A0A3Q0KBB7_SCHMA Loading...

Ndr family, putative

AlphaFold DB , UniProt , Accession A0A3Q0KBB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 347 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
1M32.5Very low64.8Low218 Ų21888 Ų88100%1.07453%0.527SS*.  0111.40-75.1-92-85.600104.7G3M1-G3 PolarHBondContact O-N 3.07Å
2A37.8Very low67.5Low97 Ų9785.8 Ų85.880%0.80251%0.507SS*.  trans-59.7123.5167.900000106I4A2-I4 PolarHBondContact O-N 3.3Å
3G42.3Very low69.9Low30 Ų3084.9 Ų84.931%0.30950%0.503SS..  trans-47.1129.1174.400000108.4M1 G5M1-G3 PolarHBondContact O-N 3.07Å; G3-G5 VanDerWaalsContact C-N 3.26Å; G3-G5 PolarHBondContact O-N 3.38Å
4I47.1Very low71.9Confident155 Ų15579.3 Ų79.380%0.79547%0.469SS*.  trans-62.1103.5167.2-59.3170.7000102.8A2A2-I4 PolarHBondContact O-N 3.3Å
5G56Low73.6Confident30 Ų3082 Ų8231%0.30948%0.48SS..  trans-43.5146.2-173.300000112.5G3 A7 E9G3-G5 VanDerWaalsContact C-N 3.26Å; G3-G5 PolarHBondContact O-N 3.38Å; G5-A7 PolarHBondContact O-N 3.34Å; G5-E9 VanDerWaalsContact C-OE1 3.31Å; G5-E9 WeakPolarHBondContact CA-OE1 3.09Å
6M66.7Low75.2Confident5 Ų578.1 Ų78.13%0.02546%0.458CS..  trans-55.5131.6-177.6-64.5-168.8-63.900108.8N8 E9 Y47 E50 V53 H69M6-N8 PolarHBondContact O-N 3.38Å; M6-E9 WeakPolarHBondContact CB-OE2 3.31Å; M6-E9 VanDerWaalsContact N-CD 3.27Å; M6-E9 PolarHBondContact N-OE1 3.08Å; M6-E9 VanDerWaalsContact N-OE1 3.11Å; M6-E9 PolarHBondContact N-OE2 3.3Å; M6-E9 WeakPolarHBondContact O-CB 3.46Å; M6-E9 VanDerWaalsContact O-CG 3.29Å; M6-E9 WeakPolarHBondContact O-CG 3.5Å; M6-E9 PolarHBondContact O-N 2.89Å; M6-E9 VanDerWaalsContact O-N 3.15Å; M6-Y47 HydrophobicContact CG-CD1 4.3Å; M6-Y47 HydrophobicContact CG-CE1 4.39Å; M6-E50 HydrophobicContact CG-CB 3.98Å; M6-E50 HydrophobicContact CG-CG 3.83Å; M6-E50 HydrophobicContact SD-CB 3.83Å; M6-E50 HydrophobicContact SD-CG 4.23Å; M6-V53 HydrophobicContact SD-CG2 4.23Å; M6-H69 WeakPolarHBondContact CE-CD2 3.39Å; M6-H69 WeakPolarHBondContact CE-NE2 3.42Å
7A67.3Low76.4Confident72 Ų7281.6 Ų81.660%0.59547%0.469SS*.THydrogen-bonded Turntrans-54.5130.8-174.600000111.3G5G5-A7 PolarHBondContact O-N 3.34Å
8N80.6Confident77.6Confident143 Ų14378.8 Ų78.877%0.76545%0.453SS*.THydrogen-bonded Turntrans66.531.8-179-51.5-49.5000115.8M6 G27M6-N8 PolarHBondContact O-N 3.38Å; N8-G27 PolarHBondContact O-N 2.69Å
9E89.8Confident78.6Confident46 Ų4675.3 Ų75.322%0.21543%0.433CS..EExtended strand (participates in β ladder)trans-85.7142168.874.2-169.6174.100112.8G5 M6 V25 H46G5-E9 VanDerWaalsContact C-OE1 3.31Å; G5-E9 WeakPolarHBondContact CA-OE1 3.09Å; M6-E9 WeakPolarHBondContact CB-OE2 3.31Å; M6-E9 VanDerWaalsContact N-CD 3.27Å; M6-E9 PolarHBondContact N-OE1 3.08Å; M6-E9 VanDerWaalsContact N-OE1 3.11Å; M6-E9 PolarHBondContact N-OE2 3.3Å; M6-E9 WeakPolarHBondContact O-CB 3.46Å; M6-E9 VanDerWaalsContact O-CG 3.29Å; M6-E9 WeakPolarHBondContact O-CG 3.5Å; M6-E9 PolarHBondContact O-N 2.89Å; M6-E9 VanDerWaalsContact O-N 3.15Å; E9-V25 CarbonylContact C-O 3.5Å; E9-V25 WeakPolarHBondContact CA-O 3.34Å; E9-H46 IonicContact OE2-NE2 3.11Å
10T95.5Very high79.6Confident75 Ų7576.6 Ų76.646%0.4644%0.436SS..EExtended strand (participates in β ladder)trans-110.6122166.6-53.20000108.5H12 V25T10-H12 WeakPolarHBondContact CG2-NE2 2.98Å; T10-H12 PolarHBondContact O-CD2 3.27Å; T10-V25 PolarHBondContact N-O 3.39Å; T10-V25 PolarHBondContact O-N 3.01Å
11H96.7Very high80.5Confident97 Ų9773 Ų7345%0.44942%0.415SS..EExtended strand (participates in β ladder)trans-86.1134.1177.4175.7-137.2000111.2N22 F24H11-N22 PolarHBondContact CE1-OD1 2.87Å; H11-N22 PolarHBondContact NE2-OD1 2.91Å; H11-F24 HydrophobicContact CB-CD1 3.98Å; H11-F24 HydrophobicContact CB-CE1 3.88Å; H11-F24 AromaticContact CD2-CD1 3.99Å; H11-F24 AromaticContact CD2-CE1 3.49Å; H11-F24 VanDerWaalsContact CD2-CE1 3.49Å; H11-F24 WeakPolarHBondContact CD2-CE1 3.47Å; H11-F24 AromaticContact CD2-CZ 3.55Å; H11-F24 AromaticContact CG-CE1 3.74Å; H11-F24 AromaticContact NE2-CZ 3.93Å
12H97.9Very high83.6Confident62 Ų6263.8 Ų63.829%0.28737%0.37SS..EExtended strand (participates in β ladder)trans-127.7135.8174.1-59.9-93.2000109T10 I14 V23T10-H12 WeakPolarHBondContact CG2-NE2 2.98Å; T10-H12 PolarHBondContact O-CD2 3.27Å; H12-I14 HydrophobicContact CB-CD1 4.26Å; H12-I14 HydrophobicContact CB-CG1 4.09Å; H12-V23 HydrophobicContact CB-CB 4.38Å; H12-V23 PolarHBondContact N-O 3.16Å; H12-V23 PolarHBondContact O-N 2.98Å
13V98.1Very high86.5Confident74 Ų7459.2 Ų59.245%0.44833%0.332SS..EExtended strand (participates in β ladder)trans-101.8116.8166.1-1770000106.8Q20V13-Q20 HydrophobicContact CG1-CG 3.45Å; V13-Q20 VanDerWaalsContact CG1-CG 3.45Å
