A0A087XCE8_POEFO Loading...

Poly [ADP-ribose] polymerase

Intracellular mono-ADP-ribosyltransferase that plays a role in different processes, such as protein translation and unfolded protein response (UPR), through the mono-ADP-ribosylation of proteins involved in those processes. Acts as an inhibitor of protein translation by catalyzing mono-ADP-ribosylation of ribosomal subunits, such as RPL14 and RPS6, thereby inhibiting polysome assembly and mRNA loading. Mono-ADP-ribosylation of ribosomal subunits is promoted by NMNAT2. Involved in the unfolded protein response (UPR) by ADP-ribosylating and activating EIF2AK3 and ERN1, two important UPR effectors. May also mediate mono-ADP-ribosylation of karyopherin KPNB1 a nuclear import factor. May not modify proteins on arginine or cysteine residues compared to other mono-ADP-ribosyltransferases.

AlphaFold DB , UniProt , Accession A0A087XCE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 328 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
1M46.3Very low76.9Confident231 Ų231100 Ų100100%1.13855%0.549SS*.  0133.80-66.8176.8-164.300107.3
2Q47.3Very low78.2Confident163 Ų163103.8 Ų103.876%0.76256%0.56SS**PPolyproline II helixtrans-61.9139.5168.7-81-176.7-54.900108.2
3P57.5Low79.3Confident109 Ų109102.2 Ų102.271%0.70855%0.55SS**PPolyproline II helixtrans-57.2143.5175.924.2-32.1000109.3L5P3-L5 PolarHBondContact O-N 3.33Å
4P70.8Confident80.4Confident128 Ų12895.1 Ų95.183%0.83151%0.512SS*.PPolyproline II helixtrans-57.6126.6177.123.6-31.2000108.7
5L82.2Confident81.2Confident84 Ų8491.1 Ų91.144%0.4450%0.495SS..PPolyproline II helixtrans-60146.1175.5-71.3173.4000109.5P3 V10 L13P3-L5 PolarHBondContact O-N 3.33Å; L5-V10 HydrophobicContact CB-CG2 3.66Å; L5-L13 HydrophobicContact CD1-CD1 3.84Å
6P88.3Confident81.9Confident79 Ų7989.9 Ų89.951%0.51350%0.495SS..PPolyproline II helixtrans-60.1143.8175.223.8-30.7000109.9E8 A9 V10P6-E8 PolarHBondContact O-N 3.41Å; P6-E8 VanDerWaalsContact O-N 3.1Å; P6-A9 HydrophobicContact CG-CB 3.82Å; P6-A9 PolarHBondContact O-N 2.81Å; P6-V10 PolarHBondContact O-N 2.76Å; P6-V10 VanDerWaalsContact O-N 3.09Å
7P87.8Confident82.6Confident73 Ų7386.6 Ų86.647%0.47448%0.48SS..Hα-helixtrans-54.2-33.4-175.4-28.935.3000114.5V10 R11P7-V10 PolarHBondContact O-N 3.43Å; P7-R11 WeakPolarHBondContact O-CB 3.46Å; P7-R11 PolarHBondContact O-N 3.35Å
8E88.9Confident83.2Confident151 Ų15182.1 Ų82.171%0.70645%0.454SS*.Hα-helixtrans-65.5-46177.4-65.4179173.800111.8P6 V10 R11 E12P6-E8 PolarHBondContact O-N 3.41Å; P6-E8 VanDerWaalsContact O-N 3.1Å; E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3Å; E8-R11 WeakPolarHBondContact O-CB 3.42Å; E8-R11 PolarHBondContact O-N 3.14Å; E8-E12 PolarHBondContact O-N 3.02Å
9A91.6Very high83.7Confident29 Ų2984.3 Ų84.324%0.2446%0.46CS..Hα-helixtrans-64.4-39.5175.800000111.8P6 R11 E12 L13P6-A9 HydrophobicContact CG-CB 3.82Å; P6-A9 PolarHBondContact O-N 2.81Å; A9-R11 VanDerWaalsContact C-N 3.3Å; A9-R11 PolarHBondContact O-N 3.47Å; A9-E12 PolarHBondContact O-N 3.29Å; A9-L13 WeakPolarHBondContact O-CB 3.43Å; A9-L13 VanDerWaalsContact O-CG 3.27Å; A9-L13 WeakPolarHBondContact O-CG 3.35Å; A9-L13 PolarHBondContact O-N 2.72Å
10V92.5Very high84.2Confident12 Ų1289.9 Ų89.97%0.07347%0.474CS..Hα-helixtrans-58.2-45.8174.5172.90000110.5L5 P6 P7 E8 L13 V14 L88 H92L5-V10 HydrophobicContact CB-CG2 3.66Å; P6-V10 PolarHBondContact O-N 2.76Å; P6-V10 VanDerWaalsContact O-N 3.09Å; P7-V10 PolarHBondContact O-N 3.43Å; E8-V10 VanDerWaalsContact C-N 3.34Å; E8-V10 PolarHBondContact O-N 3Å; V10-L13 PolarHBondContact O-N 3.43Å; V10-V14 HydrophobicContact CG1-CG2 4.42Å; V10-V14 WeakPolarHBondContact O-CB 3.19Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.4Å; V10-V14 PolarHBondContact O-N 3.02Å; V10-L88 HydrophobicContact CG1-CB 4.33Å; V10-H92 HydrophobicContact CG1-CB 3.63Å
11R92.8Very high84.7Confident41 Ų4187.1 Ų87.116%0.15546%0.46CS..Hα-helixtrans-62.4-45.6179.5-177.1177.5-63.5-96.9-2.3112.1P7 E8 A9 V14 S15 L79 R80 E83 D85 L88P7-R11 WeakPolarHBondContact O-CB 3.46Å; P7-R11 PolarHBondContact O-N 3.35Å; E8-R11 WeakPolarHBondContact O-CB 3.42Å; E8-R11 PolarHBondContact O-N 3.14Å; A9-R11 VanDerWaalsContact C-N 3.3Å; A9-R11 PolarHBondContact O-N 3.47Å; R11-V14 PolarHBondContact O-N 3.3Å; R11-S15 WeakPolarHBondContact O-CB 3.39Å; R11-S15 PolarHBondContact O-N 3.4Å; R11-L79 PolarHBondContact NH1-O 3.15Å; R11-R80 VanDerWaalsContact NH1-C 3.35Å; R11-R80 PolarHBondContact NH1-O 2.78Å; R11-R80 PolarHBondContact NH2-O 3.47Å; R11-R80 VanDerWaalsContact NH2-O 3.09Å; R11-E83 PolarHBondContact NH2-O 3.36Å; R11-D85 IonicContact CZ-OD1 2.76Å; R11-D85 IonicContact NH2-OD1 3.77Å; R11-D85 PolarHBondContact NH2-OD1 3.35Å; R11-L88 HydrophobicContact CB-CD1 4.12Å; R11-L88 HydrophobicContact CG-CD1 4.02Å; R11-L88 VanDerWaalsContact NH2-CD1 3.34Å
12E91.9Very high87.1Confident145 Ų14578.4 Ų78.468%0.67842%0.421SS*.Hα-helixtrans-61.5-44.8177.2-72-179.4173.300111.9E8 A9 S15 S16E8-E12 PolarHBondContact O-N 3.02Å; A9-E12 PolarHBondContact O-N 3.29Å; E12-S15 PolarHBondContact O-N 3.2Å; E12-S16 VanDerWaalsContact O-CB 3.29Å; E12-S16 WeakPolarHBondContact O-CB 3.1Å; E12-S16 PolarHBondContact O-N 2.92Å
13L93.3Very high89.4Confident83 Ų8372.2 Ų72.244%0.43539%0.394SS..Hα-helixtrans-64.5-44.2178.8-72.1171000112.4L5 A9 V10 C17L5-L13 HydrophobicContact CD1-CD1 3.84Å; A9-L13 WeakPolarHBondContact O-CB 3.43Å; A9-L13 VanDerWaalsContact O-CG 3.27Å; A9-L13 WeakPolarHBondContact O-CG 3.35Å; A9-L13 PolarHBondContact O-N 2.72Å; V10-L13 PolarHBondContact O-N 3.43Å; L13-C17 PolarHBondContact O-N 2.68Å; L13-C17 PolarHBondContact O-SG 3.36Å
14V93.9Very high91.3Very high3 Ų367.2 Ų67.22%0.01836%0.362CS..Hα-helixtrans-63.4-51.1175.9171.30000109.6V10 R11 S16 C17 L18 L88 V91 H92V10-V14 HydrophobicContact CG1-CG2 4.42Å; V10-V14 WeakPolarHBondContact O-CB 3.19Å; V10-V14 VanDerWaalsContact O-CG2 3.29Å; V10-V14 WeakPolarHBondContact O-CG2 3.4Å; V10-V14 PolarHBondContact O-N 3.02Å; R11-V14 PolarHBondContact O-N 3.3Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 3.02Å; V14-C17 WeakPolarHBondContact O-CB 3.43Å; V14-C17 PolarHBondContact O-N 3.31Å; V14-C17 VanDerWaalsContact O-N 3.1Å; V14-L18 HydrophobicContact CG1-CD1 3.75Å; V14-L18 HydrophobicContact CG1-CG 4.02Å; V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.32Å; V14-L18 PolarHBondContact O-N 3.09Å; V14-L88 HydrophobicContact CB-CD2 4.33Å; V14-L88 HydrophobicContact CG1-CD2 3.89Å; V14-V91 HydrophobicContact CG1-CB 4.48Å; V14-V91 HydrophobicContact CG1-CG1 3.74Å; V14-V91 HydrophobicContact CG2-CG1 4.33Å; V14-H92 HydrophobicContact CG2-CB 3.56Å
15S92.7Very high92.6Very high36 Ų3661.4 Ų61.425%0.25232%0.324SS..Hα-helixtrans-55.4-47179.1-174.60000111.3R11 E12 C17 L18 H19R11-S15 WeakPolarHBondContact O-CB 3.39Å; R11-S15 PolarHBondContact O-N 3.4Å; E12-S15 PolarHBondContact O-N 3.2Å; S15-C17 PolarHBondContact O-N 3.01Å; S15-L18 PolarHBondContact O-N 3.06Å; S15-H19 PolarHBondContact O-N 3.44Å; S15-H19 PolarHBondContact O-ND1 3.02Å; S15-H19 PolarHBondContact OG-CE1 3.34Å; S15-H19 PolarHBondContact OG-ND1 3.14Å
16S93.1Very high93.3Very high71 Ų7157.4 Ų57.450%0.49730%0.303SS..Hα-helixtrans-58.4-45.3176.4-178.60000112.4E12 V14 H19 R20E12-S16 VanDerWaalsContact O-CB 3.29Å; E12-S16 WeakPolarHBondContact O-CB 3.1Å; E12-S16 PolarHBondContact O-N 2.92Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 3.02Å; S16-H19 PolarHBondContact O-N 3.39Å; S16-R20 WeakPolarHBondContact O-CB 3.42Å; S16-R20 PolarHBondContact O-N 3.37Å
17C92.9Very high93.8Very high35 Ų3553.7 Ų53.724%0.23628%0.279CS..Hα-helixtrans-61.7-45.1175.6-71.90000112.5L13 V14 S15 H19 R20 D21 L95L13-C17 PolarHBondContact O-N 2.68Å; L13-C17 PolarHBondContact O-SG 3.36Å; V14-C17 WeakPolarHBondContact O-CB 3.43Å; V14-C17 PolarHBondContact O-N 3.31Å; V14-C17 VanDerWaalsContact O-N 3.1Å; S15-C17 PolarHBondContact O-N 3.01Å; C17-H19 VanDerWaalsContact C-N 3.34Å; C17-H19 PolarHBondContact O-N 3.18Å; C17-R20 PolarHBondContact O-N 3.22Å; C17-D21 PolarHBondContact O-N 3.13Å; C17-L95 HydrophobicContact CB-CD1 4.04Å
18L93.4Very high94.2Very high4 Ų451.4 Ų51.42%0.02126%0.261CS..Hα-helixtrans-67.4-32.6-179.3-63.4-175.1000112.2V14 S15 P22 A25 V73 L76 V77 L95V14-L18 HydrophobicContact CG1-CD1 3.75Å; V14-L18 HydrophobicContact CG1-CG 4.02Å; V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.32Å; V14-L18 PolarHBondContact O-N 3.09Å; S15-L18 PolarHBondContact O-N 3.06Å; L18-P22 WeakPolarHBondContact O-CA 3.39Å; L18-P22 VanDerWaalsContact O-CB 3.26Å; L18-P22 WeakPolarHBondContact O-CB 3.49Å; L18-P22 WeakPolarHBondContact O-CD 3.5Å; L18-A25 HydrophobicContact CD2-CB 3.5Å; L18-V73 HydrophobicContact CB-CG1 4.24Å; L18-V73 HydrophobicContact CD1-CG1 4.27Å; L18-V73 HydrophobicContact CD2-CG1 3.87Å; L18-V73 HydrophobicContact CD2-CG2 4.16Å; L18-V73 HydrophobicContact CG-CG1 4.32Å; L18-L76 HydrophobicContact CD1-CB 3.83Å; L18-L76 HydrophobicContact CD1-CD1 4.45Å; L18-V77 HydrophobicContact CB-CG2 3.69Å; L18-V77 HydrophobicContact CD1-CG2 3.64Å; L18-V77 HydrophobicContact CG-CG2 4.31Å; L18-L95 HydrophobicContact CD2-CD1 4.03Å
19H93.2Very high94.6Very high124 Ų12444.2 Ų44.257%0.57423%0.228SC*.Hα-helixtrans-74.5-35.9174.6-75.194.8000112.7S15 S16 C17 V77S15-H19 PolarHBondContact O-N 3.44Å; S15-H19 PolarHBondContact O-ND1 3.02Å; S15-H19 PolarHBondContact OG-CE1 3.34Å; S15-H19 PolarHBondContact OG-ND1 3.14Å; S16-H19 PolarHBondContact O-N 3.39Å; C17-H19 VanDerWaalsContact C-N 3.34Å; C17-H19 PolarHBondContact O-N 3.18Å; H19-V77 VanDerWaalsContact CE1-CG1 3.4Å; H19-V77 WeakPolarHBondContact CE1-CG1 3.22Å
20R93.7Very high94.9Very high196 Ų19642.9 Ų42.974%0.7422%0.216SC*.Hα-helixtrans-70.2-49.7-177-175.4177.766.5-155.6-2112.8S16 C17S16-R20 WeakPolarHBondContact O-CB 3.42Å; S16-R20 PolarHBondContact O-N 3.37Å; C17-R20 PolarHBondContact O-N 3.22Å
21D95.4Very high95.2Very high32 Ų3242.3 Ų42.317%0.17121%0.213CC..  trans-147.783.2177.6-167.7-20.9000110C17 V23 A24 A25 T104C17-D21 PolarHBondContact O-N 3.13Å; D21-V23 PolarHBondContact O-N 3Å; D21-V23 PolarHBondContact OD1-N 2.98Å; D21-A24 HydrophobicContact CB-CB 4.07Å; D21-A24 PolarHBondContact O-N 3.05Å; D21-A24 WeakPolarHBondContact OD1-CB 3.23Å; D21-A24 PolarHBondContact OD1-N 3.45Å; D21-A24 WeakPolarHBondContact OD2-CB 3.41Å; D21-A25 WeakPolarHBondContact O-CB 3.47Å; D21-A25 PolarHBondContact O-N 3.28Å; D21-T104 VanDerWaalsContact CG-OG1 3.3Å; D21-T104 PolarHBondContact OD1-OG1 3.13Å; D21-T104 WeakPolarHBondContact OD2-CB 3.41Å; D21-T104 PolarHBondContact OD2-N 3.2Å; D21-T104 PolarHBondContact OD2-OG1 3.24Å; D21-T104 VanDerWaalsContact OD2-OG1 3.1Å
22P95.8Very high95.4Very high49 Ų4940.4 Ų40.432%0.31821%0.206SC..Hα-helixtrans-63.3-29.3-177.521.5-30.7000112.5L18 D26 V73 I209L18-P22 WeakPolarHBondContact O-CA 3.39Å; L18-P22 VanDerWaalsContact O-CB 3.26Å; L18-P22 WeakPolarHBondContact O-CB 3.49Å; L18-P22 WeakPolarHBondContact O-CD 3.5Å; P22-D26 VanDerWaalsContact O-CB 3.25Å; P22-D26 WeakPolarHBondContact O-CB 3.17Å; P22-D26 PolarHBondContact O-N 3.41Å; P22-V73 HydrophobicContact CB-CG1 3.99Å; P22-I209 HydrophobicContact CB-CD1 4.42Å
23V96.6Very high95.7Very high33 Ų3333.5 Ų33.520%0.217%0.174CC..Hα-helixtrans-75.8-42.6-176.2-174.20000110.6D21 D26 L27 T104 F129 F131 I209 L210D21-V23 PolarHBondContact O-N 3Å; D21-V23 PolarHBondContact OD1-N 2.98Å; V23-D26 PolarHBondContact O-N 3.13Å; V23-L27 PolarHBondContact O-N 3.27Å; V23-T104 HydrophobicContact CB-CG2 4.13Å; V23-T104 WeakPolarHBondContact CB-OG1 3.39Å; V23-T104 HydrophobicContact CG1-CG2 4.01Å; V23-F129 HydrophobicContact CG1-CD1 3.93Å; V23-F129 HydrophobicContact CG1-CE1 4.24Å; V23-F131 HydrophobicContact CG1-CE1 3.8Å; V23-F131 HydrophobicContact CG1-CZ 3.82Å; V23-I209 HydrophobicContact CB-CD1 4.46Å; V23-I209 HydrophobicContact CG2-CD1 3.96Å; V23-L210 HydrophobicContact CG1-CD2 3.61Å
24A96.9Very high95.9Very high3 Ų329.8 Ų29.83%0.02516%0.155CC..Hα-helixtrans-68-37.5173.600000112.1D21 L27 R28 V102 T104 F131D21-A24 HydrophobicContact CB-CB 4.07Å; D21-A24 PolarHBondContact O-N 3.05Å; D21-A24 WeakPolarHBondContact OD1-CB 3.23Å; D21-A24 PolarHBondContact OD1-N 3.45Å; D21-A24 WeakPolarHBondContact OD2-CB 3.41Å; A24-L27 PolarHBondContact O-N 2.99Å; A24-R28 WeakPolarHBondContact O-CG 3.18Å; A24-R28 PolarHBondContact O-N 3.24Å; A24-V102 HydrophobicContact CB-CB 4.17Å; A24-V102 HydrophobicContact CB-CG1 3.9Å; A24-V102 WeakPolarHBondContact CB-O 3.45Å; A24-T104 PolarHBondContact N-OG1 3.11Å; A24-F131 HydrophobicContact CB-CD1 4.41Å; A24-F131 HydrophobicContact CB-CE1 4.48Å
25A96.9Very high96.1Very high6 Ų629.6 Ų29.65%0.0515%0.154CC..Hα-helixtrans-64.5-4517500000111.7L18 D21 L27 R28 C29 L95L18-A25 HydrophobicContact CD2-CB 3.5Å; D21-A25 WeakPolarHBondContact O-CB 3.47Å; D21-A25 PolarHBondContact O-N 3.28Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 3.2Å; A25-R28 PolarHBondContact O-N 3.23Å; A25-C29 PolarHBondContact O-N 3.29Å; A25-C29 VanDerWaalsContact O-N 3.11Å; A25-L95 HydrophobicContact CB-CD1 4.09Å; A25-L95 HydrophobicContact CB-CD2 3.91Å
26D97.6Very high96.3Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-60.5-41.8176.1-169.5-75.4000112.2P22 V23 R28 C29 S30 V73 W205 S208 I209 L210P22-D26 VanDerWaalsContact O-CB 3.25Å; P22-D26 WeakPolarHBondContact O-CB 3.17Å; P22-D26 PolarHBondContact O-N 3.41Å; V23-D26 PolarHBondContact O-N 3.13Å; D26-R28 VanDerWaalsContact C-N 3.31Å; D26-R28 PolarHBondContact O-N 3.26Å; D26-C29 PolarHBondContact O-N 2.89Å; D26-S30 WeakPolarHBondContact O-CB 3.36Å; D26-S30 PolarHBondContact O-N 3.02Å; D26-S30 PolarHBondContact O-OG 3.48Å; D26-S30 PolarHBondContact OD1-OG 2.73Å; D26-S30 VanDerWaalsContact OD1-OG 3.07Å; D26-V73 HydrophobicContact CB-CG2 3.83Å; D26-W205 VanDerWaalsContact OD2-CZ3 3.31Å; D26-W205 WeakPolarHBondContact OD2-CZ3 3.34Å; D26-S208 WeakPolarHBondContact OD1-CB 3.41Å; D26-S208 PolarHBondContact OD1-OG 3.1Å; D26-S208 WeakPolarHBondContact OD2-CA 3.24Å; D26-I209 HydrophobicContact CB-CD1 3.98Å; D26-I209 HydrophobicContact CB-CG1 3.76Å; D26-I209 PolarHBondContact OD2-N 3.45Å; D26-L210 WeakPolarHBondContact OD1-CG 3.31Å
27L97.8Very high96.4Very high1 Ų127.8 Ų27.81%0.00513%0.134CC..Hα-helixtrans-55-49.7175175.965.3000110.9V23 A24 A25 C29 S30 L31 V102 F131 L210 L273 V275V23-L27 PolarHBondContact O-N 3.27Å; A24-L27 PolarHBondContact O-N 2.99Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 3.2Å; L27-C29 VanDerWaalsContact C-N 3.33Å; L27-C29 PolarHBondContact O-N 3.18Å; L27-S30 WeakPolarHBondContact O-CB 3.22Å; L27-S30 PolarHBondContact O-N 2.71Å; L27-S30 VanDerWaalsContact O-N 3.1Å; L27-L31 HydrophobicContact CD1-CD1 4.16Å; L27-L31 HydrophobicContact CD1-CD2 4.18Å; L27-L31 HydrophobicContact CD1-CG 3.95Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 HydrophobicContact CG-CG 4.23Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.3Å; L27-L31 PolarHBondContact O-N 3.34Å; L27-V102 HydrophobicContact CD2-CG1 4.15Å; L27-F131 HydrophobicContact CB-CE1 3.99Å; L27-F131 HydrophobicContact CB-CE2 4.41Å; L27-F131 HydrophobicContact CB-CZ 3.9Å; L27-F131 HydrophobicContact CD1-CE2 4.25Å; L27-F131 HydrophobicContact CD2-CB 4.11Å; L27-F131 HydrophobicContact CD2-CD1 3.76Å; L27-F131 HydrophobicContact CD2-CD2 3.51Å; L27-F131 HydrophobicContact CD2-CE1 3.96Å; L27-F131 HydrophobicContact CD2-CE2 3.71Å; L27-F131 HydrophobicContact CD2-CG 3.51Å; L27-F131 HydrophobicContact CD2-CZ 3.92Å; L27-F131 HydrophobicContact CG-CE2 4.34Å; L27-F131 HydrophobicContact CG-CZ 4.33Å; L27-L210 HydrophobicContact CB-CD1 3.88Å; L27-L210 HydrophobicContact CD1-CD1 3.93Å; L27-L273 HydrophobicContact CD2-CD1 3.93Å; L27-V275 HydrophobicContact CD1-CG2 3.99Å
28R97.5Very high96.5Very high26 Ų2626.7 Ų26.710%0.09813%0.127CC..Hα-helixtrans-62.5-41.8-177.6-67.3172.168.9-1805111.6A24 A25 D26 F32 I94 L95 V102A24-R28 WeakPolarHBondContact O-CG 3.18Å; A24-R28 PolarHBondContact O-N 3.24Å; A25-R28 PolarHBondContact O-N 3.23Å; D26-R28 VanDerWaalsContact C-N 3.31Å; D26-R28 PolarHBondContact O-N 3.26Å; R28-F32 WeakPolarHBondContact O-CB 3.48Å; R28-F32 PolarHBondContact O-N 3.08Å; R28-I94 HydrophobicContact CB-CG2 3.95Å; R28-I94 VanDerWaalsContact CZ-O 3.32Å; R28-I94 PolarHBondContact NE-O 3.31Å; R28-I94 PolarHBondContact NH2-O 2.73Å; R28-L95 HydrophobicContact CB-CD2 4.05Å; R28-L95 VanDerWaalsContact CZ-CA 3.46Å; R28-L95 PolarHBondContact NH1-O 3.09Å; R28-L95 VanDerWaalsContact NH2-CA 3.28Å; R28-L95 PolarHBondContact NH2-O 3.42Å; R28-V102 HydrophobicContact CG-CG2 4.05Å
29C97.7Very high96.5Very high0 Ų034.6 Ų34.60%016%0.157CC..Hα-helixtrans-60.9-46.1171.7-67.50000111.4A25 D26 L27 L31 F32 V33 W205A25-C29 PolarHBondContact O-N 3.29Å; A25-C29 VanDerWaalsContact O-N 3.11Å; D26-C29 PolarHBondContact O-N 2.89Å; L27-C29 VanDerWaalsContact C-N 3.33Å; L27-C29 PolarHBondContact O-N 3.18Å; C29-L31 PolarHBondContact O-N 2.89Å; C29-F32 PolarHBondContact O-N 3.11Å; C29-V33 WeakPolarHBondContact O-CB 3.49Å; C29-V33 WeakPolarHBondContact O-CG2 3.48Å; C29-V33 PolarHBondContact O-N 2.93Å; C29-W205 HydrophobicContact CB-CE3 3.85Å; C29-W205 HydrophobicContact CB-CH2 4.19Å; C29-W205 HydrophobicContact CB-CZ3 3.65Å
30S97.9Very high96.5Very high0 Ų032.8 Ų32.80%015%0.148CC..Hα-helixtrans-61.2-42.8-179.5-65.80000112.8D26 L27 A34 S208D26-S30 WeakPolarHBondContact O-CB 3.36Å; D26-S30 PolarHBondContact O-N 3.02Å; D26-S30 PolarHBondContact O-OG 3.48Å; D26-S30 PolarHBondContact OD1-OG 2.73Å; D26-S30 VanDerWaalsContact OD1-OG 3.07Å; L27-S30 WeakPolarHBondContact O-CB 3.22Å; L27-S30 PolarHBondContact O-N 2.71Å; L27-S30 VanDerWaalsContact O-N 3.1Å; S30-A34 WeakPolarHBondContact O-CB 3.28Å; S30-A34 PolarHBondContact O-N 3.25Å; S30-S208 WeakPolarHBondContact OG-CB 3.38Å; S30-S208 PolarHBondContact OG-OG 2.86Å
31L97.8Very high96.5Very high1 Ų126.5 Ų26.51%0.00512%0.124CC..Hα-helixtrans-65.7-43.1175.9-64.8-175.9000111.6L27 C29 A34 A35 L161 F164 H165 I168 L273L27-L31 HydrophobicContact CD1-CD1 4.16Å; L27-L31 HydrophobicContact CD1-CD2 4.18Å; L27-L31 HydrophobicContact CD1-CG 3.95Å; L27-L31 HydrophobicContact CG-CD1 4.1Å; L27-L31 HydrophobicContact CG-CG 4.23Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.3Å; L27-L31 PolarHBondContact O-N 3.34Å; C29-L31 PolarHBondContact O-N 2.89Å; L31-A34 PolarHBondContact O-N 3.13Å; L31-A35 WeakPolarHBondContact O-CB 3.22Å; L31-A35 PolarHBondContact O-N 2.87Å; L31-L161 HydrophobicContact CD2-CD1 3.67Å; L31-L161 HydrophobicContact CD2-CG 4.3Å; L31-F164 HydrophobicContact CD1-CB 3.97Å; L31-F164 HydrophobicContact CD2-CB 3.64Å; L31-F164 HydrophobicContact CG-CB 4.3Å; L31-H165 HydrophobicContact CB-CB 4.48Å; L31-I168 HydrophobicContact CD1-CD1 3.93Å; L31-I168 HydrophobicContact CD1-CG2 4.5Å; L31-L273 HydrophobicContact CD1-CD1 4.47Å
32F97.8Very high96.4Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-61.7-48.8176.4176-96.2000111.8R28 C29 A34 A35 A36 L45 P49 L63 V67 L90 W93 I94 H165R28-F32 WeakPolarHBondContact O-CB 3.48Å; R28-F32 PolarHBondContact O-N 3.08Å; C29-F32 PolarHBondContact O-N 3.11Å; F32-A34 VanDerWaalsContact C-N 3.34Å; F32-A34 PolarHBondContact O-N 2.93Å; F32-A35 PolarHBondContact O-N 2.91Å; F32-A36 HydrophobicContact CE1-CB 4.5Å; F32-A36 WeakPolarHBondContact O-CB 2.85Å; F32-A36 PolarHBondContact O-N 3.3Å; F32-L45 HydrophobicContact CD2-CD1 3.72Å; F32-L45 HydrophobicContact CE2-CD1 3.58Å; F32-L45 HydrophobicContact CE2-CD2 4.33Å; F32-L45 HydrophobicContact CE2-CG 4.29Å; F32-L45 HydrophobicContact CZ-CD1 4.31Å; F32-P49 HydrophobicContact CE2-CG 4.41Å; F32-P49 HydrophobicContact CZ-CG 4.15Å; F32-L63 HydrophobicContact CE1-CD1 4.17Å; F32-L63 HydrophobicContact CZ-CD1 3.86Å; F32-L63 HydrophobicContact CZ-CD2 4.27Å; F32-V67 HydrophobicContact CD1-CG2 4.42Å; F32-V67 HydrophobicContact CE1-CG2 3.73Å; F32-L90 HydrophobicContact CE1-CD1 3.92Å; F32-L90 HydrophobicContact CE1-CD2 4.23Å; F32-L90 HydrophobicContact CE1-CG 4.39Å; F32-L90 HydrophobicContact CZ-CD1 3.87Å; F32-W93 AromaticContact CD2-CZ3 3.85Å; F32-W93 HydrophobicContact CD2-CZ3 3.85Å; F32-W93 HydrophobicContact CE2-CE3 4.32Å; F32-W93 HydrophobicContact CE2-CH2 4.18Å; F32-W93 AromaticContact CE2-CZ3 3.45Å; F32-W93 HydrophobicContact CE2-CZ3 3.45Å; F32-W93 VanDerWaalsContact CE2-CZ3 3.45Å; F32-W93 HydrophobicContact CZ-CZ3 4.27Å; F32-I94 HydrophobicContact CB-CD1 4.01Å; F32-I94 HydrophobicContact CB-CG1 4.22Å; F32-I94 HydrophobicContact CB-CG2 4.38Å; F32-I94 HydrophobicContact CD1-CD1 3.39Å; F32-I94 HydrophobicContact CD1-CG1 4.01Å; F32-I94 HydrophobicContact CD2-CD1 4.38Å; F32-I94 HydrophobicContact CD2-CG1 4.1Å; F32-I94 HydrophobicContact CE1-CD1 3.92Å; F32-I94 HydrophobicContact CE1-CG1 4.42Å; F32-I94 HydrophobicContact CG-CD1 3.65Å; F32-I94 HydrophobicContact CG-CG1 3.82Å; F32-H165 AromaticContact CD2-CE1 3.72Å
33V97.9Very high96.1Very high0 Ų029.6 Ų29.60%014%0.143CC..Hα-helixtrans-60.8-44.21791710000110.6C29 A35 A36 Q37 V67 L70 W205C29-V33 WeakPolarHBondContact O-CB 3.49Å; C29-V33 WeakPolarHBondContact O-CG2 3.48Å; C29-V33 PolarHBondContact O-N 2.93Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 2.9Å; V33-A36 PolarHBondContact O-N 2.88Å; V33-Q37 HydrophobicContact CG1-CG 4.22Å; V33-Q37 WeakPolarHBondContact O-CB 3.39Å; V33-Q37 WeakPolarHBondContact O-CG 3.34Å; V33-Q37 PolarHBondContact O-N 2.99Å; V33-V67 HydrophobicContact CB-CG1 4.29Å; V33-V67 HydrophobicContact CG1-CG1 3.84Å; V33-V67 HydrophobicContact CG2-CG1 4.06Å; V33-L70 HydrophobicContact CG2-CD2 4.2Å; V33-W205 HydrophobicContact CB-CB 3.97Å; V33-W205 HydrophobicContact CB-CG 4.49Å; V33-W205 HydrophobicContact CG1-CB 3.97Å; V33-W205 HydrophobicContact CG1-CG 4.46Å; V33-W205 HydrophobicContact CG2-CB 4.08Å; V33-W205 HydrophobicContact CG2-CG 4.1Å
34A97.6Very high95.8Very high5 Ų529.1 Ų29.14%0.04114%0.139CC..Hα-helixtrans-58.9-44175.900000112S30 L31 F32 S38 L161 E162S30-A34 WeakPolarHBondContact O-CB 3.28Å; S30-A34 PolarHBondContact O-N 3.25Å; L31-A34 PolarHBondContact O-N 3.13Å; F32-A34 VanDerWaalsContact C-N 3.34Å; F32-A34 PolarHBondContact O-N 2.93Å; A34-S38 PolarHBondContact O-N 3.22Å; A34-L161 HydrophobicContact CB-CD2 3.79Å; A34-L161 HydrophobicContact CB-CG 3.91Å; A34-E162 HydrophobicContact CB-CB 4.41Å; A34-E162 WeakPolarHBondContact O-CB 3.31Å
35A97.4Very high95.8Very high0 Ų029 Ų290%014%0.138CC..Hα-helixtrans-66.2-4117700000112.5L31 F32 V33 R41 L45 E162 H165L31-A35 WeakPolarHBondContact O-CB 3.22Å; L31-A35 PolarHBondContact O-N 2.87Å; F32-A35 PolarHBondContact O-N 2.91Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 2.9Å; A35-R41 WeakPolarHBondContact O-CB 3.1Å; A35-L45 HydrophobicContact CB-CD1 3.68Å; A35-E162 WeakPolarHBondContact CB-O 3.38Å; A35-H165 HydrophobicContact CB-CB 3.7Å
36A97.2Very high95.6Very high1 Ų134.6 Ų34.61%0.00816%0.158CC..Hα-helixtrans-68.8-40.9-179.900000112.2F32 V33 S38 R41 L45 L63 V67F32-A36 HydrophobicContact CE1-CB 4.5Å; F32-A36 WeakPolarHBondContact O-CB 2.85Å; F32-A36 PolarHBondContact O-N 3.3Å; V33-A36 PolarHBondContact O-N 2.88Å; A36-S38 VanDerWaalsContact C-N 3.34Å; A36-R41 WeakPolarHBondContact O-CD 3.41Å; A36-R41 PolarHBondContact O-NE 3.4Å; A36-L45 HydrophobicContact CB-CD1 4.2Å; A36-L45 HydrophobicContact CB-CD2 4.06Å; A36-L63 HydrophobicContact CB-CD2 4.49Å; A36-V67 HydrophobicContact CB-CG1 4.49Å; A36-V67 HydrophobicContact CB-CG2 4.18Å
37Q95.6Very high95.5Very high68 Ų6836.7 Ų36.732%0.31817%0.171SC..Hα-helixtrans-74.7-24.6-179.5-71.2179.4-25.300112.9V33 R41 L64 V67 N68V33-Q37 HydrophobicContact CG1-CG 4.22Å; V33-Q37 WeakPolarHBondContact O-CB 3.39Å; V33-Q37 WeakPolarHBondContact O-CG 3.34Å; V33-Q37 PolarHBondContact O-N 2.99Å; Q37-R41 PolarHBondContact O-NH2 3.42Å; Q37-L64 HydrophobicContact CG-CD2 4.41Å; Q37-V67 HydrophobicContact CG-CG1 4.11Å; Q37-N68 PolarHBondContact NE2-OD1 2.69Å; Q37-N68 VanDerWaalsContact NE2-OD1 3.13Å
