A0A087YC55_POEFO Loading...

Zinc finger CCHC-type and RNA-binding motif-containing protein 1

AlphaFold DB , UniProt , Accession A0A087YC55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 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
1M37.4Very low58.4Low247 Ų24785.1 Ų85.1100%1.21755%0.545SS*.  092.10-68.4173.7172.700108.7G3M1-G3 PolarHBondContact O-N 3.45Å
2S36.8Very low61.4Low120 Ų12078 Ų7884%0.83950%0.5SS*.  trans-92.385.7168.253.90000106.9
3G38.8Very low64Low55 Ų5577.7 Ų77.757%0.56748%0.484SS*.  trans-50.8144.8179.500000111.2M1 L5M1-G3 PolarHBondContact O-N 3.45Å; G3-L5 WeakPolarHBondContact O-CD1 3.22Å; G3-L5 PolarHBondContact O-N 3.07Å
4G43.2Very low66.2Low81 Ų8172.1 Ų72.184%0.83545%0.449SS*.  trans-56.894.3-173.900000113.3A6G4-A6 VanDerWaalsContact C-N 3.34Å; G4-A6 PolarHBondContact O-N 3.35Å
5L47.7Very low68Low119 Ų11968.9 Ų68.962%0.62343%0.43SS*.  trans-60.999.8165-86.681.9000107.2G3 P7G3-L5 WeakPolarHBondContact O-CD1 3.22Å; G3-L5 PolarHBondContact O-N 3.07Å; L5-P7 WeakPolarHBondContact O-CD 3.42Å; L5-P7 VanDerWaalsContact O-N 3.08Å
6A52.2Low69.7Low70 Ų7070 Ų7058%0.57943%0.432SS*.  trans-58.2107.8156.900000106.3G4 S8G4-A6 VanDerWaalsContact C-N 3.34Å; G4-A6 PolarHBondContact O-N 3.35Å; A6-S8 PolarHBondContact O-N 3.26Å
7P58.9Low71Confident66 Ų6666.2 Ų66.243%0.42941%0.409SS..THydrogen-bonded Turntrans-78.927.9-17034.8-34.5000111.6L5 T11L5-P7 WeakPolarHBondContact O-CD 3.42Å; L5-P7 VanDerWaalsContact O-N 3.08Å; P7-T11 VanDerWaalsContact C-OG1 3.26Å; P7-T11 WeakPolarHBondContact O-CB 3.38Å; P7-T11 PolarHBondContact O-OG1 3.36Å
8S65.9Low72.2Confident18 Ų1863.1 Ų63.113%0.12639%0.389CS..THydrogen-bonded Turntrans-101.8-50.6-177.453.50000112.2A6 S10 T11 D88A6-S8 PolarHBondContact O-N 3.26Å; S8-S10 PolarHBondContact O-N 2.9Å; S8-T11 PolarHBondContact O-N 2.97Å; S8-D88 WeakPolarHBondContact CB-OD1 3.44Å; S8-D88 PolarHBondContact OG-OD1 3.44Å
9K79.8Confident73.2Confident124 Ų12466.1 Ų66.154%0.53940%0.396SS..THydrogen-bonded Turntrans-72.3-28.6-169.8-62.1-179.1-176.1177.40114.6R61K9-R61 HydrophobicContact CB-CG 4.42Å
10S90.4Very high74Confident25 Ų2567.6 Ų67.618%0.17541%0.41CS..THydrogen-bonded Turntrans-102.49.1179.4-49.90000113.1S8 F58S8-S10 PolarHBondContact O-N 2.9Å; S10-F58 PolarHBondContact O-N 3.38Å
11T91.8Very high74.8Confident11 Ų1164.9 Ų64.97%0.06739%0.394CS..EExtended strand (participates in β ladder)trans-109.9130.2-176.2-46.40000109.7P7 S8 F55 V56 L57 A86P7-T11 VanDerWaalsContact C-OG1 3.26Å; P7-T11 WeakPolarHBondContact O-CB 3.38Å; P7-T11 PolarHBondContact O-OG1 3.36Å; S8-T11 PolarHBondContact O-N 2.97Å; T11-F55 HydrophobicContact CG2-CB 4.24Å; T11-F55 HydrophobicContact CG2-CD1 4.43Å; T11-V56 CarbonylContact C-O 3.6Å; T11-V56 VanDerWaalsContact CA-O 3.32Å; T11-V56 WeakPolarHBondContact CA-O 3.43Å; T11-L57 VanDerWaalsContact OG1-CD1 3.31Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.42Å; T11-A86 HydrophobicContact CG2-CB 4.08Å; T11-A86 WeakPolarHBondContact O-CB 3.4Å; T11-A86 PolarHBondContact O-N 3.41Å
12V94.3Very high77.4Confident0 Ų056.3 Ų56.30%036%0.355CS..EExtended strand (participates in β ladder)trans-101.7129.9178.2-177.20000108.7V14 F55 V56 F58 A64 C67 A68 A83 S84V12-V14 HydrophobicContact CG1-CG2 3.91Å; V12-F55 WeakPolarHBondContact O-CA 3.33Å; V12-V56 PolarHBondContact N-O 3.5Å; V12-V56 PolarHBondContact O-N 3.31Å; V12-F58 HydrophobicContact CB-CE2 4.17Å; V12-F58 HydrophobicContact CG2-CD2 3.86Å; V12-F58 HydrophobicContact CG2-CE2 3.58Å; V12-A64 HydrophobicContact CG2-CB 3.69Å; V12-A64 VanDerWaalsContact CG2-O 3.3Å; V12-A64 WeakPolarHBondContact CG2-O 2.98Å; V12-C67 HydrophobicContact CG2-CB 4.35Å; V12-A68 HydrophobicContact CG1-CB 4.35Å; V12-A83 HydrophobicContact CG1-CB 4.27Å; V12-S84 WeakPolarHBondContact CA-O 3.35Å
13Y94.4Very high80Confident74 Ų7453.9 Ų53.929%0.2933%0.333SS..EExtended strand (participates in β ladder)trans-90125168.1172.5-97.5000108.8V53 F55 A83 S84Y13-V53 HydrophobicContact CD2-CG1 3.97Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; Y13-F55 HydrophobicContact CD2-CD1 4.29Å; Y13-F55 AromaticContact CD2-CE1 3.64Å; Y13-F55 HydrophobicContact CD2-CE1 3.64Å; Y13-F55 AromaticContact CD2-CZ 3.83Å; Y13-F55 HydrophobicContact CD2-CZ 3.83Å; Y13-F55 HydrophobicContact CE2-CE1 4.5Å; Y13-F55 HydrophobicContact CE2-CZ 4.27Å; Y13-F55 HydrophobicContact CG-CE1 4.48Å; Y13-A83 CarbonylContact O-C 3.56Å; Y13-A83 VanDerWaalsContact O-CA 3.31Å; Y13-A83 WeakPolarHBondContact O-CA 3.39Å; Y13-S84 PolarHBondContact N-O 3.29Å; Y13-S84 PolarHBondContact O-N 3.45Å
14V94.8Very high82.7Confident0 Ų054.9 Ų54.90%033%0.331CS..EExtended strand (participates in β ladder)trans-122127.2177.5-170.10000108.8V12 L17 F30 V53 A54 K82 A83V12-V14 HydrophobicContact CG1-CG2 3.91Å; V14-L17 HydrophobicContact CB-CD1 4.08Å; V14-L17 HydrophobicContact CG1-CD1 3.85Å; V14-L17 HydrophobicContact CG1-CD2 3.88Å; V14-L17 HydrophobicContact CG1-CG 3.85Å; V14-F30 HydrophobicContact CG1-CZ 4.29Å; V14-F30 HydrophobicContact CG2-CE1 4.35Å; V14-F30 HydrophobicContact CG2-CE2 4.43Å; V14-F30 HydrophobicContact CG2-CZ 3.81Å; V14-V53 WeakPolarHBondContact O-CA 3.36Å; V14-A54 PolarHBondContact N-O 3.49Å; V14-A54 PolarHBondContact O-N 3.05Å; V14-K82 CarbonylContact C-O 3.57Å; V14-K82 WeakPolarHBondContact CA-O 3.4Å; V14-A83 HydrophobicContact CG2-CB 4.46Å
15S94.1Very high85Confident24 Ų2453.6 Ų53.617%0.16831%0.305CS..EExtended strand (participates in β ladder)trans-124164.2-179.866.40000112.8L17 K82S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.2Å; S15-K82 PolarHBondContact N-O 3.17Å; S15-K82 PolarHBondContact O-N 3.45Å; S15-K82 VanDerWaalsContact O-N 3.11Å
16N94.1Very high87.2Confident86 Ų8648 Ų4846%0.4628%0.275SS..SBendtrans63.132.8-175.8-15744.5000113.8G52 T80N16-G52 PolarHBondContact N-O 2.94Å; N16-G52 VanDerWaalsContact N-O 3.12Å; N16-T80 PolarHBondContact ND2-O 2.85Å
17L93.2Very high89.2Confident6 Ų648.4 Ų48.43%0.03127%0.266CS..  trans-74.2146.2174.8-70.4166.4000111.2V14 S15 L21 L26 G52 A54 L76 V81V14-L17 HydrophobicContact CB-CD1 4.08Å; V14-L17 HydrophobicContact CG1-CD1 3.85Å; V14-L17 HydrophobicContact CG1-CD2 3.88Å; V14-L17 HydrophobicContact CG1-CG 3.85Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.2Å; L17-L21 HydrophobicContact CD2-CD1 4.01Å; L17-L26 HydrophobicContact CD1-CD1 4.22Å; L17-L26 HydrophobicContact CD1-CD2 4.05Å; L17-L26 HydrophobicContact CD2-CD2 4.09Å; L17-G52 PolarHBondContact N-O 3.48Å; L17-G52 WeakPolarHBondContact O-CA 3.22Å; L17-A54 HydrophobicContact CD1-CB 3.6Å; L17-L76 HydrophobicContact CD2-CD1 4.45Å; L17-V81 HydrophobicContact CD2-CG1 3.8Å; L17-V81 HydrophobicContact CG-CG1 4.45Å
18P91.7Very high90.9Very high10 Ų1052.7 Ų52.77%0.06528%0.277CS..  trans-62.9141.7169.729.7-38.1000111.4S20 L21 F77P18-S20 PolarHBondContact O-N 3.35Å; P18-L21 HydrophobicContact CG-CB 4.41Å; P18-L21 HydrophobicContact CG-CD1 3.42Å; P18-L21 VanDerWaalsContact CG-CD1 3.42Å; P18-L21 HydrophobicContact CG-CG 3.7Å; P18-L21 PolarHBondContact O-N 3.29Å; P18-F77 HydrophobicContact CG-CB 4.11Å; P18-F77 HydrophobicContact CG-CD2 3.95Å; P18-F77 HydrophobicContact CG-CG 4.31Å
19F91.1Very high92.2Very high119 Ų11954.9 Ų54.952%0.52229%0.287SS..THydrogen-bonded Turntrans-69.1-17.8-177.2-54.7-57.1000113.7L21 S50F19-L21 VanDerWaalsContact C-N 3.31Å; F19-S50 WeakPolarHBondContact CD1-O 3.29Å; F19-S50 WeakPolarHBondContact CE1-O 3.46Å
20S89.7Confident92.8Very high96 Ų9649.1 Ų49.167%0.67126%0.262SS*.THydrogen-bonded Turntrans-72.5-19.9175.851.10000113.5P18 T22P18-S20 PolarHBondContact O-N 3.35Å; S20-T22 PolarHBondContact O-N 2.93Å
21L90.2Very high93Very high12 Ų1251.3 Ų51.36%0.06328%0.275CS..  trans-71.3129.7-177.7-83.2172.1000111.9L17 P18 F19 D25 L26 L29 F77L17-L21 HydrophobicContact CD2-CD1 4.01Å; P18-L21 HydrophobicContact CG-CB 4.41Å; P18-L21 HydrophobicContact CG-CD1 3.42Å; P18-L21 VanDerWaalsContact CG-CD1 3.42Å; P18-L21 HydrophobicContact CG-CG 3.7Å; P18-L21 PolarHBondContact O-N 3.29Å; F19-L21 VanDerWaalsContact C-N 3.31Å; L21-D25 HydrophobicContact CD2-CB 3.5Å; L21-D25 VanDerWaalsContact CD2-CB 3.5Å; L21-L26 HydrophobicContact CB-CD2 4.27Å; L21-L26 HydrophobicContact CD1-CD2 3.81Å; L21-L26 HydrophobicContact CG-CD2 4.48Å; L21-L29 HydrophobicContact CD2-CD1 4.25Å; L21-F77 HydrophobicContact CD1-CD2 4.07Å; L21-F77 HydrophobicContact CD1-CE2 3.95Å; L21-F77 HydrophobicContact CD2-CD2 4.42Å; L21-F77 HydrophobicContact CD2-CE2 3.69Å; L21-F77 HydrophobicContact CD2-CZ 4.08Å; L21-F77 HydrophobicContact CG-CD2 4.38Å; L21-F77 HydrophobicContact CG-CE2 4.12Å
22T92.6Very high93.1Very high67 Ų6759.1 Ų59.141%0.41131%0.308SS..  trans-94167.6176.172.40000111.6S20 S24 D25 L26S20-T22 PolarHBondContact O-N 2.93Å; T22-S24 PolarHBondContact O-N 2.95Å; T22-S24 PolarHBondContact OG1-N 3.49Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 PolarHBondContact N-OD2 2.99Å; T22-D25 PolarHBondContact O-N 2.91Å; T22-D25 PolarHBondContact OG1-N 3.31Å; T22-D25 PolarHBondContact OG1-OD2 3.2Å; T22-L26 WeakPolarHBondContact O-CG 3.46Å; T22-L26 PolarHBondContact O-N 2.94Å
23N92.3Very high93Very high68 Ų6861.3 Ų61.336%0.36432%0.316SS..Hα-helixtrans-59.2-34.7174.7-70.1-58.6000111.7H27 I41N23-H27 WeakPolarHBondContact O-CB 3.45Å; N23-H27 PolarHBondContact O-N 3.32Å; N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 WeakPolarHBondContact OD1-CD1 2.99Å; N23-I41 VanDerWaalsContact OD1-CG1 3.27Å; N23-I41 WeakPolarHBondContact OD1-CG1 2.79Å; N23-I41 PolarHBondContact OD1-N 2.95Å