14I98.5Very high89.2Confident6 Ų658.8 Ų58.83%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-117.3114-174.6-59.5179.3000109.2H12 T16 Q20 L21 V23 V101 N104 L105H12-I14 HydrophobicContact CB-CD1 4.26Å; H12-I14 HydrophobicContact CB-CG1 4.09Å; I14-T16 HydrophobicContact CG2-CG2 4.13Å; I14-T16 PolarHBondContact O-N 2.79Å; I14-Q20 WeakPolarHBondContact O-CA 3.44Å; I14-L21 PolarHBondContact N-O 2.97Å; I14-L21 PolarHBondContact O-N 2.96Å; I14-V23 HydrophobicContact CD1-CB 4.25Å; I14-V23 HydrophobicContact CD1-CG2 4.02Å; I14-V23 HydrophobicContact CG1-CG2 4.39Å; I14-V101 HydrophobicContact CB-CG2 4.37Å; I14-V101 HydrophobicContact CD1-CB 4.42Å; I14-V101 HydrophobicContact CD1-CG1 4.09Å; I14-V101 HydrophobicContact CD1-CG2 4.22Å; I14-V101 HydrophobicContact CG2-CG2 4.21Å; I14-N104 HydrophobicContact CD1-CB 4.18Å; I14-N104 HydrophobicContact CG2-CB 4.19Å; I14-L105 HydrophobicContact CD1-CD2 4.29Å; I14-L105 HydrophobicContact CD1-CG 4.16Å
15D98Very high91.5Very high120 Ų12051.7 Ų51.764%0.64229%0.286SS*.EExtended strand (participates in β ladder)trans-77.7111.4168.9-65.2-57.2000109.7Q20D15-Q20 WeakPolarHBondContact OD1-CB 3.4Å; D15-Q20 WeakPolarHBondContact OD1-CG 3.41Å; D15-Q20 PolarHBondContact OD1-NE2 3.16Å
16T98.2Very high93.4Very high19 Ų1950.9 Ų50.912%0.11727%0.274CS..  trans-98.2171.9174.875.20000110.4I14 V18 C19 L21 A97 D100 V101I14-T16 HydrophobicContact CG2-CG2 4.13Å; I14-T16 PolarHBondContact O-N 2.79Å; T16-V18 PolarHBondContact O-N 3.44Å; T16-V18 VanDerWaalsContact O-N 3.16Å; T16-V18 PolarHBondContact OG1-N 2.66Å; T16-C19 WeakPolarHBondContact CB-O 3.32Å; T16-C19 PolarHBondContact N-O 3.33Å; T16-C19 PolarHBondContact OG1-N 2.91Å; T16-C19 PolarHBondContact OG1-O 2.69Å; T16-L21 HydrophobicContact CG2-CD1 4.26Å; T16-A97 HydrophobicContact CG2-CB 4.03Å; T16-A97 WeakPolarHBondContact CG2-O 3.48Å; T16-A97 WeakPolarHBondContact OG1-CB 3.34Å; T16-D100 HydrophobicContact CG2-CB 3.86Å; T16-V101 HydrophobicContact CG2-CG2 4.19Å
17E95.9Very high94.6Very high138 Ų13852.6 Ų52.665%0.64529%0.293SS*.SBendtrans-59.2-26.2173-167-163.8132.500112.4R93 D100E17-R93 IonicContact OE1-NH2 3.83Å; E17-R93 PolarHBondContact OE1-NH2 2.8Å; E17-D100 PolarHBondContact N-OD2 3.44Å; E17-D100 VanDerWaalsContact N-OD2 3.16Å
18V97.6Very high95.9Very high32 Ų3258.1 Ų58.119%0.19430%0.298CS..SBendtrans-98.6-42.9-171.4175.10000112.8T16 P89 R93 D96 A97T16-V18 PolarHBondContact O-N 3.44Å; T16-V18 VanDerWaalsContact O-N 3.16Å; T16-V18 PolarHBondContact OG1-N 2.66Å; V18-P89 HydrophobicContact CG1-CB 3.59Å; V18-P89 HydrophobicContact CG1-CG 3.77Å; V18-R93 HydrophobicContact CG1-CB 3.85Å; V18-R93 HydrophobicContact CG2-CB 4.31Å; V18-D96 HydrophobicContact CG2-CB 3.87Å; V18-A97 HydrophobicContact CB-CB 4.08Å
19C97.8Very high96.5Very high11 Ų1154 Ų547%0.07428%0.276CS..  trans-166.9162.6-178.155.40000111.7T16 P73 P89T16-C19 WeakPolarHBondContact CB-O 3.32Å; T16-C19 PolarHBondContact N-O 3.33Å; T16-C19 PolarHBondContact OG1-N 2.91Å; T16-C19 PolarHBondContact OG1-O 2.69Å; C19-P73 HydrophobicContact CB-CG 3.89Å; C19-P89 HydrophobicContact CB-CG 3.65Å
20Q97.9Very high96.7Very high102 Ų10255.4 Ų55.448%0.47728%0.283SS..EExtended strand (participates in β ladder)trans-75.9135.9165-172.7175.995.200109.9V13 I14 D15V13-Q20 HydrophobicContact CG1-CG 3.45Å; V13-Q20 VanDerWaalsContact CG1-CG 3.45Å; I14-Q20 WeakPolarHBondContact O-CA 3.44Å; D15-Q20 WeakPolarHBondContact OD1-CB 3.4Å; D15-Q20 WeakPolarHBondContact OD1-CG 3.41Å; D15-Q20 PolarHBondContact OD1-NE2 3.16Å
21L98.5Very high96.4Very high1 Ų158.9 Ų58.91%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-124.1137.3177.4-67174.1000110.8I14 T16 V23 I70 P73 A97 F98 V101I14-L21 PolarHBondContact N-O 2.97Å; I14-L21 PolarHBondContact O-N 2.96Å; T16-L21 HydrophobicContact CG2-CD1 4.26Å; L21-V23 HydrophobicContact CB-CG2 4.11Å; L21-I70 HydrophobicContact CB-CG2 4.45Å; L21-I70 HydrophobicContact CD1-CG2 4Å; L21-I70 HydrophobicContact CD2-CG2 3.99Å; L21-I70 HydrophobicContact CG-CG2 4.38Å; L21-P73 HydrophobicContact CD2-CG 4.19Å; L21-A97 HydrophobicContact CD1-CB 3.75Å; L21-F98 HydrophobicContact CD1-CD1 4.02Å; L21-F98 HydrophobicContact CD1-CE1 4.18Å; L21-V101 HydrophobicContact CD1-CG2 3.82Å
22N98.2Very high96Very high25 Ų2559 Ų5913%0.13432%0.319CS..EExtended strand (participates in β ladder)trans-81.7124.1163.8-75.5-55.3000108.1H11 F24 D71 E79H11-N22 PolarHBondContact CE1-OD1 2.87Å; H11-N22 PolarHBondContact NE2-OD1 2.91Å; N22-F24 HydrophobicContact CB-CE2 3.87Å; N22-F24 HydrophobicContact CB-CZ 4.33Å; N22-D71 HydrophobicContact CB-CB 3.91Å; N22-D71 PolarHBondContact O-N 3.41Å; N22-E79 PolarHBondContact ND2-OE1 3.08Å
23V98.5Very high95.8Very high0 Ų059 Ų590%032%0.318CS..EExtended strand (participates in β ladder)trans-127.7124.8-175.6-176.30000110H12 I14 L21 V68 H69 I70 V101 L105H12-V23 HydrophobicContact CB-CB 4.38Å; H12-V23 PolarHBondContact N-O 3.16Å; H12-V23 PolarHBondContact O-N 2.98Å; I14-V23 HydrophobicContact CD1-CB 4.25Å; I14-V23 HydrophobicContact CD1-CG2 4.02Å; I14-V23 HydrophobicContact CG1-CG2 4.39Å; L21-V23 HydrophobicContact CB-CG2 4.11Å; V23-V68 HydrophobicContact CG1-CG1 3.58Å; V23-H69 CarbonylContact C-O 3.53Å; V23-H69 WeakPolarHBondContact CA-O 3.34Å; V23-I70 HydrophobicContact CG2-CG1 4.41Å; V23-V101 HydrophobicContact CG1-CG1 3.98Å; V23-V101 HydrophobicContact CG2-CG1 3.95Å; V23-V101 HydrophobicContact CG2-CG2 3.91Å; V23-L105 HydrophobicContact CG1-CD1 4.04Å