38S95.4Very high95.4Very high12 Ų1237.8 Ų37.88%0.08418%0.176CC..SBendtrans-54.1143.6177.7-176.40000112.6A34 A36 K40 R41A34-S38 PolarHBondContact O-N 3.22Å; A36-S38 VanDerWaalsContact C-N 3.34Å; S38-K40 PolarHBondContact O-N 3.39Å; S38-K40 PolarHBondContact OG-N 2.73Å; S38-K40 VanDerWaalsContact OG-N 3.14Å; S38-R41 VanDerWaalsContact O-CB 3.29Å; S38-R41 WeakPolarHBondContact O-CB 3.32Å; S38-R41 PolarHBondContact O-N 2.79Å; S38-R41 VanDerWaalsContact O-N 3.14Å; S38-R41 PolarHBondContact O-NE 3.43Å; S38-R41 PolarHBondContact O-NH2 2.96Å
39Y93.3Very high95.3Very high169 Ų16936.6 Ų36.666%0.66317%0.172SC*.THydrogen-bonded Turntrans-64.6-19.5170.271.2-86.2000112.3R41Y39-R41 VanDerWaalsContact C-N 3.33Å
40K92.9Very high95Very high86 Ų8640.2 Ų40.237%0.37420%0.195SC..THydrogen-bonded Turntrans-92.316.5175.1-55.2-173.4-171.8-178.50113.1S38 D42 S43 L44S38-K40 PolarHBondContact O-N 3.39Å; S38-K40 PolarHBondContact OG-N 2.73Å; S38-K40 VanDerWaalsContact OG-N 3.14Å; K40-D42 PolarHBondContact O-N 3.15Å; K40-S43 PolarHBondContact O-N 3.48Å; K40-S43 PolarHBondContact O-OG 3.12Å; K40-L44 HydrophobicContact CB-CD1 3.69Å; K40-L44 HydrophobicContact CB-CG 3.84Å; K40-L44 HydrophobicContact CD-CD1 4.39Å; K40-L44 WeakPolarHBondContact O-CG 3.18Å; K40-L44 PolarHBondContact O-N 3.04Å
41R94.2Very high94.8Very high64 Ų6447.3 Ų47.324%0.24222%0.222CC..Hα-helixtrans-51.3-33.1-174.663.3-170.471.8147.9-5.9114.6A35 A36 Q37 S38 Y39 S43 L44 L45 F60A35-R41 WeakPolarHBondContact O-CB 3.1Å; A36-R41 WeakPolarHBondContact O-CD 3.41Å; A36-R41 PolarHBondContact O-NE 3.4Å; Q37-R41 PolarHBondContact O-NH2 3.42Å; S38-R41 VanDerWaalsContact O-CB 3.29Å; S38-R41 WeakPolarHBondContact O-CB 3.32Å; S38-R41 PolarHBondContact O-N 2.79Å; S38-R41 VanDerWaalsContact O-N 3.14Å; S38-R41 PolarHBondContact O-NE 3.43Å; S38-R41 PolarHBondContact O-NH2 2.96Å; Y39-R41 VanDerWaalsContact C-N 3.33Å; R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 2.84Å; R41-L44 PolarHBondContact O-N 2.78Å; R41-L45 WeakPolarHBondContact O-CB 3.29Å; R41-L45 PolarHBondContact O-N 3.08Å; R41-F60 HydrophobicContact CB-CD1 4.42Å; R41-F60 HydrophobicContact CB-CE1 4.07Å; R41-F60 VanDerWaalsContact CD-CD1 3.42Å; R41-F60 HydrophobicContact CG-CD1 3.75Å; R41-F60 HydrophobicContact CG-CE1 3.63Å; R41-F60 HydrophobicContact CG-CG 4.43Å; R41-F60 HydrophobicContact CG-CZ 4.24Å
42D92.1Very high94.7Very high84 Ų8447.8 Ų47.845%0.44922%0.224SC..Hα-helixtrans-65.7-32.5-179-174.858000113.8K40 R46 K58 F60K40-D42 PolarHBondContact O-N 3.15Å; D42-R46 PolarHBondContact O-NE 3.23Å; D42-R46 PolarHBondContact O-NH2 3.28Å; D42-K58 IonicContact OD1-NZ 3.92Å; D42-K58 PolarHBondContact OD1-NZ 3.45Å; D42-F60 HydrophobicContact CB-CE2 4.33Å; D42-F60 HydrophobicContact CB-CZ 4.06Å
43S89.9Confident94.5Very high63 Ų6351.1 Ų51.144%0.44124%0.241SC..Hα-helixtrans-90.1-34.9174.760.80000112.8K40 R41 R46K40-S43 PolarHBondContact O-N 3.48Å; K40-S43 PolarHBondContact O-OG 3.12Å; R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 2.84Å; S43-R46 WeakPolarHBondContact O-CD 3.4Å; S43-R46 PolarHBondContact O-NE 3.07Å
44L90.9Very high94.2Very high22 Ų2255.3 Ų55.312%0.11527%0.27CS..Hα-helixtrans-90.1-30.3-171.9-60.1-175.1000114.8K40 R41 R46 E162 N163 S166K40-L44 HydrophobicContact CB-CD1 3.69Å; K40-L44 HydrophobicContact CB-CG 3.84Å; K40-L44 HydrophobicContact CD-CD1 4.39Å; K40-L44 WeakPolarHBondContact O-CG 3.18Å; K40-L44 PolarHBondContact O-N 3.04Å; R41-L44 PolarHBondContact O-N 2.78Å; L44-R46 PolarHBondContact O-N 3.26Å; L44-E162 HydrophobicContact CD1-CB 4.11Å; L44-E162 HydrophobicContact CD1-CG 3.67Å; L44-N163 VanDerWaalsContact CD1-OD1 3.32Å; L44-N163 WeakPolarHBondContact CD1-OD1 3.49Å; L44-N163 WeakPolarHBondContact CD2-OD1 3.47Å; L44-S166 WeakPolarHBondContact O-CB 3.38Å
45L95.4Very high93.8Very high0 Ų058.2 Ų58.20%030%0.301CS..  trans-81.968.9-177.3-166.868.1000110.7F32 A35 A36 R41 P47 F48 F60 L63F32-L45 HydrophobicContact CD2-CD1 3.72Å; F32-L45 HydrophobicContact CE2-CD1 3.58Å; F32-L45 HydrophobicContact CE2-CD2 4.33Å; F32-L45 HydrophobicContact CE2-CG 4.29Å; F32-L45 HydrophobicContact CZ-CD1 4.31Å; A35-L45 HydrophobicContact CB-CD1 3.68Å; A36-L45 HydrophobicContact CB-CD1 4.2Å; A36-L45 HydrophobicContact CB-CD2 4.06Å; R41-L45 WeakPolarHBondContact O-CB 3.29Å; R41-L45 PolarHBondContact O-N 3.08Å; L45-P47 CarbonylContact C-O 3.49Å; L45-P47 CarbonylContact O-C 3.5Å; L45-F48 HydrophobicContact CB-CD2 4.49Å; L45-F48 HydrophobicContact CD2-CD2 3.57Å; L45-F48 HydrophobicContact CD2-CE2 3.72Å; L45-F48 HydrophobicContact CG-CD2 4.08Å; L45-F60 HydrophobicContact CD2-CE1 4.45Å; L45-L63 HydrophobicContact CD2-CD2 3.39Å
46R94Very high93.3Very high124 Ų12466.3 Ų66.347%0.46834%0.344SS..  trans-129.7117.7-178.8-63.3-175.8-177.8-140.7-0.7108.7D42 S43 L44 S166 N170D42-R46 PolarHBondContact O-NE 3.23Å; D42-R46 PolarHBondContact O-NH2 3.28Å; S43-R46 WeakPolarHBondContact O-CD 3.4Å; S43-R46 PolarHBondContact O-NE 3.07Å; L44-R46 PolarHBondContact O-N 3.26Å; R46-S166 VanDerWaalsContact O-CA 3.27Å; R46-S166 WeakPolarHBondContact O-CA 3.23Å; R46-N170 PolarHBondContact O-ND2 2.87Å
47P95.1Very high93.1Very high44 Ų4472.3 Ų72.329%0.28638%0.375SS..SBendcis-69158.84.430.7-37.4000112.5L45 W93 H165 H169L45-P47 CarbonylContact C-O 3.49Å; L45-P47 CarbonylContact O-C 3.5Å; P47-W93 HydrophobicContact CB-CH2 4.32Å; P47-W93 HydrophobicContact CB-CZ2 4.08Å; P47-W93 HydrophobicContact CG-CH2 4.11Å; P47-W93 HydrophobicContact CG-CZ2 4.17Å; P47-W93 WeakPolarHBondContact O-CH2 3.34Å; P47-H165 PolarHBondContact O-NE2 3.44Å; P47-H169 HydrophobicContact CG-CB 4.22Å
48F95.4Very high93.1Very high24 Ų2472.1 Ų72.111%0.10537%0.373CS..  trans-109.3139.4177.3-173.5-88.5000109.9L45 P50 Y52 I53 K58 F60 L63 W93L45-F48 HydrophobicContact CB-CD2 4.49Å; L45-F48 HydrophobicContact CD2-CD2 3.57Å; L45-F48 HydrophobicContact CD2-CE2 3.72Å; L45-F48 HydrophobicContact CG-CD2 4.08Å; F48-P50 WeakPolarHBondContact O-CD 3.38Å; F48-Y52 WeakPolarHBondContact CE1-O 3.09Å; F48-I53 HydrophobicContact CD1-CD1 3.83Å; F48-I53 HydrophobicContact CD1-CG1 3.56Å; F48-I53 HydrophobicContact CE1-CD1 4.46Å; F48-I53 HydrophobicContact CE1-CG1 3.69Å; F48-K58 HydrophobicContact CD1-CG 4.39Å; F48-K58 HydrophobicContact CD2-CD 4.2Å; F48-K58 HydrophobicContact CE1-CB 4.17Å; F48-K58 HydrophobicContact CE1-CG 4.23Å; F48-K58 HydrophobicContact CE2-CB 4.4Å; F48-K58 HydrophobicContact CE2-CD 4.34Å; F48-K58 HydrophobicContact CG-CD 4.32Å; F48-K58 HydrophobicContact CZ-CB 3.97Å; F48-K58 HydrophobicContact CZ-CG 4.38Å; F48-F60 HydrophobicContact CD2-CE1 4.1Å; F48-F60 HydrophobicContact CD2-CZ 4.46Å; F48-F60 AromaticContact CE2-CD1 3.87Å; F48-F60 HydrophobicContact CE2-CD1 3.87Å; F48-F60 AromaticContact CE2-CE1 3.49Å; F48-F60 HydrophobicContact CE2-CE1 3.49Å; F48-F60 VanDerWaalsContact CE2-CE1 3.49Å; F48-F60 HydrophobicContact CE2-CZ 4.03Å; F48-F60 HydrophobicContact CZ-CE1 4.43Å; F48-L63 HydrophobicContact CD2-CD2 4.49Å; F48-L63 HydrophobicContact CE2-CD2 3.66Å; F48-L63 HydrophobicContact CZ-CD2 3.99Å; F48-W93 VanDerWaalsContact C-CZ2 3.45Å; F48-W93 WeakPolarHBondContact O-CZ2 3.16Å
49P94.9Very high93.1Very high2 Ų274.8 Ų74.81%0.01339%0.386CS..  trans-65.6119.4-177.724.8-34.3000112F32 R51 Y52 L63 L90 W93F32-P49 HydrophobicContact CE2-CG 4.41Å; F32-P49 HydrophobicContact CZ-CG 4.15Å; P49-R51 PolarHBondContact O-N 2.88Å; P49-Y52 HydrophobicContact CB-CD2 3.75Å; P49-Y52 HydrophobicContact CB-CE2 4.08Å; P49-Y52 HydrophobicContact CG-CD2 3.51Å; P49-Y52 HydrophobicContact CG-CE2 3.99Å; P49-Y52 HydrophobicContact CG-CG 4.48Å; P49-Y52 PolarHBondContact O-N 2.75Å; P49-Y52 VanDerWaalsContact O-N 3.09Å; P49-L63 HydrophobicContact CG-CD1 4.02Å; P49-L63 HydrophobicContact CG-CD2 4.14Å; P49-L90 HydrophobicContact CB-CD1 4.37Å; P49-L90 HydrophobicContact CG-CD1 4.46Å; P49-W93 HydrophobicContact CB-CD2 3.84Å; P49-W93 HydrophobicContact CB-CE3 3.86Å; P49-W93 HydrophobicContact CB-CG 4.45Å; P49-W93 HydrophobicContact CB-CH2 4.22Å; P49-W93 HydrophobicContact CB-CZ2 4.19Å; P49-W93 HydrophobicContact CB-CZ3 4.07Å; P49-W93 HydrophobicContact CG-CZ3 4.41Å
50P93Very high93.2Very high75 Ų7568.6 Ų68.649%0.48736%0.363SS..G310 helixtrans-59.5-24.2-175.7-26.334.6000114.8F48 Y52 I53 W93F48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-Y52 PolarHBondContact O-N 2.85Å; P50-I53 WeakPolarHBondContact O-CB 3.43Å; P50-I53 PolarHBondContact O-N 2.92Å; P50-I53 VanDerWaalsContact O-N 3.09Å; P50-W93 VanDerWaalsContact CD-NE1 3.26Å
51R92.6Very high93.3Very high150 Ų15072.4 Ų72.457%0.56638%0.382SS*.G310 helixtrans-58.4-28177.2179.5178.1178160.92.3113.1P49 I53P49-R51 PolarHBondContact O-N 2.88Å; R51-I53 VanDerWaalsContact C-N 3.35Å
52Y95.2Very high93.4Very high11 Ų1170.4 Ų70.44%0.04338%0.381CS..G310 helixtrans-102.624.1-178.6-53.5-94.1000111.1F48 P49 P50 D59 L63 D66 L90F48-Y52 WeakPolarHBondContact CE1-O 3.09Å; P49-Y52 HydrophobicContact CB-CD2 3.75Å; P49-Y52 HydrophobicContact CB-CE2 4.08Å; P49-Y52 HydrophobicContact CG-CD2 3.51Å; P49-Y52 HydrophobicContact CG-CE2 3.99Å; P49-Y52 HydrophobicContact CG-CG 4.48Å; P49-Y52 PolarHBondContact O-N 2.75Å; P49-Y52 VanDerWaalsContact O-N 3.09Å; P50-Y52 PolarHBondContact O-N 2.85Å; Y52-D59 PolarHBondContact O-N 3.27Å; Y52-L63 HydrophobicContact CD1-CB 3.74Å; Y52-L63 HydrophobicContact CD1-CD1 4.49Å; Y52-L63 HydrophobicContact CD2-CB 4.41Å; Y52-L63 HydrophobicContact CD2-CD1 3.98Å; Y52-L63 VanDerWaalsContact CE1-CA 3.46Å; Y52-L63 HydrophobicContact CE1-CB 4.06Å; Y52-L63 HydrophobicContact CE1-CD1 4.26Å; Y52-L63 HydrophobicContact CE2-CD1 3.71Å; Y52-L63 HydrophobicContact CG-CB 3.92Å; Y52-L63 HydrophobicContact CG-CD1 4.34Å; Y52-D66 WeakPolarHBondContact CE1-OD2 3.26Å; Y52-D66 PolarHBondContact OH-OD2 3.5Å; Y52-L90 HydrophobicContact CE2-CD1 4.13Å
53I94.3Very high93.7Very high70 Ų7066.4 Ų66.436%0.35936%0.36SS..EExtended strand (participates in β ladder)trans-114.8120.7175.6-55.9-179.1000108.1F48 P50 R51 G55 I57F48-I53 HydrophobicContact CD1-CD1 3.83Å; F48-I53 HydrophobicContact CD1-CG1 3.56Å; F48-I53 HydrophobicContact CE1-CD1 4.46Å; F48-I53 HydrophobicContact CE1-CG1 3.69Å; P50-I53 WeakPolarHBondContact O-CB 3.43Å; P50-I53 PolarHBondContact O-N 2.92Å; P50-I53 VanDerWaalsContact O-N 3.09Å; R51-I53 VanDerWaalsContact C-N 3.35Å; I53-G55 WeakPolarHBondContact CG2-O 3.49Å; I53-I57 WeakPolarHBondContact CA-O 3.43Å
54S91.5Very high94Very high87 Ų8765 Ų6561%0.60835%0.347SS*.EExtended strand (participates in β ladder)trans-116.698.3174.9-68.20000108.5D56 I57S54-D56 PolarHBondContact O-N 3.17Å; S54-I57 PolarHBondContact N-O 3.33Å; S54-I57 PolarHBondContact O-N 3.13Å; S54-I57 VanDerWaalsContact O-N 3.14Å
55G88.7Confident94.2Very high67 Ų6766.7 Ų66.769%0.69136%0.364SS*.THydrogen-bonded Turntrans66.2-119.9-169.700000110.7I53I53-G55 WeakPolarHBondContact CG2-O 3.49Å
56D87.8Confident94.2Very high170 Ų17068 Ų6891%0.90937%0.371SS*.THydrogen-bonded Turntrans-97.52.3175.4-65.8-38000113.2S54S54-D56 PolarHBondContact O-N 3.17Å
57I93Very high94.3Very high127 Ų12762.2 Ų62.265%0.65135%0.349SS*.EExtended strand (participates in β ladder)trans-97.2125.2-175.7-56.3175.1000109.7I53 S54I53-I57 WeakPolarHBondContact CA-O 3.43Å; S54-I57 PolarHBondContact N-O 3.33Å; S54-I57 PolarHBondContact O-N 3.13Å; S54-I57 VanDerWaalsContact O-N 3.14Å
58K94.7Very high94.3Very high64 Ų6465.3 Ų65.328%0.27836%0.364SS..EExtended strand (participates in β ladder)trans-87.4119.3171.8-61.9177.7-166.4162.50110.1D42 F48 F60D42-K58 IonicContact OD1-NZ 3.92Å; D42-K58 PolarHBondContact OD1-NZ 3.45Å; F48-K58 HydrophobicContact CD1-CG 4.39Å; F48-K58 HydrophobicContact CD2-CD 4.2Å; F48-K58 HydrophobicContact CE1-CB 4.17Å; F48-K58 HydrophobicContact CE1-CG 4.23Å; F48-K58 HydrophobicContact CE2-CB 4.4Å; F48-K58 HydrophobicContact CE2-CD 4.34Å; F48-K58 HydrophobicContact CG-CD 4.32Å; F48-K58 HydrophobicContact CZ-CB 3.97Å; F48-K58 HydrophobicContact CZ-CG 4.38Å; K58-F60 HydrophobicContact CB-CD2 4.06Å; K58-F60 HydrophobicContact CB-CE2 3.68Å; K58-F60 HydrophobicContact CB-CZ 4.14Å; K58-F60 HydrophobicContact CD-CE2 3.83Å; K58-F60 HydrophobicContact CD-CZ 3.65Å; K58-F60 HydrophobicContact CG-CE2 4.44Å; K58-F60 PolarHBondContact O-N 3.2Å; K58-F60 VanDerWaalsContact O-N 3.13Å
59D96.2Very high94.3Very high67 Ų6767.1 Ų67.136%0.35838%0.379SS..  trans-81.484.6172.9179.216.2000110.7Y52 E61 G62 L63Y52-D59 PolarHBondContact O-N 3.27Å; D59-E61 VanDerWaalsContact C-N 3.31Å; D59-E61 PolarHBondContact OD1-N 2.78Å; D59-G62 PolarHBondContact OD1-N 2.76Å; D59-G62 WeakPolarHBondContact OD2-CA 3.24Å; D59-L63 WeakPolarHBondContact O-CB 3.48Å; D59-L63 PolarHBondContact O-N 3.23Å
60F95.6Very high94.4Very high40 Ų4067.2 Ų67.218%0.17538%0.38CS..Hα-helixtrans-71.7-25.3174.1-73-74.2000112.9R41 D42 L45 F48 K58 L64R41-F60 HydrophobicContact CB-CD1 4.42Å; R41-F60 HydrophobicContact CB-CE1 4.07Å; R41-F60 VanDerWaalsContact CD-CD1 3.42Å; R41-F60 HydrophobicContact CG-CD1 3.75Å; R41-F60 HydrophobicContact CG-CE1 3.63Å; R41-F60 HydrophobicContact CG-CG 4.43Å; R41-F60 HydrophobicContact CG-CZ 4.24Å; D42-F60 HydrophobicContact CB-CE2 4.33Å; D42-F60 HydrophobicContact CB-CZ 4.06Å; L45-F60 HydrophobicContact CD2-CE1 4.45Å; F48-F60 HydrophobicContact CD2-CE1 4.1Å; F48-F60 HydrophobicContact CD2-CZ 4.46Å; F48-F60 AromaticContact CE2-CD1 3.87Å; F48-F60 HydrophobicContact CE2-CD1 3.87Å; F48-F60 AromaticContact CE2-CE1 3.49Å; F48-F60 HydrophobicContact CE2-CE1 3.49Å; F48-F60 VanDerWaalsContact CE2-CE1 3.49Å; F48-F60 HydrophobicContact CE2-CZ 4.03Å; F48-F60 HydrophobicContact CZ-CE1 4.43Å; K58-F60 HydrophobicContact CB-CD2 4.06Å; K58-F60 HydrophobicContact CB-CE2 3.68Å; K58-F60 HydrophobicContact CB-CZ 4.14Å; K58-F60 HydrophobicContact CD-CE2 3.83Å; K58-F60 HydrophobicContact CD-CZ 3.65Å; K58-F60 HydrophobicContact CG-CE2 4.44Å; K58-F60 PolarHBondContact O-N 3.2Å; K58-F60 VanDerWaalsContact O-N 3.13Å; F60-L64 VanDerWaalsContact O-CB 3.3Å; F60-L64 WeakPolarHBondContact O-CB 3.46Å; F60-L64 VanDerWaalsContact O-CG 3.24Å; F60-L64 WeakPolarHBondContact O-CG 3.42Å; F60-L64 PolarHBondContact O-N 3.1Å
61E95.4Very high94.5Very high166 Ų16665 Ų6578%0.77637%0.365SS*.Hα-helixtrans-71.4-50.7-178.1-67.7-170.8169.500110.6D59 L63 L64 A65D59-E61 VanDerWaalsContact C-N 3.31Å; D59-E61 PolarHBondContact OD1-N 2.78Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 2.86Å; E61-L64 PolarHBondContact O-N 2.73Å; E61-A65 PolarHBondContact O-N 2.89Å
62G96.2Very high94.6Very high21 Ų2158.1 Ų58.122%0.21634%0.34CS..Hα-helixtrans-59.8-41.4174.200000111.8D59 L64 A65 D66D59-G62 PolarHBondContact OD1-N 2.76Å; D59-G62 WeakPolarHBondContact OD2-CA 3.24Å; G62-L64 PolarHBondContact O-N 2.91Å; G62-A65 PolarHBondContact O-N 2.86Å; G62-D66 PolarHBondContact O-N 2.68Å
63L97Very high94.5Very high1 Ų157.8 Ų57.81%0.00534%0.34CS..Hα-helixtrans-62.6-44.8176.1176.461.4000112.1F32 A36 L45 F48 P49 Y52 D59 E61 A65 D66 V67 L90F32-L63 HydrophobicContact CE1-CD1 4.17Å; F32-L63 HydrophobicContact CZ-CD1 3.86Å; F32-L63 HydrophobicContact CZ-CD2 4.27Å; A36-L63 HydrophobicContact CB-CD2 4.49Å; L45-L63 HydrophobicContact CD2-CD2 3.39Å; F48-L63 HydrophobicContact CD2-CD2 4.49Å; F48-L63 HydrophobicContact CE2-CD2 3.66Å; F48-L63 HydrophobicContact CZ-CD2 3.99Å; P49-L63 HydrophobicContact CG-CD1 4.02Å; P49-L63 HydrophobicContact CG-CD2 4.14Å; Y52-L63 HydrophobicContact CD1-CB 3.74Å; Y52-L63 HydrophobicContact CD1-CD1 4.49Å; Y52-L63 HydrophobicContact CD2-CB 4.41Å; Y52-L63 HydrophobicContact CD2-CD1 3.98Å; Y52-L63 VanDerWaalsContact CE1-CA 3.46Å; Y52-L63 HydrophobicContact CE1-CB 4.06Å; Y52-L63 HydrophobicContact CE1-CD1 4.26Å; Y52-L63 HydrophobicContact CE2-CD1 3.71Å; Y52-L63 HydrophobicContact CG-CB 3.92Å; Y52-L63 HydrophobicContact CG-CD1 4.34Å; D59-L63 WeakPolarHBondContact O-CB 3.48Å; D59-L63 PolarHBondContact O-N 3.23Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 2.86Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 2.87Å; L63-D66 PolarHBondContact O-N 2.72Å; L63-V67 HydrophobicContact CD1-CG2 3.93Å; L63-V67 HydrophobicContact CG-CG2 4.23Å; L63-V67 WeakPolarHBondContact O-CB 3.38Å; L63-V67 VanDerWaalsContact O-CG2 3.29Å; L63-V67 WeakPolarHBondContact O-CG2 3.24Å; L63-V67 PolarHBondContact O-N 2.88Å; L63-L90 HydrophobicContact CD1-CD1 4.2Å; L63-L90 HydrophobicContact CD1-CD2 4.3Å
64L96.6Very high94.3Very high33 Ų3363 Ų6317%0.17336%0.355CS..Hα-helixtrans-66-36.3179.2-80.8-179.3000112.5Q37 F60 E61 G62 D66 V67 N68Q37-L64 HydrophobicContact CG-CD2 4.41Å; F60-L64 VanDerWaalsContact O-CB 3.3Å; F60-L64 WeakPolarHBondContact O-CB 3.46Å; F60-L64 VanDerWaalsContact O-CG 3.24Å; F60-L64 WeakPolarHBondContact O-CG 3.42Å; F60-L64 PolarHBondContact O-N 3.1Å; E61-L64 PolarHBondContact O-N 2.73Å; G62-L64 PolarHBondContact O-N 2.91Å; L64-D66 VanDerWaalsContact C-N 3.32Å; L64-D66 PolarHBondContact O-N 3.27Å; L64-V67 PolarHBondContact O-N 2.97Å; L64-N68 WeakPolarHBondContact O-CB 3.3Å; L64-N68 PolarHBondContact O-N 3.1Å; L64-N68 PolarHBondContact O-ND2 3.23Å; L64-N68 VanDerWaalsContact O-ND2 3.1Å
65A96.1Very high94.3Very high57 Ų5762.3 Ų62.347%0.47134%0.344SS..Hα-helixtrans-59.6-45.1175.200000111.1E61 G62 L63 S69E61-A65 PolarHBondContact O-N 2.89Å; G62-A65 PolarHBondContact O-N 2.86Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 2.87Å; A65-S69 PolarHBondContact O-N 2.86Å; A65-S69 PolarHBondContact O-OG 3.38Å
66D96.1Very high94.5Very high29 Ų2959.4 Ų59.416%0.15531%0.313CS..Hα-helixtrans-69.1-40.3177.5-73.3-9000112.1Y52 G62 L63 L64 S69 L70 H86 L90Y52-D66 WeakPolarHBondContact CE1-OD2 3.26Å; Y52-D66 PolarHBondContact OH-OD2 3.5Å; G62-D66 PolarHBondContact O-N 2.68Å; L63-D66 PolarHBondContact O-N 2.72Å; L64-D66 VanDerWaalsContact C-N 3.32Å; L64-D66 PolarHBondContact O-N 3.27Å; D66-S69 PolarHBondContact O-N 2.9Å; D66-S69 PolarHBondContact O-OG 3.36Å; D66-L70 PolarHBondContact O-N 2.76Å; D66-L70 VanDerWaalsContact O-N 3.12Å; D66-H86 IonicContact OD1-CD2 2.86Å; D66-H86 PolarHBondContact OD1-CD2 2.88Å; D66-L90 HydrophobicContact CB-CD2 4.34Å
67V96.1Very high94.6Very high2 Ų253.8 Ų53.81%0.01229%0.285CS..Hα-helixtrans-65.1-42.9177161.70000112F32 V33 A36 Q37 L63 L64 S69 L70 L90F32-V67 HydrophobicContact CD1-CG2 4.42Å; F32-V67 HydrophobicContact CE1-CG2 3.73Å; V33-V67 HydrophobicContact CB-CG1 4.29Å; V33-V67 HydrophobicContact CG1-CG1 3.84Å; V33-V67 HydrophobicContact CG2-CG1 4.06Å; A36-V67 HydrophobicContact CB-CG1 4.49Å; A36-V67 HydrophobicContact CB-CG2 4.18Å; Q37-V67 HydrophobicContact CG-CG1 4.11Å; L63-V67 HydrophobicContact CD1-CG2 3.93Å; L63-V67 HydrophobicContact CG-CG2 4.23Å; L63-V67 WeakPolarHBondContact O-CB 3.38Å; L63-V67 VanDerWaalsContact O-CG2 3.29Å; L63-V67 WeakPolarHBondContact O-CG2 3.24Å; L63-V67 PolarHBondContact O-N 2.88Å; L64-V67 PolarHBondContact O-N 2.97Å; V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 2.88Å; V67-L70 VanDerWaalsContact O-CB 3.31Å; V67-L70 WeakPolarHBondContact O-CB 3.39Å; V67-L70 PolarHBondContact O-N 2.86Å; V67-L90 HydrophobicContact CG2-CD2 4.24Å
68N94.9Very high94.4Very high109 Ų10956.6 Ų56.658%0.58329%0.287SS*.Hα-helixtrans-72.2-23.3-177.6-71.3-27.3000112.7Q37 L64Q37-N68 PolarHBondContact NE2-OD1 2.69Å; Q37-N68 VanDerWaalsContact NE2-OD1 3.13Å; L64-N68 WeakPolarHBondContact O-CB 3.3Å; L64-N68 PolarHBondContact O-N 3.1Å; L64-N68 PolarHBondContact O-ND2 3.23Å; L64-N68 VanDerWaalsContact O-ND2 3.1Å
69S95.4Very high94.2Very high62 Ų6255 Ų5543%0.43428%0.282SS..THydrogen-bonded Turntrans-98.32.417660.60000113.5A65 D66 V67 P71 H87A65-S69 PolarHBondContact O-N 2.86Å; A65-S69 PolarHBondContact O-OG 3.38Å; D66-S69 PolarHBondContact O-N 2.9Å; D66-S69 PolarHBondContact O-OG 3.36Å; V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 2.88Å; S69-P71 VanDerWaalsContact O-CD 3.24Å; S69-P71 WeakPolarHBondContact O-CD 3.26Å; S69-H87 PolarHBondContact O-CE1 2.95Å; S69-H87 PolarHBondContact O-NE2 2.89Å; S69-H87 PolarHBondContact OG-NE2 2.87Å
70L96.2Very high93.8Very high4 Ų460 Ų602%0.02130%0.295CS..  trans-66.3115.2-173.1-174.565.3000111.9V33 D66 V67 H87 V91 W205V33-L70 HydrophobicContact CG2-CD2 4.2Å; D66-L70 PolarHBondContact O-N 2.76Å; D66-L70 VanDerWaalsContact O-N 3.12Å; V67-L70 VanDerWaalsContact O-CB 3.31Å; V67-L70 WeakPolarHBondContact O-CB 3.39Å; V67-L70 PolarHBondContact O-N 2.86Å; L70-H87 HydrophobicContact CD1-CB 3.82Å; L70-V91 HydrophobicContact CD1-CG2 3.85Å; L70-W205 HydrophobicContact CD2-CZ2 3.95Å; L70-W205 HydrophobicContact CG-CZ2 3.88Å; L70-W205 PolarHBondContact O-NE1 3.05Å; L70-W205 VanDerWaalsContact O-NE1 3.1Å
71P95.3Very high93.2Very high29 Ų2963.1 Ų63.119%0.18832%0.32CS..  trans-70.8146.6-179.9-1630.1000112.4S69 D75 L76 W205S69-P71 VanDerWaalsContact O-CD 3.24Å; S69-P71 WeakPolarHBondContact O-CD 3.26Å; P71-D75 HydrophobicContact CB-CB 3.97Å; P71-L76 HydrophobicContact CB-CD2 4.5Å; P71-L76 HydrophobicContact CB-CG 4.45Å; P71-L76 HydrophobicContact CG-CD2 4.46Å; P71-L76 VanDerWaalsContact O-CD1 3.29Å; P71-L76 WeakPolarHBondContact O-CD1 3.47Å; P71-L76 VanDerWaalsContact O-CG 3.24Å; P71-L76 WeakPolarHBondContact O-CG 3.14Å; P71-W205 WeakPolarHBondContact O-CZ2 3.49Å
72G94.3Very high92.6Very high4 Ų466 Ų664%0.04132%0.324CS..  trans-55.4160.7177.600000113.9R74 D75 L76 W205G72-R74 PolarHBondContact O-N 2.84Å; G72-R74 VanDerWaalsContact O-N 3.08Å; G72-D75 PolarHBondContact O-N 2.86Å; G72-L76 PolarHBondContact O-N 2.88Å; G72-W205 VanDerWaalsContact CA-CZ2 3.49Å
73V93Very high92.2Very high5 Ų568.8 Ų68.83%0.0333%0.331CS..Hα-helixtrans-50.9-39.5-179.2167.50000112.9L18 P22 D26 D75 V77 W205L18-V73 HydrophobicContact CB-CG1 4.24Å; L18-V73 HydrophobicContact CD1-CG1 4.27Å; L18-V73 HydrophobicContact CD2-CG1 3.87Å; L18-V73 HydrophobicContact CD2-CG2 4.16Å; L18-V73 HydrophobicContact CG-CG1 4.32Å; P22-V73 HydrophobicContact CB-CG1 3.99Å; D26-V73 HydrophobicContact CB-CG2 3.83Å; V73-D75 VanDerWaalsContact C-N 3.32Å; V73-D75 PolarHBondContact O-N 3.09Å; V73-V77 WeakPolarHBondContact O-CG2 3.38Å; V73-V77 PolarHBondContact O-N 2.92Å; V73-W205 HydrophobicContact CG2-CH2 4Å; V73-W205 HydrophobicContact CG2-CZ3 3.89Å
74R90.2Very high91.8Very high179 Ų17969.4 Ų69.468%0.67534%0.338SS*.Hα-helixtrans-66.2-34.6180-65.8-179.2177.5-175.6-1.3113G72 R78G72-R74 PolarHBondContact O-N 2.84Å; G72-R74 VanDerWaalsContact O-N 3.08Å; R74-R78 WeakPolarHBondContact O-CD 3.41Å; R74-R78 WeakPolarHBondContact O-CG 3.37Å
75D92.7Very high91.6Very high72 Ų7270.4 Ų70.439%0.38534%0.343SS..Hα-helixtrans-84.4-34.6-177.8-61.2-34000110.8P71 G72 V73 V77 R78 L79P71-D75 HydrophobicContact CB-CB 3.97Å; G72-D75 PolarHBondContact O-N 2.86Å; V73-D75 VanDerWaalsContact C-N 3.32Å; V73-D75 PolarHBondContact O-N 3.09Å; D75-V77 VanDerWaalsContact C-N 3.26Å; D75-V77 PolarHBondContact O-N 2.86Å; D75-R78 WeakPolarHBondContact O-CA 3.28Å; D75-R78 PolarHBondContact O-N 2.85Å; D75-R78 IonicContact OD1-NH1 2.72Å; D75-L79 PolarHBondContact O-N 3.27Å
76L92.9Very high91.4Very high6 Ų670.7 Ų70.73%0.03134%0.335CS..Hα-helixtrans-55.2-40.9172.2-73.8168.5000112.4L18 P71 G72 R78 L79 H87 L88 V91 W205L18-L76 HydrophobicContact CD1-CB 3.83Å; L18-L76 HydrophobicContact CD1-CD1 4.45Å; P71-L76 HydrophobicContact CB-CD2 4.5Å; P71-L76 HydrophobicContact CB-CG 4.45Å; P71-L76 HydrophobicContact CG-CD2 4.46Å; P71-L76 VanDerWaalsContact O-CD1 3.29Å; P71-L76 WeakPolarHBondContact O-CD1 3.47Å; P71-L76 VanDerWaalsContact O-CG 3.24Å; P71-L76 WeakPolarHBondContact O-CG 3.14Å; G72-L76 PolarHBondContact O-N 2.88Å; L76-R78 PolarHBondContact O-N 2.99Å; L76-L79 HydrophobicContact CD2-CD1 3.92Å; L76-L79 PolarHBondContact O-N 3.45Å; L76-H87 HydrophobicContact CD2-CB 4.24Å; L76-L88 HydrophobicContact CD2-CD2 4.32Å; L76-V91 HydrophobicContact CD1-CG1 4.47Å; L76-V91 HydrophobicContact CD1-CG2 3.81Å; L76-V91 HydrophobicContact CD2-CG2 4.4Å; L76-W205 HydrophobicContact CD1-CH2 4.38Å
77V89Confident91.3Very high52 Ų5270 Ų7032%0.31533%0.331SS..THydrogen-bonded Turntrans-66.5-25.7176.8174.40000112.3L18 H19 V73 D75L18-V77 HydrophobicContact CB-CG2 3.69Å; L18-V77 HydrophobicContact CD1-CG2 3.64Å; L18-V77 HydrophobicContact CG-CG2 4.31Å; H19-V77 VanDerWaalsContact CE1-CG1 3.4Å; H19-V77 WeakPolarHBondContact CE1-CG1 3.22Å; V73-V77 WeakPolarHBondContact O-CG2 3.38Å; V73-V77 PolarHBondContact O-N 2.92Å; D75-V77 VanDerWaalsContact C-N 3.26Å; D75-V77 PolarHBondContact O-N 2.86Å