24S93.8Very high92.9Very high76 Ų7658.8 Ų58.853%0.53131%0.313SS..Hα-helixtrans-66.2-40.8179.8-53.40000111.8T22 H27 K28T22-S24 PolarHBondContact O-N 2.95Å; T22-S24 PolarHBondContact OG1-N 3.49Å; S24-H27 WeakPolarHBondContact O-CB 3.38Å; S24-H27 PolarHBondContact O-N 3.21Å; S24-K28 WeakPolarHBondContact O-CG 3.33Å; S24-K28 PolarHBondContact O-N 3.38Å; S24-K28 VanDerWaalsContact O-N 3.08Å
25D93.2Very high92.8Very high54 Ų5466.1 Ų66.129%0.28935%0.345SS..Hα-helixtrans-69-45.1179.9-54-41.6000111.1L21 T22 H27 K28 L29L21-D25 HydrophobicContact CD2-CB 3.5Å; L21-D25 VanDerWaalsContact CD2-CB 3.5Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 PolarHBondContact N-OD2 2.99Å; T22-D25 PolarHBondContact O-N 2.91Å; T22-D25 PolarHBondContact OG1-N 3.31Å; T22-D25 PolarHBondContact OG1-OD2 3.2Å; D25-H27 VanDerWaalsContact C-N 3.27Å; D25-H27 PolarHBondContact O-N 3.49Å; D25-K28 PolarHBondContact O-N 3.5Å; D25-L29 WeakPolarHBondContact O-CB 3.45Å; D25-L29 VanDerWaalsContact O-CG 3.29Å; D25-L29 WeakPolarHBondContact O-CG 3.45Å; D25-L29 PolarHBondContact O-N 3.41Å
26L93.4Very high92.8Very high1 Ų165.9 Ų65.91%0.00534%0.343CS..Hα-helixtrans-59.7-41.7174.8-64.7-179.2000110.9L17 L21 T22 K28 L29 F30 V39 I41 A54L17-L26 HydrophobicContact CD1-CD1 4.22Å; L17-L26 HydrophobicContact CD1-CD2 4.05Å; L17-L26 HydrophobicContact CD2-CD2 4.09Å; L21-L26 HydrophobicContact CB-CD2 4.27Å; L21-L26 HydrophobicContact CD1-CD2 3.81Å; L21-L26 HydrophobicContact CG-CD2 4.48Å; T22-L26 WeakPolarHBondContact O-CG 3.46Å; T22-L26 PolarHBondContact O-N 2.94Å; L26-K28 PolarHBondContact O-N 2.86Å; L26-L29 PolarHBondContact O-N 2.87Å; L26-F30 HydrophobicContact CB-CD2 4.1Å; L26-F30 HydrophobicContact CB-CE2 4.06Å; L26-F30 HydrophobicContact CD2-CE2 3.91Å; L26-F30 HydrophobicContact CG-CE2 4.48Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 WeakPolarHBondContact O-CD2 3.37Å; L26-F30 PolarHBondContact O-N 3.34Å; L26-V39 HydrophobicContact CB-CG1 3.91Å; L26-V39 HydrophobicContact CD1-CG1 3.95Å; L26-I41 HydrophobicContact CD1-CD1 3.76Å; L26-I41 HydrophobicContact CD1-CG1 3.61Å; L26-A54 HydrophobicContact CD1-CB 3.65Å
27H94.6Very high92.7Very high80 Ų8065.7 Ų65.737%0.3734%0.344SS..Hα-helixtrans-56.7-51.8175.7-169.3-82.2000111N23 S24 D25 L29 F30 T31 V39N23-H27 WeakPolarHBondContact O-CB 3.45Å; N23-H27 PolarHBondContact O-N 3.32Å; S24-H27 WeakPolarHBondContact O-CB 3.38Å; S24-H27 PolarHBondContact O-N 3.21Å; D25-H27 VanDerWaalsContact C-N 3.27Å; D25-H27 PolarHBondContact O-N 3.49Å; H27-L29 PolarHBondContact O-N 3.33Å; H27-F30 PolarHBondContact O-N 3.04Å; H27-T31 PolarHBondContact O-N 3.46Å; H27-T31 PolarHBondContact O-OG1 2.86Å; H27-V39 HydrophobicContact CB-CG2 4.21Å
28K94.1Very high92.5Very high155 Ų15571.4 Ų71.467%0.67437%0.369SS*.Hα-helixtrans-59.1-44.9178.3-68.3173.6-176.1177.90112.7S24 D25 L26 F30S24-K28 WeakPolarHBondContact O-CG 3.33Å; S24-K28 PolarHBondContact O-N 3.38Å; S24-K28 VanDerWaalsContact O-N 3.08Å; D25-K28 PolarHBondContact O-N 3.5Å; L26-K28 PolarHBondContact O-N 2.86Å; K28-F30 VanDerWaalsContact C-N 3.35Å; K28-F30 PolarHBondContact O-N 3.46Å
29L92.7Very high92.6Very high65 Ų6572 Ų7234%0.3437%0.372SS..Hα-helixtrans-63.7-39.2-179.5-71.6170.3000112.5L21 D25 L26 H27 F77L21-L29 HydrophobicContact CD2-CD1 4.25Å; D25-L29 WeakPolarHBondContact O-CB 3.45Å; D25-L29 VanDerWaalsContact O-CG 3.29Å; D25-L29 WeakPolarHBondContact O-CG 3.45Å; D25-L29 PolarHBondContact O-N 3.41Å; L26-L29 PolarHBondContact O-N 2.87Å; H27-L29 PolarHBondContact O-N 3.33Å; L29-F77 HydrophobicContact CD1-CE2 4.35Å
30F92.8Very high92.7Very high3 Ų369.3 Ų69.31%0.01337%0.365CS..Hα-helixtrans-87.6-18.6-175.7-67.8-59000114.1V14 L26 H27 K28 K32 Y33 V36 V56 F58 C67 V71V14-F30 HydrophobicContact CG1-CZ 4.29Å; V14-F30 HydrophobicContact CG2-CE1 4.35Å; V14-F30 HydrophobicContact CG2-CE2 4.43Å; V14-F30 HydrophobicContact CG2-CZ 3.81Å; L26-F30 HydrophobicContact CB-CD2 4.1Å; L26-F30 HydrophobicContact CB-CE2 4.06Å; L26-F30 HydrophobicContact CD2-CE2 3.91Å; L26-F30 HydrophobicContact CG-CE2 4.48Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 WeakPolarHBondContact O-CD2 3.37Å; L26-F30 PolarHBondContact O-N 3.34Å; H27-F30 PolarHBondContact O-N 3.04Å; K28-F30 VanDerWaalsContact C-N 3.35Å; K28-F30 PolarHBondContact O-N 3.46Å; F30-K32 PolarHBondContact O-N 2.94Å; F30-K32 VanDerWaalsContact O-N 3.13Å; F30-Y33 HydrophobicContact CD1-CD2 4.18Å; F30-Y33 HydrophobicContact CD1-CE2 4.35Å; F30-Y33 PolarHBondContact O-N 3.47Å; F30-V36 HydrophobicContact CB-CG2 3.95Å; F30-V56 HydrophobicContact CB-CG1 4.26Å; F30-V56 HydrophobicContact CD2-CG1 4.29Å; F30-V56 HydrophobicContact CD2-CG2 3.64Å; F30-V56 HydrophobicContact CE2-CG2 3.75Å; F30-V56 HydrophobicContact CG-CG1 4.37Å; F30-V56 HydrophobicContact CG-CG2 4.36Å; F30-F58 HydrophobicContact CB-CE1 4.44Å; F30-F58 HydrophobicContact CB-CZ 4.01Å; F30-C67 WeakPolarHBondContact CD1-SG 3.26Å; F30-V71 HydrophobicContact CE1-CG1 4.2Å; F30-V71 HydrophobicContact CE1-CG2 4.02Å
31T94.3Very high92.9Very high71 Ų7165.8 Ų65.844%0.43634%0.339SS..Hα-helixtrans-54.4-30.4172.9-62.10000112.6H27 Y33 G34H27-T31 PolarHBondContact O-N 3.46Å; H27-T31 PolarHBondContact O-OG1 2.86Å; T31-Y33 PolarHBondContact O-N 3.5Å; T31-G34 WeakPolarHBondContact CA-O 3.17Å; T31-G34 PolarHBondContact O-N 2.99Å
32K93.6Very high92.9Very high175 Ų17567.3 Ų67.376%0.76135%0.349SS*.THydrogen-bonded Turntrans-56.8-31.1176.1173.8172.3177.9170.10113.6F30F30-K32 PolarHBondContact O-N 2.94Å; F30-K32 VanDerWaalsContact O-N 3.13Å
33Y92.4Very high93Very high45 Ų4569.6 Ų69.618%0.17635%0.353CS..THydrogen-bonded Turntrans-94.6-14.9-175.8-54.9-73.7000112.8F30 T31 C67 A70 V71 K74F30-Y33 HydrophobicContact CD1-CD2 4.18Å; F30-Y33 HydrophobicContact CD1-CE2 4.35Å; F30-Y33 PolarHBondContact O-N 3.47Å; T31-Y33 PolarHBondContact O-N 3.5Å; Y33-C67 HydrophobicContact CD2-CB 4.28Å; Y33-C67 HydrophobicContact CG-CB 4.05Å; Y33-A70 HydrophobicContact CD1-CB 4.02Å; Y33-A70 HydrophobicContact CE1-CB 3.45Å; Y33-A70 VanDerWaalsContact CE1-CB 3.45Å; Y33-V71 HydrophobicContact CD2-CG2 4.32Å; Y33-V71 HydrophobicContact CE2-CG2 3.57Å; Y33-K74 PolarHBondContact OH-NZ 3.39Å
34G92.6Very high93Very high22 Ų2268.3 Ų68.323%0.22735%0.346CS..SBendtrans159.8-179.7176.700000113.2T31 V36T31-G34 WeakPolarHBondContact CA-O 3.17Å; T31-G34 PolarHBondContact O-N 2.99Å; G34-V36 PolarHBondContact O-N 3.5Å
35K93.1Very high92.9Very high153 Ų15373.6 Ų73.667%0.66536%0.359SS*.  trans-71.1114.5180-67.9177.8-177.8172.80110.7L59K35-L59 HydrophobicContact CB-CB 4.23Å; K35-L59 HydrophobicContact CD-CD2 4.27Å; K35-L59 PolarHBondContact O-N 3.33Å
36V93.4Very high92.9Very high20 Ų2080 Ų8012%0.12139%0.385CS..EExtended strand (participates in β ladder)trans-84.7129.8176.3-178.70000109.4F30 G34 V39 V56 F58F30-V36 HydrophobicContact CB-CG2 3.95Å; G34-V36 PolarHBondContact O-N 3.5Å; V36-V39 HydrophobicContact CG1-CG2 3.67Å; V36-V56 HydrophobicContact CG1-CG1 3.86Å; V36-V56 HydrophobicContact CG2-CG1 4.22Å; V36-F58 HydrophobicContact CG2-CD1 4.13Å; V36-F58 HydrophobicContact CG2-CE1 3.71Å; V36-F58 HydrophobicContact CG2-CZ 4.32Å
37V91.9Very high92.9Very high81 Ų8183.9 Ų83.949%0.49141%0.409SS..EExtended strand (participates in β ladder)trans-93.8-43.7177.5177.50000110.5L57 L59V37-L57 HydrophobicContact CB-CD2 4.06Å; V37-L57 HydrophobicContact CB-CG 4.1Å; V37-L57 HydrophobicContact CG1-CD2 3.93Å; V37-L57 PolarHBondContact N-O 2.83Å; V37-L59 HydrophobicContact CG2-CB 3.94Å; V37-L59 HydrophobicContact CG2-CD1 4.1Å
38K90.1Very high92.6Very high127 Ų12789.7 Ų89.755%0.55243%0.427SS*.EExtended strand (participates in β ladder)trans-154.8137.1-177.2-174.3172.1179.71730111.5L57K38-L57 HydrophobicContact CB-CB 4.21Å; K38-L57 HydrophobicContact CB-CD2 4.37Å; K38-L57 PolarHBondContact N-O 3Å; K38-L57 PolarHBondContact O-N 3.05Å
39V93.2Very high92.4Very high22 Ų2288.7 Ų88.713%0.13343%0.425CS..EExtended strand (participates in β ladder)trans-111.5135.8169.5-176.60000108.7L26 H27 V36 V56L26-V39 HydrophobicContact CB-CG1 3.91Å; L26-V39 HydrophobicContact CD1-CG1 3.95Å; H27-V39 HydrophobicContact CB-CG2 4.21Å; V36-V39 HydrophobicContact CG1-CG2 3.67Å; V39-V56 HydrophobicContact CG1-CG2 4.48Å; V39-V56 HydrophobicContact CG2-CG1 4.38Å
40T92.1Very high92.4Very high62 Ų6286.7 Ų86.738%0.3842%0.417SS..EExtended strand (participates in β ladder)trans-135.1108.3176.4-55.70000109.9A54 F55T40-A54 WeakPolarHBondContact O-CA 3.21Å; T40-F55 PolarHBondContact N-O 3.29Å; T40-F55 PolarHBondContact O-N 3.06Å
41I93.8Very high92.4Very high22 Ų2292 Ų9211%0.11344%0.44CS..EExtended strand (participates in β ladder)trans-80.6130.4171.1-64.5166.4000109.5N23 L26 K43 A54N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 WeakPolarHBondContact OD1-CD1 2.99Å; N23-I41 VanDerWaalsContact OD1-CG1 3.27Å; N23-I41 WeakPolarHBondContact OD1-CG1 2.79Å; N23-I41 PolarHBondContact OD1-N 2.95Å; L26-I41 HydrophobicContact CD1-CD1 3.76Å; L26-I41 HydrophobicContact CD1-CG1 3.61Å; I41-K43 HydrophobicContact CG2-CG 4.33Å; I41-K43 PolarHBondContact O-N 3.21Å; I41-A54 HydrophobicContact CG1-CB 4.17Å
42V92.1Very high92.3Very high44 Ų4488.8 Ų88.827%0.26742%0.421SS..EExtended strand (participates in β ladder)trans-76.4117.9173.7-175.70000108.4K51 V53 F55V42-K51 HydrophobicContact CG1-CB 4.49Å; V42-K51 HydrophobicContact CG1-CD 4.11Å; V42-K51 HydrophobicContact CG1-CG 4.4Å; V42-K51 PolarHBondContact O-N 2.9Å; V42-V53 HydrophobicContact CB-CB 4.28Å; V42-V53 HydrophobicContact CG2-CB 4.3Å; V42-V53 HydrophobicContact CG2-CG1 3.99Å; V42-V53 PolarHBondContact N-O 2.97Å; V42-F55 HydrophobicContact CG2-CD2 3.79Å; V42-F55 HydrophobicContact CG2-CE2 3.5Å