24F97.7Very high95.7Very high22 Ų2256.3 Ų56.310%0.09630%0.302CS..EExtended strand (participates in β ladder)trans-113.8116.6-176.9-58.7-95.4000109.6H11 N22 H46 V68 H69 D71H11-F24 HydrophobicContact CB-CD1 3.98Å; H11-F24 HydrophobicContact CB-CE1 3.88Å; H11-F24 AromaticContact CD2-CD1 3.99Å; H11-F24 AromaticContact CD2-CE1 3.49Å; H11-F24 VanDerWaalsContact CD2-CE1 3.49Å; H11-F24 WeakPolarHBondContact CD2-CE1 3.47Å; H11-F24 AromaticContact CD2-CZ 3.55Å; H11-F24 AromaticContact CG-CE1 3.74Å; H11-F24 AromaticContact NE2-CZ 3.93Å; N22-F24 HydrophobicContact CB-CE2 3.87Å; N22-F24 HydrophobicContact CB-CZ 4.33Å; F24-H46 HydrophobicContact CD2-CB 4.44Å; F24-H46 AromaticContact CD2-CE1 3.71Å; F24-H46 AromaticContact CD2-CG 3.83Å; F24-H46 AromaticContact CD2-ND1 3.46Å; F24-H46 WeakPolarHBondContact CD2-ND1 3.37Å; F24-H46 AromaticContact CE1-CE1 3.81Å; F24-H46 AromaticContact CE2-CE1 3.46Å; F24-H46 VanDerWaalsContact CE2-CE1 3.46Å; F24-H46 WeakPolarHBondContact CE2-CE1 3.49Å; F24-H46 AromaticContact CE2-ND1 3.36Å; F24-H46 WeakPolarHBondContact CE2-ND1 3.46Å; F24-H46 AromaticContact CG-CE1 4Å; F24-H46 AromaticContact CZ-CE1 3.52Å; F24-H46 AromaticContact CZ-ND1 3.92Å; F24-V68 WeakPolarHBondContact O-CA 3.47Å; F24-H69 HydrophobicContact CB-CB 4.33Å; F24-H69 PolarHBondContact N-O 2.82Å; F24-H69 PolarHBondContact O-N 3.29Å; F24-D71 HydrophobicContact CE2-CB 4.28Å; F24-D71 WeakPolarHBondContact CE2-OD2 3.46Å
25V97.2Very high95.7Very high6 Ų656.4 Ų56.44%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-99.5106.7179.7-1780000109E9 T10 I29 T66 W67 V68 L105E9-V25 CarbonylContact C-O 3.5Å; E9-V25 WeakPolarHBondContact CA-O 3.34Å; T10-V25 PolarHBondContact N-O 3.39Å; T10-V25 PolarHBondContact O-N 3.01Å; V25-I29 HydrophobicContact CG1-CD1 4.15Å; V25-I29 HydrophobicContact CG1-CG1 4.03Å; V25-T66 HydrophobicContact CG1-CG2 3.88Å; V25-W67 CarbonylContact C-O 3.59Å; V25-W67 WeakPolarHBondContact CA-O 3.33Å; V25-V68 HydrophobicContact CG2-CG2 4.33Å; V25-L105 HydrophobicContact CG2-CD1 3.98Å; V25-L105 HydrophobicContact CG2-CD2 4.49Å
26Q94.6Very high95.7Very high13 Ų1350.7 Ų50.76%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-93.7112.4174.6-166.6-17529.700110.1W67Q26-W67 HydrophobicContact CB-CB 4.22Å; Q26-W67 PolarHBondContact N-O 3.36Å; Q26-W67 PolarHBondContact O-N 3.35Å
27G92.7Very high95.7Very high41 Ų4149.8 Ų49.842%0.42327%0.267SS..SBendtrans96.3-161.4-173.100000113.3N8N8-G27 PolarHBondContact O-N 2.69Å
28R93.4Very high95.9Very high187 Ų18743.2 Ų43.271%0.70624%0.236SC*.  trans-121.2121.6-173.3-172.8177.7-177.8173.42.3111.3M30 T66R28-M30 HydrophobicContact CG-CG 4.14Å; R28-M30 PolarHBondContact O-N 3.49Å; R28-T66 VanDerWaalsContact C-OG1 3.25Å; R28-T66 PolarHBondContact O-OG1 3.36Å
29I95Very high95.9Very high58 Ų5841.7 Ų41.730%0.29723%0.227SC..  trans-63.1117.6174.8-58.9169.4000109V25 T66 L105 I107V25-I29 HydrophobicContact CG1-CD1 4.15Å; V25-I29 HydrophobicContact CG1-CG1 4.03Å; I29-T66 HydrophobicContact CG1-CG2 3.93Å; I29-L105 HydrophobicContact CD1-CB 4.02Å; I29-L105 HydrophobicContact CD1-CD1 4.46Å; I29-I107 HydrophobicContact CD1-CD1 3.95Å; I29-I107 HydrophobicContact CD1-CG1 4.05Å; I29-I107 HydrophobicContact CG2-CG1 4.06Å
30M93.2Very high95.9Very high75 Ų7541.1 Ų41.137%0.36922%0.223SC..  trans-139.5142.8-179.7-65.4-177.573.500109.6R28 S32 K33R28-M30 HydrophobicContact CG-CG 4.14Å; R28-M30 PolarHBondContact O-N 3.49Å; M30-S32 PolarHBondContact O-N 2.85Å; M30-S32 VanDerWaalsContact O-N 3.08Å; M30-K33 HydrophobicContact CB-CB 4.39Å; M30-K33 HydrophobicContact CB-CG 4.22Å; M30-K33 PolarHBondContact O-N 3.4Å; M30-K33 VanDerWaalsContact O-N 3.09Å; M30-K33 HydrophobicContact SD-CD 4.37Å
31P89.2Confident95.9Very high147 Ų14736.4 Ų36.496%0.95520%0.201SC*.THydrogen-bonded Turntrans-58.2-25.2179.1-26.434.8000114.9
32S87.6Confident95.8Very high101 Ų10136.4 Ų36.471%0.70620%0.201SC*.THydrogen-bonded Turntrans-90.2-4.8-178.656.50000114.5M30M30-S32 PolarHBondContact O-N 2.85Å; M30-S32 VanDerWaalsContact O-N 3.08Å
33K93.3Very high95.6Very high61 Ų6135.3 Ų35.327%0.26520%0.196SC..SBendtrans-109.2130.6-178.8-69.8-166.2174.4-162.70110.2M30 Q63 R64M30-K33 HydrophobicContact CB-CB 4.39Å; M30-K33 HydrophobicContact CB-CG 4.22Å; M30-K33 PolarHBondContact O-N 3.4Å; M30-K33 VanDerWaalsContact O-N 3.09Å; M30-K33 HydrophobicContact SD-CD 4.37Å; K33-Q63 PolarHBondContact NZ-O 2.93Å; K33-R64 WeakPolarHBondContact CG-O 3.28Å
34P96.4Very high95.5Very high18 Ų1835.6 Ų35.612%0.11720%0.198CC..  trans-60.8141.4168.527.2-34.6000110R64 S65 T66 L302 L303P34-R64 WeakPolarHBondContact CD-O 3.25Å; P34-S65 WeakPolarHBondContact O-CA 3.37Å; P34-S65 WeakPolarHBondContact O-CB 3.35Å; P34-T66 PolarHBondContact O-N 3.09Å; P34-L302 HydrophobicContact CB-CD1 4.18Å; P34-L303 HydrophobicContact CG-CD2 3.93Å; P34-L303 HydrophobicContact CG-CG 4.24Å
