact CD1-CD2 3.96Å; Y40-L79 HydrophobicContact CD2-CD1 3.93Å; Y40-L79 HydrophobicContact CD2-CD2 3.95Å; Y40-L79 HydrophobicContact CE1-CD2 3.7Å; Y40-L79 HydrophobicContact CE2-CD1 4.29Å; Y40-L79 HydrophobicContact CE2-CD2 3.7Å; Y40-L79 HydrophobicContact CG-CD1 4.27Å; Y40-L79 HydrophobicContact CG-CD2 4.09Å; L46-L79 PolarHBondContact O-N 3.42Å; V47-L79 WeakPolarHBondContact CA-O 3.2Å; V47-L79 HydrophobicContact CG2-CB 4.34Å; V47-L79 HydrophobicContact CG2-CD1 4.24Å; V48-L79 PolarHBondContact N-O 2.81Å; N77-L79 HydrophobicContact CB-CD2 4.09Å; L79-F81 HydrophobicContact CB-CE2 3.96Å; L79-F81 WeakPolarHBondContact O-CD2 3.32Å; L79-P110 HydrophobicContact CD2-CB 3.97Å; L79-P110 HydrophobicContact CD2-CG 4.02Å; L79-F112 HydrophobicContact CB-CE2 3.94Å; L79-F112 HydrophobicContact CD2-CE2 4.05Å; L79-F112 HydrophobicContact CD2-CZ 4.36Å; L79-F112 HydrophobicContact CG-CE2 4.48Å
80A98.9Very high97.1Very high0 Ų038.7 Ų38.70%021%0.214CC..EExtended strand (participates in β ladder)trans-96.5126-172.800000112.4V48 V50 F109 P110 M111 F112V48-A80 WeakPolarHBondContact O-CA 3.33Å; V50-A80 HydrophobicContact CG1-CB 4.05Å; V50-A80 HydrophobicContact CG2-CB 4.23Å; A80-F109 HydrophobicContact CB-CD2 3.96Å; A80-F109 HydrophobicContact CB-CE2 3.55Å; A80-P110 PolarHBondContact N-O 3.41Å; A80-P110 VanDerWaalsContact N-O 3.07Å; A80-M111 HydrophobicContact CB-CG 4.26Å; A80-M111 WeakPolarHBondContact O-CA 3.16Å; A80-F112 WeakPolarHBondContact O-CD2 3.44Å; A80-F112 PolarHBondContact O-N 3.3Å
81F98.9Very high97.1Very high0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-118.9101.6-178.8-69.3-96.4000110.3A27 V47 V48 N49 V50 L79 F112 I115 F126A27-F81 HydrophobicContact CB-CE1 3.86Å; A27-F81 HydrophobicContact CB-CZ 4.37Å; V47-F81 HydrophobicContact CG1-CD2 3.78Å; V47-F81 HydrophobicContact CG1-CE2 3.66Å; V48-F81 PolarHBondContact O-N 2.96Å; N49-F81 CarbonylContact C-O 3.54Å; N49-F81 WeakPolarHBondContact CA-O 3.3Å; V50-F81 PolarHBondContact N-O 3.43Å; L79-F81 HydrophobicContact CB-CE2 3.96Å; L79-F81 WeakPolarHBondContact O-CD2 3.32Å; F81-F112 HydrophobicContact CD1-CB 3.5Å; F81-F112 VanDerWaalsContact CD1-CB 3.5Å; F81-F112 HydrophobicContact CD1-CD2 4.04Å; F81-F112 AromaticContact CD1-CG 3.83Å; F81-F112 HydrophobicContact CD1-CG 3.83Å; F81-F112 HydrophobicContact CD2-CD2 4.03Å; F81-F112 HydrophobicContact CE1-CB 3.6Å; F81-F112 AromaticContact CE1-CD1 3.9Å; F81-F112 HydrophobicContact CE1-CD1 3.9Å; F81-F112 AromaticContact CE1-CD2 3.66Å; F81-F112 HydrophobicContact CE1-CD2 3.66Å; F81-F112 HydrophobicContact CE1-CE1 4.48Å; F81-F112 HydrophobicContact CE1-CE2 4.3Å; F81-F112 AromaticContact CE1-CG 3.42Å; F81-F112 HydrophobicContact CE1-CG 3.42Å; F81-F112 VanDerWaalsContact CE1-CG 3.42Å; F81-F112 AromaticContact CE2-CD2 3.64Å; F81-F112 HydrophobicContact CE2-CD2 3.64Å; F81-F112 AromaticContact CE2-CE2 3.85Å; F81-F112 HydrophobicContact CE2-CE2 3.85Å; F81-F112 HydrophobicContact CE2-CG 4.29Å; F81-F112 HydrophobicContact CG-CB 4.15Å; F81-F112 HydrophobicContact CG-CD2 4.22Å; F81-F112 HydrophobicContact CG-CG 4.43Å; F81-F112 HydrophobicContact CZ-CB 4.3Å; F81-F112 HydrophobicContact CZ-CD1 4.12Å; F81-F112 AromaticContact CZ-CD2 3.44Å; F81-F112 HydrophobicContact CZ-CD2 3.44Å; F81-F112 VanDerWaalsContact CZ-CD2 3.44Å; F81-F112 HydrophobicContact CZ-CE1 4.28Å; F81-F112 AromaticContact CZ-CE2 3.68Å; F81-F112 HydrophobicContact CZ-CE2 3.68Å; F81-F112 AromaticContact CZ-CG 3.68Å; F81-F112 HydrophobicContact CZ-CG 3.68Å; F81-F112 HydrophobicContact CZ-CZ 4.08Å; F81-I115 HydrophobicContact CB-CD1 3.97Å; F81-I115 HydrophobicContact CB-CG1 4.12Å; F81-I115 HydrophobicContact CD1-CD1 3.5Å; F81-I115 HydrophobicContact CD1-CG1 4.14Å; F81-I115 HydrophobicContact CE1-CD1 4.31Å; F81-I115 HydrophobicContact CG-CD1 4.04Å; F81-F126 HydrophobicContact CB-CE2 3.7Å; F81-F126 HydrophobicContact CB-CZ 4.02Å; F81-F126 HydrophobicContact CD1-CE2 4.09Å; F81-F126 AromaticContact CD2-CE2 3.72Å; F81-F126 HydrophobicContact CD2-CE2 3.72Å; F81-F126 HydrophobicContact CD2-CZ 4.21Å; F81-F126 HydrophobicContact CE2-CE2 4.34Å; F81-F126 AromaticContact CG-CE2 3.58Å; F81-F126 HydrophobicContact CG-CE2 3.58Å; F81-F126 HydrophobicContact CG-CZ 4.24Å
82P98.9Very high97.2Very high0 Ų039.8 Ų39.80%022%0.223CC..EExtended strand (participates in β ladder)trans-57.6141.9175.9-23.634.5000111.7I30 V50 E90 I97 M111 F112 K114 I115I30-P82 HydrophobicContact CD1-CG 4.4Å; V50-P82 HydrophobicContact CG2-CB 4.28Å; V50-P82 HydrophobicContact CG2-CG 4.02Å; V50-P82 WeakPolarHBondContact O-CA 3.42Å; P82-E90 HydrophobicContact CB-CG 3.78Å; P82-I97 HydrophobicContact CB-CD1 4.02Å; P82-I97 HydrophobicContact CB-CG2 4.16Å; P82-I97 HydrophobicContact CG-CG2 3.76Å; P82-M111 HydrophobicContact CG-CE 4.44Å; P82-F112 WeakPolarHBondContact CD-O 3.24Å; P82-K114 HydrophobicContact CB-CB 4.21Å; P82-K114 HydrophobicContact CB-CG 4.35Å; P82-K114 VanDerWaalsContact O-CA 3.28Å; P82-K114 WeakPolarHBondContact O-CA 3.47Å; P82-I115 PolarHBondContact O-N 2.63Å
83C98.7Very high97.4Very high0 Ų041.3 Ų41.30%023%0.23CC..  trans-146.4130.8-179.1-179.90000111.6N49 V50 Q85 E90 I115 V117N49-C83 HydrophobicContact CB-CB 4.46Å; V50-C83 PolarHBondContact O-N 3.32Å; C83-Q85 PolarHBondContact SG-N 3.22Å; C83-Q85 VanDerWaalsContact SG-N 3.44Å; C83-E90 VanDerWaalsContact O-CB 3.29Å; C83-E90 WeakPolarHBondContact O-CB 3.46Å; C83-I115 PolarHBondContact SG-O 2.88Å; C83-V117 HydrophobicContact CB-CG1 4.11Å; C83-V117 HydrophobicContact CB-CG2 4.43Å
84N98.6Very high97.8Very high49 Ų4939.5 Ų39.526%0.26222%0.216SC..  trans-100.19180-154.931.7000114.4F86 Q88 Q89 E90 K114N84-F86 VanDerWaalsContact C-N 3.31Å; N84-F86 PolarHBondContact O-N 3.22Å; N84-Q88 WeakPolarHBondContact OD1-CA 3.17Å; N84-Q88 PolarHBondContact OD1-O 3.01Å; N84-Q89 PolarHBondContact OD1-N 3.15Å; N84-E90 HydrophobicContact CB-CB 4.32Å; N84-E90 WeakPolarHBondContact CB-O 3.28Å; N84-E90 VanDerWaalsContact CG-O 3.24Å; N84-E90 WeakPolarHBondContact OD1-CA 3.48Å; N84-E90 PolarHBondContact OD1-N 2.96Å; N84-E90 PolarHBondContact OD1-O 3.37Å; N84-K114 HydrophobicContact CB-CD 4.16Å
85Q98.6Very high98.2Very high86 Ų8640.6 Ų40.640%0.40222%0.219SC..THydrogen-bonded Turntrans-75.9-18.8-174.9-66.6-178.8-74.900113.4C83 A116 T118C83-Q85 PolarHBondContact SG-N 3.22Å; C83-Q85 VanDerWaalsContact SG-N 3.44Å; Q85-A116 VanDerWaalsContact OE1-CA 3.25Å; Q85-T118 HydrophobicContact CB-CG2 4.49Å; Q85-T118 PolarHBondContact NE2-O 3.37Å; Q85-T118 VanDerWaalsContact OE1-N 3.11Å
86F98.3Very high98.4Very high17 Ų1743 Ų438%0.07523%0.23CC..THydrogen-bonded Turntrans-109.6106-174.1-49.8-69.2000110.4N49 N84 Q88 Q89 V117 T118 P137 T138 W139 N140N49-F86 WeakPolarHBondContact ND2-CE2 3.47Å; N84-F86 VanDerWaalsContact C-N 3.31Å; N84-F86 PolarHBondContact O-N 3.22Å; F86-Q88 PolarHBondContact O-N 3.01Å; F86-Q89 PolarHBondContact O-N 3.3Å; F86-V117 HydrophobicContact CE2-CG2 3.51Å; F86-V117 HydrophobicContact CZ-CG2 3.7Å; F86-T118 HydrophobicContact CE1-CG2 4.1Å; F86-T118 HydrophobicContact CZ-CG2 3.94Å; F86-P137 WeakPolarHBondContact CE1-O 3.3Å; F86-P137 HydrophobicContact CE2-CB 4.35Å; F86-P137 HydrophobicContact CZ-CB 3.91Å; F86-P137 WeakPolarHBondContact CZ-O 3.44Å; F86-T138 VanDerWaalsContact CE1-C 3.48Å; F86-W139 HydrophobicContact CB-CD2 4.33Å; F86-W139 HydrophobicContact CB-CE3 4.07Å; F86-W139 HydrophobicContact CB-CZ3 4.37Å; F86-W139 VanDerWaalsContact CD2-C 3.47Å; F86-W139 WeakPolarHBondContact CE2-O 3.38Å; F86-N140 WeakPolarHBondContact CD2-OD1 3.45Å; F86-N140 PolarHBondContact O-ND2 2.78Å
87G96.7Very high98.5Very high56 Ų5643 Ų4358%0.57723%0.23SC*.THydrogen-bonded Turntrans63.212179.800000115.1Q89G87-Q89 PolarHBondContact O-N 3.05Å
88Q97.6Very high98.5Very high148 Ų14843.3 Ų43.369%0.69223%0.231SC*.THydrogen-bonded Turntrans53.536.4-173.2-57.1-177.49.100113.6N84 F86 E90N84-Q88 WeakPolarHBondContact OD1-CA 3.17Å; N84-Q88 PolarHBondContact OD1-O 3.01Å; F86-Q88 PolarHBondContact O-N 3.01Å; Q88-E90 VanDerWaalsContact C-N 3.29Å; Q88-E90 PolarHBondContact O-N 2.91Å
89Q98Very high98.5Very high39 Ų3945.1 Ų45.118%0.18224%0.243CC..  trans-86.913.7-172.9-64.8-177.5-35.400114.6A51 S52 E53 C54 N84 F86 G87 N140A51-Q89 HydrophobicContact CB-CB 3.98Å; S52-Q89 PolarHBondContact N-O 2.85Å; S52-Q89 VanDerWaalsContact N-O 3.17Å; E53-Q89 HydrophobicContact CB-CB 4.23Å; E53-Q89 PolarHBondContact N-O 3.24Å; E53-Q89 WeakPolarHBondContact O-CG 3.45Å; E53-Q89 PolarHBondContact O-NE2 3.48Å; C54-Q89 HydrophobicContact CB-CB 4.35Å; C54-Q89 PolarHBondContact SG-OE1 2.99Å; N84-Q89 PolarHBondContact OD1-N 3.15Å; F86-Q89 PolarHBondContact O-N 3.3Å; G87-Q89 PolarHBondContact O-N 3.05Å; Q89-N140 PolarHBondContact OE1-ND2 3.39Å