43K93.1Very high92.3Very high115 Ų11581.7 Ų81.750%0.539%0.392SS..EExtended strand (participates in β ladder)trans-109.3149.7174.9-62.4-175.9177.2-169.50110.2I41 Q49I41-K43 HydrophobicContact CG2-CG 4.33Å; I41-K43 PolarHBondContact O-N 3.21Å; K43-Q49 CarbonylContact C-O 3.59Å; K43-Q49 VanDerWaalsContact CA-O 3.3Å; K43-Q49 WeakPolarHBondContact CA-O 3.41Å
44D93.4Very high92.4Very high42 Ų4279.5 Ų79.523%0.22538%0.384CS..  trans-72.4145.9171.3-168.138.7000111.5T47 R48 Q49 K51D44-T47 WeakPolarHBondContact CB-OG1 3.35Å; D44-T47 PolarHBondContact OD2-OG1 3.26Å; D44-R48 WeakPolarHBondContact O-CA 3.33Å; D44-R48 PolarHBondContact O-N 3.35Å; D44-R48 VanDerWaalsContact O-N 3.11Å; D44-Q49 PolarHBondContact N-O 3.05Å; D44-K51 VanDerWaalsContact CA-CE 3.46Å; D44-K51 VanDerWaalsContact CB-CE 3.45Å; D44-K51 HydrophobicContact CB-CG 4.38Å; D44-K51 VanDerWaalsContact OD1-CE 3.25Å; D44-K51 WeakPolarHBondContact OD1-CE 3.39Å; D44-K51 IonicContact OD1-NZ 3.77Å; D44-K51 PolarHBondContact OD1-NZ 3.39Å; D44-K51 VanDerWaalsContact OD1-NZ 3.09Å
45K92.1Very high92.5Very high186 Ų18681.9 Ų81.981%0.80939%0.388SS*.THydrogen-bonded Turntrans-75.8-33.6-172-64.7-174.4178.6-165.50112.4
46F92.9Very high92.5Very high189 Ų18974.6 Ų74.683%0.82936%0.356SS*.THydrogen-bonded Turntrans-86.7-56.1-176.9-57.1-75.6000110.8R48F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 2.98Å
47T92.3Very high92.5Very high82 Ų8275.1 Ų75.150%0.50336%0.359SS..THydrogen-bonded Turntrans-80.5-14.4-17660.80000113.6D44 Q49D44-T47 WeakPolarHBondContact CB-OG1 3.35Å; D44-T47 PolarHBondContact OD2-OG1 3.26Å; T47-Q49 PolarHBondContact O-N 3.37Å; T47-Q49 PolarHBondContact OG1-N 3.35Å
48R89.2Confident92.6Very high202 Ų20271.3 Ų71.376%0.76234%0.335SS*.  trans559.3-171.1-60.9-169.3179.6-164.72.8114.8D44 F46D44-R48 WeakPolarHBondContact O-CA 3.33Å; D44-R48 PolarHBondContact O-N 3.35Å; D44-R48 VanDerWaalsContact O-N 3.11Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 2.98Å
49Q90.3Very high92.6Very high134 Ų13470.1 Ų70.163%0.62634%0.335SS*.  trans-78.2150.1177.4-65.8-174.15.700110.5K43 D44 T47K43-Q49 CarbonylContact C-O 3.59Å; K43-Q49 VanDerWaalsContact CA-O 3.3Å; K43-Q49 WeakPolarHBondContact CA-O 3.41Å; D44-Q49 PolarHBondContact N-O 3.05Å; T47-Q49 PolarHBondContact O-N 3.37Å; T47-Q49 PolarHBondContact OG1-N 3.35Å
50S92.6Very high92.5Very high23 Ų2373.2 Ų73.216%0.16135%0.35CS..EExtended strand (participates in β ladder)trans-65135.1175.5-60.40000109.8F19 G52F19-S50 WeakPolarHBondContact CD1-O 3.29Å; F19-S50 WeakPolarHBondContact CE1-O 3.46Å; S50-G52 PolarHBondContact O-N 3.45Å
51K92Very high92.4Very high114 Ų11476.6 Ų76.650%0.49636%0.356SS..EExtended strand (participates in β ladder)trans-79.96.8173.7-64-164.5177.9-169.10113.3V42 D44 V53V42-K51 HydrophobicContact CG1-CB 4.49Å; V42-K51 HydrophobicContact CG1-CD 4.11Å; V42-K51 HydrophobicContact CG1-CG 4.4Å; V42-K51 PolarHBondContact O-N 2.9Å; D44-K51 VanDerWaalsContact CA-CE 3.46Å; D44-K51 VanDerWaalsContact CB-CE 3.45Å; D44-K51 HydrophobicContact CB-CG 4.38Å; D44-K51 VanDerWaalsContact OD1-CE 3.25Å; D44-K51 WeakPolarHBondContact OD1-CE 3.39Å; D44-K51 IonicContact OD1-NZ 3.77Å; D44-K51 PolarHBondContact OD1-NZ 3.39Å; D44-K51 VanDerWaalsContact OD1-NZ 3.09Å; K51-V53 PolarHBondContact O-N 3.4Å
52G92.5Very high92.4Very high5 Ų583.3 Ų83.35%0.05239%0.387CS..EExtended strand (participates in β ladder)trans6823.4-173.600000113N16 L17 S50N16-G52 PolarHBondContact N-O 2.94Å; N16-G52 VanDerWaalsContact N-O 3.12Å; L17-G52 PolarHBondContact N-O 3.48Å; L17-G52 WeakPolarHBondContact O-CA 3.22Å; S50-G52 PolarHBondContact O-N 3.45Å
53V93.9Very high92.4Very high25 Ų2581.7 Ų81.715%0.15238%0.378CS..EExtended strand (participates in β ladder)trans-127.6135.3-178.4176.80000109.3Y13 V14 V42 K51Y13-V53 HydrophobicContact CD2-CG1 3.97Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; V14-V53 WeakPolarHBondContact O-CA 3.36Å; V42-V53 HydrophobicContact CB-CB 4.28Å; V42-V53 HydrophobicContact CG2-CB 4.3Å; V42-V53 HydrophobicContact CG2-CG1 3.99Å; V42-V53 PolarHBondContact N-O 2.97Å; K51-V53 PolarHBondContact O-N 3.4Å
54A94.2Very high92.4Very high0 Ų076.3 Ų76.30%036%0.355CS..EExtended strand (participates in β ladder)trans-135.9149177.200000112V14 L17 L26 T40 I41V14-A54 PolarHBondContact N-O 3.49Å; V14-A54 PolarHBondContact O-N 3.05Å; L17-A54 HydrophobicContact CD1-CB 3.6Å; L26-A54 HydrophobicContact CD1-CB 3.65Å; T40-A54 WeakPolarHBondContact O-CA 3.21Å; I41-A54 HydrophobicContact CG1-CB 4.17Å
55F93.8Very high92.4Very high71 Ų7177 Ų7731%0.31136%0.357SS..EExtended strand (participates in β ladder)trans-110.8126.8169.5-66.3-83.3000109.1T11 V12 Y13 T40 V42 A86T11-F55 HydrophobicContact CG2-CB 4.24Å; T11-F55 HydrophobicContact CG2-CD1 4.43Å; V12-F55 WeakPolarHBondContact O-CA 3.33Å; Y13-F55 HydrophobicContact CD2-CD1 4.29Å; Y13-F55 AromaticContact CD2-CE1 3.64Å; Y13-F55 HydrophobicContact CD2-CE1 3.64Å; Y13-F55 AromaticContact CD2-CZ 3.83Å; Y13-F55 HydrophobicContact CD2-CZ 3.83Å; Y13-F55 HydrophobicContact CE2-CE1 4.5Å; Y13-F55 HydrophobicContact CE2-CZ 4.27Å; Y13-F55 HydrophobicContact CG-CE1 4.48Å; T40-F55 PolarHBondContact N-O 3.29Å; T40-F55 PolarHBondContact O-N 3.06Å; V42-F55 HydrophobicContact CG2-CD2 3.79Å; V42-F55 HydrophobicContact CG2-CE2 3.5Å; F55-A86 HydrophobicContact CD1-CB 4.11Å; F55-A86 HydrophobicContact CE1-CB 4.19Å
56V94Very high92.5Very high0 Ų072 Ų720%034%0.339CS..EExtended strand (participates in β ladder)trans-118.2114179.8-174.50000108.4T11 V12 F30 V36 V39 F58T11-V56 CarbonylContact C-O 3.6Å; T11-V56 VanDerWaalsContact CA-O 3.32Å; T11-V56 WeakPolarHBondContact CA-O 3.43Å; V12-V56 PolarHBondContact N-O 3.5Å; V12-V56 PolarHBondContact O-N 3.31Å; F30-V56 HydrophobicContact CB-CG1 4.26Å; F30-V56 HydrophobicContact CD2-CG1 4.29Å; F30-V56 HydrophobicContact CD2-CG2 3.64Å; F30-V56 HydrophobicContact CE2-CG2 3.75Å; F30-V56 HydrophobicContact CG-CG1 4.37Å; F30-V56 HydrophobicContact CG-CG2 4.36Å; V36-V56 HydrophobicContact CG1-CG1 3.86Å; V36-V56 HydrophobicContact CG2-CG1 4.22Å; V39-V56 HydrophobicContact CG1-CG2 4.48Å; V39-V56 HydrophobicContact CG2-CG1 4.38Å; V56-F58 HydrophobicContact CB-CE2 4.07Å; V56-F58 HydrophobicContact CG1-CD2 4.14Å; V56-F58 HydrophobicContact CG1-CE1 4.49Å; V56-F58 HydrophobicContact CG1-CE2 3.56Å; V56-F58 HydrophobicContact CG1-CZ 3.78Å
57L92.5Very high92.6Very high32 Ų3263 Ų6317%0.16830%0.299CS..EExtended strand (participates in β ladder)trans-89.9119.7175178.967.1000109T11 V37 K38T11-L57 VanDerWaalsContact OG1-CD1 3.31Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.42Å; V37-L57 HydrophobicContact CB-CD2 4.06Å; V37-L57 HydrophobicContact CB-CG 4.1Å; V37-L57 HydrophobicContact CG1-CD2 3.93Å; V37-L57 PolarHBondContact N-O 2.83Å; K38-L57 HydrophobicContact CB-CB 4.21Å; K38-L57 HydrophobicContact CB-CD2 4.37Å; K38-L57 PolarHBondContact N-O 3Å; K38-L57 PolarHBondContact O-N 3.05Å
58F93.6Very high92.7Very high0 Ų059.5 Ų59.50%028%0.279CS..EExtended strand (participates in β ladder)trans-94.3158.6171.1-69.3-88.3000111.1S10 V12 F30 V36 V56 A63 A64 C67S10-F58 PolarHBondContact O-N 3.38Å; V12-F58 HydrophobicContact CB-CE2 4.17Å; V12-F58 HydrophobicContact CG2-CD2 3.86Å; V12-F58 HydrophobicContact CG2-CE2 3.58Å; F30-F58 HydrophobicContact CB-CE1 4.44Å; F30-F58 HydrophobicContact CB-CZ 4.01Å; V36-F58 HydrophobicContact CG2-CD1 4.13Å; V36-F58 HydrophobicContact CG2-CE1 3.71Å; V36-F58 HydrophobicContact CG2-CZ 4.32Å; V56-F58 HydrophobicContact CB-CE2 4.07Å; V56-F58 HydrophobicContact CG1-CD2 4.14Å; V56-F58 HydrophobicContact CG1-CE1 4.49Å; V56-F58 HydrophobicContact CG1-CE2 3.56Å; V56-F58 HydrophobicContact CG1-CZ 3.78Å; F58-A63 HydrophobicContact CB-CB 4.37Å; F58-A63 HydrophobicContact CD1-CB 4.1Å; F58-A63 HydrophobicContact CG-CB 4.37Å; F58-A64 HydrophobicContact CB-CB 4.31Å; F58-A64 HydrophobicContact CD2-CB 3.87Å; F58-A64 HydrophobicContact CG-CB 4.37Å; F58-C67 HydrophobicContact CE2-CB 3.97Å; F58-C67 HydrophobicContact CZ-CB 3.77Å
59L90.8Very high93Very high103 Ų10358.9 Ų58.954%0.53928%0.277SS..SBendtrans-67.6-48.1171.2-171.768.3000110.2K35 V37K35-L59 HydrophobicContact CB-CB 4.23Å; K35-L59 HydrophobicContact CD-CD2 4.27Å; K35-L59 PolarHBondContact O-N 3.33Å; V37-L59 HydrophobicContact CG2-CB 3.94Å; V37-L59 HydrophobicContact CG2-CD1 4.1Å
60D91Very high93.1Very high87 Ų8753.7 Ų53.747%0.46526%0.257SS..SBendtrans-102.2141.2-176-56.9-49.1000111.8E62 A63 A64D60-E62 VanDerWaalsContact C-N 3.32Å; D60-E62 PolarHBondContact O-N 3Å; D60-A63 HydrophobicContact CB-CB 4.18Å; D60-A64 PolarHBondContact O-N 3.09Å
61R91.1Very high93.2Very high132 Ų13252.8 Ų52.850%0.49825%0.25SS..Hα-helixtrans-64.5-38.8175.3176.7176.4-179.2-158.7-1.3111.7K9 A64 H65K9-R61 HydrophobicContact CB-CG 4.42Å; R61-A64 WeakPolarHBondContact O-CB 3.43Å; R61-A64 PolarHBondContact O-N 3.19Å; R61-H65 PolarHBondContact NE-NE2 3.3Å; R61-H65 PolarHBondContact O-CD2 2.75Å; R61-H65 PolarHBondContact O-N 3.43Å; R61-H65 VanDerWaalsContact O-N 3.07Å
62E92.5Very high93.3Very high163 Ų16350.6 Ų50.676%0.76224%0.244SC*.Hα-helixtrans-65.2-40.9-178.2-63.6-178.8-179.200111.7D60 A64 H65 N66D60-E62 VanDerWaalsContact C-N 3.32Å; D60-E62 PolarHBondContact O-N 3Å; E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 3.27Å; E62-H65 PolarHBondContact O-N 2.82Å; E62-N66 WeakPolarHBondContact O-CB 3.46Å; E62-N66 PolarHBondContact O-N 3.37Å
