A0A077Z8R8_TRITR Loading...

Adenylate kinase isoenzyme 6 homolog

Broad-specificity nucleoside monophosphate (NMP) kinase that catalyzes the reversible transfer of the terminal phosphate group between nucleoside triphosphates and monophosphates. Has also ATPase activity. Involved in the late cytoplasmic maturation steps of the 40S ribosomal particles, specifically 18S rRNA maturation. While NMP activity is not required for ribosome maturation, ATPase activity is. Associates transiently with small ribosomal subunit protein uS11. ATP hydrolysis breaks the interaction with uS11. May temporarily remove uS11 from the ribosome to enable a conformational change of the ribosomal RNA that is needed for the final maturation step of the small ribosomal subunit. Its NMP activity may have a role in nuclear energy homeostasis.

AlphaFold DB , UniProt , Accession A0A077Z8R8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 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
1M49Very low84Confident187 Ų18762.5 Ų62.592%0.92131%0.314SS*.  0121.70-121.2178.7-165.600106.8R3 R90M1-R3 PolarHBondContact O-N 3.15Å; M1-R3 VanDerWaalsContact O-N 3.15Å; M1-R90 VanDerWaalsContact CE-NH2 3.32Å
2V54.1Low85.2Confident151 Ų15157.3 Ų57.392%0.91529%0.288SS*.  trans-63.3115175.3179.10000107.4
3R69.6Low86.2Confident150 Ų15053 Ų5357%0.56627%0.266SS*.  trans-79.4144.2175.7-86-172.9167.8-171.5-6.5109.8M1 P172M1-R3 PolarHBondContact O-N 3.15Å; M1-R3 VanDerWaalsContact O-N 3.15Å; R3-P172 PolarHBondContact NH1-O 3.43Å; R3-P172 VanDerWaalsContact NH1-O 3.11Å
4R83Confident87Confident32 Ų3249.4 Ų49.412%0.12125%0.249CC..  trans-61.8137.5178.5-62.9171.2-62.81705.5109.8K6 N8 L72 L73 R90 T91 D93R4-K6 VanDerWaalsContact C-N 3.31Å; R4-N8 VanDerWaalsContact NH1-CG 3.33Å; R4-N8 PolarHBondContact NH1-ND2 2.94Å; R4-L72 WeakPolarHBondContact CD-O 2.99Å; R4-L72 PolarHBondContact NH1-O 2.87Å; R4-L73 WeakPolarHBondContact CD-O 3.45Å; R4-L73 WeakPolarHBondContact CG-O 3.35Å; R4-R90 PolarHBondContact NH2-O 2.87Å; R4-T91 PolarHBondContact NH1-O 3.31Å; R4-D93 IonicContact CZ-OD1 3.36Å; R4-D93 IonicContact CZ-OD2 3.78Å; R4-D93 IonicContact NH1-OD2 3.94Å; R4-D93 IonicContact NH2-OD1 2.84Å; R4-D93 PolarHBondContact NH2-OD1 2.68Å; R4-D93 IonicContact NH2-OD2 3.21Å; R4-D93 PolarHBondContact NH2-OD2 2.97Å
5S84.8Confident87.7Confident75 Ų7547.9 Ų47.952%0.52424%0.244SC..SBendtrans-79.5-17.9179.461.20000113.2
6K92.9Very high88.3Confident92 Ų9245.1 Ų45.140%0.423%0.23SC..SBendtrans-130.7146.1-178.4-66.6-63.9-172.7173.10110.1R4 G75 N76 Y166R4-K6 VanDerWaalsContact C-N 3.31Å; K6-G75 WeakPolarHBondContact O-CA 3.04Å; K6-N76 HydrophobicContact CB-CB 3.65Å; K6-N76 HydrophobicContact CG-CB 4.19Å; K6-Y166 HydrophobicContact CD-CE2 4.39Å
7P96.6Very high88.8Confident0 Ų042.5 Ų42.50%022%0.217CC..  trans-76.7160.3-176.332.5-33.4000111.6F9 N76 D93 Y166 W169P7-F9 HydrophobicContact CB-CD1 4.23Å; P7-F9 HydrophobicContact CB-CE1 3.58Å; P7-F9 HydrophobicContact CB-CZ 3.98Å; P7-F9 HydrophobicContact CG-CE1 3.88Å; P7-F9 HydrophobicContact CG-CE2 4.42Å; P7-F9 HydrophobicContact CG-CZ 3.72Å; P7-N76 VanDerWaalsContact O-CA 3.27Å; P7-N76 WeakPolarHBondContact O-CA 3.36Å; P7-N76 PolarHBondContact O-N 3.43Å; P7-D93 VanDerWaalsContact CA-OD2 3.25Å; P7-D93 WeakPolarHBondContact CA-OD2 3.35Å; P7-D93 HydrophobicContact CB-CB 4.11Å; P7-Y166 HydrophobicContact CG-CD2 3.76Å; P7-Y166 HydrophobicContact CG-CE2 4.24Å; P7-W169 HydrophobicContact CB-CD2 3.61Å; P7-W169 HydrophobicContact CB-CE3 3.91Å; P7-W169 HydrophobicContact CB-CG 3.91Å; P7-W169 HydrophobicContact CB-CZ2 4.27Å; P7-W169 HydrophobicContact CB-CZ3 4.37Å; P7-W169 HydrophobicContact CG-CB 3.93Å; P7-W169 HydrophobicContact CG-CD2 3.95Å; P7-W169 HydrophobicContact CG-CE3 4.43Å; P7-W169 HydrophobicContact CG-CG 3.69Å
8N98Very high89.4Confident0 Ų040.8 Ų40.80%021%0.212CC..  trans-110.4137.1159.3-73-7000110.7R4 L72 G75 N76 C77 T91 I92 D93 A94R4-N8 VanDerWaalsContact NH1-CG 3.33Å; R4-N8 PolarHBondContact NH1-ND2 2.94Å; N8-L72 WeakPolarHBondContact ND2-CA 3.33Å; N8-L72 WeakPolarHBondContact ND2-CB 3.47Å; N8-L72 WeakPolarHBondContact ND2-CD2 3.09Å; N8-L72 PolarHBondContact ND2-O 3.46Å; N8-G75 WeakPolarHBondContact OD1-CA 3.3Å; N8-N76 PolarHBondContact OD1-N 3.47Å; N8-C77 CarbonylContact C-O 3.59Å; N8-C77 WeakPolarHBondContact CA-O 3.36Å; N8-C77 WeakPolarHBondContact OD1-CB 3.09Å; N8-C77 PolarHBondContact OD1-N 3.24Å; N8-T91 WeakPolarHBondContact CB-O 3.35Å; N8-T91 PolarHBondContact ND2-O 2.99Å; N8-I92 HydrophobicContact CB-CD1 4.17Å; N8-D93 PolarHBondContact N-OD2 2.62Å; N8-D93 PolarHBondContact O-N 3.02Å; N8-A94 PolarHBondContact O-N 3.28Å
9F98.6Very high89.8Confident1 Ų139.7 Ų39.70%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-115.5144175-59.4-30.1000110.9P7 L32 C77 I78 V79 A94 F96 I162 Q165P7-F9 HydrophobicContact CB-CD1 4.23Å; P7-F9 HydrophobicContact CB-CE1 3.58Å; P7-F9 HydrophobicContact CB-CZ 3.98Å; P7-F9 HydrophobicContact CG-CE1 3.88Å; P7-F9 HydrophobicContact CG-CE2 4.42Å; P7-F9 HydrophobicContact CG-CZ 3.72Å; F9-L32 HydrophobicContact CD2-CD1 4.19Å; F9-C77 PolarHBondContact N-O 2.83Å; F9-I78 HydrophobicContact CB-CG1 4.44Å; F9-I78 CarbonylContact O-C 3.59Å; F9-I78 WeakPolarHBondContact O-CA 3.43Å; F9-V79 PolarHBondContact O-N 2.85Å; F9-A94 WeakPolarHBondContact CA-O 3.37Å; F9-A94 HydrophobicContact CD1-CB 3.74Å; F9-A94 HydrophobicContact CE1-CB 3.95Å; F9-F96 HydrophobicContact CB-CD2 4.25Å; F9-F96 HydrophobicContact CB-CE2 3.89Å; F9-F96 HydrophobicContact CD1-CE2 4.02Å; F9-F96 HydrophobicContact CD2-CE2 4.03Å; F9-F96 AromaticContact CG-CE2 3.74Å; F9-F96 HydrophobicContact CG-CE2 3.74Å; F9-I162 HydrophobicContact CD2-CG2 3.64Å; F9-I162 HydrophobicContact CE2-CG2 4.03Å; F9-Q165 HydrophobicContact CE2-CB 4.36Å; F9-Q165 HydrophobicContact CZ-CB 4.03Å
10L98.7Very high90.3Very high0 Ų040.8 Ų40.80%021%0.214CC..EExtended strand (participates in β ladder)trans-108.4128.2169.3172.963000108.5A12 V79 C84 F87 I92 A94 V95 F96L10-A12 HydrophobicContact CD2-CB 4.33Å; L10-A12 HydrophobicContact CG-CB 4.19Å; L10-V79 HydrophobicContact CD1-CB 3.95Å; L10-V79 HydrophobicContact CD1-CG1 3.96Å; L10-C84 HydrophobicContact CD2-CB 4.22Å; L10-F87 HydrophobicContact CD1-CD2 4.37Å; L10-F87 HydrophobicContact CD1-CE2 3.71Å; L10-F87 HydrophobicContact CD1-CZ 4.15Å; L10-F87 HydrophobicContact CD2-CD2 3.65Å; L10-F87 HydrophobicContact CD2-CE2 3.8Å; L10-F87 HydrophobicContact CG-CE2 4.4Å; L10-I92 HydrophobicContact CB-CD1 4.16Å; L10-I92 HydrophobicContact CB-CG1 4.35Å; L10-I92 HydrophobicContact CB-CG2 3.77Å; L10-A94 PolarHBondContact N-O 3.37Å; L10-V95 HydrophobicContact CB-CG1 4.41Å; L10-V95 HydrophobicContact CB-CG2 4.3Å; L10-V95 HydrophobicContact CD2-CG1 4.02Å; L10-V95 HydrophobicContact CD2-CG2 4.21Å; L10-V95 HydrophobicContact CG-CG1 4.26Å; L10-V95 CarbonylContact O-C 3.54Å; L10-V95 WeakPolarHBondContact O-CA 3.24Å; L10-F96 PolarHBondContact O-N 3.18Å
11I98.8Very high90.7Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-102.2110.5166.1-48.6-53.4000107K19 C23 I78 V79 Y81 F96 L98 I162I11-K19 HydrophobicContact CG2-CB 4.07Å; I11-K19 HydrophobicContact CG2-CG 4.17Å; I11-C23 WeakPolarHBondContact CG1-SG 3.27Å; I11-I78 HydrophobicContact CD1-CD1 4.02Å; I11-I78 HydrophobicContact CD1-CG1 4.43Å; I11-I78 HydrophobicContact CG1-CD1 3.74Å; I11-I78 HydrophobicContact CG1-CG1 3.91Å; I11-V79 PolarHBondContact N-O 2.65Å; I11-Y81 PolarHBondContact O-N 2.88Å; I11-F96 WeakPolarHBondContact CA-O 3.11Å; I11-F96 HydrophobicContact CD1-CB 3.67Å; I11-F96 HydrophobicContact CD1-CD2 3.65Å; I11-F96 HydrophobicContact CD1-CG 3.96Å; I11-L98 HydrophobicContact CG2-CD1 3.94Å; I11-L98 HydrophobicContact CG2-CD2 4.29Å; I11-L98 HydrophobicContact CG2-CG 3.8Å; I11-I162 HydrophobicContact CD1-CD1 3.62Å; I11-I162 HydrophobicContact CD1-CG1 4.42Å
12A98.5Very high93Very high0 Ų033.9 Ų33.90%018%0.184CC..EExtended strand (participates in β ladder)trans-114.6178-177.700000111.3L10 K19 Y81 C84 V95 F96 V97 L98L10-A12 HydrophobicContact CD2-CB 4.33Å; L10-A12 HydrophobicContact CG-CB 4.19Å; A12-K19 VanDerWaalsContact C-CD 3.47Å; A12-Y81 WeakPolarHBondContact CA-O 3.4Å; A12-C84 VanDerWaalsContact CB-SG 3.54Å; A12-V95 HydrophobicContact CB-CG1 4.28Å; A12-F96 PolarHBondContact N-O 3.15Å; A12-V97 HydrophobicContact CB-CG2 4.48Å; A12-L98 PolarHBondContact O-N 3.21Å
13G98.2Very high95.2Very high1 Ų126.7 Ų26.71%0.0114%0.141CC..EExtended strand (participates in β ladder)trans126.7170.5177.700000113.3K19 H82 L131G13-K19 WeakPolarHBondContact O-CE 3.5Å; G13-K19 PolarHBondContact O-NZ 2.76Å; G13-H82 PolarHBondContact N-O 3.37Å; G13-L131 WeakPolarHBondContact O-CD1 3.27Å
14T97.9Very high96.5Very high3 Ų323 Ų232%0.01813%0.132CC..SBendtrans-59.2143.1-170-49.10000111.2G16 T17 K19 L105 N122 C125 E126 L131T14-G16 PolarHBondContact O-N 2.83Å; T14-T17 VanDerWaalsContact O-CG2 3.31Å; T14-T17 WeakPolarHBondContact O-CG2 3.32Å; T14-T17 PolarHBondContact O-N 3.37Å; T14-T17 VanDerWaalsContact O-N 3.13Å; T14-T17 PolarHBondContact O-OG1 2.84Å; T14-K19 PolarHBondContact O-NZ 2.78Å; T14-K19 VanDerWaalsContact O-NZ 3.16Å; T14-L105 HydrophobicContact CG2-CD2 4.1Å; T14-N122 HydrophobicContact CG2-CB 4.02Å; T14-N122 VanDerWaalsContact CG2-O 3.24Å; T14-N122 WeakPolarHBondContact CG2-O 3.37Å; T14-C125 HydrophobicContact CG2-CB 4.37Å; T14-E126 VanDerWaalsContact CB-OE2 3.28Å; T14-E126 WeakPolarHBondContact CB-OE2 3.14Å; T14-E126 HydrophobicContact CG2-CB 4.3Å; T14-E126 PolarHBondContact OG1-OE2 3.28Å; T14-L131 VanDerWaalsContact N-CD1 3.35Å
15P96.6Very high97.3Very high27 Ų2724.6 Ų24.618%0.17514%0.138CC..THydrogen-bonded Turntrans-47.6128.5168.3-29.937.3000111.1L109 Y114 N122P15-L109 VanDerWaalsContact O-CD2 3.26Å; P15-L109 WeakPolarHBondContact O-CD2 3.45Å; P15-Y114 HydrophobicContact CB-CE2 4.37Å; P15-N122 VanDerWaalsContact CD-OD1 3.32Å; P15-N122 WeakPolarHBondContact CD-OD1 3.31Å; P15-N122 WeakPolarHBondContact CG-OD1 3.35Å
16G97.1Very high98Very high3 Ų321 Ų213%0.03111%0.113CC..THydrogen-bonded Turntrans99.8-13.9-177.200000115.7T14 G18 R108T14-G16 PolarHBondContact O-N 2.83Å; G16-G18 PolarHBondContact O-N 2.96Å; G16-R108 VanDerWaalsContact O-CD 3.23Å; G16-R108 WeakPolarHBondContact O-CD 3.4Å; G16-R108 PolarHBondContact O-NH1 3.41Å; G16-R108 VanDerWaalsContact O-NH1 3.12Å
17T98.2Very high98.2Very high0 Ų018.9 Ų18.90%011%0.107CC..SBendtrans-72.4-11.2-178.858.50000114.8T14 C100 L105 R108 N149T14-T17 VanDerWaalsContact O-CG2 3.31Å; T14-T17 WeakPolarHBondContact O-CG2 3.32Å; T14-T17 PolarHBondContact O-N 3.37Å; T14-T17 VanDerWaalsContact O-N 3.13Å; T14-T17 PolarHBondContact O-OG1 2.84Å; T17-C100 HydrophobicContact CG2-CB 3.89Å; T17-L105 HydrophobicContact CG2-CD1 4.3Å; T17-R108 PolarHBondContact O-NH1 3.11Å; T17-N149 PolarHBondContact O-ND2 2.81Å
18G98.1Very high98.3Very high12 Ų1225.3 Ų25.312%0.12414%0.138CC..  trans102.618.317400000116.1G16 T20 T21 V22G16-G18 PolarHBondContact O-N 2.96Å; G18-T20 PolarHBondContact O-N 3.39Å; G18-T21 WeakPolarHBondContact O-CB 3.4Å; G18-T21 PolarHBondContact O-N 3.44Å; G18-V22 PolarHBondContact O-N 3Å
19K98.6Very high98.3Very high20 Ų2027.9 Ų27.99%0.08715%0.151CC..Hα-helixtrans-47.9-55.9-179.1-58.5-175-68.2-74.60113.7I11 A12 G13 T14 T21 V22 C23 D80 Y81 L98I11-K19 HydrophobicContact CG2-CB 4.07Å; I11-K19 HydrophobicContact CG2-CG 4.17Å; A12-K19 VanDerWaalsContact C-CD 3.47Å; G13-K19 WeakPolarHBondContact O-CE 3.5Å; G13-K19 PolarHBondContact O-NZ 2.76Å; T14-K19 PolarHBondContact O-NZ 2.78Å; T14-K19 VanDerWaalsContact O-NZ 3.16Å; K19-T21 VanDerWaalsContact C-N 3.26Å; K19-T21 PolarHBondContact O-N 2.86Å; K19-V22 PolarHBondContact O-N 3.01Å; K19-V22 VanDerWaalsContact O-N 3.13Å; K19-C23 WeakPolarHBondContact O-CB 3.33Å; K19-C23 PolarHBondContact O-N 3.06Å; K19-C23 PolarHBondContact O-SG 2.92Å; K19-D80 VanDerWaalsContact CB-OD1 3.3Å; K19-D80 WeakPolarHBondContact CB-OD1 3.47Å; K19-Y81 WeakPolarHBondContact CD-O 3.4Å; K19-Y81 WeakPolarHBondContact CE-O 3.35Å; K19-L98 HydrophobicContact CB-CD1 4.39Å; K19-L98 HydrophobicContact CG-CD1 4.09Å; K19-L98 HydrophobicContact CG-CG 4.46Å
20T98.2Very high98.3Very high62 Ų6228.1 Ų28.138%0.3815%0.153SC..Hα-helixtrans-58.2-38.7179.5-48.10000112.5G18 N24 D80G18-T20 PolarHBondContact O-N 3.39Å; T20-N24 WeakPolarHBondContact O-CB 3.25Å; T20-N24 PolarHBondContact O-N 3.08Å; T20-N24 PolarHBondContact O-ND2 2.85Å; T20-D80 WeakPolarHBondContact CA-OD2 3.32Å; T20-D80 VanDerWaalsContact CB-OD2 3.22Å; T20-D80 WeakPolarHBondContact CB-OD2 3.38Å; T20-D80 PolarHBondContact N-OD2 3.45Å; T20-D80 PolarHBondContact OG1-OD2 3.38Å
21T98.5Very high98.2Very high83 Ų8332.6 Ų32.651%0.50918%0.182SC..Hα-helixtrans-65.1-46177.3-49.40000111.2G18 K19 N24 R25 V155G18-T21 WeakPolarHBondContact O-CB 3.4Å; G18-T21 PolarHBondContact O-N 3.44Å; K19-T21 VanDerWaalsContact C-N 3.26Å; K19-T21 PolarHBondContact O-N 2.86Å; T21-N24 PolarHBondContact O-N 2.79Å; T21-R25 PolarHBondContact O-N 2.95Å; T21-V155 HydrophobicContact CG2-CG1 4.08Å; T21-V155 HydrophobicContact CG2-CG2 4.15Å
22V98.9Very high98.2Very high0 Ų033.1 Ų33.10%019%0.185CC..Hα-helixtrans-64.2-46.3176.7174.10000111G18 K19 N24 R25 V26 L98 V155 N158 I162G18-V22 PolarHBondContact O-N 3Å; K19-V22 PolarHBondContact O-N 3.01Å; K19-V22 VanDerWaalsContact O-N 3.13Å; V22-N24 PolarHBondContact O-N 2.83Å; V22-R25 PolarHBondContact O-N 2.72Å; V22-R25 VanDerWaalsContact O-N 3.12Å; V22-V26 HydrophobicContact CG1-CG2 4.32Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 2.72Å; V22-L98 HydrophobicContact CB-CD1 4.15Å; V22-L98 HydrophobicContact CG2-CD1 3.7Å; V22-L98 HydrophobicContact CG2-CD2 4.48Å; V22-V155 HydrophobicContact CG2-CB 4.48Å; V22-V155 HydrophobicContact CG2-CG1 4.27Å; V22-V155 HydrophobicContact CG2-CG2 4.18Å; V22-N158 HydrophobicContact CG1-CB 4.44Å; V22-I162 HydrophobicContact CG1-CD1 3.68Å
23C98.8Very high98.1Very high0 Ų037.5 Ų37.50%021%0.205CC..Hα-helixtrans-56.1-49.5176.4-78.40000112.4I11 K19 R25 V26 V27 L34 D80I11-C23 WeakPolarHBondContact CG1-SG 3.27Å; K19-C23 WeakPolarHBondContact O-CB 3.33Å; K19-C23 PolarHBondContact O-N 3.06Å; K19-C23 PolarHBondContact O-SG 2.92Å; C23-R25 VanDerWaalsContact C-N 3.26Å; C23-R25 PolarHBondContact O-N 3.09Å; C23-V26 PolarHBondContact O-N 2.93Å; C23-V27 PolarHBondContact O-N 2.78Å; C23-V27 VanDerWaalsContact O-N 3.08Å; C23-L34 HydrophobicContact CB-CD1 3.66Å; C23-L34 HydrophobicContact CB-CD2 4.48Å; C23-D80 HydrophobicContact CB-CB 4.4Å