78R89.6Confident91.3Very high186 Ų18670.1 Ų70.170%0.70233%0.331SS*.THydrogen-bonded Turntrans-93.9-4.7-175.9-66.7170.8176.7173.7-4.8113.8R74 D75 L76 R80R74-R78 WeakPolarHBondContact O-CD 3.41Å; R74-R78 WeakPolarHBondContact O-CG 3.37Å; D75-R78 WeakPolarHBondContact O-CA 3.28Å; D75-R78 PolarHBondContact O-N 2.85Å; D75-R78 IonicContact OD1-NH1 2.72Å; L76-R78 PolarHBondContact O-N 2.99Å; R78-R80 PolarHBondContact O-N 3.09Å
79L89.6Confident91.2Very high32 Ų3266.4 Ų66.417%0.16832%0.315CS..PPolyproline II helixtrans-60.4135.2179.9-69.5175.7000111.1R11 D75 L76 E83 L88R11-L79 PolarHBondContact NH1-O 3.15Å; D75-L79 PolarHBondContact O-N 3.27Å; L76-L79 HydrophobicContact CD2-CD1 3.92Å; L76-L79 PolarHBondContact O-N 3.45Å; L79-E83 HydrophobicContact CD2-CG 4.07Å; L79-L88 HydrophobicContact CD1-CD1 4.46Å; L79-L88 HydrophobicContact CD1-CD2 4.33Å; L79-L88 HydrophobicContact CD1-CG 4.2Å
80R87.1Confident91.2Very high170 Ų17063.6 Ų63.664%0.64230%0.295SS*.PPolyproline II helixtrans-75.5160.5174.8-64.9177.2-64.9177.7-0.9111.2R11 R78 R82 E83R11-R80 VanDerWaalsContact NH1-C 3.35Å; R11-R80 PolarHBondContact NH1-O 2.78Å; R11-R80 PolarHBondContact NH2-O 3.47Å; R11-R80 VanDerWaalsContact NH2-O 3.09Å; R78-R80 PolarHBondContact O-N 3.09Å; R80-R82 PolarHBondContact O-N 3.37Å; R80-E83 HydrophobicContact CB-CB 4.37Å; R80-E83 WeakPolarHBondContact CB-OE2 3.17Å; R80-E83 IonicContact CZ-OE2 3.4Å; R80-E83 PolarHBondContact N-OE2 2.9Å; R80-E83 IonicContact NE-OE2 2.86Å; R80-E83 PolarHBondContact NE-OE2 2.86Å; R80-E83 IonicContact NH2-OE2 2.79Å; R80-E83 PolarHBondContact NH2-OE2 2.88Å; R80-E83 WeakPolarHBondContact O-CB 3.36Å; R80-E83 PolarHBondContact O-N 3.39Å
81P84.4Confident91.3Very high107 Ų10763.4 Ų63.470%0.69529%0.294SS*.THydrogen-bonded Turntrans-51.3138.7173.4-26.335000111.7E83P81-E83 PolarHBondContact O-N 2.63Å; P81-E83 VanDerWaalsContact O-N 3.16Å
82R81.5Confident91.3Very high226 Ų22663.6 Ų63.685%0.85329%0.293SS*.THydrogen-bonded Turntrans68.1-4.7-175.8-50.5178.8179-178.3-1.4115.8R80 D85R80-R82 PolarHBondContact O-N 3.37Å; R82-D85 WeakPolarHBondContact CA-OD2 3.36Å
83E88.6Confident91.4Very high80 Ų8066.8 Ų66.837%0.37430%0.303SS..SBendtrans-89128.8173.5-162.3173.9-179.700109.7R11 L79 R80 P81 D85R11-E83 PolarHBondContact NH2-O 3.36Å; L79-E83 HydrophobicContact CD2-CG 4.07Å; R80-E83 HydrophobicContact CB-CB 4.37Å; R80-E83 WeakPolarHBondContact CB-OE2 3.17Å; R80-E83 IonicContact CZ-OE2 3.4Å; R80-E83 PolarHBondContact N-OE2 2.9Å; R80-E83 IonicContact NE-OE2 2.86Å; R80-E83 PolarHBondContact NE-OE2 2.86Å; R80-E83 IonicContact NH2-OE2 2.79Å; R80-E83 PolarHBondContact NH2-OE2 2.88Å; R80-E83 WeakPolarHBondContact O-CB 3.36Å; R80-E83 PolarHBondContact O-N 3.39Å; P81-E83 PolarHBondContact O-N 2.63Å; P81-E83 VanDerWaalsContact O-N 3.16Å; E83-D85 VanDerWaalsContact C-N 3.32Å; E83-D85 PolarHBondContact O-N 3.22Å
84G88.8Confident91.5Very high14 Ų1466.7 Ų66.714%0.14430%0.303CS..SBendtrans66.824.9174.700000115.2H86 H87 L88G84-H86 PolarHBondContact O-N 2.92Å; G84-H86 VanDerWaalsContact O-N 3.14Å; G84-H87 WeakPolarHBondContact O-CB 3.38Å; G84-H87 PolarHBondContact O-N 2.78Å; G84-L88 PolarHBondContact O-N 3.49Å
85D91.3Very high91.7Very high53 Ų5358.7 Ų58.728%0.28327%0.273SS..Hα-helixtrans-58.5-29.9-177.6-72.1-11.6000112.9R11 R82 E83 A89R11-D85 IonicContact CZ-OD1 2.76Å; R11-D85 IonicContact NH2-OD1 3.77Å; R11-D85 PolarHBondContact NH2-OD1 3.35Å; R82-D85 WeakPolarHBondContact CA-OD2 3.36Å; E83-D85 VanDerWaalsContact C-N 3.32Å; E83-D85 PolarHBondContact O-N 3.22Å; D85-A89 VanDerWaalsContact O-CB 3.29Å; D85-A89 WeakPolarHBondContact O-CB 3.28Å; D85-A89 PolarHBondContact O-N 2.85Å
86H91.8Very high91.7Very high64 Ų6457.9 Ų57.930%0.29627%0.273SS..Hα-helixtrans-69-44.3173.959.6-80.3000112.4D66 G84 A89 L90D66-H86 IonicContact OD1-CD2 2.86Å; D66-H86 PolarHBondContact OD1-CD2 2.88Å; G84-H86 PolarHBondContact O-N 2.92Å; G84-H86 VanDerWaalsContact O-N 3.14Å; H86-A89 PolarHBondContact O-N 3.16Å; H86-L90 PolarHBondContact O-N 3.23Å
87H94.7Very high91.3Very high15 Ų1558.9 Ų58.97%0.06928%0.281CS..Hα-helixtrans-61.5-45.2173.1-62.4137.9000111.7S69 L70 L76 G84 A89 L90 V91S69-H87 PolarHBondContact O-CE1 2.95Å; S69-H87 PolarHBondContact O-NE2 2.89Å; S69-H87 PolarHBondContact OG-NE2 2.87Å; L70-H87 HydrophobicContact CD1-CB 3.82Å; L76-H87 HydrophobicContact CD2-CB 4.24Å; G84-H87 WeakPolarHBondContact O-CB 3.38Å; G84-H87 PolarHBondContact O-N 2.78Å; H87-A89 VanDerWaalsContact C-N 3.34Å; H87-A89 PolarHBondContact O-N 2.61Å; H87-L90 PolarHBondContact O-N 2.98Å; H87-V91 WeakPolarHBondContact O-CB 3.21Å; H87-V91 VanDerWaalsContact O-CG2 3.27Å; H87-V91 WeakPolarHBondContact O-CG2 3.39Å; H87-V91 PolarHBondContact O-N 2.98Å
88L95.1Very high91Very high4 Ų464 Ų642%0.02130%0.299CS..Hα-helixtrans-63.5-39.4178.3-70.1174.6000112V10 R11 V14 L76 L79 G84 V91 H92V10-L88 HydrophobicContact CG1-CB 4.33Å; R11-L88 HydrophobicContact CB-CD1 4.12Å; R11-L88 HydrophobicContact CG-CD1 4.02Å; R11-L88 VanDerWaalsContact NH2-CD1 3.34Å; V14-L88 HydrophobicContact CB-CD2 4.33Å; V14-L88 HydrophobicContact CG1-CD2 3.89Å; L76-L88 HydrophobicContact CD2-CD2 4.32Å; L79-L88 HydrophobicContact CD1-CD1 4.46Å; L79-L88 HydrophobicContact CD1-CD2 4.33Å; L79-L88 HydrophobicContact CD1-CG 4.2Å; G84-L88 PolarHBondContact O-N 3.49Å; L88-V91 PolarHBondContact O-N 2.96Å; L88-H92 WeakPolarHBondContact O-CB 3.44Å; L88-H92 PolarHBondContact O-N 3.03Å
89A94.4Very high91Very high30 Ų3057.4 Ų57.425%0.24828%0.281CS..Hα-helixtrans-63.7-40.8174.300000112.2D85 H86 H87 W93D85-A89 VanDerWaalsContact O-CB 3.29Å; D85-A89 WeakPolarHBondContact O-CB 3.28Å; D85-A89 PolarHBondContact O-N 2.85Å; H86-A89 PolarHBondContact O-N 3.16Å; H87-A89 VanDerWaalsContact C-N 3.34Å; H87-A89 PolarHBondContact O-N 2.61Å; A89-W93 PolarHBondContact O-N 2.87Å
90L95.9Very high91.2Very high3 Ų356.2 Ų56.22%0.01627%0.274CS..Hα-helixtrans-65.5-48.8175.6177.759.4000111.3F32 P49 Y52 L63 D66 V67 H86 H87 H92 W93 I94F32-L90 HydrophobicContact CE1-CD1 3.92Å; F32-L90 HydrophobicContact CE1-CD2 4.23Å; F32-L90 HydrophobicContact CE1-CG 4.39Å; F32-L90 HydrophobicContact CZ-CD1 3.87Å; P49-L90 HydrophobicContact CB-CD1 4.37Å; P49-L90 HydrophobicContact CG-CD1 4.46Å; Y52-L90 HydrophobicContact CE2-CD1 4.13Å; L63-L90 HydrophobicContact CD1-CD1 4.2Å; L63-L90 HydrophobicContact CD1-CD2 4.3Å; D66-L90 HydrophobicContact CB-CD2 4.34Å; V67-L90 HydrophobicContact CG2-CD2 4.24Å; H86-L90 PolarHBondContact O-N 3.23Å; H87-L90 PolarHBondContact O-N 2.98Å; L90-H92 VanDerWaalsContact C-N 3.34Å; L90-H92 PolarHBondContact O-N 3.26Å; L90-W93 WeakPolarHBondContact O-CB 3.47Å; L90-W93 PolarHBondContact O-N 2.85Å; L90-W93 VanDerWaalsContact O-N 3.11Å; L90-I94 HydrophobicContact CD1-CD1 4.35Å; L90-I94 HydrophobicContact CD1-CG1 4.47Å; L90-I94 HydrophobicContact CG-CD1 4.1Å; L90-I94 WeakPolarHBondContact O-CG1 3.33Å; L90-I94 PolarHBondContact O-N 2.83Å
91V96.5Very high91.5Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-61.7-43.3178.21720000110.8V14 L70 L76 H87 L88 W93 I94 L95V14-V91 HydrophobicContact CG1-CB 4.48Å; V14-V91 HydrophobicContact CG1-CG1 3.74Å; V14-V91 HydrophobicContact CG2-CG1 4.33Å; L70-V91 HydrophobicContact CD1-CG2 3.85Å; L76-V91 HydrophobicContact CD1-CG1 4.47Å; L76-V91 HydrophobicContact CD1-CG2 3.81Å; L76-V91 HydrophobicContact CD2-CG2 4.4Å; H87-V91 WeakPolarHBondContact O-CB 3.21Å; H87-V91 VanDerWaalsContact O-CG2 3.27Å; H87-V91 WeakPolarHBondContact O-CG2 3.39Å; H87-V91 PolarHBondContact O-N 2.98Å; L88-V91 PolarHBondContact O-N 2.96Å; V91-W93 VanDerWaalsContact C-N 3.31Å; V91-W93 PolarHBondContact O-N 3.4Å; V91-I94 PolarHBondContact O-N 3.39Å; V91-L95 HydrophobicContact CG1-CD1 3.67Å; V91-L95 HydrophobicContact CG1-CG 4.12Å; V91-L95 WeakPolarHBondContact O-CB 3.49Å; V91-L95 VanDerWaalsContact O-CG 3.27Å; V91-L95 WeakPolarHBondContact O-CG 3.42Å; V91-L95 PolarHBondContact O-N 3.25Å
92H95.9Very high92.1Very high34 Ų3446 Ų4616%0.15723%0.233CC..Hα-helixtrans-56.1-47.8172.8173.7-104.3000111V10 V14 L88 L90 I94 L95 S96V10-H92 HydrophobicContact CG1-CB 3.63Å; V14-H92 HydrophobicContact CG2-CB 3.56Å; L88-H92 WeakPolarHBondContact O-CB 3.44Å; L88-H92 PolarHBondContact O-N 3.03Å; L90-H92 VanDerWaalsContact C-N 3.34Å; L90-H92 PolarHBondContact O-N 3.26Å; H92-I94 VanDerWaalsContact C-N 3.35Å; H92-I94 PolarHBondContact O-N 2.85Å; H92-L95 PolarHBondContact O-N 3.5Å; H92-S96 PolarHBondContact CD2-OG 3.42Å; H92-S96 PolarHBondContact CE1-OG 2.78Å; H92-S96 PolarHBondContact NE2-OG 3.09Å; H92-S96 WeakPolarHBondContact O-CB 3.48Å; H92-S96 PolarHBondContact O-N 3.26Å; H92-S96 PolarHBondContact O-OG 3.32Å
93W95.7Very high92.8Very high70 Ų7039.7 Ų39.727%0.26521%0.212SC..Hα-helixtrans-59.9-43.8176.9178.486.1000112.5F32 P47 F48 P49 P50 A89 L90 V91 L95 S96F32-W93 AromaticContact CD2-CZ3 3.85Å; F32-W93 HydrophobicContact CD2-CZ3 3.85Å; F32-W93 HydrophobicContact CE2-CE3 4.32Å; F32-W93 HydrophobicContact CE2-CH2 4.18Å; F32-W93 AromaticContact CE2-CZ3 3.45Å; F32-W93 HydrophobicContact CE2-CZ3 3.45Å; F32-W93 VanDerWaalsContact CE2-CZ3 3.45Å; F32-W93 HydrophobicContact CZ-CZ3 4.27Å; P47-W93 HydrophobicContact CB-CH2 4.32Å; P47-W93 HydrophobicContact CB-CZ2 4.08Å; P47-W93 HydrophobicContact CG-CH2 4.11Å; P47-W93 HydrophobicContact CG-CZ2 4.17Å; P47-W93 WeakPolarHBondContact O-CH2 3.34Å; F48-W93 VanDerWaalsContact C-CZ2 3.45Å; F48-W93 WeakPolarHBondContact O-CZ2 3.16Å; P49-W93 HydrophobicContact CB-CD2 3.84Å; P49-W93 HydrophobicContact CB-CE3 3.86Å; P49-W93 HydrophobicContact CB-CG 4.45Å; P49-W93 HydrophobicContact CB-CH2 4.22Å; P49-W93 HydrophobicContact CB-CZ2 4.19Å; P49-W93 HydrophobicContact CB-CZ3 4.07Å; P49-W93 HydrophobicContact CG-CZ3 4.41Å; P50-W93 VanDerWaalsContact CD-NE1 3.26Å; A89-W93 PolarHBondContact O-N 2.87Å; L90-W93 WeakPolarHBondContact O-CB 3.47Å; L90-W93 PolarHBondContact O-N 2.85Å; L90-W93 VanDerWaalsContact O-N 3.11Å; V91-W93 VanDerWaalsContact C-N 3.31Å; V91-W93 PolarHBondContact O-N 3.4Å; W93-L95 VanDerWaalsContact C-N 3.29Å; W93-L95 PolarHBondContact O-N 3.08Å; W93-S96 PolarHBondContact O-N 3.15Å
94I96.1Very high93.2Very high4 Ų437.4 Ų37.42%0.02120%0.204CC..Hα-helixtrans-59-42.6176.2-65.9166.4000110.5R28 F32 L90 V91 H92R28-I94 HydrophobicContact CB-CG2 3.95Å; R28-I94 VanDerWaalsContact CZ-O 3.32Å; R28-I94 PolarHBondContact NE-O 3.31Å; R28-I94 PolarHBondContact NH2-O 2.73Å; F32-I94 HydrophobicContact CB-CD1 4.01Å; F32-I94 HydrophobicContact CB-CG1 4.22Å; F32-I94 HydrophobicContact CB-CG2 4.38Å; F32-I94 HydrophobicContact CD1-CD1 3.39Å; F32-I94 HydrophobicContact CD1-CG1 4.01Å; F32-I94 HydrophobicContact CD2-CD1 4.38Å; F32-I94 HydrophobicContact CD2-CG1 4.1Å; F32-I94 HydrophobicContact CE1-CD1 3.92Å; F32-I94 HydrophobicContact CE1-CG1 4.42Å; F32-I94 HydrophobicContact CG-CD1 3.65Å; F32-I94 HydrophobicContact CG-CG1 3.82Å; L90-I94 HydrophobicContact CD1-CD1 4.35Å; L90-I94 HydrophobicContact CD1-CG1 4.47Å; L90-I94 HydrophobicContact CG-CD1 4.1Å; L90-I94 WeakPolarHBondContact O-CG1 3.33Å; L90-I94 PolarHBondContact O-N 2.83Å; V91-I94 PolarHBondContact O-N 3.39Å; H92-I94 VanDerWaalsContact C-N 3.35Å; H92-I94 PolarHBondContact O-N 2.85Å
95L95.3Very high93.5Very high11 Ų1137.8 Ų37.86%0.05820%0.202CC..Hα-helixtrans-85.1-19.8-173.8-62.6-177000114.1C17 L18 A25 R28 V91 H92 W93 S97C17-L95 HydrophobicContact CB-CD1 4.04Å; L18-L95 HydrophobicContact CD2-CD1 4.03Å; A25-L95 HydrophobicContact CB-CD1 4.09Å; A25-L95 HydrophobicContact CB-CD2 3.91Å; R28-L95 HydrophobicContact CB-CD2 4.05Å; R28-L95 VanDerWaalsContact CZ-CA 3.46Å; R28-L95 PolarHBondContact NH1-O 3.09Å; R28-L95 VanDerWaalsContact NH2-CA 3.28Å; R28-L95 PolarHBondContact NH2-O 3.42Å; V91-L95 HydrophobicContact CG1-CD1 3.67Å; V91-L95 HydrophobicContact CG1-CG 4.12Å; V91-L95 WeakPolarHBondContact O-CB 3.49Å; V91-L95 VanDerWaalsContact O-CG 3.27Å; V91-L95 WeakPolarHBondContact O-CG 3.42Å; V91-L95 PolarHBondContact O-N 3.25Å; H92-L95 PolarHBondContact O-N 3.5Å; W93-L95 VanDerWaalsContact C-N 3.29Å; W93-L95 PolarHBondContact O-N 3.08Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.27Å
96S91.3Very high93.3Very high55 Ų5541.9 Ų41.939%0.38522%0.22SC..THydrogen-bonded Turntrans-87.115.2-173.8-69.50000115.5H92 W93 K98H92-S96 PolarHBondContact CD2-OG 3.42Å; H92-S96 PolarHBondContact CE1-OG 2.78Å; H92-S96 PolarHBondContact NE2-OG 3.09Å; H92-S96 WeakPolarHBondContact O-CB 3.48Å; H92-S96 PolarHBondContact O-N 3.26Å; H92-S96 PolarHBondContact O-OG 3.32Å; W93-S96 PolarHBondContact O-N 3.15Å; S96-K98 PolarHBondContact O-N 2.59Å
97S84.3Confident92.6Very high27 Ų2746.8 Ų46.819%0.18924%0.24CC..  trans-51.3126.8170.1-169.20000110.9L95 S99 F100 H169L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.27Å; S97-S99 PolarHBondContact OG-N 3.47Å; S97-F100 WeakPolarHBondContact OG-CE1 3.34Å; S97-H169 PolarHBondContact OG-CE1 3.12Å
98K84Confident91.8Very high160 Ų16052.5 Ų52.570%0.69627%0.272SS*.SBendtrans-93.9-5.3173.5-61.5-175.8-177.2178.20112.8S96 P136S96-K98 PolarHBondContact O-N 2.59Å; K98-P136 WeakPolarHBondContact O-CG 3.46Å
99S88Confident91.2Very high46 Ų4655.6 Ų55.632%0.32229%0.286SS..SBendtrans-83.4-21.1-174.3-53.60000113.2S97 P136S97-S99 PolarHBondContact OG-N 3.47Å; S99-P136 WeakPolarHBondContact O-CD 3.37Å
100F94Very high90.4Very high7 Ų756 Ų563%0.03128%0.282CS..  trans-163.7157.1179.159.6-89.8000110.1S97 V102 E134 Y135 I168 H169S97-F100 WeakPolarHBondContact OG-CE1 3.34Å; F100-V102 HydrophobicContact CD2-CG2 3.76Å; F100-V102 HydrophobicContact CE2-CG2 3.69Å; F100-E134 CarbonylContact C-O 3.59Å; F100-E134 VanDerWaalsContact CA-O 3.25Å; F100-E134 WeakPolarHBondContact CA-O 3.26Å; F100-Y135 HydrophobicContact CB-CD1 4.1Å; F100-Y135 HydrophobicContact CB-CE1 4.13Å; F100-I168 VanDerWaalsContact CD1-O 3.31Å; F100-I168 WeakPolarHBondContact CD1-O 3.13Å; F100-I168 HydrophobicContact CE1-CB 4.36Å; F100-I168 HydrophobicContact CE1-CG1 4.16Å; F100-I168 WeakPolarHBondContact CE1-O 3.18Å; F100-I168 HydrophobicContact CE2-CB 4.42Å; F100-I168 HydrophobicContact CE2-CD1 3.92Å; F100-I168 HydrophobicContact CE2-CG1 4.25Å; F100-I168 HydrophobicContact CZ-CB 4.05Å; F100-I168 HydrophobicContact CZ-CD1 3.61Å; F100-I168 HydrophobicContact CZ-CG1 3.62Å; F100-H169 HydrophobicContact CE1-CB 4.41Å; F100-H169 AromaticContact CE1-CE1 3.66Å; F100-H169 AromaticContact CE1-CG 3.74Å; F100-H169 AromaticContact CE1-ND1 3.46Å; F100-H169 WeakPolarHBondContact CE1-ND1 3.3Å; F100-H169 AromaticContact CZ-CD2 3.95Å; F100-H169 AromaticContact CZ-CE1 3.64Å; F100-H169 AromaticContact CZ-ND1 3.89Å; F100-H169 AromaticContact CZ-NE2 3.66Å
101A94.9Very high89.5Confident45 Ų4558.6 Ų58.637%0.37230%0.304SS..EExtended strand (participates in β ladder)trans-107.9152.5161.700000109.5L133 E134A101-L133 WeakPolarHBondContact O-CA 3.16Å; A101-E134 HydrophobicContact CB-CB 4.28Å; A101-E134 PolarHBondContact N-O 3.28Å; A101-E134 PolarHBondContact O-N 2.86Å
102V96.8Very high88.9Confident17 Ų1764 Ų6410%0.10333%0.328CS..EExtended strand (participates in β ladder)trans-115.3131174.4-177.50000107.3A24 L27 R28 F100 F131 E132A24-V102 HydrophobicContact CB-CB 4.17Å; A24-V102 HydrophobicContact CB-CG1 3.9Å; A24-V102 WeakPolarHBondContact CB-O 3.45Å; L27-V102 HydrophobicContact CD2-CG1 4.15Å; R28-V102 HydrophobicContact CG-CG2 4.05Å; F100-V102 HydrophobicContact CD2-CG2 3.76Å; F100-V102 HydrophobicContact CE2-CG2 3.69Å; V102-F131 HydrophobicContact CG1-CB 3.99Å; V102-F131 HydrophobicContact CG1-CD1 3.97Å; V102-F131 HydrophobicContact CG1-CG 4.32Å; V102-E132 WeakPolarHBondContact CA-O 3.29Å
103K95.9Very high88.2Confident95 Ų9562.9 Ų62.941%0.41332%0.323SS..EExtended strand (participates in β ladder)trans-125.8131.3-179.1-179.7179.7177.8-1740110.2F131 E132 E134K103-F131 CarbonylContact O-C 3.58Å; K103-F131 VanDerWaalsContact O-CA 3.26Å; K103-F131 WeakPolarHBondContact O-CA 3.34Å; K103-E132 PolarHBondContact N-O 3.07Å; K103-E132 PolarHBondContact O-N 3.4Å; K103-E134 VanDerWaalsContact CD-OE1 3.24Å; K103-E134 WeakPolarHBondContact CD-OE1 3.33Å; K103-E134 IonicContact NZ-OE1 2.79Å
104T96.6Very high87.3Confident31 Ų3161.4 Ų61.419%0.1932%0.323CS..EExtended strand (participates in β ladder)trans-73.3128173.8-56.40000110.1D21 V23 A24 F131D21-T104 VanDerWaalsContact CG-OG1 3.3Å; D21-T104 PolarHBondContact OD1-OG1 3.13Å; D21-T104 WeakPolarHBondContact OD2-CB 3.41Å; D21-T104 PolarHBondContact OD2-N 3.2Å; D21-T104 PolarHBondContact OD2-OG1 3.24Å; D21-T104 VanDerWaalsContact OD2-OG1 3.1Å; V23-T104 HydrophobicContact CB-CG2 4.13Å; V23-T104 WeakPolarHBondContact CB-OG1 3.39Å; V23-T104 HydrophobicContact CG1-CG2 4.01Å; A24-T104 PolarHBondContact N-OG1 3.11Å; T104-F131 HydrophobicContact CG2-CE1 4.45Å
105L94.4Very high86.5Confident22 Ų2267.7 Ų67.712%0.11535%0.35CS..EExtended strand (participates in β ladder)trans-98.5148.5175.7-63.2-173.4000111.3E109 L130 E132 Y272L105-E109 HydrophobicContact CB-CB 4.33Å; L105-E109 HydrophobicContact CB-CG 4.49Å; L105-E109 HydrophobicContact CD1-CB 4.41Å; L105-L130 HydrophobicContact CB-CB 4.22Å; L105-L130 HydrophobicContact CB-CD2 3.72Å; L105-L130 HydrophobicContact CB-CG 3.86Å; L105-L130 HydrophobicContact CD1-CD2 3.79Å; L105-L130 HydrophobicContact CD1-CG 3.94Å; L105-L130 HydrophobicContact CG-CD2 4.39Å; L105-L130 HydrophobicContact CG-CG 4.36Å; L105-L130 PolarHBondContact N-O 3.38Å; L105-E132 HydrophobicContact CD1-CB 4Å; L105-E132 HydrophobicContact CD2-CB 4.11Å; L105-E132 HydrophobicContact CG-CB 4.06Å; L105-Y272 HydrophobicContact CD1-CD1 3.78Å; L105-Y272 HydrophobicContact CD1-CE1 3.84Å
106Q87.8Confident85.7Confident139 Ų13970.9 Ų70.965%0.6537%0.367SS*.PPolyproline II helixtrans-80.2159.5175.4-61.7-58.5-29.100111.2D108 E109Q106-D108 PolarHBondContact O-N 2.86Å; Q106-E109 WeakPolarHBondContact O-CB 3.36Å; Q106-E109 PolarHBondContact O-N 3.49Å; Q106-E109 VanDerWaalsContact O-N 3.09Å
107K76.8Confident85Confident167 Ų16768.8 Ų68.873%0.72635%0.352SS*.THydrogen-bonded Turntrans-60-29.3-177.4-68.3-173.4177.4-177.40113.6E109 H110K107-E109 PolarHBondContact O-N 3.21Å; K107-H110 WeakPolarHBondContact O-CB 3.44Å; K107-H110 PolarHBondContact O-N 3.03Å
108D78.8Confident84.4Confident136 Ų13676.3 Ų76.373%0.72738%0.384SS*.Hα-helixtrans-66.9-25.8-179.8-56.8-26.5000112.3Q106 H110 A111Q106-D108 PolarHBondContact O-N 2.86Å; D108-H110 PolarHBondContact O-N 3.48Å; D108-A111 PolarHBondContact O-N 3.39Å
109E81.4Confident83.5Confident69 Ų6969.9 Ų69.932%0.32236%0.357SS..Hα-helixtrans-70.4-20.6173.6-61.9-66132.700112.1L105 Q106 K107 A111 K112 L113 L130L105-E109 HydrophobicContact CB-CB 4.33Å; L105-E109 HydrophobicContact CB-CG 4.49Å; L105-E109 HydrophobicContact CD1-CB 4.41Å; Q106-E109 WeakPolarHBondContact O-CB 3.36Å; Q106-E109 PolarHBondContact O-N 3.49Å; Q106-E109 VanDerWaalsContact O-N 3.09Å; K107-E109 PolarHBondContact O-N 3.21Å; E109-A111 VanDerWaalsContact C-N 3.28Å; E109-A111 PolarHBondContact O-N 2.85Å; E109-K112 WeakPolarHBondContact O-CB 3.34Å; E109-K112 PolarHBondContact O-N 2.8Å; E109-K112 VanDerWaalsContact O-N 3.14Å; E109-K112 IonicContact OE1-NZ 3.02Å; E109-K112 PolarHBondContact OE1-NZ 3.32Å; E109-K112 VanDerWaalsContact OE2-CD 3.32Å; E109-K112 WeakPolarHBondContact OE2-CD 3.23Å; E109-K112 IonicContact OE2-NZ 2.76Å; E109-K112 PolarHBondContact OE2-NZ 3.28Å; E109-L113 PolarHBondContact O-N 3.35Å; E109-L130 HydrophobicContact CB-CD2 4.39Å
110H77.9Confident82Confident38 Ų3874 Ų7418%0.17637%0.371CS..Hα-helixtrans-61.6-37.4176.2-175.1-98.9000111.9K107 D108 K112 L113 C114 P127K107-H110 WeakPolarHBondContact O-CB 3.44Å; K107-H110 PolarHBondContact O-N 3.03Å; D108-H110 PolarHBondContact O-N 3.48Å; H110-K112 VanDerWaalsContact C-N 3.26Å; H110-K112 PolarHBondContact O-N 3.34Å; H110-L113 WeakPolarHBondContact O-CB 3.45Å; H110-L113 PolarHBondContact O-N 2.94Å; H110-L113 VanDerWaalsContact O-N 3.13Å; H110-C114 PolarHBondContact CE1-SG 3.08Å; H110-C114 PolarHBondContact O-N 3.03Å; H110-C114 PolarHBondContact O-SG 2.79Å; H110-C114 VanDerWaalsContact O-SG 3.41Å; H110-P127 WeakPolarHBondContact NE2-CD 3.18Å
111A78.2Confident80.3Confident57 Ų5778 Ų7847%0.47141%0.414SS..Hα-helixtrans-63-34177.300000112.1D108 E109 K115D108-A111 PolarHBondContact O-N 3.39Å; E109-A111 VanDerWaalsContact C-N 3.28Å; E109-A111 PolarHBondContact O-N 2.85Å; A111-K115 PolarHBondContact O-N 3.04Å
112K82Confident79Confident113 Ų11379.7 Ų79.749%0.49142%0.419SS..Hα-helixtrans-68.5-37.7174.8-62.1175.1-175168.60111.4E109 H110 K115 L116E109-K112 WeakPolarHBondContact O-CB 3.34Å; E109-K112 PolarHBondContact O-N 2.8Å; E109-K112 VanDerWaalsContact O-N 3.14Å; E109-K112 IonicContact OE1-NZ 3.02Å; E109-K112 PolarHBondContact OE1-NZ 3.32Å; E109-K112 VanDerWaalsContact OE2-CD 3.32Å; E109-K112 WeakPolarHBondContact OE2-CD 3.23Å; E109-K112 IonicContact OE2-NZ 2.76Å; E109-K112 PolarHBondContact OE2-NZ 3.28Å; H110-K112 VanDerWaalsContact C-N 3.26Å; H110-K112 PolarHBondContact O-N 3.34Å; K112-K115 WeakPolarHBondContact O-CB 3.14Å; K112-K115 PolarHBondContact O-N 3.14Å; K112-L116 WeakPolarHBondContact O-CG 3.38Å; K112-L116 PolarHBondContact O-N 2.92Å
113L81.2Confident77.6Confident12 Ų1284.7 Ų84.76%0.06346%0.455CS..Hα-helixtrans-67.9-36.7176.3-71162.5000112.9E109 H110 K115 L116 T117 L130 L219 Y272E109-L113 PolarHBondContact O-N 3.35Å; H110-L113 WeakPolarHBondContact O-CB 3.45Å; H110-L113 PolarHBondContact O-N 2.94Å; H110-L113 VanDerWaalsContact O-N 3.13Å; L113-K115 VanDerWaalsContact C-N 3.27Å; L113-K115 PolarHBondContact O-N 2.97Å; L113-L116 HydrophobicContact CD2-CD1 4.31Å; L113-L116 PolarHBondContact O-N 3.36Å; L113-T117 PolarHBondContact O-N 3.07Å; L113-T117 PolarHBondContact O-OG1 2.87Å; L113-L130 HydrophobicContact CD1-CD1 3.52Å; L113-L130 HydrophobicContact CD1-CD2 3.32Å; L113-L130 HydrophobicContact CD1-CG 3.98Å; L113-L219 HydrophobicContact CD2-CD2 3.54Å; L113-Y272 HydrophobicContact CD2-CD1 4.18Å; L113-Y272 HydrophobicContact CD2-CD2 3.53Å; L113-Y272 HydrophobicContact CD2-CE1 4.2Å; L113-Y272 HydrophobicContact CD2-CE2 3.51Å; L113-Y272 HydrophobicContact CD2-CG 3.86Å
114C77.9Confident76.5Confident38 Ų3881.8 Ų81.826%0.25745%0.445SS..Hα-helixtrans-60.6-39.5172.7-67.10000111.5H110 T117 E118 N119H110-C114 PolarHBondContact CE1-SG 3.08Å; H110-C114 PolarHBondContact O-N 3.03Å; H110-C114 PolarHBondContact O-SG 2.79Å; H110-C114 VanDerWaalsContact O-SG 3.41Å; C114-T117 PolarHBondContact O-N 3.46Å; C114-T117 PolarHBondContact O-OG1 2.96Å; C114-E118 PolarHBondContact O-N 2.91Å; C114-N119 PolarHBondContact O-N 2.78Å
115K79.3Confident75.6Confident137 Ų13782.9 Ų82.960%0.59645%0.453SS*.Hα-helixtrans-64.1-43.9174.2-72.4175.8179.4-170.10112.6A111 K112 L113 T117 E118 E120A111-K115 PolarHBondContact O-N 3.04Å; K112-K115 WeakPolarHBondContact O-CB 3.14Å; K112-K115 PolarHBondContact O-N 3.14Å; L113-K115 VanDerWaalsContact C-N 3.27Å; L113-K115 PolarHBondContact O-N 2.97Å; K115-T117 PolarHBondContact O-N 3.32Å; K115-E118 PolarHBondContact O-N 3.02Å; K115-E120 WeakPolarHBondContact CE-OE1 3.46Å; K115-E120 WeakPolarHBondContact CG-OE1 3.44Å
116L79.3Confident75.2Confident78 Ų7886.2 Ų86.241%0.40847%0.474SS..Hα-helixtrans-64.3-19.8179.7-73173000114K112 L113 Y154K112-L116 WeakPolarHBondContact O-CG 3.38Å; K112-L116 PolarHBondContact O-N 2.92Å; L113-L116 HydrophobicContact CD2-CD1 4.31Å; L113-L116 PolarHBondContact O-N 3.36Å; L116-Y154 HydrophobicContact CB-CD2 4.12Å; L116-Y154 HydrophobicContact CD1-CE2 4.27Å; L116-Y154 HydrophobicContact CD2-CD2 4.26Å; L116-Y154 HydrophobicContact CD2-CE2 3.98Å
117T76.1Confident75.4Confident11 Ų1180.1 Ų80.17%0.06745%0.446CS..THydrogen-bonded Turntrans-111.38.5-175.5570000113L113 C114 K115 N119 F156 L219L113-T117 PolarHBondContact O-N 3.07Å; L113-T117 PolarHBondContact O-OG1 2.87Å; C114-T117 PolarHBondContact O-N 3.46Å; C114-T117 PolarHBondContact O-OG1 2.96Å; K115-T117 PolarHBondContact O-N 3.32Å; T117-N119 WeakPolarHBondContact CB-ND2 3.38Å; T117-N119 PolarHBondContact O-N 3.41Å; T117-N119 PolarHBondContact O-ND2 3.36Å; T117-N119 PolarHBondContact OG1-ND2 3.15Å; T117-N119 VanDerWaalsContact OG1-ND2 3.13Å; T117-F156 HydrophobicContact CG2-CE2 3.89Å; T117-F156 HydrophobicContact CG2-CZ 3.72Å; T117-L219 HydrophobicContact CG2-CD1 3.79Å; T117-L219 HydrophobicContact CG2-CD2 4.07Å