63A92.8Very high93.3Very high11 Ų1155.2 Ų55.29%0.09127%0.268CS..Hα-helixtrans-58.2-42.6173.500000111.6F58 D60 N66 C67F58-A63 HydrophobicContact CB-CB 4.37Å; F58-A63 HydrophobicContact CD1-CB 4.1Å; F58-A63 HydrophobicContact CG-CB 4.37Å; D60-A63 HydrophobicContact CB-CB 4.18Å; A63-N66 PolarHBondContact O-N 2.83Å; A63-C67 VanDerWaalsContact O-CB 3.26Å; A63-C67 WeakPolarHBondContact O-CB 3.42Å; A63-C67 PolarHBondContact O-N 3.32Å
64A93.3Very high93.2Very high1 Ų158.3 Ų58.31%0.00828%0.279CS..Hα-helixtrans-62.1-45.2175.700000112.3V12 F58 D60 R61 E62 C67 A68V12-A64 HydrophobicContact CG2-CB 3.69Å; V12-A64 VanDerWaalsContact CG2-O 3.3Å; V12-A64 WeakPolarHBondContact CG2-O 2.98Å; F58-A64 HydrophobicContact CB-CB 4.31Å; F58-A64 HydrophobicContact CD2-CB 3.87Å; F58-A64 HydrophobicContact CG-CB 4.37Å; D60-A64 PolarHBondContact O-N 3.09Å; R61-A64 WeakPolarHBondContact O-CB 3.43Å; R61-A64 PolarHBondContact O-N 3.19Å; E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 3.27Å; A64-C67 PolarHBondContact O-N 2.76Å; A64-A68 WeakPolarHBondContact O-CB 3.45Å; A64-A68 PolarHBondContact O-N 3.22Å
65H93.8Very high93.1Very high57 Ų5765.4 Ų65.426%0.26431%0.312SS..Hα-helixtrans-65.2-37.9176.4-86.5-93.5000112.9R61 E62 R69 I85R61-H65 PolarHBondContact NE-NE2 3.3Å; R61-H65 PolarHBondContact O-CD2 2.75Å; R61-H65 PolarHBondContact O-N 3.43Å; R61-H65 VanDerWaalsContact O-N 3.07Å; E62-H65 PolarHBondContact O-N 2.82Å; H65-R69 WeakPolarHBondContact O-CG 3.42Å; H65-R69 PolarHBondContact O-N 3.01Å; H65-R69 VanDerWaalsContact O-N 3.12Å; H65-R69 PolarHBondContact O-NE 2.81Å; H65-I85 WeakPolarHBondContact CE1-CD1 3.49Å; H65-I85 WeakPolarHBondContact ND1-CD1 3.29Å
66N94.6Very high92.8Very high80 Ų8063.9 Ų63.943%0.42831%0.307SS..Hα-helixtrans-67-47.6176.1-168.913.9000110.7E62 A63 A68 R69 A70E62-N66 WeakPolarHBondContact O-CB 3.46Å; E62-N66 PolarHBondContact O-N 3.37Å; A63-N66 PolarHBondContact O-N 2.83Å; N66-A68 PolarHBondContact O-N 3.25Å; N66-R69 PolarHBondContact O-N 3.13Å; N66-A70 WeakPolarHBondContact O-CB 3.43Å; N66-A70 PolarHBondContact O-N 3.46Å
67C94.3Very high92.4Very high0 Ų070.6 Ų70.60%034%0.336CS..Hα-helixtrans-56.3-47.7174.6-179.10000111.6V12 F30 Y33 F58 A63 A64 R69 A70 V71V12-C67 HydrophobicContact CG2-CB 4.35Å; F30-C67 WeakPolarHBondContact CD1-SG 3.26Å; Y33-C67 HydrophobicContact CD2-CB 4.28Å; Y33-C67 HydrophobicContact CG-CB 4.05Å; F58-C67 HydrophobicContact CE2-CB 3.97Å; F58-C67 HydrophobicContact CZ-CB 3.77Å; A63-C67 VanDerWaalsContact O-CB 3.26Å; A63-C67 WeakPolarHBondContact O-CB 3.42Å; A63-C67 PolarHBondContact O-N 3.32Å; A64-C67 PolarHBondContact O-N 2.76Å; C67-R69 PolarHBondContact O-N 2.99Å; C67-A70 PolarHBondContact O-N 3.33Å; C67-V71 VanDerWaalsContact O-CB 3.24Å; C67-V71 WeakPolarHBondContact O-CB 3.24Å; C67-V71 VanDerWaalsContact O-CG2 3.24Å; C67-V71 WeakPolarHBondContact O-CG2 3.24Å; C67-V71 PolarHBondContact O-N 3.43Å
68A94.5Very high92.2Very high10 Ų1072.5 Ų72.58%0.08336%0.364CS..Hα-helixtrans-59.2-49.7179.400000111.4V12 A64 N66 A70 N72V12-A68 HydrophobicContact CG1-CB 4.35Å; A64-A68 WeakPolarHBondContact O-CB 3.45Å; A64-A68 PolarHBondContact O-N 3.22Å; N66-A68 PolarHBondContact O-N 3.25Å; A68-A70 PolarHBondContact O-N 2.97Å; A68-N72 WeakPolarHBondContact O-CB 3.41Å; A68-N72 PolarHBondContact O-N 3.19Å
69R94.2Very high92Very high189 Ų18977 Ų7771%0.71338%0.38SS*.Hα-helixtrans-63.2-43.2178.1-74.2-177.2-75.7175.9-3.2112.6H65 N66 C67H65-R69 WeakPolarHBondContact O-CG 3.42Å; H65-R69 PolarHBondContact O-N 3.01Å; H65-R69 VanDerWaalsContact O-N 3.12Å; H65-R69 PolarHBondContact O-NE 2.81Å; N66-R69 PolarHBondContact O-N 3.13Å; C67-R69 PolarHBondContact O-N 2.99Å
70A93.4Very high92.2Very high24 Ų2475 Ų7520%0.19837%0.373CS..Hα-helixtrans-72.1-34.7-176.700000112.2Y33 N66 C67 A68 K74Y33-A70 HydrophobicContact CD1-CB 4.02Å; Y33-A70 HydrophobicContact CE1-CB 3.45Å; Y33-A70 VanDerWaalsContact CE1-CB 3.45Å; N66-A70 WeakPolarHBondContact O-CB 3.43Å; N66-A70 PolarHBondContact O-N 3.46Å; C67-A70 PolarHBondContact O-N 3.33Å; A68-A70 PolarHBondContact O-N 2.97Å; A70-K74 WeakPolarHBondContact O-CD 3.36Å; A70-K74 WeakPolarHBondContact O-CE 3.45Å; A70-K74 WeakPolarHBondContact O-CG 3.42Å; A70-K74 PolarHBondContact O-NZ 3.38Å
71V93.6Very high92.4Very high4 Ų470.9 Ų70.92%0.02435%0.351CS..Hα-helixtrans-92.7-21-173177.70000112F30 Y33 C67 N73 K74 V81 A83F30-V71 HydrophobicContact CE1-CG1 4.2Å; F30-V71 HydrophobicContact CE1-CG2 4.02Å; Y33-V71 HydrophobicContact CD2-CG2 4.32Å; Y33-V71 HydrophobicContact CE2-CG2 3.57Å; C67-V71 VanDerWaalsContact O-CB 3.24Å; C67-V71 WeakPolarHBondContact O-CB 3.24Å; C67-V71 VanDerWaalsContact O-CG2 3.24Å; C67-V71 WeakPolarHBondContact O-CG2 3.24Å; C67-V71 PolarHBondContact O-N 3.43Å; V71-N73 PolarHBondContact O-N 2.91Å; V71-K74 PolarHBondContact O-N 3.21Å; V71-K74 VanDerWaalsContact O-N 3.09Å; V71-V81 HydrophobicContact CG1-CG2 3.77Å; V71-A83 HydrophobicContact CB-CB 3.9Å; V71-A83 HydrophobicContact CG1-CB 3.98Å
72N94.6Very high92.5Very high69 Ų6970.3 Ų70.337%0.36935%0.352SS..THydrogen-bonded Turntrans-60.5125.2179.1-163.323.1000111.3A68 K74 A83A68-N72 WeakPolarHBondContact O-CB 3.41Å; A68-N72 PolarHBondContact O-N 3.19Å; N72-K74 VanDerWaalsContact C-N 3.26Å; N72-K74 PolarHBondContact O-N 3.35Å; N72-A83 HydrophobicContact CB-CB 4.5Å; N72-A83 PolarHBondContact OD1-N 3.23Å
73N93.4Very high92.7Very high102 Ų10262.8 Ų62.855%0.54532%0.317SS..THydrogen-bonded Turntrans64.818.1-176.8-53.4-45.2000115.7V71 T80 V81V71-N73 PolarHBondContact O-N 2.91Å; N73-T80 HydrophobicContact CB-CG2 4.39Å; N73-V81 WeakPolarHBondContact CA-O 3.21Å; N73-V81 PolarHBondContact N-O 3.46Å
74K91.9Very high92.7Very high89 Ų8965.1 Ų65.139%0.38733%0.333SS..  trans-78.7150.5168.7-78.3-169.9172.6149.70111.5Y33 A70 V71 N72 T80 V81Y33-K74 PolarHBondContact OH-NZ 3.39Å; A70-K74 WeakPolarHBondContact O-CD 3.36Å; A70-K74 WeakPolarHBondContact O-CE 3.45Å; A70-K74 WeakPolarHBondContact O-CG 3.42Å; A70-K74 PolarHBondContact O-NZ 3.38Å; V71-K74 PolarHBondContact O-N 3.21Å; V71-K74 VanDerWaalsContact O-N 3.09Å; N72-K74 VanDerWaalsContact C-N 3.26Å; N72-K74 PolarHBondContact O-N 3.35Å; K74-T80 CarbonylContact O-C 3.58Å; K74-T80 WeakPolarHBondContact O-CA 3.46Å; K74-V81 HydrophobicContact CB-CG2 4.44Å; K74-V81 VanDerWaalsContact O-CG2 3.22Å; K74-V81 WeakPolarHBondContact O-CG2 3.42Å; K74-V81 PolarHBondContact O-N 3.08Å
75Q91.9Very high92.7Very high150 Ų15068 Ų6870%0.70135%0.348SS*.EExtended strand (participates in β ladder)trans-86124.4169.5-69.4-178.318.700110R79Q75-R79 CarbonylContact C-O 3.55Å; Q75-R79 WeakPolarHBondContact CA-O 3.11Å
76L87.2Confident92.6Very high38 Ų3865.7 Ų65.720%0.19934%0.339CS..EExtended strand (participates in β ladder)trans-123.1120.7170.1-66.9-179.1000108.1L17 G78 R79 V81L17-L76 HydrophobicContact CD2-CD1 4.45Å; L76-G78 VanDerWaalsContact C-N 3.28Å; L76-G78 PolarHBondContact O-N 3.38Å; L76-R79 PolarHBondContact N-O 3.27Å; L76-R79 PolarHBondContact O-N 3.37Å; L76-V81 HydrophobicContact CB-CG1 4.06Å; L76-V81 HydrophobicContact CB-CG2 4.43Å; L76-V81 HydrophobicContact CD1-CB 4.45Å; L76-V81 HydrophobicContact CD1-CG1 4.03Å; L76-V81 HydrophobicContact CD1-CG2 3.68Å; L76-V81 HydrophobicContact CG-CG1 4.29Å; L76-V81 HydrophobicContact CG-CG2 3.85Å
77F85.4Confident92.3Very high141 Ų14168.9 Ų68.962%0.61835%0.354SS*.THydrogen-bonded Turntrans51.444.5178.7-53.7-85.5000113.3P18 L21 L29 R79P18-F77 HydrophobicContact CG-CB 4.11Å; P18-F77 HydrophobicContact CG-CD2 3.95Å; P18-F77 HydrophobicContact CG-CG 4.31Å; L21-F77 HydrophobicContact CD1-CD2 4.07Å; L21-F77 HydrophobicContact CD1-CE2 3.95Å; L21-F77 HydrophobicContact CD2-CD2 4.42Å; L21-F77 HydrophobicContact CD2-CE2 3.69Å; L21-F77 HydrophobicContact CD2-CZ 4.08Å; L21-F77 HydrophobicContact CG-CD2 4.38Å; L21-F77 HydrophobicContact CG-CE2 4.12Å; L29-F77 HydrophobicContact CD1-CE2 4.35Å; F77-R79 VanDerWaalsContact C-N 3.26Å; F77-R79 PolarHBondContact O-N 2.65Å
78G87.9Confident91.7Very high72 Ų7273 Ų7374%0.74238%0.376SS*.THydrogen-bonded Turntrans74.28.8179.800000115.1L76L76-G78 VanDerWaalsContact C-N 3.28Å; L76-G78 PolarHBondContact O-N 3.38Å
79R90.6Very high91.1Very high94 Ų9478.8 Ų78.836%0.35541%0.406SS..EExtended strand (participates in β ladder)trans-120.8134.9175.4-64.7-175.1179.5179.7-0.3111Q75 L76 F77 V81Q75-R79 CarbonylContact C-O 3.55Å; Q75-R79 WeakPolarHBondContact CA-O 3.11Å; L76-R79 PolarHBondContact N-O 3.27Å; L76-R79 PolarHBondContact O-N 3.37Å; F77-R79 VanDerWaalsContact C-N 3.26Å; F77-R79 PolarHBondContact O-N 2.65Å; R79-V81 PolarHBondContact O-N 3.03Å
80T94.3Very high90.1Very high62 Ų6271.9 Ų71.938%0.3839%0.393SS..EExtended strand (participates in β ladder)trans-76.1112.2173.5-52.40000109.5N16 N73 K74N16-T80 PolarHBondContact ND2-O 2.85Å; N73-T80 HydrophobicContact CB-CG2 4.39Å; K74-T80 CarbonylContact O-C 3.58Å; K74-T80 WeakPolarHBondContact O-CA 3.46Å
81V94.4Very high88.9Confident0 Ų078.4 Ų78.40%041%0.413CS..  trans-87.3147.4178.4-67.50000111L17 V71 N73 K74 L76 R79L17-V81 HydrophobicContact CD2-CG1 3.8Å; L17-V81 HydrophobicContact CG-CG1 4.45Å; V71-V81 HydrophobicContact CG1-CG2 3.77Å; N73-V81 WeakPolarHBondContact CA-O 3.21Å; N73-V81 PolarHBondContact N-O 3.46Å; K74-V81 HydrophobicContact CB-CG2 4.44Å; K74-V81 VanDerWaalsContact O-CG2 3.22Å; K74-V81 WeakPolarHBondContact O-CG2 3.42Å; K74-V81 PolarHBondContact O-N 3.08Å; L76-V81 HydrophobicContact CB-CG1 4.06Å; L76-V81 HydrophobicContact CB-CG2 4.43Å; L76-V81 HydrophobicContact CD1-CB 4.45Å; L76-V81 HydrophobicContact CD1-CG1 4.03Å; L76-V81 HydrophobicContact CD1-CG2 3.68Å; L76-V81 HydrophobicContact CG-CG1 4.29Å; L76-V81 HydrophobicContact CG-CG2 3.85Å; R79-V81 PolarHBondContact O-N 3.03Å