90E98.4Very high98.4Very high0 Ų047.6 Ų47.60%025%0.254CS..  trans-14056.6174.3-163.977.8-78.800109.6A51 S52 P82 C83 N84 Q88 D92 I97 K114A51-E90 WeakPolarHBondContact CA-OE2 3.42Å; A51-E90 HydrophobicContact CB-CB 4.45Å; A51-E90 PolarHBondContact N-OE2 2.89Å; S52-E90 WeakPolarHBondContact CB-OE1 3.28Å; S52-E90 VanDerWaalsContact N-CD 3.34Å; S52-E90 PolarHBondContact N-OE1 3.47Å; S52-E90 PolarHBondContact N-OE2 3.46Å; S52-E90 PolarHBondContact OG-OE1 2.84Å; P82-E90 HydrophobicContact CB-CG 3.78Å; C83-E90 VanDerWaalsContact O-CB 3.29Å; C83-E90 WeakPolarHBondContact O-CB 3.46Å; N84-E90 HydrophobicContact CB-CB 4.32Å; N84-E90 WeakPolarHBondContact CB-O 3.28Å; N84-E90 VanDerWaalsContact CG-O 3.24Å; N84-E90 WeakPolarHBondContact OD1-CA 3.48Å; N84-E90 PolarHBondContact OD1-N 2.96Å; N84-E90 PolarHBondContact OD1-O 3.37Å; Q88-E90 VanDerWaalsContact C-N 3.29Å; Q88-E90 PolarHBondContact O-N 2.91Å; E90-D92 VanDerWaalsContact C-N 3.32Å; E90-D92 PolarHBondContact O-N 2.93Å; E90-I97 HydrophobicContact CG-CD1 3.66Å; E90-I97 HydrophobicContact CG-CG1 4.24Å; E90-K114 HydrophobicContact CB-CD 4.43Å; E90-K114 HydrophobicContact CG-CD 3.99Å; E90-K114 VanDerWaalsContact O-CD 3.29Å; E90-K114 WeakPolarHBondContact O-CD 3.46Å; E90-K114 PolarHBondContact O-NZ 3.1Å
91P98.3Very high98.4Very high61 Ų6147.6 Ų47.640%0.39625%0.254SS..  trans-70.4-30.9-171.729.6-34.9000112.4K114P91-K114 VanDerWaalsContact C-NZ 3.32Å; P91-K114 PolarHBondContact O-NZ 2.7Å
92D98.3Very high98.4Very high60 Ų6051.9 Ų51.932%0.32127%0.271SS..SBendtrans-64.9164.8-170-72.1-18.3000115.5E90 E96 I97 K114E90-D92 VanDerWaalsContact C-N 3.32Å; E90-D92 PolarHBondContact O-N 2.93Å; D92-E96 HydrophobicContact CB-CB 3.82Å; D92-I97 HydrophobicContact CB-CG1 4.04Å; D92-I97 WeakPolarHBondContact O-CD1 3.21Å; D92-K114 PolarHBondContact O-NZ 2.97Å
93S98.6Very high98.4Very high54 Ų5461.1 Ų61.138%0.37831%0.305SS..  trans-70.415917471.80000112.1K95 E96 I97S93-K95 PolarHBondContact O-N 3.44Å; S93-K95 VanDerWaalsContact O-N 3.09Å; S93-E96 VanDerWaalsContact CB-OE2 3.24Å; S93-E96 WeakPolarHBondContact CB-OE2 3.32Å; S93-E96 PolarHBondContact N-OE2 2.88Å; S93-E96 PolarHBondContact O-N 3.47Å; S93-E96 PolarHBondContact OG-N 3.05Å; S93-E96 PolarHBondContact OG-OE2 3.09Å; S93-I97 VanDerWaalsContact O-CG1 3.29Å; S93-I97 WeakPolarHBondContact O-CG1 3.49Å; S93-I97 PolarHBondContact O-N 2.94Å
94N98.8Very high98.3Very high46 Ų4664.3 Ų64.325%0.24633%0.325CS..Hα-helixtrans-52.7-35.6175.7-71.2-25.3000113.2I30 E98 S113 K114I30-N94 HydrophobicContact CG1-CB 3.93Å; I30-N94 VanDerWaalsContact CG1-O 3.3Å; I30-N94 WeakPolarHBondContact CG1-O 3.45Å; I30-N94 WeakPolarHBondContact O-CB 3.46Å; N94-E98 WeakPolarHBondContact O-CB 3.42Å; N94-E98 PolarHBondContact O-N 2.92Å; N94-S113 WeakPolarHBondContact ND2-CB 3.29Å; N94-S113 PolarHBondContact ND2-OG 3.06Å; N94-S113 VanDerWaalsContact ND2-OG 3.08Å; N94-K114 PolarHBondContact OD1-N 2.97Å
95K98.6Very high98.3Very high170 Ų17063.1 Ų63.174%0.73932%0.317SS*.Hα-helixtrans-67.6-43.6179.4-178.2-177.4175.9-173.80111.5S93 S99S93-K95 PolarHBondContact O-N 3.44Å; S93-K95 VanDerWaalsContact O-N 3.09Å; K95-S99 VanDerWaalsContact O-CB 3.3Å; K95-S99 WeakPolarHBondContact O-CB 3.41Å; K95-S99 PolarHBondContact O-N 3.17Å
96E98.7Very high98.3Very high100 Ų10062.9 Ų62.947%0.46733%0.325SS..Hα-helixtrans-67.4-43.5177.9-75.415515700110.9D92 S93 E98 S99 F100D92-E96 HydrophobicContact CB-CB 3.82Å; S93-E96 VanDerWaalsContact CB-OE2 3.24Å; S93-E96 WeakPolarHBondContact CB-OE2 3.32Å; S93-E96 PolarHBondContact N-OE2 2.88Å; S93-E96 PolarHBondContact O-N 3.47Å; S93-E96 PolarHBondContact OG-N 3.05Å; S93-E96 PolarHBondContact OG-OE2 3.09Å; E96-E98 PolarHBondContact O-N 2.64Å; E96-S99 CarbonylContact O-C 3.54Å; E96-S99 WeakPolarHBondContact O-CB 3.43Å; E96-S99 PolarHBondContact O-N 2.81Å; E96-S99 VanDerWaalsContact O-N 3.12Å; E96-F100 WeakPolarHBondContact O-CB 3.46Å; E96-F100 PolarHBondContact O-N 2.83Å
97I98.8Very high98.3Very high0 Ų062.2 Ų62.20%032%0.322CS..Hα-helixtrans-59.5-48.7175.5-62.7163.3000111I30 P82 E90 D92 S93 S99 F100 A101 M111 K114I30-I97 HydrophobicContact CD1-CB 4.32Å; I30-I97 HydrophobicContact CD1-CG2 4.05Å; P82-I97 HydrophobicContact CB-CD1 4.02Å; P82-I97 HydrophobicContact CB-CG2 4.16Å; P82-I97 HydrophobicContact CG-CG2 3.76Å; E90-I97 HydrophobicContact CG-CD1 3.66Å; E90-I97 HydrophobicContact CG-CG1 4.24Å; D92-I97 HydrophobicContact CB-CG1 4.04Å; D92-I97 WeakPolarHBondContact O-CD1 3.21Å; S93-I97 VanDerWaalsContact O-CG1 3.29Å; S93-I97 WeakPolarHBondContact O-CG1 3.49Å; S93-I97 PolarHBondContact O-N 2.94Å; I97-S99 VanDerWaalsContact C-N 3.27Å; I97-S99 PolarHBondContact O-N 3.22Å; I97-F100 PolarHBondContact O-N 3.35Å; I97-A101 WeakPolarHBondContact O-CB 3.41Å; I97-A101 PolarHBondContact O-N 2.9Å; I97-M111 HydrophobicContact CG2-CE 3.9Å; I97-K114 HydrophobicContact CD1-CD 4.16Å
98E98.7Very high98.4Very high23 Ų2363 Ų6311%0.10732%0.319CS..Hα-helixtrans-58.7-43.7175.5-175.2176.7-165.300110.4I30 R31 N94 E96 R102I30-E98 HydrophobicContact CD1-CB 3.73Å; I30-E98 HydrophobicContact CG1-CB 3.99Å; I30-E98 HydrophobicContact CG2-CB 4.09Å; I30-E98 HydrophobicContact CG2-CG 3.99Å; R31-E98 WeakPolarHBondContact CG-OE2 3.39Å; R31-E98 IonicContact CZ-OE1 3.26Å; R31-E98 IonicContact NE-OE1 3.55Å; R31-E98 PolarHBondContact NE-OE1 2.82Å; R31-E98 VanDerWaalsContact NE-OE1 3.11Å; R31-E98 IonicContact NE-OE2 2.8Å; R31-E98 PolarHBondContact NE-OE2 2.8Å; R31-E98 IonicContact NH2-OE1 2.82Å; R31-E98 PolarHBondContact NH2-OE1 2.9Å; N94-E98 WeakPolarHBondContact O-CB 3.42Å; N94-E98 PolarHBondContact O-N 2.92Å; E96-E98 PolarHBondContact O-N 2.64Å; E98-R102 HydrophobicContact CG-CG 4.36Å; E98-R102 WeakPolarHBondContact O-CB 3.44Å; E98-R102 VanDerWaalsContact O-CG 3.26Å; E98-R102 WeakPolarHBondContact O-CG 3.22Å; E98-R102 PolarHBondContact O-N 3.39Å; E98-R102 IonicContact OE1-CZ 2.82Å; E98-R102 VanDerWaalsContact OE1-CZ 3.27Å; E98-R102 IonicContact OE1-NE 2.82Å; E98-R102 PolarHBondContact OE1-NE 3.43Å; E98-R102 IonicContact OE1-NH2 3.73Å; E98-R102 PolarHBondContact OE1-NH2 2.92Å
99S98.6Very high98.4Very high38 Ų3856.1 Ų56.127%0.26629%0.286SS..Hα-helixtrans-67.6-36.5-178.6-165.10000112.7K95 E96 I97 R103K95-S99 VanDerWaalsContact O-CB 3.3Å; K95-S99 WeakPolarHBondContact O-CB 3.41Å; K95-S99 PolarHBondContact O-N 3.17Å; E96-S99 CarbonylContact O-C 3.54Å; E96-S99 WeakPolarHBondContact O-CB 3.43Å; E96-S99 PolarHBondContact O-N 2.81Å; E96-S99 VanDerWaalsContact O-N 3.12Å; I97-S99 VanDerWaalsContact C-N 3.27Å; I97-S99 PolarHBondContact O-N 3.22Å; S99-R103 WeakPolarHBondContact O-CB 3.34Å; S99-R103 WeakPolarHBondContact O-CG 3.3Å; S99-R103 PolarHBondContact O-N 2.98Å; S99-R103 PolarHBondContact O-NE 3.16Å; S99-R103 PolarHBondContact OG-NE 2.87Å; S99-R103 PolarHBondContact OG-NH2 3.07Å; S99-R103 VanDerWaalsContact OG-NH2 3.16Å
100F98.6Very high98.4Very high52 Ų5255.7 Ų55.723%0.22829%0.287CS..Hα-helixtrans-63.7-56.7174.2167.8-100.9000110.2S52 T57 Y61 E96 I97 R102 R103 T104 Y105S52-F100 VanDerWaalsContact OG-CD1 3.27Å; S52-F100 WeakPolarHBondContact OG-CD1 3.2Å; T57-F100 HydrophobicContact CG2-CE1 3.88Å; T57-F100 HydrophobicContact CG2-CZ 3.91Å; Y61-F100 HydrophobicContact CE2-CE1 4.42Å; E96-F100 WeakPolarHBondContact O-CB 3.46Å; E96-F100 PolarHBondContact O-N 2.83Å; I97-F100 PolarHBondContact O-N 3.35Å; F100-R102 VanDerWaalsContact C-N 3.27Å; F100-R102 PolarHBondContact O-N 2.97Å; F100-R103 PolarHBondContact O-N 2.86Å; F100-T104 HydrophobicContact CE2-CG2 4.42Å; F100-T104 VanDerWaalsContact O-CB 3.31Å; F100-T104 WeakPolarHBondContact O-CB 3.3Å; F100-T104 PolarHBondContact O-N 2.96Å; F100-T104 PolarHBondContact O-OG1 2.84Å; F100-T104 VanDerWaalsContact O-OG1 3.08Å; F100-Y105 HydrophobicContact CE1-CD2 4.36Å; F100-Y105 AromaticContact CE1-CE2 3.67Å; F100-Y105 HydrophobicContact CE1-CE2 3.67Å; F100-Y105 HydrophobicContact CE2-CE2 4.49Å; F100-Y105 AromaticContact CZ-CE2 3.63Å; F100-Y105 HydrophobicContact CZ-CE2 3.63Å
101A98.4Very high98.4Very high0 Ų056 Ų560%029%0.289CS..Hα-helixtrans-57.4-40.7-177.800000112.2Y61 I97 Y105 S106 V107 M111Y61-A101 HydrophobicContact CE1-CB 3.9Å; I97-A101 WeakPolarHBondContact O-CB 3.41Å; I97-A101 PolarHBondContact O-N 2.9Å; A101-Y105 WeakPolarHBondContact O-CB 3.31Å; A101-Y105 PolarHBondContact O-N 3.4Å; A101-Y105 VanDerWaalsContact O-N 3.16Å; A101-S106 PolarHBondContact O-N 3.08Å; A101-V107 HydrophobicContact CB-CB 4.14Å; A101-V107 HydrophobicContact CB-CG2 3.98Å; A101-V107 WeakPolarHBondContact O-CG2 3.48Å; A101-V107 PolarHBondContact O-N 3.35Å; A101-M111 HydrophobicContact CB-CE 3.72Å; A101-M111 HydrophobicContact CB-SD 3.56Å; A101-M111 VanDerWaalsContact CB-SD 3.56Å
102R98.2Very high98.5Very high91 Ų9153.2 Ų53.234%0.34327%0.27SS..Hα-helixtrans-73.5-44.8178.2-69.1-174.2-171.9-65.8-1.5113.4E98 F100 S106 V107E98-R102 HydrophobicContact CG-CG 4.36Å; E98-R102 WeakPolarHBondContact O-CB 3.44Å; E98-R102 VanDerWaalsContact O-CG 3.26Å; E98-R102 WeakPolarHBondContact O-CG 3.22Å; E98-R102 PolarHBondContact O-N 3.39Å; E98-R102 IonicContact OE1-CZ 2.82Å; E98-R102 VanDerWaalsContact OE1-CZ 3.27Å; E98-R102 IonicContact OE1-NE 2.82Å; E98-R102 PolarHBondContact OE1-NE 3.43Å; E98-R102 IonicContact OE1-NH2 3.73Å; E98-R102 PolarHBondContact OE1-NH2 2.92Å; F100-R102 VanDerWaalsContact C-N 3.27Å; F100-R102 PolarHBondContact O-N 2.97Å; R102-S106 WeakPolarHBondContact O-CA 3.43Å; R102-S106 PolarHBondContact O-N 2.97Å; R102-V107 PolarHBondContact NH1-O 2.95Å
103R98.3Very high98.5Very high194 Ų19451 Ų5173%0.73226%0.259SS*.Hα-helixtrans-72-39.5-177.1-71.5-175.6-64.4-162.60.2112.3S99 F100S99-R103 WeakPolarHBondContact O-CB 3.34Å; S99-R103 WeakPolarHBondContact O-CG 3.3Å; S99-R103 PolarHBondContact O-N 2.98Å; S99-R103 PolarHBondContact O-NE 3.16Å; S99-R103 PolarHBondContact OG-NE 2.87Å; S99-R103 PolarHBondContact OG-NH2 3.07Å; S99-R103 VanDerWaalsContact OG-NH2 3.16Å; F100-R103 PolarHBondContact O-N 2.86Å