118E71.8Confident76.1Confident184 Ų18473.9 Ų73.986%0.8642%0.421SS*.THydrogen-bonded Turntrans54.322-179.6-57.9178.7177.300114C114 K115 E120C114-E118 PolarHBondContact O-N 2.91Å; K115-E118 PolarHBondContact O-N 3.02Å; E118-E120 VanDerWaalsContact C-N 3.27Å; E118-E120 PolarHBondContact O-N 3.47Å
119N63.4Low76.9Confident25 Ų2568.7 Ų68.713%0.13439%0.392CS..  trans-91.123-178-74.5-55.2000112.8C114 T117 G121 V122 S190C114-N119 PolarHBondContact O-N 2.78Å; T117-N119 WeakPolarHBondContact CB-ND2 3.38Å; T117-N119 PolarHBondContact O-N 3.41Å; T117-N119 PolarHBondContact O-ND2 3.36Å; T117-N119 PolarHBondContact OG1-ND2 3.15Å; T117-N119 VanDerWaalsContact OG1-ND2 3.13Å; N119-G121 PolarHBondContact O-N 2.92Å; N119-V122 PolarHBondContact O-N 2.87Å; N119-S190 PolarHBondContact ND2-O 3Å
120E58.6Low77.6Confident134 Ų13465.8 Ų65.863%0.62638%0.379SS*.THydrogen-bonded Turntrans-62.4127.4177.5-72.4-165152.400110.7K115 E118K115-E120 WeakPolarHBondContact CE-OE1 3.46Å; K115-E120 WeakPolarHBondContact CG-OE1 3.44Å; E118-E120 VanDerWaalsContact C-N 3.27Å; E118-E120 PolarHBondContact O-N 3.47Å
121G57.9Low78.5Confident89 Ų8964 Ų6492%0.91837%0.37SS*.THydrogen-bonded Turntrans88.7-4.5176.700000116.2N119N119-G121 PolarHBondContact O-N 2.92Å
122V65.9Low79.4Confident81 Ų8162.8 Ų62.849%0.49136%0.355SS..SBendtrans-88.6133.5173.9-175.20000109.9N119 V124N119-V122 PolarHBondContact O-N 2.87Å; V122-V124 VanDerWaalsContact C-N 3.33Å; V122-V124 HydrophobicContact CB-CG2 3.9Å; V122-V124 HydrophobicContact CG1-CG2 3.74Å; V122-V124 PolarHBondContact O-N 3.13Å
123S68.1Low80.1Confident123 Ų12357.4 Ų57.486%0.8633%0.332SS*.  trans-72.686.9174.2174.50000110.2
124V73.1Confident80.8Confident33 Ų3360.5 Ų60.520%0.235%0.346CS..PPolyproline II helixtrans-101.6144-178.7-1750000110.1V122 V126 L192V122-V124 VanDerWaalsContact C-N 3.33Å; V122-V124 HydrophobicContact CB-CG2 3.9Å; V122-V124 HydrophobicContact CG1-CG2 3.74Å; V122-V124 PolarHBondContact O-N 3.13Å; V124-V126 PolarHBondContact O-N 3.36Å; V124-L192 HydrophobicContact CG1-CB 3.58Å; V124-L192 HydrophobicContact CG1-CD2 3.29Å; V124-L192 HydrophobicContact CG1-CG 3.5Å; V124-L192 VanDerWaalsContact CG1-CG 3.5Å
125P78.4Confident81.6Confident55 Ų5560.5 Ų60.536%0.35734%0.341SS..PPolyproline II helixtrans-58.7127.7174.424.2-35.4000111V196 Y276P125-V196 HydrophobicContact CG-CG2 4.05Å; P125-Y276 HydrophobicContact CB-CE1 3.95Å; P125-Y276 HydrophobicContact CG-CE1 4.37Å; P125-Y276 PolarHBondContact O-OH 3.42Å
126V85.7Confident82.3Confident91 Ų9155.7 Ų55.755%0.55232%0.324SS*.PPolyproline II helixtrans-81.7127.5177.4-178.40000108.9V124V124-V126 PolarHBondContact O-N 3.36Å
127P91.4Very high83Confident11 Ų1158.1 Ų58.17%0.07134%0.337CS..PPolyproline II helixtrans-66.8144.5177.328.5-34.3000111.6H110 F129 L274 Y276H110-P127 WeakPolarHBondContact NE2-CD 3.18Å; P127-F129 VanDerWaalsContact C-N 3.32Å; P127-L274 HydrophobicContact CB-CB 4.01Å; P127-L274 HydrophobicContact CB-CG 4.44Å; P127-L274 HydrophobicContact CG-CB 4.32Å; P127-L274 HydrophobicContact CG-CD2 4.13Å; P127-L274 HydrophobicContact CG-CG 4.2Å; P127-Y276 VanDerWaalsContact CA-CE1 3.47Å; P127-Y276 HydrophobicContact CB-CD1 4.39Å; P127-Y276 HydrophobicContact CB-CE1 3.96Å
128D92.6Very high83.7Confident36 Ų3663.4 Ų63.419%0.19336%0.361CS..SBendtrans-71.8-32.3174.7-72.9-74.4000111.7V275 S277 K280D128-V275 PolarHBondContact N-O 2.93Å; D128-S277 PolarHBondContact OD2-N 3.15Å; D128-K280 HydrophobicContact CB-CD 4.38Å
129F94.7Very high84.6Confident28 Ų2858.3 Ų58.312%0.12334%0.336CS..EExtended strand (participates in β ladder)trans-140.2144.4179.4-51.9-89.5000110.6V23 P127 F131 L210 V275 K280V23-F129 HydrophobicContact CG1-CD1 3.93Å; V23-F129 HydrophobicContact CG1-CE1 4.24Å; P127-F129 VanDerWaalsContact C-N 3.32Å; F129-F131 HydrophobicContact CB-CD2 4.43Å; F129-F131 HydrophobicContact CB-CE2 3.5Å; F129-F131 VanDerWaalsContact CB-CE2 3.5Å; F129-F131 HydrophobicContact CB-CZ 3.82Å; F129-L210 HydrophobicContact CD1-CD2 3.65Å; F129-L210 HydrophobicContact CD2-CB 4.37Å; F129-L210 HydrophobicContact CD2-CD2 3.85Å; F129-L210 HydrophobicContact CE1-CD2 3.54Å; F129-L210 HydrophobicContact CE2-CB 3.89Å; F129-L210 HydrophobicContact CE2-CD2 3.76Å; F129-L210 HydrophobicContact CE2-CG 4.44Å; F129-L210 HydrophobicContact CG-CD2 3.78Å; F129-L210 HydrophobicContact CZ-CB 4.19Å; F129-L210 HydrophobicContact CZ-CD2 3.56Å; F129-L210 HydrophobicContact CZ-CG 4.49Å; F129-V275 HydrophobicContact CB-CB 4.28Å; F129-V275 PolarHBondContact N-O 2.54Å; F129-V275 VanDerWaalsContact N-O 3.09Å; F129-V275 PolarHBondContact O-N 3.01Å; F129-K280 HydrophobicContact CE2-CD 4.5Å
130L95.6Very high86Confident8 Ų859.4 Ų59.44%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-130.5135.3-178.6178.468.4000109L105 E109 L113 L274L105-L130 HydrophobicContact CB-CB 4.22Å; L105-L130 HydrophobicContact CB-CD2 3.72Å; L105-L130 HydrophobicContact CB-CG 3.86Å; L105-L130 HydrophobicContact CD1-CD2 3.79Å; L105-L130 HydrophobicContact CD1-CG 3.94Å; L105-L130 HydrophobicContact CG-CD2 4.39Å; L105-L130 HydrophobicContact CG-CG 4.36Å; L105-L130 PolarHBondContact N-O 3.38Å; E109-L130 HydrophobicContact CB-CD2 4.39Å; L113-L130 HydrophobicContact CD1-CD1 3.52Å; L113-L130 HydrophobicContact CD1-CD2 3.32Å; L113-L130 HydrophobicContact CD1-CG 3.98Å; L130-L274 HydrophobicContact CD1-CD1 4.28Å; L130-L274 HydrophobicContact CD1-CG 4.07Å
131F97.3Very high87.7Confident0 Ų057.6 Ų57.60%034%0.34CS..EExtended strand (participates in β ladder)trans-132.8146.3-178.1-54.5-92.9000111.2V23 A24 L27 V102 K103 T104 F129 L210 Y272 L273 V275V23-F131 HydrophobicContact CG1-CE1 3.8Å; V23-F131 HydrophobicContact CG1-CZ 3.82Å; A24-F131 HydrophobicContact CB-CD1 4.41Å; A24-F131 HydrophobicContact CB-CE1 4.48Å; L27-F131 HydrophobicContact CB-CE1 3.99Å; L27-F131 HydrophobicContact CB-CE2 4.41Å; L27-F131 HydrophobicContact CB-CZ 3.9Å; L27-F131 HydrophobicContact CD1-CE2 4.25Å; L27-F131 HydrophobicContact CD2-CB 4.11Å; L27-F131 HydrophobicContact CD2-CD1 3.76Å; L27-F131 HydrophobicContact CD2-CD2 3.51Å; L27-F131 HydrophobicContact CD2-CE1 3.96Å; L27-F131 HydrophobicContact CD2-CE2 3.71Å; L27-F131 HydrophobicContact CD2-CG 3.51Å; L27-F131 HydrophobicContact CD2-CZ 3.92Å; L27-F131 HydrophobicContact CG-CE2 4.34Å; L27-F131 HydrophobicContact CG-CZ 4.33Å; V102-F131 HydrophobicContact CG1-CB 3.99Å; V102-F131 HydrophobicContact CG1-CD1 3.97Å; V102-F131 HydrophobicContact CG1-CG 4.32Å; K103-F131 CarbonylContact O-C 3.58Å; K103-F131 VanDerWaalsContact O-CA 3.26Å; K103-F131 WeakPolarHBondContact O-CA 3.34Å; T104-F131 HydrophobicContact CG2-CE1 4.45Å; F129-F131 HydrophobicContact CB-CD2 4.43Å; F129-F131 HydrophobicContact CB-CE2 3.5Å; F129-F131 VanDerWaalsContact CB-CE2 3.5Å; F129-F131 HydrophobicContact CB-CZ 3.82Å; F131-L210 HydrophobicContact CZ-CD1 4.29Å; F131-L210 HydrophobicContact CZ-CD2 4.15Å; F131-Y272 CarbonylContact O-C 3.33Å; F131-Y272 WeakPolarHBondContact O-CA 3.41Å; F131-Y272 WeakPolarHBondContact O-CB 3.45Å; F131-L273 HydrophobicContact CB-CB 4.3Å; F131-L273 HydrophobicContact CD2-CB 4.5Å; F131-L273 PolarHBondContact N-O 3.48Å; F131-L273 PolarHBondContact O-N 3.07Å; F131-V275 HydrophobicContact CD2-CG2 3.97Å; F131-V275 HydrophobicContact CE2-CB 4.14Å; F131-V275 HydrophobicContact CE2-CG2 3.76Å
132E96.9Very high89.4Confident31 Ų3159.8 Ų59.815%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-107.1140.1170.8-176.2174.9-172.800110.4V102 K103 L105 E134 K271 Y272V102-E132 WeakPolarHBondContact CA-O 3.29Å; K103-E132 PolarHBondContact N-O 3.07Å; K103-E132 PolarHBondContact O-N 3.4Å; L105-E132 HydrophobicContact CD1-CB 4Å; L105-E132 HydrophobicContact CD2-CB 4.11Å; L105-E132 HydrophobicContact CG-CB 4.06Å; E132-E134 HydrophobicContact CG-CG 4.38Å; E132-K271 WeakPolarHBondContact OE1-CE 3.44Å; E132-K271 IonicContact OE1-NZ 3.79Å; E132-K271 PolarHBondContact OE1-NZ 3.02Å; E132-Y272 HydrophobicContact CB-CD1 3.94Å; E132-Y272 HydrophobicContact CB-CE1 4.04Å; E132-Y272 HydrophobicContact CG-CD1 4.07Å; E132-Y272 HydrophobicContact CG-CE1 3.81Å
133L96.9Very high90.7Very high0 Ų056.6 Ų56.60%030%0.3CS..EExtended strand (participates in β ladder)trans-95.9116167.4-76.778.4000109.2A101 Y135 I168 V270 K271 L273A101-L133 WeakPolarHBondContact O-CA 3.16Å; L133-Y135 HydrophobicContact CB-CE2 4.1Å; L133-I168 HydrophobicContact CD2-CB 4.1Å; L133-I168 HydrophobicContact CD2-CG2 4.03Å; L133-V270 HydrophobicContact CD1-CG1 4.2Å; L133-V270 HydrophobicContact CD2-CB 4.4Å; L133-V270 HydrophobicContact CD2-CG1 4.27Å; L133-K271 PolarHBondContact N-O 3.14Å; L133-L273 HydrophobicContact CD1-CD1 3.89Å; L133-L273 HydrophobicContact CD1-CG 3.72Å
134E95.5Very high91.9Very high77 Ų7754.9 Ų54.936%0.3628%0.278SS..EExtended strand (participates in β ladder)trans-99.2120174-68.9179.8179.900108.9F100 A101 K103 E132F100-E134 CarbonylContact C-O 3.59Å; F100-E134 VanDerWaalsContact CA-O 3.25Å; F100-E134 WeakPolarHBondContact CA-O 3.26Å; A101-E134 HydrophobicContact CB-CB 4.28Å; A101-E134 PolarHBondContact N-O 3.28Å; A101-E134 PolarHBondContact O-N 2.86Å; K103-E134 VanDerWaalsContact CD-OE1 3.24Å; K103-E134 WeakPolarHBondContact CD-OE1 3.33Å; K103-E134 IonicContact NZ-OE1 2.79Å; E132-E134 HydrophobicContact CG-CG 4.38Å
135Y95.3Very high92.9Very high38 Ų3861.2 Ų61.215%0.14930%0.303CS..PPolyproline II helixtrans-96.3145.6180-66.2-80000110.8F100 L133 N140 R269 V270F100-Y135 HydrophobicContact CB-CD1 4.1Å; F100-Y135 HydrophobicContact CB-CE1 4.13Å; L133-Y135 HydrophobicContact CB-CE2 4.1Å; Y135-N140 PolarHBondContact O-ND2 2.8Å; Y135-R269 HydrophobicContact CE2-CB 4.27Å; Y135-R269 HydrophobicContact CE2-CG 4.3Å; Y135-V270 VanDerWaalsContact CE2-O 3.3Å; Y135-V270 WeakPolarHBondContact CE2-O 3.37Å; Y135-V270 PolarHBondContact OH-O 2.87Å
136P94.1Very high93.6Very high37 Ų3761 Ų6124%0.2430%0.298CS..PPolyproline II helixtrans-59.1156.9172.3-21.630.4000113K98 S99 H138 F139 N140K98-P136 WeakPolarHBondContact O-CG 3.46Å; S99-P136 WeakPolarHBondContact O-CD 3.37Å; P136-H138 VanDerWaalsContact C-N 3.28Å; P136-H138 PolarHBondContact O-N 2.63Å; P136-H138 VanDerWaalsContact O-N 3.12Å; P136-F139 HydrophobicContact CB-CD2 4.49Å; P136-F139 HydrophobicContact CG-CD2 4.25Å; P136-F139 WeakPolarHBondContact O-CB 3.36Å; P136-F139 PolarHBondContact O-N 2.86Å; P136-N140 PolarHBondContact O-N 3.06Å; P136-N140 VanDerWaalsContact O-N 3.15Å
137D93.6Very high93.9Very high128 Ų12860 Ų6068%0.68428%0.284SS*.Hα-helixtrans-53.7-39.5-174.6-63.7-23000114.2F139 N140 T141D137-F139 VanDerWaalsContact C-N 3.3Å; D137-F139 PolarHBondContact O-N 2.97Å; D137-N140 PolarHBondContact O-N 3.36Å; D137-N140 VanDerWaalsContact O-N 3.14Å; D137-T141 WeakPolarHBondContact O-CB 3.37Å; D137-T141 PolarHBondContact O-N 3.26Å; D137-T141 PolarHBondContact O-OG1 3.18Å; D137-T141 VanDerWaalsContact O-OG1 3.04Å
138H91.6Very high94Very high123 Ų12365.9 Ų65.957%0.56931%0.311SS*.Hα-helixtrans-63.9-33.7179.365.8-85.9000113P136 R142P136-H138 VanDerWaalsContact C-N 3.28Å; P136-H138 PolarHBondContact O-N 2.63Å; P136-H138 VanDerWaalsContact O-N 3.12Å; H138-R142 WeakPolarHBondContact O-CB 3.46Å; H138-R142 PolarHBondContact O-N 3.34Å
139F91.1Very high93.9Very high77 Ų7767.9 Ų67.934%0.33834%0.34SS..Hα-helixtrans-72.4-40172.6-80.6-77.3000111.3P136 D137 R142 F143P136-F139 HydrophobicContact CB-CD2 4.49Å; P136-F139 HydrophobicContact CG-CD2 4.25Å; P136-F139 WeakPolarHBondContact O-CB 3.36Å; P136-F139 PolarHBondContact O-N 2.86Å; D137-F139 VanDerWaalsContact C-N 3.3Å; D137-F139 PolarHBondContact O-N 2.97Å; F139-R142 PolarHBondContact O-N 3.36Å; F139-F143 PolarHBondContact O-N 3.28Å
140N92.8Very high93.8Very high47 Ų4770 Ų7025%0.25135%0.347SS..Hα-helixtrans-62.1-49.1176.1-66-31.2000111.3Y135 P136 D137 R142 F143 E144 R269Y135-N140 PolarHBondContact O-ND2 2.8Å; P136-N140 PolarHBondContact O-N 3.06Å; P136-N140 VanDerWaalsContact O-N 3.15Å; D137-N140 PolarHBondContact O-N 3.36Å; D137-N140 VanDerWaalsContact O-N 3.14Å; N140-R142 VanDerWaalsContact C-N 3.28Å; N140-R142 PolarHBondContact O-N 3.09Å; N140-F143 PolarHBondContact O-N 3.4Å; N140-F143 VanDerWaalsContact O-N 3.08Å; N140-E144 WeakPolarHBondContact O-CG 3.45Å; N140-E144 PolarHBondContact O-N 2.98Å; N140-R269 PolarHBondContact OD1-NH1 2.89Å
141T93.8Very high93.7Very high96 Ų9674.8 Ų74.859%0.58937%0.369SS*.Hα-helixtrans-59.2-39.1177-600000111.9D137 K145D137-T141 WeakPolarHBondContact O-CB 3.37Å; D137-T141 PolarHBondContact O-N 3.26Å; D137-T141 PolarHBondContact O-OG1 3.18Å; D137-T141 VanDerWaalsContact O-OG1 3.04Å; T141-K145 VanDerWaalsContact O-CB 3.29Å; T141-K145 WeakPolarHBondContact O-CB 3.35Å; T141-K145 PolarHBondContact O-N 2.6Å
142R92.6Very high93.5Very high136 Ų13676.6 Ų76.651%0.51338%0.38SS..Hα-helixtrans-64.3-44.7174.5-177.2179.8177.7-179.80.8111.5H138 F139 N140 K145 M146H138-R142 WeakPolarHBondContact O-CB 3.46Å; H138-R142 PolarHBondContact O-N 3.34Å; F139-R142 PolarHBondContact O-N 3.36Å; N140-R142 VanDerWaalsContact C-N 3.28Å; N140-R142 PolarHBondContact O-N 3.09Å; R142-K145 PolarHBondContact O-N 3.27Å; R142-M146 WeakPolarHBondContact O-CG 3.41Å; R142-M146 PolarHBondContact O-N 3.31Å
143F93.6Very high93.4Very high14 Ų1477.4 Ų77.46%0.06138%0.383CS..Hα-helixtrans-63.5-45.7178.7-172.8-100.2000111.5F139 N140 K145 M146 R147 V152 E221 I223 R269F139-F143 PolarHBondContact O-N 3.28Å; N140-F143 PolarHBondContact O-N 3.4Å; N140-F143 VanDerWaalsContact O-N 3.08Å; F143-K145 VanDerWaalsContact C-N 3.32Å; F143-K145 PolarHBondContact O-N 3.26Å; F143-M146 PolarHBondContact O-N 2.91Å; F143-M146 VanDerWaalsContact O-N 3.15Å; F143-R147 WeakPolarHBondContact O-CB 3.25Å; F143-R147 PolarHBondContact O-N 2.97Å; F143-V152 HydrophobicContact CE1-CG1 4.38Å; F143-E221 HydrophobicContact CE1-CG 4.23Å; F143-E221 HydrophobicContact CZ-CG 4.08Å; F143-I223 HydrophobicContact CD2-CD1 4.17Å; F143-I223 HydrophobicContact CE1-CD1 4.45Å; F143-I223 HydrophobicContact CE1-CG1 4.22Å; F143-I223 HydrophobicContact CE2-CD1 3.83Å; F143-I223 HydrophobicContact CE2-CG1 3.98Å; F143-I223 HydrophobicContact CZ-CD1 3.99Å; F143-I223 HydrophobicContact CZ-CG1 3.69Å; F143-R269 HydrophobicContact CD2-CG 4.31Å; F143-R269 HydrophobicContact CE2-CG 4.01Å; F143-R269 HydrophobicContact CZ-CG 4.3Å
144E93.6Very high93.2Very high86 Ų8679.1 Ų79.140%0.40239%0.39SS..Hα-helixtrans-64.2-35.6175.9-67.8-56.4148.800112.5N140 R147 E148N140-E144 WeakPolarHBondContact O-CG 3.45Å; N140-E144 PolarHBondContact O-N 2.98Å; E144-R147 WeakPolarHBondContact O-CB 3.35Å; E144-R147 PolarHBondContact O-N 3.11Å; E144-R147 IonicContact OE1-NH1 2.68Å; E144-R147 VanDerWaalsContact OE2-CD 3.24Å; E144-R147 WeakPolarHBondContact OE2-CD 3.3Å; E144-R147 IonicContact OE2-NH1 2.73Å; E144-R147 PolarHBondContact OE2-NH1 2.87Å; E144-E148 PolarHBondContact O-N 3.26Å
145K93.8Very high93.1Very high166 Ų16675.4 Ų75.472%0.72237%0.373SS*.Hα-helixtrans-63.4-41.8172.7-174.9176.8178.8178.60111.8T141 R142 F143 R147 E148T141-K145 VanDerWaalsContact O-CB 3.29Å; T141-K145 WeakPolarHBondContact O-CB 3.35Å; T141-K145 PolarHBondContact O-N 2.6Å; R142-K145 PolarHBondContact O-N 3.27Å; F143-K145 VanDerWaalsContact C-N 3.32Å; F143-K145 PolarHBondContact O-N 3.26Å; K145-R147 VanDerWaalsContact C-N 3.29Å; K145-E148 VanDerWaalsContact O-CG 3.26Å; K145-E148 WeakPolarHBondContact O-CG 3.44Å; K145-E148 PolarHBondContact O-N 3.47Å
146M92.5Very high93.1Very high51 Ų5173.9 Ų73.925%0.25137%0.367SS..Hα-helixtrans-69.1-28.5176-68.8-54.7-56.500112.8R142 F143 E148 I223 Q266R142-M146 WeakPolarHBondContact O-CG 3.41Å; R142-M146 PolarHBondContact O-N 3.31Å; F143-M146 PolarHBondContact O-N 2.91Å; F143-M146 VanDerWaalsContact O-N 3.15Å; M146-E148 VanDerWaalsContact C-N 3.31Å; M146-I223 HydrophobicContact CB-CD1 3.96Å; M146-Q266 HydrophobicContact CE-CB 4.34Å; M146-Q266 HydrophobicContact CG-CB 4.46Å
147R93.5Very high93.2Very high69 Ų6973.2 Ų73.226%0.2636%0.36SS..Hα-helixtrans-65.6-34.5178.3-175.6-174.6174.6-176.10111.9F143 E144 K145 G149 R150 V152 I223F143-R147 WeakPolarHBondContact O-CB 3.25Å; F143-R147 PolarHBondContact O-N 2.97Å; E144-R147 WeakPolarHBondContact O-CB 3.35Å; E144-R147 PolarHBondContact O-N 3.11Å; E144-R147 IonicContact OE1-NH1 2.68Å; E144-R147 VanDerWaalsContact OE2-CD 3.24Å; E144-R147 WeakPolarHBondContact OE2-CD 3.3Å; E144-R147 IonicContact OE2-NH1 2.73Å; E144-R147 PolarHBondContact OE2-NH1 2.87Å; K145-R147 VanDerWaalsContact C-N 3.29Å; R147-G149 PolarHBondContact O-N 2.87Å; R147-G149 VanDerWaalsContact O-N 3.08Å; R147-R150 VanDerWaalsContact CG-O 3.3Å; R147-R150 WeakPolarHBondContact CG-O 3.25Å; R147-R150 PolarHBondContact NE-O 3.08Å; R147-R150 PolarHBondContact NH2-O 3.35Å; R147-R150 WeakPolarHBondContact O-CB 3.28Å; R147-R150 WeakPolarHBondContact O-CG 3.48Å; R147-R150 PolarHBondContact O-N 3.34Å; R147-V152 HydrophobicContact CG-CG1 4.38Å; R147-I223 HydrophobicContact CB-CD1 3.99Å; R147-I223 HydrophobicContact CB-CG1 4.16Å; R147-I223 HydrophobicContact CG-CG1 4.36Å; R147-I223 HydrophobicContact CG-CG2 4.48Å
148E92.3Very high93.3Very high136 Ų13667.7 Ų67.764%0.63633%0.333SS*.THydrogen-bonded Turntrans49.737178-59.7179.5161.600113E144 K145 M146 R150E144-E148 PolarHBondContact O-N 3.26Å; K145-E148 VanDerWaalsContact O-CG 3.26Å; K145-E148 WeakPolarHBondContact O-CG 3.44Å; K145-E148 PolarHBondContact O-N 3.47Å; M146-E148 VanDerWaalsContact C-N 3.31Å; E148-R150 VanDerWaalsContact C-N 3.28Å; E148-R150 PolarHBondContact O-N 3.42Å; E148-R150 IonicContact OE2-CZ 3.26Å; E148-R150 IonicContact OE2-NE 3.51Å; E148-R150 IonicContact OE2-NH2 2.69Å; E148-R150 PolarHBondContact OE2-NH2 3.49Å
149G90.9Very high93.4Very high77 Ų7762.6 Ų62.679%0.79431%0.312SS*.THydrogen-bonded Turntrans76.52.6-178.600000116R147R147-G149 PolarHBondContact O-N 2.87Å; R147-G149 VanDerWaalsContact O-N 3.08Å
150R93.1Very high93.6Very high73 Ų7363.7 Ų63.728%0.27531%0.314SS..  trans-69.8162.1176.9-59.4175.5-157.8-165.713.9111.7R147 E148 I223 D224 H225R147-R150 VanDerWaalsContact CG-O 3.3Å; R147-R150 WeakPolarHBondContact CG-O 3.25Å; R147-R150 PolarHBondContact NE-O 3.08Å; R147-R150 PolarHBondContact NH2-O 3.35Å; R147-R150 WeakPolarHBondContact O-CB 3.28Å; R147-R150 WeakPolarHBondContact O-CG 3.48Å; R147-R150 PolarHBondContact O-N 3.34Å; E148-R150 VanDerWaalsContact C-N 3.28Å; E148-R150 PolarHBondContact O-N 3.42Å; E148-R150 IonicContact OE2-CZ 3.26Å; E148-R150 IonicContact OE2-NE 3.51Å; E148-R150 IonicContact OE2-NH2 2.69Å; E148-R150 PolarHBondContact OE2-NH2 3.49Å; R150-I223 HydrophobicContact CB-CG2 4.17Å; R150-D224 WeakPolarHBondContact CD-O 3.43Å; R150-H225 VanDerWaalsContact CZ-CD2 3.44Å; R150-H225 PolarHBondContact NH1-CD2 2.98Å; R150-H225 PolarHBondContact NH1-NE2 3.12Å
151E93.1Very high93.8Very high108 Ų10861.4 Ų61.451%0.50530%0.302SS..  trans-71.7157.5174.7-70.9177.8-172.200111.6D224 K235E151-D224 WeakPolarHBondContact O-CB 3.29Å; E151-D224 PolarHBondContact O-N 2.97Å; E151-K235 IonicContact OE1-NZ 2.72Å; E151-K235 PolarHBondContact OE1-NZ 3.3Å; E151-K235 IonicContact OE2-NZ 2.81Å; E151-K235 PolarHBondContact OE2-NZ 3.32Å
152V94.1Very high94Very high39 Ų3957.4 Ų57.424%0.23628%0.276CS..EExtended strand (participates in β ladder)trans-118.2145.7172-64.40000109.2F143 R147 E221 I222 I223F143-V152 HydrophobicContact CE1-CG1 4.38Å; R147-V152 HydrophobicContact CG-CG1 4.38Å; V152-E221 HydrophobicContact CB-CG 4.19Å; V152-E221 HydrophobicContact CG1-CG 4.48Å; V152-E221 HydrophobicContact CG2-CG 4.44Å; V152-I222 CarbonylContact C-O 3.56Å; V152-I222 WeakPolarHBondContact CA-O 3.2Å; V152-I223 HydrophobicContact CG1-CG1 4.32Å
153F92.9Very high94.1Very high48 Ų4852.7 Ų52.721%0.21126%0.261CS..EExtended strand (participates in β ladder)trans-134.4169.317469.9-84.5000110.2A155 I222 D224 V228 F260F153-A155 HydrophobicContact CE2-CB 4.48Å; F153-I222 HydrophobicContact CD1-CB 4.34Å; F153-I222 HydrophobicContact CD2-CD1 4.1Å; F153-I222 HydrophobicContact CE1-CB 3.97Å; F153-I222 HydrophobicContact CE1-CG2 3.74Å; F153-I222 HydrophobicContact CE2-CB 4.22Å; F153-I222 HydrophobicContact CE2-CD1 3.68Å; F153-I222 HydrophobicContact CE2-CG2 4.4Å; F153-I222 HydrophobicContact CZ-CB 3.91Å; F153-I222 HydrophobicContact CZ-CD1 4.13Å; F153-I222 HydrophobicContact CZ-CG2 3.66Å; F153-I222 PolarHBondContact N-O 2.99Å; F153-I222 PolarHBondContact O-N 3.49Å; F153-D224 HydrophobicContact CD1-CB 4.24Å; F153-D224 HydrophobicContact CE1-CB 4.35Å; F153-V228 HydrophobicContact CZ-CG1 4.1Å; F153-F260 HydrophobicContact CD2-CE1 4.43Å; F153-F260 AromaticContact CE2-CD1 3.61Å; F153-F260 HydrophobicContact CE2-CD1 3.61Å; F153-F260 HydrophobicContact CE2-CD2 4.27Å; F153-F260 AromaticContact CE2-CE1 3.67Å; F153-F260 HydrophobicContact CE2-CE1 3.67Å; F153-F260 HydrophobicContact CE2-CE2 4.3Å; F153-F260 AromaticContact CE2-CG 3.95Å; F153-F260 HydrophobicContact CE2-CG 3.95Å; F153-F260 HydrophobicContact CE2-CZ 4.03Å; F153-F260 AromaticContact CZ-CD1 3.77Å; F153-F260 HydrophobicContact CZ-CD1 3.77Å; F153-F260 HydrophobicContact CZ-CE1 4.09Å; F153-F260 HydrophobicContact CZ-CG 4.32Å
154Y93.7Very high94.3Very high35 Ų3552 Ų5214%0.13726%0.258CS..EExtended strand (participates in β ladder)trans-117.4136.2-173.9-68.3-91.5000111.6L116 L219 C220 E221 K271 Y272L116-Y154 HydrophobicContact CB-CD2 4.12Å; L116-Y154 HydrophobicContact CD1-CE2 4.27Å; L116-Y154 HydrophobicContact CD2-CD2 4.26Å; L116-Y154 HydrophobicContact CD2-CE2 3.98Å; Y154-L219 HydrophobicContact CD1-CD2 4.25Å; Y154-L219 HydrophobicContact CD1-CG 4.11Å; Y154-C220 VanDerWaalsContact CA-O 3.3Å; Y154-C220 WeakPolarHBondContact CA-O 3.19Å; Y154-E221 HydrophobicContact CD1-CB 4.26Å; Y154-E221 HydrophobicContact CE1-CB 3.78Å; Y154-E221 HydrophobicContact CE1-CG 4.07Å; Y154-E221 PolarHBondContact OH-OE1 3.29Å; Y154-K271 HydrophobicContact CE1-CB 4.43Å; Y154-K271 HydrophobicContact CE1-CG 4.36Å; Y154-Y272 HydrophobicContact CE1-CE2 4.03Å
155A94.1Very high94.5Very high0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-145.9149.6174.200000111.9F153 L188 T189 C220 I222 F260F153-A155 HydrophobicContact CE2-CB 4.48Å; A155-L188 HydrophobicContact CB-CB 3.79Å; A155-T189 CarbonylContact C-O 3.54Å; A155-C220 PolarHBondContact N-O 3.36Å; A155-C220 VanDerWaalsContact N-O 3.13Å; A155-C220 PolarHBondContact O-N 3.27Å; A155-I222 HydrophobicContact CB-CD1 3.5Å; A155-F260 HydrophobicContact CB-CD2 3.87Å; A155-F260 HydrophobicContact CB-CE2 4.16Å
156F95.1Very high94.6Very high6 Ų640.9 Ų40.93%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-83.7145.6-176.8-59.8-79.3000112.3T117 L188 T189 L192 A195 V217 A218 L219 L274T117-F156 HydrophobicContact CG2-CE2 3.89Å; T117-F156 HydrophobicContact CG2-CZ 3.72Å; F156-L188 CarbonylContact O-C 3.59Å; F156-L188 WeakPolarHBondContact O-CA 3.23Å; F156-T189 HydrophobicContact CB-CG2 4.25Å; F156-T189 PolarHBondContact N-O 3.41Å; F156-T189 PolarHBondContact O-N 2.96Å; F156-L192 HydrophobicContact CD1-CB 4.39Å; F156-L192 HydrophobicContact CD1-CD1 3.77Å; F156-L192 HydrophobicContact CD2-CB 3.94Å; F156-L192 HydrophobicContact CE1-CB 4.15Å; F156-L192 HydrophobicContact CE1-CD1 3.92Å; F156-L192 HydrophobicContact CE1-CD2 4.14Å; F156-L192 HydrophobicContact CE1-CG 4.3Å; F156-L192 HydrophobicContact CE2-CB 3.71Å; F156-L192 HydrophobicContact CG-CB 4.28Å; F156-L192 HydrophobicContact CG-CD1 4.17Å; F156-L192 HydrophobicContact CZ-CB 3.81Å; F156-L192 HydrophobicContact CZ-CD1 4.45Å; F156-L192 HydrophobicContact CZ-CD2 4.22Å; F156-L192 HydrophobicContact CZ-CG 4.38Å; F156-A195 HydrophobicContact CB-CB 3.52Å; F156-A195 HydrophobicContact CG-CB 4.44Å; F156-V217 HydrophobicContact CB-CG1 4.05Å; F156-V217 HydrophobicContact CD1-CG1 3.95Å; F156-V217 HydrophobicContact CG-CG1 4.42Å; F156-A218 CarbonylContact C-O 3.52Å; F156-A218 VanDerWaalsContact CA-O 3.28Å; F156-A218 WeakPolarHBondContact CA-O 3.33Å; F156-L219 HydrophobicContact CD1-CB 4.29Å; F156-L219 HydrophobicContact CD1-CD1 3.7Å; F156-L219 HydrophobicContact CD2-CD1 4.43Å; F156-L219 HydrophobicContact CE1-CB 4.34Å; F156-L219 HydrophobicContact CE1-CD1 3.66Å; F156-L219 HydrophobicContact CE1-CD2 4.46Å; F156-L219 HydrophobicContact CE1-CG 4.37Å; F156-L219 HydrophobicContact CE2-CD1 4.37Å; F156-L219 HydrophobicContact CG-CD1 4.11Å; F156-L219 HydrophobicContact CZ-CD1 4.01Å; F156-L274 HydrophobicContact CE1-CD1 4.36Å; F156-L274 HydrophobicContact CE1-CD2 4.11Å