35V98.3Very high95.5Very high7 Ų734.9 Ų34.94%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-106.7125.2176.3-177.60000108.9T66 V68 I107 V110 V111V35-T66 CarbonylContact C-O 3.51Å; V35-T66 VanDerWaalsContact CA-O 3.29Å; V35-T66 WeakPolarHBondContact CA-O 3.45Å; V35-V68 HydrophobicContact CG1-CB 4.4Å; V35-V68 HydrophobicContact CG1-CG2 3.6Å; V35-I107 HydrophobicContact CB-CG2 4.14Å; V35-I107 HydrophobicContact CG1-CD1 4.1Å; V35-I107 HydrophobicContact CG1-CG2 4.2Å; V35-I107 HydrophobicContact CG2-CG2 4.15Å; V35-V110 HydrophobicContact CB-CG1 4.23Å; V35-V110 HydrophobicContact CG1-CG1 4.14Å; V35-V110 CarbonylContact O-C 3.59Å; V35-V110 VanDerWaalsContact O-CA 3.27Å; V35-V110 WeakPolarHBondContact O-CA 3.15Å; V35-V111 PolarHBondContact O-N 2.99Å
36F98.5Very high95.4Very high0 Ų034.8 Ų34.80%019%0.194CC..EExtended strand (participates in β ladder)trans-91.6124.5171.3-69.4-83.4000109.4I61 S65 T66 W67 V68 V111 F113 I137 M293 L297F36-I61 HydrophobicContact CE2-CG2 4.18Å; F36-I61 HydrophobicContact CZ-CG2 4.36Å; F36-S65 VanDerWaalsContact CE2-CB 3.47Å; F36-T66 PolarHBondContact N-O 3.18Å; F36-W67 HydrophobicContact CB-CD2 3.71Å; F36-W67 HydrophobicContact CB-CE3 3.79Å; F36-W67 HydrophobicContact CB-CG 4.16Å; F36-W67 HydrophobicContact CB-CH2 4.24Å; F36-W67 HydrophobicContact CB-CZ2 4.12Å; F36-W67 HydrophobicContact CB-CZ3 4.09Å; F36-W67 HydrophobicContact CD1-CH2 4.21Å; F36-W67 HydrophobicContact CD1-CZ2 4.14Å; F36-W67 HydrophobicContact CD2-CD2 4.2Å; F36-W67 AromaticContact CD2-CE2 3.55Å; F36-W67 HydrophobicContact CD2-CH2 4.45Å; F36-W67 AromaticContact CD2-CZ2 3.65Å; F36-W67 HydrophobicContact CD2-CZ2 3.65Å; F36-W67 AromaticContact CD2-NE1 3.58Å; F36-W67 HydrophobicContact CE2-CZ2 4.09Å; F36-W67 HydrophobicContact CG-CD2 4.14Å; F36-W67 AromaticContact CG-CE2 3.78Å; F36-W67 HydrophobicContact CG-CE3 4.41Å; F36-W67 HydrophobicContact CG-CH2 4.04Å; F36-W67 AromaticContact CG-CZ2 3.68Å; F36-W67 HydrophobicContact CG-CZ2 3.68Å; F36-W67 HydrophobicContact CG-CZ3 4.39Å; F36-V68 PolarHBondContact O-N 3.07Å; F36-V111 CarbonylContact C-O 3.23Å; F36-V111 VanDerWaalsContact CA-O 3.27Å; F36-V111 WeakPolarHBondContact CA-O 3.41Å; F36-V111 HydrophobicContact CD1-CB 3.74Å; F36-V111 HydrophobicContact CD1-CG1 3.85Å; F36-V111 HydrophobicContact CE1-CB 3.68Å; F36-V111 HydrophobicContact CE1-CG1 3.59Å; F36-V111 HydrophobicContact CE1-CG2 4.3Å; F36-F113 HydrophobicContact CD1-CB 4.38Å; F36-I137 HydrophobicContact CE1-CD1 4.45Å; F36-M293 HydrophobicContact CD1-CE 3.91Å; F36-M293 HydrophobicContact CE1-CE 3.2Å; F36-M293 HydrophobicContact CE2-CE 4.11Å; F36-M293 HydrophobicContact CZ-CE 3.33Å; F36-L297 HydrophobicContact CE1-CD1 4.23Å; F36-L297 HydrophobicContact CE1-CD2 3.93Å; F36-L297 HydrophobicContact CZ-CD1 3.69Å; F36-L297 HydrophobicContact CZ-CD2 3.82Å; F36-L297 HydrophobicContact CZ-CG 4.42Å
37L98.8Very high95.5Very high0 Ų036.4 Ų36.40%020%0.2CC..EExtended strand (participates in β ladder)trans-100.8120.5172-176.566.9000108.9V68 I70 F98 L102 V110 V111 L112 F113 L122 F125L37-V68 WeakPolarHBondContact CA-O 3.49Å; L37-V68 HydrophobicContact CD1-CB 4.17Å; L37-V68 HydrophobicContact CD1-CG1 3.92Å; L37-I70 HydrophobicContact CD1-CD1 3.73Å; L37-I70 HydrophobicContact CD1-CG1 4.04Å; L37-I70 HydrophobicContact CG-CD1 4.45Å; L37-F98 HydrophobicContact CD2-CB 4.41Å; L37-F98 HydrophobicContact CD2-CD2 4.24Å; L37-L102 HydrophobicContact CD1-CD2 4.22Å; L37-L102 HydrophobicContact CD2-CD2 4.36Å; L37-V110 HydrophobicContact CB-CB 4.01Å; L37-V110 HydrophobicContact CB-CG1 4.12Å; L37-V110 HydrophobicContact CB-CG2 4.17Å; L37-V110 HydrophobicContact CD2-CG2 4.37Å; L37-V111 PolarHBondContact N-O 3.22Å; L37-L112 HydrophobicContact CB-CD2 4.14Å; L37-L112 HydrophobicContact CD2-CD2 4.1Å; L37-F113 PolarHBondContact O-N 3.24Å; L37-L122 HydrophobicContact CD2-CD2 4.31Å; L37-L122 HydrophobicContact CG-CD2 4.39Å; L37-F125 HydrophobicContact CD2-CE1 4.34Å
38T98.8Very high95.6Very high0 Ų035.3 Ų35.30%018%0.184CC..EExtended strand (participates in β ladder)trans-111.5148.6-178.682.10000113.7Y49 W67 V68 H69 I70 F113T38-Y49 HydrophobicContact CG2-CD2 4.32Å; T38-Y49 HydrophobicContact CG2-CE2 4.43Å; T38-W67 HydrophobicContact CG2-CE3 3.52Å; T38-W67 HydrophobicContact CG2-CZ3 3.73Å; T38-V68 PolarHBondContact N-O 3.35Å; T38-H69 VanDerWaalsContact OG1-CA 3.29Å; T38-H69 WeakPolarHBondContact OG1-CA 3.37Å; T38-H69 WeakPolarHBondContact OG1-CB 3.48Å; T38-H69 PolarHBondContact OG1-ND1 3.32Å; T38-I70 PolarHBondContact O-N 3.29Å; T38-I70 VanDerWaalsContact O-N 3.08Å; T38-F113 WeakPolarHBondContact CA-O 3.02Å; T38-F113 WeakPolarHBondContact CB-O 3.12Å; T38-F113 HydrophobicContact CG2-CB 4.3Å; T38-F113 HydrophobicContact CG2-CD1 4.39Å