104T98.3Very high98.5Very high66 Ų6651.6 Ų51.641%0.40526%0.255SS..Hα-helixtrans-83.5-40.7-174.5-50.70000112F100F100-T104 HydrophobicContact CE2-CG2 4.42Å; F100-T104 VanDerWaalsContact O-CB 3.31Å; F100-T104 WeakPolarHBondContact O-CB 3.3Å; F100-T104 PolarHBondContact O-N 2.96Å; F100-T104 PolarHBondContact O-OG1 2.84Å; F100-T104 VanDerWaalsContact O-OG1 3.08Å
105Y98.3Very high98.5Very high25 Ų2550.9 Ų50.910%0.09825%0.251CS..Hα-helixtrans-119.1-2-170.4-56.4-69.5000114.1T57 D58 Y61 R62 F100 A101 V107T57-Y105 HydrophobicContact CG2-CE2 4.24Å; D58-Y105 WeakPolarHBondContact CA-OH 3.21Å; D58-Y105 VanDerWaalsContact OD1-CE1 3.3Å; D58-Y105 WeakPolarHBondContact OD1-CE1 3.2Å; D58-Y105 PolarHBondContact OD1-OH 2.81Å; Y61-Y105 HydrophobicContact CD1-CD2 4.11Å; Y61-Y105 HydrophobicContact CD2-CD2 4.25Å; Y61-Y105 HydrophobicContact CD2-CE2 4.05Å; Y61-Y105 AromaticContact CG-CD2 3.74Å; Y61-Y105 HydrophobicContact CG-CD2 3.74Å; Y61-Y105 AromaticContact CG-CE2 3.97Å; Y61-Y105 HydrophobicContact CG-CE2 3.97Å; Y61-Y105 HydrophobicContact CG-CG 4.25Å; R62-Y105 HydrophobicContact CG-CD1 3.85Å; R62-Y105 HydrophobicContact CG-CE1 4.05Å; F100-Y105 HydrophobicContact CE1-CD2 4.36Å; F100-Y105 AromaticContact CE1-CE2 3.67Å; F100-Y105 HydrophobicContact CE1-CE2 3.67Å; F100-Y105 HydrophobicContact CE2-CE2 4.49Å; F100-Y105 AromaticContact CZ-CE2 3.63Å; F100-Y105 HydrophobicContact CZ-CE2 3.63Å; A101-Y105 WeakPolarHBondContact O-CB 3.31Å; A101-Y105 PolarHBondContact O-N 3.4Å; A101-Y105 VanDerWaalsContact O-N 3.16Å; Y105-V107 PolarHBondContact O-N 3.38Å
106S98.3Very high98.5Very high81 Ų8144.3 Ų44.357%0.56623%0.228SC*.  trans55.138.4-174.8-57.80000112.6Q65 A101 R102 S108Q65-S106 PolarHBondContact NE2-O 3.48Å; A101-S106 PolarHBondContact O-N 3.08Å; R102-S106 WeakPolarHBondContact O-CA 3.43Å; R102-S106 PolarHBondContact O-N 2.97Å; S106-S108 PolarHBondContact O-N 2.83Å
107V97.9Very high98.5Very high3 Ų339.6 Ų39.62%0.01821%0.206CC..  trans-54.9124.5-179.4165.10000111.1Y61 Q65 A101 R102 Y105 F109 M111Y61-V107 HydrophobicContact CD1-CG2 3.73Å; Y61-V107 HydrophobicContact CE1-CG2 4.06Å; Q65-V107 VanDerWaalsContact OE1-CA 3.28Å; A101-V107 HydrophobicContact CB-CB 4.14Å; A101-V107 HydrophobicContact CB-CG2 3.98Å; A101-V107 WeakPolarHBondContact O-CG2 3.48Å; A101-V107 PolarHBondContact O-N 3.35Å; R102-V107 PolarHBondContact NH1-O 2.95Å; Y105-V107 PolarHBondContact O-N 3.38Å; V107-F109 HydrophobicContact CB-CE1 4.27Å; V107-F109 HydrophobicContact CB-CE2 4.42Å; V107-F109 HydrophobicContact CB-CZ 4.14Å; V107-F109 HydrophobicContact CG1-CD1 3.87Å; V107-F109 HydrophobicContact CG1-CD2 3.5Å; V107-F109 VanDerWaalsContact CG1-CD2 3.5Å; V107-F109 HydrophobicContact CG1-CE1 3.75Å; V107-F109 HydrophobicContact CG1-CE2 3.35Å; V107-F109 HydrophobicContact CG1-CG 3.75Å; V107-F109 HydrophobicContact CG1-CZ 3.5Å; V107-F109 VanDerWaalsContact CG1-CZ 3.5Å; V107-F109 HydrophobicContact CG2-CE1 3.73Å; V107-F109 HydrophobicContact CG2-CE2 4.15Å; V107-F109 HydrophobicContact CG2-CZ 3.49Å; V107-F109 VanDerWaalsContact CG2-CZ 3.49Å; V107-M111 HydrophobicContact CG1-CG 4.22Å; V107-M111 HydrophobicContact CG1-SD 4.05Å
108S97.9Very high98.4Very high72 Ų7241.1 Ų41.150%0.50322%0.216SC..  trans-112.1-10.2176.7680000113.3Q65 S106Q65-S108 PolarHBondContact NE2-OG 2.84Å; Q65-S108 PolarHBondContact OE1-OG 2.83Å; S106-S108 PolarHBondContact O-N 2.83Å
109F98.4Very high98.3Very high3 Ų342 Ų421%0.01323%0.23CC..SBendtrans-76.6158.7177.749.7-104.2000113.1Y61 L64 Q65 Q68 V78 A80 V107 M111Y61-F109 AromaticContact CD1-CZ 4Å; Y61-F109 HydrophobicContact CD1-CZ 4Å; Y61-F109 HydrophobicContact CE1-CZ 4.13Å; L64-F109 HydrophobicContact CB-CE1 3.94Å; L64-F109 HydrophobicContact CB-CZ 4.27Å; Q65-F109 HydrophobicContact CB-CE1 4.21Å; Q68-F109 HydrophobicContact CB-CB 4.27Å; Q68-F109 HydrophobicContact CB-CD1 3.98Å; Q68-F109 HydrophobicContact CG-CB 3.77Å; Q68-F109 HydrophobicContact CG-CD1 4.27Å; V78-F109 HydrophobicContact CB-CB 3.73Å; V78-F109 HydrophobicContact CB-CD1 3.97Å; V78-F109 HydrophobicContact CB-CD2 4.16Å; V78-F109 HydrophobicContact CB-CG 3.71Å; V78-F109 HydrophobicContact CG1-CB 4.39Å; V78-F109 HydrophobicContact CG1-CD1 4.15Å; V78-F109 HydrophobicContact CG1-CD2 3.87Å; V78-F109 HydrophobicContact CG1-CE1 4.36Å; V78-F109 HydrophobicContact CG1-CE2 4.11Å; V78-F109 HydrophobicContact CG1-CG 3.9Å; V78-F109 HydrophobicContact CG1-CZ 4.33Å; V78-F109 HydrophobicContact CG2-CD1 4.38Å; A80-F109 HydrophobicContact CB-CD2 3.96Å; A80-F109 HydrophobicContact CB-CE2 3.55Å; V107-F109 HydrophobicContact CB-CE1 4.27Å; V107-F109 HydrophobicContact CB-CE2 4.42Å; V107-F109 HydrophobicContact CB-CZ 4.14Å; V107-F109 HydrophobicContact CG1-CD1 3.87Å; V107-F109 HydrophobicContact CG1-CD2 3.5Å; V107-F109 VanDerWaalsContact CG1-CD2 3.5Å; V107-F109 HydrophobicContact CG1-CE1 3.75Å; V107-F109 HydrophobicContact CG1-CE2 3.35Å; V107-F109 HydrophobicContact CG1-CG 3.75Å; V107-F109 HydrophobicContact CG1-CZ 3.5Å; V107-F109 VanDerWaalsContact CG1-CZ 3.5Å; V107-F109 HydrophobicContact CG2-CE1 3.73Å; V107-F109 HydrophobicContact CG2-CE2 4.15Å; V107-F109 HydrophobicContact CG2-CZ 3.49Å; V107-F109 VanDerWaalsContact CG2-CZ 3.49Å; F109-M111 HydrophobicContact CD2-CG 4.29Å; F109-M111 HydrophobicContact CE2-CG 4.24Å; F109-M111 PolarHBondContact O-N 2.9Å
110P98.3Very high98.2Very high31 Ų3146.9 Ų46.920%0.20126%0.259CS..  trans-55.8128.5171.6-25.832.2000113.7Y40 V78 L79 A80 F112Y40-P110 HydrophobicContact CE1-CG 3.84Å; Y40-P110 WeakPolarHBondContact OH-CB 3.39Å; Y40-P110 WeakPolarHBondContact OH-CG 3.19Å; V78-P110 VanDerWaalsContact O-CD 3.31Å; V78-P110 WeakPolarHBondContact O-CD 3.26Å; L79-P110 HydrophobicContact CD2-CB 3.97Å; L79-P110 HydrophobicContact CD2-CG 4.02Å; A80-P110 PolarHBondContact N-O 3.41Å; A80-P110 VanDerWaalsContact N-O 3.07Å; P110-F112 HydrophobicContact CB-CE2 4.25Å
111M98.8Very high98Very high7 Ų747.2 Ų47.23%0.03428%0.277CS..BIsolated β-bridgetrans-114.5144.8168-60.3-17576.900110.3I30 Y61 A80 P82 I97 A101 V107 F109I30-M111 HydrophobicContact CB-CB 3.95Å; I30-M111 WeakPolarHBondContact CB-O 3.48Å; I30-M111 HydrophobicContact CD1-CB 3.7Å; I30-M111 HydrophobicContact CD1-CE 3.86Å; I30-M111 HydrophobicContact CD1-SD 4.09Å; I30-M111 HydrophobicContact CG1-CB 4.45Å; I30-M111 HydrophobicContact CG2-CB 3.99Å; I30-M111 PolarHBondContact N-O 3.41Å; Y61-M111 HydrophobicContact CE1-CE 4.49Å; A80-M111 HydrophobicContact CB-CG 4.26Å; A80-M111 WeakPolarHBondContact O-CA 3.16Å; P82-M111 HydrophobicContact CG-CE 4.44Å; I97-M111 HydrophobicContact CG2-CE 3.9Å; A101-M111 HydrophobicContact CB-CE 3.72Å; A101-M111 HydrophobicContact CB-SD 3.56Å; A101-M111 VanDerWaalsContact CB-SD 3.56Å; V107-M111 HydrophobicContact CG1-CG 4.22Å; V107-M111 HydrophobicContact CG1-SD 4.05Å; F109-M111 HydrophobicContact CD2-CG 4.29Å; F109-M111 HydrophobicContact CE2-CG 4.24Å; F109-M111 PolarHBondContact O-N 2.9Å
112F98.9Very high98.1Very high1 Ų147.4 Ų47.40%0.00428%0.279CS..BIsolated β-bridgetrans-107.7168.4178.8-64.6-91.6000111.6A27 V28 V35 L37 Y40 L79 A80 F81 P82 P110A27-F112 HydrophobicContact CB-CD1 3.5Å; A27-F112 HydrophobicContact CB-CE1 3.75Å; A27-F112 HydrophobicContact CB-CG 4.39Å; V28-F112 WeakPolarHBondContact O-CB 3.35Å; V35-F112 HydrophobicContact CG2-CD1 4.3Å; V35-F112 HydrophobicContact CG2-CE1 3.62Å; L37-F112 HydrophobicContact CD2-CE1 3.71Å; L37-F112 HydrophobicContact CD2-CZ 3.6Å; Y40-F112 AromaticContact CE2-CZ 3.94Å; Y40-F112 HydrophobicContact CE2-CZ 3.94Å; L79-F112 HydrophobicContact CB-CE2 3.94Å; L79-F112 HydrophobicContact CD2-CE2 4.05Å; L79-F112 HydrophobicContact CD2-CZ 4.36Å; L79-F112 HydrophobicContact CG-CE2 4.48Å; A80-F112 WeakPolarHBondContact O-CD2 3.44Å; A80-F112 PolarHBondContact O-N 3.3Å; F81-F112 HydrophobicContact CD1-CB 3.5Å; F81-F112 VanDerWaalsContact CD1-CB 3.5Å; F81-F112 HydrophobicContact CD1-CD2 4.04Å; F81-F112 AromaticContact CD1-CG 3.83Å; F81-F112 HydrophobicContact CD1-CG 3.83Å; F81-F112 HydrophobicContact CD2-CD2 4.03Å; F81-F112 HydrophobicContact CE1-CB 3.6Å; F81-F112 AromaticContact CE1-CD1 3.9Å; F81-F112 HydrophobicContact CE1-CD1 3.9Å; F81-F112 AromaticContact CE1-CD2 3.66Å; F81-F112 HydrophobicContact CE1-CD2 3.66Å; F81-F112 HydrophobicContact CE1-CE1 4.48Å; F81-F112 HydrophobicContact CE1-CE2 4.3Å; F81-F112 AromaticContact CE1-CG 3.42Å; F81-F112 HydrophobicContact CE1-CG 3.42Å; F81-F112 VanDerWaalsContact CE1-CG 3.42Å; F81-F112 AromaticContact CE2-CD2 3.64Å; F81-F112 HydrophobicContact CE2-CD2 3.64Å; F81-F112 AromaticContact CE2-CE2 3.85Å; F81-F112 HydrophobicContact CE2-CE2 3.85Å; F81-F112 HydrophobicContact CE2-CG 4.29Å; F81-F112 HydrophobicContact CG-CB 4.15Å; F81-F112 HydrophobicContact CG-CD2 4.22Å; F81-F112 HydrophobicContact CG-CG 4.43Å; F81-F112 HydrophobicContact CZ-CB 4.3Å; F81-F112 HydrophobicContact CZ-CD1 4.12Å; F81-F112 AromaticContact CZ-CD2 3.44Å; F81-F112 HydrophobicContact CZ-CD2 3.44Å; F81-F112 VanDerWaalsContact CZ-CD2 3.44Å; F81-F112 HydrophobicContact CZ-CE1 4.28Å; F81-F112 AromaticContact CZ-CE2 3.68Å; F81-F112 HydrophobicContact CZ-CE2 3.68Å; F81-F112 AromaticContact CZ-CG 3.68Å; F81-F112 HydrophobicContact CZ-CG 3.68Å; F81-F112 HydrophobicContact CZ-CZ 4.08Å; P82-F112 WeakPolarHBondContact CD-O 3.24Å; P110-F112 HydrophobicContact CB-CE2 4.25Å