24N98.7Very high98.1Very high72 Ų7240 Ų4039%0.38522%0.219SC..Hα-helixtrans-59.6-38.8176.7-75.4-22.3000111.6T20 T21 V22 V27 Q28 L34T20-N24 WeakPolarHBondContact O-CB 3.25Å; T20-N24 PolarHBondContact O-N 3.08Å; T20-N24 PolarHBondContact O-ND2 2.85Å; T21-N24 PolarHBondContact O-N 2.79Å; V22-N24 PolarHBondContact O-N 2.83Å; N24-V27 WeakPolarHBondContact O-CG2 3.45Å; N24-Q28 WeakPolarHBondContact O-CG 3.09Å; N24-Q28 PolarHBondContact O-N 2.92Å; N24-L34 VanDerWaalsContact OD1-CD2 3.26Å; N24-L34 WeakPolarHBondContact OD1-CD2 3.39Å
25R98.7Very high98.2Very high65 Ų6540.6 Ų40.625%0.24522%0.221CC..Hα-helixtrans-68.5-39.5176.7-174.358-178.8141.54.1112.4T21 V22 C23 Q28 L29 V155 E156 A159T21-R25 PolarHBondContact O-N 2.95Å; V22-R25 PolarHBondContact O-N 2.72Å; V22-R25 VanDerWaalsContact O-N 3.12Å; C23-R25 VanDerWaalsContact C-N 3.26Å; C23-R25 PolarHBondContact O-N 3.09Å; R25-Q28 WeakPolarHBondContact O-CB 3.23Å; R25-Q28 PolarHBondContact O-N 3.32Å; R25-L29 HydrophobicContact CG-CD1 4.45Å; R25-L29 WeakPolarHBondContact O-CG 3.47Å; R25-V155 HydrophobicContact CB-CG1 4.09Å; R25-V155 HydrophobicContact CG-CG1 4.31Å; R25-E156 IonicContact CZ-OE2 2.79Å; R25-E156 IonicContact NE-OE2 2.61Å; R25-E156 PolarHBondContact NE-OE2 2.78Å; R25-E156 IonicContact NH2-OE1 3.01Å; R25-E156 PolarHBondContact NH2-OE1 3.03Å; R25-E156 VanDerWaalsContact NH2-OE1 3.15Å; R25-E156 IonicContact NH2-OE2 3.13Å; R25-E156 PolarHBondContact NH2-OE2 2.99Å; R25-A159 HydrophobicContact CB-CB 3.91Å; R25-A159 HydrophobicContact CG-CB 3.43Å; R25-A159 VanDerWaalsContact CG-CB 3.43Å
26V98.8Very high98.2Very high0 Ų040.6 Ų40.60%022%0.22CC..Hα-helixtrans-62.5-45.61781690000111.5V22 C23 Q28 L29 A30 L32 I78 A159 I162 V163V22-V26 HydrophobicContact CG1-CG2 4.32Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 2.72Å; C23-V26 PolarHBondContact O-N 2.93Å; V26-Q28 PolarHBondContact O-N 3.37Å; V26-L29 CarbonylContact O-C 3.48Å; V26-L29 PolarHBondContact O-N 2.8Å; V26-A30 PolarHBondContact O-N 3.2Å; V26-L32 HydrophobicContact CG1-CD1 3.81Å; V26-I78 HydrophobicContact CB-CD1 3.85Å; V26-I78 HydrophobicContact CG1-CD1 3.63Å; V26-I78 HydrophobicContact CG2-CD1 4.15Å; V26-A159 HydrophobicContact CG2-CB 3.87Å; V26-I162 HydrophobicContact CG1-CG2 4.02Å; V26-I162 HydrophobicContact CG2-CB 3.95Å; V26-I162 HydrophobicContact CG2-CD1 3.95Å; V26-I162 HydrophobicContact CG2-CG2 3.91Å; V26-V163 HydrophobicContact CG1-CG2 4.16Å
27V98.5Very high98.2Very high47 Ų4740.5 Ų40.529%0.28522%0.218SC..Hα-helixtrans-70.6-15-178.2-610000114.1C23 N24 L29 A30 L32 L34 I78C23-V27 PolarHBondContact O-N 2.78Å; C23-V27 VanDerWaalsContact O-N 3.08Å; N24-V27 WeakPolarHBondContact O-CG2 3.45Å; V27-L29 VanDerWaalsContact C-N 3.3Å; V27-A30 CarbonylContact C-O 3.58Å; V27-A30 WeakPolarHBondContact CA-O 3.48Å; V27-L32 HydrophobicContact CG1-CB 4.3Å; V27-L32 VanDerWaalsContact CG1-O 3.28Å; V27-L32 WeakPolarHBondContact CG1-O 3.47Å; V27-L34 HydrophobicContact CG1-CB 3.93Å; V27-I78 HydrophobicContact CG1-CG2 3.54Å
28Q98.5Very high98Very high136 Ų13642.5 Ų42.564%0.63623%0.233SC*.Hα-helixtrans-74.1-22167.2-68.1170.32.200112.8N24 R25 V26N24-Q28 WeakPolarHBondContact O-CG 3.09Å; N24-Q28 PolarHBondContact O-N 2.92Å; R25-Q28 WeakPolarHBondContact O-CB 3.23Å; R25-Q28 PolarHBondContact O-N 3.32Å; V26-Q28 PolarHBondContact O-N 3.37Å
29L98.4Very high97.8Very high53 Ų5345.1 Ų45.128%0.27724%0.244SC..Hα-helixtrans-111.6-17.1-170.5-64.6177000113.6R25 V26 V27 A159 V163 R167R25-L29 HydrophobicContact CG-CD1 4.45Å; R25-L29 WeakPolarHBondContact O-CG 3.47Å; V26-L29 CarbonylContact O-C 3.48Å; V26-L29 PolarHBondContact O-N 2.8Å; V27-L29 VanDerWaalsContact C-N 3.3Å; L29-A159 HydrophobicContact CD1-CB 4.26Å; L29-V163 HydrophobicContact CB-CG1 4.35Å; L29-V163 HydrophobicContact CB-CG2 3.57Å; L29-V163 HydrophobicContact CD1-CG2 4.27Å; L29-R167 PolarHBondContact O-NH2 3.07Å
30A97.5Very high97.7Very high6 Ų645.1 Ų45.15%0.0525%0.245CC..SBendtrans-141.3146.2177.800000110.4V26 V27 L32 V163 Y166V26-A30 PolarHBondContact O-N 3.2Å; V27-A30 CarbonylContact C-O 3.58Å; V27-A30 WeakPolarHBondContact CA-O 3.48Å; A30-L32 HydrophobicContact CB-CD1 4.24Å; A30-L32 HydrophobicContact CB-CG 4.4Å; A30-L32 PolarHBondContact O-N 3.19Å; A30-V163 HydrophobicContact CB-CG1 4.33Å; A30-V163 HydrophobicContact CB-CG2 4.05Å; A30-Y166 HydrophobicContact CB-CD1 3.9Å; A30-Y166 HydrophobicContact CB-CE1 4.29Å; A30-Y166 HydrophobicContact CB-CG 4.33Å
31P96.8Very high97.5Very high95 Ų9542.2 Ų42.262%0.61723%0.227SC*.  trans-79.552.3-179.136.1-37.9000111.6N76 Y166P31-N76 PolarHBondContact O-ND2 2.91Å; P31-Y166 HydrophobicContact CG-CE1 4.18Å
32L98Very high97.2Very high11 Ų1145.8 Ų45.86%0.05823%0.231CC..PPolyproline II helixtrans-89.7141.7173.8-75.3164000109.5F9 V26 V27 A30 I78 Y166F9-L32 HydrophobicContact CD2-CD1 4.19Å; V26-L32 HydrophobicContact CG1-CD1 3.81Å; V27-L32 HydrophobicContact CG1-CB 4.3Å; V27-L32 VanDerWaalsContact CG1-O 3.28Å; V27-L32 WeakPolarHBondContact CG1-O 3.47Å; A30-L32 HydrophobicContact CB-CD1 4.24Å; A30-L32 HydrophobicContact CB-CG 4.4Å; A30-L32 PolarHBondContact O-N 3.19Å; L32-I78 HydrophobicContact CB-CB 4.3Å; L32-I78 HydrophobicContact CB-CG2 3.95Å; L32-I78 HydrophobicContact CD1-CB 4.31Å; L32-Y166 HydrophobicContact CD1-CD2 3.95Å; L32-Y166 HydrophobicContact CD1-CE2 4.49Å; L32-Y166 HydrophobicContact CD1-CG 4.3Å; L32-Y166 HydrophobicContact CD2-CD2 3.63Å; L32-Y166 HydrophobicContact CD2-CE2 3.51Å; L32-Y166 HydrophobicContact CG-CD2 3.84Å; L32-Y166 HydrophobicContact CG-CE2 3.87Å; L32-Y166 HydrophobicContact CG-CG 4.46Å
33E98.1Very high97Very high91 Ų9152.8 Ų52.843%0.42526%0.264SS..EExtended strand (participates in β ladder)trans-83.2121.3172.3-173.3170.7150.700110.2K71 N76 C77 I78E33-K71 WeakPolarHBondContact OE1-CE 3.49Å; E33-K71 IonicContact OE1-NZ 3.02Å; E33-K71 PolarHBondContact OE1-NZ 3.5Å; E33-K71 WeakPolarHBondContact OE2-CE 3.26Å; E33-K71 IonicContact OE2-NZ 2.62Å; E33-K71 PolarHBondContact OE2-NZ 2.94Å; E33-N76 PolarHBondContact N-O 3.29Å; E33-C77 CarbonylContact O-C 3.58Å; E33-C77 WeakPolarHBondContact O-CA 3.22Å; E33-I78 PolarHBondContact O-N 2.9Å
34L98.5Very high96.8Very high55 Ų5556.6 Ų56.629%0.28828%0.282SS..EExtended strand (participates in β ladder)trans-78.4124.8176.9176.856.3000110.7C23 N24 V27 I78 D80C23-L34 HydrophobicContact CB-CD1 3.66Å; C23-L34 HydrophobicContact CB-CD2 4.48Å; N24-L34 VanDerWaalsContact OD1-CD2 3.26Å; N24-L34 WeakPolarHBondContact OD1-CD2 3.39Å; V27-L34 HydrophobicContact CG1-CB 3.93Å; L34-I78 WeakPolarHBondContact CA-O 3.35Å; L34-I78 HydrophobicContact CB-CG2 4.31Å; L34-I78 HydrophobicContact CD1-CG2 4.1Å; L34-D80 HydrophobicContact CD1-CB 4.17Å
35I98.1Very high96.6Very high14 Ų1455.3 Ų55.37%0.07229%0.285CS..EExtended strand (participates in β ladder)trans-116.8104.8170.6-55.9176.6000108.1L37 L40 V68 K71 L72 C77 I78 V79 D80I35-L37 HydrophobicContact CG2-CD2 3.67Å; I35-L37 HydrophobicContact CG2-CG 4.47Å; I35-L40 HydrophobicContact CG2-CD1 4.18Å; I35-V68 HydrophobicContact CG2-CG1 4.2Å; I35-K71 HydrophobicContact CD1-CG 4Å; I35-L72 HydrophobicContact CD1-CD2 4.14Å; I35-C77 HydrophobicContact CD1-CB 4.02Å; I35-I78 PolarHBondContact N-O 2.94Å; I35-V79 WeakPolarHBondContact O-CA 3.48Å; I35-D80 PolarHBondContact O-N 3.1Å
36N97.8Very high96.4Very high27 Ų2753.6 Ų53.614%0.14428%0.279CS..EExtended strand (participates in β ladder)trans-89.8105.5170.8-176.2-59.7000109.7S38 N39 L40 D80N36-S38 PolarHBondContact OD1-N 2.91Å; N36-N39 HydrophobicContact CB-CB 4.27Å; N36-N39 PolarHBondContact O-N 3.29Å; N36-N39 WeakPolarHBondContact OD1-CB 3.37Å; N36-N39 PolarHBondContact OD1-N 3.32Å; N36-L40 WeakPolarHBondContact O-CB 3.2Å; N36-L40 PolarHBondContact O-N 2.7Å; N36-D80 HydrophobicContact CB-CB 4.31Å; N36-D80 PolarHBondContact ND2-OD2 3.46Å
37L96.4Very high96Very high1 Ų156.8 Ų56.81%0.00530%0.296CS..Hα-helixtrans-70.3-33.8-173.4-76.4-162.7000113.4I35 N39 L40 A41 L64 V68 V79 D80 Y81 I86 F87I35-L37 HydrophobicContact CG2-CD2 3.67Å; I35-L37 HydrophobicContact CG2-CG 4.47Å; L37-N39 VanDerWaalsContact C-N 3.32Å; L37-N39 PolarHBondContact O-N 2.74Å; L37-L40 PolarHBondContact O-N 3Å; L37-A41 WeakPolarHBondContact O-CB 3.48Å; L37-A41 PolarHBondContact O-N 2.94Å; L37-L64 HydrophobicContact CB-CD1 4.48Å; L37-L64 HydrophobicContact CB-CD2 3.95Å; L37-L64 HydrophobicContact CB-CG 4.49Å; L37-L64 HydrophobicContact CD1-CD2 4.06Å; L37-L64 HydrophobicContact CD1-CG 4.29Å; L37-L64 HydrophobicContact CD2-CD1 4.02Å; L37-L64 HydrophobicContact CD2-CG 4.15Å; L37-L64 HydrophobicContact CG-CD2 4.41Å; L37-V68 HydrophobicContact CD2-CB 4.41Å; L37-V68 HydrophobicContact CD2-CG1 3.66Å; L37-V68 HydrophobicContact CD2-CG2 4.12Å; L37-V79 HydrophobicContact CD1-CG1 3.99Å; L37-V79 HydrophobicContact CG-CG1 3.78Å; L37-D80 PolarHBondContact N-O 3.43Å; L37-Y81 HydrophobicContact CB-CD2 3.42Å; L37-Y81 VanDerWaalsContact CB-CD2 3.42Å; L37-Y81 HydrophobicContact CB-CE2 4.01Å; L37-Y81 HydrophobicContact CB-CG 3.86Å; L37-Y81 HydrophobicContact CD1-CD1 4.13Å; L37-Y81 HydrophobicContact CD1-CD2 4.22Å; L37-Y81 HydrophobicContact CD1-CG 3.89Å; L37-Y81 HydrophobicContact CG-CD2 4.39Å; L37-Y81 HydrophobicContact CG-CG 4.37Å; L37-I86 HydrophobicContact CD1-CD1 3.79Å; L37-F87 HydrophobicContact CD1-CE1 4.03Å; L37-F87 HydrophobicContact CD1-CE2 4.35Å; L37-F87 HydrophobicContact CD1-CZ 3.4Å; L37-F87 VanDerWaalsContact CD1-CZ 3.4Å
38S93.5Very high95.6Very high43 Ų4359.4 Ų59.430%0.30130%0.304SS..Hα-helixtrans-65.7-35.7176.7-60.80000112.3N36 R42N36-S38 PolarHBondContact OD1-N 2.91Å; S38-R42 PolarHBondContact O-N 3.21Å
39N94.9Very high95.2Very high66 Ų6661 Ų6135%0.35331%0.311SS..Hα-helixtrans-71.3-45.2173.5-71.3-12000111.3N36 L37 A41 R42 E43N36-N39 HydrophobicContact CB-CB 4.27Å; N36-N39 PolarHBondContact O-N 3.29Å; N36-N39 WeakPolarHBondContact OD1-CB 3.37Å; N36-N39 PolarHBondContact OD1-N 3.32Å; L37-N39 VanDerWaalsContact C-N 3.32Å; L37-N39 PolarHBondContact O-N 2.74Å; N39-A41 VanDerWaalsContact C-N 3.31Å; N39-A41 PolarHBondContact O-N 3.41Å; N39-R42 WeakPolarHBondContact O-CB 3.14Å; N39-R42 PolarHBondContact O-N 3.39Å; N39-R42 VanDerWaalsContact O-N 3.12Å; N39-R42 PolarHBondContact OD1-NH1 3.28Å; N39-E43 WeakPolarHBondContact O-CB 3.24Å; N39-E43 WeakPolarHBondContact O-CG 3.23Å; N39-E43 PolarHBondContact O-N 2.91Å
40L95.5Very high94.7Very high21 Ų2163.3 Ų63.311%0.1132%0.319CS..Hα-helixtrans-58.2-44.8178.6-160.9155.3000111.5I35 N36 L37 R42 E43 H44 F46 L64 Y67 V68I35-L40 HydrophobicContact CG2-CD1 4.18Å; N36-L40 WeakPolarHBondContact O-CB 3.2Å; N36-L40 PolarHBondContact O-N 2.7Å; L37-L40 PolarHBondContact O-N 3Å; L40-R42 VanDerWaalsContact C-N 3.32Å; L40-R42 PolarHBondContact O-N 3.37Å; L40-E43 PolarHBondContact O-N 3.03Å; L40-H44 WeakPolarHBondContact O-CB 3.47Å; L40-H44 PolarHBondContact O-N 3.48Å; L40-H44 PolarHBondContact O-ND1 2.88Å; L40-F46 HydrophobicContact CD2-CD2 3.88Å; L40-F46 HydrophobicContact CD2-CE2 3.49Å; L40-F46 VanDerWaalsContact CD2-CE2 3.49Å; L40-L64 HydrophobicContact CB-CD1 4.23Å; L40-L64 HydrophobicContact CD2-CD1 3.59Å; L40-L64 HydrophobicContact CG-CD1 4.44Å; L40-Y67 HydrophobicContact CD1-CD1 3.87Å; L40-Y67 HydrophobicContact CD1-CE1 3.81Å; L40-Y67 HydrophobicContact CD2-CD1 3.38Å; L40-Y67 HydrophobicContact CD2-CE1 3.7Å; L40-Y67 HydrophobicContact CD2-CG 4.18Å; L40-Y67 HydrophobicContact CG-CD1 4.15Å; L40-Y67 HydrophobicContact CG-CE1 4.08Å; L40-V68 HydrophobicContact CD1-CG1 3.77Å
41A94.5Very high94.2Very high1 Ų165.1 Ų65.11%0.00833%0.328CS..Hα-helixtrans-59.4-41.817700000112.3L37 N39 G45 F46 V59 L64L37-A41 WeakPolarHBondContact O-CB 3.48Å; L37-A41 PolarHBondContact O-N 2.94Å; N39-A41 VanDerWaalsContact C-N 3.31Å; N39-A41 PolarHBondContact O-N 3.41Å; A41-G45 CarbonylContact O-C 3.49Å; A41-G45 WeakPolarHBondContact O-CA 3.45Å; A41-G45 PolarHBondContact O-N 2.95Å; A41-G45 VanDerWaalsContact O-N 3.07Å; A41-F46 HydrophobicContact CB-CB 4.36Å; A41-F46 PolarHBondContact O-N 3.48Å; A41-V59 HydrophobicContact CB-CG1 3.87Å; A41-V59 HydrophobicContact CB-CG2 4.32Å; A41-L64 HydrophobicContact CB-CD1 4.09Å; A41-L64 HydrophobicContact CB-CD2 4.25Å
42R92.8Very high93.5Very high158 Ų15866.6 Ų66.660%0.59633%0.331SS*.Hα-helixtrans-67.9-46.3177.3-170.6-173.1-54.6995.4112S38 N39 L40 H44 G45S38-R42 PolarHBondContact O-N 3.21Å; N39-R42 WeakPolarHBondContact O-CB 3.14Å; N39-R42 PolarHBondContact O-N 3.39Å; N39-R42 VanDerWaalsContact O-N 3.12Å; N39-R42 PolarHBondContact OD1-NH1 3.28Å; L40-R42 VanDerWaalsContact C-N 3.32Å; L40-R42 PolarHBondContact O-N 3.37Å; R42-H44 VanDerWaalsContact C-N 3.34Å; R42-H44 PolarHBondContact O-N 3.01Å; R42-G45 PolarHBondContact O-N 2.84Å
43E95.1Very high92.9Very high146 Ų14670.5 Ų70.568%0.68236%0.355SS*.Hα-helixtrans-64.8-37.3-177.4-73.7169.2-169.800112.5N39 L40N39-E43 WeakPolarHBondContact O-CB 3.24Å; N39-E43 WeakPolarHBondContact O-CG 3.23Å; N39-E43 PolarHBondContact O-N 2.91Å; L40-E43 PolarHBondContact O-N 3.03Å
44H94.7Very high92.1Very high81 Ų8169.4 Ų69.438%0.37535%0.349SS..THydrogen-bonded Turntrans-97.31.3-177.8-61.476.5000113.3L40 R42 F46 Y67L40-H44 WeakPolarHBondContact O-CB 3.47Å; L40-H44 PolarHBondContact O-N 3.48Å; L40-H44 PolarHBondContact O-ND1 2.88Å; R42-H44 VanDerWaalsContact C-N 3.34Å; R42-H44 PolarHBondContact O-N 3.01Å; H44-F46 VanDerWaalsContact C-N 3.27Å; H44-F46 HydrophobicContact CB-CD1 3.94Å; H44-F46 HydrophobicContact CB-CD2 3.9Å; H44-F46 HydrophobicContact CB-CE1 3.59Å; H44-F46 HydrophobicContact CB-CE2 3.56Å; H44-F46 HydrophobicContact CB-CG 4.09Å; H44-F46 HydrophobicContact CB-CZ 3.39Å; H44-F46 AromaticContact CG-CZ 3.95Å; H44-F46 PolarHBondContact O-N 3.45Å; H44-Y67 AromaticContact CD2-CZ 3.88Å; H44-Y67 AromaticContact NE2-CZ 3.5Å; H44-Y67 PolarHBondContact NE2-OH 2.82Å; H44-Y67 VanDerWaalsContact NE2-OH 3.09Å
45G93Very high91.4Very high45 Ų4573 Ų7346%0.46437%0.365SS..THydrogen-bonded Turntrans62.632.6-178.500000113.4A41 R42 L47A41-G45 CarbonylContact O-C 3.49Å; A41-G45 WeakPolarHBondContact O-CA 3.45Å; A41-G45 PolarHBondContact O-N 2.95Å; A41-G45 VanDerWaalsContact O-N 3.07Å; R42-G45 PolarHBondContact O-N 2.84Å; G45-L47 PolarHBondContact O-N 3.12Å