39C98.7Very high95.8Very high0 Ų026.4 Ų26.40%015%0.15CC..EExtended strand (participates in β ladder)trans-137.7133.5170.2-172.90000108.3Y49 F98 G118 L122C39-Y49 PolarHBondContact O-OH 3Å; C39-F98 HydrophobicContact CB-CE2 4.02Å; C39-F98 HydrophobicContact CB-CZ 4.17Å; C39-G118 WeakPolarHBondContact O-CA 3.39Å; C39-L122 HydrophobicContact CB-CD1 4.01Å; C39-L122 HydrophobicContact CB-CD2 4.14Å; C39-L122 HydrophobicContact CB-CG 3.86Å
40H98.4Very high95.7Very high0 Ų026.7 Ų26.70%015%0.15CC..  trans-83.8167.7-17364.677.1000112.7C44 N45 I70 D71 L72 G118H40-C44 HydrophobicContact CB-CB 4.05Å; H40-C44 PolarHBondContact CE1-O 2.78Å; H40-C44 PolarHBondContact ND1-O 3.34Å; H40-N45 WeakPolarHBondContact CB-O 3.21Å; H40-I70 PolarHBondContact CD2-O 3.43Å; H40-D71 IonicContact CD2-OD1 3.58Å; H40-L72 PolarHBondContact NE2-N 3.15Å; H40-G118 WeakPolarHBondContact O-CA 3.27Å; H40-G118 PolarHBondContact O-N 3.23Å; H40-G118 VanDerWaalsContact O-N 3.09Å
41D97.3Very high95.6Very high3 Ų330.2 Ų30.22%0.01617%0.166CC..  trans-86.2178.5176.4-160.610.2000112.3C44 A117 H177D41-C44 VanDerWaalsContact O-CB 3.32Å; D41-C44 WeakPolarHBondContact O-CB 3.48Å; D41-C44 PolarHBondContact O-N 3.27Å; D41-A117 WeakPolarHBondContact OD1-CB 3.44Å; D41-A117 PolarHBondContact OD1-N 3.32Å; D41-H177 IonicContact OD1-NE2 2.77Å; D41-H177 IonicContact OD2-CD2 3.7Å; D41-H177 IonicContact OD2-NE2 3.79Å
42L95.2Very high95.9Very high1 Ų123.4 Ų23.41%0.00512%0.121CC..THydrogen-bonded Turntrans-60.1134.9176-58.7-179.5000111.5C44 A117 L174 F214 I215 Y218L42-C44 PolarHBondContact O-N 3.03Å; L42-C44 PolarHBondContact O-SG 2.91Å; L42-A117 HydrophobicContact CD2-CB 3.84Å; L42-A117 HydrophobicContact CG-CB 3.89Å; L42-L174 HydrophobicContact CB-CD2 3.8Å; L42-F214 HydrophobicContact CD2-CD1 3.89Å; L42-F214 HydrophobicContact CD2-CE1 3.5Å; L42-F214 HydrophobicContact CD2-CE2 4.26Å; L42-F214 HydrophobicContact CD2-CG 4.44Å; L42-F214 HydrophobicContact CD2-CZ 3.69Å; L42-I215 HydrophobicContact CD1-CG1 4.42Å; L42-I215 HydrophobicContact CD2-CG1 4.09Å; L42-Y218 HydrophobicContact CD1-CD1 3.98Å; L42-Y218 HydrophobicContact CD1-CE1 4.23Å; L42-Y218 HydrophobicContact CD2-CD1 4.06Å; L42-Y218 HydrophobicContact CD2-CG 4.17Å; L42-Y218 HydrophobicContact CG-CD1 4.41Å
43G94.9Very high96.2Very high2 Ų218.6 Ų18.62%0.0219%0.088CC..THydrogen-bonded Turntrans72.112.5-179.900000113.9F198G43-F198 VanDerWaalsContact O-CE2 3.29Å; G43-F198 WeakPolarHBondContact O-CE2 3.16Å
44C96.9Very high96Very high6 Ų619.3 Ų19.34%0.04110%0.097CC..  trans-120.1174.9-178.9-47.10000110.4H40 D41 L42 Q48 R178H40-C44 HydrophobicContact CB-CB 4.05Å; H40-C44 PolarHBondContact CE1-O 2.78Å; H40-C44 PolarHBondContact ND1-O 3.34Å; D41-C44 VanDerWaalsContact O-CB 3.32Å; D41-C44 WeakPolarHBondContact O-CB 3.48Å; D41-C44 PolarHBondContact O-N 3.27Å; L42-C44 PolarHBondContact O-N 3.03Å; L42-C44 PolarHBondContact O-SG 2.91Å; C44-Q48 HydrophobicContact CB-CB 4.21Å; C44-R178 PolarHBondContact SG-NH1 3.4Å
45N97.2Very high95.9Very high7 Ų720.9 Ų20.94%0.03710%0.103CC..  trans-144.5-165.4164.754.333.3000108.4H40 Y47 Q48 D71 Q75 D77H40-N45 WeakPolarHBondContact CB-O 3.21Å; N45-Y47 PolarHBondContact O-N 3.02Å; N45-Y47 VanDerWaalsContact O-N 3.13Å; N45-Y47 WeakPolarHBondContact OD1-CB 3.42Å; N45-Y47 VanDerWaalsContact OD1-CD2 3.3Å; N45-Y47 WeakPolarHBondContact OD1-CD2 3.4Å; N45-Y47 PolarHBondContact OD1-N 3.34Å; N45-Q48 WeakPolarHBondContact O-CB 3.22Å; N45-Q48 PolarHBondContact O-N 2.77Å; N45-D71 WeakPolarHBondContact CB-OD1 3.43Å; N45-Q75 WeakPolarHBondContact CB-O 3.46Å; N45-Q75 PolarHBondContact ND2-O 2.97Å; N45-D77 PolarHBondContact ND2-N 2.67Å; N45-D77 PolarHBondContact ND2-OD1 3.37Å
46H96.1Very high95.7Very high4 Ų424.8 Ų24.82%0.01913%0.13CC..G310 helixtrans-56.7-27.3-177.267.8-85.1000114.3E9 F24 Q48 Y49 H69 D71E9-H46 IonicContact OE2-NE2 3.11Å; F24-H46 HydrophobicContact CD2-CB 4.44Å; F24-H46 AromaticContact CD2-CE1 3.71Å; F24-H46 AromaticContact CD2-CG 3.83Å; F24-H46 AromaticContact CD2-ND1 3.46Å; F24-H46 WeakPolarHBondContact CD2-ND1 3.37Å; F24-H46 AromaticContact CE1-CE1 3.81Å; F24-H46 AromaticContact CE2-CE1 3.46Å; F24-H46 VanDerWaalsContact CE2-CE1 3.46Å; F24-H46 WeakPolarHBondContact CE2-CE1 3.49Å; F24-H46 AromaticContact CE2-ND1 3.36Å; F24-H46 WeakPolarHBondContact CE2-ND1 3.46Å; F24-H46 AromaticContact CG-CE1 4Å; F24-H46 AromaticContact CZ-CE1 3.52Å; F24-H46 AromaticContact CZ-ND1 3.92Å; H46-Q48 PolarHBondContact O-N 3.37Å; H46-Y49 PolarHBondContact O-N 3.03Å; H46-Y49 VanDerWaalsContact O-N 3.07Å; H46-H69 HydrophobicContact CB-CB 3.46Å; H46-H69 VanDerWaalsContact CB-CB 3.46Å; H46-D71 VanDerWaalsContact CB-OD1 3.32Å; H46-D71 WeakPolarHBondContact CB-OD1 3.32Å; H46-D71 IonicContact CE1-OD2 3.64Å; H46-D71 IonicContact CG-OD1 3.8Å; H46-D71 IonicContact CG-OD2 3.3Å; H46-D71 PolarHBondContact N-OD1 3.18Å; H46-D71 VanDerWaalsContact ND1-CG 3.32Å; H46-D71 IonicContact ND1-OD1 3.35Å; H46-D71 PolarHBondContact ND1-OD1 2.76Å; H46-D71 IonicContact ND1-OD2 3.69Å; H46-D71 PolarHBondContact ND1-OD2 3.06Å