157H95.7Very high94.7Very high22 Ų2239 Ų3910%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-125.3115.9169.1-175.368.7000109.5L172 Y187 L188 A218H157-L172 HydrophobicContact CB-CD1 4.03Å; H157-L172 WeakPolarHBondContact CD2-CD2 3.44Å; H157-L172 WeakPolarHBondContact NE2-CD2 3.43Å; H157-Y187 PolarHBondContact ND1-O 2.78Å; H157-L188 HydrophobicContact CB-CD2 3.59Å; H157-A218 HydrophobicContact CB-CB 4.21Å; H157-A218 PolarHBondContact N-O 2.99Å; H157-A218 PolarHBondContact O-N 3.13Å
158G94.8Very high94.8Very high12 Ų1236.1 Ų36.112%0.12419%0.191CC..EExtended strand (participates in β ladder)trans-88.1138.2171.400000111.7A195 S199G158-A195 WeakPolarHBondContact CA-O 3.32Å; G158-S199 WeakPolarHBondContact CA-OG 3.46Å
159S94.9Very high95Very high16 Ų1631.4 Ų31.411%0.11217%0.169CC..EExtended strand (participates in β ladder)trans-153.9163.5176.3-148.10000111.2N163 F164 Y198 S199S159-N163 PolarHBondContact OG-ND2 2.87Å; S159-F164 WeakPolarHBondContact O-CE2 3.41Å; S159-Y198 CarbonylContact C-O 3.59Å; S159-Y198 VanDerWaalsContact C-O 3.27Å; S159-Y198 WeakPolarHBondContact CA-O 3.47Å; S159-Y198 PolarHBondContact N-O 3.11Å; S159-S199 PolarHBondContact N-OG 3.28Å; S159-S199 WeakPolarHBondContact O-CA 3.46Å; S159-S199 PolarHBondContact O-OG 3.24Å
160R95.4Very high95.1Very high100 Ų10031 Ų3138%0.37715%0.148SC..  trans-68.6144.4171.8-63.617860.5148.60.4110.3E162 N163 F164 P200R160-E162 VanDerWaalsContact C-N 3.27Å; R160-E162 HydrophobicContact CB-CG 4.33Å; R160-E162 IonicContact CZ-OE1 2.99Å; R160-E162 IonicContact NE-OE1 3.67Å; R160-E162 PolarHBondContact NE-OE1 2.95Å; R160-E162 IonicContact NE-OE2 3.99Å; R160-E162 IonicContact NH2-OE1 3.43Å; R160-E162 PolarHBondContact NH2-OE1 3.4Å; R160-E162 PolarHBondContact O-N 3.38Å; R160-N163 WeakPolarHBondContact O-CB 3.47Å; R160-N163 PolarHBondContact O-N 2.94Å; R160-F164 WeakPolarHBondContact O-CD2 3.47Å; R160-P200 HydrophobicContact CG-CG 3.97Å
161L97Very high95Very high0 Ų029 Ų290%015%0.15CC..G310 helixtrans-52.3-43.8-174.6-171.869.7000112.9L31 A34 N163 F164 L214 C216L31-L161 HydrophobicContact CD2-CD1 3.67Å; L31-L161 HydrophobicContact CD2-CG 4.3Å; A34-L161 HydrophobicContact CB-CD2 3.79Å; A34-L161 HydrophobicContact CB-CG 3.91Å; L161-N163 PolarHBondContact O-N 2.91Å; L161-N163 VanDerWaalsContact O-N 3.09Å; L161-F164 WeakPolarHBondContact O-CB 3.4Å; L161-F164 PolarHBondContact O-N 3.27Å; L161-L214 HydrophobicContact CD1-CB 3.89Å; L161-L214 HydrophobicContact CD2-CB 3.84Å; L161-C216 HydrophobicContact CD1-CB 3.88Å
162E96.6Very high94.8Very high12 Ų1224.3 Ų24.36%0.05613%0.129CC..G310 helixtrans-62.2-16.1-17957.9-94.8-142.500114.4A34 A35 L44 R160 S202A34-E162 HydrophobicContact CB-CB 4.41Å; A34-E162 WeakPolarHBondContact O-CB 3.31Å; A35-E162 WeakPolarHBondContact CB-O 3.38Å; L44-E162 HydrophobicContact CD1-CB 4.11Å; L44-E162 HydrophobicContact CD1-CG 3.67Å; R160-E162 VanDerWaalsContact C-N 3.27Å; R160-E162 HydrophobicContact CB-CG 4.33Å; R160-E162 IonicContact CZ-OE1 2.99Å; R160-E162 IonicContact NE-OE1 3.67Å; R160-E162 PolarHBondContact NE-OE1 2.95Å; R160-E162 IonicContact NE-OE2 3.99Å; R160-E162 IonicContact NH2-OE1 3.43Å; R160-E162 PolarHBondContact NH2-OE1 3.4Å; R160-E162 PolarHBondContact O-N 3.38Å; E162-S202 PolarHBondContact OE2-OG 3.45Å
163N96.3Very high94.1Very high37 Ų3726 Ų2620%0.19813%0.134CC..G310 helixtrans-80.7-24.6175-61.5-25.7000112.1L44 S159 R160 L161 H165 S166 I167L44-N163 VanDerWaalsContact CD1-OD1 3.32Å; L44-N163 WeakPolarHBondContact CD1-OD1 3.49Å; L44-N163 WeakPolarHBondContact CD2-OD1 3.47Å; S159-N163 PolarHBondContact OG-ND2 2.87Å; R160-N163 WeakPolarHBondContact O-CB 3.47Å; R160-N163 PolarHBondContact O-N 2.94Å; L161-N163 PolarHBondContact O-N 2.91Å; L161-N163 VanDerWaalsContact O-N 3.09Å; N163-H165 VanDerWaalsContact C-N 3.31Å; N163-H165 PolarHBondContact O-N 3.48Å; N163-S166 PolarHBondContact O-N 3.31Å; N163-I167 HydrophobicContact CB-CD1 3.85Å; N163-I167 HydrophobicContact CB-CG1 4.44Å; N163-I167 WeakPolarHBondContact O-CG1 3.21Å; N163-I167 PolarHBondContact O-N 3.04Å
164F97.3Very high93Very high0 Ų024 Ų240%013%0.126CC..Hα-helixtrans-69.2-25.8-167-84.1-87.9000113.9L31 S159 R160 L161 S166 I167 I168 C216 A218 L273L31-F164 HydrophobicContact CD1-CB 3.97Å; L31-F164 HydrophobicContact CD2-CB 3.64Å; L31-F164 HydrophobicContact CG-CB 4.3Å; S159-F164 WeakPolarHBondContact O-CE2 3.41Å; R160-F164 WeakPolarHBondContact O-CD2 3.47Å; L161-F164 WeakPolarHBondContact O-CB 3.4Å; L161-F164 PolarHBondContact O-N 3.27Å; F164-S166 VanDerWaalsContact C-N 3.35Å; F164-I167 HydrophobicContact CD1-CD1 4.29Å; F164-I167 HydrophobicContact CE1-CD1 4.46Å; F164-I167 HydrophobicContact CG-CD1 4.35Å; F164-I167 PolarHBondContact O-N 3.22Å; F164-I168 WeakPolarHBondContact O-CG1 3.43Å; F164-I168 WeakPolarHBondContact O-CG2 3.45Å; F164-I168 PolarHBondContact O-N 3Å; F164-C216 HydrophobicContact CD2-CB 3.75Å; F164-C216 HydrophobicContact CE1-CB 4.34Å; F164-C216 VanDerWaalsContact CE1-SG 3.53Å; F164-C216 HydrophobicContact CE2-CB 3.55Å; F164-C216 WeakPolarHBondContact CE2-O 3.4Å; F164-C216 HydrophobicContact CG-CB 4.22Å; F164-C216 HydrophobicContact CZ-CB 3.88Å; F164-C216 WeakPolarHBondContact CZ-O 3.04Å; F164-A218 HydrophobicContact CE1-CB 3.87Å; F164-L273 HydrophobicContact CD1-CD2 3.76Å; F164-L273 HydrophobicContact CE1-CD2 3.71Å
165H96.9Very high91.5Very high2 Ų228.4 Ų28.41%0.00915%0.147CC..Hα-helixtrans-56.7-50168.3178.469.6000110.9L31 F32 A35 P47 N163 I168 H169L31-H165 HydrophobicContact CB-CB 4.48Å; F32-H165 AromaticContact CD2-CE1 3.72Å; A35-H165 HydrophobicContact CB-CB 3.7Å; P47-H165 PolarHBondContact O-NE2 3.44Å; N163-H165 VanDerWaalsContact C-N 3.31Å; N163-H165 PolarHBondContact O-N 3.48Å; H165-I168 WeakPolarHBondContact O-CG1 3.26Å; H165-H169 AromaticContact CE1-CD2 3.67Å; H165-H169 AromaticContact CE1-NE2 3.71Å; H165-H169 AromaticContact ND1-CD2 3.79Å; H165-H169 AromaticContact ND1-NE2 3.98Å; H165-H169 PolarHBondContact O-CD2 2.89Å; H165-H169 PolarHBondContact O-N 2.81Å
166S95.6Very high90.1Very high15 Ų1534.7 Ų34.711%0.10518%0.18CC..Hα-helixtrans-66.6-41.3176.7-172.70000112.5L44 R46 N163 F164 I168 H169 N170L44-S166 WeakPolarHBondContact O-CB 3.38Å; R46-S166 VanDerWaalsContact O-CA 3.27Å; R46-S166 WeakPolarHBondContact O-CA 3.23Å; N163-S166 PolarHBondContact O-N 3.31Å; F164-S166 VanDerWaalsContact C-N 3.35Å; S166-I168 PolarHBondContact O-N 3.21Å; S166-H169 PolarHBondContact O-N 3.41Å; S166-N170 WeakPolarHBondContact O-CB 3.36Å; S166-N170 PolarHBondContact O-N 3.49Å; S166-N170 PolarHBondContact O-ND2 3.22Å; S166-N170 PolarHBondContact OG-ND2 3.05Å
167I95.9Very high88.5Confident13 Ų1337.1 Ų37.17%0.06719%0.194CC..Hα-helixtrans-60.8-45.6-177.4-66.9169.2000111.6N163 F164 H169 G171 L172 V270N163-I167 HydrophobicContact CB-CD1 3.85Å; N163-I167 HydrophobicContact CB-CG1 4.44Å; N163-I167 WeakPolarHBondContact O-CG1 3.21Å; N163-I167 PolarHBondContact O-N 3.04Å; F164-I167 HydrophobicContact CD1-CD1 4.29Å; F164-I167 HydrophobicContact CE1-CD1 4.46Å; F164-I167 HydrophobicContact CG-CD1 4.35Å; F164-I167 PolarHBondContact O-N 3.22Å; I167-H169 VanDerWaalsContact C-N 3.29Å; I167-H169 PolarHBondContact O-N 3.34Å; I167-G171 CarbonylContact O-C 3.5Å; I167-G171 WeakPolarHBondContact O-CA 3.33Å; I167-G171 PolarHBondContact O-N 3.28Å; I167-L172 HydrophobicContact CB-CD2 4.39Å; I167-L172 HydrophobicContact CD1-CD2 3.89Å; I167-L172 HydrophobicContact CG1-CD2 3.87Å; I167-L172 HydrophobicContact CG2-CD2 3.67Å; I167-L172 HydrophobicContact CG2-CG 4.07Å; I167-V270 HydrophobicContact CG2-CG2 3.8Å
168I96Very high86.6Confident7 Ų743 Ų434%0.03622%0.219CC..Hα-helixtrans-70.2-28.6-178.266.7-180000112.4L31 F100 L133 F164 H165 S166 L273L31-I168 HydrophobicContact CD1-CD1 3.93Å; L31-I168 HydrophobicContact CD1-CG2 4.5Å; F100-I168 VanDerWaalsContact CD1-O 3.31Å; F100-I168 WeakPolarHBondContact CD1-O 3.13Å; F100-I168 HydrophobicContact CE1-CB 4.36Å; F100-I168 HydrophobicContact CE1-CG1 4.16Å; F100-I168 WeakPolarHBondContact CE1-O 3.18Å; F100-I168 HydrophobicContact CE2-CB 4.42Å; F100-I168 HydrophobicContact CE2-CD1 3.92Å; F100-I168 HydrophobicContact CE2-CG1 4.25Å; F100-I168 HydrophobicContact CZ-CB 4.05Å; F100-I168 HydrophobicContact CZ-CD1 3.61Å; F100-I168 HydrophobicContact CZ-CG1 3.62Å; L133-I168 HydrophobicContact CD2-CB 4.1Å; L133-I168 HydrophobicContact CD2-CG2 4.03Å; F164-I168 WeakPolarHBondContact O-CG1 3.43Å; F164-I168 WeakPolarHBondContact O-CG2 3.45Å; F164-I168 PolarHBondContact O-N 3Å; H165-I168 WeakPolarHBondContact O-CG1 3.26Å; S166-I168 PolarHBondContact O-N 3.21Å; I168-L273 HydrophobicContact CG2-CD1 3.98Å
169H94.9Very high84.8Confident38 Ų3850.2 Ų50.218%0.17625%0.254CS..Hα-helixtrans-89.1-38.4-178-79.8-82.5000113.9P47 S97 F100 H165 S166 I167P47-H169 HydrophobicContact CG-CB 4.22Å; S97-H169 PolarHBondContact OG-CE1 3.12Å; F100-H169 HydrophobicContact CE1-CB 4.41Å; F100-H169 AromaticContact CE1-CE1 3.66Å; F100-H169 AromaticContact CE1-CG 3.74Å; F100-H169 AromaticContact CE1-ND1 3.46Å; F100-H169 WeakPolarHBondContact CE1-ND1 3.3Å; F100-H169 AromaticContact CZ-CD2 3.95Å; F100-H169 AromaticContact CZ-CE1 3.64Å; F100-H169 AromaticContact CZ-ND1 3.89Å; F100-H169 AromaticContact CZ-NE2 3.66Å; H165-H169 AromaticContact CE1-CD2 3.67Å; H165-H169 AromaticContact CE1-NE2 3.71Å; H165-H169 AromaticContact ND1-CD2 3.79Å; H165-H169 AromaticContact ND1-NE2 3.98Å; H165-H169 PolarHBondContact O-CD2 2.89Å; H165-H169 PolarHBondContact O-N 2.81Å; S166-H169 PolarHBondContact O-N 3.41Å; I167-H169 VanDerWaalsContact C-N 3.29Å; I167-H169 PolarHBondContact O-N 3.34Å
170N92.9Very high83.5Confident68 Ų6851.3 Ų51.336%0.36426%0.262SS..Hα-helixtrans-113.4-6.3-171.6-48.6-49.5000113R46 S166 H173R46-N170 PolarHBondContact O-ND2 2.87Å; S166-N170 WeakPolarHBondContact O-CB 3.36Å; S166-N170 PolarHBondContact O-N 3.49Å; S166-N170 PolarHBondContact O-ND2 3.22Å; S166-N170 PolarHBondContact OG-ND2 3.05Å; N170-H173 VanDerWaalsContact CB-NE2 3.27Å; N170-H173 WeakPolarHBondContact CB-NE2 3.49Å; N170-H173 PolarHBondContact O-CE1 2.9Å
171G92.3Very high82.6Confident30 Ų3050.7 Ų50.731%0.30927%0.269SS..  trans79.9-179.1-172.900000113I167 H173I167-G171 CarbonylContact O-C 3.5Å; I167-G171 WeakPolarHBondContact O-CA 3.33Å; I167-G171 PolarHBondContact O-N 3.28Å; G171-H173 PolarHBondContact O-N 2.75Å
172L89.3Confident81.8Confident11 Ų1153 Ų536%0.05828%0.28CS..  trans-81.4113.6172.6-67.1170.2000109H157 I167 C174 T186 L188 C220 N265 L268 V270H157-L172 HydrophobicContact CB-CD1 4.03Å; H157-L172 WeakPolarHBondContact CD2-CD2 3.44Å; H157-L172 WeakPolarHBondContact NE2-CD2 3.43Å; I167-L172 HydrophobicContact CB-CD2 4.39Å; I167-L172 HydrophobicContact CD1-CD2 3.89Å; I167-L172 HydrophobicContact CG1-CD2 3.87Å; I167-L172 HydrophobicContact CG2-CD2 3.67Å; I167-L172 HydrophobicContact CG2-CG 4.07Å; L172-C174 PolarHBondContact O-N 3.01Å; L172-T186 HydrophobicContact CB-CG2 3.77Å; L172-T186 HydrophobicContact CD1-CG2 3.75Å; L172-T186 HydrophobicContact CG-CG2 4.29Å; L172-L188 HydrophobicContact CD1-CD2 4.27Å; L172-C220 VanDerWaalsContact CD1-SG 3.55Å; L172-N265 VanDerWaalsContact O-CG 3.25Å; L172-N265 PolarHBondContact O-OD1 2.8Å; L172-L268 HydrophobicContact CB-CD1 4.21Å; L172-L268 HydrophobicContact CD1-CD1 3.76Å; L172-L268 HydrophobicContact CG-CD1 4.38Å; L172-V270 HydrophobicContact CD1-CG2 4.24Å; L172-V270 HydrophobicContact CG-CG2 4.26Å
173H78.6Confident80.9Confident75 Ų7552.5 Ų52.535%0.34728%0.277SS..  trans-86.9106-179.5-66.8-46.7000111.8N170 G171 H175 L176N170-H173 VanDerWaalsContact CB-NE2 3.27Å; N170-H173 WeakPolarHBondContact CB-NE2 3.49Å; N170-H173 PolarHBondContact O-CE1 2.9Å; G171-H173 PolarHBondContact O-N 2.75Å; H173-H175 PolarHBondContact O-N 3.44Å; H173-H175 VanDerWaalsContact O-N 3.14Å; H173-L176 HydrophobicContact CB-CD1 3.83Å; H173-L176 HydrophobicContact CB-CG 3.9Å; H173-L176 PolarHBondContact O-N 3.4Å; H173-L176 VanDerWaalsContact O-N 3.12Å
174C70.8Confident80.3Confident6 Ų654.7 Ų54.74%0.04129%0.286CS..G310 helixtrans-52.1-36177.9600000114.2L172 L176 N177 T263 N265L172-C174 PolarHBondContact O-N 3.01Å; C174-L176 VanDerWaalsContact C-N 3.28Å; C174-L176 PolarHBondContact O-N 3.22Å; C174-N177 PolarHBondContact O-N 3.39Å; C174-T263 PolarHBondContact SG-O 2.93Å; C174-N265 WeakPolarHBondContact CB-OD1 3.27Å; C174-N265 PolarHBondContact N-OD1 3.05Å; C174-N265 VanDerWaalsContact SG-CG 3.55Å; C174-N265 PolarHBondContact SG-ND2 3Å; C174-N265 PolarHBondContact SG-OD1 3.13Å
175H62.1Low79.8Confident126 Ų12654.7 Ų54.758%0.58329%0.287SS*.G310 helixtrans-76.1-7.8-176.5-58.5-57.4000115H173 N177 K178H173-H175 PolarHBondContact O-N 3.44Å; H173-H175 VanDerWaalsContact O-N 3.14Å; H175-N177 VanDerWaalsContact C-N 3.29Å; H175-K178 WeakPolarHBondContact O-CE 3.41Å; H175-K178 VanDerWaalsContact O-CG 3.3Å; H175-K178 WeakPolarHBondContact O-CG 3.36Å
176L63.1Low79.5Confident133 Ų13354.7 Ų54.770%0.69629%0.287SS*.G310 helixtrans-82-11.5173.6-64.6179.4000112.1H173 C174H173-L176 HydrophobicContact CB-CD1 3.83Å; H173-L176 HydrophobicContact CB-CG 3.9Å; H173-L176 PolarHBondContact O-N 3.4Å; H173-L176 VanDerWaalsContact O-N 3.12Å; C174-L176 VanDerWaalsContact C-N 3.28Å; C174-L176 PolarHBondContact O-N 3.22Å
177N61.9Low79.3Confident57 Ų5755.7 Ų55.731%0.30529%0.288SS..  trans-104.656.5-177.8-59.8-26.5000111.5C174 H175 G185C174-N177 PolarHBondContact O-N 3.39Å; H175-N177 VanDerWaalsContact C-N 3.29Å; N177-G185 WeakPolarHBondContact CB-O 3.47Å; N177-G185 PolarHBondContact ND2-O 3.01Å
178K55.4Low79.2Confident145 Ų14555.2 Ų55.263%0.6329%0.286SS*.  trans-75.6-25-175.8-62.3-173178.4-177.70114H175H175-K178 WeakPolarHBondContact O-CE 3.41Å; H175-K178 VanDerWaalsContact O-CG 3.3Å; H175-K178 WeakPolarHBondContact O-CG 3.36Å
179N57.8Low79Confident163 Ų16355.1 Ų55.187%0.87229%0.286SS*.SBendtrans-107.279.7-176.7-63.70.2000109.4
180S68.1Low78.8Confident40 Ų4054.9 Ų54.928%0.2829%0.289SS..  trans-138.3139.9175.7-166.20000112.8F182 G183 Y187S180-F182 PolarHBondContact O-N 3.26Å; S180-F182 VanDerWaalsContact O-N 3.15Å; S180-G183 PolarHBondContact O-N 3.09Å; S180-G183 VanDerWaalsContact O-N 3.09Å; S180-Y187 VanDerWaalsContact CB-CZ 3.41Å; S180-Y187 WeakPolarHBondContact CB-OH 3.34Å; S180-Y187 WeakPolarHBondContact OG-CE1 3.31Å; S180-Y187 WeakPolarHBondContact OG-CE2 3.47Å; S180-Y187 PolarHBondContact OG-OH 3.2Å
181V76.4Confident78.6Confident86 Ų8652.5 Ų52.552%0.52128%0.276SS..THydrogen-bonded Turntrans-55.6-36.2-171.6175.60000111.9E251 G252V181-E251 PolarHBondContact O-N 3.28Å; V181-G252 WeakPolarHBondContact O-CA 3.47Å; V181-G252 PolarHBondContact O-N 2.86Å
182F78.7Confident78.5Confident50 Ų5051.4 Ų51.422%0.21926%0.263CS..THydrogen-bonded Turntrans-101.816.7-174.7-55.8-71000113.7S180 Y187 A247 S250 D254 V255 P256 I261S180-F182 PolarHBondContact O-N 3.26Å; S180-F182 VanDerWaalsContact O-N 3.15Å; F182-Y187 WeakPolarHBondContact CA-OH 3.48Å; F182-Y187 HydrophobicContact CB-CE1 4.07Å; F182-Y187 HydrophobicContact CD2-CE1 4.17Å; F182-Y187 PolarHBondContact N-OH 2.74Å; F182-A247 WeakPolarHBondContact O-CB 3.2Å; F182-S250 WeakPolarHBondContact CA-OG 3.48Å; F182-S250 WeakPolarHBondContact O-CB 3.5Å; F182-S250 PolarHBondContact O-OG 3.24Å; F182-D254 WeakPolarHBondContact CD1-O 3.41Å; F182-V255 HydrophobicContact CB-CG2 4.39Å; F182-P256 HydrophobicContact CD2-CG 4.5Å; F182-P256 HydrophobicContact CE1-CG 4.02Å; F182-P256 HydrophobicContact CE2-CG 3.86Å; F182-P256 HydrophobicContact CZ-CG 3.6Å; F182-I261 HydrophobicContact CB-CD1 3.62Å; F182-I261 VanDerWaalsContact O-CD1 3.3Å; F182-I261 WeakPolarHBondContact O-CD1 3.4Å
183G79.8Confident78.4Confident1 Ų153 Ų531%0.0128%0.275CS..  trans99.7-177.7177.600000114.7S180 Y187 K248S180-G183 PolarHBondContact O-N 3.09Å; S180-G183 VanDerWaalsContact O-N 3.09Å; G183-Y187 PolarHBondContact N-OH 3.23Å; G183-Y187 WeakPolarHBondContact O-CE2 3.49Å; G183-Y187 PolarHBondContact O-OH 2.91Å; G183-K248 VanDerWaalsContact CA-O 3.26Å; G183-K248 WeakPolarHBondContact CA-O 3.49Å
184E82.6Confident78.9Confident82 Ų8251.9 Ų51.938%0.38327%0.27SS..SBendtrans-80.4134.5-173.1-67.3174.7-14800112.5K248 N249E184-K248 PolarHBondContact N-O 3.13Å; E184-N249 PolarHBondContact OE1-ND2 3.33Å
185G86.9Confident79.9Confident1 Ų151.6 Ų51.61%0.0127%0.269CS..SBendtrans153.6-177.8172.600000114.6N177 Y187 V262N177-G185 WeakPolarHBondContact CB-O 3.47Å; N177-G185 PolarHBondContact ND2-O 3.01Å; G185-Y187 WeakPolarHBondContact O-CD2 3.29Å; G185-V262 WeakPolarHBondContact CA-O 3.42Å
186T90.6Very high81.4Confident1 Ų147.7 Ų47.71%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-82.6118.3172-62.30000109.5L172 L188 I261 V262 L268L172-T186 HydrophobicContact CB-CG2 3.77Å; L172-T186 HydrophobicContact CD1-CG2 3.75Å; L172-T186 HydrophobicContact CG-CG2 4.29Å; T186-L188 HydrophobicContact CG2-CD2 3.96Å; T186-L188 HydrophobicContact CG2-CG 4.24Å; T186-I261 WeakPolarHBondContact O-CA 3.43Å; T186-V262 PolarHBondContact N-O 3.06Å; T186-V262 PolarHBondContact O-N 3.24Å; T186-L268 HydrophobicContact CG2-CD2 4.14Å
187Y91.4Very high82.7Confident36 Ų3648 Ų4814%0.14126%0.255CS..EExtended strand (participates in β ladder)trans-84.8124179.5-76.7-103.8000110.6H157 S180 F182 G183 G185 I261H157-Y187 PolarHBondContact ND1-O 2.78Å; S180-Y187 VanDerWaalsContact CB-CZ 3.41Å; S180-Y187 WeakPolarHBondContact CB-OH 3.34Å; S180-Y187 WeakPolarHBondContact OG-CE1 3.31Å; S180-Y187 WeakPolarHBondContact OG-CE2 3.47Å; S180-Y187 PolarHBondContact OG-OH 3.2Å; F182-Y187 WeakPolarHBondContact CA-OH 3.48Å; F182-Y187 HydrophobicContact CB-CE1 4.07Å; F182-Y187 HydrophobicContact CD2-CE1 4.17Å; F182-Y187 PolarHBondContact N-OH 2.74Å; G183-Y187 PolarHBondContact N-OH 3.23Å; G183-Y187 WeakPolarHBondContact O-CE2 3.49Å; G183-Y187 PolarHBondContact O-OH 2.91Å; G185-Y187 WeakPolarHBondContact O-CD2 3.29Å; Y187-I261 HydrophobicContact CD1-CD1 4.34Å; Y187-I261 HydrophobicContact CD1-CG1 4.09Å; Y187-I261 HydrophobicContact CE1-CD1 3.56Å; Y187-I261 HydrophobicContact CE1-CG1 3.8Å; Y187-I261 HydrophobicContact CE2-CD1 4.38Å; Y187-I261 HydrophobicContact CE2-CG1 4.49Å; Y187-I261 HydrophobicContact CE2-CG2 4.48Å
188L93.6Very high84.2Confident3 Ų351.7 Ų51.72%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-128.7160.6177.7-52172.2000109.2A155 F156 H157 L172 T186 C220 I222 Y259 F260 V262A155-L188 HydrophobicContact CB-CB 3.79Å; F156-L188 CarbonylContact O-C 3.59Å; F156-L188 WeakPolarHBondContact O-CA 3.23Å; H157-L188 HydrophobicContact CB-CD2 3.59Å; L172-L188 HydrophobicContact CD1-CD2 4.27Å; T186-L188 HydrophobicContact CG2-CD2 3.96Å; T186-L188 HydrophobicContact CG2-CG 4.24Å; L188-C220 HydrophobicContact CD1-CB 4.45Å; L188-C220 HydrophobicContact CD2-CB 4.39Å; L188-I222 HydrophobicContact CD1-CD1 3.52Å; L188-I222 HydrophobicContact CD1-CG1 3.75Å; L188-Y259 CarbonylContact O-C 3.48Å; L188-Y259 WeakPolarHBondContact O-CA 3.27Å; L188-Y259 WeakPolarHBondContact O-CD1 3.5Å; L188-F260 HydrophobicContact CB-CB 4.26Å; L188-F260 PolarHBondContact N-O 3.49Å; L188-F260 PolarHBondContact O-N 3.19Å; L188-V262 HydrophobicContact CD1-CG2 3.65Å
189T92Very high86.1Confident6 Ų644.9 Ų44.94%0.03724%0.237CC..EExtended strand (participates in β ladder)trans-142.2146177.2-178.90000112.1A155 F156 D191 M194 A195 K258A155-T189 CarbonylContact C-O 3.54Å; F156-T189 HydrophobicContact CB-CG2 4.25Å; F156-T189 PolarHBondContact N-O 3.41Å; F156-T189 PolarHBondContact O-N 2.96Å; T189-D191 VanDerWaalsContact CG2-O 3.28Å; T189-D191 WeakPolarHBondContact CG2-O 3.29Å; T189-D191 PolarHBondContact O-N 3.23Å; T189-D191 PolarHBondContact OG1-N 3.42Å; T189-M194 HydrophobicContact CG2-CB 4.1Å; T189-A195 HydrophobicContact CG2-CB 3.88Å; T189-K258 CarbonylContact C-O 3.57Å; T189-K258 WeakPolarHBondContact CA-O 3.24Å; T189-K258 VanDerWaalsContact CB-O 3.31Å; T189-K258 WeakPolarHBondContact CB-O 3.07Å; T189-K258 PolarHBondContact OG1-O 3.48Å
190S90.4Very high87.9Confident33 Ų3340 Ų4023%0.23121%0.213CC..SBendtrans-73.1-16.6171.446.70000112.8N119 K258N119-S190 PolarHBondContact ND2-O 3Å; S190-K258 PolarHBondContact N-O 3.44Å; S190-K258 VanDerWaalsContact N-O 3.07Å
191D88.6Confident89.2Confident18 Ų1842.2 Ų42.210%0.09622%0.219CC..  trans-102.2109.9-174.7-170.3-24.6000111.5T189 S193 M194 A195 K258T189-D191 VanDerWaalsContact CG2-O 3.28Å; T189-D191 WeakPolarHBondContact CG2-O 3.29Å; T189-D191 PolarHBondContact O-N 3.23Å; T189-D191 PolarHBondContact OG1-N 3.42Å; D191-S193 PolarHBondContact O-N 3.12Å; D191-S193 WeakPolarHBondContact OD1-CA 3.29Å; D191-S193 WeakPolarHBondContact OD1-CB 3.41Å; D191-S193 PolarHBondContact OD1-N 2.88Å; D191-S193 PolarHBondContact OD1-OG 3.18Å; D191-S193 VanDerWaalsContact OD1-OG 3.09Å; D191-M194 HydrophobicContact CB-CB 4.4Å; D191-M194 HydrophobicContact CB-CG 3.93Å; D191-M194 HydrophobicContact CB-SD 4.3Å; D191-M194 WeakPolarHBondContact O-CB 3.15Å; D191-M194 PolarHBondContact O-N 3.36Å; D191-M194 VanDerWaalsContact O-N 3.08Å; D191-A195 PolarHBondContact O-N 2.82Å; D191-K258 HydrophobicContact CB-CD 4.04Å; D191-K258 IonicContact OD2-NZ 3.45Å; D191-K258 PolarHBondContact OD2-NZ 3.1Å
192L90.2Very high89.9Confident6 Ų638.8 Ų38.83%0.03120%0.199CC..Hα-helixtrans-58.9-32.8178.8177.151.9000112.2V124 F156 M194 A195 V196 V217 L274 Y276V124-L192 HydrophobicContact CG1-CB 3.58Å; V124-L192 HydrophobicContact CG1-CD2 3.29Å; V124-L192 HydrophobicContact CG1-CG 3.5Å; V124-L192 VanDerWaalsContact CG1-CG 3.5Å; F156-L192 HydrophobicContact CD1-CB 4.39Å; F156-L192 HydrophobicContact CD1-CD1 3.77Å; F156-L192 HydrophobicContact CD2-CB 3.94Å; F156-L192 HydrophobicContact CE1-CB 4.15Å; F156-L192 HydrophobicContact CE1-CD1 3.92Å; F156-L192 HydrophobicContact CE1-CD2 4.14Å; F156-L192 HydrophobicContact CE1-CG 4.3Å; F156-L192 HydrophobicContact CE2-CB 3.71Å; F156-L192 HydrophobicContact CG-CB 4.28Å; F156-L192 HydrophobicContact CG-CD1 4.17Å; F156-L192 HydrophobicContact CZ-CB 3.81Å; F156-L192 HydrophobicContact CZ-CD1 4.45Å; F156-L192 HydrophobicContact CZ-CD2 4.22Å; F156-L192 HydrophobicContact CZ-CG 4.38Å; L192-M194 PolarHBondContact O-N 3.04Å; L192-A195 HydrophobicContact CD1-CB 4.48Å; L192-A195 PolarHBondContact O-N 3.15Å; L192-A195 VanDerWaalsContact O-N 3.15Å; L192-V196 HydrophobicContact CD1-CG2 3.96Å; L192-V196 HydrophobicContact CG-CG2 4.33Å; L192-V196 WeakPolarHBondContact O-CG2 3.4Å; L192-V196 PolarHBondContact O-N 2.95Å; L192-V217 HydrophobicContact CD1-CB 4.28Å; L192-V217 HydrophobicContact CD1-CG1 3.82Å; L192-V217 HydrophobicContact CD1-CG2 4.24Å; L192-L274 HydrophobicContact CD1-CD2 4.26Å; L192-L274 HydrophobicContact CD2-CD2 3.68Å; L192-Y276 WeakPolarHBondContact CD2-OH 3.42Å
193S88.4Confident90.4Very high46 Ų4640.2 Ų40.232%0.32222%0.216SC..Hα-helixtrans-62.2-34.2179-43.90000111.5D191D191-S193 PolarHBondContact O-N 3.12Å; D191-S193 WeakPolarHBondContact OD1-CA 3.29Å; D191-S193 WeakPolarHBondContact OD1-CB 3.41Å; D191-S193 PolarHBondContact OD1-N 2.88Å; D191-S193 PolarHBondContact OD1-OG 3.18Å; D191-S193 VanDerWaalsContact OD1-OG 3.09Å