46F94.3Very high90.7Very high28 Ų2874.3 Ų74.312%0.12337%0.374CS..  trans-77.368.1173.7-56.6-28.8000109.8L40 A41 H44 D60 K63 L64 Y67L40-F46 HydrophobicContact CD2-CD2 3.88Å; L40-F46 HydrophobicContact CD2-CE2 3.49Å; L40-F46 VanDerWaalsContact CD2-CE2 3.49Å; A41-F46 HydrophobicContact CB-CB 4.36Å; A41-F46 PolarHBondContact O-N 3.48Å; H44-F46 VanDerWaalsContact C-N 3.27Å; H44-F46 HydrophobicContact CB-CD1 3.94Å; H44-F46 HydrophobicContact CB-CD2 3.9Å; H44-F46 HydrophobicContact CB-CE1 3.59Å; H44-F46 HydrophobicContact CB-CE2 3.56Å; H44-F46 HydrophobicContact CB-CG 4.09Å; H44-F46 HydrophobicContact CB-CZ 3.39Å; H44-F46 AromaticContact CG-CZ 3.95Å; H44-F46 PolarHBondContact O-N 3.45Å; F46-D60 HydrophobicContact CB-CB 4.32Å; F46-D60 PolarHBondContact O-N 3.48Å; F46-K63 HydrophobicContact CB-CB 4.36Å; F46-K63 HydrophobicContact CD1-CB 3.97Å; F46-K63 HydrophobicContact CD1-CD 4.33Å; F46-K63 HydrophobicContact CE1-CB 4.45Å; F46-K63 HydrophobicContact CG-CB 4.12Å; F46-L64 HydrophobicContact CD2-CB 4.21Å; F46-L64 HydrophobicContact CD2-CD1 3.83Å; F46-L64 HydrophobicContact CE2-CD1 4.44Å; F46-Y67 HydrophobicContact CE2-CD1 4.15Å; F46-Y67 HydrophobicContact CE2-CD2 4.13Å; F46-Y67 AromaticContact CE2-CG 3.7Å; F46-Y67 HydrophobicContact CE2-CG 3.7Å; F46-Y67 AromaticContact CZ-CD2 3.78Å; F46-Y67 HydrophobicContact CZ-CD2 3.78Å; F46-Y67 HydrophobicContact CZ-CE2 4.5Å; F46-Y67 AromaticContact CZ-CG 3.84Å; F46-Y67 HydrophobicContact CZ-CG 3.84Å
47L90.8Very high90Very high67 Ų6775.9 Ų75.935%0.35139%0.386SS..EExtended strand (participates in β ladder)trans-125.2140-176.6-55174.8000109.1G45 P57 V58 V59G45-L47 PolarHBondContact O-N 3.12Å; L47-P57 HydrophobicContact CB-CB 4.04Å; L47-P57 HydrophobicContact CD1-CB 3.8Å; L47-P57 HydrophobicContact CD1-CG 4.08Å; L47-P57 HydrophobicContact CD2-CB 4Å; L47-P57 HydrophobicContact CG-CB 4.15Å; L47-V58 CarbonylContact C-O 3.57Å; L47-V58 VanDerWaalsContact CA-O 3.27Å; L47-V58 WeakPolarHBondContact CA-O 3.36Å; L47-V59 HydrophobicContact CD2-CG2 4.46Å
48K91Very high89.7Confident103 Ų10378.8 Ų78.845%0.44840%0.404SS..EExtended strand (participates in β ladder)trans-93.3-152.5169.2-66.9-179.5174171.60108.4V58 D60 D62K48-V58 HydrophobicContact CB-CB 4.2Å; K48-V58 HydrophobicContact CB-CG1 4.38Å; K48-V58 PolarHBondContact N-O 2.79Å; K48-D60 HydrophobicContact CD-CB 4.45Å; K48-D60 VanDerWaalsContact CE-OD1 3.23Å; K48-D60 WeakPolarHBondContact CE-OD1 3.49Å; K48-D60 HydrophobicContact CG-CB 3.75Å; K48-D60 IonicContact NZ-OD1 2.71Å; K48-D62 IonicContact NZ-OD2 3.15Å; K48-D62 PolarHBondContact NZ-OD2 2.71Å
49E88.9Confident89.6Confident169 Ų16978.3 Ų78.379%0.7940%0.399SS*.EExtended strand (participates in β ladder)trans-61.9158.4179.2-57.6-178.2-170.900111.9V58E49-V58 WeakPolarHBondContact O-CB 3.44Å; E49-V58 WeakPolarHBondContact O-CG2 3.21Å; E49-V58 PolarHBondContact O-N 3.39Å
50F87.9Confident89.6Confident101 Ų10175.8 Ų75.844%0.44339%0.386SS..EExtended strand (participates in β ladder)trans-75.6131.1176.3-171.7-96000109.8D52 Q55 P57F50-D52 WeakPolarHBondContact CD1-OD1 3.28Å; F50-D52 PolarHBondContact O-N 2.99Å; F50-Q55 VanDerWaalsContact CZ-CA 3.47Å; F50-Q55 HydrophobicContact CZ-CB 4.21Å; F50-P57 HydrophobicContact CD2-CG 4.2Å
51D86.9Confident89.5Confident45 Ų4577.6 Ų77.624%0.24139%0.393CS..EExtended strand (participates in β ladder)trans-83.6104.1173-168.3-48.7000109.3T53 F54 Q55 C56 V58D51-T53 PolarHBondContact O-N 2.9Å; D51-T53 VanDerWaalsContact OD1-CA 3.31Å; D51-T53 WeakPolarHBondContact OD1-CA 3.49Å; D51-T53 WeakPolarHBondContact OD1-CB 3.45Å; D51-T53 PolarHBondContact OD1-N 3.41Å; D51-F54 HydrophobicContact CB-CB 4.48Å; D51-F54 PolarHBondContact O-N 3.42Å; D51-F54 PolarHBondContact OD1-N 3.12Å; D51-F54 WeakPolarHBondContact OD2-CD2 3.28Å; D51-Q55 VanDerWaalsContact O-CA 3.27Å; D51-Q55 WeakPolarHBondContact O-CA 3.34Å; D51-Q55 PolarHBondContact O-N 3.37Å; D51-C56 VanDerWaalsContact CB-O 3.24Å; D51-C56 WeakPolarHBondContact CB-O 3.34Å; D51-C56 PolarHBondContact N-O 3.35Å; D51-C56 PolarHBondContact O-N 3.03Å; D51-V58 HydrophobicContact CB-CG2 3.9Å
52D83.7Confident89.5Confident126 Ų12682.7 Ų82.767%0.67442%0.42SS*.THydrogen-bonded Turntrans-64-24.5177.8-73.3-37.2000112.9F50 Q55F50-D52 WeakPolarHBondContact CD1-OD1 3.28Å; F50-D52 PolarHBondContact O-N 2.99Å; D52-Q55 PolarHBondContact O-NE2 2.87Å
53T84Confident89.6Confident93 Ų9380.3 Ų80.357%0.57141%0.414SS*.THydrogen-bonded Turntrans-76.5-43.1-180-55.20000111.2D51 T117D51-T53 PolarHBondContact O-N 2.9Å; D51-T53 VanDerWaalsContact OD1-CA 3.31Å; D51-T53 WeakPolarHBondContact OD1-CA 3.49Å; D51-T53 WeakPolarHBondContact OD1-CB 3.45Å; D51-T53 PolarHBondContact OD1-N 3.41Å; T53-T117 HydrophobicContact CG2-CG2 3.88Å
54F82.8Confident89.6Confident68 Ų6873.4 Ų73.430%0.29838%0.382SS..THydrogen-bonded Turntrans-99.1-2.3-178.6-64.4-64.7000114.4D51 C56 T117 K118D51-F54 HydrophobicContact CB-CB 4.48Å; D51-F54 PolarHBondContact O-N 3.42Å; D51-F54 PolarHBondContact OD1-N 3.12Å; D51-F54 WeakPolarHBondContact OD2-CD2 3.28Å; F54-C56 VanDerWaalsContact C-N 3.26Å; F54-C56 PolarHBondContact O-N 3.35Å; F54-T117 HydrophobicContact CE1-CG2 4.3Å; F54-K118 HydrophobicContact CD1-CB 3.98Å; F54-K118 HydrophobicContact CD1-CG 4.16Å
55Q83.1Confident89.6Confident131 Ų13171.2 Ų71.261%0.61237%0.372SS*.THydrogen-bonded Turntrans53.842.9-179.4-63.8-70.8-6100112.1F50 D51 D52F50-Q55 VanDerWaalsContact CZ-CA 3.47Å; F50-Q55 HydrophobicContact CZ-CB 4.21Å; D51-Q55 VanDerWaalsContact O-CA 3.27Å; D51-Q55 WeakPolarHBondContact O-CA 3.34Å; D51-Q55 PolarHBondContact O-N 3.37Å; D52-Q55 PolarHBondContact O-NE2 2.87Å
56C82.8Confident89.7Confident40 Ų4073.1 Ų73.127%0.2738%0.378SS..EExtended strand (participates in β ladder)trans-148.4151.2176.560.20000112.4D51 F54 V58D51-C56 VanDerWaalsContact CB-O 3.24Å; D51-C56 WeakPolarHBondContact CB-O 3.34Å; D51-C56 PolarHBondContact N-O 3.35Å; D51-C56 PolarHBondContact O-N 3.03Å; F54-C56 VanDerWaalsContact C-N 3.26Å; F54-C56 PolarHBondContact O-N 3.35Å; C56-V58 PolarHBondContact O-N 2.88Å
57P84.2Confident89.8Confident60 Ų6077.7 Ų77.739%0.3940%0.395SS..EExtended strand (participates in β ladder)trans-60.4137.2171.8-21.733.4000112L47 F50L47-P57 HydrophobicContact CB-CB 4.04Å; L47-P57 HydrophobicContact CD1-CB 3.8Å; L47-P57 HydrophobicContact CD1-CG 4.08Å; L47-P57 HydrophobicContact CD2-CB 4Å; L47-P57 HydrophobicContact CG-CB 4.15Å; F50-P57 HydrophobicContact CD2-CG 4.2Å
58V90.1Very high90Very high62 Ų6274.7 Ų74.738%0.37638%0.379SS..EExtended strand (participates in β ladder)trans-72.5139.5170.7178.80000108.9L47 K48 E49 D51 C56L47-V58 CarbonylContact C-O 3.57Å; L47-V58 VanDerWaalsContact CA-O 3.27Å; L47-V58 WeakPolarHBondContact CA-O 3.36Å; K48-V58 HydrophobicContact CB-CB 4.2Å; K48-V58 HydrophobicContact CB-CG1 4.38Å; K48-V58 PolarHBondContact N-O 2.79Å; E49-V58 WeakPolarHBondContact O-CB 3.44Å; E49-V58 WeakPolarHBondContact O-CG2 3.21Å; E49-V58 PolarHBondContact O-N 3.39Å; D51-V58 HydrophobicContact CB-CG2 3.9Å; C56-V58 PolarHBondContact O-N 2.88Å
59V91.4Very high90.2Very high34 Ų3472.7 Ų72.721%0.20637%0.372CS..EExtended strand (participates in β ladder)trans-76.4135.1178.3174.80000110.3A41 L47 E61 L64A41-V59 HydrophobicContact CB-CG1 3.87Å; A41-V59 HydrophobicContact CB-CG2 4.32Å; L47-V59 HydrophobicContact CD2-CG2 4.46Å; V59-E61 VanDerWaalsContact C-N 3.33Å; V59-E61 HydrophobicContact CB-CG 4.46Å; V59-E61 HydrophobicContact CG1-CG 4.1Å; V59-E61 PolarHBondContact O-N 3.45Å; V59-E61 VanDerWaalsContact O-N 3.09Å; V59-L64 HydrophobicContact CG1-CD2 3.72Å
60D94.3Very high90.5Very high13 Ų1372.3 Ų72.37%0.0737%0.367CS..  trans-81.282.4170.5-165.1-21.8000109.9F46 K48 D62 K63 L64F46-D60 HydrophobicContact CB-CB 4.32Å; F46-D60 PolarHBondContact O-N 3.48Å; K48-D60 HydrophobicContact CD-CB 4.45Å; K48-D60 VanDerWaalsContact CE-OD1 3.23Å; K48-D60 WeakPolarHBondContact CE-OD1 3.49Å; K48-D60 HydrophobicContact CG-CB 3.75Å; K48-D60 IonicContact NZ-OD1 2.71Å; D60-D62 VanDerWaalsContact C-N 3.26Å; D60-D62 PolarHBondContact O-N 2.85Å; D60-K63 HydrophobicContact CB-CB 4.31Å; D60-K63 HydrophobicContact CB-CD 4.42Å; D60-K63 PolarHBondContact O-N 2.88Å; D60-K63 PolarHBondContact OD1-N 2.86Å; D60-K63 WeakPolarHBondContact OD2-CD 3.5Å; D60-K63 WeakPolarHBondContact OD2-CE 3.44Å; D60-K63 WeakPolarHBondContact OD2-CG 3.47Å; D60-K63 IonicContact OD2-NZ 3.81Å; D60-K63 PolarHBondContact OD2-NZ 2.99Å; D60-L64 WeakPolarHBondContact O-CB 3.4Å; D60-L64 PolarHBondContact O-N 2.93Å
61E93.8Very high90.8Very high59 Ų5970.6 Ų70.628%0.27636%0.36SS..Hα-helixtrans-62-31.3-175.4-71.7-168148.900113.8V59 L64 F65 Y81 I86V59-E61 VanDerWaalsContact C-N 3.33Å; V59-E61 HydrophobicContact CB-CG 4.46Å; V59-E61 HydrophobicContact CG1-CG 4.1Å; V59-E61 PolarHBondContact O-N 3.45Å; V59-E61 VanDerWaalsContact O-N 3.09Å; E61-L64 PolarHBondContact O-N 2.82Å; E61-F65 WeakPolarHBondContact O-CB 3.39Å; E61-F65 PolarHBondContact O-N 2.93Å; E61-Y81 WeakPolarHBondContact OE1-CE1 3.35Å; E61-Y81 PolarHBondContact OE1-OH 3.27Å; E61-I86 HydrophobicContact CB-CG2 3.66Å; E61-I86 HydrophobicContact CG-CG2 3.91Å; E61-I86 WeakPolarHBondContact OE2-CG2 3.46Å
62D94.1Very high91.3Very high107 Ų10768.5 Ų68.557%0.57235%0.348SS*.Hα-helixtrans-64.5-46.9177.2-59.3-57.7000110.8K48 D60 S66K48-D62 IonicContact NZ-OD2 3.15Å; K48-D62 PolarHBondContact NZ-OD2 2.71Å; D60-D62 VanDerWaalsContact C-N 3.26Å; D60-D62 PolarHBondContact O-N 2.85Å; D62-S66 VanDerWaalsContact O-CB 3.24Å; D62-S66 WeakPolarHBondContact O-CB 3.37Å; D62-S66 PolarHBondContact O-N 3.38Å; D62-S66 PolarHBondContact O-OG 3.33Å
63K95.2Very high91.8Very high109 Ų10965.3 Ų65.347%0.47433%0.331SS..Hα-helixtrans-68.1-40.4175.3-70.5-175.1-169.5133.30111.7F46 D60 S66 Y67F46-K63 HydrophobicContact CB-CB 4.36Å; F46-K63 HydrophobicContact CD1-CB 3.97Å; F46-K63 HydrophobicContact CD1-CD 4.33Å; F46-K63 HydrophobicContact CE1-CB 4.45Å; F46-K63 HydrophobicContact CG-CB 4.12Å; D60-K63 HydrophobicContact CB-CB 4.31Å; D60-K63 HydrophobicContact CB-CD 4.42Å; D60-K63 PolarHBondContact O-N 2.88Å; D60-K63 PolarHBondContact OD1-N 2.86Å; D60-K63 WeakPolarHBondContact OD2-CD 3.5Å; D60-K63 WeakPolarHBondContact OD2-CE 3.44Å; D60-K63 WeakPolarHBondContact OD2-CG 3.47Å; D60-K63 IonicContact OD2-NZ 3.81Å; D60-K63 PolarHBondContact OD2-NZ 2.99Å; K63-S66 PolarHBondContact O-N 3.07Å; K63-Y67 WeakPolarHBondContact O-CB 3.43Å; K63-Y67 PolarHBondContact O-N 3.09Å
64L94.5Very high92.2Very high0 Ų066.4 Ų66.40%033%0.33CS..Hα-helixtrans-61.8-49.5179.6-176.162.5000111.3L37 L40 A41 F46 V59 D60 E61 Y67 V68 Y81L37-L64 HydrophobicContact CB-CD1 4.48Å; L37-L64 HydrophobicContact CB-CD2 3.95Å; L37-L64 HydrophobicContact CB-CG 4.49Å; L37-L64 HydrophobicContact CD1-CD2 4.06Å; L37-L64 HydrophobicContact CD1-CG 4.29Å; L37-L64 HydrophobicContact CD2-CD1 4.02Å; L37-L64 HydrophobicContact CD2-CG 4.15Å; L37-L64 HydrophobicContact CG-CD2 4.41Å; L40-L64 HydrophobicContact CB-CD1 4.23Å; L40-L64 HydrophobicContact CD2-CD1 3.59Å; L40-L64 HydrophobicContact CG-CD1 4.44Å; A41-L64 HydrophobicContact CB-CD1 4.09Å; A41-L64 HydrophobicContact CB-CD2 4.25Å; F46-L64 HydrophobicContact CD2-CB 4.21Å; F46-L64 HydrophobicContact CD2-CD1 3.83Å; F46-L64 HydrophobicContact CE2-CD1 4.44Å; V59-L64 HydrophobicContact CG1-CD2 3.72Å; D60-L64 WeakPolarHBondContact O-CB 3.4Å; D60-L64 PolarHBondContact O-N 2.93Å; E61-L64 PolarHBondContact O-N 2.82Å; L64-Y67 WeakPolarHBondContact O-CB 3.23Å; L64-Y67 PolarHBondContact O-N 2.82Å; L64-V68 WeakPolarHBondContact O-CG2 3.32Å; L64-V68 PolarHBondContact O-N 2.98Å; L64-Y81 HydrophobicContact CD2-CE2 4.27Å
65F95.4Very high92.8Very high36 Ų3663.5 Ų63.516%0.15832%0.319CS..Hα-helixtrans-63.2-46.4176.5-178-102.2000111.1E61 Y67 V68 E69 I86 F87 T91E61-F65 WeakPolarHBondContact O-CB 3.39Å; E61-F65 PolarHBondContact O-N 2.93Å; F65-Y67 PolarHBondContact O-N 3.28Å; F65-V68 PolarHBondContact O-N 3.06Å; F65-V68 VanDerWaalsContact O-N 3.07Å; F65-E69 HydrophobicContact CD1-CB 4.41Å; F65-E69 HydrophobicContact CE1-CB 4.03Å; F65-E69 HydrophobicContact CE1-CG 3.87Å; F65-E69 HydrophobicContact CZ-CB 4.16Å; F65-E69 HydrophobicContact CZ-CG 3.84Å; F65-E69 WeakPolarHBondContact O-CB 3.32Å; F65-E69 PolarHBondContact O-N 3.47Å; F65-I86 WeakPolarHBondContact CD2-O 3.15Å; F65-I86 VanDerWaalsContact CE2-O 3.23Å; F65-I86 WeakPolarHBondContact CE2-O 3.48Å; F65-F87 HydrophobicContact CD2-CD1 4.21Å; F65-F87 HydrophobicContact CE2-CD1 4.14Å; F65-T91 HydrophobicContact CE2-CG2 4.18Å; F65-T91 HydrophobicContact CZ-CG2 3.95Å
66S95Very high93.5Very high84 Ų8459.4 Ų59.459%0.58730%0.301SS*.Hα-helixtrans-55.7-36.4177-63.10000112.4D62 K63D62-S66 VanDerWaalsContact O-CB 3.24Å; D62-S66 WeakPolarHBondContact O-CB 3.37Å; D62-S66 PolarHBondContact O-N 3.38Å; D62-S66 PolarHBondContact O-OG 3.33Å; K63-S66 PolarHBondContact O-N 3.07Å
67Y95.2Very high94.2Very high124 Ų12457.5 Ų57.549%0.48629%0.288SS..Hα-helixtrans-69.1-40.9177.5-173.8-97.6000112.7L40 H44 F46 K63 L64 F65L40-Y67 HydrophobicContact CD1-CD1 3.87Å; L40-Y67 HydrophobicContact CD1-CE1 3.81Å; L40-Y67 HydrophobicContact CD2-CD1 3.38Å; L40-Y67 HydrophobicContact CD2-CE1 3.7Å; L40-Y67 HydrophobicContact CD2-CG 4.18Å; L40-Y67 HydrophobicContact CG-CD1 4.15Å; L40-Y67 HydrophobicContact CG-CE1 4.08Å; H44-Y67 AromaticContact CD2-CZ 3.88Å; H44-Y67 AromaticContact NE2-CZ 3.5Å; H44-Y67 PolarHBondContact NE2-OH 2.82Å; H44-Y67 VanDerWaalsContact NE2-OH 3.09Å; F46-Y67 HydrophobicContact CE2-CD1 4.15Å; F46-Y67 HydrophobicContact CE2-CD2 4.13Å; F46-Y67 AromaticContact CE2-CG 3.7Å; F46-Y67 HydrophobicContact CE2-CG 3.7Å; F46-Y67 AromaticContact CZ-CD2 3.78Å; F46-Y67 HydrophobicContact CZ-CD2 3.78Å; F46-Y67 HydrophobicContact CZ-CE2 4.5Å; F46-Y67 AromaticContact CZ-CG 3.84Å; F46-Y67 HydrophobicContact CZ-CG 3.84Å; K63-Y67 WeakPolarHBondContact O-CB 3.43Å; K63-Y67 PolarHBondContact O-N 3.09Å; L64-Y67 WeakPolarHBondContact O-CB 3.23Å; L64-Y67 PolarHBondContact O-N 2.82Å; F65-Y67 PolarHBondContact O-N 3.28Å
68V96.1Very high94.9Very high4 Ų454.7 Ų54.72%0.02427%0.27CS..Hα-helixtrans-92.8-16.9-175.4-57.70000114.3I35 L37 L40 L64 F65 K70 K71 L72I35-V68 HydrophobicContact CG2-CG1 4.2Å; L37-V68 HydrophobicContact CD2-CB 4.41Å; L37-V68 HydrophobicContact CD2-CG1 3.66Å; L37-V68 HydrophobicContact CD2-CG2 4.12Å; L40-V68 HydrophobicContact CD1-CG1 3.77Å; L64-V68 WeakPolarHBondContact O-CG2 3.32Å; L64-V68 PolarHBondContact O-N 2.98Å; F65-V68 PolarHBondContact O-N 3.06Å; F65-V68 VanDerWaalsContact O-N 3.07Å; V68-K70 PolarHBondContact O-N 3.25Å; V68-K71 WeakPolarHBondContact O-CA 3.48Å; V68-K71 WeakPolarHBondContact O-CB 3.34Å; V68-K71 PolarHBondContact O-N 3.36Å; V68-L72 HydrophobicContact CG2-CD1 3.88Å; V68-L72 HydrophobicContact CG2-CG 4.4Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 3.35Å