82K94.9Very high87.6Confident121 Ų12179.9 Ų79.953%0.52643%0.426SS..EExtended strand (participates in β ladder)trans-113135.7172.9-68.3-178.6177.8-179.10108.8V14 S15V14-K82 CarbonylContact C-O 3.57Å; V14-K82 WeakPolarHBondContact CA-O 3.4Å; S15-K82 PolarHBondContact N-O 3.17Å; S15-K82 PolarHBondContact O-N 3.45Å; S15-K82 VanDerWaalsContact O-N 3.11Å
83A94.9Very high86.2Confident4 Ų479.1 Ų79.13%0.03343%0.429CS..EExtended strand (participates in β ladder)trans-130.5131.7179.600000110.1V12 Y13 V14 V71 N72V12-A83 HydrophobicContact CG1-CB 4.27Å; Y13-A83 CarbonylContact O-C 3.56Å; Y13-A83 VanDerWaalsContact O-CA 3.31Å; Y13-A83 WeakPolarHBondContact O-CA 3.39Å; V14-A83 HydrophobicContact CG2-CB 4.46Å; V71-A83 HydrophobicContact CB-CB 3.9Å; V71-A83 HydrophobicContact CG1-CB 3.98Å; N72-A83 HydrophobicContact CB-CB 4.5Å; N72-A83 PolarHBondContact OD1-N 3.23Å
84S94.3Very high84.7Confident60 Ų6078.6 Ų78.642%0.4242%0.423SS..EExtended strand (participates in β ladder)trans-143.3166.2177.662.60000110.6V12 Y13 A86V12-S84 WeakPolarHBondContact CA-O 3.35Å; Y13-S84 PolarHBondContact N-O 3.29Å; Y13-S84 PolarHBondContact O-N 3.45Å; S84-A86 PolarHBondContact O-N 2.84Å
85I93.4Very high83.1Confident62 Ų6280.9 Ų80.932%0.31843%0.433SS..EExtended strand (participates in β ladder)trans-69133.9172-58.6160.4000107.7H65 I87H65-I85 WeakPolarHBondContact CE1-CD1 3.49Å; H65-I85 WeakPolarHBondContact ND1-CD1 3.29Å; I85-I87 PolarHBondContact O-N 3.3Å
86A91.2Very high81.7Confident9 Ų979.6 Ų79.67%0.07443%0.43CS..PPolyproline II helixtrans-67.4125.2-178.600000110.4T11 F55 S84T11-A86 HydrophobicContact CG2-CB 4.08Å; T11-A86 WeakPolarHBondContact O-CB 3.4Å; T11-A86 PolarHBondContact O-N 3.41Å; F55-A86 HydrophobicContact CD1-CB 4.11Å; F55-A86 HydrophobicContact CE1-CB 4.19Å; S84-A86 PolarHBondContact O-N 2.84Å
87I87.8Confident80.5Confident147 Ų14788 Ų8875%0.75446%0.459SS*.PPolyproline II helixtrans-86.3128.1171.7-56.6170.6000107.1I85 N89I85-I87 PolarHBondContact O-N 3.3Å; I87-N89 PolarHBondContact O-OD1 3.49Å
88D82.3Confident79Confident87 Ų8788.8 Ų88.847%0.46546%0.458SS..PPolyproline II helixtrans-79.1137.6175.552.7-76000111.6S8 G90S8-D88 WeakPolarHBondContact CB-OD1 3.44Å; S8-D88 PolarHBondContact OG-OD1 3.44Å; D88-G90 PolarHBondContact O-N 3.38Å
89N80.6Confident77.4Confident130 Ų13094.7 Ų94.770%0.69546%0.458SS*.  trans-81.119.3-176.9-51.59.3000112I87 R91I87-N89 PolarHBondContact O-OD1 3.49Å; N89-R91 PolarHBondContact O-N 3.32Å
90G73.2Confident75.9Confident44 Ų4497.1 Ų97.145%0.45448%0.478SS..SBendtrans66.8-20.7-174.900000116.1D88 A92 A93D88-G90 PolarHBondContact O-N 3.38Å; G90-A92 PolarHBondContact O-N 3.41Å; G90-A93 PolarHBondContact O-N 3.25Å
91R68.9Low74.1Confident161 Ų161103.3 Ų103.361%0.60850%0.495SS*.Hα-helixtrans-65.5-22.8-178.2-68.4-170.3-175.6125.42.3114.1N89 A93 E94 F95N89-R91 PolarHBondContact O-N 3.32Å; R91-A93 VanDerWaalsContact C-N 3.26Å; R91-A93 PolarHBondContact O-N 3.06Å; R91-E94 WeakPolarHBondContact O-CB 3.3Å; R91-E94 PolarHBondContact O-N 3.12Å; R91-E94 VanDerWaalsContact O-N 3.1Å; R91-F95 HydrophobicContact CB-CD2 4.26Å; R91-F95 HydrophobicContact CB-CE2 4.21Å; R91-F95 VanDerWaalsContact O-CD2 3.24Å; R91-F95 WeakPolarHBondContact O-CD2 3.37Å; R91-F95 PolarHBondContact O-N 3.49Å
92A66Low72.3Confident36 Ų36108 Ų10830%0.29853%0.525SS..Hα-helixtrans-58.3-39.5-179.300000112G90 E94 F95 I96G90-A92 PolarHBondContact O-N 3.41Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.89Å; A92-F95 PolarHBondContact O-N 2.87Å; A92-I96 WeakPolarHBondContact O-CG1 3.35Å; A92-I96 PolarHBondContact O-N 3.36Å; A92-I96 VanDerWaalsContact O-N 3.08Å
93A64.8Low70.6Confident52 Ų52106.8 Ų106.843%0.4352%0.524SS..Hα-helixtrans-63.7-38.6176.300000112.3G90 R91 I96 R97G90-A93 PolarHBondContact O-N 3.25Å; R91-A93 VanDerWaalsContact C-N 3.26Å; R91-A93 PolarHBondContact O-N 3.06Å; A93-I96 PolarHBondContact O-N 3.24Å; A93-R97 WeakPolarHBondContact O-CG 3.36Å; A93-R97 PolarHBondContact O-N 3.11Å
94E62.2Low69Low92 Ų92116.4 Ų116.443%0.4357%0.565SS.*Hα-helixtrans-66.1-41.2175.2-62.2-163.315300112.4R91 A92 I96 R97 R98R91-E94 WeakPolarHBondContact O-CB 3.3Å; R91-E94 PolarHBondContact O-N 3.12Å; R91-E94 VanDerWaalsContact O-N 3.1Å; A92-E94 VanDerWaalsContact C-N 3.35Å; A92-E94 PolarHBondContact O-N 2.89Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 2.88Å; E94-R97 PolarHBondContact O-N 2.8Å; E94-R98 WeakPolarHBondContact O-CB 3.12Å; E94-R98 VanDerWaalsContact O-CG 3.25Å; E94-R98 WeakPolarHBondContact O-CG 3.31Å; E94-R98 PolarHBondContact O-N 3.43Å; E94-R98 IonicContact OE1-NH2 2.86Å; E94-R98 IonicContact OE2-CZ 3.09Å; E94-R98 VanDerWaalsContact OE2-CZ 3.23Å; E94-R98 IonicContact OE2-NH1 3.82Å; E94-R98 PolarHBondContact OE2-NH1 3.27Å; E94-R98 IonicContact OE2-NH2 3.23Å; E94-R98 PolarHBondContact OE2-NH2 3Å
95F58.8Low67.9Low136 Ų136116.4 Ų116.460%0.59656%0.562SS**Hα-helixtrans-67-32.4178.4-82.4-75.4000112.9R91 A92R91-F95 HydrophobicContact CB-CD2 4.26Å; R91-F95 HydrophobicContact CB-CE2 4.21Å; R91-F95 VanDerWaalsContact O-CD2 3.24Å; R91-F95 WeakPolarHBondContact O-CD2 3.37Å; R91-F95 PolarHBondContact O-N 3.49Å; A92-F95 PolarHBondContact O-N 2.87Å
96I62.4Low67.3Low124 Ų124120.1 Ų120.164%0.63658%0.576SS**Hα-helixtrans-67.4-40.7173.3-67.1164.7000110.4A92 A93 E94A92-I96 WeakPolarHBondContact O-CG1 3.35Å; A92-I96 PolarHBondContact O-N 3.36Å; A92-I96 VanDerWaalsContact O-N 3.08Å; A93-I96 PolarHBondContact O-N 3.24Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 2.88Å
97R61.3Low66.8Low214 Ų214119.8 Ų119.881%0.80857%0.574SS**Hα-helixtrans-71.3-27.2178.1-69.6176.4-178.6175.40.5113.4A93 E94 R99A93-R97 WeakPolarHBondContact O-CG 3.36Å; A93-R97 PolarHBondContact O-N 3.11Å; E94-R97 PolarHBondContact O-N 2.8Å; R97-R99 VanDerWaalsContact C-N 3.29Å; R97-R99 PolarHBondContact O-N 2.99Å
98R55.3Low66.4Low158 Ų158121.6 Ų121.660%0.59657%0.572SS**THydrogen-bonded Turntrans-80.212.2-173.3-81.2-179.6-177.4133.49116.2E94E94-R98 WeakPolarHBondContact O-CB 3.12Å; E94-R98 VanDerWaalsContact O-CG 3.25Å; E94-R98 WeakPolarHBondContact O-CG 3.31Å; E94-R98 PolarHBondContact O-N 3.43Å; E94-R98 IonicContact OE1-NH2 2.86Å; E94-R98 IonicContact OE2-CZ 3.09Å; E94-R98 VanDerWaalsContact OE2-CZ 3.23Å; E94-R98 IonicContact OE2-NH1 3.82Å; E94-R98 PolarHBondContact OE2-NH1 3.27Å; E94-R98 IonicContact OE2-NH2 3.23Å; E94-R98 PolarHBondContact OE2-NH2 3Å
99R53.1Low66.1Low195 Ų195121 Ų12174%0.73657%0.566SS**THydrogen-bonded Turntrans-102.925179.5-125.9-167.7-59162.12.3115.4R97 Y101R97-R99 VanDerWaalsContact C-N 3.29Å; R97-R99 PolarHBondContact O-N 2.99Å; R99-Y101 HydrophobicContact CG-CD2 4.47Å; R99-Y101 HydrophobicContact CG-CE2 4.11Å; R99-Y101 PolarHBondContact O-N 3.29Å
100N60.1Low66.2Low145 Ų145116.5 Ų116.578%0.77555%0.545SS*.  trans-85.394.5155.4-113.18000107.5T102N100-T102 VanDerWaalsContact C-N 3.29Å; N100-T102 PolarHBondContact O-N 3.45Å
101Y55.7Low66.4Low192 Ų192116.5 Ų116.575%0.75355%0.545SS*.  trans-66.499.4160.5-76.8-95000105.5R99 D103R99-Y101 HydrophobicContact CG-CD2 4.47Å; R99-Y101 HydrophobicContact CG-CE2 4.11Å; R99-Y101 PolarHBondContact O-N 3.29Å; Y101-D103 VanDerWaalsContact C-N 3.29Å; Y101-D103 PolarHBondContact O-N 2.86Å
102T57.3Low66.9Low100 Ų100112.5 Ų112.561%0.61353%0.533SS*.  trans-67.5103.916151.60000104.6N100 K104N100-T102 VanDerWaalsContact C-N 3.29Å; N100-T102 PolarHBondContact O-N 3.45Å; T102-K104 PolarHBondContact O-N 3.21Å
103D58.5Low67.4Low94 Ų94116 Ų11650%0.50355%0.551SS.*  trans-51.1115.7173.7-68.3-43.2000106.4Y101 T105 L116Y101-D103 VanDerWaalsContact C-N 3.29Å; Y101-D103 PolarHBondContact O-N 2.86Å; D103-T105 PolarHBondContact O-N 3.41Å; D103-L116 HydrophobicContact CB-CD2 4.12Å
104K62.8Low68Low206 Ų206116.8 Ų116.890%0.89656%0.564SS**  trans-68.813.9-176.5-60177.7-174.3-174.60112.1T102T102-K104 PolarHBondContact O-N 3.21Å
105T70.6Confident68.7Low61 Ų61114.1 Ų114.137%0.37455%0.552SS.*SBendtrans-84118.3177.4510000107.8D103D103-T105 PolarHBondContact O-N 3.41Å
106K80.8Confident69.6Low139 Ų139110.7 Ų110.760%0.60454%0.539SS*.  trans-43.4143.2169.9-62174.8-177.7-178.30109.9Y108 T113K106-Y108 PolarHBondContact O-N 3.23Å; K106-T113 HydrophobicContact CG-CG2 3.82Å
107C81Confident70.2Confident3 Ų3105.6 Ų105.62%0.0252%0.515CS..  trans-54.1129.2173178.30000109.9E109 C110 G111 E112 H115 C120C107-E109 PolarHBondContact O-N 3.35Å; C107-E109 PolarHBondContact SG-N 3.37Å; C107-C110 VanDerWaalsContact CB-SG 3.55Å; C107-G111 WeakPolarHBondContact O-CA 3.27Å; C107-G111 PolarHBondContact O-N 2.91Å; C107-E112 WeakPolarHBondContact CB-O 2.99Å; C107-E112 PolarHBondContact N-O 3.49Å; C107-H115 WeakPolarHBondContact CB-NE2 3.32Å; C107-H115 PolarHBondContact SG-NE2 3.07Å; C107-H115 VanDerWaalsContact SG-NE2 3.43Å; C107-C120 VanDerWaalsContact SG-SG 3.64Å
108Y79.6Confident70.8Confident185 Ų185102 Ų10273%0.72550%0.502SS*.THydrogen-bonded Turntrans-74-8.9-179.1-60.4-86.8000113.1K106 S117K106-Y108 PolarHBondContact O-N 3.23Å; Y108-S117 VanDerWaalsContact CB-OG 3.3Å; Y108-S117 WeakPolarHBondContact CB-OG 3.41Å; Y108-S117 PolarHBondContact N-OG 3.12Å; Y108-S117 VanDerWaalsContact N-OG 3.13Å