194M88.6Confident90.8Very high50 Ų5040.4 Ų40.425%0.24622%0.217CC..Hα-helixtrans-73.2-42.8175.1-59.7-166.785.500111.4T189 D191 L192 V196 L197 Y198 K258 Y259T189-M194 HydrophobicContact CG2-CB 4.1Å; D191-M194 HydrophobicContact CB-CB 4.4Å; D191-M194 HydrophobicContact CB-CG 3.93Å; D191-M194 HydrophobicContact CB-SD 4.3Å; D191-M194 WeakPolarHBondContact O-CB 3.15Å; D191-M194 PolarHBondContact O-N 3.36Å; D191-M194 VanDerWaalsContact O-N 3.08Å; L192-M194 PolarHBondContact O-N 3.04Å; M194-V196 VanDerWaalsContact C-N 3.31Å; M194-V196 PolarHBondContact O-N 3.45Å; M194-L197 WeakPolarHBondContact O-CB 3.42Å; M194-L197 PolarHBondContact O-N 3.45Å; M194-Y198 VanDerWaalsContact O-CD2 3.29Å; M194-Y198 WeakPolarHBondContact O-CD2 3.28Å; M194-K258 HydrophobicContact SD-CB 4.32Å; M194-K258 HydrophobicContact SD-CD 4.3Å; M194-Y259 HydrophobicContact CE-CE2 3.57Å; M194-Y259 WeakPolarHBondContact CE-OH 3.34Å; M194-Y259 HydrophobicContact SD-CE2 4Å
195A92.3Very high91.4Very high1 Ų136.8 Ų36.81%0.00820%0.2CC..Hα-helixtrans-61.7-38.4178.400000112.3F156 G158 T189 D191 L192 L197 Y198 S199 V217F156-A195 HydrophobicContact CB-CB 3.52Å; F156-A195 HydrophobicContact CG-CB 4.44Å; G158-A195 WeakPolarHBondContact CA-O 3.32Å; T189-A195 HydrophobicContact CG2-CB 3.88Å; D191-A195 PolarHBondContact O-N 2.82Å; L192-A195 HydrophobicContact CD1-CB 4.48Å; L192-A195 PolarHBondContact O-N 3.15Å; L192-A195 VanDerWaalsContact O-N 3.15Å; A195-L197 PolarHBondContact O-N 3.08Å; A195-Y198 PolarHBondContact O-N 2.86Å; A195-S199 PolarHBondContact O-N 3.22Å; A195-V217 HydrophobicContact CB-CG1 3.84Å
196V91.8Very high91.8Very high43 Ų4346.5 Ų46.526%0.26124%0.236SC..Hα-helixtrans-59.9-32.2177.71700000112.4P125 L192 M194 Y198 S199 V217 Y276P125-V196 HydrophobicContact CG-CG2 4.05Å; L192-V196 HydrophobicContact CD1-CG2 3.96Å; L192-V196 HydrophobicContact CG-CG2 4.33Å; L192-V196 WeakPolarHBondContact O-CG2 3.4Å; L192-V196 PolarHBondContact O-N 2.95Å; M194-V196 VanDerWaalsContact C-N 3.31Å; M194-V196 PolarHBondContact O-N 3.45Å; V196-Y198 PolarHBondContact O-N 3.46Å; V196-S199 CarbonylContact O-C 3.49Å; V196-S199 PolarHBondContact O-N 3.42Å; V196-V217 HydrophobicContact CG2-CG2 4.1Å; V196-Y276 HydrophobicContact CG2-CE2 4.36Å
197L91.6Very high92Very high140 Ų14050.8 Ų50.873%0.73326%0.256SS*.Hα-helixtrans-62.7-27.6176.5-60.7174.8000112.7M194 A195M194-L197 WeakPolarHBondContact O-CB 3.42Å; M194-L197 PolarHBondContact O-N 3.45Å; A195-L197 PolarHBondContact O-N 3.08Å
198Y92.8Very high92.2Very high135 Ų13549.6 Ų49.653%0.52925%0.254SS..THydrogen-bonded Turntrans-91.4-1176-62-79.2000113.2S159 M194 A195 V196 P200S159-Y198 CarbonylContact C-O 3.59Å; S159-Y198 VanDerWaalsContact C-O 3.27Å; S159-Y198 WeakPolarHBondContact CA-O 3.47Å; S159-Y198 PolarHBondContact N-O 3.11Å; M194-Y198 VanDerWaalsContact O-CD2 3.29Å; M194-Y198 WeakPolarHBondContact O-CD2 3.28Å; A195-Y198 PolarHBondContact O-N 2.86Å; V196-Y198 PolarHBondContact O-N 3.46Å; Y198-P200 VanDerWaalsContact O-CD 3.23Å; Y198-P200 WeakPolarHBondContact O-CD 3.2Å
199S95.8Very high92.2Very high2 Ų252.1 Ų52.11%0.01427%0.266CS..  trans-117.368.4-179.7-69.30000111.4G158 S159 A195 V196 S215 C216 V217G158-S199 WeakPolarHBondContact CA-OG 3.46Å; S159-S199 PolarHBondContact N-OG 3.28Å; S159-S199 WeakPolarHBondContact O-CA 3.46Å; S159-S199 PolarHBondContact O-OG 3.24Å; A195-S199 PolarHBondContact O-N 3.22Å; V196-S199 CarbonylContact O-C 3.49Å; V196-S199 PolarHBondContact O-N 3.42Å; S199-S215 WeakPolarHBondContact CB-OG 3.46Å; S199-S215 WeakPolarHBondContact O-CB 3.31Å; S199-S215 PolarHBondContact O-OG 2.99Å; S199-C216 VanDerWaalsContact CB-O 3.23Å; S199-C216 WeakPolarHBondContact CB-O 3.42Å; S199-C216 PolarHBondContact OG-O 3.46Å; S199-V217 WeakPolarHBondContact OG-CG2 3.35Å
200P95.4Very high92.4Very high59 Ų5951.9 Ų51.938%0.38327%0.265SS..  trans-63.4155.4175.430.3-36000110.9R160 Y198 S202R160-P200 HydrophobicContact CG-CG 3.97Å; Y198-P200 VanDerWaalsContact O-CD 3.23Å; Y198-P200 WeakPolarHBondContact O-CD 3.2Å; P200-S202 PolarHBondContact O-N 3.38Å
201H94.6Very high92.6Very high87 Ų8750.9 Ų50.940%0.40326%0.26SS..  trans-67.1126.4169.4-69.484.8000109.3L214H201-L214 WeakPolarHBondContact CA-O 3.21Å
202S91.8Very high92.8Very high15 Ų1553.1 Ų53.111%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-117.5154.9173.8-710000109.5E162 P200 G204 Q213 L214E162-S202 PolarHBondContact OE2-OG 3.45Å; P200-S202 PolarHBondContact O-N 3.38Å; S202-G204 PolarHBondContact O-N 3.49Å; S202-Q213 WeakPolarHBondContact O-CA 3.42Å; S202-L214 PolarHBondContact N-O 2.9Å; S202-L214 PolarHBondContact O-N 3.44Å
203S89.9Confident93Very high80 Ų8056.7 Ų56.756%0.55929%0.292SS*.EExtended strand (participates in β ladder)trans-61.2123.8167-58.70000109.4
204G88.4Confident93.4Very high5 Ų554.5 Ų54.55%0.05228%0.277CS..  trans-105-141.4171.800000110.4S202 P212S202-G204 PolarHBondContact O-N 3.49Å; G204-P212 PolarHBondContact N-O 3.45Å
205W95.4Very high93.8Very high6 Ų652.2 Ų52.22%0.02327%0.265CS..  trans-83123.3176.7178.936.6000111.5D26 C29 V33 L70 P71 G72 V73 L76 E207 S208D26-W205 VanDerWaalsContact OD2-CZ3 3.31Å; D26-W205 WeakPolarHBondContact OD2-CZ3 3.34Å; C29-W205 HydrophobicContact CB-CE3 3.85Å; C29-W205 HydrophobicContact CB-CH2 4.19Å; C29-W205 HydrophobicContact CB-CZ3 3.65Å; V33-W205 HydrophobicContact CB-CB 3.97Å; V33-W205 HydrophobicContact CB-CG 4.49Å; V33-W205 HydrophobicContact CG1-CB 3.97Å; V33-W205 HydrophobicContact CG1-CG 4.46Å; V33-W205 HydrophobicContact CG2-CB 4.08Å; V33-W205 HydrophobicContact CG2-CG 4.1Å; L70-W205 HydrophobicContact CD2-CZ2 3.95Å; L70-W205 HydrophobicContact CG-CZ2 3.88Å; L70-W205 PolarHBondContact O-NE1 3.05Å; L70-W205 VanDerWaalsContact O-NE1 3.1Å; P71-W205 WeakPolarHBondContact O-CZ2 3.49Å; G72-W205 VanDerWaalsContact CA-CZ2 3.49Å; V73-W205 HydrophobicContact CG2-CH2 4Å; V73-W205 HydrophobicContact CG2-CZ3 3.89Å; L76-W205 HydrophobicContact CD1-CH2 4.38Å; W205-E207 VanDerWaalsContact C-N 3.27Å; W205-E207 HydrophobicContact CZ2-CB 4.37Å; W205-E207 PolarHBondContact O-N 3.07Å; W205-S208 WeakPolarHBondContact O-CB 3.42Å; W205-S208 PolarHBondContact O-N 2.92Å
206R93.5Very high94.1Very high204 Ų20452.2 Ų52.277%0.7727%0.265SS*.THydrogen-bonded Turntrans-58.1-38.4-175.5-175.3-179.9175.9173.7-2.2113.2S208R206-S208 VanDerWaalsContact C-N 3.27Å; R206-S208 PolarHBondContact O-N 2.79Å
207E94.7Very high94.3Very high91 Ų9150.1 Ų50.143%0.42525%0.253SS..THydrogen-bonded Turntrans-90.110.5-178.3-53.9-53.3134.900112.9W205W205-E207 VanDerWaalsContact C-N 3.27Å; W205-E207 HydrophobicContact CZ2-CB 4.37Å; W205-E207 PolarHBondContact O-N 3.07Å
208S95.9Very high94.6Very high12 Ų1243.5 Ų43.58%0.08422%0.218CC..  trans-63.9135.7179.3171.40000112D26 S30 W205 R206 L210 G211D26-S208 WeakPolarHBondContact OD1-CB 3.41Å; D26-S208 PolarHBondContact OD1-OG 3.1Å; D26-S208 WeakPolarHBondContact OD2-CA 3.24Å; S30-S208 WeakPolarHBondContact OG-CB 3.38Å; S30-S208 PolarHBondContact OG-OG 2.86Å; W205-S208 WeakPolarHBondContact O-CB 3.42Å; W205-S208 PolarHBondContact O-N 2.92Å; R206-S208 VanDerWaalsContact C-N 3.27Å; R206-S208 PolarHBondContact O-N 2.79Å; S208-L210 PolarHBondContact O-N 3.43Å; S208-L210 WeakPolarHBondContact OG-CA 3.08Å; S208-L210 VanDerWaalsContact OG-CB 3.28Å; S208-L210 WeakPolarHBondContact OG-CB 3.35Å; S208-L210 PolarHBondContact OG-N 2.99Å; S208-G211 PolarHBondContact O-N 3.34Å; S208-G211 VanDerWaalsContact O-N 3.13Å; S208-G211 PolarHBondContact OG-N 3.42Å
209I95Very high94.8Very high55 Ų5537.1 Ų37.128%0.28219%0.193SC..THydrogen-bonded Turntrans-70-18.3169.873.1-176000112.6P22 V23 D26 G211P22-I209 HydrophobicContact CB-CD1 4.42Å; V23-I209 HydrophobicContact CB-CD1 4.46Å; V23-I209 HydrophobicContact CG2-CD1 3.96Å; D26-I209 HydrophobicContact CB-CD1 3.98Å; D26-I209 HydrophobicContact CB-CG1 3.76Å; D26-I209 PolarHBondContact OD2-N 3.45Å; I209-G211 VanDerWaalsContact C-N 3.29Å
210L95.2Very high94.8Very high1 Ų137 Ų371%0.00519%0.192CC..THydrogen-bonded Turntrans-76.7-22173.3-49.9178.4000111.4V23 D26 L27 F129 F131 S208 L214 S277V23-L210 HydrophobicContact CG1-CD2 3.61Å; D26-L210 WeakPolarHBondContact OD1-CG 3.31Å; L27-L210 HydrophobicContact CB-CD1 3.88Å; L27-L210 HydrophobicContact CD1-CD1 3.93Å; F129-L210 HydrophobicContact CD1-CD2 3.65Å; F129-L210 HydrophobicContact CD2-CB 4.37Å; F129-L210 HydrophobicContact CD2-CD2 3.85Å; F129-L210 HydrophobicContact CE1-CD2 3.54Å; F129-L210 HydrophobicContact CE2-CB 3.89Å; F129-L210 HydrophobicContact CE2-CD2 3.76Å; F129-L210 HydrophobicContact CE2-CG 4.44Å; F129-L210 HydrophobicContact CG-CD2 3.78Å; F129-L210 HydrophobicContact CZ-CB 4.19Å; F129-L210 HydrophobicContact CZ-CD2 3.56Å; F129-L210 HydrophobicContact CZ-CG 4.49Å; F131-L210 HydrophobicContact CZ-CD1 4.29Å; F131-L210 HydrophobicContact CZ-CD2 4.15Å; S208-L210 PolarHBondContact O-N 3.43Å; S208-L210 WeakPolarHBondContact OG-CA 3.08Å; S208-L210 VanDerWaalsContact OG-CB 3.28Å; S208-L210 WeakPolarHBondContact OG-CB 3.35Å; S208-L210 PolarHBondContact OG-N 2.99Å; L210-L214 HydrophobicContact CB-CD1 4.11Å; L210-L214 HydrophobicContact CB-CD2 3.77Å; L210-L214 HydrophobicContact CD1-CD1 4.21Å; L210-S277 WeakPolarHBondContact O-CB 3.45Å; L210-S277 PolarHBondContact O-OG 3.02Å
211G94.1Very high94.8Very high12 Ų1235 Ų3512%0.12418%0.178CC..  trans110.2158.3-177.600000112.2S208 I209 Q213S208-G211 PolarHBondContact O-N 3.34Å; S208-G211 VanDerWaalsContact O-N 3.13Å; S208-G211 PolarHBondContact OG-N 3.42Å; I209-G211 VanDerWaalsContact C-N 3.29Å; G211-Q213 VanDerWaalsContact C-N 3.27Å; G211-Q213 PolarHBondContact O-N 3.26Å
212P93.2Very high94.9Very high65 Ų6530.8 Ų30.842%0.42216%0.159SC..SBendtrans-75.6-13.1-170.431.1-37.9000114.2G204G204-P212 PolarHBondContact N-O 3.45Å
213Q95.1Very high95Very high81 Ų8130.1 Ų30.138%0.37915%0.154SC..EExtended strand (participates in β ladder)trans-131.2114.6-178.1-72.6-179.3-3900109.5S202 G211 Q278S202-Q213 WeakPolarHBondContact O-CA 3.42Å; G211-Q213 VanDerWaalsContact C-N 3.27Å; G211-Q213 PolarHBondContact O-N 3.26Å; Q213-Q278 HydrophobicContact CB-CB 3.97Å; Q213-Q278 PolarHBondContact O-N 2.87Å; Q213-Q278 VanDerWaalsContact O-N 3.16Å
214L96.9Very high95.1Very high0 Ų029 Ų290%014%0.141CC..EExtended strand (participates in β ladder)trans-125143.5-172.9-55.3174.7000110.5L161 H201 S202 L210 V275 Y276L161-L214 HydrophobicContact CD1-CB 3.89Å; L161-L214 HydrophobicContact CD2-CB 3.84Å; H201-L214 WeakPolarHBondContact CA-O 3.21Å; S202-L214 PolarHBondContact N-O 2.9Å; S202-L214 PolarHBondContact O-N 3.44Å; L210-L214 HydrophobicContact CB-CD1 4.11Å; L210-L214 HydrophobicContact CB-CD2 3.77Å; L210-L214 HydrophobicContact CD1-CD1 4.21Å; L214-V275 HydrophobicContact CB-CG1 4.34Å; L214-V275 HydrophobicContact CD1-CG1 4.48Å; L214-V275 HydrophobicContact CD2-CG1 4.06Å; L214-Y276 WeakPolarHBondContact CA-O 3.3Å
215S96.8Very high95.2Very high2 Ų230.3 Ų30.31%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-112.81441611630000108.2S199 V275 Y276S199-S215 WeakPolarHBondContact CB-OG 3.46Å; S199-S215 WeakPolarHBondContact O-CB 3.31Å; S199-S215 PolarHBondContact O-OG 2.99Å; S215-V275 WeakPolarHBondContact O-CA 3.22Å; S215-Y276 PolarHBondContact N-O 3.44Å; S215-Y276 PolarHBondContact O-N 2.83Å
216C97.6Very high94.8Very high1 Ų133.4 Ų33.41%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-135.4134.5-176.4-172.40000110.5L161 F164 S199 L274L161-C216 HydrophobicContact CD1-CB 3.88Å; F164-C216 HydrophobicContact CD2-CB 3.75Å; F164-C216 HydrophobicContact CE1-CB 4.34Å; F164-C216 VanDerWaalsContact CE1-SG 3.53Å; F164-C216 HydrophobicContact CE2-CB 3.55Å; F164-C216 WeakPolarHBondContact CE2-O 3.4Å; F164-C216 HydrophobicContact CG-CB 4.22Å; F164-C216 HydrophobicContact CZ-CB 3.88Å; F164-C216 WeakPolarHBondContact CZ-O 3.04Å; S199-C216 VanDerWaalsContact CB-O 3.23Å; S199-C216 WeakPolarHBondContact CB-O 3.42Å; S199-C216 PolarHBondContact OG-O 3.46Å; C216-L274 CarbonylContact C-O 3.49Å; C216-L274 WeakPolarHBondContact CA-O 3.46Å
217V97.1Very high94.5Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-124.4132173.8178.10000108.2F156 L192 A195 V196 S199 L274 Y276F156-V217 HydrophobicContact CB-CG1 4.05Å; F156-V217 HydrophobicContact CD1-CG1 3.95Å; F156-V217 HydrophobicContact CG-CG1 4.42Å; L192-V217 HydrophobicContact CD1-CB 4.28Å; L192-V217 HydrophobicContact CD1-CG1 3.82Å; L192-V217 HydrophobicContact CD1-CG2 4.24Å; A195-V217 HydrophobicContact CB-CG1 3.84Å; V196-V217 HydrophobicContact CG2-CG2 4.1Å; S199-V217 WeakPolarHBondContact OG-CG2 3.35Å; V217-L274 HydrophobicContact CB-CB 4.34Å; V217-L274 PolarHBondContact N-O 3.44Å; V217-L274 PolarHBondContact O-N 3.39Å; V217-Y276 HydrophobicContact CG2-CE2 4.06Å
218A97.6Very high94.2Very high0 Ų022.2 Ų22.20%013%0.126CC..EExtended strand (participates in β ladder)trans-86.9139.2171.700000110.5F156 H157 F164 V270 Y272 L273F156-A218 CarbonylContact C-O 3.52Å; F156-A218 VanDerWaalsContact CA-O 3.28Å; F156-A218 WeakPolarHBondContact CA-O 3.33Å; H157-A218 HydrophobicContact CB-CB 4.21Å; H157-A218 PolarHBondContact N-O 2.99Å; H157-A218 PolarHBondContact O-N 3.13Å; F164-A218 HydrophobicContact CE1-CB 3.87Å; A218-V270 HydrophobicContact CB-CG1 3.8Å; A218-V270 HydrophobicContact CB-CG2 4.23Å; A218-Y272 WeakPolarHBondContact CA-O 3.39Å; A218-L273 HydrophobicContact CB-CD2 4.12Å
219L96.1Very high93.9Very high1 Ų123.5 Ų23.51%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-104119.1161.8-175.760.8000108.4L113 T117 Y154 F156 K271 Y272 L274L113-L219 HydrophobicContact CD2-CD2 3.54Å; T117-L219 HydrophobicContact CG2-CD1 3.79Å; T117-L219 HydrophobicContact CG2-CD2 4.07Å; Y154-L219 HydrophobicContact CD1-CD2 4.25Å; Y154-L219 HydrophobicContact CD1-CG 4.11Å; F156-L219 HydrophobicContact CD1-CB 4.29Å; F156-L219 HydrophobicContact CD1-CD1 3.7Å; F156-L219 HydrophobicContact CD2-CD1 4.43Å; F156-L219 HydrophobicContact CE1-CB 4.34Å; F156-L219 HydrophobicContact CE1-CD1 3.66Å; F156-L219 HydrophobicContact CE1-CD2 4.46Å; F156-L219 HydrophobicContact CE1-CG 4.37Å; F156-L219 HydrophobicContact CE2-CD1 4.37Å; F156-L219 HydrophobicContact CG-CD1 4.11Å; F156-L219 HydrophobicContact CZ-CD1 4.01Å; L219-K271 PolarHBondContact O-N 2.86Å; L219-Y272 HydrophobicContact CB-CD2 4.28Å; L219-Y272 HydrophobicContact CD2-CD2 3.82Å; L219-Y272 HydrophobicContact CD2-CE2 4.44Å; L219-Y272 HydrophobicContact CG-CD2 4.26Å; L219-Y272 PolarHBondContact N-O 3.44Å; L219-Y272 PolarHBondContact O-N 3.21Å; L219-Y272 VanDerWaalsContact O-N 3.1Å; L219-L274 HydrophobicContact CB-CD1 4.08Å
220C96.6Very high93.5Very high0 Ų021 Ų210%012%0.117CC..EExtended strand (participates in β ladder)trans-100.7138.3-175.6-56.50000110.5Y154 A155 L172 L188 I222 L268 R269Y154-C220 VanDerWaalsContact CA-O 3.3Å; Y154-C220 WeakPolarHBondContact CA-O 3.19Å; A155-C220 PolarHBondContact N-O 3.36Å; A155-C220 VanDerWaalsContact N-O 3.13Å; A155-C220 PolarHBondContact O-N 3.27Å; L172-C220 VanDerWaalsContact CD1-SG 3.55Å; L188-C220 HydrophobicContact CD1-CB 4.45Å; L188-C220 HydrophobicContact CD2-CB 4.39Å; C220-I222 HydrophobicContact CB-CD1 4.37Å; C220-I222 HydrophobicContact CB-CG1 4.23Å; C220-L268 HydrophobicContact CB-CD1 4.16Å; C220-R269 CarbonylContact C-O 3.44Å; C220-R269 WeakPolarHBondContact CA-O 3.49Å
221E95.8Very high92.8Very high16 Ų1622.9 Ų22.98%0.07513%0.125CC..EExtended strand (participates in β ladder)trans-90.1124.7167.1-176.7178.4-140.100108.2F143 V152 Y154 L268 R269 K271F143-E221 HydrophobicContact CE1-CG 4.23Å; F143-E221 HydrophobicContact CZ-CG 4.08Å; V152-E221 HydrophobicContact CB-CG 4.19Å; V152-E221 HydrophobicContact CG1-CG 4.48Å; V152-E221 HydrophobicContact CG2-CG 4.44Å; Y154-E221 HydrophobicContact CD1-CB 4.26Å; Y154-E221 HydrophobicContact CE1-CB 3.78Å; Y154-E221 HydrophobicContact CE1-CG 4.07Å; Y154-E221 PolarHBondContact OH-OE1 3.29Å; E221-L268 CarbonylContact O-C 3.55Å; E221-L268 VanDerWaalsContact O-CA 3.28Å; E221-L268 WeakPolarHBondContact O-CA 3.43Å; E221-R269 HydrophobicContact CB-CG 4.28Å; E221-R269 PolarHBondContact N-O 3.46Å; E221-R269 PolarHBondContact O-N 2.99Å; E221-R269 IonicContact OE2-CZ 3.25Å; E221-R269 IonicContact OE2-NE 2.9Å; E221-R269 PolarHBondContact OE2-NE 3.48Å; E221-R269 IonicContact OE2-NH2 3.99Å; E221-R269 PolarHBondContact OE2-NH2 3.26Å; E221-K271 HydrophobicContact CB-CB 4.16Å
222I95.5Very high91.7Very high0 Ų025.6 Ų25.60%014%0.139CC..EExtended strand (participates in β ladder)trans-126.6132.7-169.8-53.6133.2000109.3V152 F153 A155 L188 C220 V228 V262 L267 L268V152-I222 CarbonylContact C-O 3.56Å; V152-I222 WeakPolarHBondContact CA-O 3.2Å; F153-I222 HydrophobicContact CD1-CB 4.34Å; F153-I222 HydrophobicContact CD2-CD1 4.1Å; F153-I222 HydrophobicContact CE1-CB 3.97Å; F153-I222 HydrophobicContact CE1-CG2 3.74Å; F153-I222 HydrophobicContact CE2-CB 4.22Å; F153-I222 HydrophobicContact CE2-CD1 3.68Å; F153-I222 HydrophobicContact CE2-CG2 4.4Å; F153-I222 HydrophobicContact CZ-CB 3.91Å; F153-I222 HydrophobicContact CZ-CD1 4.13Å; F153-I222 HydrophobicContact CZ-CG2 3.66Å; F153-I222 PolarHBondContact N-O 2.99Å; F153-I222 PolarHBondContact O-N 3.49Å; A155-I222 HydrophobicContact CB-CD1 3.5Å; L188-I222 HydrophobicContact CD1-CD1 3.52Å; L188-I222 HydrophobicContact CD1-CG1 3.75Å; C220-I222 HydrophobicContact CB-CD1 4.37Å; C220-I222 HydrophobicContact CB-CG1 4.23Å; I222-V228 HydrophobicContact CG2-CG1 4.48Å; I222-V228 HydrophobicContact CG2-CG2 3.96Å; I222-V262 HydrophobicContact CG2-CG2 4.14Å; I222-L267 CarbonylContact C-O 3.57Å; I222-L267 WeakPolarHBondContact CA-O 3.41Å; I222-L268 HydrophobicContact CG1-CB 4.02Å
223I95.4Very high90.4Very high0 Ų028.6 Ų28.60%015%0.146CC..EExtended strand (participates in β ladder)trans-75.6128.6172.8-62.5164.2000108.6F143 M146 R147 R150 V152 H225 L267F143-I223 HydrophobicContact CD2-CD1 4.17Å; F143-I223 HydrophobicContact CE1-CD1 4.45Å; F143-I223 HydrophobicContact CE1-CG1 4.22Å; F143-I223 HydrophobicContact CE2-CD1 3.83Å; F143-I223 HydrophobicContact CE2-CG1 3.98Å; F143-I223 HydrophobicContact CZ-CD1 3.99Å; F143-I223 HydrophobicContact CZ-CG1 3.69Å; M146-I223 HydrophobicContact CB-CD1 3.96Å; R147-I223 HydrophobicContact CB-CD1 3.99Å; R147-I223 HydrophobicContact CB-CG1 4.16Å; R147-I223 HydrophobicContact CG-CG1 4.36Å; R147-I223 HydrophobicContact CG-CG2 4.48Å; R150-I223 HydrophobicContact CB-CG2 4.17Å; V152-I223 HydrophobicContact CG1-CG1 4.32Å; I223-H225 HydrophobicContact CG2-CB 4.37Å; I223-H225 PolarHBondContact O-N 2.91Å; I223-L267 HydrophobicContact CB-CD2 4.37Å; I223-L267 HydrophobicContact CD1-CD2 4.44Å; I223-L267 PolarHBondContact N-O 3.05Å
224D92.1Very high88.8Confident57 Ų5730.1 Ų30.131%0.30515%0.151SC..  trans-7095.5174.5-168.615.7000110.7R150 E151 F153 R244R150-D224 WeakPolarHBondContact CD-O 3.43Å; E151-D224 WeakPolarHBondContact O-CB 3.29Å; E151-D224 PolarHBondContact O-N 2.97Å; F153-D224 HydrophobicContact CD1-CB 4.24Å; F153-D224 HydrophobicContact CE1-CB 4.35Å; D224-R244 IonicContact OD1-CZ 3.12Å; D224-R244 VanDerWaalsContact OD1-CZ 3.26Å; D224-R244 IonicContact OD1-NH1 2.76Å; D224-R244 PolarHBondContact OD1-NH1 3.09Å; D224-R244 IonicContact OD1-NH2 3.98Å; D224-R244 PolarHBondContact OD1-NH2 2.99Å; D224-R244 IonicContact OD2-NH1 3.92Å
225H90.7Very high87Confident33 Ų3337.6 Ų37.615%0.15318%0.184CC..  trans-131.8145.7-170.9-168.8-78.8000110.4R150 I223 D227 V228 R244 L267R150-H225 VanDerWaalsContact CZ-CD2 3.44Å; R150-H225 PolarHBondContact NH1-CD2 2.98Å; R150-H225 PolarHBondContact NH1-NE2 3.12Å; I223-H225 HydrophobicContact CG2-CB 4.37Å; I223-H225 PolarHBondContact O-N 2.91Å; H225-D227 IonicContact CE1-OD2 2.68Å; H225-D227 PolarHBondContact CE1-OD2 3.45Å; H225-D227 VanDerWaalsContact CE1-OD2 3.27Å; H225-D227 WeakPolarHBondContact ND1-CB 3.31Å; H225-D227 PolarHBondContact ND1-N 3.15Å; H225-D227 VanDerWaalsContact ND1-N 3.15Å; H225-D227 IonicContact ND1-OD2 3.16Å; H225-D227 PolarHBondContact ND1-OD2 3.32Å; H225-D227 PolarHBondContact O-N 3.3Å; H225-V228 HydrophobicContact CB-CG2 4.43Å; H225-V228 WeakPolarHBondContact O-CB 3.36Å; H225-V228 PolarHBondContact O-N 2.94Å; H225-R244 PolarHBondContact O-NH2 2.93Å; H225-L267 HydrophobicContact CB-CD1 3.8Å; H225-L267 HydrophobicContact CB-CD2 3.88Å; H225-L267 HydrophobicContact CB-CG 4.41Å
226P86.5Confident85.3Confident71 Ų7145.3 Ų45.346%0.46123%0.225SC..THydrogen-bonded Turntrans-55.1-19.8177.2-28.835.7000116.3V228 K229P226-V228 VanDerWaalsContact C-N 3.27Å; P226-K229 PolarHBondContact O-NZ 3.14Å
227D85.9Confident83.7Confident60 Ų6047.8 Ų47.832%0.32124%0.242SC..THydrogen-bonded Turntrans-80.6-7.5176.9-70.7-18.8000113.5H225 T263 L267H225-D227 IonicContact CE1-OD2 2.68Å; H225-D227 PolarHBondContact CE1-OD2 3.45Å; H225-D227 VanDerWaalsContact CE1-OD2 3.27Å; H225-D227 WeakPolarHBondContact ND1-CB 3.31Å; H225-D227 PolarHBondContact ND1-N 3.15Å; H225-D227 VanDerWaalsContact ND1-N 3.15Å; H225-D227 IonicContact ND1-OD2 3.16Å; H225-D227 PolarHBondContact ND1-OD2 3.32Å; H225-D227 PolarHBondContact O-N 3.3Å; D227-T263 PolarHBondContact O-N 2.87Å; D227-T263 PolarHBondContact O-OG1 3.28Å; D227-L267 HydrophobicContact CB-CD1 3.66Å
228V88.9Confident82.1Confident0 Ų054 Ų540%028%0.275CS..EExtended strand (participates in β ladder)trans-91.8117169.3-177.40000108F153 I222 H225 P226 R244 F260 I261 V262 L267F153-V228 HydrophobicContact CZ-CG1 4.1Å; I222-V228 HydrophobicContact CG2-CG1 4.48Å; I222-V228 HydrophobicContact CG2-CG2 3.96Å; H225-V228 HydrophobicContact CB-CG2 4.43Å; H225-V228 WeakPolarHBondContact O-CB 3.36Å; H225-V228 PolarHBondContact O-N 2.94Å; P226-V228 VanDerWaalsContact C-N 3.27Å; V228-R244 PolarHBondContact O-NE 3.47Å; V228-R244 PolarHBondContact O-NH2 3.36Å; V228-R244 VanDerWaalsContact O-NH2 3.12Å; V228-F260 HydrophobicContact CG1-CB 4.24Å; V228-I261 WeakPolarHBondContact CA-O 3.39Å; V228-V262 HydrophobicContact CG1-CG2 4.03Å; V228-V262 HydrophobicContact CG2-CG1 4.19Å; V228-V262 HydrophobicContact CG2-CG2 4.09Å; V228-L267 HydrophobicContact CG2-CD1 4.23Å
229K89.6Confident80.3Confident39 Ų3956.5 Ų56.517%0.1730%0.296CS..EExtended strand (participates in β ladder)trans-93.5128.1-177.8-51-57.7180-165.30110.2P226 R244 A247 V255 F260 I261P226-K229 PolarHBondContact O-NZ 3.14Å; K229-R244 CarbonylContact C-O 3.48Å; K229-R244 WeakPolarHBondContact CA-O 3.22Å; K229-R244 WeakPolarHBondContact CB-O 3.32Å; K229-A247 HydrophobicContact CB-CB 4.3Å; K229-A247 HydrophobicContact CG-CB 3.96Å; K229-V255 HydrophobicContact CB-CG2 4.12Å; K229-F260 CarbonylContact O-C 3.54Å; K229-F260 WeakPolarHBondContact O-CA 3.22Å; K229-I261 HydrophobicContact CB-CB 4.24Å; K229-I261 PolarHBondContact N-O 2.84Å; K229-I261 PolarHBondContact O-N 3.1Å
230C86.3Confident79Confident2 Ų259.2 Ų59.21%0.01431%0.31CS..  trans-169.1160.4-170.947.90000110.1V232 R244 F260C230-V232 HydrophobicContact CB-CG2 3.98Å; C230-V232 WeakPolarHBondContact SG-CG2 3.13Å; C230-R244 PolarHBondContact N-O 2.76Å; C230-R244 CarbonylContact O-C 3.56Å; C230-F260 HydrophobicContact CB-CD1 3.42Å; C230-F260 VanDerWaalsContact CB-CD1 3.42Å; C230-F260 HydrophobicContact CB-CE1 3.86Å; C230-F260 HydrophobicContact CB-CG 4.34Å
231Q81.8Confident77.7Confident40 Ų4061 Ų6119%0.18732%0.32CS..  trans-107.683.4169.9-68.5-175.929.900108.8I240 D254 V255 Q257Q231-I240 HydrophobicContact CB-CG2 3.82Å; Q231-I240 HydrophobicContact CG-CG2 4.23Å; Q231-D254 VanDerWaalsContact NE2-CB 3.28Å; Q231-V255 VanDerWaalsContact CG-O 3.24Å; Q231-V255 WeakPolarHBondContact CG-O 3.39Å; Q231-V255 PolarHBondContact NE2-O 2.79Å; Q231-Q257 HydrophobicContact CB-CG 4.18Å
232V70.6Confident76.5Confident69 Ų6969.4 Ų69.442%0.41835%0.351SS..PPolyproline II helixtrans-90.7142.6177.6-165.70000108.7C230 D241 F260C230-V232 HydrophobicContact CB-CG2 3.98Å; C230-V232 WeakPolarHBondContact SG-CG2 3.13Å; V232-D241 PolarHBondContact O-N 3.2Å; V232-F260 HydrophobicContact CG2-CE1 4.46Å
233K65.8Low75.5Confident129 Ų12977.8 Ų77.856%0.56139%0.39SS*.EExtended strand (participates in β ladder)trans-66.7139.8167.4-69.4-172171.9-162.40109.3D238K233-D238 IonicContact NZ-OD1 3.27Å; K233-D238 PolarHBondContact NZ-OD1 3.33Å
234K61.3Low74.9Confident113 Ų11379.2 Ų79.249%0.49140%0.395SS..EExtended strand (participates in β ladder)trans-63.3140.2172.7-74-179.3178.4-176.20109.7D236 S237 A239 D241K234-D236 PolarHBondContact O-N 2.97Å; K234-S237 WeakPolarHBondContact CB-OG 3.46Å; K234-S237 PolarHBondContact O-N 2.86Å; K234-S237 VanDerWaalsContact O-N 3.14Å; K234-A239 WeakPolarHBondContact CG-O 3.34Å; K234-A239 PolarHBondContact N-O 2.88Å; K234-D241 HydrophobicContact CG-CB 4.18Å