69E95.7Very high95.3Very high61 Ų6151.7 Ų51.729%0.28525%0.252SS..Hα-helixtrans-55.2-49.2-172.7-173.1-171.5-164.300111.6F65 K71 L72 L73 R90 T91F65-E69 HydrophobicContact CD1-CB 4.41Å; F65-E69 HydrophobicContact CE1-CB 4.03Å; F65-E69 HydrophobicContact CE1-CG 3.87Å; F65-E69 HydrophobicContact CZ-CB 4.16Å; F65-E69 HydrophobicContact CZ-CG 3.84Å; F65-E69 WeakPolarHBondContact O-CB 3.32Å; F65-E69 PolarHBondContact O-N 3.47Å; E69-K71 PolarHBondContact O-N 2.91Å; E69-L72 PolarHBondContact O-N 3.17Å; E69-L72 VanDerWaalsContact O-N 3.08Å; E69-L73 HydrophobicContact CG-CD1 4.01Å; E69-L73 HydrophobicContact CG-CG 4.23Å; E69-L73 WeakPolarHBondContact O-CB 3.05Å; E69-L73 WeakPolarHBondContact O-CG 3.38Å; E69-L73 PolarHBondContact O-N 3.15Å; E69-R90 IonicContact OE1-NH1 3.06Å; E69-T91 HydrophobicContact CG-CG2 4.3Å
70K93.6Very high95.6Very high161 Ų16150.3 Ų50.370%0.724%0.243SC*.Hα-helixtrans-57.1-36.1179.9-177.8177.8178.6-177.30112.1V68V68-K70 PolarHBondContact O-N 3.25Å
71K94.9Very high95.8Very high66 Ų6649.7 Ų49.729%0.28724%0.24SC..Hα-helixtrans-72.5-46.5177-176.267.1178.9-160.50110.7E33 I35 V68 E69 L73 Q74E33-K71 WeakPolarHBondContact OE1-CE 3.49Å; E33-K71 IonicContact OE1-NZ 3.02Å; E33-K71 PolarHBondContact OE1-NZ 3.5Å; E33-K71 WeakPolarHBondContact OE2-CE 3.26Å; E33-K71 IonicContact OE2-NZ 2.62Å; E33-K71 PolarHBondContact OE2-NZ 2.94Å; I35-K71 HydrophobicContact CD1-CG 4Å; V68-K71 WeakPolarHBondContact O-CA 3.48Å; V68-K71 WeakPolarHBondContact O-CB 3.34Å; V68-K71 PolarHBondContact O-N 3.36Å; E69-K71 PolarHBondContact O-N 2.91Å; K71-L73 PolarHBondContact O-N 3.08Å; K71-Q74 WeakPolarHBondContact O-CB 3.47Å; K71-Q74 PolarHBondContact O-N 3.45Å
72L96.4Very high95.8Very high0 Ų050 Ų500%024%0.241CC..Hα-helixtrans-61.5-33.9178.2-64.3178.7000112.1R4 N8 I35 V68 E69 Q74 G75 C77 V79 F87 T91R4-L72 WeakPolarHBondContact CD-O 2.99Å; R4-L72 PolarHBondContact NH1-O 2.87Å; N8-L72 WeakPolarHBondContact ND2-CA 3.33Å; N8-L72 WeakPolarHBondContact ND2-CB 3.47Å; N8-L72 WeakPolarHBondContact ND2-CD2 3.09Å; N8-L72 PolarHBondContact ND2-O 3.46Å; I35-L72 HydrophobicContact CD1-CD2 4.14Å; V68-L72 HydrophobicContact CG2-CD1 3.88Å; V68-L72 HydrophobicContact CG2-CG 4.4Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 3.35Å; E69-L72 PolarHBondContact O-N 3.17Å; E69-L72 VanDerWaalsContact O-N 3.08Å; L72-Q74 PolarHBondContact O-N 2.84Å; L72-G75 PolarHBondContact O-N 3.34Å; L72-G75 VanDerWaalsContact O-N 3.15Å; L72-C77 HydrophobicContact CD2-CB 4.03Å; L72-V79 HydrophobicContact CD2-CG2 3.66Å; L72-F87 HydrophobicContact CD1-CD1 4Å; L72-F87 HydrophobicContact CD1-CE1 3.87Å; L72-T91 HydrophobicContact CB-CG2 4.21Å
73L94.2Very high95.7Very high60 Ų6045.3 Ų45.331%0.31422%0.218SC..THydrogen-bonded Turntrans-66.3-13.4174.2-71174.6000114R4 E69 K71 R90 T91R4-L73 WeakPolarHBondContact CD-O 3.45Å; R4-L73 WeakPolarHBondContact CG-O 3.35Å; E69-L73 HydrophobicContact CG-CD1 4.01Å; E69-L73 HydrophobicContact CG-CG 4.23Å; E69-L73 WeakPolarHBondContact O-CB 3.05Å; E69-L73 WeakPolarHBondContact O-CG 3.38Å; E69-L73 PolarHBondContact O-N 3.15Å; K71-L73 PolarHBondContact O-N 3.08Å; L73-R90 HydrophobicContact CD2-CG 4.1Å; L73-T91 HydrophobicContact CD2-CG2 4.31Å
74Q93.6Very high95.6Very high116 Ų11640.1 Ų40.154%0.54220%0.195SC..THydrogen-bonded Turntrans-86.8-24.7173-63172.714.600112.7K71 L72K71-Q74 WeakPolarHBondContact O-CB 3.47Å; K71-Q74 PolarHBondContact O-N 3.45Å; L72-Q74 PolarHBondContact O-N 2.84Å
75G95.2Very high95.4Very high6 Ų645.2 Ų45.26%0.06222%0.222CC..  trans90.3-173.5-178.500000113.7K6 N8 L72 C77K6-G75 WeakPolarHBondContact O-CA 3.04Å; N8-G75 WeakPolarHBondContact OD1-CA 3.3Å; L72-G75 PolarHBondContact O-N 3.34Å; L72-G75 VanDerWaalsContact O-N 3.15Å; G75-C77 PolarHBondContact O-N 2.98Å; G75-C77 PolarHBondContact O-SG 3.33Å; G75-C77 VanDerWaalsContact O-SG 3.39Å
76N97Very high95.3Very high46 Ų4644.7 Ų44.725%0.24622%0.221CC..  trans63.530.7175.2-156.360.3000115.7K6 P7 N8 P31 E33 Y166K6-N76 HydrophobicContact CB-CB 3.65Å; K6-N76 HydrophobicContact CG-CB 4.19Å; P7-N76 VanDerWaalsContact O-CA 3.27Å; P7-N76 WeakPolarHBondContact O-CA 3.36Å; P7-N76 PolarHBondContact O-N 3.43Å; N8-N76 PolarHBondContact OD1-N 3.47Å; P31-N76 PolarHBondContact O-ND2 2.91Å; E33-N76 PolarHBondContact N-O 3.29Å; N76-Y166 WeakPolarHBondContact OD1-CE2 3.45Å; N76-Y166 PolarHBondContact OD1-OH 2.91Å
77C98.3Very high95.3Very high0 Ų040.9 Ų40.90%019%0.194CC..EExtended strand (participates in β ladder)trans-113.1150.7-179.7-57.60000112N8 F9 E33 I35 L72 G75N8-C77 CarbonylContact C-O 3.59Å; N8-C77 WeakPolarHBondContact CA-O 3.36Å; N8-C77 WeakPolarHBondContact OD1-CB 3.09Å; N8-C77 PolarHBondContact OD1-N 3.24Å; F9-C77 PolarHBondContact N-O 2.83Å; E33-C77 CarbonylContact O-C 3.58Å; E33-C77 WeakPolarHBondContact O-CA 3.22Å; I35-C77 HydrophobicContact CD1-CB 4.02Å; L72-C77 HydrophobicContact CD2-CB 4.03Å; G75-C77 PolarHBondContact O-N 2.98Å; G75-C77 PolarHBondContact O-SG 3.33Å; G75-C77 VanDerWaalsContact O-SG 3.39Å
78I98.7Very high95.3Very high0 Ų038.1 Ų38.10%019%0.19CC..EExtended strand (participates in β ladder)trans-118.9124.8161.7-175.5165.7000108.7F9 I11 V26 V27 L32 E33 L34 I35 I162F9-I78 HydrophobicContact CB-CG1 4.44Å; F9-I78 CarbonylContact O-C 3.59Å; F9-I78 WeakPolarHBondContact O-CA 3.43Å; I11-I78 HydrophobicContact CD1-CD1 4.02Å; I11-I78 HydrophobicContact CD1-CG1 4.43Å; I11-I78 HydrophobicContact CG1-CD1 3.74Å; I11-I78 HydrophobicContact CG1-CG1 3.91Å; V26-I78 HydrophobicContact CB-CD1 3.85Å; V26-I78 HydrophobicContact CG1-CD1 3.63Å; V26-I78 HydrophobicContact CG2-CD1 4.15Å; V27-I78 HydrophobicContact CG1-CG2 3.54Å; L32-I78 HydrophobicContact CB-CB 4.3Å; L32-I78 HydrophobicContact CB-CG2 3.95Å; L32-I78 HydrophobicContact CD1-CB 4.31Å; E33-I78 PolarHBondContact O-N 2.9Å; L34-I78 WeakPolarHBondContact CA-O 3.35Å; L34-I78 HydrophobicContact CB-CG2 4.31Å; L34-I78 HydrophobicContact CD1-CG2 4.1Å; I35-I78 PolarHBondContact N-O 2.94Å; I78-I162 HydrophobicContact CD1-CG2 4.42Å
79V98.7Very high95.2Very high0 Ų041.2 Ų41.20%021%0.21CC..EExtended strand (participates in β ladder)trans-103.8125.8-174.1-172.80000109.3F9 L10 I11 I35 L37 L72 F87 I92F9-V79 PolarHBondContact O-N 2.85Å; L10-V79 HydrophobicContact CD1-CB 3.95Å; L10-V79 HydrophobicContact CD1-CG1 3.96Å; I11-V79 PolarHBondContact N-O 2.65Å; I35-V79 WeakPolarHBondContact O-CA 3.48Å; L37-V79 HydrophobicContact CD1-CG1 3.99Å; L37-V79 HydrophobicContact CG-CG1 3.78Å; L72-V79 HydrophobicContact CD2-CG2 3.66Å; V79-F87 HydrophobicContact CG1-CE1 4.26Å; V79-F87 HydrophobicContact CG1-CZ 3.73Å; V79-I92 HydrophobicContact CG2-CD1 4.03Å
80D98.5Very high95Very high4 Ų444.1 Ų44.12%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-101107171.3-178.93.5000108.6K19 T20 C23 L34 I35 N36 L37K19-D80 VanDerWaalsContact CB-OD1 3.3Å; K19-D80 WeakPolarHBondContact CB-OD1 3.47Å; T20-D80 WeakPolarHBondContact CA-OD2 3.32Å; T20-D80 VanDerWaalsContact CB-OD2 3.22Å; T20-D80 WeakPolarHBondContact CB-OD2 3.38Å; T20-D80 PolarHBondContact N-OD2 3.45Å; T20-D80 PolarHBondContact OG1-OD2 3.38Å; C23-D80 HydrophobicContact CB-CB 4.4Å; L34-D80 HydrophobicContact CD1-CB 4.17Å; I35-D80 PolarHBondContact O-N 3.1Å; N36-D80 HydrophobicContact CB-CB 4.31Å; N36-D80 PolarHBondContact ND2-OD2 3.46Å; L37-D80 PolarHBondContact N-O 3.43Å
81Y97.5Very high95.1Very high1 Ų136.4 Ų36.40%0.00419%0.185CC..  trans-150.4169.3174.9-162-130.4000110.8I11 A12 K19 L37 E61 L64 A83 I86 F87I11-Y81 PolarHBondContact O-N 2.88Å; A12-Y81 WeakPolarHBondContact CA-O 3.4Å; K19-Y81 WeakPolarHBondContact CD-O 3.4Å; K19-Y81 WeakPolarHBondContact CE-O 3.35Å; L37-Y81 HydrophobicContact CB-CD2 3.42Å; L37-Y81 VanDerWaalsContact CB-CD2 3.42Å; L37-Y81 HydrophobicContact CB-CE2 4.01Å; L37-Y81 HydrophobicContact CB-CG 3.86Å; L37-Y81 HydrophobicContact CD1-CD1 4.13Å; L37-Y81 HydrophobicContact CD1-CD2 4.22Å; L37-Y81 HydrophobicContact CD1-CG 3.89Å; L37-Y81 HydrophobicContact CG-CD2 4.39Å; L37-Y81 HydrophobicContact CG-CG 4.37Å; E61-Y81 WeakPolarHBondContact OE1-CE1 3.35Å; E61-Y81 PolarHBondContact OE1-OH 3.27Å; L64-Y81 HydrophobicContact CD2-CE2 4.27Å; Y81-A83 HydrophobicContact CD1-CB 4.16Å; Y81-A83 WeakPolarHBondContact CD1-O 3.46Å; Y81-A83 HydrophobicContact CE1-CB 3.88Å; Y81-I86 HydrophobicContact CD1-CD1 4.02Å; Y81-I86 HydrophobicContact CE1-CD1 3.79Å; Y81-I86 HydrophobicContact CE1-CG1 4.47Å; Y81-F87 HydrophobicContact CD1-CE2 4.24Å
82H94.4Very high95.2Very high64 Ų6433.3 Ų33.330%0.29617%0.171SC..SBendtrans-92.3-35.7-179.661.5-75.3000112.4G13 L131G13-H82 PolarHBondContact N-O 3.37Å; H82-L131 VanDerWaalsContact O-CD1 3.31Å; H82-L131 WeakPolarHBondContact O-CD1 3.47Å; H82-L131 WeakPolarHBondContact O-CD2 3.26Å
83A91.7Very high95.2Very high10 Ų1034.3 Ų34.38%0.08318%0.177CC..  trans-102.5165.7-178.200000113.4Y81Y81-A83 HydrophobicContact CD1-CB 4.16Å; Y81-A83 WeakPolarHBondContact CD1-O 3.46Å; Y81-A83 HydrophobicContact CE1-CB 3.88Å
84C92Very high95.4Very high0 Ų031.8 Ų31.80%017%0.165CC..SBendtrans-118.2-29.2-176-57.90000112.8L10 A12 I86 F87 E134 A135 F139L10-C84 HydrophobicContact CD2-CB 4.22Å; A12-C84 VanDerWaalsContact CB-SG 3.54Å; C84-I86 PolarHBondContact O-N 2.95Å; C84-I86 VanDerWaalsContact O-N 3.12Å; C84-F87 WeakPolarHBondContact O-CD2 3.43Å; C84-F87 PolarHBondContact O-N 2.8Å; C84-E134 WeakPolarHBondContact CA-OE1 3.27Å; C84-E134 HydrophobicContact CB-CG 4.39Å; C84-E134 PolarHBondContact N-OE1 3.04Å; C84-A135 HydrophobicContact CB-CB 4.42Å; C84-F139 HydrophobicContact CB-CE2 4.31Å
85D91Very high95.6Very high106 Ų10626.3 Ų26.357%0.56714%0.139SC*.THydrogen-bonded Turntrans-61-25.2-169.4-81.8-9.8000115.3F87 E134D85-F87 PolarHBondContact O-N 2.87Å; D85-E134 VanDerWaalsContact CG-CG 3.48Å; D85-E134 PolarHBondContact N-OE1 2.83Å; D85-E134 WeakPolarHBondContact OD1-CG 3.41Å
86I93.2Very high95.8Very high25 Ų2526 Ų2613%0.12814%0.136CC..THydrogen-bonded Turntrans-73.1-11.9178.170169.4000112.6L37 E61 F65 Y81 C84L37-I86 HydrophobicContact CD1-CD1 3.79Å; E61-I86 HydrophobicContact CB-CG2 3.66Å; E61-I86 HydrophobicContact CG-CG2 3.91Å; E61-I86 WeakPolarHBondContact OE2-CG2 3.46Å; F65-I86 WeakPolarHBondContact CD2-O 3.15Å; F65-I86 VanDerWaalsContact CE2-O 3.23Å; F65-I86 WeakPolarHBondContact CE2-O 3.48Å; Y81-I86 HydrophobicContact CD1-CD1 4.02Å; Y81-I86 HydrophobicContact CE1-CD1 3.79Å; Y81-I86 HydrophobicContact CE1-CG1 4.47Å; C84-I86 PolarHBondContact O-N 2.95Å; C84-I86 VanDerWaalsContact O-N 3.12Å
87F96.2Very high95.9Very high5 Ų523.9 Ų23.92%0.02212%0.124CC..  trans-108.2163.8-176.7-55-76.1000111.8L10 L37 F65 L72 V79 Y81 C84 D85 I92 F139L10-F87 HydrophobicContact CD1-CD2 4.37Å; L10-F87 HydrophobicContact CD1-CE2 3.71Å; L10-F87 HydrophobicContact CD1-CZ 4.15Å; L10-F87 HydrophobicContact CD2-CD2 3.65Å; L10-F87 HydrophobicContact CD2-CE2 3.8Å; L10-F87 HydrophobicContact CG-CE2 4.4Å; L37-F87 HydrophobicContact CD1-CE1 4.03Å; L37-F87 HydrophobicContact CD1-CE2 4.35Å; L37-F87 HydrophobicContact CD1-CZ 3.4Å; L37-F87 VanDerWaalsContact CD1-CZ 3.4Å; F65-F87 HydrophobicContact CD2-CD1 4.21Å; F65-F87 HydrophobicContact CE2-CD1 4.14Å; L72-F87 HydrophobicContact CD1-CD1 4Å; L72-F87 HydrophobicContact CD1-CE1 3.87Å; V79-F87 HydrophobicContact CG1-CE1 4.26Å; V79-F87 HydrophobicContact CG1-CZ 3.73Å; Y81-F87 HydrophobicContact CD1-CE2 4.24Å; C84-F87 WeakPolarHBondContact O-CD2 3.43Å; C84-F87 PolarHBondContact O-N 2.8Å; D85-F87 PolarHBondContact O-N 2.87Å; F87-I92 HydrophobicContact CB-CG1 3.73Å; F87-I92 HydrophobicContact CD1-CD1 4.2Å; F87-I92 HydrophobicContact CD1-CG1 3.86Å; F87-I92 HydrophobicContact CG-CG1 3.82Å; F87-F139 HydrophobicContact CB-CE2 4.5Å; F87-F139 HydrophobicContact CB-CZ 3.85Å
88T94.4Very high95.9Very high65 Ų6523.9 Ų23.940%0.39912%0.124SC..  trans-134.1165.7174.165.80000110.7R90 T91 I92 F139T88-R90 PolarHBondContact O-N 2.65Å; T88-R90 WeakPolarHBondContact OG1-CB 3.44Å; T88-R90 PolarHBondContact OG1-N 3.22Å; T88-T91 PolarHBondContact N-OG1 3.14Å; T88-T91 PolarHBondContact O-N 3.25Å; T88-T91 PolarHBondContact O-OG1 2.75Å; T88-T91 VanDerWaalsContact O-OG1 3.1Å; T88-I92 PolarHBondContact O-N 3.12Å; T88-F139 VanDerWaalsContact C-CE1 3.49Å
89P93.4Very high95.9Very high70 Ų7026.2 Ų26.246%0.45513%0.133SC..THydrogen-bonded Turntrans-57.8-10.4171.2-27.335.9000114.7I92 F139P89-I92 WeakPolarHBondContact CA-O 2.9Å; P89-F139 HydrophobicContact CG-CD1 3.92Å; P89-F139 HydrophobicContact CG-CE1 4.23Å
90R92.4Very high95.9Very high121 Ų12126.5 Ų26.546%0.45714%0.135SC..THydrogen-bonded Turntrans-76.8-30.9172.7-173.1-179.6175.2-144-5.6112.4M1 R4 E69 L73 T88M1-R90 VanDerWaalsContact CE-NH2 3.32Å; R4-R90 PolarHBondContact NH2-O 2.87Å; E69-R90 IonicContact OE1-NH1 3.06Å; L73-R90 HydrophobicContact CD2-CG 4.1Å; T88-R90 PolarHBondContact O-N 2.65Å; T88-R90 WeakPolarHBondContact OG1-CB 3.44Å; T88-R90 PolarHBondContact OG1-N 3.22Å
91T95.3Very high95.9Very high0 Ų029.8 Ų29.80%015%0.153CC..THydrogen-bonded Turntrans-109.2-21.9-174.751.90000113.4R4 N8 F65 E69 L72 L73 T88R4-T91 PolarHBondContact NH1-O 3.31Å; N8-T91 WeakPolarHBondContact CB-O 3.35Å; N8-T91 PolarHBondContact ND2-O 2.99Å; F65-T91 HydrophobicContact CE2-CG2 4.18Å; F65-T91 HydrophobicContact CZ-CG2 3.95Å; E69-T91 HydrophobicContact CG-CG2 4.3Å; L72-T91 HydrophobicContact CB-CG2 4.21Å; L73-T91 HydrophobicContact CD2-CG2 4.31Å; T88-T91 PolarHBondContact N-OG1 3.14Å; T88-T91 PolarHBondContact O-N 3.25Å; T88-T91 PolarHBondContact O-OG1 2.75Å; T88-T91 VanDerWaalsContact O-OG1 3.1Å
92I97.2Very high95.9Very high1 Ų132.7 Ų32.71%0.00517%0.171CC..  trans-127.6130.5179-60.8-62.3000109N8 L10 V79 F87 T88 P89 A94 V95 F139N8-I92 HydrophobicContact CB-CD1 4.17Å; L10-I92 HydrophobicContact CB-CD1 4.16Å; L10-I92 HydrophobicContact CB-CG1 4.35Å; L10-I92 HydrophobicContact CB-CG2 3.77Å; V79-I92 HydrophobicContact CG2-CD1 4.03Å; F87-I92 HydrophobicContact CB-CG1 3.73Å; F87-I92 HydrophobicContact CD1-CD1 4.2Å; F87-I92 HydrophobicContact CD1-CG1 3.86Å; F87-I92 HydrophobicContact CG-CG1 3.82Å; T88-I92 PolarHBondContact O-N 3.12Å; P89-I92 WeakPolarHBondContact CA-O 2.9Å; I92-A94 WeakPolarHBondContact CG2-O 3.43Å; I92-V95 HydrophobicContact CG2-CG2 3.88Å; I92-F139 HydrophobicContact CB-CE1 3.76Å; I92-F139 HydrophobicContact CB-CZ 3.98Å; I92-F139 HydrophobicContact CG1-CZ 4.49Å; I92-F139 HydrophobicContact CG2-CE1 4.03Å; I92-F139 HydrophobicContact CG2-CZ 4.27Å