109E75.3Confident71.8Confident73 Ų7397.9 Ų97.934%0.34150%0.502SS..THydrogen-bonded Turntrans-99.3-53.4178.8-67.9179.4175.900112C107 N123C107-E109 PolarHBondContact O-N 3.35Å; C107-E109 PolarHBondContact SG-N 3.37Å; E109-N123 WeakPolarHBondContact OE2-CB 3.19Å; E109-N123 PolarHBondContact OE2-OD1 2.83Å
110C82.7Confident73Confident37 Ų3789 Ų8925%0.2547%0.47CS..THydrogen-bonded Turntrans-102.7-7.6-177.370.80000114.8C107 E112 H115 C120 K122C107-C110 VanDerWaalsContact CB-SG 3.55Å; C110-E112 HydrophobicContact CB-CG 4.49Å; C110-E112 PolarHBondContact O-N 2.92Å; C110-E112 VanDerWaalsContact O-N 3.16Å; C110-E112 VanDerWaalsContact SG-CB 3.58Å; C110-E112 PolarHBondContact SG-N 3.35Å; C110-H115 PolarHBondContact SG-CE1 3.5Å; C110-H115 PolarHBondContact SG-NE2 2.93Å; C110-C120 PolarHBondContact SG-SG 3.35Å; C110-K122 HydrophobicContact CB-CB 4.3Å; C110-K122 HydrophobicContact CB-CD 4.11Å
111G77.9Confident73.9Confident44 Ų4487.3 Ų87.345%0.45447%0.466SS..  trans72.6-3.2-17800000115.5C107C107-G111 WeakPolarHBondContact O-CA 3.27Å; C107-G111 PolarHBondContact O-N 2.91Å
112E79.8Confident74.9Confident76 Ų7684.1 Ų84.136%0.35546%0.456SS..  trans-76.1150.4-179.8-63.7170.2-177.700111.7C107 C110 H115 K122C107-E112 WeakPolarHBondContact CB-O 2.99Å; C107-E112 PolarHBondContact N-O 3.49Å; C110-E112 HydrophobicContact CB-CG 4.49Å; C110-E112 PolarHBondContact O-N 2.92Å; C110-E112 VanDerWaalsContact O-N 3.16Å; C110-E112 VanDerWaalsContact SG-CB 3.58Å; C110-E112 PolarHBondContact SG-N 3.35Å; E112-H115 IonicContact OE2-CE1 2.83Å; E112-K122 WeakPolarHBondContact OE1-CE 3.43Å; E112-K122 IonicContact OE1-NZ 2.63Å; E112-K122 PolarHBondContact OE1-NZ 2.86Å
113T75.5Confident75.7Confident110 Ų11080.6 Ų80.668%0.67543%0.434SS*.SBendtrans-90.8145.6176.951.20000110.4K106K106-T113 HydrophobicContact CG-CG2 3.82Å
114G78.1Confident76.5Confident69 Ų6984.4 Ų84.471%0.71145%0.454SS*.SBendtrans112.7-7.8176.100000115.2
115H76.8Confident76.7Confident36 Ų3680.2 Ų80.217%0.16744%0.44CS..SBendtrans-149.7158.317463.2-88.2000111.9C107 C110 E112 A119 C120C107-H115 WeakPolarHBondContact CB-NE2 3.32Å; C107-H115 PolarHBondContact SG-NE2 3.07Å; C107-H115 VanDerWaalsContact SG-NE2 3.43Å; C110-H115 PolarHBondContact SG-CE1 3.5Å; C110-H115 PolarHBondContact SG-NE2 2.93Å; E112-H115 IonicContact OE2-CE1 2.83Å; H115-A119 HydrophobicContact CB-CB 4.49Å; H115-C120 WeakPolarHBondContact CD2-CA 3.5Å; H115-C120 PolarHBondContact NE2-SG 2.96Å
116L76.4Confident76.6Confident63 Ų6379.1 Ų79.133%0.3344%0.441SS..  trans-90.9160.9170.4-69170.7000109.8D103 Y118 A119 C120D103-L116 HydrophobicContact CB-CD2 4.12Å; L116-Y118 PolarHBondContact O-N 3.28Å; L116-A119 CarbonylContact O-C 3.53Å; L116-A119 PolarHBondContact O-N 3.25Å; L116-C120 PolarHBondContact O-N 2.8Å
117S76.4Confident75.9Confident17 Ų1782.1 Ų82.112%0.11946%0.457CS..G310 helixtrans-48.8-37.1-179.8-52.40000113.9Y108 A119 C120Y108-S117 VanDerWaalsContact CB-OG 3.3Å; Y108-S117 WeakPolarHBondContact CB-OG 3.41Å; Y108-S117 PolarHBondContact N-OG 3.12Å; Y108-S117 VanDerWaalsContact N-OG 3.13Å; S117-A119 PolarHBondContact O-N 3.31Å; S117-C120 WeakPolarHBondContact O-CB 3.33Å; S117-C120 PolarHBondContact O-N 2.81Å; S117-C120 VanDerWaalsContact O-N 3.16Å
118Y74.1Confident75.5Confident138 Ų13887.8 Ų87.854%0.54148%0.478SS..G310 helixtrans-64-21.1178-62.5-74.4000115L116 R128L116-Y118 PolarHBondContact O-N 3.28Å; Y118-R128 HydrophobicContact CD1-CB 4.29Å
119A74.8Confident74.9Confident72 Ų7287.4 Ų87.460%0.59548%0.483SS*.G310 helixtrans-11723.5178.500000111.3H115 L116 S117H115-A119 HydrophobicContact CB-CB 4.49Å; L116-A119 CarbonylContact O-C 3.53Å; L116-A119 PolarHBondContact O-N 3.25Å; S117-A119 PolarHBondContact O-N 3.31Å
120C79.6Confident74.7Confident10 Ų1088.5 Ų88.57%0.06850%0.496CS..  trans-75.6124-178.3-172.50000111.4C107 C110 H115 L116 S117 K122 N123C107-C120 VanDerWaalsContact SG-SG 3.64Å; C110-C120 PolarHBondContact SG-SG 3.35Å; H115-C120 WeakPolarHBondContact CD2-CA 3.5Å; H115-C120 PolarHBondContact NE2-SG 2.96Å; L116-C120 PolarHBondContact O-N 2.8Å; S117-C120 WeakPolarHBondContact O-CB 3.33Å; S117-C120 PolarHBondContact O-N 2.81Å; S117-C120 VanDerWaalsContact O-N 3.16Å; C120-K122 PolarHBondContact O-N 3.38Å; C120-K122 PolarHBondContact SG-N 2.82Å; C120-N123 HydrophobicContact CB-CB 4.12Å; C120-N123 WeakPolarHBondContact O-CB 3.3Å; C120-N123 PolarHBondContact O-N 2.92Å; C120-N123 VanDerWaalsContact O-N 3.13Å
121P78.9Confident74.2Confident108 Ų10891.2 Ų91.270%0.70151%0.514SS*.THydrogen-bonded Turntrans-69.8-14.4177.229.5-35.1000112.8
122K76.5Confident74.2Confident125 Ų12598.4 Ų98.454%0.54353%0.532SS..THydrogen-bonded Turntrans-102.116.3174.6-59.3-178-175.4168.90112.3C110 E112 C120 L124C110-K122 HydrophobicContact CB-CB 4.3Å; C110-K122 HydrophobicContact CB-CD 4.11Å; E112-K122 WeakPolarHBondContact OE1-CE 3.43Å; E112-K122 IonicContact OE1-NZ 2.63Å; E112-K122 PolarHBondContact OE1-NZ 2.86Å; C120-K122 PolarHBondContact O-N 3.38Å; C120-K122 PolarHBondContact SG-N 2.82Å; K122-L124 PolarHBondContact O-N 3.36Å
123N74.6Confident73.8Confident27 Ų27104.4 Ų104.414%0.14456%0.558CS.*  trans-65.8101.4-179.3-179.5-2.3000110.2E109 C120 L125 G126E109-N123 WeakPolarHBondContact OE2-CB 3.19Å; E109-N123 PolarHBondContact OE2-OD1 2.83Å; C120-N123 HydrophobicContact CB-CB 4.12Å; C120-N123 WeakPolarHBondContact O-CB 3.3Å; C120-N123 PolarHBondContact O-N 2.92Å; C120-N123 VanDerWaalsContact O-N 3.13Å; N123-L125 PolarHBondContact O-N 3.42Å; N123-L125 WeakPolarHBondContact OD1-CA 3.37Å; N123-L125 WeakPolarHBondContact OD1-CB 3.41Å; N123-L125 PolarHBondContact OD1-N 2.84Å; N123-G126 PolarHBondContact ND2-O 3.4Å
124L73.6Confident73.6Confident174 Ų174108.7 Ų108.791%0.91157%0.567SS**THydrogen-bonded Turntrans-72.5-12.9178.9-65.2171.5000113K122K122-L124 PolarHBondContact O-N 3.36Å
125L68.2Low73.3Confident117 Ų117114 Ų11461%0.61357%0.573SS**THydrogen-bonded Turntrans-94.37.7-177.9-73.2134.9000113N123 R128N123-L125 PolarHBondContact O-N 3.42Å; N123-L125 WeakPolarHBondContact OD1-CA 3.37Å; N123-L125 WeakPolarHBondContact OD1-CB 3.41Å; N123-L125 PolarHBondContact OD1-N 2.84Å; L125-R128 VanDerWaalsContact CD1-NH2 3.32Å
126G68.6Low72.9Confident38 Ų38121.8 Ų121.839%0.39261%0.606SS.*  trans73.3179.1179.200000113.8N123 R128N123-G126 PolarHBondContact ND2-O 3.4Å; G126-R128 PolarHBondContact O-N 2.85Å; G126-R128 VanDerWaalsContact O-N 3.11Å
127E65.6Low72.2Confident203 Ų203128.3 Ų128.395%0.94963%0.632SS**  trans-64.9111.9179.8-65.4-177-179.300110.6
128R71.6Confident71.1Confident121 Ų121136.9 Ų136.946%0.45767%0.667SS.*PPolyproline II helixtrans-93.3124.5174.9-67.4178.8176.2-147.9-2109.1Y118 L125 G126Y118-R128 HydrophobicContact CD1-CB 4.29Å; L125-R128 VanDerWaalsContact CD1-NH2 3.32Å; G126-R128 PolarHBondContact O-N 2.85Å; G126-R128 VanDerWaalsContact O-N 3.11Å
129E67.9Low70.1Confident177 Ų177139.8 Ų139.883%0.82768%0.683SS**PPolyproline II helixtrans-63.5126.6170.6-68.7-169.9172.600109.8
130P70.3Confident68.9Low96 Ų96145.9 Ų145.962%0.62370%0.696SS**PPolyproline II helixtrans-61.4142.3177.824.3-32.1000109.7K132P130-K132 PolarHBondContact O-N 3.5Å
131P73.6Confident67.1Low95 Ų95155.3 Ų155.362%0.61773%0.73SS**PPolyproline II helixtrans-56.8131.7179.423.7-33.2000109.9K133P131-K133 PolarHBondContact O-N 2.79Å; P131-K133 VanDerWaalsContact O-N 3.12Å
132K76.8Confident65.8Low194 Ų194155.6 Ų155.684%0.84373%0.732SS**PPolyproline II helixtrans-53.7123.3175.8-69.3-178.8-179175.90108.4P130 K134P130-K132 PolarHBondContact O-N 3.5Å; K132-K134 PolarHBondContact O-N 2.92Å
133K72Confident64.4Low203 Ų203158.4 Ų158.488%0.88375%0.747SS**PPolyproline II helixtrans-54.3117.9175-76.3-179.5-179.6172.60107.5P131 E135P131-K133 PolarHBondContact O-N 2.79Å; P131-K133 VanDerWaalsContact O-N 3.12Å; K133-E135 PolarHBondContact O-N 2.87Å; K133-E135 VanDerWaalsContact O-N 3.08Å
134K72.1Confident62.7Low200 Ų200164.6 Ų164.687%0.8778%0.775SS**PPolyproline II helixtrans-51.3122.2172.9-69.5-174.6179.7-178.90107.4K132 K136K132-K134 PolarHBondContact O-N 2.92Å; K134-K136 PolarHBondContact O-N 2.86Å; K134-K136 VanDerWaalsContact O-N 3.07Å
135E71.4Confident61.4Low181 Ų181162.3 Ų162.385%0.84677%0.77SS**PPolyproline II helixtrans-55.3121.9173-69.5-169130.500107.3K133 K137K133-E135 PolarHBondContact O-N 2.87Å; K133-E135 VanDerWaalsContact O-N 3.08Å; E135-K137 VanDerWaalsContact C-N 3.29Å; E135-K137 PolarHBondContact O-N 2.85Å
136K66.9Low60Low198 Ų198165.9 Ų165.986%0.86178%0.784SS**  trans-63.8100.6172-67.8-174.7179.3-174.90105.6K134 K138K134-K136 PolarHBondContact O-N 2.86Å; K134-K136 VanDerWaalsContact O-N 3.07Å; K136-K138 VanDerWaalsContact C-N 3.31Å; K136-K138 PolarHBondContact O-N 2.95Å
137K62.3Low58.6Low200 Ų200170.7 Ų170.787%0.8780%0.796SS**  trans-53106161.7-77.8-172.7178.2-177.40105.1E135 K139E135-K137 VanDerWaalsContact C-N 3.29Å; E135-K137 PolarHBondContact O-N 2.85Å; K137-K139 PolarHBondContact O-N 3.49Å
138K53.5Low57Low197 Ų197168.8 Ų168.886%0.85779%0.791SS**  trans-57.6107.8170.1-75.3-179.9177.81770104.4K136 K140K136-K138 VanDerWaalsContact C-N 3.31Å; K136-K138 PolarHBondContact O-N 2.95Å; K138-K140 VanDerWaalsContact C-N 3.33Å; K138-K140 PolarHBondContact O-N 3.33Å
139K52.6Low55.3Low199 Ų199169.3 Ų169.387%0.86580%0.798SS**  trans-54.3110.7159.8-77.8-172.6175.4-1740103.9K137 R141K137-K139 PolarHBondContact O-N 3.49Å; K139-R141 PolarHBondContact O-N 3.39Å
140K50.4Low53.7Low201 Ų201168.5 Ų168.587%0.87479%0.794SS**PPolyproline II helixtrans-50.1120.9163.2-81.8-176.6174.3-178.70103.9K138 P142K138-K140 VanDerWaalsContact C-N 3.33Å; K138-K140 PolarHBondContact O-N 3.33Å; K140-P142 WeakPolarHBondContact O-CD 3.31Å; K140-P142 VanDerWaalsContact O-N 3.11Å