113S98.8Very high98.1Very high14 Ų1444.9 Ų44.910%0.09827%0.271CS..  trans-62.4152170.6-75.20000110.1V28 N29 N94 I115V28-S113 WeakPolarHBondContact CG1-OG 3.37Å; V28-S113 PolarHBondContact O-N 3.39Å; N29-S113 PolarHBondContact O-N 2.91Å; N29-S113 PolarHBondContact O-OG 3.38Å; N94-S113 WeakPolarHBondContact ND2-CB 3.29Å; N94-S113 PolarHBondContact ND2-OG 3.06Å; N94-S113 VanDerWaalsContact ND2-OG 3.08Å; S113-I115 PolarHBondContact O-N 3.4Å
114K98.8Very high98.1Very high67 Ų6739.2 Ų39.229%0.29126%0.259SS..  trans-56131172.9-170.8158.473.4-176.10110.9P82 N84 E90 P91 D92 N94 I97P82-K114 HydrophobicContact CB-CB 4.21Å; P82-K114 HydrophobicContact CB-CG 4.35Å; P82-K114 VanDerWaalsContact O-CA 3.28Å; P82-K114 WeakPolarHBondContact O-CA 3.47Å; N84-K114 HydrophobicContact CB-CD 4.16Å; E90-K114 HydrophobicContact CB-CD 4.43Å; E90-K114 HydrophobicContact CG-CD 3.99Å; E90-K114 VanDerWaalsContact O-CD 3.29Å; E90-K114 WeakPolarHBondContact O-CD 3.46Å; E90-K114 PolarHBondContact O-NZ 3.1Å; P91-K114 VanDerWaalsContact C-NZ 3.32Å; P91-K114 PolarHBondContact O-NZ 2.7Å; D92-K114 PolarHBondContact O-NZ 2.97Å; N94-K114 PolarHBondContact OD1-N 2.97Å; I97-K114 HydrophobicContact CD1-CD 4.16Å
115I98.7Very high98.1Very high31 Ų3136 Ų3616%0.15924%0.24CC..  trans-135.5163.1-178.156.7162.6000111.7F81 P82 C83 S113 V117 H123 F126F81-I115 HydrophobicContact CB-CD1 3.97Å; F81-I115 HydrophobicContact CB-CG1 4.12Å; F81-I115 HydrophobicContact CD1-CD1 3.5Å; F81-I115 HydrophobicContact CD1-CG1 4.14Å; F81-I115 HydrophobicContact CE1-CD1 4.31Å; F81-I115 HydrophobicContact CG-CD1 4.04Å; P82-I115 PolarHBondContact O-N 2.63Å; C83-I115 PolarHBondContact SG-O 2.88Å; S113-I115 PolarHBondContact O-N 3.4Å; I115-V117 HydrophobicContact CD1-CG1 3.99Å; I115-V117 HydrophobicContact CG1-CG1 4.05Å; I115-H123 HydrophobicContact CB-CB 4.26Å; I115-H123 HydrophobicContact CD1-CB 3.63Å; I115-H123 HydrophobicContact CG2-CB 4.47Å; I115-F126 HydrophobicContact CD1-CD2 3.53Å; I115-F126 HydrophobicContact CD1-CE2 3.72Å; I115-F126 HydrophobicContact CD1-CG 4.48Å
116A98.7Very high98.1Very high31 Ų3134.9 Ų34.926%0.25624%0.235SC..  trans-81139.715900000109.8Q85 A122 H123Q85-A116 VanDerWaalsContact OE1-CA 3.25Å; A116-A122 WeakPolarHBondContact O-CA 3.44Å; A116-H123 PolarHBondContact O-N 3.21Å
117V98.6Very high98.1Very high1 Ų134.8 Ų34.81%0.00623%0.225CC..  trans-117.7-14.2-178.7-56.10000113.4N49 C83 F86 I115 F126 P137N49-V117 HydrophobicContact CB-CG1 4.05Å; N49-V117 HydrophobicContact CB-CG2 4.45Å; C83-V117 HydrophobicContact CB-CG1 4.11Å; C83-V117 HydrophobicContact CB-CG2 4.43Å; F86-V117 HydrophobicContact CE2-CG2 3.51Å; F86-V117 HydrophobicContact CZ-CG2 3.7Å; I115-V117 HydrophobicContact CD1-CG1 3.99Å; I115-V117 HydrophobicContact CG1-CG1 4.05Å; V117-F126 HydrophobicContact CB-CB 4.22Å; V117-F126 HydrophobicContact CB-CD1 3.51Å; V117-F126 HydrophobicContact CB-CD2 4.48Å; V117-F126 HydrophobicContact CB-CE1 3.91Å; V117-F126 HydrophobicContact CB-CG 3.81Å; V117-F126 HydrophobicContact CG1-CD1 3.7Å; V117-F126 HydrophobicContact CG1-CD2 3.96Å; V117-F126 HydrophobicContact CG1-CE1 3.73Å; V117-F126 HydrophobicContact CG1-CE2 4.02Å; V117-F126 HydrophobicContact CG1-CG 3.8Å; V117-F126 HydrophobicContact CG1-CZ 3.89Å; V117-P137 HydrophobicContact CB-CG 4.32Å; V117-P137 HydrophobicContact CG2-CB 4.01Å; V117-P137 HydrophobicContact CG2-CG 4.03Å
118T97.9Very high98.1Very high33 Ų3336.1 Ų36.120%0.20223%0.23CC..SBendtrans-130154.8176.3176.40000111.8Q85 F86 E136Q85-T118 HydrophobicContact CB-CG2 4.49Å; Q85-T118 PolarHBondContact NE2-O 3.37Å; Q85-T118 VanDerWaalsContact OE1-N 3.11Å; F86-T118 HydrophobicContact CE1-CG2 4.1Å; F86-T118 HydrophobicContact CZ-CG2 3.94Å; T118-E136 VanDerWaalsContact CA-OE1 3.3Å; T118-E136 WeakPolarHBondContact CA-OE1 3.32Å; T118-E136 WeakPolarHBondContact CB-OE1 3.41Å; T118-E136 PolarHBondContact OG1-OE1 3.15Å
119G96.4Very high98.2Very high40 Ų4032.7 Ų32.741%0.41221%0.206SC..SBendtrans82.9-172.4175.700000114.3G121 A122 E136G119-G121 PolarHBondContact O-N 3.16Å; G119-A122 VanDerWaalsContact O-CB 3.24Å; G119-A122 WeakPolarHBondContact O-CB 3.12Å; G119-A122 PolarHBondContact O-N 3Å; G119-E136 PolarHBondContact N-OE1 3.38Å; G119-E136 VanDerWaalsContact N-OE1 3.1Å
120T94.9Very high98.2Very high141 Ų14133.3 Ų33.387%0.86521%0.211SC*.THydrogen-bonded Turntrans-60.4-33.4-174.355.20000112.9A122 K127T120-A122 VanDerWaalsContact C-N 3.35Å; T120-K127 WeakPolarHBondContact O-CE 3.37Å; T120-K127 PolarHBondContact O-NZ 2.99Å
121G96.2Very high98.1Very high59 Ų5939.1 Ų39.161%0.60824%0.236SC*.THydrogen-bonded Turntrans-83.61176.900000115.5G119G119-G121 PolarHBondContact O-N 3.16Å
122A98.4Very high98Very high5 Ų542.2 Ų42.24%0.04126%0.255CS..  trans-58.6142-17900000112.2A116 G119 T120 K127A116-A122 WeakPolarHBondContact O-CA 3.44Å; G119-A122 VanDerWaalsContact O-CB 3.24Å; G119-A122 WeakPolarHBondContact O-CB 3.12Å; G119-A122 PolarHBondContact O-N 3Å; T120-A122 VanDerWaalsContact C-N 3.35Å; A122-K127 HydrophobicContact CB-CD 4.42Å; A122-K127 HydrophobicContact CB-CG 3.76Å; A122-K127 WeakPolarHBondContact O-CE 3.5Å
123H98.7Very high98Very high38 Ų3843.8 Ų43.818%0.17627%0.266CS..  trans-57.9138176.1-171.3-86.8000110.4K26 I115 A116 A125 F126 K127K26-H123 PolarHBondContact O-CE1 2.87Å; K26-H123 PolarHBondContact O-NE2 2.98Å; I115-H123 HydrophobicContact CB-CB 4.26Å; I115-H123 HydrophobicContact CD1-CB 3.63Å; I115-H123 HydrophobicContact CG2-CB 4.47Å; A116-H123 PolarHBondContact O-N 3.21Å; H123-A125 WeakPolarHBondContact ND1-CB 3.02Å; H123-A125 PolarHBondContact ND1-N 2.63Å; H123-A125 PolarHBondContact O-N 3Å; H123-A125 VanDerWaalsContact O-N 3.13Å; H123-F126 PolarHBondContact O-N 3.4Å; H123-K127 PolarHBondContact O-N 3.5Å
124P98.5Very high97.9Very high74 Ų7446.1 Ų46.148%0.48129%0.292SS..Hα-helixtrans-52.9-39.3-176.1-29.635.9000114.3F25 F126 K127 Y128F25-P124 HydrophobicContact CD1-CB 3.86Å; F25-P124 HydrophobicContact CE1-CB 3.76Å; P124-F126 VanDerWaalsContact C-N 3.34Å; P124-F126 PolarHBondContact O-N 2.94Å; P124-K127 PolarHBondContact O-N 3.26Å; P124-Y128 PolarHBondContact O-N 3Å
125A98.6Very high97.9Very high0 Ų048.2 Ų48.20%030%0.301CS..Hα-helixtrans-60.5-40.3175.500000112.8F22 F25 L37 H123 Y128 L129F22-A125 HydrophobicContact CD2-CB 4.46Å; F22-A125 HydrophobicContact CE2-CB 4.03Å; F25-A125 HydrophobicContact CB-CB 3.93Å; F25-A125 HydrophobicContact CD2-CB 4.04Å; F25-A125 HydrophobicContact CG-CB 3.91Å; L37-A125 HydrophobicContact CD1-CB 4.4Å; H123-A125 WeakPolarHBondContact ND1-CB 3.02Å; H123-A125 PolarHBondContact ND1-N 2.63Å; H123-A125 PolarHBondContact O-N 3Å; H123-A125 VanDerWaalsContact O-N 3.13Å; A125-Y128 PolarHBondContact O-N 3.31Å; A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.33Å; A125-L129 PolarHBondContact O-N 2.89Å
126F98.7Very high97.9Very high0 Ų051.2 Ų51.20%032%0.315CS..Hα-helixtrans-74.7-32.9177.2-94.6-94.4000112.7V47 N49 F81 I115 V117 H123 P124 Y128 L129 A130 P137 Y144V47-F126 HydrophobicContact CG1-CE2 4.2Å; V47-F126 HydrophobicContact CG1-CZ 4.08Å; N49-F126 HydrophobicContact CB-CE1 4Å; N49-F126 HydrophobicContact CB-CZ 4Å; F81-F126 HydrophobicContact CB-CE2 3.7Å; F81-F126 HydrophobicContact CB-CZ 4.02Å; F81-F126 HydrophobicContact CD1-CE2 4.09Å; F81-F126 AromaticContact CD2-CE2 3.72Å; F81-F126 HydrophobicContact CD2-CE2 3.72Å; F81-F126 HydrophobicContact CD2-CZ 4.21Å; F81-F126 HydrophobicContact CE2-CE2 4.34Å; F81-F126 AromaticContact CG-CE2 3.58Å; F81-F126 HydrophobicContact CG-CE2 3.58Å; F81-F126 HydrophobicContact CG-CZ 4.24Å; I115-F126 HydrophobicContact CD1-CD2 3.53Å; I115-F126 HydrophobicContact CD1-CE2 3.72Å; I115-F126 HydrophobicContact CD1-CG 4.48Å; V117-F126 HydrophobicContact CB-CB 4.22Å; V117-F126 HydrophobicContact CB-CD1 3.51Å; V117-F126 HydrophobicContact CB-CD2 4.48Å; V117-F126 HydrophobicContact CB-CE1 3.91Å; V117-F126 HydrophobicContact CB-CG 3.81Å; V117-F126 HydrophobicContact CG1-CD1 3.7Å; V117-F126 HydrophobicContact CG1-CD2 3.96Å; V117-F126 HydrophobicContact CG1-CE1 3.73Å; V117-F126 HydrophobicContact CG1-CE2 4.02Å; V117-F126 HydrophobicContact CG1-CG 3.8Å; V117-F126 HydrophobicContact CG1-CZ 3.89Å; H123-F126 PolarHBondContact O-N 3.4Å; P124-F126 VanDerWaalsContact C-N 3.34Å; P124-F126 PolarHBondContact O-N 2.94Å; F126-Y128 VanDerWaalsContact C-N 3.32Å; F126-Y128 PolarHBondContact O-N 3.37Å; F126-L129 HydrophobicContact CD1-CD1 4.33Å; F126-L129 HydrophobicContact CE1-CD1 4.43Å; F126-L129 HydrophobicContact CG-CD1 4.42Å; F126-L129 PolarHBondContact O-N 2.77Å; F126-A130 WeakPolarHBondContact O-CB 3.27Å; F126-A130 PolarHBondContact O-N 3.12Å; F126-P137 HydrophobicContact CD1-CG 4.12Å; F126-P137 HydrophobicContact CE1-CG 4.31Å; F126-Y144 HydrophobicContact CD1-CE2 4.48Å; F126-Y144 HydrophobicContact CE1-CE2 4.17Å
127K98.4Very high97.8Very high80 Ų8049.9 Ų49.935%0.34830%0.303SS..Hα-helixtrans-58.8-45.7169.5-69.3-179.1172.6169.70111T120 A122 H123 P124 A130 Q131T120-K127 WeakPolarHBondContact O-CE 3.37Å; T120-K127 PolarHBondContact O-NZ 2.99Å; A122-K127 HydrophobicContact CB-CD 4.42Å; A122-K127 HydrophobicContact CB-CG 3.76Å; A122-K127 WeakPolarHBondContact O-CE 3.5Å; H123-K127 PolarHBondContact O-N 3.5Å; P124-K127 PolarHBondContact O-N 3.26Å; K127-A130 PolarHBondContact O-N 3.23Å; K127-Q131 WeakPolarHBondContact O-CB 3.29Å; K127-Q131 WeakPolarHBondContact O-CG 3.4Å; K127-Q131 PolarHBondContact O-N 3.06Å