93D96.3Very high96Very high21 Ų2137.3 Ų37.311%0.11219%0.192CC..SBendtrans-96.9-27.3-177.9-58.9-75.9000112.8R4 P7 N8 H143 W169R4-D93 IonicContact CZ-OD1 3.36Å; R4-D93 IonicContact CZ-OD2 3.78Å; R4-D93 IonicContact NH1-OD2 3.94Å; R4-D93 IonicContact NH2-OD1 2.84Å; R4-D93 PolarHBondContact NH2-OD1 2.68Å; R4-D93 IonicContact NH2-OD2 3.21Å; R4-D93 PolarHBondContact NH2-OD2 2.97Å; P7-D93 VanDerWaalsContact CA-OD2 3.25Å; P7-D93 WeakPolarHBondContact CA-OD2 3.35Å; P7-D93 HydrophobicContact CB-CB 4.11Å; N8-D93 PolarHBondContact N-OD2 2.62Å; N8-D93 PolarHBondContact O-N 3.02Å; D93-H143 PolarHBondContact O-ND1 3.21Å; D93-W169 HydrophobicContact CB-CH2 3.46Å; D93-W169 VanDerWaalsContact CB-CH2 3.46Å; D93-W169 HydrophobicContact CB-CZ2 4.06Å; D93-W169 HydrophobicContact CB-CZ3 3.84Å
94A97.6Very high96.3Very high7 Ų739.5 Ų39.56%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-149144.317200000110.8N8 F9 L10 I92 F96 H143 F145N8-A94 PolarHBondContact O-N 3.28Å; F9-A94 WeakPolarHBondContact CA-O 3.37Å; F9-A94 HydrophobicContact CD1-CB 3.74Å; F9-A94 HydrophobicContact CE1-CB 3.95Å; L10-A94 PolarHBondContact N-O 3.37Å; I92-A94 WeakPolarHBondContact CG2-O 3.43Å; A94-F96 HydrophobicContact CB-CE2 3.87Å; A94-F96 HydrophobicContact CB-CZ 4.07Å; A94-H143 WeakPolarHBondContact CA-O 3.36Å; A94-F145 HydrophobicContact CB-CD2 4.45Å; A94-F145 HydrophobicContact CB-CE2 4.01Å
95V98.6Very high96.6Very high0 Ų039.5 Ų39.50%020%0.202CC..EExtended strand (participates in β ladder)trans-114.4125.7177-175.60000108.7L10 A12 I92 V97 A135 F139 H143 V144 F145L10-V95 HydrophobicContact CB-CG1 4.41Å; L10-V95 HydrophobicContact CB-CG2 4.3Å; L10-V95 HydrophobicContact CD2-CG1 4.02Å; L10-V95 HydrophobicContact CD2-CG2 4.21Å; L10-V95 HydrophobicContact CG-CG1 4.26Å; L10-V95 CarbonylContact O-C 3.54Å; L10-V95 WeakPolarHBondContact O-CA 3.24Å; A12-V95 HydrophobicContact CB-CG1 4.28Å; I92-V95 HydrophobicContact CG2-CG2 3.88Å; V95-V97 HydrophobicContact CG1-CG2 3.96Å; V95-A135 HydrophobicContact CG1-CB 4Å; V95-F139 HydrophobicContact CG2-CD1 4.01Å; V95-F139 HydrophobicContact CG2-CD2 3.66Å; V95-F139 HydrophobicContact CG2-CE1 4.11Å; V95-F139 HydrophobicContact CG2-CE2 3.78Å; V95-F139 HydrophobicContact CG2-CG 3.79Å; V95-F139 HydrophobicContact CG2-CZ 4Å; V95-H143 PolarHBondContact N-O 3.37Å; V95-V144 HydrophobicContact CB-CG2 4.45Å; V95-V144 CarbonylContact O-C 3.54Å; V95-V144 WeakPolarHBondContact O-CA 3.29Å; V95-F145 PolarHBondContact O-N 2.98Å
96F98.8Very high96.9Very high0 Ų039.8 Ų39.80%020%0.196CC..EExtended strand (participates in β ladder)trans-111.4106.1174.6-56.1-89.4000108.3F9 L10 I11 A12 A94 F145 L147 L161 I162 Q165F9-F96 HydrophobicContact CB-CD2 4.25Å; F9-F96 HydrophobicContact CB-CE2 3.89Å; F9-F96 HydrophobicContact CD1-CE2 4.02Å; F9-F96 HydrophobicContact CD2-CE2 4.03Å; F9-F96 AromaticContact CG-CE2 3.74Å; F9-F96 HydrophobicContact CG-CE2 3.74Å; L10-F96 PolarHBondContact O-N 3.18Å; I11-F96 WeakPolarHBondContact CA-O 3.11Å; I11-F96 HydrophobicContact CD1-CB 3.67Å; I11-F96 HydrophobicContact CD1-CD2 3.65Å; I11-F96 HydrophobicContact CD1-CG 3.96Å; A12-F96 PolarHBondContact N-O 3.15Å; A94-F96 HydrophobicContact CB-CE2 3.87Å; A94-F96 HydrophobicContact CB-CZ 4.07Å; F96-F145 CarbonylContact C-O 3.56Å; F96-F145 WeakPolarHBondContact CA-O 3.42Å; F96-F145 HydrophobicContact CD1-CB 3.67Å; F96-F145 AromaticContact CD1-CD2 3.84Å; F96-F145 HydrophobicContact CD1-CD2 3.84Å; F96-F145 AromaticContact CD1-CG 3.99Å; F96-F145 HydrophobicContact CD1-CG 3.99Å; F96-F145 HydrophobicContact CE1-CB 4.12Å; F96-F145 AromaticContact CE1-CD2 3.59Å; F96-F145 HydrophobicContact CE1-CD2 3.59Å; F96-F145 HydrophobicContact CE1-CE2 4.24Å; F96-F145 AromaticContact CE1-CG 3.92Å; F96-F145 HydrophobicContact CE1-CG 3.92Å; F96-F145 HydrophobicContact CZ-CD2 4.14Å; F96-F145 HydrophobicContact CZ-CE2 4.47Å; F96-L147 HydrophobicContact CB-CD1 3.99Å; F96-L147 HydrophobicContact CD1-CD1 3.79Å; F96-L147 HydrophobicContact CD1-CG 4.39Å; F96-L147 HydrophobicContact CG-CD1 4.28Å; F96-L161 HydrophobicContact CD1-CD2 4.23Å; F96-L161 HydrophobicContact CE1-CD2 3.75Å; F96-I162 HydrophobicContact CD1-CG1 3.84Å; F96-I162 HydrophobicContact CD2-CG1 4.08Å; F96-I162 HydrophobicContact CE1-CG1 3.87Å; F96-I162 HydrophobicContact CE2-CG1 4.09Å; F96-I162 HydrophobicContact CE2-CG2 4.15Å; F96-I162 HydrophobicContact CG-CD1 4.31Å; F96-I162 HydrophobicContact CG-CG1 3.94Å; F96-I162 HydrophobicContact CZ-CB 4.47Å; F96-I162 HydrophobicContact CZ-CG1 3.99Å; F96-I162 HydrophobicContact CZ-CG2 4.4Å; F96-Q165 HydrophobicContact CE1-CG 4.38Å; F96-Q165 HydrophobicContact CZ-CB 4.3Å; F96-Q165 HydrophobicContact CZ-CG 4.16Å
97V98.7Very high97.1Very high1 Ų143.9 Ų43.91%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-90.4110.3179.8-173.20000108.4A12 V95 L131 L132 A135 V144 F145 A146 L147A12-V97 HydrophobicContact CB-CG2 4.48Å; V95-V97 HydrophobicContact CG1-CG2 3.96Å; V97-L131 HydrophobicContact CG1-CB 4.46Å; V97-L132 HydrophobicContact CB-CD1 4.2Å; V97-L132 HydrophobicContact CG1-CB 4.2Å; V97-L132 HydrophobicContact CG2-CD1 4.16Å; V97-A135 HydrophobicContact CG2-CB 3.63Å; V97-V144 HydrophobicContact CG2-CG1 4.18Å; V97-F145 PolarHBondContact N-O 2.97Å; V97-A146 WeakPolarHBondContact O-CA 3.3Å; V97-L147 PolarHBondContact O-N 2.84Å
98L98.8Very high97.2Very high0 Ų046.5 Ų46.50%023%0.228CC..EExtended strand (participates in β ladder)trans-75.6131.4177.1-60.6-167.8000110.8I11 A12 K19 V22 L147 N149I11-L98 HydrophobicContact CG2-CD1 3.94Å; I11-L98 HydrophobicContact CG2-CD2 4.29Å; I11-L98 HydrophobicContact CG2-CG 3.8Å; A12-L98 PolarHBondContact O-N 3.21Å; K19-L98 HydrophobicContact CB-CD1 4.39Å; K19-L98 HydrophobicContact CG-CD1 4.09Å; K19-L98 HydrophobicContact CG-CG 4.46Å; V22-L98 HydrophobicContact CB-CD1 4.15Å; V22-L98 HydrophobicContact CG2-CD1 3.7Å; V22-L98 HydrophobicContact CG2-CD2 4.48Å; L98-L147 CarbonylContact C-O 3.57Å; L98-L147 WeakPolarHBondContact CA-O 3.49Å; L98-L147 HydrophobicContact CD2-CB 3.88Å; L98-L147 HydrophobicContact CD2-CD1 4.26Å; L98-N149 HydrophobicContact CB-CB 4.39Å; L98-N149 HydrophobicContact CD1-CB 4.32Å; L98-N149 HydrophobicContact CD2-CB 4.38Å
99R98.6Very high97.3Very high49 Ų4943.4 Ų43.419%0.18521%0.209CC..EExtended strand (participates in β ladder)trans-113146.6178.3-56.7-54.1-52.9-81.7-7.5110.2E126 D129 A146 L147 K148 N149R99-E126 WeakPolarHBondContact CA-OE1 3.48Å; R99-E126 IonicContact CZ-OE1 3.83Å; R99-E126 IonicContact NE-OE1 2.78Å; R99-E126 PolarHBondContact NE-OE1 3Å; R99-E126 PolarHBondContact NH2-O 2.81Å; R99-E126 IonicContact NH2-OE1 2.78Å; R99-E126 PolarHBondContact NH2-OE1 2.81Å; R99-D129 IonicContact CZ-OD1 3.26Å; R99-D129 IonicContact CZ-OD2 2.78Å; R99-D129 IonicContact NH1-OD1 3.71Å; R99-D129 PolarHBondContact NH1-OD1 2.82Å; R99-D129 IonicContact NH1-OD2 2.74Å; R99-D129 PolarHBondContact NH1-OD2 2.71Å; R99-D129 IonicContact NH2-OD1 2.83Å; R99-D129 PolarHBondContact NH2-OD1 3.13Å; R99-D129 IonicContact NH2-OD2 2.92Å; R99-A146 HydrophobicContact CG-CB 4.31Å; R99-L147 PolarHBondContact N-O 3.25Å; R99-K148 CarbonylContact O-C 3.54Å; R99-N149 PolarHBondContact O-N 3.21Å
100C98.5Very high97.5Very high6 Ų643.4 Ų43.44%0.04121%0.208CC..  trans-139.1137.5-179.5-172.30000110.2T17 T102 L105 E126T17-C100 HydrophobicContact CG2-CB 3.89Å; C100-T102 PolarHBondContact O-N 3.25Å; C100-L105 HydrophobicContact CB-CB 4.21Å; C100-L105 HydrophobicContact CB-CD1 4.48Å; C100-E126 PolarHBondContact N-OE1 3.15Å
101D98.5Very high97.7Very high74 Ų7442.3 Ų42.340%0.39622%0.218SC..  trans-58.9137.4172.9-66.4-4.6000109.1E103 I104 L105 K148 N150D101-E103 PolarHBondContact O-N 2.79Å; D101-I104 HydrophobicContact CB-CD1 4.31Å; D101-I104 PolarHBondContact O-N 3.12Å; D101-I104 VanDerWaalsContact O-N 3.11Å; D101-L105 PolarHBondContact O-N 3.01Å; D101-K148 VanDerWaalsContact OD1-CE 3.27Å; D101-K148 WeakPolarHBondContact OD1-CE 3.46Å; D101-K148 IonicContact OD1-NZ 3.91Å; D101-K148 PolarHBondContact OD1-NZ 3.46Å; D101-K148 WeakPolarHBondContact OD2-CE 3.26Å; D101-K148 IonicContact OD2-NZ 2.85Å; D101-K148 PolarHBondContact OD2-NZ 3.09Å; D101-N150 PolarHBondContact N-OD1 2.95Å; D101-N150 PolarHBondContact OD2-ND2 3.42Å
102T97.5Very high97.7Very high61 Ų6148.4 Ų48.437%0.37424%0.241SC..Hα-helixtrans-63.3-37.7-166.9480000113.2C100 I104 L105 Y106 M123 I127C100-T102 PolarHBondContact O-N 3.25Å; T102-I104 VanDerWaalsContact C-N 3.32Å; T102-I104 PolarHBondContact O-N 3.04Å; T102-L105 PolarHBondContact O-N 3.13Å; T102-Y106 VanDerWaalsContact O-CB 3.3Å; T102-Y106 WeakPolarHBondContact O-CB 3.07Å; T102-Y106 PolarHBondContact O-N 2.92Å; T102-M123 HydrophobicContact CG2-CE 4.05Å; T102-M123 WeakPolarHBondContact O-CE 3.19Å; T102-I127 HydrophobicContact CG2-CD1 4.4Å; T102-I127 HydrophobicContact CG2-CG1 3.7Å
103E96.8Very high97.5Very high161 Ų16151.5 Ų51.575%0.75227%0.274SS*.Hα-helixtrans-59.4-44.3175.6-63.2178.9176.900111.2D101 Y106 D107D101-E103 PolarHBondContact O-N 2.79Å; E103-Y106 PolarHBondContact O-N 3.06Å; E103-D107 PolarHBondContact O-N 3.27Å
104I98.2Very high97.2Very high56 Ų5653.4 Ų53.429%0.28728%0.279SS..Hα-helixtrans-70-41.7178.8-60.8175.1000110.5D101 T102 Y106 D107 R108 N150D101-I104 HydrophobicContact CB-CD1 4.31Å; D101-I104 PolarHBondContact O-N 3.12Å; D101-I104 VanDerWaalsContact O-N 3.11Å; T102-I104 VanDerWaalsContact C-N 3.32Å; T102-I104 PolarHBondContact O-N 3.04Å; I104-Y106 VanDerWaalsContact C-N 3.33Å; I104-D107 PolarHBondContact O-N 2.85Å; I104-R108 HydrophobicContact CG2-CG 4.47Å; I104-R108 WeakPolarHBondContact O-CB 3.42Å; I104-R108 VanDerWaalsContact O-CG 3.25Å; I104-R108 WeakPolarHBondContact O-CG 3.33Å; I104-R108 PolarHBondContact O-N 3.48Å; I104-R108 VanDerWaalsContact O-N 3.08Å; I104-N150 HydrophobicContact CD1-CB 3.58Å
105L98.3Very high96.9Very high0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-64.2-41.8179-175.361000111.1T14 T17 C100 D101 T102 D107 R108 L109 M123 E126T14-L105 HydrophobicContact CG2-CD2 4.1Å; T17-L105 HydrophobicContact CG2-CD1 4.3Å; C100-L105 HydrophobicContact CB-CB 4.21Å; C100-L105 HydrophobicContact CB-CD1 4.48Å; D101-L105 PolarHBondContact O-N 3.01Å; T102-L105 PolarHBondContact O-N 3.13Å; L105-D107 PolarHBondContact O-N 3.39Å; L105-R108 PolarHBondContact O-N 3.21Å; L105-L109 HydrophobicContact CD1-CD1 4.3Å; L105-L109 HydrophobicContact CD1-CG 4.15Å; L105-L109 HydrophobicContact CD2-CD1 4.44Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.21Å; L105-L109 WeakPolarHBondContact O-CB 3.31Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.39Å; L105-L109 PolarHBondContact O-N 3.44Å; L105-M123 HydrophobicContact CB-SD 4.3Å; L105-M123 HydrophobicContact CD2-SD 4.22Å; L105-M123 HydrophobicContact CG-SD 4.11Å; L105-E126 HydrophobicContact CD2-CB 3.45Å; L105-E126 VanDerWaalsContact CD2-CB 3.45Å; L105-E126 HydrophobicContact CD2-CG 3.55Å
106Y98.3Very high96.6Very high113 Ų11360.2 Ų60.244%0.44333%0.331SS..Hα-helixtrans-55.3-52.7177-176.9-88.5000110.8T102 E103 I104 R108 L109 V110 L119 M123T102-Y106 VanDerWaalsContact O-CB 3.3Å; T102-Y106 WeakPolarHBondContact O-CB 3.07Å; T102-Y106 PolarHBondContact O-N 2.92Å; E103-Y106 PolarHBondContact O-N 3.06Å; I104-Y106 VanDerWaalsContact C-N 3.33Å; Y106-R108 VanDerWaalsContact C-N 3.31Å; Y106-R108 PolarHBondContact O-N 2.95Å; Y106-L109 PolarHBondContact O-N 3.33Å; Y106-V110 HydrophobicContact CD1-CG2 3.9Å; Y106-V110 HydrophobicContact CE1-CG2 3.52Å; Y106-V110 WeakPolarHBondContact O-CG2 3.49Å; Y106-V110 PolarHBondContact O-N 3.36Å; Y106-L119 HydrophobicContact CD2-CD1 4.41Å; Y106-L119 HydrophobicContact CD2-CD2 3.77Å; Y106-L119 HydrophobicContact CE2-CD1 4.01Å; Y106-L119 HydrophobicContact CE2-CD2 3.5Å; Y106-L119 VanDerWaalsContact CE2-CD2 3.5Å; Y106-L119 HydrophobicContact CE2-CG 4.35Å; Y106-M123 HydrophobicContact CD2-CG 4.37Å; Y106-M123 HydrophobicContact CD2-SD 4.39Å
107D97.7Very high96.4Very high110 Ų11063.9 Ų63.959%0.58835%0.353SS*.Hα-helixtrans-61.3-39.3179.3-70.9-15.9000112.4E103 I104 L105 L109 S111E103-D107 PolarHBondContact O-N 3.27Å; I104-D107 PolarHBondContact O-N 2.85Å; L105-D107 PolarHBondContact O-N 3.39Å; D107-L109 VanDerWaalsContact C-N 3.32Å; D107-L109 PolarHBondContact O-N 2.95Å; D107-S111 WeakPolarHBondContact O-CB 3.49Å; D107-S111 PolarHBondContact O-N 3.16Å; D107-S111 PolarHBondContact O-OG 2.71Å
108R97.8Very high96.2Very high61 Ų6166.4 Ų66.423%0.2336%0.364CS..Hα-helixtrans-66-32.8175.2-72.2174.3177.6-177.21.6112.8G16 T17 I104 L105 Y106 S111 R112 N149 N150G16-R108 VanDerWaalsContact O-CD 3.23Å; G16-R108 WeakPolarHBondContact O-CD 3.4Å; G16-R108 PolarHBondContact O-NH1 3.41Å; G16-R108 VanDerWaalsContact O-NH1 3.12Å; T17-R108 PolarHBondContact O-NH1 3.11Å; I104-R108 HydrophobicContact CG2-CG 4.47Å; I104-R108 WeakPolarHBondContact O-CB 3.42Å; I104-R108 VanDerWaalsContact O-CG 3.25Å; I104-R108 WeakPolarHBondContact O-CG 3.33Å; I104-R108 PolarHBondContact O-N 3.48Å; I104-R108 VanDerWaalsContact O-N 3.08Å; L105-R108 PolarHBondContact O-N 3.21Å; Y106-R108 VanDerWaalsContact C-N 3.31Å; Y106-R108 PolarHBondContact O-N 2.95Å; R108-S111 WeakPolarHBondContact CA-OG 3.45Å; R108-S111 PolarHBondContact O-OG 2.86Å; R108-S111 VanDerWaalsContact O-OG 3.05Å; R108-R112 WeakPolarHBondContact O-CD 3.4Å; R108-R112 VanDerWaalsContact O-CG 3.23Å; R108-R112 WeakPolarHBondContact O-CG 3.13Å; R108-R112 PolarHBondContact O-N 2.9Å; R108-N149 PolarHBondContact NH1-O 3.18Å; R108-N149 VanDerWaalsContact NH1-O 3.17Å; R108-N149 PolarHBondContact NH2-O 3.05Å; R108-N150 PolarHBondContact NH2-O 3.12Å
109L97Very high96Very high0 Ų067.5 Ų67.50%037%0.369CS..Hα-helixtrans-79.6-40.1178.2-71.6179000111.7P15 L105 Y106 D107 R112 Y114 L119 N122 M123P15-L109 VanDerWaalsContact O-CD2 3.26Å; P15-L109 WeakPolarHBondContact O-CD2 3.45Å; L105-L109 HydrophobicContact CD1-CD1 4.3Å; L105-L109 HydrophobicContact CD1-CG 4.15Å; L105-L109 HydrophobicContact CD2-CD1 4.44Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 HydrophobicContact CG-CG 4.21Å; L105-L109 WeakPolarHBondContact O-CB 3.31Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.39Å; L105-L109 PolarHBondContact O-N 3.44Å; Y106-L109 PolarHBondContact O-N 3.33Å; D107-L109 VanDerWaalsContact C-N 3.32Å; D107-L109 PolarHBondContact O-N 2.95Å; L109-R112 WeakPolarHBondContact O-CB 3.24Å; L109-R112 PolarHBondContact O-N 2.81Å; L109-Y114 HydrophobicContact CD2-CD2 3.75Å; L109-Y114 HydrophobicContact CD2-CE2 3.69Å; L109-L119 HydrophobicContact CB-CG 4.5Å; L109-N122 HydrophobicContact CD1-CB 3.62Å; L109-N122 HydrophobicContact CD2-CB 4.48Å; L109-M123 HydrophobicContact CD1-CG 4.32Å; L109-M123 HydrophobicContact CD1-SD 3.94Å