141R41.7Very low51.9Low207 Ų207170.2 Ų170.278%0.78180%0.798SS**PPolyproline II helixtrans-52.7124171.5-86.5174.472.1-156.63.9105K139 Q143K139-R141 PolarHBondContact O-N 3.39Å; R141-Q143 PolarHBondContact O-N 3.16Å; R141-Q143 VanDerWaalsContact O-N 3.16Å
142P50.9Low50Low114 Ų114173.9 Ų173.974%0.7481%0.807SS**PPolyproline II helixtrans-55126.4162.322.9-28.2000105.6K140 Q144K140-P142 WeakPolarHBondContact O-CD 3.31Å; K140-P142 VanDerWaalsContact O-N 3.11Å; P142-Q144 PolarHBondContact O-N 3.05Å
143Q48.1Very low48.2Very low185 Ų185172.4 Ų172.486%0.86480%0.803SS**PPolyproline II helixtrans-56.1127.7167.5-72.1175.86.300105.5R141R141-Q143 PolarHBondContact O-N 3.16Å; R141-Q143 VanDerWaalsContact O-N 3.16Å
144Q37.6Very low46.2Very low157 Ų157168.4 Ų168.473%0.73480%0.801SS**PPolyproline II helixtrans-62.7130.1177.3-75.8176.3-31.300107P142 E146P142-Q144 PolarHBondContact O-N 3.05Å; Q144-E146 PolarHBondContact O-N 2.9Å
145P47.4Very low45.2Very low125 Ų125168 Ų16881%0.81280%0.802SS**PPolyproline II helixtrans-67.4120.416927.6-28.4000106.7H147P145-H147 PolarHBondContact O-N 2.54Å
146E39.2Very low43.8Very low192 Ų192168.6 Ų168.690%0.89781%0.805SS**PPolyproline II helixtrans-70.9125.6169.4-63.1-166.2-172.600107.8Q144Q144-E146 PolarHBondContact O-N 2.9Å
147H38.4Very low43Very low139 Ų139168.6 Ų168.664%0.64481%0.808SS**PPolyproline II helixtrans-65.6127.7175.7162.271.5000110.2P145 E149P145-H147 PolarHBondContact O-N 2.54Å; H147-E149 IonicContact CE1-OE2 4Å
148I33Very low41.9Very low164 Ų164162.7 Ų162.784%0.84180%0.804SS**  trans-133118.8144-73.9135.5000105.9
149E34.7Very low41.3Very low132 Ų132162.9 Ų162.962%0.61781%0.808SS**  trans-89.1152.7164.7-98.7-179.6-169.400109.6H147H147-E149 IonicContact CE1-OE2 4Å
150E35.3Very low40.8Very low159 Ų159160.4 Ų160.474%0.74380%0.804SS**  trans72.8137.1159.3-62.2168.9-165.400116.8
151D31.2Very low40.6Very low133 Ų133156.8 Ų156.871%0.71180%0.801SS**  cis-177.5150.8-15.1-116.3-51.7000104.8
152E34.5Very low41.2Very low172 Ų172150.6 Ų150.680%0.80479%0.794SS**  trans52.3149.5154.9-67.7-16315000120.1
153E38.2Very low41.3Very low162 Ų162152 Ų15276%0.75780%0.795SS**  cis-173.6123.1-10.3173179.1-15000101.6
154S31.6Very low41.7Very low120 Ų120151 Ų15184%0.83980%0.795SS**  trans-164.1112.315644.30000109.5
155E50.7Low43.5Very low190 Ų190146.1 Ų146.189%0.88878%0.779SS**  trans-70.5119.7166-57.2-176.7146.300108.5
156E42.5Very low44.7Very low195 Ų195147 Ų14791%0.91178%0.775SS**  trans-155.3127.9151.7-154.6158-179.900111.1
157E49.4Very low46.2Very low198 Ų198141.5 Ų141.593%0.92576%0.758SS**  trans-63.9144.1-177.4-60.6-176.1139.800112.8
158G38.2Very low48.1Very low75 Ų75140.7 Ų140.777%0.77376%0.755SS**  trans146.980163.600000114.4D160G158-D160 PolarHBondContact O-N 3.38Å
159E40.9Very low50.1Low201 Ų201135.1 Ų135.194%0.93973%0.734SS**  trans-67.5112166.5-68.4176.6163.900110
160D42.7Very low52.5Low147 Ų147133.1 Ų133.179%0.78673%0.726SS**  trans-115.9105.7161.5-148.5-10.6000108.3G158 A162G158-D160 PolarHBondContact O-N 3.38Å; D160-A162 PolarHBondContact O-N 3.11Å
161P46.2Very low54.9Low125 Ų125128.1 Ų128.181%0.81271%0.712SS**  trans-83.353.7-165.434.5-37.4000112.9
162A55.1Low57.4Low77 Ų77129.3 Ų129.364%0.63671%0.711SS**  trans-112.2112.6171.700000110.1D160D160-A162 PolarHBondContact O-N 3.11Å
163L53Low59.9Low144 Ų144127.3 Ų127.375%0.75470%0.702SS**  trans101.173.6165.3-48.1177.6000117.1
164D56.3Low62.2Low165 Ų165124.6 Ų124.688%0.88269%0.689SS**  trans-135.528.4158.8-162.733.2000114.6
165S75.1Confident64.9Low54 Ų54121.5 Ų121.538%0.37867%0.671SS.*  trans-143.5124165.1-163.60000111.3S167 Q168 A169S165-S167 WeakPolarHBondContact CB-OG 3.09Å; S165-S167 PolarHBondContact O-N 3.47Å; S165-S167 PolarHBondContact OG-OG 3.4Å; S165-Q168 WeakPolarHBondContact O-CB 3.17Å; S165-Q168 PolarHBondContact O-N 3.09Å; S165-A169 PolarHBondContact O-N 2.91Å
166L71.6Confident66.7Low142 Ų142117.1 Ų117.174%0.74365%0.65SS**Hα-helixtrans-53.1-24.6171.8-163.3131000111.5I170L166-I170 HydrophobicContact CD2-CD1 3.62Å; L166-I170 HydrophobicContact CG-CD1 4.49Å; L166-I170 WeakPolarHBondContact O-CD1 3.11Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 3.42Å
167S70.9Confident68.9Low77 Ų77112.6 Ų112.654%0.53863%0.63SS.*Hα-helixtrans-66.3-36.7172.1700000114S165 A171S165-S167 WeakPolarHBondContact CB-OG 3.09Å; S165-S167 PolarHBondContact O-N 3.47Å; S165-S167 PolarHBondContact OG-OG 3.4Å; S167-A171 WeakPolarHBondContact O-CB 3.33Å; S167-A171 PolarHBondContact O-N 2.89Å
168Q79.5Confident70.8Confident122 Ų122108.4 Ų108.457%0.5761%0.611SS**Hα-helixtrans-76.1-37.8178.9-104.6158.7-1000112.2S165 I170 A171 F172S165-Q168 WeakPolarHBondContact O-CB 3.17Å; S165-Q168 PolarHBondContact O-N 3.09Å; Q168-I170 VanDerWaalsContact C-N 3.33Å; Q168-I170 PolarHBondContact O-N 3.17Å; Q168-A171 PolarHBondContact O-N 2.84Å; Q168-F172 WeakPolarHBondContact O-CB 3.47Å; Q168-F172 PolarHBondContact O-N 2.84Å
169A75.2Confident73.1Confident48 Ų48110 Ų11040%0.39760%0.598SS.*Hα-helixtrans-62.8-41.5173.300000111.6S165 F172 Q173S165-A169 PolarHBondContact O-N 2.91Å; A169-F172 PolarHBondContact O-N 2.89Å; A169-Q173 WeakPolarHBondContact O-CB 3.25Å; A169-Q173 PolarHBondContact O-N 3.31Å
170I84.3Confident75.2Confident89 Ų89106.1 Ų106.146%0.45658%0.58SS.*Hα-helixtrans-63.3-45.4174.5-68.6166.9000110.6L166 Q168 F172 Q173 Q174L166-I170 HydrophobicContact CD2-CD1 3.62Å; L166-I170 HydrophobicContact CG-CD1 4.49Å; L166-I170 WeakPolarHBondContact O-CD1 3.11Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 3.42Å; Q168-I170 VanDerWaalsContact C-N 3.33Å; Q168-I170 PolarHBondContact O-N 3.17Å; I170-F172 PolarHBondContact O-N 3.31Å; I170-Q173 PolarHBondContact O-N 3.47Å; I170-Q174 WeakPolarHBondContact O-CB 3.24Å; I170-Q174 PolarHBondContact O-N 3.22Å
171A85.1Confident77.2Confident55 Ų55105 Ų10546%0.45557%0.57SS.*Hα-helixtrans-61.9-41.5179.300000112.5S167 Q168 Q174 A175S167-A171 WeakPolarHBondContact O-CB 3.33Å; S167-A171 PolarHBondContact O-N 2.89Å; Q168-A171 PolarHBondContact O-N 2.84Å; A171-Q174 PolarHBondContact O-N 3.06Å; A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 3.1Å
172F85.1Confident79Confident157 Ų157105.7 Ų105.769%0.68956%0.56SS**Hα-helixtrans-64.8-45177.1-175.2-97.7000112Q168 A169 I170 Q174 A175 H176Q168-F172 WeakPolarHBondContact O-CB 3.47Å; Q168-F172 PolarHBondContact O-N 2.84Å; A169-F172 PolarHBondContact O-N 2.89Å; I170-F172 PolarHBondContact O-N 3.31Å; F172-Q174 VanDerWaalsContact C-N 3.29Å; F172-Q174 PolarHBondContact O-N 3.45Å; F172-A175 PolarHBondContact O-N 2.81Å; F172-H176 PolarHBondContact O-N 3.08Å
173Q86.9Confident80.2Confident130 Ų130107.9 Ų107.961%0.60756%0.555SS**Hα-helixtrans-63.6-36.9178-166.2174.45.300111.7A169 I170 M177A169-Q173 WeakPolarHBondContact O-CB 3.25Å; A169-Q173 PolarHBondContact O-N 3.31Å; I170-Q173 PolarHBondContact O-N 3.47Å; Q173-M177 HydrophobicContact CG-CE 4.46Å; Q173-M177 WeakPolarHBondContact O-CG 3.36Å; Q173-M177 PolarHBondContact O-N 3.07Å
174Q86.8Confident81.4Confident106 Ų106108.6 Ų108.650%0.49555%0.552SS.*Hα-helixtrans-70.7-40.4178.2-156.5167.911.100112.2I170 A171 F172 M177 E178I170-Q174 WeakPolarHBondContact O-CB 3.24Å; I170-Q174 PolarHBondContact O-N 3.22Å; A171-Q174 PolarHBondContact O-N 3.06Å; F172-Q174 VanDerWaalsContact C-N 3.29Å; F172-Q174 PolarHBondContact O-N 3.45Å; Q174-M177 PolarHBondContact O-N 3.06Å; Q174-E178 WeakPolarHBondContact O-CG 3.25Å; Q174-E178 PolarHBondContact O-N 3.22Å
175A86.5Confident82.3Confident55 Ų55107.4 Ų107.446%0.45554%0.539SS..Hα-helixtrans-63.3-41.4175.400000112.5A171 F172 E178 E179A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 3.1Å; F172-A175 PolarHBondContact O-N 2.81Å; A175-E178 PolarHBondContact O-N 2.96Å; A175-E179 PolarHBondContact O-N 3.46Å
176H90.4Very high82.3Confident97 Ų97112.2 Ų112.245%0.44955%0.549SS..Hα-helixtrans-63.9-42.5177.2-167.4-77.5000111.9F172 E178 E179 E180F172-H176 PolarHBondContact O-N 3.08Å; H176-E178 PolarHBondContact O-N 3.24Å; H176-E179 PolarHBondContact O-N 3.08Å; H176-E180 IonicContact CE1-OE1 3.46Å; H176-E180 PolarHBondContact CE1-OE1 2.82Å; H176-E180 IonicContact ND1-OE1 3.77Å; H176-E180 PolarHBondContact O-N 2.86Å
177M87.6Confident82.1Confident101 Ų101111.2 Ų111.250%0.49854%0.541SS..Hα-helixtrans-62.9-41175.8-72.3-173.8-64.300112.1Q173 Q174 E180 E181Q173-M177 HydrophobicContact CG-CE 4.46Å; Q173-M177 WeakPolarHBondContact O-CG 3.36Å; Q173-M177 PolarHBondContact O-N 3.07Å; Q174-M177 PolarHBondContact O-N 3.06Å; M177-E180 PolarHBondContact O-N 2.83Å; M177-E181 PolarHBondContact O-N 3.01Å
178E88.9Confident81.8Confident109 Ų109110.3 Ų110.351%0.50954%0.538SS..Hα-helixtrans-67.8-35.9177.9-74.5-178.3-175.700112.9Q174 A175 H176 E181 K182Q174-E178 WeakPolarHBondContact O-CG 3.25Å; Q174-E178 PolarHBondContact O-N 3.22Å; A175-E178 PolarHBondContact O-N 2.96Å; H176-E178 PolarHBondContact O-N 3.24Å; E178-E181 PolarHBondContact O-N 3.18Å; E178-K182 WeakPolarHBondContact O-CB 3.3Å; E178-K182 PolarHBondContact O-N 3.12Å
179E88.2Confident81.2Confident110 Ų110111.2 Ų111.251%0.51454%0.542SS..Hα-helixtrans-69.9-39.5176.5-158.5-171.6147.400111.6A175 H176 K182 K183A175-E179 PolarHBondContact O-N 3.46Å; H176-E179 PolarHBondContact O-N 3.08Å; E179-K182 PolarHBondContact O-N 3.47Å; E179-K183 PolarHBondContact O-N 3.02Å; E179-K183 IonicContact OE1-NZ 3.2Å; E179-K183 PolarHBondContact OE1-NZ 3.04Å