128Y98.4Very high97.8Very high31 Ų3154.5 Ų54.512%0.12233%0.332CS..Hα-helixtrans-60.1-46.2175.5173.9-91.5000112.2Q20 D21 F22 F25 P124 A125 F126 A130 Q131 T132 V152Q20-Y128 WeakPolarHBondContact O-CE2 3.4Å; D21-Y128 WeakPolarHBondContact CA-OH 3.34Å; F22-Y128 HydrophobicContact CB-CD1 4.11Å; F22-Y128 HydrophobicContact CB-CE1 3.85Å; F25-Y128 VanDerWaalsContact CE2-CB 3.49Å; F25-Y128 HydrophobicContact CE2-CD1 4.08Å; F25-Y128 HydrophobicContact CE2-CD2 4.04Å; F25-Y128 AromaticContact CE2-CG 3.59Å; F25-Y128 HydrophobicContact CE2-CG 3.59Å; F25-Y128 HydrophobicContact CZ-CD2 4.23Å; F25-Y128 HydrophobicContact CZ-CG 4.02Å; P124-Y128 PolarHBondContact O-N 3Å; A125-Y128 PolarHBondContact O-N 3.31Å; F126-Y128 VanDerWaalsContact C-N 3.32Å; F126-Y128 PolarHBondContact O-N 3.37Å; Y128-A130 PolarHBondContact O-N 3.16Å; Y128-Q131 PolarHBondContact O-N 3.31Å; Y128-T132 VanDerWaalsContact O-CB 3.3Å; Y128-T132 WeakPolarHBondContact O-CB 3.12Å; Y128-T132 PolarHBondContact O-N 3.35Å; Y128-T132 PolarHBondContact O-OG1 3.38Å; Y128-V152 HydrophobicContact CD1-CG2 4.44Å; Y128-V152 HydrophobicContact CE1-CG2 3.88Å
129L98.7Very high97.8Very high0 Ų057.5 Ų57.50%034%0.34CS..Hα-helixtrans-58.6-48177-69.4175.1000111.5F22 V47 A125 F126 S133 Y144 V146 V152F22-L129 HydrophobicContact CD2-CD1 4.25Å; F22-L129 HydrophobicContact CD2-CD2 3.65Å; F22-L129 HydrophobicContact CD2-CG 3.91Å; F22-L129 HydrophobicContact CE2-CD1 3.84Å; F22-L129 HydrophobicContact CE2-CD2 4.05Å; F22-L129 HydrophobicContact CE2-CG 4.02Å; F22-L129 HydrophobicContact CG-CD2 4.36Å; V47-L129 HydrophobicContact CB-CD1 4.1Å; V47-L129 HydrophobicContact CG1-CD1 3.73Å; V47-L129 HydrophobicContact CG2-CD1 4.5Å; A125-L129 VanDerWaalsContact O-CG 3.31Å; A125-L129 WeakPolarHBondContact O-CG 3.33Å; A125-L129 PolarHBondContact O-N 2.89Å; F126-L129 HydrophobicContact CD1-CD1 4.33Å; F126-L129 HydrophobicContact CE1-CD1 4.43Å; F126-L129 HydrophobicContact CG-CD1 4.42Å; F126-L129 PolarHBondContact O-N 2.77Å; L129-S133 VanDerWaalsContact O-CB 3.28Å; L129-S133 WeakPolarHBondContact O-CB 3.37Å; L129-S133 PolarHBondContact O-N 2.75Å; L129-S133 PolarHBondContact O-OG 3Å; L129-Y144 HydrophobicContact CB-CD1 3.9Å; L129-Y144 HydrophobicContact CB-CD2 4.34Å; L129-Y144 HydrophobicContact CB-CE1 4.04Å; L129-Y144 HydrophobicContact CB-CE2 4.47Å; L129-Y144 HydrophobicContact CB-CG 4.06Å; L129-Y144 HydrophobicContact CD1-CD2 3.86Å; L129-Y144 HydrophobicContact CD1-CE2 4.44Å; L129-Y144 HydrophobicContact CD1-CG 3.98Å; L129-Y144 HydrophobicContact CD2-CD1 4.42Å; L129-Y144 HydrophobicContact CD2-CG 4.17Å; L129-Y144 HydrophobicContact CG-CG 4.29Å; L129-V146 HydrophobicContact CD2-CG2 4.04Å; L129-V152 HydrophobicContact CD2-CG2 3.57Å
130A98.2Very high98Very high15 Ų1555.6 Ų55.612%0.12432%0.32CS..Hα-helixtrans-64.5-44.4179.800000112.5F126 K127 Y128 S133 G134 K135 E136F126-A130 WeakPolarHBondContact O-CB 3.27Å; F126-A130 PolarHBondContact O-N 3.12Å; K127-A130 PolarHBondContact O-N 3.23Å; Y128-A130 PolarHBondContact O-N 3.16Å; A130-S133 PolarHBondContact O-OG 3.31Å; A130-G134 CarbonylContact O-C 3.52Å; A130-G134 WeakPolarHBondContact O-CA 3.29Å; A130-G134 PolarHBondContact O-N 2.71Å; A130-K135 WeakPolarHBondContact CA-O 3.47Å; A130-K135 PolarHBondContact O-N 3.4Å; A130-E136 HydrophobicContact CB-CB 4.11Å; A130-E136 HydrophobicContact CB-CG 4.29Å
131Q97.3Very high98.1Very high154 Ų15448.9 Ų48.972%0.7228%0.279SS*.Hα-helixtrans-65.1-46.8179.3-74170.4-12.700112K127 Y128 G134K127-Q131 WeakPolarHBondContact O-CB 3.29Å; K127-Q131 WeakPolarHBondContact O-CG 3.4Å; K127-Q131 PolarHBondContact O-N 3.06Å; Y128-Q131 PolarHBondContact O-N 3.31Å; Q131-G134 PolarHBondContact O-N 2.91Å
132T97.2Very high98.2Very high71 Ų7147 Ų4744%0.43625%0.253SS..Hα-helixtrans-71.6-35.7-175.8-520000112Y128 V152Y128-T132 VanDerWaalsContact O-CB 3.3Å; Y128-T132 WeakPolarHBondContact O-CB 3.12Å; Y128-T132 PolarHBondContact O-N 3.35Å; Y128-T132 PolarHBondContact O-OG1 3.38Å; T132-V152 HydrophobicContact CG2-CB 4.1Å; T132-V152 HydrophobicContact CG2-CG2 4.16Å
133S97.6Very high98.3Very high34 Ų3446.8 Ų46.824%0.23825%0.251CS..Hα-helixtrans-85.3-17177.963.70000113.9L129 A130 K135 Y144L129-S133 VanDerWaalsContact O-CB 3.28Å; L129-S133 WeakPolarHBondContact O-CB 3.37Å; L129-S133 PolarHBondContact O-N 2.75Å; L129-S133 PolarHBondContact O-OG 3Å; A130-S133 PolarHBondContact O-OG 3.31Å; S133-K135 PolarHBondContact O-N 2.74Å; S133-K135 PolarHBondContact OG-N 3.46Å; S133-K135 VanDerWaalsContact OG-N 3.15Å; S133-K135 PolarHBondContact OG-O 2.56Å; S133-Y144 WeakPolarHBondContact OG-CE1 3.47Å
134G97.8Very high98.3Very high63 Ų6345 Ų4565%0.64924%0.243SC*.THydrogen-bonded Turntrans65.819.3-167.200000113.5A130 Q131A130-G134 CarbonylContact O-C 3.52Å; A130-G134 WeakPolarHBondContact O-CA 3.29Å; A130-G134 PolarHBondContact O-N 2.71Å; Q131-G134 PolarHBondContact O-N 2.91Å
135K97.8Very high98.3Very high112 Ų11241.5 Ų41.549%0.48722%0.22SC..  trans-131.6103.5-175.3-60.5-64.4-179-179.40110.9A130 S133 W142 Y144 A155A130-K135 WeakPolarHBondContact CA-O 3.47Å; A130-K135 PolarHBondContact O-N 3.4Å; S133-K135 PolarHBondContact O-N 2.74Å; S133-K135 PolarHBondContact OG-N 3.46Å; S133-K135 VanDerWaalsContact OG-N 3.15Å; S133-K135 PolarHBondContact OG-O 2.56Å; K135-W142 HydrophobicContact CB-CE3 4.49Å; K135-W142 HydrophobicContact CB-CH2 4.14Å; K135-W142 HydrophobicContact CB-CZ3 3.62Å; K135-W142 HydrophobicContact CD-CH2 4.42Å; K135-W142 HydrophobicContact CD-CZ3 4.48Å; K135-W142 HydrophobicContact CG-CZ3 4.25Å; K135-Y144 WeakPolarHBondContact O-CE1 3.43Å; K135-Y144 PolarHBondContact O-OH 3Å; K135-A155 HydrophobicContact CB-CB 4.2Å; K135-A155 HydrophobicContact CG-CB 4.24Å
136E98.1Very high98.3Very high93 Ų9341.5 Ų41.544%0.43522%0.22SC..  trans-84.9142.1172.7-169.7174.9-152.600110.9T118 G119 A130 T138T118-E136 VanDerWaalsContact CA-OE1 3.3Å; T118-E136 WeakPolarHBondContact CA-OE1 3.32Å; T118-E136 WeakPolarHBondContact CB-OE1 3.41Å; T118-E136 PolarHBondContact OG1-OE1 3.15Å; G119-E136 PolarHBondContact N-OE1 3.38Å; G119-E136 VanDerWaalsContact N-OE1 3.1Å; A130-E136 HydrophobicContact CB-CB 4.11Å; A130-E136 HydrophobicContact CB-CG 4.29Å; E136-T138 PolarHBondContact O-N 2.97Å
137P98.4Very high98.3Very high3 Ų342 Ų422%0.01922%0.224CC..  trans-62.8123.7177.6-20.232.3000111.9F86 V117 F126 W142 Y144F86-P137 WeakPolarHBondContact CE1-O 3.3Å; F86-P137 HydrophobicContact CE2-CB 4.35Å; F86-P137 HydrophobicContact CZ-CB 3.91Å; F86-P137 WeakPolarHBondContact CZ-O 3.44Å; V117-P137 HydrophobicContact CB-CG 4.32Å; V117-P137 HydrophobicContact CG2-CB 4.01Å; V117-P137 HydrophobicContact CG2-CG 4.03Å; F126-P137 HydrophobicContact CD1-CG 4.12Å; F126-P137 HydrophobicContact CE1-CG 4.31Å; P137-W142 HydrophobicContact CB-CB 4.11Å; P137-W142 HydrophobicContact CB-CD2 4.46Å; P137-W142 HydrophobicContact CB-CG 3.9Å; P137-W142 HydrophobicContact CG-CB 4.42Å; P137-Y144 WeakPolarHBondContact CD-OH 3.43Å; P137-Y144 HydrophobicContact CG-CE2 4.19Å; P137-Y144 VanDerWaalsContact CG-OH 3.31Å; P137-Y144 WeakPolarHBondContact CG-OH 3.47Å
138T98.1Very high98.2Very high99 Ų9939.2 Ų39.261%0.60721%0.214SC*.  trans-101-8.4174.257.70000113.3F86 E136 W142F86-T138 VanDerWaalsContact CE1-C 3.48Å; E136-T138 PolarHBondContact O-N 2.97Å; T138-W142 HydrophobicContact CG2-CZ2 4.39Å; T138-W142 PolarHBondContact OG1-NE1 2.89Å
139W98.5Very high98.1Very high96 Ų9641.3 Ų41.336%0.36423%0.228SC..SBendtrans-156.3-179.8-179.2-158.2-111.8000111.7N49 F56 F86 W142 P158N49-W139 PolarHBondContact ND2-O 3.35Å; F56-W139 AromaticContact CD2-CD1 3.98Å; F56-W139 AromaticContact CD2-NE1 3.97Å; F86-W139 HydrophobicContact CB-CD2 4.33Å; F86-W139 HydrophobicContact CB-CE3 4.07Å; F86-W139 HydrophobicContact CB-CZ3 4.37Å; F86-W139 VanDerWaalsContact CD2-C 3.47Å; F86-W139 WeakPolarHBondContact CE2-O 3.38Å; W139-W142 VanDerWaalsContact O-CD1 3.26Å; W139-P158 HydrophobicContact CB-CG 4.12Å; W139-P158 HydrophobicContact CG-CG 4.47Å
140N98.6Very high98.1Very high0 Ų041.3 Ų41.30%023%0.228CC..THydrogen-bonded Turntrans-66.6153.2168-62.9-46.2000111.1A51 C54 F86 Q89 P158A51-N140 HydrophobicContact CB-CB 3.88Å; A51-N140 WeakPolarHBondContact CB-ND2 3.42Å; A51-N140 WeakPolarHBondContact CB-OD1 3.35Å; C54-N140 HydrophobicContact CB-CB 4.42Å; F86-N140 WeakPolarHBondContact CD2-OD1 3.45Å; F86-N140 PolarHBondContact O-ND2 2.78Å; Q89-N140 PolarHBondContact OE1-ND2 3.39Å; N140-P158 VanDerWaalsContact O-CB 3.23Å; N140-P158 WeakPolarHBondContact O-CB 3.19Å; N140-P158 WeakPolarHBondContact O-CG 3.32Å
141F98.6Very high98.1Very high0 Ų046.2 Ų46.20%025%0.246CC..THydrogen-bonded Turntrans65.132.2176-56.5-82.5000116.2V48 N49 V50 A51 C54 F56 H60 Y61 K143 P158V48-F141 HydrophobicContact CG1-CD1 4.21Å; N49-F141 VanDerWaalsContact O-CA 3.23Å; N49-F141 WeakPolarHBondContact O-CA 3.39Å; N49-F141 PolarHBondContact O-N 2.94Å; V50-F141 HydrophobicContact CB-CE1 4.1Å; V50-F141 HydrophobicContact CB-CZ 4.46Å; V50-F141 HydrophobicContact CG1-CD1 4.28Å; V50-F141 HydrophobicContact CG1-CE1 3.94Å; A51-F141 HydrophobicContact CB-CE2 4.42Å; A51-F141 WeakPolarHBondContact O-CZ 3.34Å; C54-F141 HydrophobicContact CB-CE2 3.92Å; F56-F141 HydrophobicContact CB-CD2 3.53Å; F56-F141 HydrophobicContact CB-CE2 3.94Å; F56-F141 HydrophobicContact CB-CG 4.26Å; H60-F141 HydrophobicContact CB-CB 4.49Å; H60-F141 HydrophobicContact CB-CD1 3.36Å; H60-F141 HydrophobicContact CB-CE1 3.62Å; H60-F141 HydrophobicContact CB-CG 3.94Å; H60-F141 HydrophobicContact CB-CZ 4.4Å; H60-F141 AromaticContact CG-CD1 3.79Å; H60-F141 AromaticContact CG-CG 3.9Å; Y61-F141 HydrophobicContact CD2-CE1 4.15Å; Y61-F141 HydrophobicContact CD2-CZ 4.13Å; Y61-F141 HydrophobicContact CE2-CE1 4.2Å; Y61-F141 HydrophobicContact CE2-CZ 4.07Å; F141-K143 PolarHBondContact O-NZ 3.4Å; F141-P158 HydrophobicContact CB-CB 4.05Å