110V97.1Very high95.9Very high70 Ų7070.5 Ų70.542%0.42439%0.386SS..Hα-helixtrans-60.6-46.8172.7172.30000110.6Y106 R112 G113 L119Y106-V110 HydrophobicContact CD1-CG2 3.9Å; Y106-V110 HydrophobicContact CE1-CG2 3.52Å; Y106-V110 WeakPolarHBondContact O-CG2 3.49Å; Y106-V110 PolarHBondContact O-N 3.36Å; V110-R112 PolarHBondContact O-N 2.82Å; V110-G113 WeakPolarHBondContact O-CA 3.37Å; V110-G113 PolarHBondContact O-N 3.45Å; V110-L119 HydrophobicContact CG2-CD1 3.44Å; V110-L119 VanDerWaalsContact CG2-CD1 3.44Å
111S96.9Very high95.8Very high98 Ų9872.3 Ų72.369%0.68540%0.399SS*.THydrogen-bonded Turntrans-64.8-19.1178.554.60000113.9D107 R108 G113D107-S111 WeakPolarHBondContact O-CB 3.49Å; D107-S111 PolarHBondContact O-N 3.16Å; D107-S111 PolarHBondContact O-OG 2.71Å; R108-S111 WeakPolarHBondContact CA-OG 3.45Å; R108-S111 PolarHBondContact O-OG 2.86Å; R108-S111 VanDerWaalsContact O-OG 3.05Å; S111-G113 VanDerWaalsContact C-N 3.27Å
112R93.8Very high95.7Very high128 Ų12869.7 Ų69.748%0.48338%0.384SS..THydrogen-bonded Turntrans-80.3-4.3170.2-72.7171.3-178.4-138.2-3.6113.6R108 L109 V110 Y114R108-R112 WeakPolarHBondContact O-CD 3.4Å; R108-R112 VanDerWaalsContact O-CG 3.23Å; R108-R112 WeakPolarHBondContact O-CG 3.13Å; R108-R112 PolarHBondContact O-N 2.9Å; L109-R112 WeakPolarHBondContact O-CB 3.24Å; L109-R112 PolarHBondContact O-N 2.81Å; V110-R112 PolarHBondContact O-N 2.82Å; R112-Y114 VanDerWaalsContact C-N 3.34Å; R112-Y114 HydrophobicContact CB-CD1 3.94Å; R112-Y114 HydrophobicContact CB-CE1 3.91Å; R112-Y114 HydrophobicContact CB-CG 4.49Å
113G93.3Very high95.8Very high66 Ų6667.8 Ų67.868%0.6837%0.372SS*.THydrogen-bonded Turntrans71.725.8-179.800000113.7V110 S111 G115V110-G113 WeakPolarHBondContact O-CA 3.37Å; V110-G113 PolarHBondContact O-N 3.45Å; S111-G113 VanDerWaalsContact C-N 3.27Å; G113-G115 PolarHBondContact O-N 2.87Å
114Y91Very high95.8Very high60 Ų6064 Ų6424%0.23535%0.354CS..  trans-69.1131177.4-74.66.6000110.4P15 L109 R112 K118P15-Y114 HydrophobicContact CB-CE2 4.37Å; L109-Y114 HydrophobicContact CD2-CD2 3.75Å; L109-Y114 HydrophobicContact CD2-CE2 3.69Å; R112-Y114 VanDerWaalsContact C-N 3.34Å; R112-Y114 HydrophobicContact CB-CD1 3.94Å; R112-Y114 HydrophobicContact CB-CE1 3.91Å; R112-Y114 HydrophobicContact CB-CG 4.49Å; Y114-K118 HydrophobicContact CD1-CD 4.25Å; Y114-K118 HydrophobicContact CD2-CD 3.92Å; Y114-K118 HydrophobicContact CD2-CG 3.77Å; Y114-K118 HydrophobicContact CE1-CD 4.48Å; Y114-K118 HydrophobicContact CE2-CD 4.17Å; Y114-K118 HydrophobicContact CE2-CG 4.26Å; Y114-K118 HydrophobicContact CG-CD 3.97Å; Y114-K118 HydrophobicContact CG-CG 4.11Å
115G91.1Very high95.8Very high40 Ų4062.8 Ų62.841%0.41235%0.35SS..  trans-62.4164173.900000112.4G113 T117 K118 L119G113-G115 PolarHBondContact O-N 2.87Å; G115-T117 VanDerWaalsContact C-N 3.34Å; G115-T117 PolarHBondContact O-N 3.5Å; G115-K118 PolarHBondContact O-N 2.97Å; G115-K118 VanDerWaalsContact O-N 3.13Å; G115-L119 WeakPolarHBondContact O-CB 3.46Å; G115-L119 PolarHBondContact O-N 3.18Å
116P92.9Very high95.8Very high111 Ų11163 Ų6372%0.72135%0.351SS*.Hα-helixtrans-56.4-43.4-170.321.3-33.2000113.2L119 Q120P116-L119 PolarHBondContact O-N 3.34Å; P116-Q120 WeakPolarHBondContact O-CB 3.43Å; P116-Q120 PolarHBondContact O-N 2.93Å
117T93.8Very high95.8Very high76 Ų7662.1 Ų62.147%0.46635%0.353SS..Hα-helixtrans-60.9-47.9178.6-48.70000112.2T53 F54 G115 Q120 S121T53-T117 HydrophobicContact CG2-CG2 3.88Å; F54-T117 HydrophobicContact CE1-CG2 4.3Å; G115-T117 VanDerWaalsContact C-N 3.34Å; G115-T117 PolarHBondContact O-N 3.5Å; T117-Q120 PolarHBondContact O-N 3.26Å; T117-S121 WeakPolarHBondContact O-CB 3.47Å; T117-S121 PolarHBondContact O-N 3.21Å
118K94.2Very high95.8Very high55 Ų5563.5 Ų63.524%0.23935%0.354CS..Hα-helixtrans-69-37.1-180-171.8168.7-173.2162.70111.7F54 Y114 G115 N122F54-K118 HydrophobicContact CD1-CB 3.98Å; F54-K118 HydrophobicContact CD1-CG 4.16Å; Y114-K118 HydrophobicContact CD1-CD 4.25Å; Y114-K118 HydrophobicContact CD2-CD 3.92Å; Y114-K118 HydrophobicContact CD2-CG 3.77Å; Y114-K118 HydrophobicContact CE1-CD 4.48Å; Y114-K118 HydrophobicContact CE2-CD 4.17Å; Y114-K118 HydrophobicContact CE2-CG 4.26Å; Y114-K118 HydrophobicContact CG-CD 3.97Å; Y114-K118 HydrophobicContact CG-CG 4.11Å; G115-K118 PolarHBondContact O-N 2.97Å; G115-K118 VanDerWaalsContact O-N 3.13Å; K118-N122 PolarHBondContact O-N 3.43Å; K118-N122 VanDerWaalsContact O-N 3.14Å; K118-N122 PolarHBondContact O-ND2 3.3Å
119L95.3Very high95.8Very high22 Ų2263.6 Ų63.612%0.11536%0.359CS..Hα-helixtrans-61.3-53.8174.2-175.2155.7000110Y106 L109 V110 G115 P116 S121 N122 M123Y106-L119 HydrophobicContact CD2-CD1 4.41Å; Y106-L119 HydrophobicContact CD2-CD2 3.77Å; Y106-L119 HydrophobicContact CE2-CD1 4.01Å; Y106-L119 HydrophobicContact CE2-CD2 3.5Å; Y106-L119 VanDerWaalsContact CE2-CD2 3.5Å; Y106-L119 HydrophobicContact CE2-CG 4.35Å; L109-L119 HydrophobicContact CB-CG 4.5Å; V110-L119 HydrophobicContact CG2-CD1 3.44Å; V110-L119 VanDerWaalsContact CG2-CD1 3.44Å; G115-L119 WeakPolarHBondContact O-CB 3.46Å; G115-L119 PolarHBondContact O-N 3.18Å; P116-L119 PolarHBondContact O-N 3.34Å; L119-S121 PolarHBondContact O-N 3.21Å; L119-N122 PolarHBondContact O-N 3.4Å; L119-M123 HydrophobicContact CD2-CG 3.88Å; L119-M123 WeakPolarHBondContact O-CG 3.27Å; L119-M123 PolarHBondContact O-N 3.35Å
120Q96.5Very high95.8Very high112 Ų11265.8 Ų65.852%0.52338%0.375SS..Hα-helixtrans-57.5-49.1-179.1-179.2178.5-300111.5P116 T117 N122 M123 E124P116-Q120 WeakPolarHBondContact O-CB 3.43Å; P116-Q120 PolarHBondContact O-N 2.93Å; T117-Q120 PolarHBondContact O-N 3.26Å; Q120-N122 VanDerWaalsContact C-N 3.35Å; Q120-N122 PolarHBondContact O-N 2.97Å; Q120-M123 WeakPolarHBondContact O-CB 3.35Å; Q120-M123 PolarHBondContact O-N 3.28Å; Q120-M123 VanDerWaalsContact O-N 3.12Å; Q120-E124 HydrophobicContact CG-CG 4.39Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.46Å; Q120-E124 PolarHBondContact NE2-OE1 2.92Å; Q120-E124 WeakPolarHBondContact O-CG 3.33Å; Q120-E124 PolarHBondContact O-N 3.5Å
121S96.2Very high95.8Very high45 Ų4563.1 Ų63.132%0.31536%0.358SS..Hα-helixtrans-59.1-42.5179.8171.80000112.9T117 L119 E124 C125T117-S121 WeakPolarHBondContact O-CB 3.47Å; T117-S121 PolarHBondContact O-N 3.21Å; L119-S121 PolarHBondContact O-N 3.21Å; S121-E124 PolarHBondContact O-N 3.47Å; S121-C125 WeakPolarHBondContact O-CB 3.44Å; S121-C125 PolarHBondContact O-N 3.47Å
122N96.6Very high95.9Very high18 Ų1859.8 Ų59.810%0.09633%0.332CS..Hα-helixtrans-69.3-36.6176.1-73.9-60.3000112T14 P15 L109 K118 L119 Q120 C125 E126T14-N122 HydrophobicContact CG2-CB 4.02Å; T14-N122 VanDerWaalsContact CG2-O 3.24Å; T14-N122 WeakPolarHBondContact CG2-O 3.37Å; P15-N122 VanDerWaalsContact CD-OD1 3.32Å; P15-N122 WeakPolarHBondContact CD-OD1 3.31Å; P15-N122 WeakPolarHBondContact CG-OD1 3.35Å; L109-N122 HydrophobicContact CD1-CB 3.62Å; L109-N122 HydrophobicContact CD2-CB 4.48Å; K118-N122 PolarHBondContact O-N 3.43Å; K118-N122 VanDerWaalsContact O-N 3.14Å; K118-N122 PolarHBondContact O-ND2 3.3Å; L119-N122 PolarHBondContact O-N 3.4Å; Q120-N122 VanDerWaalsContact C-N 3.35Å; Q120-N122 PolarHBondContact O-N 2.97Å; N122-C125 WeakPolarHBondContact O-CB 3.23Å; N122-C125 PolarHBondContact O-N 3.36Å; N122-E126 PolarHBondContact O-N 3.11Å; N122-E126 VanDerWaalsContact O-N 3.09Å
123M98.2Very high96.1Very high22 Ų2259.3 Ų59.311%0.10834%0.335CS..Hα-helixtrans-63.9-44.4175.3-71.8-55.3-57.900111.6T102 L105 Y106 L109 L119 Q120 E126 I127T102-M123 HydrophobicContact CG2-CE 4.05Å; T102-M123 WeakPolarHBondContact O-CE 3.19Å; L105-M123 HydrophobicContact CB-SD 4.3Å; L105-M123 HydrophobicContact CD2-SD 4.22Å; L105-M123 HydrophobicContact CG-SD 4.11Å; Y106-M123 HydrophobicContact CD2-CG 4.37Å; Y106-M123 HydrophobicContact CD2-SD 4.39Å; L109-M123 HydrophobicContact CD1-CG 4.32Å; L109-M123 HydrophobicContact CD1-SD 3.94Å; L119-M123 HydrophobicContact CD2-CG 3.88Å; L119-M123 WeakPolarHBondContact O-CG 3.27Å; L119-M123 PolarHBondContact O-N 3.35Å; Q120-M123 WeakPolarHBondContact O-CB 3.35Å; Q120-M123 PolarHBondContact O-N 3.28Å; Q120-M123 VanDerWaalsContact O-N 3.12Å; M123-E126 PolarHBondContact O-N 3.37Å; M123-I127 WeakPolarHBondContact O-CB 3.43Å; M123-I127 WeakPolarHBondContact O-CD1 3.41Å; M123-I127 VanDerWaalsContact O-CG1 3.22Å; M123-I127 WeakPolarHBondContact O-CG1 3.28Å; M123-I127 PolarHBondContact O-N 3.22Å
124E98.1Very high96.3Very high81 Ų8158.2 Ų58.238%0.37931%0.312SS..Hα-helixtrans-61.7-44175.1-73.2172.2-178.400111.2Q120 S121 E126 I127 F128Q120-E124 HydrophobicContact CG-CG 4.39Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.46Å; Q120-E124 PolarHBondContact NE2-OE1 2.92Å; Q120-E124 WeakPolarHBondContact O-CG 3.33Å; Q120-E124 PolarHBondContact O-N 3.5Å; S121-E124 PolarHBondContact O-N 3.47Å; E124-E126 VanDerWaalsContact C-N 3.28Å; E124-E126 PolarHBondContact O-N 3.11Å; E124-I127 PolarHBondContact O-N 3.46Å; E124-F128 HydrophobicContact CB-CD2 4.01Å; E124-F128 HydrophobicContact CB-CE2 3.98Å; E124-F128 HydrophobicContact CG-CE2 4.15Å; E124-F128 WeakPolarHBondContact O-CB 3.44Å; E124-F128 WeakPolarHBondContact O-CD2 3.32Å; E124-F128 PolarHBondContact O-N 3.05Å
125C97.5Very high96.6Very high30 Ų3055.3 Ų55.320%0.20330%0.301CS..Hα-helixtrans-55.2-41.8175.2-1770000112.4T14 S121 N122 D129 S130T14-C125 HydrophobicContact CG2-CB 4.37Å; S121-C125 WeakPolarHBondContact O-CB 3.44Å; S121-C125 PolarHBondContact O-N 3.47Å; N122-C125 WeakPolarHBondContact O-CB 3.23Å; N122-C125 PolarHBondContact O-N 3.36Å; C125-D129 PolarHBondContact O-N 3.18Å; C125-S130 PolarHBondContact O-N 3.21Å; C125-S130 VanDerWaalsContact O-N 3.08Å
126E98.3Very high96.9Very high4 Ų456 Ų562%0.01929%0.294CS..Hα-helixtrans-72.7-40.7176.5-174.964.7-154.900112.8T14 R99 C100 L105 N122 M123 E124 F128 D129T14-E126 VanDerWaalsContact CB-OE2 3.28Å; T14-E126 WeakPolarHBondContact CB-OE2 3.14Å; T14-E126 HydrophobicContact CG2-CB 4.3Å; T14-E126 PolarHBondContact OG1-OE2 3.28Å; R99-E126 WeakPolarHBondContact CA-OE1 3.48Å; R99-E126 IonicContact CZ-OE1 3.83Å; R99-E126 IonicContact NE-OE1 2.78Å; R99-E126 PolarHBondContact NE-OE1 3Å; R99-E126 PolarHBondContact NH2-O 2.81Å; R99-E126 IonicContact NH2-OE1 2.78Å; R99-E126 PolarHBondContact NH2-OE1 2.81Å; C100-E126 PolarHBondContact N-OE1 3.15Å; L105-E126 HydrophobicContact CD2-CB 3.45Å; L105-E126 VanDerWaalsContact CD2-CB 3.45Å; L105-E126 HydrophobicContact CD2-CG 3.55Å; N122-E126 PolarHBondContact O-N 3.11Å; N122-E126 VanDerWaalsContact O-N 3.09Å; M123-E126 PolarHBondContact O-N 3.37Å; E124-E126 VanDerWaalsContact C-N 3.28Å; E124-E126 PolarHBondContact O-N 3.11Å; E126-F128 VanDerWaalsContact C-N 3.35Å; E126-D129 PolarHBondContact O-N 3.24Å
127I98.2Very high97.1Very high95 Ų9556.6 Ų56.649%0.48729%0.291SS..Hα-helixtrans-66.2-38.7-178.8-72.6164000111.3T102 M123 E124 D129T102-I127 HydrophobicContact CG2-CD1 4.4Å; T102-I127 HydrophobicContact CG2-CG1 3.7Å; M123-I127 WeakPolarHBondContact O-CB 3.43Å; M123-I127 WeakPolarHBondContact O-CD1 3.41Å; M123-I127 VanDerWaalsContact O-CG1 3.22Å; M123-I127 WeakPolarHBondContact O-CG1 3.28Å; M123-I127 PolarHBondContact O-N 3.22Å; E124-I127 PolarHBondContact O-N 3.46Å; I127-D129 VanDerWaalsContact C-N 3.31Å
128F98.1Very high97.2Very high139 Ų13954.5 Ų54.561%0.6128%0.282SS*.THydrogen-bonded Turntrans-91.610.3-178.4-63-55.9000113.4E124 E126 S130E124-F128 HydrophobicContact CB-CD2 4.01Å; E124-F128 HydrophobicContact CB-CE2 3.98Å; E124-F128 HydrophobicContact CG-CE2 4.15Å; E124-F128 WeakPolarHBondContact O-CB 3.44Å; E124-F128 WeakPolarHBondContact O-CD2 3.32Å; E124-F128 PolarHBondContact O-N 3.05Å; E126-F128 VanDerWaalsContact C-N 3.35Å; F128-S130 PolarHBondContact O-N 2.9Å
129D97.5Very high97.3Very high63 Ų6352.2 Ų52.234%0.33727%0.272SS..THydrogen-bonded Turntrans55.525.9177.2-68.915.2000113.5R99 C125 E126 I127 L131 L132 E133R99-D129 IonicContact CZ-OD1 3.26Å; R99-D129 IonicContact CZ-OD2 2.78Å; R99-D129 IonicContact NH1-OD1 3.71Å; R99-D129 PolarHBondContact NH1-OD1 2.82Å; R99-D129 IonicContact NH1-OD2 2.74Å; R99-D129 PolarHBondContact NH1-OD2 2.71Å; R99-D129 IonicContact NH2-OD1 2.83Å; R99-D129 PolarHBondContact NH2-OD1 3.13Å; R99-D129 IonicContact NH2-OD2 2.92Å; C125-D129 PolarHBondContact O-N 3.18Å; E126-D129 PolarHBondContact O-N 3.24Å; I127-D129 VanDerWaalsContact C-N 3.31Å; D129-L131 VanDerWaalsContact C-N 3.3Å; D129-L131 PolarHBondContact O-N 2.8Å; D129-L131 VanDerWaalsContact O-N 3.14Å; D129-L132 HydrophobicContact CB-CB 4.32Å; D129-L132 WeakPolarHBondContact O-CA 3.36Å; D129-L132 WeakPolarHBondContact O-CB 3.2Å; D129-L132 PolarHBondContact O-N 2.89Å; D129-E133 PolarHBondContact O-N 2.69Å
130S97.9Very high97.4Very high47 Ų4753.7 Ų53.733%0.32928%0.283SS..Hα-helixtrans-59.1-40.3-164-51.50000112.6C125 F128 E133 E134C125-S130 PolarHBondContact O-N 3.21Å; C125-S130 VanDerWaalsContact O-N 3.08Å; F128-S130 PolarHBondContact O-N 2.9Å; S130-E133 PolarHBondContact O-N 3.35Å; S130-E134 WeakPolarHBondContact O-CB 3.26Å; S130-E134 PolarHBondContact O-N 3.31Å
131L97.7Very high97.4Very high14 Ų1454.6 Ų54.67%0.07329%0.287CS..Hα-helixtrans-76.2-22.7178.2-69175000113.8G13 T14 H82 V97 D129 A135G13-L131 WeakPolarHBondContact O-CD1 3.27Å; T14-L131 VanDerWaalsContact N-CD1 3.35Å; H82-L131 VanDerWaalsContact O-CD1 3.31Å; H82-L131 WeakPolarHBondContact O-CD1 3.47Å; H82-L131 WeakPolarHBondContact O-CD2 3.26Å; V97-L131 HydrophobicContact CG1-CB 4.46Å; D129-L131 VanDerWaalsContact C-N 3.3Å; D129-L131 PolarHBondContact O-N 2.8Å; D129-L131 VanDerWaalsContact O-N 3.14Å; L131-A135 WeakPolarHBondContact O-CB 3.28Å; L131-A135 PolarHBondContact O-N 3.14Å
132L98.1Very high97.4Very high27 Ų2758.3 Ų58.314%0.14130%0.303CS..Hα-helixtrans-74.4-43.7171.4177.160.7000110.2V97 D129 A135 M136 V144 A146V97-L132 HydrophobicContact CB-CD1 4.2Å; V97-L132 HydrophobicContact CG1-CB 4.2Å; V97-L132 HydrophobicContact CG2-CD1 4.16Å; D129-L132 HydrophobicContact CB-CB 4.32Å; D129-L132 WeakPolarHBondContact O-CA 3.36Å; D129-L132 WeakPolarHBondContact O-CB 3.2Å; D129-L132 PolarHBondContact O-N 2.89Å; L132-A135 PolarHBondContact O-N 3.46Å; L132-M136 HydrophobicContact CD1-CE 4.01Å; L132-M136 HydrophobicContact CD1-CG 4.34Å; L132-M136 VanDerWaalsContact O-CG 3.27Å; L132-M136 WeakPolarHBondContact O-CG 3.4Å; L132-M136 PolarHBondContact O-N 2.89Å; L132-V144 HydrophobicContact CD1-CG1 4.07Å; L132-A146 HydrophobicContact CD1-CB 4Å; L132-A146 HydrophobicContact CD2-CB 4.06Å