235K58.8Low74.5Confident157 Ų15777 Ų7768%0.68338%0.384SS*.THydrogen-bonded Turntrans-52.6-30-178.6-77.7-174.5173.8-178.80113.8E151E151-K235 IonicContact OE1-NZ 2.72Å; E151-K235 PolarHBondContact OE1-NZ 3.3Å; E151-K235 IonicContact OE2-NZ 2.81Å; E151-K235 PolarHBondContact OE2-NZ 3.32Å
236D60.8Low74Confident164 Ų16482.6 Ų82.688%0.87740%0.404SS*.THydrogen-bonded Turntrans-113.210.3-175.6-52.2-46.8000114.4K234K234-D236 PolarHBondContact O-N 2.97Å
237S63.9Low73.7Confident53 Ų5379.4 Ų79.437%0.37138%0.384SS..EExtended strand (participates in β ladder)trans-160.4151.5178.8700000113K234 A239K234-S237 WeakPolarHBondContact CB-OG 3.46Å; K234-S237 PolarHBondContact O-N 2.86Å; K234-S237 VanDerWaalsContact O-N 3.14Å; S237-A239 PolarHBondContact O-N 3.43Å; S237-A239 WeakPolarHBondContact OG-CB 3.34Å; S237-A239 PolarHBondContact OG-N 2.86Å
238D63.4Low73.2Confident130 Ų13084.6 Ų84.670%0.69540%0.403SS*.EExtended strand (participates in β ladder)trans-65.9-1169.6-84.6-47.7000114.2K233 I240K233-D238 IonicContact NZ-OD1 3.27Å; K233-D238 PolarHBondContact NZ-OD1 3.33Å; D238-I240 PolarHBondContact O-N 3.47Å
239A59.7Low72.6Confident52 Ų5290.3 Ų90.343%0.4343%0.434SS..EExtended strand (participates in β ladder)trans-70.6128.6174.600000110.9K234 S237K234-A239 WeakPolarHBondContact CG-O 3.34Å; K234-A239 PolarHBondContact N-O 2.88Å; S237-A239 PolarHBondContact O-N 3.43Å; S237-A239 WeakPolarHBondContact OG-CB 3.34Å; S237-A239 PolarHBondContact OG-N 2.86Å
240I68.8Low72.2Confident59 Ų5988.7 Ų88.730%0.30343%0.428SS..EExtended strand (participates in β ladder)trans-71.6130.3175.8-61.3171.8000109.1Q231 D238 R242Q231-I240 HydrophobicContact CB-CG2 3.82Å; Q231-I240 HydrophobicContact CG-CG2 4.23Å; D238-I240 PolarHBondContact O-N 3.47Å; I240-R242 PolarHBondContact O-N 2.94Å
241D69.1Low71.9Confident38 Ų3897.4 Ų97.420%0.20347%0.468CS..  trans-71.6101.1169-176.313000110.1V232 K234 Q243V232-D241 PolarHBondContact O-N 3.2Å; K234-D241 HydrophobicContact CG-CB 4.18Å; D241-Q243 VanDerWaalsContact C-N 3.3Å; D241-Q243 WeakPolarHBondContact OD1-CB 3.1Å; D241-Q243 WeakPolarHBondContact OD1-CG 3.34Å; D241-Q243 PolarHBondContact OD1-N 3.29Å
242R71.1Confident71.8Confident191 Ų19197.4 Ų97.472%0.72148%0.479SS*.G310 helixtrans-79.3-8.1178.9-75.5-176.8153.3159.9-3.7113.7I240 R244 S245I240-R242 PolarHBondContact O-N 2.94Å; R242-R244 PolarHBondContact O-N 3.46Å; R242-S245 PolarHBondContact O-N 3.3Å; R242-S245 PolarHBondContact O-OG 3.4Å; R242-S245 VanDerWaalsContact O-OG 3.13Å
243Q75.9Confident72.5Confident176 Ų17695.3 Ų95.382%0.82247%0.471SS*.G310 helixtrans-64.5-24.8-178-65.5-173.8-11.300112.5D241D241-Q243 VanDerWaalsContact C-N 3.3Å; D241-Q243 WeakPolarHBondContact OD1-CB 3.1Å; D241-Q243 WeakPolarHBondContact OD1-CG 3.34Å; D241-Q243 PolarHBondContact OD1-N 3.29Å
244R81.9Confident73.4Confident31 Ų3192.3 Ų92.312%0.11746%0.461CS..G310 helixtrans-111.89.8-178.3-65.5167.162.9-175.9-0.6113.2D224 H225 V228 K229 C230 R242 R246D224-R244 IonicContact OD1-CZ 3.12Å; D224-R244 VanDerWaalsContact OD1-CZ 3.26Å; D224-R244 IonicContact OD1-NH1 2.76Å; D224-R244 PolarHBondContact OD1-NH1 3.09Å; D224-R244 IonicContact OD1-NH2 3.98Å; D224-R244 PolarHBondContact OD1-NH2 2.99Å; D224-R244 IonicContact OD2-NH1 3.92Å; H225-R244 PolarHBondContact O-NH2 2.93Å; V228-R244 PolarHBondContact O-NE 3.47Å; V228-R244 PolarHBondContact O-NH2 3.36Å; V228-R244 VanDerWaalsContact O-NH2 3.12Å; K229-R244 CarbonylContact C-O 3.48Å; K229-R244 WeakPolarHBondContact CA-O 3.22Å; K229-R244 WeakPolarHBondContact CB-O 3.32Å; C230-R244 PolarHBondContact N-O 2.76Å; C230-R244 CarbonylContact O-C 3.56Å; R242-R244 PolarHBondContact O-N 3.46Å; R244-R246 VanDerWaalsContact C-N 3.31Å; R244-R246 PolarHBondContact O-N 3.2Å
245S82.9Confident74.5Confident10 Ų1086.9 Ų86.97%0.0744%0.438CS..SBendtrans-70.5-23.9-171.768.90000114R242 D254 V255R242-S245 PolarHBondContact O-N 3.3Å; R242-S245 PolarHBondContact O-OG 3.4Å; R242-S245 VanDerWaalsContact O-OG 3.13Å; S245-D254 WeakPolarHBondContact CB-OD1 3.29Å; S245-D254 CarbonylContact O-C 3.27Å; S245-D254 WeakPolarHBondContact O-CA 3.39Å; S245-D254 PolarHBondContact OG-OD1 3.19Å; S245-V255 WeakPolarHBondContact O-CG2 3.29Å; S245-V255 PolarHBondContact O-N 3.26Å
246R81.3Confident75.8Confident151 Ų15181.5 Ų81.557%0.5742%0.419SS*.  trans-121.2127.9-170.8-162.8169.4-175.8-172.30.8112.7R244 S250R244-R246 VanDerWaalsContact C-N 3.31Å; R244-R246 PolarHBondContact O-N 3.2Å; R246-S250 PolarHBondContact NH2-O 2.95Å; R246-S250 VanDerWaalsContact NH2-O 3.09Å
247A79.6Confident76.8Confident4 Ų479.5 Ų79.53%0.03340%0.404CS..  trans-84.9160.5170.500000111.6F182 K229 S250 I261F182-A247 WeakPolarHBondContact O-CB 3.2Å; K229-A247 HydrophobicContact CB-CB 4.3Å; K229-A247 HydrophobicContact CG-CB 3.96Å; A247-S250 WeakPolarHBondContact O-CB 3.3Å; A247-S250 PolarHBondContact O-N 2.81Å; A247-I261 HydrophobicContact CB-CD1 4.1Å; A247-I261 HydrophobicContact CB-CG2 4.38Å
248K75.8Confident77.9Confident169 Ų16982 Ų8274%0.73541%0.408SS*.THydrogen-bonded Turntrans-62.2140.1174.5-67.5-176.8179.8179.30109.2G183 E184 S250G183-K248 VanDerWaalsContact CA-O 3.26Å; G183-K248 WeakPolarHBondContact CA-O 3.49Å; E184-K248 PolarHBondContact N-O 3.13Å; K248-S250 PolarHBondContact O-N 3.48Å
249N77.1Confident79.1Confident119 Ų11977.3 Ų77.364%0.63638%0.381SS*.THydrogen-bonded Turntrans60.126.9179.7-52.1-25.3000114.3E184 E251E184-N249 PolarHBondContact OE1-ND2 3.33Å; N249-E251 PolarHBondContact O-N 2.84Å
250S80.9Confident80.6Confident6 Ų675.9 Ų75.94%0.04237%0.365CS..  trans-73.6112.2174.9-1770000111.6F182 R246 A247 K248 G253F182-S250 WeakPolarHBondContact CA-OG 3.48Å; F182-S250 WeakPolarHBondContact O-CB 3.5Å; F182-S250 PolarHBondContact O-OG 3.24Å; R246-S250 PolarHBondContact NH2-O 2.95Å; R246-S250 VanDerWaalsContact NH2-O 3.09Å; A247-S250 WeakPolarHBondContact O-CB 3.3Å; A247-S250 PolarHBondContact O-N 2.81Å; K248-S250 PolarHBondContact O-N 3.48Å; S250-G253 WeakPolarHBondContact CB-O 3.27Å; S250-G253 PolarHBondContact OG-N 3.18Å; S250-G253 PolarHBondContact OG-O 3.4Å
251E80.1Confident81.7Confident185 Ų18573 Ų7386%0.86435%0.351SS*.SBendtrans-79.8-34172.9-63-174.7166.100111.7V181 N249 G253V181-E251 PolarHBondContact O-N 3.28Å; N249-E251 PolarHBondContact O-N 2.84Å; E251-G253 VanDerWaalsContact C-N 3.31Å; E251-G253 PolarHBondContact O-N 3.39Å
252G78.1Confident82.7Confident40 Ų4071.2 Ų71.241%0.41234%0.341SS..SBendtrans-85.57.9-178.100000115.4V181V181-G252 WeakPolarHBondContact O-CA 3.47Å; V181-G252 PolarHBondContact O-N 2.86Å
253G85.7Confident83.5Confident25 Ų2564.3 Ų64.326%0.25832%0.32SS..  trans86.3-134.917700000113.8S250 E251S250-G253 WeakPolarHBondContact CB-O 3.27Å; S250-G253 PolarHBondContact OG-N 3.18Å; S250-G253 PolarHBondContact OG-O 3.4Å; E251-G253 VanDerWaalsContact C-N 3.31Å; E251-G253 PolarHBondContact O-N 3.39Å
254D85.3Confident84.1Confident65 Ų6558.2 Ų58.235%0.34829%0.293SS..SBendtrans-78.2146.9-178.6-68.2-38.8000111.9F182 Q231 S245F182-D254 WeakPolarHBondContact CD1-O 3.41Å; Q231-D254 VanDerWaalsContact NE2-CB 3.28Å; S245-D254 WeakPolarHBondContact CB-OD1 3.29Å; S245-D254 CarbonylContact O-C 3.27Å; S245-D254 WeakPolarHBondContact O-CA 3.39Å; S245-D254 PolarHBondContact OG-OD1 3.19Å
255V84.4Confident84.5Confident0 Ų059.1 Ų59.10%030%0.3CS..PPolyproline II helixtrans-64128.3175.4-178.50000109.4F182 K229 Q231 S245 Y259 I261F182-V255 HydrophobicContact CB-CG2 4.39Å; K229-V255 HydrophobicContact CB-CG2 4.12Å; Q231-V255 VanDerWaalsContact CG-O 3.24Å; Q231-V255 WeakPolarHBondContact CG-O 3.39Å; Q231-V255 PolarHBondContact NE2-O 2.79Å; S245-V255 WeakPolarHBondContact O-CG2 3.29Å; S245-V255 PolarHBondContact O-N 3.26Å; V255-Y259 WeakPolarHBondContact CG1-O 3.46Å; V255-I261 HydrophobicContact CB-CD1 4.45Å; V255-I261 HydrophobicContact CG1-CD1 4.15Å; V255-I261 HydrophobicContact CG1-CG1 4.1Å; V255-I261 HydrophobicContact CG2-CD1 3.45Å; V255-I261 VanDerWaalsContact CG2-CD1 3.45Å; V255-I261 HydrophobicContact CG2-CG1 4.06Å
256P85.6Confident84.8Confident44 Ų4462.4 Ų62.429%0.28631%0.314SS..PPolyproline II helixtrans-64.3155.4-178.2-13.424.2000112.6F182 K258 Y259F182-P256 HydrophobicContact CD2-CG 4.5Å; F182-P256 HydrophobicContact CE1-CG 4.02Å; F182-P256 HydrophobicContact CE2-CG 3.86Å; F182-P256 HydrophobicContact CZ-CG 3.6Å; P256-K258 VanDerWaalsContact C-N 3.29Å; P256-K258 PolarHBondContact O-N 2.7Å; P256-K258 VanDerWaalsContact O-N 3.11Å; P256-Y259 HydrophobicContact CB-CD2 3.92Å; P256-Y259 HydrophobicContact CG-CD2 3.92Å; P256-Y259 HydrophobicContact CG-CE2 4.45Å; P256-Y259 PolarHBondContact O-N 2.93Å
257Q82.2Confident85.4Confident122 Ų12255.2 Ų55.257%0.5729%0.287SS*.THydrogen-bonded Turntrans-54.7-35.7-170.6-69.7179.9-10.300115.7Q231 Y259Q231-Q257 HydrophobicContact CB-CG 4.18Å; Q257-Y259 VanDerWaalsContact C-N 3.3Å
258K86.8Confident86.2Confident104 Ų10455.6 Ų55.645%0.45229%0.289SS..THydrogen-bonded Turntrans-861.7-179.8-70.7-177.2164.5-1700113.7T189 S190 D191 M194 P256T189-K258 CarbonylContact C-O 3.57Å; T189-K258 WeakPolarHBondContact CA-O 3.24Å; T189-K258 VanDerWaalsContact CB-O 3.31Å; T189-K258 WeakPolarHBondContact CB-O 3.07Å; T189-K258 PolarHBondContact OG1-O 3.48Å; S190-K258 PolarHBondContact N-O 3.44Å; S190-K258 VanDerWaalsContact N-O 3.07Å; D191-K258 HydrophobicContact CB-CD 4.04Å; D191-K258 IonicContact OD2-NZ 3.45Å; D191-K258 PolarHBondContact OD2-NZ 3.1Å; M194-K258 HydrophobicContact SD-CB 4.32Å; M194-K258 HydrophobicContact SD-CD 4.3Å; P256-K258 VanDerWaalsContact C-N 3.29Å; P256-K258 PolarHBondContact O-N 2.7Å; P256-K258 VanDerWaalsContact O-N 3.11Å
259Y88.9Confident87.1Confident32 Ų3249.2 Ų49.213%0.12526%0.26CS..EExtended strand (participates in β ladder)trans-111.8147.1-177.8-75.2-87.7000112.1L188 M194 V255 P256 Q257L188-Y259 CarbonylContact O-C 3.48Å; L188-Y259 WeakPolarHBondContact O-CA 3.27Å; L188-Y259 WeakPolarHBondContact O-CD1 3.5Å; M194-Y259 HydrophobicContact CE-CE2 3.57Å; M194-Y259 WeakPolarHBondContact CE-OH 3.34Å; M194-Y259 HydrophobicContact SD-CE2 4Å; V255-Y259 WeakPolarHBondContact CG1-O 3.46Å; P256-Y259 HydrophobicContact CB-CD2 3.92Å; P256-Y259 HydrophobicContact CG-CD2 3.92Å; P256-Y259 HydrophobicContact CG-CE2 4.45Å; P256-Y259 PolarHBondContact O-N 2.93Å; Q257-Y259 VanDerWaalsContact C-N 3.3Å
260F90.9Very high88Confident22 Ų2243.7 Ų43.710%0.09623%0.23CC..EExtended strand (participates in β ladder)trans-126.8135.1172-49.5-94.4000108.4F153 A155 L188 V228 K229 C230 V232F153-F260 HydrophobicContact CD2-CE1 4.43Å; F153-F260 AromaticContact CE2-CD1 3.61Å; F153-F260 HydrophobicContact CE2-CD1 3.61Å; F153-F260 HydrophobicContact CE2-CD2 4.27Å; F153-F260 AromaticContact CE2-CE1 3.67Å; F153-F260 HydrophobicContact CE2-CE1 3.67Å; F153-F260 HydrophobicContact CE2-CE2 4.3Å; F153-F260 AromaticContact CE2-CG 3.95Å; F153-F260 HydrophobicContact CE2-CG 3.95Å; F153-F260 HydrophobicContact CE2-CZ 4.03Å; F153-F260 AromaticContact CZ-CD1 3.77Å; F153-F260 HydrophobicContact CZ-CD1 3.77Å; F153-F260 HydrophobicContact CZ-CE1 4.09Å; F153-F260 HydrophobicContact CZ-CG 4.32Å; A155-F260 HydrophobicContact CB-CD2 3.87Å; A155-F260 HydrophobicContact CB-CE2 4.16Å; L188-F260 HydrophobicContact CB-CB 4.26Å; L188-F260 PolarHBondContact N-O 3.49Å; L188-F260 PolarHBondContact O-N 3.19Å; V228-F260 HydrophobicContact CG1-CB 4.24Å; K229-F260 CarbonylContact O-C 3.54Å; K229-F260 WeakPolarHBondContact O-CA 3.22Å; C230-F260 HydrophobicContact CB-CD1 3.42Å; C230-F260 VanDerWaalsContact CB-CD1 3.42Å; C230-F260 HydrophobicContact CB-CE1 3.86Å; C230-F260 HydrophobicContact CB-CG 4.34Å; V232-F260 HydrophobicContact CG2-CE1 4.46Å
261I91.3Very high88.8Confident0 Ų044.9 Ų44.90%024%0.235CC..EExtended strand (participates in β ladder)trans-115.4112.8174.6-56.4177.1000108.1F182 T186 Y187 V228 K229 A247 V255F182-I261 HydrophobicContact CB-CD1 3.62Å; F182-I261 VanDerWaalsContact O-CD1 3.3Å; F182-I261 WeakPolarHBondContact O-CD1 3.4Å; T186-I261 WeakPolarHBondContact O-CA 3.43Å; Y187-I261 HydrophobicContact CD1-CD1 4.34Å; Y187-I261 HydrophobicContact CD1-CG1 4.09Å; Y187-I261 HydrophobicContact CE1-CD1 3.56Å; Y187-I261 HydrophobicContact CE1-CG1 3.8Å; Y187-I261 HydrophobicContact CE2-CD1 4.38Å; Y187-I261 HydrophobicContact CE2-CG1 4.49Å; Y187-I261 HydrophobicContact CE2-CG2 4.48Å; V228-I261 WeakPolarHBondContact CA-O 3.39Å; K229-I261 HydrophobicContact CB-CB 4.24Å; K229-I261 PolarHBondContact N-O 2.84Å; K229-I261 PolarHBondContact O-N 3.1Å; A247-I261 HydrophobicContact CB-CD1 4.1Å; A247-I261 HydrophobicContact CB-CG2 4.38Å; V255-I261 HydrophobicContact CB-CD1 4.45Å; V255-I261 HydrophobicContact CG1-CD1 4.15Å; V255-I261 HydrophobicContact CG1-CG1 4.1Å; V255-I261 HydrophobicContact CG2-CD1 3.45Å; V255-I261 VanDerWaalsContact CG2-CD1 3.45Å; V255-I261 HydrophobicContact CG2-CG1 4.06Å
262V90.9Very high89.6Confident0 Ų037.4 Ų37.40%020%0.199CC..EExtended strand (participates in β ladder)trans-97.2117.1177.9-172.10000109.3G185 T186 L188 I222 V228 N264 L267 L268G185-V262 WeakPolarHBondContact CA-O 3.42Å; T186-V262 PolarHBondContact N-O 3.06Å; T186-V262 PolarHBondContact O-N 3.24Å; L188-V262 HydrophobicContact CD1-CG2 3.65Å; I222-V262 HydrophobicContact CG2-CG2 4.14Å; V228-V262 HydrophobicContact CG1-CG2 4.03Å; V228-V262 HydrophobicContact CG2-CG1 4.19Å; V228-V262 HydrophobicContact CG2-CG2 4.09Å; V262-N264 VanDerWaalsContact CG1-O 3.29Å; V262-N264 WeakPolarHBondContact CG1-O 3.27Å; V262-L267 HydrophobicContact CG1-CB 4.06Å; V262-L268 HydrophobicContact CB-CD2 3.59Å; V262-L268 HydrophobicContact CG1-CD2 3.54Å; V262-L268 HydrophobicContact CG2-CD2 3.96Å
263T87.3Confident90.5Very high45 Ų4535.5 Ų35.528%0.27618%0.179SC..  trans-87.8-26.4-177.955.80000113C174 D227C174-T263 PolarHBondContact SG-O 2.93Å; D227-T263 PolarHBondContact O-N 2.87Å; D227-T263 PolarHBondContact O-OG1 3.28Å
264N89.6Confident91Very high49 Ų4934.5 Ų34.526%0.26217%0.168SC..  trans-110.9115.5179.6179-3.2000110.8V262 Q266 L267V262-N264 VanDerWaalsContact CG1-O 3.29Å; V262-N264 WeakPolarHBondContact CG1-O 3.27Å; N264-Q266 PolarHBondContact O-N 3.34Å; N264-Q266 VanDerWaalsContact O-N 3.07Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.36Å; N264-Q266 PolarHBondContact OD1-N 3.41Å; N264-L267 HydrophobicContact CB-CD1 3.78Å; N264-L267 HydrophobicContact CB-CG 4.01Å; N264-L267 WeakPolarHBondContact O-CB 3.38Å; N264-L267 PolarHBondContact O-N 3.21Å
265N89.5Confident91.5Very high49 Ų4931.5 Ų31.526%0.26215%0.152SC..G310 helixtrans-62.5-16.9-177.7-59.6-27.7000113.9L172 C174 L267 L268L172-N265 VanDerWaalsContact O-CG 3.25Å; L172-N265 PolarHBondContact O-OD1 2.8Å; C174-N265 WeakPolarHBondContact CB-OD1 3.27Å; C174-N265 PolarHBondContact N-OD1 3.05Å; C174-N265 VanDerWaalsContact SG-CG 3.55Å; C174-N265 PolarHBondContact SG-ND2 3Å; C174-N265 PolarHBondContact SG-OD1 3.13Å; N265-L267 PolarHBondContact O-N 2.9Å; N265-L268 VanDerWaalsContact O-O 3.13Å
266Q90.4Very high92Very high80 Ų8032.2 Ų32.237%0.37416%0.155SC..G310 helixtrans-77.7-12.8178-57.6-173.912.200113.1M146 N264 L268M146-Q266 HydrophobicContact CE-CB 4.34Å; M146-Q266 HydrophobicContact CG-CB 4.46Å; N264-Q266 PolarHBondContact O-N 3.34Å; N264-Q266 VanDerWaalsContact O-N 3.07Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.36Å; N264-Q266 PolarHBondContact OD1-N 3.41Å; Q266-L268 VanDerWaalsContact C-N 3.33Å
267L93.6Very high92.4Very high0 Ų030.2 Ų30.20%014%0.142CC..G310 helixtrans-87.9-4.3-178.8-60.9174.9000113.2I222 I223 H225 D227 V228 V262 N264 N265I222-L267 CarbonylContact C-O 3.57Å; I222-L267 WeakPolarHBondContact CA-O 3.41Å; I223-L267 HydrophobicContact CB-CD2 4.37Å; I223-L267 HydrophobicContact CD1-CD2 4.44Å; I223-L267 PolarHBondContact N-O 3.05Å; H225-L267 HydrophobicContact CB-CD1 3.8Å; H225-L267 HydrophobicContact CB-CD2 3.88Å; H225-L267 HydrophobicContact CB-CG 4.41Å; D227-L267 HydrophobicContact CB-CD1 3.66Å; V228-L267 HydrophobicContact CG2-CD1 4.23Å; V262-L267 HydrophobicContact CG1-CB 4.06Å; N264-L267 HydrophobicContact CB-CD1 3.78Å; N264-L267 HydrophobicContact CB-CG 4.01Å; N264-L267 WeakPolarHBondContact O-CB 3.38Å; N264-L267 PolarHBondContact O-N 3.21Å; N265-L267 PolarHBondContact O-N 2.9Å
268L94.9Very high92.6Very high12 Ų1227.6 Ų27.66%0.06313%0.13CC..EExtended strand (participates in β ladder)trans-140.4151.7-178.383.6101.1000110.9L172 T186 C220 E221 I222 V262 N265 Q266L172-L268 HydrophobicContact CB-CD1 4.21Å; L172-L268 HydrophobicContact CD1-CD1 3.76Å; L172-L268 HydrophobicContact CG-CD1 4.38Å; T186-L268 HydrophobicContact CG2-CD2 4.14Å; C220-L268 HydrophobicContact CB-CD1 4.16Å; E221-L268 CarbonylContact O-C 3.55Å; E221-L268 VanDerWaalsContact O-CA 3.28Å; E221-L268 WeakPolarHBondContact O-CA 3.43Å; I222-L268 HydrophobicContact CG1-CB 4.02Å; V262-L268 HydrophobicContact CB-CD2 3.59Å; V262-L268 HydrophobicContact CG1-CD2 3.54Å; V262-L268 HydrophobicContact CG2-CD2 3.96Å; N265-L268 VanDerWaalsContact O-O 3.13Å; Q266-L268 VanDerWaalsContact C-N 3.33Å
269R95.4Very high91.4Very high35 Ų3524.6 Ų24.613%0.13213%0.129CC..EExtended strand (participates in β ladder)trans-142.3151.6166.663.2-177.2-179.3177.6-3.3110.5Y135 N140 F143 C220 E221 K271Y135-R269 HydrophobicContact CE2-CB 4.27Å; Y135-R269 HydrophobicContact CE2-CG 4.3Å; N140-R269 PolarHBondContact OD1-NH1 2.89Å; F143-R269 HydrophobicContact CD2-CG 4.31Å; F143-R269 HydrophobicContact CE2-CG 4.01Å; F143-R269 HydrophobicContact CZ-CG 4.3Å; C220-R269 CarbonylContact C-O 3.44Å; C220-R269 WeakPolarHBondContact CA-O 3.49Å; E221-R269 HydrophobicContact CB-CG 4.28Å; E221-R269 PolarHBondContact N-O 3.46Å; E221-R269 PolarHBondContact O-N 2.99Å; E221-R269 IonicContact OE2-CZ 3.25Å; E221-R269 IonicContact OE2-NE 2.9Å; E221-R269 PolarHBondContact OE2-NE 3.48Å; E221-R269 IonicContact OE2-NH2 3.99Å; E221-R269 PolarHBondContact OE2-NH2 3.26Å; R269-K271 PolarHBondContact O-N 3.17Å
270V97Very high89.8Confident2 Ų227.4 Ų27.41%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-75.3119.4174178.70000107.9L133 Y135 I167 L172 A218 L273L133-V270 HydrophobicContact CD1-CG1 4.2Å; L133-V270 HydrophobicContact CD2-CB 4.4Å; L133-V270 HydrophobicContact CD2-CG1 4.27Å; Y135-V270 VanDerWaalsContact CE2-O 3.3Å; Y135-V270 WeakPolarHBondContact CE2-O 3.37Å; Y135-V270 PolarHBondContact OH-O 2.87Å; I167-V270 HydrophobicContact CG2-CG2 3.8Å; L172-V270 HydrophobicContact CD1-CG2 4.24Å; L172-V270 HydrophobicContact CG-CG2 4.26Å; A218-V270 HydrophobicContact CB-CG1 3.8Å; A218-V270 HydrophobicContact CB-CG2 4.23Å; V270-L273 HydrophobicContact CG1-CD2 3.91Å
271K96.3Very high87.6Confident31 Ų3131.9 Ų31.914%0.13516%0.162CC..EExtended strand (participates in β ladder)trans-104-36.9-177.5-174.158.1168.7155.80112.2E132 L133 Y154 L219 E221 R269E132-K271 WeakPolarHBondContact OE1-CE 3.44Å; E132-K271 IonicContact OE1-NZ 3.79Å; E132-K271 PolarHBondContact OE1-NZ 3.02Å; L133-K271 PolarHBondContact N-O 3.14Å; Y154-K271 HydrophobicContact CE1-CB 4.43Å; Y154-K271 HydrophobicContact CE1-CG 4.36Å; L219-K271 PolarHBondContact O-N 2.86Å; E221-K271 HydrophobicContact CB-CB 4.16Å; R269-K271 PolarHBondContact O-N 3.17Å
272Y97.1Very high85.3Confident28 Ų2836.3 Ų36.311%0.1119%0.186CC..EExtended strand (participates in β ladder)trans-134.7156178.4-48.7-87.6000112.4L105 L113 F131 E132 Y154 A218 L219L105-Y272 HydrophobicContact CD1-CD1 3.78Å; L105-Y272 HydrophobicContact CD1-CE1 3.84Å; L113-Y272 HydrophobicContact CD2-CD1 4.18Å; L113-Y272 HydrophobicContact CD2-CD2 3.53Å; L113-Y272 HydrophobicContact CD2-CE1 4.2Å; L113-Y272 HydrophobicContact CD2-CE2 3.51Å; L113-Y272 HydrophobicContact CD2-CG 3.86Å; F131-Y272 CarbonylContact O-C 3.33Å; F131-Y272 WeakPolarHBondContact O-CA 3.41Å; F131-Y272 WeakPolarHBondContact O-CB 3.45Å; E132-Y272 HydrophobicContact CB-CD1 3.94Å; E132-Y272 HydrophobicContact CB-CE1 4.04Å; E132-Y272 HydrophobicContact CG-CD1 4.07Å; E132-Y272 HydrophobicContact CG-CE1 3.81Å; Y154-Y272 HydrophobicContact CE1-CE2 4.03Å; A218-Y272 WeakPolarHBondContact CA-O 3.39Å; L219-Y272 HydrophobicContact CB-CD2 4.28Å; L219-Y272 HydrophobicContact CD2-CD2 3.82Å; L219-Y272 HydrophobicContact CD2-CE2 4.44Å; L219-Y272 HydrophobicContact CG-CD2 4.26Å; L219-Y272 PolarHBondContact N-O 3.44Å; L219-Y272 PolarHBondContact O-N 3.21Å; L219-Y272 VanDerWaalsContact O-N 3.1Å
273L97.6Very high82.9Confident0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-122125.7171-60.6172.6000109.7L27 L31 F131 L133 F164 I168 A218 V270L27-L273 HydrophobicContact CD2-CD1 3.93Å; L31-L273 HydrophobicContact CD1-CD1 4.47Å; F131-L273 HydrophobicContact CB-CB 4.3Å; F131-L273 HydrophobicContact CD2-CB 4.5Å; F131-L273 PolarHBondContact N-O 3.48Å; F131-L273 PolarHBondContact O-N 3.07Å; L133-L273 HydrophobicContact CD1-CD1 3.89Å; L133-L273 HydrophobicContact CD1-CG 3.72Å; F164-L273 HydrophobicContact CD1-CD2 3.76Å; F164-L273 HydrophobicContact CE1-CD2 3.71Å; I168-L273 HydrophobicContact CG2-CD1 3.98Å; A218-L273 HydrophobicContact CB-CD2 4.12Å; V270-L273 HydrophobicContact CG1-CD2 3.91Å
274L95.8Very high80.9Confident5 Ų548.7 Ų48.73%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-101.5116.9174.5-69.778000107.6P127 L130 F156 L192 C216 V217 L219 Y276P127-L274 HydrophobicContact CB-CB 4.01Å; P127-L274 HydrophobicContact CB-CG 4.44Å; P127-L274 HydrophobicContact CG-CB 4.32Å; P127-L274 HydrophobicContact CG-CD2 4.13Å; P127-L274 HydrophobicContact CG-CG 4.2Å; L130-L274 HydrophobicContact CD1-CD1 4.28Å; L130-L274 HydrophobicContact CD1-CG 4.07Å; F156-L274 HydrophobicContact CE1-CD1 4.36Å; F156-L274 HydrophobicContact CE1-CD2 4.11Å; L192-L274 HydrophobicContact CD1-CD2 4.26Å; L192-L274 HydrophobicContact CD2-CD2 3.68Å; C216-L274 CarbonylContact C-O 3.49Å; C216-L274 WeakPolarHBondContact CA-O 3.46Å; V217-L274 HydrophobicContact CB-CB 4.34Å; V217-L274 PolarHBondContact N-O 3.44Å; V217-L274 PolarHBondContact O-N 3.39Å; L219-L274 HydrophobicContact CB-CD1 4.08Å; L274-Y276 HydrophobicContact CB-CE2 4.18Å
275V96.3Very high78.6Confident1 Ų154.3 Ų54.31%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-116.7128.6-174.9-179.60000110.3L27 D128 F129 F131 L214 S215L27-V275 HydrophobicContact CD1-CG2 3.99Å; D128-V275 PolarHBondContact N-O 2.93Å; F129-V275 HydrophobicContact CB-CB 4.28Å; F129-V275 PolarHBondContact N-O 2.54Å; F129-V275 VanDerWaalsContact N-O 3.09Å; F129-V275 PolarHBondContact O-N 3.01Å; F131-V275 HydrophobicContact CD2-CG2 3.97Å; F131-V275 HydrophobicContact CE2-CB 4.14Å; F131-V275 HydrophobicContact CE2-CG2 3.76Å; L214-V275 HydrophobicContact CB-CG1 4.34Å; L214-V275 HydrophobicContact CD1-CG1 4.48Å; L214-V275 HydrophobicContact CD2-CG1 4.06Å; S215-V275 WeakPolarHBondContact O-CA 3.22Å
276Y94.8Very high76.2Confident15 Ų1555.5 Ų55.56%0.05928%0.279CS..EExtended strand (participates in β ladder)trans-111.8130.4179.4-52.4-92.3000109.1P125 P127 L192 V196 L214 S215 V217 L274P125-Y276 HydrophobicContact CB-CE1 3.95Å; P125-Y276 HydrophobicContact CG-CE1 4.37Å; P125-Y276 PolarHBondContact O-OH 3.42Å; P127-Y276 VanDerWaalsContact CA-CE1 3.47Å; P127-Y276 HydrophobicContact CB-CD1 4.39Å; P127-Y276 HydrophobicContact CB-CE1 3.96Å; L192-Y276 WeakPolarHBondContact CD2-OH 3.42Å; V196-Y276 HydrophobicContact CG2-CE2 4.36Å; L214-Y276 WeakPolarHBondContact CA-O 3.3Å; S215-Y276 PolarHBondContact N-O 3.44Å; S215-Y276 PolarHBondContact O-N 2.83Å; V217-Y276 HydrophobicContact CG2-CE2 4.06Å; L274-Y276 HydrophobicContact CB-CE2 4.18Å
277S93.8Very high74.2Confident3 Ų363.6 Ų63.62%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-110119-178.7-178.80000110.4D128 L210 G279 K280D128-S277 PolarHBondContact OD2-N 3.15Å; L210-S277 WeakPolarHBondContact O-CB 3.45Å; L210-S277 PolarHBondContact O-OG 3.02Å; S277-G279 PolarHBondContact O-N 3.09Å; S277-K280 PolarHBondContact O-N 3.09Å