142W98.8Very high98.1Very high20 Ų2040 Ų408%0.07622%0.219CC..  trans-67.7144.9158.3-82.370.5000110.1V48 N49 K135 P137 T138 W139 Y144 W156 D157V48-W142 VanDerWaalsContact CA-O 3.32Å; V48-W142 WeakPolarHBondContact CA-O 3.43Å; V48-W142 WeakPolarHBondContact CG1-O 3.34Å; N49-W142 PolarHBondContact N-O 2.69Å; N49-W142 WeakPolarHBondContact OD1-CA 3.39Å; N49-W142 WeakPolarHBondContact OD1-CB 3.39Å; N49-W142 PolarHBondContact OD1-N 2.85Å; N49-W142 PolarHBondContact OD1-O 3.36Å; K135-W142 HydrophobicContact CB-CE3 4.49Å; K135-W142 HydrophobicContact CB-CH2 4.14Å; K135-W142 HydrophobicContact CB-CZ3 3.62Å; K135-W142 HydrophobicContact CD-CH2 4.42Å; K135-W142 HydrophobicContact CD-CZ3 4.48Å; K135-W142 HydrophobicContact CG-CZ3 4.25Å; P137-W142 HydrophobicContact CB-CB 4.11Å; P137-W142 HydrophobicContact CB-CD2 4.46Å; P137-W142 HydrophobicContact CB-CG 3.9Å; P137-W142 HydrophobicContact CG-CB 4.42Å; T138-W142 HydrophobicContact CG2-CZ2 4.39Å; T138-W142 PolarHBondContact OG1-NE1 2.89Å; W139-W142 VanDerWaalsContact O-CD1 3.26Å; W142-Y144 HydrophobicContact CB-CE2 4.22Å; W142-W156 WeakPolarHBondContact CA-O 3.23Å; W142-D157 HydrophobicContact CD2-CB 4.24Å; W142-D157 HydrophobicContact CE3-CB 4.48Å; W142-D157 HydrophobicContact CH2-CB 3.91Å; W142-D157 HydrophobicContact CZ2-CB 3.64Å; W142-D157 HydrophobicContact CZ3-CB 4.29Å
143K98.8Very high98.2Very high0 Ų040 Ų400%022%0.219CC..EExtended strand (participates in β ladder)trans-127.7131.6-172.7-54.8166.6-152.264.60108.8L46 V47 V48 H60 F141 A155 W156 D157 V160 V162 V165L46-K143 HydrophobicContact CD1-CB 4.1Å; V47-K143 CarbonylContact O-C 3.59Å; V47-K143 WeakPolarHBondContact O-CA 3.44Å; V48-K143 HydrophobicContact CG1-CG 4.42Å; V48-K143 HydrophobicContact CG2-CG 4.21Å; H60-K143 WeakPolarHBondContact CE1-CE 3.21Å; H60-K143 PolarHBondContact CE1-NZ 2.71Å; H60-K143 VanDerWaalsContact CE1-NZ 3.32Å; H60-K143 WeakPolarHBondContact ND1-CE 3.49Å; F141-K143 PolarHBondContact O-NZ 3.4Å; K143-A155 CarbonylContact O-C 3.57Å; K143-A155 VanDerWaalsContact O-CA 3.22Å; K143-A155 WeakPolarHBondContact O-CA 3.31Å; K143-W156 HydrophobicContact CB-CE3 4.23Å; K143-W156 PolarHBondContact N-O 3.31Å; K143-W156 PolarHBondContact O-N 2.92Å; K143-D157 PolarHBondContact NZ-O 2.88Å; K143-V160 VanDerWaalsContact CE-O 3.24Å; K143-V160 WeakPolarHBondContact CE-O 3.24Å; K143-V160 PolarHBondContact NZ-O 2.9Å; K143-V162 HydrophobicContact CD-CG2 4.34Å; K143-V165 HydrophobicContact CD-CG2 4.48Å
144Y98.9Very high98.2Very high0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-121.8125.1173.1-58.9-93.2000109.4V47 F126 L129 S133 K135 P137 W142 V152 G154 A155V47-Y144 PolarHBondContact N-O 3.23Å; V47-Y144 PolarHBondContact O-N 2.91Å; F126-Y144 HydrophobicContact CD1-CE2 4.48Å; F126-Y144 HydrophobicContact CE1-CE2 4.17Å; L129-Y144 HydrophobicContact CB-CD1 3.9Å; L129-Y144 HydrophobicContact CB-CD2 4.34Å; L129-Y144 HydrophobicContact CB-CE1 4.04Å; L129-Y144 HydrophobicContact CB-CE2 4.47Å; L129-Y144 HydrophobicContact CB-CG 4.06Å; L129-Y144 HydrophobicContact CD1-CD2 3.86Å; L129-Y144 HydrophobicContact CD1-CE2 4.44Å; L129-Y144 HydrophobicContact CD1-CG 3.98Å; L129-Y144 HydrophobicContact CD2-CD1 4.42Å; L129-Y144 HydrophobicContact CD2-CG 4.17Å; L129-Y144 HydrophobicContact CG-CG 4.29Å; S133-Y144 WeakPolarHBondContact OG-CE1 3.47Å; K135-Y144 WeakPolarHBondContact O-CE1 3.43Å; K135-Y144 PolarHBondContact O-OH 3Å; P137-Y144 WeakPolarHBondContact CD-OH 3.43Å; P137-Y144 HydrophobicContact CG-CE2 4.19Å; P137-Y144 VanDerWaalsContact CG-OH 3.31Å; P137-Y144 WeakPolarHBondContact CG-OH 3.47Å; W142-Y144 HydrophobicContact CB-CE2 4.22Å; Y144-V152 HydrophobicContact CD1-CG1 4.42Å; Y144-G154 CarbonylContact C-O 3.51Å; Y144-G154 WeakPolarHBondContact CA-O 3.31Å; Y144-A155 HydrophobicContact CD1-CB 3.64Å; Y144-A155 HydrophobicContact CE1-CB 3.8Å
145L98.8Very high98.3Very high1 Ų137.4 Ų37.41%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-91.7120.3175.1-176.257.1000109.2V44 V153 G154 W156 Q168 I169 L172V44-L145 HydrophobicContact CG1-CD1 3.45Å; V44-L145 VanDerWaalsContact CG1-CD1 3.45Å; L145-V153 HydrophobicContact CB-CG2 4.2Å; L145-V153 HydrophobicContact CD2-CG2 4.09Å; L145-V153 HydrophobicContact CG-CG2 3.76Å; L145-V153 WeakPolarHBondContact O-CG2 3.3Å; L145-V153 PolarHBondContact O-N 2.78Å; L145-G154 PolarHBondContact N-O 3.47Å; L145-G154 PolarHBondContact O-N 2.9Å; L145-W156 HydrophobicContact CB-CH2 3.78Å; L145-W156 HydrophobicContact CB-CZ3 3.62Å; L145-W156 HydrophobicContact CD2-CH2 3.97Å; L145-Q168 HydrophobicContact CD2-CB 4.31Å; L145-I169 HydrophobicContact CD1-CG1 3.84Å; L145-I169 HydrophobicContact CD2-CG1 4.06Å; L145-L172 HydrophobicContact CD1-CD1 4.26Å; L145-L172 HydrophobicContact CD2-CD1 3.6Å; L145-L172 HydrophobicContact CG-CD1 3.84Å
146V98.8Very high98.3Very high0 Ų033.9 Ų33.90%018%0.178CC..EExtended strand (participates in β ladder)trans-111.3125180-1770000108.7F22 Y23 S45 V47 L129 G150 K151F22-V146 HydrophobicContact CB-CG1 3.95Å; F22-V146 HydrophobicContact CB-CG2 4.4Å; F22-V146 HydrophobicContact CD1-CB 4.37Å; F22-V146 HydrophobicContact CD1-CG1 3.9Å; F22-V146 HydrophobicContact CD1-CG2 4Å; F22-V146 HydrophobicContact CE1-CG2 4.46Å; F22-V146 HydrophobicContact CG-CG1 4.18Å; F22-V146 HydrophobicContact CG-CG2 4.05Å; Y23-V146 HydrophobicContact CE1-CG1 4.22Å; Y23-V146 HydrophobicContact CE2-CG1 4.15Å; S45-V146 PolarHBondContact N-O 3.42Å; S45-V146 PolarHBondContact O-N 3.44Å; V47-V146 HydrophobicContact CG2-CG2 3.87Å; L129-V146 HydrophobicContact CD2-CG2 4.04Å; V146-G150 WeakPolarHBondContact CG1-O 3.48Å; V146-K151 CarbonylContact C-O 3.56Å; V146-K151 WeakPolarHBondContact CA-O 3.35Å
147A98.3Very high98.3Very high9 Ų932 Ų327%0.07417%0.17CC..  trans-72.5166.1178.600000111.9Y23 D149 G150 K151 V153Y23-A147 WeakPolarHBondContact CE2-O 3.29Å; Y23-A147 PolarHBondContact OH-O 2.6Å; A147-D149 VanDerWaalsContact CB-OD1 3.29Å; A147-D149 WeakPolarHBondContact CB-OD1 3.36Å; A147-D149 PolarHBondContact O-N 3.22Å; A147-D149 VanDerWaalsContact O-N 3.08Å; A147-G150 PolarHBondContact O-N 2.93Å; A147-K151 PolarHBondContact N-O 2.85Å; A147-V153 HydrophobicContact CB-CG1 3.83Å; A147-V153 HydrophobicContact CB-CG2 4.26Å
148P97.6Very high98.3Very high22 Ų2232.3 Ų32.314%0.14317%0.173CC..THydrogen-bonded Turntrans-59.3-21.9-179-26.937.4000115.4R41 G42 S43 V44 G150 L176R41-P148 WeakPolarHBondContact CG-O 3.48Å; G42-P148 PolarHBondContact N-O 3.01Å; S43-P148 WeakPolarHBondContact O-CA 3.33Å; V44-P148 HydrophobicContact CG2-CG 3.98Å; P148-G150 VanDerWaalsContact C-N 3.35Å; P148-L176 HydrophobicContact CB-CD1 4.17Å; P148-L176 HydrophobicContact CG-CB 4.44Å; P148-L176 HydrophobicContact CG-CD1 3.99Å; P148-L176 HydrophobicContact CG-CD2 4.07Å; P148-L176 HydrophobicContact CG-CG 4.39Å
149D96.5Very high98.2Very high76 Ų7632.5 Ų32.541%0.40617%0.174SC..THydrogen-bonded Turntrans-88.82.3176.266.2-9.8000113.4R41 A147 K151R41-D149 PolarHBondContact NH1-O 3.04Å; A147-D149 VanDerWaalsContact CB-OD1 3.29Å; A147-D149 WeakPolarHBondContact CB-OD1 3.36Å; A147-D149 PolarHBondContact O-N 3.22Å; A147-D149 VanDerWaalsContact O-N 3.08Å; D149-K151 PolarHBondContact OD1-N 2.95Å; D149-K151 WeakPolarHBondContact OD2-CD 3.27Å
150G97.8Very high98.2Very high0 Ų029.5 Ų29.50%017%0.166CC..SBendtrans89.7-2.2177.900000114.9F22 V146 A147 P148F22-G150 WeakPolarHBondContact CB-O 3.29Å; F22-G150 PolarHBondContact N-O 2.82Å; V146-G150 WeakPolarHBondContact CG1-O 3.48Å; A147-G150 PolarHBondContact O-N 2.93Å; P148-G150 VanDerWaalsContact C-N 3.35Å
151K97.9Very high98.1Very high118 Ų11830.3 Ų30.351%0.51317%0.172SC..  trans-77.9140.7179.1-65.1-175.2179.5-177.80111.9V146 A147 D149V146-K151 CarbonylContact C-O 3.56Å; V146-K151 WeakPolarHBondContact CA-O 3.35Å; A147-K151 PolarHBondContact N-O 2.85Å; D149-K151 PolarHBondContact OD1-N 2.95Å; D149-K151 WeakPolarHBondContact OD2-CD 3.27Å
152V98.3Very high98.1Very high23 Ų2330.5 Ų30.514%0.13917%0.173CC..EExtended strand (participates in β ladder)trans-76.9123.5172-170.50000108.9Y128 L129 T132 Y144Y128-V152 HydrophobicContact CD1-CG2 4.44Å; Y128-V152 HydrophobicContact CE1-CG2 3.88Å; L129-V152 HydrophobicContact CD2-CG2 3.57Å; T132-V152 HydrophobicContact CG2-CB 4.1Å; T132-V152 HydrophobicContact CG2-CG2 4.16Å; Y144-V152 HydrophobicContact CD1-CG1 4.42Å
153V98.3Very high98Very high72 Ų7234.4 Ų34.444%0.43619%0.192SC..EExtended strand (participates in β ladder)trans-120.8-1.1-176.1-63.40000113.3L145 A147 L172L145-V153 HydrophobicContact CB-CG2 4.2Å; L145-V153 HydrophobicContact CD2-CG2 4.09Å; L145-V153 HydrophobicContact CG-CG2 3.76Å; L145-V153 WeakPolarHBondContact O-CG2 3.3Å; L145-V153 PolarHBondContact O-N 2.78Å; A147-V153 HydrophobicContact CB-CG1 3.83Å; A147-V153 HydrophobicContact CB-CG2 4.26Å; V153-L172 HydrophobicContact CG2-CD1 3.66Å