133E97.7Very high97.4Very high119 Ų11960.4 Ų60.456%0.55631%0.312SS*.Hα-helixtrans-60.6-45.5174.7-173.7176.4179.600111.2D129 S130 A135 M136 N137D129-E133 PolarHBondContact O-N 2.69Å; S130-E133 PolarHBondContact O-N 3.35Å; E133-A135 PolarHBondContact O-N 2.93Å; E133-M136 PolarHBondContact O-N 3.36Å; E133-N137 WeakPolarHBondContact O-CB 3.31Å; E133-N137 VanDerWaalsContact O-CG 3.27Å; E133-N137 PolarHBondContact O-N 2.76Å; E133-N137 PolarHBondContact O-ND2 2.8Å
134E97.7Very high97.4Very high42 Ų4259.8 Ų59.820%0.19631%0.31CS..Hα-helixtrans-55-50.1174.4-169.5-175.1111.500111.6C84 D85 S130 M136 N137 A138C84-E134 WeakPolarHBondContact CA-OE1 3.27Å; C84-E134 HydrophobicContact CB-CG 4.39Å; C84-E134 PolarHBondContact N-OE1 3.04Å; D85-E134 VanDerWaalsContact CG-CG 3.48Å; D85-E134 PolarHBondContact N-OE1 2.83Å; D85-E134 WeakPolarHBondContact OD1-CG 3.41Å; S130-E134 WeakPolarHBondContact O-CB 3.26Å; S130-E134 PolarHBondContact O-N 3.31Å; E134-M136 PolarHBondContact O-N 3.45Å; E134-N137 PolarHBondContact O-N 2.91Å; E134-A138 WeakPolarHBondContact O-CB 3.23Å; E134-A138 PolarHBondContact O-N 2.81Å
135A97.8Very high97.4Very high0 Ų058.9 Ų58.90%030%0.304CS..Hα-helixtrans-60.9-42.2177.900000112.7C84 V95 V97 L131 L132 E133 N137 A138 F139 V144C84-A135 HydrophobicContact CB-CB 4.42Å; V95-A135 HydrophobicContact CG1-CB 4Å; V97-A135 HydrophobicContact CG2-CB 3.63Å; L131-A135 WeakPolarHBondContact O-CB 3.28Å; L131-A135 PolarHBondContact O-N 3.14Å; L132-A135 PolarHBondContact O-N 3.46Å; E133-A135 PolarHBondContact O-N 2.93Å; A135-N137 VanDerWaalsContact C-N 3.3Å; A135-N137 PolarHBondContact O-N 3.08Å; A135-A138 PolarHBondContact O-N 2.95Å; A135-F139 WeakPolarHBondContact O-CB 3.36Å; A135-F139 PolarHBondContact O-N 3.39Å; A135-V144 HydrophobicContact CB-CG1 3.72Å; A135-V144 HydrophobicContact CB-CG2 4.34Å; A135-V144 WeakPolarHBondContact O-CG2 3.49Å
136M97.4Very high97.5Very high55 Ų5560 Ų6027%0.27132%0.316SS..Hα-helixtrans-66.8-30.9178.4-71.3-68.9-178.500112.6L132 E133 E134 F139 H141 V144L132-M136 HydrophobicContact CD1-CE 4.01Å; L132-M136 HydrophobicContact CD1-CG 4.34Å; L132-M136 VanDerWaalsContact O-CG 3.27Å; L132-M136 WeakPolarHBondContact O-CG 3.4Å; L132-M136 PolarHBondContact O-N 2.89Å; E133-M136 PolarHBondContact O-N 3.36Å; E134-M136 PolarHBondContact O-N 3.45Å; M136-F139 VanDerWaalsContact O-O 3.08Å; M136-H141 PolarHBondContact O-CD2 3.04Å; M136-H141 HydrophobicContact SD-CB 4.08Å; M136-V144 HydrophobicContact CE-CB 3.81Å; M136-V144 HydrophobicContact CE-CG1 3.7Å; M136-V144 HydrophobicContact CG-CG1 4.26Å; M136-V144 HydrophobicContact SD-CB 3.75Å; M136-V144 HydrophobicContact SD-CG1 3.94Å; M136-V144 HydrophobicContact SD-CG2 4.21Å
137N96.6Very high97.5Very high122 Ų12260.6 Ų60.665%0.65232%0.319SS*.Hα-helixtrans-76.8-35.1175.7-71.5-28.6000112.3E133 E134 A135E133-N137 WeakPolarHBondContact O-CB 3.31Å; E133-N137 VanDerWaalsContact O-CG 3.27Å; E133-N137 PolarHBondContact O-N 2.76Å; E133-N137 PolarHBondContact O-ND2 2.8Å; E134-N137 PolarHBondContact O-N 2.91Å; A135-N137 VanDerWaalsContact C-N 3.3Å; A135-N137 PolarHBondContact O-N 3.08Å
138A95.9Very high97.5Very high32 Ų3261 Ų6126%0.26432%0.318SS..Hα-helixtrans-85-24.1-177.200000114.1E134 A135E134-A138 WeakPolarHBondContact O-CB 3.23Å; E134-A138 PolarHBondContact O-N 2.81Å; A135-A138 PolarHBondContact O-N 2.95Å
139F97.2Very high97.5Very high7 Ų754.5 Ų54.53%0.03129%0.289CS..SBendtrans-129.6154.7-173-68.3-92.7000112.9C84 F87 T88 P89 I92 V95 A135 M136 H141 V144C84-F139 HydrophobicContact CB-CE2 4.31Å; F87-F139 HydrophobicContact CB-CE2 4.5Å; F87-F139 HydrophobicContact CB-CZ 3.85Å; T88-F139 VanDerWaalsContact C-CE1 3.49Å; P89-F139 HydrophobicContact CG-CD1 3.92Å; P89-F139 HydrophobicContact CG-CE1 4.23Å; I92-F139 HydrophobicContact CB-CE1 3.76Å; I92-F139 HydrophobicContact CB-CZ 3.98Å; I92-F139 HydrophobicContact CG1-CZ 4.49Å; I92-F139 HydrophobicContact CG2-CE1 4.03Å; I92-F139 HydrophobicContact CG2-CZ 4.27Å; V95-F139 HydrophobicContact CG2-CD1 4.01Å; V95-F139 HydrophobicContact CG2-CD2 3.66Å; V95-F139 HydrophobicContact CG2-CE1 4.11Å; V95-F139 HydrophobicContact CG2-CE2 3.78Å; V95-F139 HydrophobicContact CG2-CG 3.79Å; V95-F139 HydrophobicContact CG2-CZ 4Å; A135-F139 WeakPolarHBondContact O-CB 3.36Å; A135-F139 PolarHBondContact O-N 3.39Å; M136-F139 VanDerWaalsContact O-O 3.08Å; F139-H141 PolarHBondContact O-N 3.13Å; F139-V144 HydrophobicContact CB-CG2 3.68Å
140P96.2Very high97.6Very high54 Ų5452.3 Ų52.335%0.35128%0.278SS..  trans-53.9134.8168.6-23.333.7000110.9D142 H143P140-D142 VanDerWaalsContact CB-OD1 3.26Å; P140-D142 WeakPolarHBondContact CB-OD1 3.43Å; P140-D142 PolarHBondContact O-N 2.69Å; P140-D142 VanDerWaalsContact O-N 3.14Å; P140-H143 HydrophobicContact CB-CB 4.47Å; P140-H143 WeakPolarHBondContact O-CA 3.23Å; P140-H143 WeakPolarHBondContact O-CB 3.25Å; P140-H143 PolarHBondContact O-N 3.47Å
141H96.7Very high97.6Very high131 Ų13153.8 Ų53.861%0.60628%0.282SS*.G310 helixtrans-59.4-32.3-173.1-67.2-166.1000113M136 F139 H143 V144M136-H141 PolarHBondContact O-CD2 3.04Å; M136-H141 HydrophobicContact SD-CB 4.08Å; F139-H141 PolarHBondContact O-N 3.13Å; H141-H143 PolarHBondContact O-N 3.4Å; H141-V144 PolarHBondContact O-N 2.76Å
142D96.4Very high97.6Very high123 Ų12361.5 Ų61.566%0.65832%0.317SS*.G310 helixtrans-72.7-5176.960.2-35.3000113.9P140P140-D142 VanDerWaalsContact CB-OD1 3.26Å; P140-D142 WeakPolarHBondContact CB-OD1 3.43Å; P140-D142 PolarHBondContact O-N 2.69Å; P140-D142 VanDerWaalsContact O-N 3.14Å
143H95.9Very high97.6Very high62 Ų6266.2 Ų66.229%0.28734%0.339SS..G310 helixtrans-105.2-2.4174-69.5-128.3000112.8D93 A94 V95 P140 H141D93-H143 PolarHBondContact O-ND1 3.21Å; A94-H143 WeakPolarHBondContact CA-O 3.36Å; V95-H143 PolarHBondContact N-O 3.37Å; P140-H143 HydrophobicContact CB-CB 4.47Å; P140-H143 WeakPolarHBondContact O-CA 3.23Å; P140-H143 WeakPolarHBondContact O-CB 3.25Å; P140-H143 PolarHBondContact O-N 3.47Å; H141-H143 PolarHBondContact O-N 3.4Å
144V98.3Very high97.7Very high9 Ų962.2 Ų62.26%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-111.1125.9-178.1-175.80000110.3V95 V97 L132 A135 M136 F139 H141V95-V144 HydrophobicContact CB-CG2 4.45Å; V95-V144 CarbonylContact O-C 3.54Å; V95-V144 WeakPolarHBondContact O-CA 3.29Å; V97-V144 HydrophobicContact CG2-CG1 4.18Å; L132-V144 HydrophobicContact CD1-CG1 4.07Å; A135-V144 HydrophobicContact CB-CG1 3.72Å; A135-V144 HydrophobicContact CB-CG2 4.34Å; A135-V144 WeakPolarHBondContact O-CG2 3.49Å; M136-V144 HydrophobicContact CE-CB 3.81Å; M136-V144 HydrophobicContact CE-CG1 3.7Å; M136-V144 HydrophobicContact CG-CG1 4.26Å; M136-V144 HydrophobicContact SD-CB 3.75Å; M136-V144 HydrophobicContact SD-CG1 3.94Å; M136-V144 HydrophobicContact SD-CG2 4.21Å; F139-V144 HydrophobicContact CB-CG2 3.68Å; H141-V144 PolarHBondContact O-N 2.76Å
145F98.6Very high97.7Very high61 Ų6161 Ų6127%0.26832%0.317SS..EExtended strand (participates in β ladder)trans-124.5115.4-175.6-55.7-86.2000110.4A94 V95 F96 V97 L147A94-F145 HydrophobicContact CB-CD2 4.45Å; A94-F145 HydrophobicContact CB-CE2 4.01Å; V95-F145 PolarHBondContact O-N 2.98Å; F96-F145 CarbonylContact C-O 3.56Å; F96-F145 WeakPolarHBondContact CA-O 3.42Å; F96-F145 HydrophobicContact CD1-CB 3.67Å; F96-F145 AromaticContact CD1-CD2 3.84Å; F96-F145 HydrophobicContact CD1-CD2 3.84Å; F96-F145 AromaticContact CD1-CG 3.99Å; F96-F145 HydrophobicContact CD1-CG 3.99Å; F96-F145 HydrophobicContact CE1-CB 4.12Å; F96-F145 AromaticContact CE1-CD2 3.59Å; F96-F145 HydrophobicContact CE1-CD2 3.59Å; F96-F145 HydrophobicContact CE1-CE2 4.24Å; F96-F145 AromaticContact CE1-CG 3.92Å; F96-F145 HydrophobicContact CE1-CG 3.92Å; F96-F145 HydrophobicContact CZ-CD2 4.14Å; F96-F145 HydrophobicContact CZ-CE2 4.47Å; V97-F145 PolarHBondContact N-O 2.97Å; F145-L147 HydrophobicContact CB-CD2 4.35Å
146A98.5Very high97.8Very high55 Ų5563 Ų6346%0.45533%0.326SS..EExtended strand (participates in β ladder)trans-80.9122.417000000109.8V97 R99 L132V97-A146 WeakPolarHBondContact O-CA 3.3Å; R99-A146 HydrophobicContact CG-CB 4.31Å; L132-A146 HydrophobicContact CD1-CB 4Å; L132-A146 HydrophobicContact CD2-CB 4.06Å
147L98.8Very high97.8Very high15 Ų1563.9 Ų63.98%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-123119.3-176.8-58.1-174.5000110.8F96 V97 L98 R99 F145 N158 L161 I162F96-L147 HydrophobicContact CB-CD1 3.99Å; F96-L147 HydrophobicContact CD1-CD1 3.79Å; F96-L147 HydrophobicContact CD1-CG 4.39Å; F96-L147 HydrophobicContact CG-CD1 4.28Å; V97-L147 PolarHBondContact O-N 2.84Å; L98-L147 CarbonylContact C-O 3.57Å; L98-L147 WeakPolarHBondContact CA-O 3.49Å; L98-L147 HydrophobicContact CD2-CB 3.88Å; L98-L147 HydrophobicContact CD2-CD1 4.26Å; R99-L147 PolarHBondContact N-O 3.25Å; F145-L147 HydrophobicContact CB-CD2 4.35Å; L147-N158 HydrophobicContact CD1-CB 4.07Å; L147-L161 HydrophobicContact CD1-CD2 4.43Å; L147-L161 HydrophobicContact CD2-CD1 4.42Å; L147-L161 HydrophobicContact CD2-CD2 4.27Å; L147-I162 HydrophobicContact CD1-CD1 4.33Å; L147-I162 HydrophobicContact CD1-CG1 4.45Å
148K98.6Very high97.9Very high105 Ų10558.6 Ų58.646%0.45731%0.306SS..EExtended strand (participates in β ladder)trans-66.7135.7173.1-176.8169179.1154.30110.7R99 D101 N150 N158R99-K148 CarbonylContact O-C 3.54Å; D101-K148 VanDerWaalsContact OD1-CE 3.27Å; D101-K148 WeakPolarHBondContact OD1-CE 3.46Å; D101-K148 IonicContact OD1-NZ 3.91Å; D101-K148 PolarHBondContact OD1-NZ 3.46Å; D101-K148 WeakPolarHBondContact OD2-CE 3.26Å; D101-K148 IonicContact OD2-NZ 2.85Å; D101-K148 PolarHBondContact OD2-NZ 3.09Å; K148-N150 VanDerWaalsContact CE-CG 3.46Å; K148-N150 WeakPolarHBondContact CE-ND2 3.45Å; K148-N150 PolarHBondContact NZ-ND2 3.17Å; K148-N158 PolarHBondContact O-ND2 3.37Å
149N98.8Very high98.1Very high1 Ų157 Ų571%0.00529%0.293CS..  trans-147.469.1-173.5-159.965.6000113.9T17 L98 R99 R108 V155 N158T17-N149 PolarHBondContact O-ND2 2.81Å; L98-N149 HydrophobicContact CB-CB 4.39Å; L98-N149 HydrophobicContact CD1-CB 4.32Å; L98-N149 HydrophobicContact CD2-CB 4.38Å; R99-N149 PolarHBondContact O-N 3.21Å; R108-N149 PolarHBondContact NH1-O 3.18Å; R108-N149 VanDerWaalsContact NH1-O 3.17Å; R108-N149 PolarHBondContact NH2-O 3.05Å; N149-V155 WeakPolarHBondContact OD1-CG2 3.11Å; N149-V155 PolarHBondContact OD1-N 3.28Å; N149-N158 PolarHBondContact OD1-ND2 3.5Å
150N98.5Very high98.1Very high18 Ų1862.3 Ų62.310%0.09632%0.316CS..SBendtrans-92.3-29.4-175.8-72-2.3000114.2D101 I104 R108 K148 D154D101-N150 PolarHBondContact N-OD1 2.95Å; D101-N150 PolarHBondContact OD2-ND2 3.42Å; I104-N150 HydrophobicContact CD1-CB 3.58Å; R108-N150 PolarHBondContact NH2-O 3.12Å; K148-N150 VanDerWaalsContact CE-CG 3.46Å; K148-N150 WeakPolarHBondContact CE-ND2 3.45Å; K148-N150 PolarHBondContact NZ-ND2 3.17Å; N150-D154 WeakPolarHBondContact CA-OD2 3.34Å; N150-D154 VanDerWaalsContact CB-OD2 3.28Å; N150-D154 WeakPolarHBondContact CB-OD2 3.42Å; N150-D154 PolarHBondContact N-OD2 2.94Å
151N98.1Very high98.2Very high78 Ų7863 Ų6342%0.41732%0.316SS..SBendtrans-146.6179.6-171.96153.4000111.8Q153 D154 V155N151-Q153 VanDerWaalsContact C-N 3.29Å; N151-Q153 PolarHBondContact O-N 3.06Å; N151-Q153 WeakPolarHBondContact OD1-CA 3.39Å; N151-Q153 VanDerWaalsContact OD1-CB 3.26Å; N151-Q153 WeakPolarHBondContact OD1-CB 3.24Å; N151-Q153 PolarHBondContact OD1-N 2.88Å; N151-D154 PolarHBondContact N-OD2 2.77Å; N151-D154 VanDerWaalsContact N-OD2 3.13Å; N151-D154 PolarHBondContact ND2-OD2 3.41Å; N151-D154 PolarHBondContact O-N 2.77Å; N151-D154 PolarHBondContact OD1-N 3.38Å; N151-D154 PolarHBondContact OD1-OD2 3.09Å; N151-V155 PolarHBondContact O-N 3.31Å
152E97.9Very high98.3Very high175 Ų17556.7 Ų56.782%0.81829%0.287SS*.Hα-helixtrans-63.7-32.3-179-65-178.6177.200113.3D154 V155 E156E152-D154 VanDerWaalsContact C-N 3.34Å; E152-V155 WeakPolarHBondContact O-CB 3.28Å; E152-V155 PolarHBondContact O-N 3.46Å; E152-E156 PolarHBondContact O-N 2.87Å; E152-E156 VanDerWaalsContact O-N 3.11Å
153Q98.4Very high98.4Very high126 Ų12651 Ų5159%0.58926%0.257SS*.Hα-helixtrans-65.6-41.1176.4-177.860.137.200110.8N151 V155 E156 V157N151-Q153 VanDerWaalsContact C-N 3.29Å; N151-Q153 PolarHBondContact O-N 3.06Å; N151-Q153 WeakPolarHBondContact OD1-CA 3.39Å; N151-Q153 VanDerWaalsContact OD1-CB 3.26Å; N151-Q153 WeakPolarHBondContact OD1-CB 3.24Å; N151-Q153 PolarHBondContact OD1-N 2.88Å; Q153-V155 VanDerWaalsContact C-N 3.33Å; Q153-V155 PolarHBondContact O-N 2.61Å; Q153-E156 PolarHBondContact O-N 3.01Å; Q153-V157 WeakPolarHBondContact O-CG2 3.47Å; Q153-V157 PolarHBondContact O-N 2.98Å
154D98.7Very high98.5Very high35 Ų3551.3 Ų51.319%0.18727%0.266CS..Hα-helixtrans-62.8-41.6174.9-59.7-35.4000111.3N150 N151 E152 E156 V157 N158N150-D154 WeakPolarHBondContact CA-OD2 3.34Å; N150-D154 VanDerWaalsContact CB-OD2 3.28Å; N150-D154 WeakPolarHBondContact CB-OD2 3.42Å; N150-D154 PolarHBondContact N-OD2 2.94Å; N151-D154 PolarHBondContact N-OD2 2.77Å; N151-D154 VanDerWaalsContact N-OD2 3.13Å; N151-D154 PolarHBondContact ND2-OD2 3.41Å; N151-D154 PolarHBondContact O-N 2.77Å; N151-D154 PolarHBondContact OD1-N 3.38Å; N151-D154 PolarHBondContact OD1-OD2 3.09Å; E152-D154 VanDerWaalsContact C-N 3.34Å; D154-E156 VanDerWaalsContact C-N 3.29Å; D154-E156 PolarHBondContact O-N 3.26Å; D154-V157 PolarHBondContact O-N 2.89Å; D154-N158 VanDerWaalsContact O-CB 3.23Å; D154-N158 WeakPolarHBondContact O-CB 3.4Å; D154-N158 PolarHBondContact O-N 3.14Å; D154-N158 PolarHBondContact O-ND2 3.12Å; D154-N158 VanDerWaalsContact O-ND2 3.11Å
155V98.8Very high98.5Very high18 Ų1854.4 Ų54.411%0.10928%0.28CS..Hα-helixtrans-56.4-45.3175.8171.90000110.8T21 V22 R25 N149 N151 E152 Q153 A159T21-V155 HydrophobicContact CG2-CG1 4.08Å; T21-V155 HydrophobicContact CG2-CG2 4.15Å; V22-V155 HydrophobicContact CG2-CB 4.48Å; V22-V155 HydrophobicContact CG2-CG1 4.27Å; V22-V155 HydrophobicContact CG2-CG2 4.18Å; R25-V155 HydrophobicContact CB-CG1 4.09Å; R25-V155 HydrophobicContact CG-CG1 4.31Å; N149-V155 WeakPolarHBondContact OD1-CG2 3.11Å; N149-V155 PolarHBondContact OD1-N 3.28Å; N151-V155 PolarHBondContact O-N 3.31Å; E152-V155 WeakPolarHBondContact O-CB 3.28Å; E152-V155 PolarHBondContact O-N 3.46Å; Q153-V155 VanDerWaalsContact C-N 3.33Å; Q153-V155 PolarHBondContact O-N 2.61Å; V155-A159 VanDerWaalsContact O-CB 3.24Å; V155-A159 WeakPolarHBondContact O-CB 3.27Å; V155-A159 PolarHBondContact O-N 2.95Å