47Y95.6Very high95.6Very high47 Ų4725.8 Ų25.818%0.18414%0.135CC..G310 helixtrans-60.4-15.7174.7-66.4-60000113.3M6 N45 Y49 E50 D77M6-Y47 HydrophobicContact CG-CD1 4.3Å; M6-Y47 HydrophobicContact CG-CE1 4.39Å; N45-Y47 PolarHBondContact O-N 3.02Å; N45-Y47 VanDerWaalsContact O-N 3.13Å; N45-Y47 WeakPolarHBondContact OD1-CB 3.42Å; N45-Y47 VanDerWaalsContact OD1-CD2 3.3Å; N45-Y47 WeakPolarHBondContact OD1-CD2 3.4Å; N45-Y47 PolarHBondContact OD1-N 3.34Å; Y47-Y49 PolarHBondContact O-N 3.13Å; Y47-E50 WeakPolarHBondContact O-CB 3.46Å; Y47-E50 PolarHBondContact O-N 3.18Å; Y47-E50 VanDerWaalsContact O-N 3.09Å; Y47-D77 HydrophobicContact CE2-CB 4.41Å
48Q96Very high95.4Very high18 Ų1825.8 Ų25.88%0.08414%0.135CC..G310 helixtrans-49.9-30.6169.1175170.16.400113.5C44 N45 H46 E115C44-Q48 HydrophobicContact CB-CB 4.21Å; N45-Q48 WeakPolarHBondContact O-CB 3.22Å; N45-Q48 PolarHBondContact O-N 2.77Å; H46-Q48 PolarHBondContact O-N 3.37Å; Q48-E115 PolarHBondContact NE2-OE2 3.35Å
49Y96.1Very high95.1Very high0 Ų028.7 Ų28.70%015%0.15CC..G310 helixtrans-100.7-4.3-176-56.1-61.5000113.7T38 C39 H46 Y47 E51 F52 V53 F113 G114 E115 L282T38-Y49 HydrophobicContact CG2-CD2 4.32Å; T38-Y49 HydrophobicContact CG2-CE2 4.43Å; C39-Y49 PolarHBondContact O-OH 3Å; H46-Y49 PolarHBondContact O-N 3.03Å; H46-Y49 VanDerWaalsContact O-N 3.07Å; Y47-Y49 PolarHBondContact O-N 3.13Å; Y49-E51 PolarHBondContact O-N 2.91Å; Y49-F52 PolarHBondContact O-N 3.3Å; Y49-F52 VanDerWaalsContact O-N 3.13Å; Y49-V53 WeakPolarHBondContact O-CG1 3.4Å; Y49-V53 WeakPolarHBondContact O-CG2 3.42Å; Y49-V53 PolarHBondContact O-N 3.22Å; Y49-F113 HydrophobicContact CD1-CD1 4.15Å; Y49-F113 AromaticContact CD1-CE1 3.7Å; Y49-F113 HydrophobicContact CD1-CE1 3.7Å; Y49-F113 AromaticContact CE1-CD1 3.95Å; Y49-F113 HydrophobicContact CE1-CD1 3.95Å; Y49-F113 AromaticContact CE1-CE1 3.68Å; Y49-F113 HydrophobicContact CE1-CE1 3.68Å; Y49-G114 WeakPolarHBondContact OH-CA 3.46Å; Y49-E115 PolarHBondContact OH-N 3.44Å; Y49-L282 HydrophobicContact CD1-CD1 4.06Å; Y49-L282 HydrophobicContact CE1-CD1 3.96Å
50E92.7Very high94.8Very high63 Ų6330.5 Ų30.529%0.29416%0.162SC..Hα-helixtrans-56.4-54.4-170.7176.5169.8-143.900112.7M6 Y47 F52 V53 V54M6-E50 HydrophobicContact CG-CB 3.98Å; M6-E50 HydrophobicContact CG-CG 3.83Å; M6-E50 HydrophobicContact SD-CB 3.83Å; M6-E50 HydrophobicContact SD-CG 4.23Å; Y47-E50 WeakPolarHBondContact O-CB 3.46Å; Y47-E50 PolarHBondContact O-N 3.18Å; Y47-E50 VanDerWaalsContact O-N 3.09Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 3.02Å; E50-V53 VanDerWaalsContact O-CG2 3.31Å; E50-V53 WeakPolarHBondContact O-CG2 3.46Å; E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 3.14Å
51E92.5Very high94.7Very high149 Ų14930.5 Ų30.570%0.69616%0.162SC*.Hα-helixtrans-64.7-33.6179.6-65.4-177.5173.600112.1Y49 H55Y49-E51 PolarHBondContact O-N 2.91Å; E51-H55 PolarHBondContact O-N 3.36Å; E51-H55 VanDerWaalsContact O-N 3.13Å
52F95.4Very high94.4Very high4 Ų432.5 Ų32.52%0.01817%0.172CC..Hα-helixtrans-70.5-47.1-179.1176.4-103.1000112.2Y49 E50 V54 H55 M58 W67 F113 L282 P286 V289 V290 M293Y49-F52 PolarHBondContact O-N 3.3Å; Y49-F52 VanDerWaalsContact O-N 3.13Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 3.02Å; F52-V54 VanDerWaalsContact C-N 3.26Å; F52-V54 PolarHBondContact O-N 3.09Å; F52-H55 VanDerWaalsContact O-CB 3.28Å; F52-H55 WeakPolarHBondContact O-CB 3.34Å; F52-H55 PolarHBondContact O-N 3.45Å; F52-M58 HydrophobicContact CE1-CE 4.23Å; F52-M58 HydrophobicContact CE1-CG 4.42Å; F52-M58 HydrophobicContact CE1-SD 4.24Å; F52-M58 HydrophobicContact CZ-SD 4.21Å; F52-M58 WeakPolarHBondContact O-CB 3.3Å; F52-M58 WeakPolarHBondContact O-CG 3.48Å; F52-W67 HydrophobicContact CE1-CH2 4.26Å; F52-F113 HydrophobicContact CD1-CE1 4.24Å; F52-F113 AromaticContact CD1-CZ 3.9Å; F52-F113 HydrophobicContact CD1-CZ 3.9Å; F52-F113 HydrophobicContact CE1-CE1 4.1Å; F52-F113 AromaticContact CE1-CE2 3.86Å; F52-F113 HydrophobicContact CE1-CE2 3.86Å; F52-F113 AromaticContact CE1-CZ 3.37Å; F52-F113 HydrophobicContact CE1-CZ 3.37Å; F52-F113 HydrophobicContact CZ-CE2 4.19Å; F52-F113 AromaticContact CZ-CZ 3.87Å; F52-F113 HydrophobicContact CZ-CZ 3.87Å; F52-L282 HydrophobicContact CB-CD2 4.39Å; F52-L282 HydrophobicContact CD1-CD2 4.34Å; F52-L282 HydrophobicContact CD2-CD2 3.61Å; F52-L282 HydrophobicContact CE2-CD2 3.92Å; F52-L282 HydrophobicContact CG-CD2 3.85Å; F52-L282 HydrophobicContact CZ-CD2 4.4Å; F52-P286 HydrophobicContact CD2-CB 3.94Å; F52-P286 HydrophobicContact CE2-CB 4.38Å; F52-V289 HydrophobicContact CE2-CB 3.89Å; F52-V289 HydrophobicContact CE2-CG1 3.69Å; F52-V289 HydrophobicContact CZ-CB 4.4Å; F52-V289 HydrophobicContact CZ-CG1 3.76Å; F52-V290 HydrophobicContact CE2-CG2 3.69Å; F52-V290 HydrophobicContact CZ-CG2 3.89Å; F52-M293 HydrophobicContact CE1-SD 4.34Å; F52-M293 HydrophobicContact CZ-SD 4.19Å