180E84.3Confident80.5Confident119 Ų119114 Ų11456%0.55655%0.547SS*.Hα-helixtrans-63.8-42.6172.3-77.8-168.4151.800112.1H176 M177 K182 K183 K184H176-E180 IonicContact CE1-OE1 3.46Å; H176-E180 PolarHBondContact CE1-OE1 2.82Å; H176-E180 IonicContact ND1-OE1 3.77Å; H176-E180 PolarHBondContact O-N 2.86Å; M177-E180 PolarHBondContact O-N 2.83Å; E180-K182 VanDerWaalsContact C-N 3.34Å; E180-K182 PolarHBondContact O-N 3.42Å; E180-K183 PolarHBondContact O-N 2.96Å; E180-K184 VanDerWaalsContact O-CB 3.29Å; E180-K184 WeakPolarHBondContact O-CB 3.39Å; E180-K184 PolarHBondContact O-N 3.13Å
181E85.3Confident79.2Confident122 Ų122115.2 Ų115.257%0.5755%0.554SS**Hα-helixtrans-62.8-40174.2-81.7-159.5154.900112.2M177 E178 K184 K185M177-E181 PolarHBondContact O-N 3.01Å; E178-E181 PolarHBondContact O-N 3.18Å; E181-K184 PolarHBondContact O-N 3.16Å; E181-K185 WeakPolarHBondContact O-CB 3.34Å; E181-K185 WeakPolarHBondContact O-CG 3.42Å; E181-K185 PolarHBondContact O-N 3.38Å
182K83.1Confident77.7Confident141 Ų141118 Ų11861%0.61356%0.561SS**Hα-helixtrans-64.9-43.7174.8-85178.1178.6170.20111.8E178 E179 E180 K184 K185 R186E178-K182 WeakPolarHBondContact O-CB 3.3Å; E178-K182 PolarHBondContact O-N 3.12Å; E179-K182 PolarHBondContact O-N 3.47Å; E180-K182 VanDerWaalsContact C-N 3.34Å; E180-K182 PolarHBondContact O-N 3.42Å; K182-K184 VanDerWaalsContact C-N 3.33Å; K182-K184 PolarHBondContact O-N 3.01Å; K182-K185 PolarHBondContact O-N 3.25Å; K182-R186 WeakPolarHBondContact O-CG 3.47Å; K182-R186 PolarHBondContact O-N 2.85Å
183K80.5Confident76.2Confident122 Ų122113.4 Ų113.453%0.5355%0.552SS.*Hα-helixtrans-60.6-44.2174.6-81.4177.1-178.3161.90110.9E179 E180 K185 R186 Q187E179-K183 PolarHBondContact O-N 3.02Å; E179-K183 IonicContact OE1-NZ 3.2Å; E179-K183 PolarHBondContact OE1-NZ 3.04Å; E180-K183 PolarHBondContact O-N 2.96Å; K183-K185 PolarHBondContact O-N 2.84Å; K183-R186 PolarHBondContact O-N 3.11Å; K183-Q187 WeakPolarHBondContact O-CB 3.42Å; K183-Q187 PolarHBondContact O-N 3.43Å
184K77.1Confident74.5Confident160 Ų160114.2 Ų114.270%0.69656%0.556SS**Hα-helixtrans-66.1-37.5178.8-161.2172.6-175.2178.10112.7E180 E181 K182 A188E180-K184 VanDerWaalsContact O-CB 3.29Å; E180-K184 WeakPolarHBondContact O-CB 3.39Å; E180-K184 PolarHBondContact O-N 3.13Å; E181-K184 PolarHBondContact O-N 3.16Å; K182-K184 VanDerWaalsContact C-N 3.33Å; K182-K184 PolarHBondContact O-N 3.01Å; K184-A188 WeakPolarHBondContact O-CB 3.44Å; K184-A188 PolarHBondContact O-N 3.48Å
185K75.5Confident72.6Confident139 Ų139112.7 Ų112.760%0.60456%0.562SS**Hα-helixtrans-66.1-43.8173-79.3176.9179.8170.60112.2E181 K182 K183 A188 E189E181-K185 WeakPolarHBondContact O-CB 3.34Å; E181-K185 WeakPolarHBondContact O-CG 3.42Å; E181-K185 PolarHBondContact O-N 3.38Å; K182-K185 PolarHBondContact O-N 3.25Å; K183-K185 PolarHBondContact O-N 2.84Å; K185-A188 PolarHBondContact O-N 3.19Å; K185-E189 PolarHBondContact O-N 3.3Å
186R74.8Confident70.7Confident156 Ų156114.6 Ų114.659%0.58957%0.571SS**Hα-helixtrans-62.9-42.4175.9-73.2-179.965.2-151.4-6.8112.1K182 K183 A188 E189 E190K182-R186 WeakPolarHBondContact O-CG 3.47Å; K182-R186 PolarHBondContact O-N 2.85Å; K183-R186 PolarHBondContact O-N 3.11Å; R186-A188 VanDerWaalsContact C-N 3.35Å; R186-E189 PolarHBondContact O-N 2.89Å; R186-E190 WeakPolarHBondContact O-CG 3.4Å; R186-E190 PolarHBondContact O-N 2.78Å
187Q68.3Low68.7Low121 Ų121115.4 Ų115.457%0.56558%0.584SS**Hα-helixtrans-65.3-39.1177.2-156.5168.422.100111.4K183 E189 E190 D191K183-Q187 WeakPolarHBondContact O-CB 3.42Å; K183-Q187 PolarHBondContact O-N 3.43Å; Q187-E189 PolarHBondContact O-N 3.19Å; Q187-E190 PolarHBondContact O-N 2.92Å; Q187-D191 PolarHBondContact O-N 3.44Å
188A65.3Low66.4Low57 Ų57115.8 Ų115.847%0.47160%0.596SS.*Hα-helixtrans-67.6-30.7173.200000113.6K184 K185 R186 N192K184-A188 WeakPolarHBondContact O-CB 3.44Å; K184-A188 PolarHBondContact O-N 3.48Å; K185-A188 PolarHBondContact O-N 3.19Å; R186-A188 VanDerWaalsContact C-N 3.35Å; A188-N192 WeakPolarHBondContact O-CB 3.15Å; A188-N192 PolarHBondContact O-N 3.13Å
189E66.5Low64.2Low141 Ų141116.1 Ų116.166%0.65961%0.611SS**Hα-helixtrans-71.9-38.9172.4-108.7176.1157.900112.1K185 R186 Q187 N192 A193K185-E189 PolarHBondContact O-N 3.3Å; R186-E189 PolarHBondContact O-N 2.89Å; Q187-E189 PolarHBondContact O-N 3.19Å; E189-N192 PolarHBondContact O-N 3.48Å; E189-A193 WeakPolarHBondContact O-CB 3.21Å; E189-A193 PolarHBondContact O-N 3.25Å
190E59.9Low61.9Low108 Ų108117.6 Ų117.651%0.50562%0.622SS.*Hα-helixtrans-66-41.1175.2-74.5173.6175.200111.6R186 Q187 N192 A193 H194R186-E190 WeakPolarHBondContact O-CG 3.4Å; R186-E190 PolarHBondContact O-N 2.78Å; Q187-E190 PolarHBondContact O-N 2.92Å; E190-N192 VanDerWaalsContact C-N 3.3Å; E190-N192 PolarHBondContact O-N 3.36Å; E190-A193 PolarHBondContact O-N 3.47Å; E190-H194 PolarHBondContact O-CD2 3.28Å; E190-H194 PolarHBondContact O-N 2.94Å; E190-H194 VanDerWaalsContact O-N 3.07Å
191D57.3Low60.3Low114 Ų114115.9 Ų115.961%0.6162%0.623SS**Hα-helixtrans-65.7-30.8173.8-72.1-30.9000112.4Q187 A195Q187-D191 PolarHBondContact O-N 3.44Å; D191-A195 PolarHBondContact O-N 2.63Å
192N54.6Low58.4Low112 Ų112119.5 Ų119.560%0.59964%0.637SS**Hα-helixtrans-78.9-34.6176.7-151-72.6000112.6A188 E189 E190 A195 S196A188-N192 WeakPolarHBondContact O-CB 3.15Å; A188-N192 PolarHBondContact O-N 3.13Å; E189-N192 PolarHBondContact O-N 3.48Å; E190-N192 VanDerWaalsContact C-N 3.3Å; E190-N192 PolarHBondContact O-N 3.36Å; N192-A195 PolarHBondContact O-N 3.47Å; N192-S196 PolarHBondContact O-OG 3.16Å
193A52.5Low57.1Low61 Ų61122.9 Ų122.950%0.50465%0.651SS.*Hα-helixtrans-67.2-35.9173.900000112.1E189 E190 A195 S196E189-A193 WeakPolarHBondContact O-CB 3.21Å; E189-A193 PolarHBondContact O-N 3.25Å; E190-A193 PolarHBondContact O-N 3.47Å; A193-A195 VanDerWaalsContact C-N 3.3Å; A193-A195 PolarHBondContact O-N 3.41Å; A193-S196 PolarHBondContact O-N 3.28Å
194H51.4Low55.6Low147 Ų147123.2 Ų123.268%0.68167%0.666SS**Hα-helixtrans-70.7-20.1174-85.8-65.9000114.2E190 S196E190-H194 PolarHBondContact O-CD2 3.28Å; E190-H194 PolarHBondContact O-N 2.94Å; E190-H194 VanDerWaalsContact O-N 3.07Å; H194-S196 VanDerWaalsContact C-N 3.33Å
195A46.9Very low54.4Low75 Ų75126 Ų12662%0.6267%0.672SS**THydrogen-bonded Turntrans-79.8-11.5172.700000113.8D191 N192 A193D191-A195 PolarHBondContact O-N 2.63Å; N192-A195 PolarHBondContact O-N 3.47Å; A193-A195 VanDerWaalsContact C-N 3.3Å; A193-A195 PolarHBondContact O-N 3.41Å
196S47.3Very low53.2Low94 Ų94124.9 Ų124.966%0.65767%0.672SS**THydrogen-bonded Turntrans-103.98.5-174.1-58.50000114.6N192 A193 H194N192-S196 PolarHBondContact O-OG 3.16Å; A193-S196 PolarHBondContact O-N 3.28Å; H194-S196 VanDerWaalsContact C-N 3.33Å
197T46.9Very low52Low115 Ų115126.2 Ų126.271%0.70668%0.682SS**SBendtrans-121.855.7174.557.10000112.4
198S39.6Very low51.5Low108 Ų108130.6 Ų130.676%0.75570%0.699SS**  trans-15482.8160570000112.8
199S42.1Very low50.6Low117 Ų117133.3 Ų133.382%0.81871%0.714SS**  trans-105.398.3149.759.40000107.8
200D40.8Very low50.1Low141 Ų141131 Ų13175%0.75472%0.72SS**  -179124.4115.3-136.5-101.1000112.8
201S51.5Low49.6Very low83 Ų83136 Ų13658%0.5874%0.735SS**  trans47.5110.7145.266.10000122.7
202K44.5Very low48.7Very low198 Ų198139.4 Ų139.486%0.86175%0.745SS**  168.3126.8101.7-89.4158.3-175.1170.20111
203K55.4Low48.2Very low211 Ų211137.7 Ų137.792%0.91774%0.742SS**PPolyproline II helixtrans-71.1132.9175.9-72.5169.2174.4174.60111.6
204P48.5Very low47.8Very low130 Ų130141.9 Ų141.984%0.84476%0.756SS**PPolyproline II helixtrans-98.1137.8151.530.7-22.3000111.1
205R53.9Low48Very low217 Ų217142.4 Ų142.482%0.81976%0.759SS**PPolyproline II helixtrans-93.4135.4-177.2-106.3169.662.2157-0.2110.2
206I48.6Very low48.2Very low116 Ų116145.9 Ų145.960%0.59576%0.762SS**  trans73.2136.2141-56.4166.9000114.3
207K49.7Very low48.5Very low184 Ų184148.1 Ų148.180%0.876%0.762SS**  -168.3148.150.9-139.8154.7-107.9-174.70108.8S209K207-S209 PolarHBondContact O-N 2.95Å
208K59.4Low48.6Very low214 Ų214149 Ų14993%0.9376%0.762SS**  trans-76.2115.1161.6-77.4174.6175.81760107.6
209S46Very low49.1Very low113 Ų113148.3 Ų148.379%0.7976%0.757SS**  trans-117.6133.9161.353.60000109.1K207K207-S209 PolarHBondContact O-N 2.95Å
210A55.6Low49.6Very low93 Ų93154 Ų15477%0.76978%0.779SS**  trans-67.4157.6-178.500000111.6
211Y48.2Very low50Low212 Ų212154.7 Ų154.783%0.83178%0.78SS**  trans104.1120.1137.7-147.9-110.2000116.7S213Y211-S213 WeakPolarHBondContact CE1-O 3.4Å
212F39.6Very low50Low187 Ų187158.5 Ų158.582%0.8279%0.79SS**  trans-105.8127.6173.3-172.5-92.6000105.2
213S43.6Very low50.3Low76 Ų76156.3 Ų156.353%0.53179%0.786SS.*  trans79.2140.1159.9-77.90000123.5Y211Y211-S213 WeakPolarHBondContact CE1-O 3.4Å
214D45.2Very low50Low149 Ų149153.1 Ų153.180%0.79778%0.779SS**  trans76.4124176.8-75.1-11.3000117.4
215E54.1Low50Low158 Ų158154.5 Ų154.574%0.73878%0.775SS**  cis-156.716324.8-124.3177.6138.600112.2
216E52.2Low49.8Very low147 Ų147150.3 Ų150.369%0.68777%0.772SS**  trans65141.4154.8-65.9-169.915300120.5
217E52.7Low49.9Very low141 Ų141152.8 Ų152.866%0.65978%0.784SS**  cis-168.9147.19.2-120.6179.2155.400110.2
218L49.8Very low49.9Very low134 Ų134150.4 Ų150.470%0.70278%0.783SS**  trans46.2110.7137.2-70.5161.5000120
219S49.4Very low49.1Very low94 Ų94145.1 Ų145.166%0.65777%0.771SS**  73.6119.281.976.60000115.7
220D52.9Low49.4Very low237 Ų237148 Ų148100%1.26777%0.769SS**  -159.40104.9-140.9-85.7000108.5

Retrieved 220 of 220 residues in 325.5 ms (Link to these results)