156E98.6Very high98.4Very high40 Ų4052.3 Ų52.319%0.18727%0.271CS..Hα-helixtrans-66.7-42.2179.5-177.661.7-165.600112.3R25 E152 Q153 D154 K160R25-E156 IonicContact CZ-OE2 2.79Å; R25-E156 IonicContact NE-OE2 2.61Å; R25-E156 PolarHBondContact NE-OE2 2.78Å; R25-E156 IonicContact NH2-OE1 3.01Å; R25-E156 PolarHBondContact NH2-OE1 3.03Å; R25-E156 VanDerWaalsContact NH2-OE1 3.15Å; R25-E156 IonicContact NH2-OE2 3.13Å; R25-E156 PolarHBondContact NH2-OE2 2.99Å; E152-E156 PolarHBondContact O-N 2.87Å; E152-E156 VanDerWaalsContact O-N 3.11Å; Q153-E156 PolarHBondContact O-N 3.01Å; D154-E156 VanDerWaalsContact C-N 3.29Å; D154-E156 PolarHBondContact O-N 3.26Å; E156-K160 HydrophobicContact CG-CD 4.34Å; E156-K160 WeakPolarHBondContact O-CB 3.38Å; E156-K160 WeakPolarHBondContact O-CG 3.3Å; E156-K160 PolarHBondContact O-N 2.83Å; E156-K160 VanDerWaalsContact O-N 3.09Å; E156-K160 WeakPolarHBondContact OE1-CE 3.34Å; E156-K160 IonicContact OE1-NZ 3.5Å; E156-K160 PolarHBondContact OE1-NZ 3.42Å
157V98.7Very high98.2Very high75 Ų7558.2 Ų58.246%0.45528%0.281SS..Hα-helixtrans-63.2-49176.7170.30000110.6Q153 D154 K160 L161Q153-V157 WeakPolarHBondContact O-CG2 3.47Å; Q153-V157 PolarHBondContact O-N 2.98Å; D154-V157 PolarHBondContact O-N 2.89Å; V157-K160 PolarHBondContact O-N 2.88Å; V157-L161 PolarHBondContact O-N 2.94Å
158N98.8Very high97.9Very high10 Ų1060.7 Ų60.75%0.05330%0.3CS..Hα-helixtrans-63.8-44.8-178.9-69.6-26.6000111.4V22 L147 K148 N149 D154 K160 L161 I162V22-N158 HydrophobicContact CG1-CB 4.44Å; L147-N158 HydrophobicContact CD1-CB 4.07Å; K148-N158 PolarHBondContact O-ND2 3.37Å; N149-N158 PolarHBondContact OD1-ND2 3.5Å; D154-N158 VanDerWaalsContact O-CB 3.23Å; D154-N158 WeakPolarHBondContact O-CB 3.4Å; D154-N158 PolarHBondContact O-N 3.14Å; D154-N158 PolarHBondContact O-ND2 3.12Å; D154-N158 VanDerWaalsContact O-ND2 3.11Å; N158-K160 PolarHBondContact O-N 3.39Å; N158-L161 PolarHBondContact O-N 3.47Å; N158-I162 WeakPolarHBondContact O-CD1 3.47Å; N158-I162 VanDerWaalsContact O-CG1 3.29Å; N158-I162 WeakPolarHBondContact O-CG1 2.86Å; N158-I162 PolarHBondContact O-N 3.34Å
159A98.8Very high97.5Very high0 Ų058.8 Ų58.80%029%0.29CS..Hα-helixtrans-61.9-43177.300000111.9R25 V26 L29 V155 L161 I162 V163R25-A159 HydrophobicContact CB-CB 3.91Å; R25-A159 HydrophobicContact CG-CB 3.43Å; R25-A159 VanDerWaalsContact CG-CB 3.43Å; V26-A159 HydrophobicContact CG2-CB 3.87Å; L29-A159 HydrophobicContact CD1-CB 4.26Å; V155-A159 VanDerWaalsContact O-CB 3.24Å; V155-A159 WeakPolarHBondContact O-CB 3.27Å; V155-A159 PolarHBondContact O-N 2.95Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.08Å; A159-I162 PolarHBondContact O-N 3.47Å; A159-V163 WeakPolarHBondContact O-CB 3.49Å; A159-V163 WeakPolarHBondContact O-CG2 3.44Å; A159-V163 PolarHBondContact O-N 3.44Å
160K98.6Very high96.7Very high118 Ų11867.2 Ų67.251%0.51333%0.326SS..Hα-helixtrans-62.4-40174.9-79.3172171.8148.10112.5E156 V157 N158 V163 S164E156-K160 HydrophobicContact CG-CD 4.34Å; E156-K160 WeakPolarHBondContact O-CB 3.38Å; E156-K160 WeakPolarHBondContact O-CG 3.3Å; E156-K160 PolarHBondContact O-N 2.83Å; E156-K160 VanDerWaalsContact O-N 3.09Å; E156-K160 WeakPolarHBondContact OE1-CE 3.34Å; E156-K160 IonicContact OE1-NZ 3.5Å; E156-K160 PolarHBondContact OE1-NZ 3.42Å; V157-K160 PolarHBondContact O-N 2.88Å; N158-K160 PolarHBondContact O-N 3.39Å; K160-V163 PolarHBondContact O-N 3.11Å; K160-S164 WeakPolarHBondContact O-CB 3.22Å; K160-S164 PolarHBondContact O-N 2.78Å
161L98.6Very high95.3Very high67 Ų6771.8 Ų71.835%0.35135%0.347SS..Hα-helixtrans-62.2-49.3176.1-179.1147.5000111.1F96 L147 V157 N158 A159 V163 S164 Q165F96-L161 HydrophobicContact CD1-CD2 4.23Å; F96-L161 HydrophobicContact CE1-CD2 3.75Å; L147-L161 HydrophobicContact CD1-CD2 4.43Å; L147-L161 HydrophobicContact CD2-CD1 4.42Å; L147-L161 HydrophobicContact CD2-CD2 4.27Å; V157-L161 PolarHBondContact O-N 2.94Å; N158-L161 PolarHBondContact O-N 3.47Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 3.08Å; L161-V163 VanDerWaalsContact C-N 3.33Å; L161-V163 PolarHBondContact O-N 2.7Å; L161-S164 VanDerWaalsContact O-CB 3.3Å; L161-S164 WeakPolarHBondContact O-CB 3.35Å; L161-S164 PolarHBondContact O-N 2.85Å; L161-S164 VanDerWaalsContact O-N 3.15Å; L161-Q165 HydrophobicContact CD2-CG 4.46Å; L161-Q165 WeakPolarHBondContact O-CG 3.46Å; L161-Q165 PolarHBondContact O-N 3.23Å
162I98.7Very high93.7Very high0 Ų071.4 Ų71.40%035%0.348CS..Hα-helixtrans-61.9-42.5178.6-65.2158.6000110.8F9 I11 V22 V26 I78 F96 L147 N158 A159 S164 Q165 Y166F9-I162 HydrophobicContact CD2-CG2 3.64Å; F9-I162 HydrophobicContact CE2-CG2 4.03Å; I11-I162 HydrophobicContact CD1-CD1 3.62Å; I11-I162 HydrophobicContact CD1-CG1 4.42Å; V22-I162 HydrophobicContact CG1-CD1 3.68Å; V26-I162 HydrophobicContact CG1-CG2 4.02Å; V26-I162 HydrophobicContact CG2-CB 3.95Å; V26-I162 HydrophobicContact CG2-CD1 3.95Å; V26-I162 HydrophobicContact CG2-CG2 3.91Å; I78-I162 HydrophobicContact CD1-CG2 4.42Å; F96-I162 HydrophobicContact CD1-CG1 3.84Å; F96-I162 HydrophobicContact CD2-CG1 4.08Å; F96-I162 HydrophobicContact CE1-CG1 3.87Å; F96-I162 HydrophobicContact CE2-CG1 4.09Å; F96-I162 HydrophobicContact CE2-CG2 4.15Å; F96-I162 HydrophobicContact CG-CD1 4.31Å; F96-I162 HydrophobicContact CG-CG1 3.94Å; F96-I162 HydrophobicContact CZ-CB 4.47Å; F96-I162 HydrophobicContact CZ-CG1 3.99Å; F96-I162 HydrophobicContact CZ-CG2 4.4Å; L147-I162 HydrophobicContact CD1-CD1 4.33Å; L147-I162 HydrophobicContact CD1-CG1 4.45Å; N158-I162 WeakPolarHBondContact O-CD1 3.47Å; N158-I162 VanDerWaalsContact O-CG1 3.29Å; N158-I162 WeakPolarHBondContact O-CG1 2.86Å; N158-I162 PolarHBondContact O-N 3.34Å; A159-I162 PolarHBondContact O-N 3.47Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 2.86Å; I162-Q165 WeakPolarHBondContact O-CB 3.32Å; I162-Q165 PolarHBondContact O-N 3.28Å; I162-Y166 PolarHBondContact O-N 3.5Å
163V98.4Very high91.9Very high4 Ų469.3 Ų69.32%0.02434%0.343CS..Hα-helixtrans-65.5-36.4176.3170.60000111.5V26 L29 A30 A159 K160 L161 Y166 R167V26-V163 HydrophobicContact CG1-CG2 4.16Å; L29-V163 HydrophobicContact CB-CG1 4.35Å; L29-V163 HydrophobicContact CB-CG2 3.57Å; L29-V163 HydrophobicContact CD1-CG2 4.27Å; A30-V163 HydrophobicContact CB-CG1 4.33Å; A30-V163 HydrophobicContact CB-CG2 4.05Å; A159-V163 WeakPolarHBondContact O-CB 3.49Å; A159-V163 WeakPolarHBondContact O-CG2 3.44Å; A159-V163 PolarHBondContact O-N 3.44Å; K160-V163 PolarHBondContact O-N 3.11Å; L161-V163 VanDerWaalsContact C-N 3.33Å; L161-V163 PolarHBondContact O-N 2.7Å; V163-Y166 WeakPolarHBondContact O-CB 3.46Å; V163-Y166 PolarHBondContact O-N 3.36Å; V163-R167 HydrophobicContact CG1-CG 4.48Å; V163-R167 VanDerWaalsContact CG1-CZ 3.48Å; V163-R167 VanDerWaalsContact O-CG 3.28Å; V163-R167 WeakPolarHBondContact O-CG 3.4Å; V163-R167 PolarHBondContact O-N 2.91Å
164S97.9Very high89.7Confident68 Ų6869 Ų6948%0.47635%0.345SS..Hα-helixtrans-60.1-49.6172.7-170.60000110.1K160 L161 I162 Y166 R167 S168K160-S164 WeakPolarHBondContact O-CB 3.22Å; K160-S164 PolarHBondContact O-N 2.78Å; L161-S164 VanDerWaalsContact O-CB 3.3Å; L161-S164 WeakPolarHBondContact O-CB 3.35Å; L161-S164 PolarHBondContact O-N 2.85Å; L161-S164 VanDerWaalsContact O-N 3.15Å; I162-S164 VanDerWaalsContact C-N 3.32Å; I162-S164 PolarHBondContact O-N 2.86Å; S164-Y166 VanDerWaalsContact C-N 3.3Å; S164-Y166 PolarHBondContact O-N 3.47Å; S164-R167 PolarHBondContact O-N 3.4Å; S164-S168 PolarHBondContact O-N 3.24Å; S164-S168 PolarHBondContact O-OG 2.84Å
165Q96.6Very high87.2Confident73 Ų7375.7 Ų75.734%0.34137%0.373SS..Hα-helixtrans-57.5-40.4175.5-66.4-61.2-24.700112.5F9 F96 L161 I162 R167 S168 W169F9-Q165 HydrophobicContact CE2-CB 4.36Å; F9-Q165 HydrophobicContact CZ-CB 4.03Å; F96-Q165 HydrophobicContact CE1-CG 4.38Å; F96-Q165 HydrophobicContact CZ-CB 4.3Å; F96-Q165 HydrophobicContact CZ-CG 4.16Å; L161-Q165 HydrophobicContact CD2-CG 4.46Å; L161-Q165 WeakPolarHBondContact O-CG 3.46Å; L161-Q165 PolarHBondContact O-N 3.23Å; I162-Q165 WeakPolarHBondContact O-CB 3.32Å; I162-Q165 PolarHBondContact O-N 3.28Å; Q165-R167 PolarHBondContact O-N 3.34Å; Q165-S168 PolarHBondContact O-OG 3.13Å; Q165-W169 PolarHBondContact O-N 2.89Å; Q165-W169 VanDerWaalsContact O-N 3.12Å
166Y96.9Very high84.6Confident18 Ų1886 Ų867%0.07141%0.41CS..Hα-helixtrans-59.9-44.8173.9177-101.5000112.1K6 P7 A30 P31 L32 N76 I162 V163 S164 W169K6-Y166 HydrophobicContact CD-CE2 4.39Å; P7-Y166 HydrophobicContact CG-CD2 3.76Å; P7-Y166 HydrophobicContact CG-CE2 4.24Å; A30-Y166 HydrophobicContact CB-CD1 3.9Å; A30-Y166 HydrophobicContact CB-CE1 4.29Å; A30-Y166 HydrophobicContact CB-CG 4.33Å; P31-Y166 HydrophobicContact CG-CE1 4.18Å; L32-Y166 HydrophobicContact CD1-CD2 3.95Å; L32-Y166 HydrophobicContact CD1-CE2 4.49Å; L32-Y166 HydrophobicContact CD1-CG 4.3Å; L32-Y166 HydrophobicContact CD2-CD2 3.63Å; L32-Y166 HydrophobicContact CD2-CE2 3.51Å; L32-Y166 HydrophobicContact CG-CD2 3.84Å; L32-Y166 HydrophobicContact CG-CE2 3.87Å; L32-Y166 HydrophobicContact CG-CG 4.46Å; N76-Y166 WeakPolarHBondContact OD1-CE2 3.45Å; N76-Y166 PolarHBondContact OD1-OH 2.91Å; I162-Y166 PolarHBondContact O-N 3.5Å; V163-Y166 WeakPolarHBondContact O-CB 3.46Å; V163-Y166 PolarHBondContact O-N 3.36Å; S164-Y166 VanDerWaalsContact C-N 3.3Å; S164-Y166 PolarHBondContact O-N 3.47Å; Y166-W169 WeakPolarHBondContact O-CB 3.35Å; Y166-W169 PolarHBondContact O-N 3.31Å
167R95.1Very high81.7Confident179 Ų17989.5 Ų89.568%0.67544%0.437SS*.Hα-helixtrans-74.6-33.4-175.7-71.1172.8-175.6176.44112.9L29 V163 S164 Q165 W169L29-R167 PolarHBondContact O-NH2 3.07Å; V163-R167 HydrophobicContact CG1-CG 4.48Å; V163-R167 VanDerWaalsContact CG1-CZ 3.48Å; V163-R167 VanDerWaalsContact O-CG 3.28Å; V163-R167 WeakPolarHBondContact O-CG 3.4Å; V163-R167 PolarHBondContact O-N 2.91Å; S164-R167 PolarHBondContact O-N 3.4Å; Q165-R167 PolarHBondContact O-N 3.34Å; R167-W169 VanDerWaalsContact C-N 3.29Å
168S93.2Very high78.8Confident67 Ų6790.6 Ų90.647%0.46945%0.448SS..Hα-helixtrans-85.9-0.7176.650.40000113.1S164 Q165 K170S164-S168 PolarHBondContact O-N 3.24Å; S164-S168 PolarHBondContact O-OG 2.84Å; Q165-S168 PolarHBondContact O-OG 3.13Å; S168-K170 PolarHBondContact O-N 3.45Å
169W90Very high75.9Confident65 Ų6599.6 Ų99.625%0.24649%0.487CS..  trans-56.9115.2177.2-176.1-102.5000111.3P7 D93 Q165 Y166 R167 P172P7-W169 HydrophobicContact CB-CD2 3.61Å; P7-W169 HydrophobicContact CB-CE3 3.91Å; P7-W169 HydrophobicContact CB-CG 3.91Å; P7-W169 HydrophobicContact CB-CZ2 4.27Å; P7-W169 HydrophobicContact CB-CZ3 4.37Å; P7-W169 HydrophobicContact CG-CB 3.93Å; P7-W169 HydrophobicContact CG-CD2 3.95Å; P7-W169 HydrophobicContact CG-CE3 4.43Å; P7-W169 HydrophobicContact CG-CG 3.69Å; D93-W169 HydrophobicContact CB-CH2 3.46Å; D93-W169 VanDerWaalsContact CB-CH2 3.46Å; D93-W169 HydrophobicContact CB-CZ2 4.06Å; D93-W169 HydrophobicContact CB-CZ3 3.84Å; Q165-W169 PolarHBondContact O-N 2.89Å; Q165-W169 VanDerWaalsContact O-N 3.12Å; Y166-W169 WeakPolarHBondContact O-CB 3.35Å; Y166-W169 PolarHBondContact O-N 3.31Å; R167-W169 VanDerWaalsContact C-N 3.29Å; W169-P172 HydrophobicContact CH2-CG 4.47Å; W169-P172 HydrophobicContact CZ2-CG 4.35Å
170K81.2Confident73.1Confident177 Ų177109.8 Ų109.877%0.7753%0.531SS*.  trans-105.2139.4168.8-64.9178.7-176.2179.20107.3S168 P172S168-K170 PolarHBondContact O-N 3.45Å; K170-P172 WeakPolarHBondContact O-CD 3.44Å
171Q69.4Low70.3Confident115 Ų115109.4 Ų109.454%0.53755%0.55SS..PPolyproline II helixtrans-57.7126.8169.8-70.2179.314.400108D173Q171-D173 PolarHBondContact O-N 3.28Å
172P63.5Low67.5Low69 Ų69109.6 Ų109.645%0.44857%0.568SS.*PPolyproline II helixtrans-67.5128.9-179.3-4.313.5000109.3R3 W169 K170 D174R3-P172 PolarHBondContact NH1-O 3.43Å; R3-P172 VanDerWaalsContact NH1-O 3.11Å; W169-P172 HydrophobicContact CH2-CG 4.47Å; W169-P172 HydrophobicContact CZ2-CG 4.35Å; K170-P172 WeakPolarHBondContact O-CD 3.44Å; P172-D174 PolarHBondContact O-N 2.94Å
173D61Low64.8Low132 Ų132118.4 Ų118.471%0.70661%0.614SS**PPolyproline II helixtrans-51129.8179.9-73.3-24.8000111.1Q171 K175Q171-D173 PolarHBondContact O-N 3.28Å; D173-K175 HydrophobicContact CB-CG 4.31Å; D173-K175 PolarHBondContact O-N 2.87Å
174D52.6Low62Low118 Ų118124 Ų12463%0.63165%0.652SS**  trans-74.471177.9-166.92.2000110.9P172 R176P172-D174 PolarHBondContact O-N 2.94Å; D174-R176 VanDerWaalsContact C-N 3.25Å; D174-R176 PolarHBondContact O-N 3.18Å
175K46.1Very low59.4Low177 Ų177125.6 Ų125.677%0.7766%0.663SS**THydrogen-bonded Turntrans-85.616.2175.4-70.1-166.1-178.9179.10113.8D173D173-K175 HydrophobicContact CB-CG 4.31Å; D173-K175 PolarHBondContact O-N 2.87Å
176R43.8Very low57Low235 Ų235128.2 Ų128.289%0.88769%0.69SS**THydrogen-bonded Turntrans-104.1-6.7179.3-120.5-178.9-164.2-170.65.9115.4D174 S178D174-R176 VanDerWaalsContact C-N 3.25Å; D174-R176 PolarHBondContact O-N 3.18Å; R176-S178 PolarHBondContact O-N 2.82Å
177C37.2Very low54.2Low113 Ų113132.1 Ų132.176%0.76472%0.72SS**SBendtrans-94.354.6176.6-134.50000113.1
178S38.5Very low52Low97 Ų97136.6 Ų136.668%0.67875%0.748SS**  trans-15743.4171.569.90000114.5R176R176-S178 PolarHBondContact O-N 2.82Å
179K38.1Very low49.9Very low200 Ų200140.1 Ų140.187%0.8776%0.762SS**SBendtrans-146.792.6163.6-77.3-167.9179.3176.30111
180K39.5Very low47.8Very low214 Ų214144.1 Ų144.193%0.9379%0.789SS**  trans162.964.5141.9-88.4176.4-175.9-172.10110
181A40.5Very low45.9Very low109 Ų109142.2 Ų142.290%0.90179%0.791SS**  trans-126.597.6156.600000105.3
182G39.1Very low44.5Very low71 Ų71143.8 Ų143.873%0.73281%0.805SS**  trans159.149.7-174.400000114.4
183L42.3Very low43.4Very low185 Ų185148.5 Ų148.597%0.96983%0.828SS**  trans-136.779.1151.1-89.7115.1000105.4
184C39Very low42.2Very low123 Ų123149.6 Ų149.683%0.83184%0.836SS**  trans-106.2122.4166.4-127.80000106.7
185S42.9Very low41.4Very low101 Ų101151.9 Ų151.971%0.70685%0.851SS**  trans-40.6126.4174.945.40000113.7
186S46.3Very low41.1Very low128 Ų128149.9 Ų149.990%0.89586%0.857SS**  trans-92.397.4151.3-65.20000107.2
187S38.9Very low40.9Very low100 Ų100142.8 Ų142.870%0.69985%0.854SS**  trans-81126.7155.6-60.80000107.3
188E47.9Very low41.2Very low273 Ų273145.5 Ų145.5100%1.27686%0.862SS**  trans1740133.7-93.3176.2175.600109.4

Retrieved 188 of 188 residues in 69.7 ms (Link to these results)

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