53V93.1Very high94.3Very high0 Ų038.5 Ų38.50%020%0.199CC..Hα-helixtrans-67-29.2-176.1-63.70000112.4M6 Y49 E50 W67M6-V53 HydrophobicContact SD-CG2 4.23Å; Y49-V53 WeakPolarHBondContact O-CG1 3.4Å; Y49-V53 WeakPolarHBondContact O-CG2 3.42Å; Y49-V53 PolarHBondContact O-N 3.22Å; E50-V53 VanDerWaalsContact O-CG2 3.31Å; E50-V53 WeakPolarHBondContact O-CG2 3.46Å; V53-W67 HydrophobicContact CG1-CD2 3.96Å; V53-W67 HydrophobicContact CG1-CE3 3.85Å; V53-W67 HydrophobicContact CG1-CH2 4.38Å; V53-W67 HydrophobicContact CG1-CZ3 4.04Å
54V90.3Very high94.2Very high76 Ų7645 Ų4546%0.46122%0.223SC..THydrogen-bonded Turntrans-94.4-2.6177-52.90000113.9E50 F52 S56E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 3.14Å; F52-V54 VanDerWaalsContact C-N 3.26Å; F52-V54 PolarHBondContact O-N 3.09Å; V54-S56 PolarHBondContact O-N 3.2Å
55H94Very high94.1Very high52 Ų5244.8 Ų44.824%0.24122%0.222CC..SBendtrans-54137.8176.2-176.1-91.4000110.3E51 F52 K57 M58 L59E51-H55 PolarHBondContact O-N 3.36Å; E51-H55 VanDerWaalsContact O-N 3.13Å; F52-H55 VanDerWaalsContact O-CB 3.28Å; F52-H55 WeakPolarHBondContact O-CB 3.34Å; F52-H55 PolarHBondContact O-N 3.45Å; H55-K57 WeakPolarHBondContact ND1-CB 3.25Å; H55-K57 PolarHBondContact ND1-N 3.05Å; H55-K57 PolarHBondContact O-N 3.44Å; H55-M58 HydrophobicContact CB-CB 4.2Å; H55-M58 WeakPolarHBondContact O-CA 3.32Å; H55-M58 VanDerWaalsContact O-CB 3.32Å; H55-M58 WeakPolarHBondContact O-CB 3.4Å; H55-M58 PolarHBondContact O-N 2.84Å; H55-L59 PolarHBondContact O-N 3.47Å
56S94.1Very high94.1Very high89 Ų8944.5 Ų44.562%0.62222%0.221SC*.THydrogen-bonded Turntrans-51.8-39.9-171.760.40000113.4V54 M58V54-S56 PolarHBondContact O-N 3.2Å; S56-M58 VanDerWaalsContact C-N 3.34Å
57K94.8Very high94.1Very high20 Ų2044.3 Ų44.39%0.08722%0.22CC..THydrogen-bonded Turntrans-71-26.8177-152.2179.4-177.1175.80113.4H55 P60 D287 V290 D291 Q309 T311H55-K57 WeakPolarHBondContact ND1-CB 3.25Å; H55-K57 PolarHBondContact ND1-N 3.05Å; H55-K57 PolarHBondContact O-N 3.44Å; K57-P60 WeakPolarHBondContact O-CD 3.29Å; K57-D287 HydrophobicContact CD-CB 4.07Å; K57-D287 WeakPolarHBondContact CD-O 3.13Å; K57-D287 PolarHBondContact NZ-O 3.27Å; K57-V290 HydrophobicContact CB-CB 4.5Å; K57-V290 HydrophobicContact CB-CG1 4.18Å; K57-V290 HydrophobicContact CD-CB 4.28Å; K57-V290 HydrophobicContact CD-CG1 4.21Å; K57-V290 HydrophobicContact CG-CB 4.42Å; K57-V290 HydrophobicContact CG-CG1 3.91Å; K57-V290 WeakPolarHBondContact O-CG1 3.23Å; K57-D291 WeakPolarHBondContact CE-OD1 3.15Å; K57-D291 IonicContact NZ-OD1 2.78Å; K57-D291 PolarHBondContact NZ-OD1 3.5Å; K57-D291 IonicContact NZ-OD2 3.56Å; K57-D291 PolarHBondContact NZ-OD2 3.07Å; K57-Q309 HydrophobicContact CG-CB 4.4Å; K57-Q309 PolarHBondContact O-NE2 3.48Å; K57-Q309 PolarHBondContact O-OE1 2.77Å; K57-T311 PolarHBondContact NZ-OG1 3.22Å
58M94.9Very high94.2Very high0 Ų042.1 Ų42.10%021%0.211CC..THydrogen-bonded Turntrans-82.1-24.5-179.2-168.852.9-170.200112.6F52 H55 S56 P60 I61 M62 W67 V290 M293F52-M58 HydrophobicContact CE1-CE 4.23Å; F52-M58 HydrophobicContact CE1-CG 4.42Å; F52-M58 HydrophobicContact CE1-SD 4.24Å; F52-M58 HydrophobicContact CZ-SD 4.21Å; F52-M58 WeakPolarHBondContact O-CB 3.3Å; F52-M58 WeakPolarHBondContact O-CG 3.48Å; H55-M58 HydrophobicContact CB-CB 4.2Å; H55-M58 WeakPolarHBondContact O-CA 3.32Å; H55-M58 VanDerWaalsContact O-CB 3.32Å; H55-M58 WeakPolarHBondContact O-CB 3.4Å; H55-M58 PolarHBondContact O-N 2.84Å; S56-M58 VanDerWaalsContact C-N 3.34Å; M58-P60 VanDerWaalsContact C-CD 3.46Å; M58-P60 VanDerWaalsContact O-N 3.16Å; M58-I61 HydrophobicContact CE-CB 3.76Å; M58-I61 HydrophobicContact CE-CD1 4.37Å; M58-I61 HydrophobicContact CE-CG2 3.4Å; M58-I61 VanDerWaalsContact CE-CG2 3.4Å; M58-I61 WeakPolarHBondContact O-CB 3.48Å; M58-I61 PolarHBondContact O-N 3.47Å; M58-I61 HydrophobicContact SD-CB 3.89Å; M58-I61 HydrophobicContact SD-CD1 3.89Å; M58-I61 HydrophobicContact SD-CG1 4.41Å; M58-I61 HydrophobicContact SD-CG2 4.16Å; M58-M62 PolarHBondContact O-N 3.04Å; M58-W67 HydrophobicContact CE-CH2 3.93Å; M58-W67 HydrophobicContact CE-CZ2 3.24Å; M58-V290 HydrophobicContact CB-CG2 3.89Å; M58-V290 HydrophobicContact CG-CG2 4.32Å; M58-V290 HydrophobicContact SD-CG1 4.32Å; M58-V290 HydrophobicContact SD-CG2 3.83Å; M58-M293 HydrophobicContact CE-CE 3.62Å; M58-M293 HydrophobicContact CE-SD 3.72Å; M58-M293 HydrophobicContact SD-SD 4.08Å
59L92.7Very high94.4Very high61 Ų6141.2 Ų41.232%0.31921%0.207SC..Hα-helixtrans-48.9-43.4-176.3-65.8177.4000114.8H55 I61 M62 Q63H55-L59 PolarHBondContact O-N 3.47Å; L59-I61 VanDerWaalsContact C-N 3.3Å; L59-I61 PolarHBondContact O-N 2.92Å; L59-M62 HydrophobicContact CD2-CE 3.71Å; L59-M62 HydrophobicContact CD2-SD 4.21Å; L59-M62 PolarHBondContact O-N 3.46Å; L59-Q63 WeakPolarHBondContact O-CB 3.5Å; L59-Q63 VanDerWaalsContact O-CG 3.22Å; L59-Q63 WeakPolarHBondContact O-CG 3.14Å; L59-Q63 PolarHBondContact O-N 3.49Å
60P93.4Very high94.5Very high39 Ų3941.2 Ų41.225%0.25321%0.207SC..Hα-helixtrans-64.4-31.7178.9-24.937.9000114.1K57 M58 L306K57-P60 WeakPolarHBondContact O-CD 3.29Å; M58-P60 VanDerWaalsContact C-CD 3.46Å; M58-P60 VanDerWaalsContact O-N 3.16Å; P60-L306 HydrophobicContact CB-CD2 3.95Å