154G98.4Very high98Very high14 Ų1440.2 Ų40.214%0.14422%0.219CC..EExtended strand (participates in β ladder)trans-169.4152.7172.300000112.1Y144 L145Y144-G154 CarbonylContact C-O 3.51Å; Y144-G154 WeakPolarHBondContact CA-O 3.31Å; L145-G154 PolarHBondContact N-O 3.47Å; L145-G154 PolarHBondContact O-N 2.9Å
155A98.7Very high98Very high27 Ų2740.2 Ų40.222%0.22322%0.219CC..EExtended strand (participates in β ladder)trans-146.8134.4175.600000110K135 K143 Y144K135-A155 HydrophobicContact CB-CB 4.2Å; K135-A155 HydrophobicContact CG-CB 4.24Å; K143-A155 CarbonylContact O-C 3.57Å; K143-A155 VanDerWaalsContact O-CA 3.22Å; K143-A155 WeakPolarHBondContact O-CA 3.31Å; Y144-A155 HydrophobicContact CD1-CB 3.64Å; Y144-A155 HydrophobicContact CE1-CB 3.8Å
156W98.8Very high97.9Very high38 Ų3844.7 Ų44.714%0.14424%0.236CC..EExtended strand (participates in β ladder)trans-138.8142.6-178.8-55-92.2000111.7W142 K143 L145 V160 V165W142-W156 WeakPolarHBondContact CA-O 3.23Å; K143-W156 HydrophobicContact CB-CE3 4.23Å; K143-W156 PolarHBondContact N-O 3.31Å; K143-W156 PolarHBondContact O-N 2.92Å; L145-W156 HydrophobicContact CB-CH2 3.78Å; L145-W156 HydrophobicContact CB-CZ3 3.62Å; L145-W156 HydrophobicContact CD2-CH2 3.97Å; W156-V160 HydrophobicContact CB-CB 3.97Å; W156-V160 HydrophobicContact CB-CG1 4.32Å; W156-V160 HydrophobicContact CB-CG2 4.2Å; W156-V160 HydrophobicContact CG-CB 4.36Å; W156-V160 HydrophobicContact CG-CG1 4.21Å; W156-V165 HydrophobicContact CB-CG2 4.42Å; W156-V165 HydrophobicContact CD2-CG1 4.03Å; W156-V165 HydrophobicContact CD2-CG2 3.64Å; W156-V165 HydrophobicContact CE3-CG1 3.72Å; W156-V165 HydrophobicContact CE3-CG2 3.98Å; W156-V165 HydrophobicContact CG-CG2 3.85Å; W156-V165 HydrophobicContact CH2-CG1 3.57Å; W156-V165 HydrophobicContact CZ2-CG1 3.9Å; W156-V165 HydrophobicContact CZ3-CG1 3.48Å; W156-V165 VanDerWaalsContact CZ3-CG1 3.48Å
157D98.3Very high97.9Very high53 Ų5348.7 Ų48.728%0.28326%0.262SS..  trans-74.3173.6172.276.972000110.8W142 K143 T159 V160W142-D157 HydrophobicContact CD2-CB 4.24Å; W142-D157 HydrophobicContact CE3-CB 4.48Å; W142-D157 HydrophobicContact CH2-CB 3.91Å; W142-D157 HydrophobicContact CZ2-CB 3.64Å; W142-D157 HydrophobicContact CZ3-CB 4.29Å; K143-D157 PolarHBondContact NZ-O 2.88Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 PolarHBondContact O-N 3.42Å; D157-T159 WeakPolarHBondContact OD1-CA 3.47Å; D157-T159 VanDerWaalsContact OD1-CB 3.26Å; D157-T159 WeakPolarHBondContact OD1-CB 3.44Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.38Å; D157-T159 PolarHBondContact OD1-N 3.25Å; D157-T159 PolarHBondContact OD1-OG1 3.24Å; D157-V160 PolarHBondContact O-N 3.24Å
158P97.6Very high97.9Very high10 Ų1052.8 Ų52.87%0.06528%0.279CS..THydrogen-bonded Turntrans-71.1-16.6-174.127.4-34.7000115.4F56 H60 W139 N140 F141 V160F56-P158 HydrophobicContact CD2-CB 4.03Å; F56-P158 HydrophobicContact CD2-CG 4.5Å; F56-P158 HydrophobicContact CE2-CB 4.02Å; F56-P158 HydrophobicContact CE2-CG 4.14Å; F56-P158 HydrophobicContact CG-CB 4.3Å; F56-P158 HydrophobicContact CZ-CB 4.27Å; H60-P158 PolarHBondContact CE1-O 3.34Å; H60-P158 PolarHBondContact NE2-O 3.5Å; H60-P158 VanDerWaalsContact NE2-O 3.12Å; W139-P158 HydrophobicContact CB-CG 4.12Å; W139-P158 HydrophobicContact CG-CG 4.47Å; N140-P158 VanDerWaalsContact O-CB 3.23Å; N140-P158 WeakPolarHBondContact O-CB 3.19Å; N140-P158 WeakPolarHBondContact O-CG 3.32Å; F141-P158 HydrophobicContact CB-CB 4.05Å; P158-V160 VanDerWaalsContact C-N 3.27Å; P158-V160 PolarHBondContact O-N 2.89Å
159T97.1Very high97.9Very high104 Ų10451.7 Ų51.764%0.63827%0.273SS*.THydrogen-bonded Turntrans-72-25179.169.30000112.1D157 S161D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 PolarHBondContact O-N 3.42Å; D157-T159 WeakPolarHBondContact OD1-CA 3.47Å; D157-T159 VanDerWaalsContact OD1-CB 3.26Å; D157-T159 WeakPolarHBondContact OD1-CB 3.44Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.38Å; D157-T159 PolarHBondContact OD1-N 3.25Å; D157-T159 PolarHBondContact OD1-OG1 3.24Å; T159-S161 PolarHBondContact O-N 3.08Å
160V98.1Very high98Very high32 Ų3250.7 Ų50.719%0.19427%0.269CS..SBendtrans-79119170.2-172.40000108.9K143 W156 D157 P158 E164 V165K143-V160 VanDerWaalsContact CE-O 3.24Å; K143-V160 WeakPolarHBondContact CE-O 3.24Å; K143-V160 PolarHBondContact NZ-O 2.9Å; W156-V160 HydrophobicContact CB-CB 3.97Å; W156-V160 HydrophobicContact CB-CG1 4.32Å; W156-V160 HydrophobicContact CB-CG2 4.2Å; W156-V160 HydrophobicContact CG-CB 4.36Å; W156-V160 HydrophobicContact CG-CG1 4.21Å; D157-V160 PolarHBondContact O-N 3.24Å; P158-V160 VanDerWaalsContact C-N 3.27Å; P158-V160 PolarHBondContact O-N 2.89Å; V160-E164 HydrophobicContact CG1-CB 3.91Å; V160-V165 HydrophobicContact CG1-CG2 3.79Å
161S97Very high98Very high17 Ų1753.7 Ų53.712%0.11929%0.294CS..  trans-68.6158.6179.966.20000112T159 E163 E164 V165T159-S161 PolarHBondContact O-N 3.08Å; S161-E163 WeakPolarHBondContact CB-OE2 3.12Å; S161-E163 PolarHBondContact O-N 3.5Å; S161-E164 WeakPolarHBondContact CB-OE2 3.41Å; S161-E164 PolarHBondContact N-OE2 3.48Å; S161-E164 PolarHBondContact O-N 2.91Å; S161-E164 WeakPolarHBondContact OG-CG 3.22Å; S161-E164 PolarHBondContact OG-N 3.45Å; S161-E164 PolarHBondContact OG-OE2 2.94Å; S161-V165 WeakPolarHBondContact O-CG2 3.38Å; S161-V165 PolarHBondContact O-N 3.22Å
162V97.5Very high98Very high4 Ų450.3 Ų50.32%0.02428%0.281CS..Hα-helixtrans-66.8-31.5176.3175.10000110.4A63 L64 L67 K143 E164 V165 R166A63-V162 HydrophobicContact CB-CB 3.62Å; A63-V162 HydrophobicContact CB-CG1 4.03Å; A63-V162 HydrophobicContact CB-CG2 3.98Å; L64-V162 HydrophobicContact CD2-CG1 4.41Å; L64-V162 HydrophobicContact CD2-CG2 3.96Å; L64-V162 HydrophobicContact CG-CG2 4.1Å; L67-V162 HydrophobicContact CB-CG1 4.42Å; L67-V162 HydrophobicContact CD2-CG1 4Å; K143-V162 HydrophobicContact CD-CG2 4.34Å; V162-E164 VanDerWaalsContact C-N 3.35Å; V162-V165 PolarHBondContact O-N 3.43Å; V162-R166 WeakPolarHBondContact O-CB 3.4Å; V162-R166 PolarHBondContact O-N 3.17Å
163E97.4Very high97.9Very high103 Ų10349.6 Ų49.648%0.48128%0.277SS..Hα-helixtrans-60.1-42174.5-6872.8-163.600111.9A63 S161 V165 R166 P167A63-E163 VanDerWaalsContact CB-OE1 3.23Å; A63-E163 WeakPolarHBondContact CB-OE1 3.43Å; S161-E163 WeakPolarHBondContact CB-OE2 3.12Å; S161-E163 PolarHBondContact O-N 3.5Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.34Å; E163-R166 WeakPolarHBondContact O-CB 3.34Å; E163-R166 PolarHBondContact O-N 3.09Å; E163-P167 WeakPolarHBondContact O-CD 3.5Å
164E98.1Very high97.9Very high122 Ų12254.5 Ų54.557%0.5729%0.287SS*.Hα-helixtrans-68.9-30.8176.5-74.3166.9117.500112.7V160 S161 V162 P167V160-E164 HydrophobicContact CG1-CB 3.91Å; S161-E164 WeakPolarHBondContact CB-OE2 3.41Å; S161-E164 PolarHBondContact N-OE2 3.48Å; S161-E164 PolarHBondContact O-N 2.91Å; S161-E164 WeakPolarHBondContact OG-CG 3.22Å; S161-E164 PolarHBondContact OG-N 3.45Å; S161-E164 PolarHBondContact OG-OE2 2.94Å; V162-E164 VanDerWaalsContact C-N 3.35Å; E164-P167 WeakPolarHBondContact O-CD 3.47Å
165V97.9Very high97.7Very high0 Ų061.2 Ų61.20%031%0.313CS..Hα-helixtrans-81.7-27.1177.6-175.40000111.9K143 W156 V160 S161 V162 E163 P167 Q168 I169K143-V165 HydrophobicContact CD-CG2 4.48Å; W156-V165 HydrophobicContact CB-CG2 4.42Å; W156-V165 HydrophobicContact CD2-CG1 4.03Å; W156-V165 HydrophobicContact CD2-CG2 3.64Å; W156-V165 HydrophobicContact CE3-CG1 3.72Å; W156-V165 HydrophobicContact CE3-CG2 3.98Å; W156-V165 HydrophobicContact CG-CG2 3.85Å; W156-V165 HydrophobicContact CH2-CG1 3.57Å; W156-V165 HydrophobicContact CZ2-CG1 3.9Å; W156-V165 HydrophobicContact CZ3-CG1 3.48Å; W156-V165 VanDerWaalsContact CZ3-CG1 3.48Å; V160-V165 HydrophobicContact CG1-CG2 3.79Å; S161-V165 WeakPolarHBondContact O-CG2 3.38Å; S161-V165 PolarHBondContact O-N 3.22Å; V162-V165 PolarHBondContact O-N 3.43Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.34Å; V165-P167 VanDerWaalsContact C-CD 3.43Å; V165-Q168 PolarHBondContact O-N 2.87Å; V165-I169 HydrophobicContact CG1-CD1 3.93Å; V165-I169 HydrophobicContact CG1-CG1 4.08Å; V165-I169 PolarHBondContact O-N 3.34Å
166R98.1Very high97.6Very high94 Ų9460.2 Ų60.236%0.35530%0.304SS..Hα-helixtrans-50.5-40.8-175178.9177.4178.8147.76.4115L67 D70 V162 E163 Q168 I169 T170L67-R166 HydrophobicContact CD1-CB 4.38Å; L67-R166 HydrophobicContact CD1-CG 3.91Å; D70-R166 IonicContact OD2-CZ 3.12Å; D70-R166 IonicContact OD2-NH1 2.82Å; D70-R166 PolarHBondContact OD2-NH1 3.16Å; D70-R166 IonicContact OD2-NH2 3.5Å; D70-R166 PolarHBondContact OD2-NH2 3.35Å; V162-R166 WeakPolarHBondContact O-CB 3.4Å; V162-R166 PolarHBondContact O-N 3.17Å; E163-R166 WeakPolarHBondContact O-CB 3.34Å; E163-R166 PolarHBondContact O-N 3.09Å; R166-Q168 VanDerWaalsContact C-N 3.31Å; R166-Q168 PolarHBondContact O-N 3.33Å; R166-I169 PolarHBondContact O-N 3.15Å; R166-T170 WeakPolarHBondContact O-CB 3.43Å; R166-T170 PolarHBondContact O-N 3.01Å; R166-T170 PolarHBondContact O-OG1 3.09Å
167P98.4Very high97.3Very high84 Ų8461.2 Ų61.255%0.54531%0.311SS..Hα-helixtrans-58.1-41.2177.9-26.835.8000113.1E163 E164 V165 T170 A171E163-P167 WeakPolarHBondContact O-CD 3.5Å; E164-P167 WeakPolarHBondContact O-CD 3.47Å; V165-P167 VanDerWaalsContact C-CD 3.43Å; P167-T170 PolarHBondContact O-N 3.23Å; P167-A171 WeakPolarHBondContact O-CB 3.36Å; P167-A171 PolarHBondContact O-N 3.41Å