278Q85.7Confident72.2Confident66 Ų6668.6 Ų68.631%0.30834%0.342SS..Hα-helixtrans-62.9-31.2-178.7-166.4166.64.100112.3Q213 K280 L282Q213-Q278 HydrophobicContact CB-CB 3.97Å; Q213-Q278 PolarHBondContact O-N 2.87Å; Q213-Q278 VanDerWaalsContact O-N 3.16Å; Q278-K280 PolarHBondContact O-N 3.44Å; Q278-L282 HydrophobicContact CG-CD1 4.36Å; Q278-L282 PolarHBondContact O-N 3.15Å
279G62.8Low69.9Low42 Ų4277.1 Ų77.143%0.43337%0.373SS..Hα-helixtrans-69.3-29.5-176.500000114.4S277 A283S277-G279 PolarHBondContact O-N 3.09Å; G279-A283 PolarHBondContact O-N 2.98Å
280K54.3Low68.2Low90 Ų9078.3 Ų78.339%0.39139%0.387SS..Hα-helixtrans-81.5-34.9-178.7-71.2-174.4176-178.40112.9D128 F129 S277 Q278 A283 R284D128-K280 HydrophobicContact CB-CD 4.38Å; F129-K280 HydrophobicContact CE2-CD 4.5Å; S277-K280 PolarHBondContact O-N 3.09Å; Q278-K280 PolarHBondContact O-N 3.44Å; K280-A283 PolarHBondContact O-N 2.93Å; K280-R284 PolarHBondContact O-N 3.46Å
281H44.5Very low66.9Low116 Ų11686.6 Ų86.654%0.53742%0.418SS..Hα-helixtrans-69.3-37.4176.6-104.2-91.8000112.8R284 H285H281-R284 PolarHBondContact O-N 2.87Å; H281-H285 PolarHBondContact O-N 3.43Å
282L43.7Very low65.2Low94 Ų9490 Ų9049%0.49244%0.437SS..Hα-helixtrans-66.1-39.4173.6-73.3167.8000111.3Q278 R284 H285 S286Q278-L282 HydrophobicContact CG-CD1 4.36Å; Q278-L282 PolarHBondContact O-N 3.15Å; L282-R284 VanDerWaalsContact C-N 3.34Å; L282-R284 PolarHBondContact O-N 2.99Å; L282-H285 PolarHBondContact O-N 3.46Å; L282-S286 WeakPolarHBondContact O-CA 3.27Å; L282-S286 WeakPolarHBondContact O-CB 3.47Å; L282-S286 PolarHBondContact O-N 2.91Å
283A41.1Very low63.4Low74 Ų7494.1 Ų94.161%0.61246%0.46SS*.Hα-helixtrans-63.4-35.4176.800000113.4G279 K280G279-A283 PolarHBondContact O-N 2.98Å; K280-A283 PolarHBondContact O-N 2.93Å
284R44.5Very low62Low231 Ų231104.6 Ų104.687%0.87250%0.5SS*.Hα-helixtrans-70.3-29.5175.9-104.7175.779.6162.52.4113.8K280 H281 L282K280-R284 PolarHBondContact O-N 3.46Å; H281-R284 PolarHBondContact O-N 2.87Å; L282-R284 VanDerWaalsContact C-N 3.34Å; L282-R284 PolarHBondContact O-N 2.99Å
285H40.7Very low61.3Low166 Ų166107.6 Ų107.677%0.76951%0.513SS*.Hα-helixtrans-99.2-10.6178-117.9-70.3000114H281 L282 R287H281-H285 PolarHBondContact O-N 3.43Å; L282-H285 PolarHBondContact O-N 3.46Å; H285-R287 VanDerWaalsContact C-N 3.32Å; H285-R287 PolarHBondContact O-N 2.81Å
286S40.1Very low60.6Low74 Ų74112.8 Ų112.852%0.51754%0.537SS..THydrogen-bonded Turntrans-92.148.3-176.3176.90000112.4L282L282-S286 WeakPolarHBondContact O-CA 3.27Å; L282-S286 WeakPolarHBondContact O-CB 3.47Å; L282-S286 PolarHBondContact O-N 2.91Å
287R47.4Very low60Low251 Ų251119.7 Ų119.795%0.94757%0.568SS**THydrogen-bonded Turntrans-88.3-6.8155.3-104.3-176.8176.4178.8-1.1113.6H285H285-R287 VanDerWaalsContact C-N 3.32Å; H285-R287 PolarHBondContact O-N 2.81Å
288S52Low59.5Low105 Ų105122 Ų12273%0.73459%0.587SS**SBendtrans-165.882.4167.4-168.80000111.9
289R47.7Very low59.7Low191 Ų191120.8 Ų120.872%0.72158%0.583SS**  trans-119.495.5154.4-97.6-176.3174.1179.1-1.3106.9W291 L293R289-W291 PolarHBondContact O-N 3.45Å; R289-L293 HydrophobicContact CG-CD1 4.28Å
290S60Low61Low60 Ų60123.3 Ų123.342%0.4258%0.584SS.*  trans-48.4133.5-179.451.90000111L292 L293S290-L292 PolarHBondContact O-N 3.49Å; S290-L293 PolarHBondContact O-N 3.02Å
291W67.8Low62.8Low176 Ų176123.5 Ų123.567%0.66759%0.587SS**Hα-helixtrans-36.3-34.3172.1178.890.4000114.2R289 L293 R294 H295 I299R289-W291 PolarHBondContact O-N 3.45Å; W291-L293 VanDerWaalsContact C-N 3.32Å; W291-L293 PolarHBondContact O-N 3.11Å; W291-R294 PolarHBondContact O-N 3.02Å; W291-R294 VanDerWaalsContact O-N 3.08Å; W291-H295 AromaticContact CD1-CD2 3.69Å; W291-H295 AromaticContact CD1-NE2 3.79Å; W291-H295 AromaticContact CD2-CD2 3.68Å; W291-H295 AromaticContact CE2-CD2 3.27Å; W291-H295 AromaticContact CE2-NE2 3.71Å; W291-H295 AromaticContact CG-CD2 3.93Å; W291-H295 AromaticContact CZ2-CD2 3.7Å; W291-H295 AromaticContact NE1-CD2 3.27Å; W291-H295 PolarHBondContact NE1-CD2 2.83Å; W291-H295 VanDerWaalsContact NE1-CD2 3.27Å; W291-H295 AromaticContact NE1-NE2 3.26Å; W291-H295 PolarHBondContact NE1-NE2 3.2Å; W291-H295 PolarHBondContact O-CD2 3.45Å; W291-H295 PolarHBondContact O-N 3.42Å; W291-I299 HydrophobicContact CZ3-CD1 4.14Å
292L60.6Low65.1Low103 Ų103121.5 Ų121.554%0.53959%0.587SS.*Hα-helixtrans-47.4-42.5172.3-80.1139.6000115.1S290 H295 H296 I299S290-L292 PolarHBondContact O-N 3.49Å; L292-H295 PolarHBondContact O-N 2.92Å; L292-H296 PolarHBondContact O-N 3.31Å; L292-H296 VanDerWaalsContact O-N 3.12Å; L292-I299 HydrophobicContact CB-CD1 4.45Å; L292-I299 HydrophobicContact CD2-CD1 3.8Å; L292-I299 HydrophobicContact CG-CD1 4.34Å
293L60.7Low67.4Low113 Ų113121.6 Ų121.659%0.59259%0.587SS**Hα-helixtrans-73.3-29.1-178.7-79.3161.3000112.5R289 S290 W291 H295R289-L293 HydrophobicContact CG-CD1 4.28Å; S290-L293 PolarHBondContact O-N 3.02Å; W291-L293 VanDerWaalsContact C-N 3.32Å; W291-L293 PolarHBondContact O-N 3.11Å; L293-H295 VanDerWaalsContact C-N 3.34Å
294R68.6Low69.9Low220 Ų220124.2 Ų124.283%0.8358%0.582SS**Hα-helixtrans-75.6-27.3179.1-167.1175.8-175.8-176.7-0112W291W291-R294 PolarHBondContact O-N 3.02Å; W291-R294 VanDerWaalsContact O-N 3.08Å
295H80.3Confident72.3Confident68 Ų68118.4 Ų118.432%0.31557%0.568SS.*THydrogen-bonded Turntrans-109.917.5180-63-74.1000113.2W291 L292 L293 F297 A298 I299W291-H295 AromaticContact CD1-CD2 3.69Å; W291-H295 AromaticContact CD1-NE2 3.79Å; W291-H295 AromaticContact CD2-CD2 3.68Å; W291-H295 AromaticContact CE2-CD2 3.27Å; W291-H295 AromaticContact CE2-NE2 3.71Å; W291-H295 AromaticContact CG-CD2 3.93Å; W291-H295 AromaticContact CZ2-CD2 3.7Å; W291-H295 AromaticContact NE1-CD2 3.27Å; W291-H295 PolarHBondContact NE1-CD2 2.83Å; W291-H295 VanDerWaalsContact NE1-CD2 3.27Å; W291-H295 AromaticContact NE1-NE2 3.26Å; W291-H295 PolarHBondContact NE1-NE2 3.2Å; W291-H295 PolarHBondContact O-CD2 3.45Å; W291-H295 PolarHBondContact O-N 3.42Å; L292-H295 PolarHBondContact O-N 2.92Å; L293-H295 VanDerWaalsContact C-N 3.34Å; H295-F297 PolarHBondContact O-N 3.45Å; H295-F297 VanDerWaalsContact O-N 3.11Å; H295-A298 PolarHBondContact O-N 3.02Å; H295-I299 HydrophobicContact CB-CD1 4.15Å; H295-I299 HydrophobicContact CB-CG1 4.29Å; H295-I299 WeakPolarHBondContact O-CG1 3.15Å; H295-I299 PolarHBondContact O-N 3.12Å
296H81.6Confident74.8Confident110 Ų110114.8 Ų114.851%0.50955%0.554SS.*Hα-helixtrans-49.9-43.1-175.3179.7-96.6000113.1L292 I299 M300L292-H296 PolarHBondContact O-N 3.31Å; L292-H296 VanDerWaalsContact O-N 3.12Å; H296-I299 PolarHBondContact O-N 3.26Å; H296-M300 WeakPolarHBondContact O-CB 3.1Å; H296-M300 WeakPolarHBondContact O-CG 3.24Å; H296-M300 PolarHBondContact O-N 3.48Å
297F81.7Confident77.4Confident160 Ų160115.9 Ų115.970%0.70255%0.553SS**Hα-helixtrans-63.1-46.3177.5-176.7-98000112.9H295 I299 M300 M301H295-F297 PolarHBondContact O-N 3.45Å; H295-F297 VanDerWaalsContact O-N 3.11Å; F297-I299 VanDerWaalsContact C-N 3.34Å; F297-I299 PolarHBondContact O-N 3.24Å; F297-M300 PolarHBondContact O-N 3.36Å; F297-M301 HydrophobicContact CD1-CG 4.45Å; F297-M301 HydrophobicContact CE1-CG 4.05Å; F297-M301 HydrophobicContact CZ-CG 4.08Å; F297-M301 WeakPolarHBondContact O-CB 3.19Å; F297-M301 WeakPolarHBondContact O-CG 3.42Å; F297-M301 PolarHBondContact O-N 3.39Å
298A84.3Confident79.5Confident51 Ų51107.8 Ų107.842%0.42153%0.528SS..Hα-helixtrans-64.8-40.3177.900000111.3H295 M301 S302H295-A298 PolarHBondContact O-N 3.02Å; A298-M301 PolarHBondContact O-N 2.88Å; A298-S302 WeakPolarHBondContact O-CB 3.49Å; A298-S302 PolarHBondContact O-N 3.42Å; A298-S302 PolarHBondContact O-OG 3.34Å; A298-S302 VanDerWaalsContact O-OG 3.08Å
299I89.3Confident81.3Confident42 Ų42107.7 Ų107.722%0.21552%0.518CS..Hα-helixtrans-66-43.6178.2-64.6173.7000110.9W291 L292 H295 H296 F297 M301 S302 L303W291-I299 HydrophobicContact CZ3-CD1 4.14Å; L292-I299 HydrophobicContact CB-CD1 4.45Å; L292-I299 HydrophobicContact CD2-CD1 3.8Å; L292-I299 HydrophobicContact CG-CD1 4.34Å; H295-I299 HydrophobicContact CB-CD1 4.15Å; H295-I299 HydrophobicContact CB-CG1 4.29Å; H295-I299 WeakPolarHBondContact O-CG1 3.15Å; H295-I299 PolarHBondContact O-N 3.12Å; H296-I299 PolarHBondContact O-N 3.26Å; F297-I299 VanDerWaalsContact C-N 3.34Å; F297-I299 PolarHBondContact O-N 3.24Å; I299-M301 VanDerWaalsContact C-N 3.33Å; I299-M301 PolarHBondContact O-N 2.83Å; I299-S302 PolarHBondContact O-N 2.87Å; I299-L303 HydrophobicContact CG2-CD1 3.89Å; I299-L303 WeakPolarHBondContact O-CB 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.48Å; I299-L303 PolarHBondContact O-N 3.45Å
300M90.1Very high83.2Confident95 Ų95104.1 Ų104.147%0.46851%0.508SS..Hα-helixtrans-63.1-38.9175.3-73-64.1-7000112H296 F297 Y304H296-M300 WeakPolarHBondContact O-CB 3.1Å; H296-M300 WeakPolarHBondContact O-CG 3.24Å; H296-M300 PolarHBondContact O-N 3.48Å; F297-M300 PolarHBondContact O-N 3.36Å; M300-Y304 VanDerWaalsContact O-CB 3.29Å; M300-Y304 WeakPolarHBondContact O-CB 3.31Å; M300-Y304 PolarHBondContact O-N 3.4Å
301M92.3Very high84.5Confident93 Ų93105.7 Ų105.746%0.45851%0.511SS..Hα-helixtrans-68.5-41.4175-75.8-65.597.300112.8F297 A298 I299 Y304 L305F297-M301 HydrophobicContact CD1-CG 4.45Å; F297-M301 HydrophobicContact CE1-CG 4.05Å; F297-M301 HydrophobicContact CZ-CG 4.08Å; F297-M301 WeakPolarHBondContact O-CB 3.19Å; F297-M301 WeakPolarHBondContact O-CG 3.42Å; F297-M301 PolarHBondContact O-N 3.39Å; A298-M301 PolarHBondContact O-N 2.88Å; I299-M301 VanDerWaalsContact C-N 3.33Å; I299-M301 PolarHBondContact O-N 2.83Å; M301-Y304 HydrophobicContact CE-CD1 4.48Å; M301-Y304 PolarHBondContact O-N 3.5Å; M301-L305 WeakPolarHBondContact O-CB 3.44Å; M301-L305 PolarHBondContact O-N 3.03Å
302S91.7Very high85.3Confident74 Ų7499.4 Ų99.452%0.51750%0.501SS..Hα-helixtrans-65.4-41.1174.6-620000112.3A298 I299 L305 L306A298-S302 WeakPolarHBondContact O-CB 3.49Å; A298-S302 PolarHBondContact O-N 3.42Å; A298-S302 PolarHBondContact O-OG 3.34Å; A298-S302 VanDerWaalsContact O-OG 3.08Å; I299-S302 PolarHBondContact O-N 2.87Å; S302-L305 PolarHBondContact O-N 2.87Å; S302-L306 WeakPolarHBondContact O-CB 3.21Å; S302-L306 WeakPolarHBondContact O-CG 3.37Å; S302-L306 PolarHBondContact O-N 3.25Å
303L93.3Very high86.2Confident97 Ų9795.6 Ų95.651%0.50849%0.485SS..Hα-helixtrans-63.4-42.2174.7-82.9163.7000111.8I299 L306 L307I299-L303 HydrophobicContact CG2-CD1 3.89Å; I299-L303 WeakPolarHBondContact O-CB 3.29Å; I299-L303 WeakPolarHBondContact O-CG 3.48Å; I299-L303 PolarHBondContact O-N 3.45Å; L303-L306 PolarHBondContact O-N 3.14Å; L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 PolarHBondContact O-N 3.44Å
304Y93.9Very high87Confident128 Ų12896.3 Ų96.350%0.50248%0.483SS..Hα-helixtrans-63.7-42.4176.2-178.4-109.8000111.9M300 M301 L306 L307 L308M300-Y304 VanDerWaalsContact O-CB 3.29Å; M300-Y304 WeakPolarHBondContact O-CB 3.31Å; M300-Y304 PolarHBondContact O-N 3.4Å; M301-Y304 HydrophobicContact CE-CD1 4.48Å; M301-Y304 PolarHBondContact O-N 3.5Å; Y304-L306 PolarHBondContact O-N 3.05Å; Y304-L307 WeakPolarHBondContact O-CB 3.43Å; Y304-L307 PolarHBondContact O-N 3.03Å; Y304-L308 HydrophobicContact CD1-CD1 4.04Å; Y304-L308 HydrophobicContact CE1-CD1 3.53Å; Y304-L308 HydrophobicContact CE1-CG 4.28Å; Y304-L308 WeakPolarHBondContact O-CG 3.35Å; Y304-L308 PolarHBondContact O-N 3.05Å
305L94Very high87.3Confident109 Ų10992.5 Ų92.557%0.57148%0.479SS*.Hα-helixtrans-63-42.8175.9-150.495.2000111.6M301 S302 L308 I309M301-L305 WeakPolarHBondContact O-CB 3.44Å; M301-L305 PolarHBondContact O-N 3.03Å; S302-L305 PolarHBondContact O-N 2.87Å; L305-L308 PolarHBondContact O-N 2.93Å; L305-I309 HydrophobicContact CD2-CD1 4.35Å; L305-I309 VanDerWaalsContact O-CG1 3.31Å; L305-I309 WeakPolarHBondContact O-CG1 3.29Å; L305-I309 PolarHBondContact O-N 3.1Å
306L93.8Very high87.3Confident91 Ų9191.1 Ų91.148%0.47648%0.477SS..Hα-helixtrans-61.3-43.2174.8-82.1165.3000111.7S302 L303 Y304 L308 I309 F310S302-L306 WeakPolarHBondContact O-CB 3.21Å; S302-L306 WeakPolarHBondContact O-CG 3.37Å; S302-L306 PolarHBondContact O-N 3.25Å; L303-L306 PolarHBondContact O-N 3.14Å; Y304-L306 PolarHBondContact O-N 3.05Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.01Å; L306-I309 PolarHBondContact O-N 3.04Å; L306-F310 VanDerWaalsContact O-CD2 3.23Å; L306-F310 WeakPolarHBondContact O-CD2 3.41Å; L306-F310 PolarHBondContact O-N 2.86Å
307L93.8Very high86.8Confident97 Ų9791.7 Ų91.751%0.50849%0.489SS..Hα-helixtrans-58.5-45.4176.1-170.498.1000111.2L303 Y304 I309 F310 I311L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 PolarHBondContact O-N 3.44Å; Y304-L307 WeakPolarHBondContact O-CB 3.43Å; Y304-L307 PolarHBondContact O-N 3.03Å; L307-I309 VanDerWaalsContact C-N 3.34Å; L307-I309 PolarHBondContact O-N 3.16Å; L307-F310 PolarHBondContact O-N 2.86Å; L307-I311 HydrophobicContact CD2-CD1 3.93Å; L307-I311 HydrophobicContact CG-CD1 3.98Å; L307-I311 VanDerWaalsContact O-CG1 3.29Å; L307-I311 WeakPolarHBondContact O-CG1 3.12Å; L307-I311 PolarHBondContact O-N 3.35Å
308L92.6Very high86.3Confident81 Ų8188.2 Ų88.242%0.42448%0.484SS..Hα-helixtrans-63.4-39.4177.1-70.7175.1000112.2Y304 L305 L306 I311 G312Y304-L308 HydrophobicContact CD1-CD1 4.04Å; Y304-L308 HydrophobicContact CE1-CD1 3.53Å; Y304-L308 HydrophobicContact CE1-CG 4.28Å; Y304-L308 WeakPolarHBondContact O-CG 3.35Å; Y304-L308 PolarHBondContact O-N 3.05Å; L305-L308 PolarHBondContact O-N 2.93Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.01Å; L308-I311 PolarHBondContact O-N 3.14Å; L308-G312 PolarHBondContact O-N 3.03Å
309I90.3Very high85.6Confident102 Ų10288.7 Ų88.752%0.52348%0.477SS..Hα-helixtrans-64.4-43.5174.9-68.1165.4000110.6L305 L306 L307 G312 A313L305-I309 HydrophobicContact CD2-CD1 4.35Å; L305-I309 VanDerWaalsContact O-CG1 3.31Å; L305-I309 WeakPolarHBondContact O-CG1 3.29Å; L305-I309 PolarHBondContact O-N 3.1Å; L306-I309 PolarHBondContact O-N 3.04Å; L307-I309 VanDerWaalsContact C-N 3.34Å; L307-I309 PolarHBondContact O-N 3.16Å; I309-G312 PolarHBondContact O-N 2.97Å; I309-A313 WeakPolarHBondContact O-CB 3.44Å; I309-A313 PolarHBondContact O-N 3.44Å
310F86.8Confident84.6Confident116 Ų11689.5 Ų89.551%0.50948%0.484SS..Hα-helixtrans-62.7-47.2176.5-87.5-68.6000111.7L306 L307 G312 A313 F314L306-F310 VanDerWaalsContact O-CD2 3.23Å; L306-F310 WeakPolarHBondContact O-CD2 3.41Å; L306-F310 PolarHBondContact O-N 2.86Å; L307-F310 PolarHBondContact O-N 2.86Å; F310-G312 VanDerWaalsContact C-N 3.3Å; F310-G312 PolarHBondContact O-N 3.37Å; F310-A313 PolarHBondContact O-N 3.4Å; F310-F314 HydrophobicContact CB-CD2 4.43Å; F310-F314 HydrophobicContact CD1-CD2 4.42Å; F310-F314 AromaticContact CD1-CE2 3.83Å; F310-F314 HydrophobicContact CD1-CE2 3.83Å; F310-F314 WeakPolarHBondContact O-CB 3.29Å; F310-F314 WeakPolarHBondContact O-CD2 3.29Å; F310-F314 PolarHBondContact O-N 3.19Å
311I86.8Confident83.7Confident93 Ų9388.5 Ų88.548%0.47749%0.486SS..Hα-helixtrans-59.8-43.6176.4-67.1165.8000110.3L307 L308 N315L307-I311 HydrophobicContact CD2-CD1 3.93Å; L307-I311 HydrophobicContact CG-CD1 3.98Å; L307-I311 VanDerWaalsContact O-CG1 3.29Å; L307-I311 WeakPolarHBondContact O-CG1 3.12Å; L307-I311 PolarHBondContact O-N 3.35Å; L308-I311 PolarHBondContact O-N 3.14Å; I311-N315 VanDerWaalsContact O-CB 3.28Å; I311-N315 WeakPolarHBondContact O-CB 3.33Å; I311-N315 PolarHBondContact O-N 2.51Å
312G84.4Confident83Confident44 Ų4489.7 Ų89.745%0.45449%0.489SS..Hα-helixtrans-62.5-41.2175.800000113.2L308 I309 F310 S316L308-G312 PolarHBondContact O-N 3.03Å; I309-G312 PolarHBondContact O-N 2.97Å; F310-G312 VanDerWaalsContact C-N 3.3Å; F310-G312 PolarHBondContact O-N 3.37Å; G312-S316 WeakPolarHBondContact O-CB 3.49Å; G312-S316 PolarHBondContact O-N 3.5Å; G312-S316 VanDerWaalsContact O-N 3.13Å
313A80.6Confident82Confident24 Ų2491.9 Ų91.920%0.19849%0.486CS..Hα-helixtrans-66.3-48.717700000111.4I309 F310 N315 S316 F319I309-A313 WeakPolarHBondContact O-CB 3.44Å; I309-A313 PolarHBondContact O-N 3.44Å; F310-A313 PolarHBondContact O-N 3.4Å; A313-N315 VanDerWaalsContact C-N 3.27Å; A313-N315 PolarHBondContact O-N 3.18Å; A313-S316 PolarHBondContact O-N 3.35Å; A313-S316 VanDerWaalsContact O-N 3.09Å; A313-S316 PolarHBondContact O-OG 2.82Å; A313-F319 HydrophobicContact CB-CD1 4.13Å; A313-F319 HydrophobicContact CB-CE1 4.39Å; A313-F319 HydrophobicContact CB-CG 4.22Å; A313-F319 VanDerWaalsContact O-CB 3.29Å; A313-F319 WeakPolarHBondContact O-CB 3.39Å; A313-F319 WeakPolarHBondContact O-CD1 3.24Å
314F77.6Confident81Confident128 Ų12892.3 Ų92.356%0.56149%0.489SS*.Hα-helixtrans-65.8-27.4179.3-79.7-67000113.7F310 F319 V320F310-F314 HydrophobicContact CB-CD2 4.43Å; F310-F314 HydrophobicContact CD1-CD2 4.42Å; F310-F314 AromaticContact CD1-CE2 3.83Å; F310-F314 HydrophobicContact CD1-CE2 3.83Å; F310-F314 WeakPolarHBondContact O-CB 3.29Å; F310-F314 WeakPolarHBondContact O-CD2 3.29Å; F310-F314 PolarHBondContact O-N 3.19Å; F314-F319 HydrophobicContact CD1-CE1 4.48Å; F314-F319 HydrophobicContact CE1-CE1 4.35Å; F314-V320 WeakPolarHBondContact O-CG2 3.45Å
315N74.6Confident80Confident139 Ų13996.7 Ų96.774%0.74350%0.504SS*.THydrogen-bonded Turntrans-89.7-4176.1-148.34.2000113I311 A313I311-N315 VanDerWaalsContact O-CB 3.28Å; I311-N315 WeakPolarHBondContact O-CB 3.33Å; I311-N315 PolarHBondContact O-N 2.51Å; A313-N315 VanDerWaalsContact C-N 3.27Å; A313-N315 PolarHBondContact O-N 3.18Å
316S80.1Confident79Confident40 Ų4096.7 Ų96.728%0.2850%0.504SS..  trans-86.2125.1175.777.60000110.8G312 A313 S318 F319 V320G312-S316 WeakPolarHBondContact O-CB 3.49Å; G312-S316 PolarHBondContact O-N 3.5Å; G312-S316 VanDerWaalsContact O-N 3.13Å; A313-S316 PolarHBondContact O-N 3.35Å; A313-S316 VanDerWaalsContact O-N 3.09Å; A313-S316 PolarHBondContact O-OG 2.82Å; S316-S318 PolarHBondContact O-N 3.36Å; S316-F319 PolarHBondContact O-N 3.49Å; S316-F319 WeakPolarHBondContact OG-CB 3.43Å; S316-F319 PolarHBondContact OG-N 3.09Å; S316-V320 PolarHBondContact O-N 3.5Å
317T70.6Confident77.7Confident121 Ų12199.4 Ų99.474%0.74251%0.512SS*.Hα-helixtrans-60.5-31178.750.30000112.2S321T317-S321 VanDerWaalsContact O-CB 3.32Å; T317-S321 WeakPolarHBondContact O-CB 3.5Å; T317-S321 PolarHBondContact O-N 3.22Å
318S71.9Confident75.7Confident87 Ų87108.6 Ų108.661%0.60854%0.54SS*.Hα-helixtrans-64.5-46.8176.3-54.10000113S316 S321 F322S316-S318 PolarHBondContact O-N 3.36Å; S318-S321 PolarHBondContact O-N 2.92Å; S318-S321 PolarHBondContact O-OG 3.33Å; S318-F322 PolarHBondContact O-N 2.79Å
319F70.3Confident74.9Confident61 Ų61110 Ų11027%0.26855%0.546SS..Hα-helixtrans-71.2-39.5-179.4-175.7-102000112A313 F314 S316 S321 F322 W323A313-F319 HydrophobicContact CB-CD1 4.13Å; A313-F319 HydrophobicContact CB-CE1 4.39Å; A313-F319 HydrophobicContact CB-CG 4.22Å; A313-F319 VanDerWaalsContact O-CB 3.29Å; A313-F319 WeakPolarHBondContact O-CB 3.39Å; A313-F319 WeakPolarHBondContact O-CD1 3.24Å; F314-F319 HydrophobicContact CD1-CE1 4.48Å; F314-F319 HydrophobicContact CE1-CE1 4.35Å; S316-F319 PolarHBondContact O-N 3.49Å; S316-F319 WeakPolarHBondContact OG-CB 3.43Å; S316-F319 PolarHBondContact OG-N 3.09Å; F319-S321 VanDerWaalsContact C-N 3.31Å; F319-S321 PolarHBondContact O-N 3.42Å; F319-F322 PolarHBondContact O-N 3.05Å; F319-W323 HydrophobicContact CE1-CE3 4.1Å; F319-W323 HydrophobicContact CE2-CE3 4.37Å; F319-W323 AromaticContact CZ-CE3 3.68Å; F319-W323 HydrophobicContact CZ-CE3 3.68Å; F319-W323 AromaticContact CZ-CZ3 3.99Å; F319-W323 HydrophobicContact CZ-CZ3 3.99Å; F319-W323 WeakPolarHBondContact O-CB 3.15Å; F319-W323 PolarHBondContact O-N 3.09Å
320V68Low74.1Confident60 Ų60110.4 Ų110.436%0.36455%0.547SS..Hα-helixtrans-61.9-40.3173.9176.50000110.9F314 S316 F322 W323 N324F314-V320 WeakPolarHBondContact O-CG2 3.45Å; S316-V320 PolarHBondContact O-N 3.5Å; V320-F322 VanDerWaalsContact C-N 3.35Å; V320-F322 PolarHBondContact O-N 2.96Å; V320-W323 PolarHBondContact O-N 3.2Å; V320-N324 WeakPolarHBondContact O-CB 3.3Å; V320-N324 VanDerWaalsContact O-CG 3.3Å; V320-N324 PolarHBondContact O-N 2.79Å; V320-N324 PolarHBondContact O-ND2 3.1Å
321S70.4Confident73.4Confident73 Ų73110.1 Ų110.151%0.5155%0.549SS..Hα-helixtrans-65.2-36.8176.182.90000112.9T317 S318 F319 R325T317-S321 VanDerWaalsContact O-CB 3.32Å; T317-S321 WeakPolarHBondContact O-CB 3.5Å; T317-S321 PolarHBondContact O-N 3.22Å; S318-S321 PolarHBondContact O-N 2.92Å; S318-S321 PolarHBondContact O-OG 3.33Å; F319-S321 VanDerWaalsContact C-N 3.31Å; F319-S321 PolarHBondContact O-N 3.42Å; S321-R325 WeakPolarHBondContact O-CB 3.49Å; S321-R325 PolarHBondContact O-N 2.86Å
322F76.6Confident72.6Confident119 Ų119111.1 Ų111.152%0.52255%0.554SS.*Hα-helixtrans-71.3-44.5177.3177.8-98.4000111.4S318 F319 V320 R325 L326S318-F322 PolarHBondContact O-N 2.79Å; F319-F322 PolarHBondContact O-N 3.05Å; V320-F322 VanDerWaalsContact C-N 3.35Å; V320-F322 PolarHBondContact O-N 2.96Å; F322-R325 WeakPolarHBondContact O-CB 3.48Å; F322-R325 PolarHBondContact O-N 3.2Å; F322-R325 VanDerWaalsContact O-N 3.11Å; F322-L326 HydrophobicContact CE1-CD1 4.19Å; F322-L326 HydrophobicContact CE2-CD1 4.34Å; F322-L326 HydrophobicContact CZ-CD1 3.84Å; F322-L326 PolarHBondContact O-N 3.14Å; F322-L326 VanDerWaalsContact O-N 3.13Å
323W71.9Confident71.9Confident120 Ų120115.3 Ų115.346%0.45556%0.56SS.*Hα-helixtrans-63.3-43.5179.5-162.4-89.7000112.3F319 V320 R325 L326 F327F319-W323 HydrophobicContact CE1-CE3 4.1Å; F319-W323 HydrophobicContact CE2-CE3 4.37Å; F319-W323 AromaticContact CZ-CE3 3.68Å; F319-W323 HydrophobicContact CZ-CE3 3.68Å; F319-W323 AromaticContact CZ-CZ3 3.99Å; F319-W323 HydrophobicContact CZ-CZ3 3.99Å; F319-W323 WeakPolarHBondContact O-CB 3.15Å; F319-W323 PolarHBondContact O-N 3.09Å; V320-W323 PolarHBondContact O-N 3.2Å; W323-R325 PolarHBondContact O-N 3.13Å; W323-L326 PolarHBondContact O-N 3.33Å; W323-F327 HydrophobicContact CD2-CD2 4.3Å; W323-F327 HydrophobicContact CD2-CE2 4.31Å; W323-F327 AromaticContact CE2-CD2 3.84Å; W323-F327 AromaticContact CE2-CE2 3.73Å; W323-F327 HydrophobicContact CH2-CE2 4.1Å; W323-F327 HydrophobicContact CZ2-CD2 4.2Å; W323-F327 AromaticContact CZ2-CE2 3.62Å; W323-F327 HydrophobicContact CZ2-CE2 3.62Å; W323-F327 HydrophobicContact CZ2-CZ 4.39Å; W323-F327 AromaticContact NE1-CD2 3.74Å; W323-F327 PolarHBondContact O-N 2.94Å
324N72.9Confident71.3Confident106 Ų106121.3 Ų121.357%0.56758%0.584SS**Hα-helixtrans-66.3-18.8175.3-73.3-17.2000113.5V320V320-N324 WeakPolarHBondContact O-CB 3.3Å; V320-N324 VanDerWaalsContact O-CG 3.3Å; V320-N324 PolarHBondContact O-N 2.79Å; V320-N324 PolarHBondContact O-ND2 3.1Å
325R72.5Confident70.8Confident219 Ų219120.9 Ų120.983%0.82659%0.586SS**Hα-helixtrans-90-21.4177.5-155.6175.3-178.3-176.8-0.2112.6S321 F322 W323S321-R325 WeakPolarHBondContact O-CB 3.49Å; S321-R325 PolarHBondContact O-N 2.86Å; F322-R325 WeakPolarHBondContact O-CB 3.48Å; F322-R325 PolarHBondContact O-N 3.2Å; F322-R325 VanDerWaalsContact O-N 3.11Å; W323-R325 PolarHBondContact O-N 3.13Å
326L72.8Confident70.5Confident109 Ų109119.5 Ų119.557%0.57157%0.574SS**Hα-helixtrans-89.5-27.3-179.8-143.895.7000113F322 W323F322-L326 HydrophobicContact CE1-CD1 4.19Å; F322-L326 HydrophobicContact CE2-CD1 4.34Å; F322-L326 HydrophobicContact CZ-CD1 3.84Å; F322-L326 PolarHBondContact O-N 3.14Å; F322-L326 VanDerWaalsContact O-N 3.13Å; W323-L326 PolarHBondContact O-N 3.33Å
327F66.2Low69.8Low148 Ų148126.1 Ų126.165%0.64960%0.598SS**  trans-113.630.4-177.4-75.7-79.1000113.6W323W323-F327 HydrophobicContact CD2-CD2 4.3Å; W323-F327 HydrophobicContact CD2-CE2 4.31Å; W323-F327 AromaticContact CE2-CD2 3.84Å; W323-F327 AromaticContact CE2-CE2 3.73Å; W323-F327 HydrophobicContact CH2-CE2 4.1Å; W323-F327 HydrophobicContact CZ2-CD2 4.2Å; W323-F327 AromaticContact CZ2-CE2 3.62Å; W323-F327 HydrophobicContact CZ2-CE2 3.62Å; W323-F327 HydrophobicContact CZ2-CZ 4.39Å; W323-F327 AromaticContact NE1-CD2 3.74Å; W323-F327 PolarHBondContact O-N 2.94Å
328R52.8Low69.7Low290 Ų290126.5 Ų126.5100%1.09459%0.585SS**  trans-108.80170.3-158.8-179.8-165.2-171.64.7111.5

Retrieved 328 of 328 residues in 231.3 ms (Link to these results)

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