168Q98Very high97.1Very high95 Ų9562.6 Ų62.644%0.44432%0.318SS..Hα-helixtrans-67.5-41.8179.7-59.2-169.732.800111.5L145 V165 R166 A171 L172L145-Q168 HydrophobicContact CD2-CB 4.31Å; V165-Q168 PolarHBondContact O-N 2.87Å; R166-Q168 VanDerWaalsContact C-N 3.31Å; R166-Q168 PolarHBondContact O-N 3.33Å; Q168-A171 PolarHBondContact O-N 3.28Å; Q168-L172 PolarHBondContact O-N 3.07Å; Q168-L172 VanDerWaalsContact O-N 3.15Å
169I98.4Very high96.8Very high0 Ų068.6 Ų68.60%034%0.339CS..Hα-helixtrans-61.3-47.8176-58179.3000110.3V44 L46 L67 L71 F76 L145 V165 R166 A171 L172 V173V44-I169 HydrophobicContact CG1-CG2 4.38Å; L46-I169 HydrophobicContact CB-CD1 4.47Å; L46-I169 HydrophobicContact CD1-CD1 4Å; L46-I169 HydrophobicContact CD2-CD1 3.9Å; L46-I169 HydrophobicContact CG-CD1 4.35Å; L67-I169 HydrophobicContact CD2-CD1 3.56Å; L71-I169 HydrophobicContact CD1-CG2 3.69Å; F76-I169 HydrophobicContact CD2-CG2 3.58Å; F76-I169 HydrophobicContact CE2-CD1 4.37Å; F76-I169 HydrophobicContact CE2-CG2 3.42Å; F76-I169 VanDerWaalsContact CE2-CG2 3.42Å; F76-I169 HydrophobicContact CG-CG2 4.42Å; F76-I169 HydrophobicContact CZ-CG2 4.15Å; L145-I169 HydrophobicContact CD1-CG1 3.84Å; L145-I169 HydrophobicContact CD2-CG1 4.06Å; V165-I169 HydrophobicContact CG1-CD1 3.93Å; V165-I169 HydrophobicContact CG1-CG1 4.08Å; V165-I169 PolarHBondContact O-N 3.34Å; R166-I169 PolarHBondContact O-N 3.15Å; I169-A171 VanDerWaalsContact C-N 3.31Å; I169-A171 PolarHBondContact O-N 2.66Å; I169-L172 PolarHBondContact O-N 3.27Å; I169-V173 HydrophobicContact CG2-CG2 4.46Å; I169-V173 WeakPolarHBondContact O-CG2 3.38Å; I169-V173 PolarHBondContact O-N 2.85Å
170T97.8Very high96.4Very high55 Ų5567.9 Ų67.934%0.33733%0.328SS..Hα-helixtrans-64.1-38.1-178.1-54.20000111.3R166 P167 V173 R174R166-T170 WeakPolarHBondContact O-CB 3.43Å; R166-T170 PolarHBondContact O-N 3.01Å; R166-T170 PolarHBondContact O-OG1 3.09Å; P167-T170 PolarHBondContact O-N 3.23Å; T170-V173 PolarHBondContact O-N 3.12Å; T170-R174 VanDerWaalsContact O-CB 3.31Å; T170-R174 WeakPolarHBondContact O-CB 3.46Å; T170-R174 PolarHBondContact O-N 3.32Å
171A97.9Very high95.9Very high62 Ų6275 Ų7551%0.51235%0.351SS..Hα-helixtrans-61.9-44.617500000112.2P167 Q168 I169 R174 K175P167-A171 WeakPolarHBondContact O-CB 3.36Å; P167-A171 PolarHBondContact O-N 3.41Å; Q168-A171 PolarHBondContact O-N 3.28Å; I169-A171 VanDerWaalsContact C-N 3.31Å; I169-A171 PolarHBondContact O-N 2.66Å; A171-R174 PolarHBondContact O-N 2.97Å; A171-K175 WeakPolarHBondContact O-CB 3.23Å; A171-K175 PolarHBondContact O-N 3.21Å
172L97.4Very high95.3Very high47 Ų4781.7 Ų81.725%0.24638%0.38CS..Hα-helixtrans-64.4-44.5176.2-70.4-179.4000112.4V44 L145 V153 Q168 I169 R174 K175 L176V44-L172 HydrophobicContact CG1-CB 4.34Å; V44-L172 HydrophobicContact CG1-CD1 4.23Å; V44-L172 HydrophobicContact CG2-CB 3.76Å; L145-L172 HydrophobicContact CD1-CD1 4.26Å; L145-L172 HydrophobicContact CD2-CD1 3.6Å; L145-L172 HydrophobicContact CG-CD1 3.84Å; V153-L172 HydrophobicContact CG2-CD1 3.66Å; Q168-L172 PolarHBondContact O-N 3.07Å; Q168-L172 VanDerWaalsContact O-N 3.15Å; I169-L172 PolarHBondContact O-N 3.27Å; L172-R174 VanDerWaalsContact C-N 3.35Å; L172-K175 PolarHBondContact O-N 2.86Å; L172-L176 WeakPolarHBondContact O-CB 3.43Å; L172-L176 PolarHBondContact O-N 3.31Å
173V97.4Very high94.3Very high8 Ų887.3 Ų87.35%0.04841%0.41CS..Hα-helixtrans-61.5-44.9177.1169.50000110.6V44 L71 H75 F76 I169 T170 K175 L176 I177V44-V173 HydrophobicContact CB-CG2 4.01Å; V44-V173 HydrophobicContact CG2-CG2 3.86Å; L71-V173 HydrophobicContact CD1-CG2 4.49Å; H75-V173 HydrophobicContact CB-CG1 3.87Å; F76-V173 HydrophobicContact CB-CG2 4.02Å; I169-V173 HydrophobicContact CG2-CG2 4.46Å; I169-V173 WeakPolarHBondContact O-CG2 3.38Å; I169-V173 PolarHBondContact O-N 2.85Å; T170-V173 PolarHBondContact O-N 3.12Å; V173-K175 PolarHBondContact O-N 3.41Å; V173-L176 WeakPolarHBondContact O-CB 3.39Å; V173-L176 PolarHBondContact O-N 3.49Å; V173-I177 HydrophobicContact CG1-CD1 3.85Å; V173-I177 WeakPolarHBondContact O-CG1 3.41Å; V173-I177 PolarHBondContact O-N 3.47Å
174R96.8Very high92.7Very high175 Ų17592 Ų9266%0.6644%0.438SS*.Hα-helixtrans-60.3-46.2176.3-176.9178179.4174.50.3111.6T170 A171 L172 L176 I177 L178T170-R174 VanDerWaalsContact O-CB 3.31Å; T170-R174 WeakPolarHBondContact O-CB 3.46Å; T170-R174 PolarHBondContact O-N 3.32Å; A171-R174 PolarHBondContact O-N 2.97Å; L172-R174 VanDerWaalsContact C-N 3.35Å; R174-L176 VanDerWaalsContact C-N 3.31Å; R174-L176 PolarHBondContact O-N 2.68Å; R174-I177 PolarHBondContact O-N 3.43Å; R174-L178 HydrophobicContact CG-CD1 4.18Å; R174-L178 WeakPolarHBondContact O-CG 3.23Å; R174-L178 PolarHBondContact O-N 2.84Å
175K95.9Very high92.4Very high155 Ų15590.6 Ų90.667%0.67443%0.431SS*.Hα-helixtrans-59.8-42.2177-174.5177.9-179.1178.70111.7A171 L172 V173 L178 R179A171-K175 WeakPolarHBondContact O-CB 3.23Å; A171-K175 PolarHBondContact O-N 3.21Å; L172-K175 PolarHBondContact O-N 2.86Å; V173-K175 PolarHBondContact O-N 3.41Å; K175-L178 PolarHBondContact O-N 2.82Å; K175-R179 PolarHBondContact O-N 3.32Å
176L95.2Very high92.1Very high7 Ų795.3 Ų95.34%0.03745%0.454CS..Hα-helixtrans-60.6-45.2175.717465.8000112G42 H75 P148 L172 V173 R174 K180G42-L176 VanDerWaalsContact O-CD2 3.29Å; G42-L176 WeakPolarHBondContact O-CD2 3.21Å; H75-L176 HydrophobicContact CB-CD2 4.08Å; P148-L176 HydrophobicContact CB-CD1 4.17Å; P148-L176 HydrophobicContact CG-CB 4.44Å; P148-L176 HydrophobicContact CG-CD1 3.99Å; P148-L176 HydrophobicContact CG-CD2 4.07Å; P148-L176 HydrophobicContact CG-CG 4.39Å; L172-L176 WeakPolarHBondContact O-CB 3.43Å; L172-L176 PolarHBondContact O-N 3.31Å; V173-L176 WeakPolarHBondContact O-CB 3.39Å; V173-L176 PolarHBondContact O-N 3.49Å; R174-L176 VanDerWaalsContact C-N 3.31Å; R174-L176 PolarHBondContact O-N 2.68Å; L176-K180 WeakPolarHBondContact O-CG 3.26Å; L176-K180 PolarHBondContact O-N 2.82Å; L176-K180 VanDerWaalsContact O-N 3.12Å
177I93.9Very high91.8Very high58 Ų5895.4 Ų95.430%0.29746%0.459SS..Hα-helixtrans-64.7-43.7179.7-68.6166.2000111.1V173 R174 K180 R181V173-I177 HydrophobicContact CG1-CD1 3.85Å; V173-I177 WeakPolarHBondContact O-CG1 3.41Å; V173-I177 PolarHBondContact O-N 3.47Å; R174-I177 PolarHBondContact O-N 3.43Å; I177-K180 PolarHBondContact O-N 3.12Å; I177-R181 PolarHBondContact O-N 3.41Å
178L93.9Very high91.4Very high82 Ų8296.1 Ų96.143%0.42945%0.454SS..Hα-helixtrans-63.5-46.2178.9-69.6173.6000111.5R174 K175 K180 R181 E182R174-L178 HydrophobicContact CG-CD1 4.18Å; R174-L178 WeakPolarHBondContact O-CG 3.23Å; R174-L178 PolarHBondContact O-N 2.84Å; K175-L178 PolarHBondContact O-N 2.82Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 3.23Å; L178-R181 WeakPolarHBondContact O-CB 3.5Å; L178-R181 PolarHBondContact O-N 3.28Å; L178-E182 PolarHBondContact O-N 3.1Å; L178-E182 VanDerWaalsContact O-N 3.16Å
179R91.6Very high91Very high136 Ų13696.1 Ų96.151%0.51346%0.455SS..Hα-helixtrans-58.1-45.5177-167.8-17974.8-171.33.4111.9K175 R181 E182 D183K175-R179 PolarHBondContact O-N 3.32Å; R179-R181 PolarHBondContact O-N 2.59Å; R179-E182 PolarHBondContact O-N 2.82Å; R179-E182 VanDerWaalsContact O-N 3.11Å; R179-D183 VanDerWaalsContact O-CG 3.29Å; R179-D183 PolarHBondContact O-N 2.94Å; R179-D183 VanDerWaalsContact O-N 3.14Å
180K87.7Confident90.5Very high90 Ų90102.5 Ų102.539%0.39149%0.485SS..Hα-helixtrans-62.8-23177.3-76.2-168.8177.6-170.10113.9L176 I177 L178 L184L176-K180 WeakPolarHBondContact O-CG 3.26Å; L176-K180 PolarHBondContact O-N 2.82Å; L176-K180 VanDerWaalsContact O-N 3.12Å; I177-K180 PolarHBondContact O-N 3.12Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 3.23Å; K180-L184 WeakPolarHBondContact O-CD1 3.36Å; K180-L184 WeakPolarHBondContact O-CG 3.37Å
181R87Confident89.9Confident182 Ų182105.9 Ų105.969%0.68750%0.496SS*.Hα-helixtrans-81.4-30.6175.1-77.2178.9159.9-170.4-5.5112.6I177 L178 R179 D183I177-R181 PolarHBondContact O-N 3.41Å; L178-R181 WeakPolarHBondContact O-CB 3.5Å; L178-R181 PolarHBondContact O-N 3.28Å; R179-R181 PolarHBondContact O-N 2.59Å; R181-D183 VanDerWaalsContact C-N 3.34Å
182E85.6Confident89.3Confident156 Ų156109.3 Ų109.373%0.72949%0.494SS*.Hα-helixtrans-74.7-27.8176.2-67.6170.3167.700111.9L178 R179 L184L178-E182 PolarHBondContact O-N 3.1Å; L178-E182 VanDerWaalsContact O-N 3.16Å; R179-E182 PolarHBondContact O-N 2.82Å; R179-E182 VanDerWaalsContact O-N 3.11Å; E182-L184 VanDerWaalsContact C-N 3.29Å; E182-L184 PolarHBondContact O-N 3.11Å
183D76.4Confident88.7Confident122 Ų122114.5 Ų114.565%0.65252%0.515SS*.THydrogen-bonded Turntrans-81-1178.3-61.6-29.9000114R179 R181R179-D183 VanDerWaalsContact O-CG 3.29Å; R179-D183 PolarHBondContact O-N 2.94Å; R179-D183 VanDerWaalsContact O-N 3.14Å; R181-D183 VanDerWaalsContact C-N 3.34Å
184L62.5Low87.9Confident203 Ų203124.2 Ų124.2100%1.06356%0.558SS**  trans-109.80-178.6-73.8172.2000111.7K180 E182K180-L184 WeakPolarHBondContact O-CD1 3.36Å; K180-L184 WeakPolarHBondContact O-CG 3.37Å; E182-L184 VanDerWaalsContact C-N 3.29Å; E182-L184 PolarHBondContact O-N 3.11Å

Retrieved 184 of 184 residues in 1076.3 ms (Link to these results)

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