61I95Very high94.8Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-74-53173.4-65.6173.5000108.8F36 M58 L59 Q63 R64 S65 V290 M293 Q294 L297 L303 L306F36-I61 HydrophobicContact CE2-CG2 4.18Å; F36-I61 HydrophobicContact CZ-CG2 4.36Å; M58-I61 HydrophobicContact CE-CB 3.76Å; M58-I61 HydrophobicContact CE-CD1 4.37Å; M58-I61 HydrophobicContact CE-CG2 3.4Å; M58-I61 VanDerWaalsContact CE-CG2 3.4Å; M58-I61 WeakPolarHBondContact O-CB 3.48Å; M58-I61 PolarHBondContact O-N 3.47Å; M58-I61 HydrophobicContact SD-CB 3.89Å; M58-I61 HydrophobicContact SD-CD1 3.89Å; M58-I61 HydrophobicContact SD-CG1 4.41Å; M58-I61 HydrophobicContact SD-CG2 4.16Å; L59-I61 VanDerWaalsContact C-N 3.3Å; L59-I61 PolarHBondContact O-N 2.92Å; I61-Q63 VanDerWaalsContact C-N 3.33Å; I61-Q63 PolarHBondContact O-N 3.5Å; I61-R64 CarbonylContact O-C 3.58Å; I61-R64 PolarHBondContact O-N 3.43Å; I61-S65 WeakPolarHBondContact O-CB 3.47Å; I61-S65 PolarHBondContact O-N 2.99Å; I61-S65 VanDerWaalsContact O-N 3.13Å; I61-S65 PolarHBondContact O-OG 3.42Å; I61-V290 HydrophobicContact CD1-CG1 4.27Å; I61-M293 HydrophobicContact CD1-CG 4.4Å; I61-M293 HydrophobicContact CG2-CE 4.22Å; I61-Q294 HydrophobicContact CD1-CB 4.21Å; I61-L297 HydrophobicContact CD1-CD1 4.43Å; I61-L297 HydrophobicContact CG2-CD1 4.43Å; I61-L303 HydrophobicContact CB-CD1 4.24Å; I61-L303 HydrophobicContact CG1-CD1 4.08Å; I61-L303 HydrophobicContact CG2-CD1 3.69Å; I61-L306 HydrophobicContact CG1-CD1 3.69Å
62M92.4Very high95.1Very high45 Ų4531.2 Ų31.222%0.22216%0.16CC..Hα-helixtrans-50.5-50.8-179.2-175.4-153.76600111.5M58 L59 R64 S65M58-M62 PolarHBondContact O-N 3.04Å; L59-M62 HydrophobicContact CD2-CE 3.71Å; L59-M62 HydrophobicContact CD2-SD 4.21Å; L59-M62 PolarHBondContact O-N 3.46Å; M62-R64 PolarHBondContact O-N 2.87Å; M62-R64 VanDerWaalsContact O-N 3.09Å; M62-S65 WeakPolarHBondContact CA-OG 3.22Å; M62-S65 PolarHBondContact O-N 3.13Å; M62-S65 VanDerWaalsContact O-N 3.08Å; M62-S65 VanDerWaalsContact O-O 3.09Å; M62-S65 PolarHBondContact O-OG 2.88Å
63Q91.5Very high95.2Very high126 Ų12631.4 Ų31.459%0.58916%0.162SC*.THydrogen-bonded Turntrans-58.2-27.5-179.8-73.1171.7-8.600114.1K33 L59 I61K33-Q63 PolarHBondContact NZ-O 2.93Å; L59-Q63 WeakPolarHBondContact O-CB 3.5Å; L59-Q63 VanDerWaalsContact O-CG 3.22Å; L59-Q63 WeakPolarHBondContact O-CG 3.14Å; L59-Q63 PolarHBondContact O-N 3.49Å; I61-Q63 VanDerWaalsContact C-N 3.33Å; I61-Q63 PolarHBondContact O-N 3.5Å
64R93.7Very high95.4Very high138 Ų13831.4 Ų31.452%0.52116%0.162SC..THydrogen-bonded Turntrans-101.31.6-177.4-64.7-176.7-173-87.7-3.2113.6K33 P34 I61 M62 L303K33-R64 WeakPolarHBondContact CG-O 3.28Å; P34-R64 WeakPolarHBondContact CD-O 3.25Å; I61-R64 CarbonylContact O-C 3.58Å; I61-R64 PolarHBondContact O-N 3.43Å; M62-R64 PolarHBondContact O-N 2.87Å; M62-R64 VanDerWaalsContact O-N 3.09Å; R64-L303 HydrophobicContact CB-CD2 3.76Å
65S95.5Very high95.7Very high3 Ų327.8 Ų27.82%0.02114%0.14CC..SBendtrans-125.5174.7-178.364.80000111.4P34 F36 I61 M62 W67P34-S65 WeakPolarHBondContact O-CA 3.37Å; P34-S65 WeakPolarHBondContact O-CB 3.35Å; F36-S65 VanDerWaalsContact CE2-CB 3.47Å; I61-S65 WeakPolarHBondContact O-CB 3.47Å; I61-S65 PolarHBondContact O-N 2.99Å; I61-S65 VanDerWaalsContact O-N 3.13Å; I61-S65 PolarHBondContact O-OG 3.42Å; M62-S65 WeakPolarHBondContact CA-OG 3.22Å; M62-S65 PolarHBondContact O-N 3.13Å; M62-S65 VanDerWaalsContact O-N 3.08Å; M62-S65 VanDerWaalsContact O-O 3.09Å; M62-S65 PolarHBondContact O-OG 2.88Å; S65-W67 PolarHBondContact OG-NE1 3.05Å
66T95.9Very high95.8Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-126.9136.7168.6-58.80000107.8V25 R28 I29 P34 V35 F36V25-T66 HydrophobicContact CG1-CG2 3.88Å; R28-T66 VanDerWaalsContact C-OG1 3.25Å; R28-T66 PolarHBondContact O-OG1 3.36Å; I29-T66 HydrophobicContact CG1-CG2 3.93Å; P34-T66 PolarHBondContact O-N 3.09Å; V35-T66 CarbonylContact C-O 3.51Å; V35-T66 VanDerWaalsContact CA-O 3.29Å; V35-T66 WeakPolarHBondContact CA-O 3.45Å; F36-T66 PolarHBondContact N-O 3.18Å
67W97.2Very high95.8Very high1 Ų123.5 Ų23.50%0.00411%0.113CC..EExtended strand (participates in β ladder)trans-109132179.2-68.466.8000109.2V25 Q26 F36 T38 F52 V53 M58 S65 H69 F113 M293V25-W67 CarbonylContact C-O 3.59Å; V25-W67 WeakPolarHBondContact CA-O 3.33Å; Q26-W67 HydrophobicContact CB-CB 4.22Å; Q26-W67 PolarHBondContact N-O 3.36Å; Q26-W67 PolarHBondContact O-N 3.35Å; F36-W67 HydrophobicContact CB-CD2 3.71Å; F36-W67 HydrophobicContact CB-CE3 3.79Å; F36-W67 HydrophobicContact CB-CG 4.16Å; F36-W67 HydrophobicContact CB-CH2 4.24Å; F36-W67 HydrophobicContact CB-CZ2 4.12Å; F36-W67 HydrophobicContact CB-CZ3 4.09Å; F36-W67 HydrophobicContact CD1-CH2 4.21Å; F36-W67 HydrophobicContact CD1-CZ2 4.14Å; F36-W67 HydrophobicContact CD2-CD2 4.2Å; F36-W67 AromaticContact CD2-CE2 3.55Å; F36-W67 HydrophobicContact CD2-CH2 4.45Å; F36-W67 AromaticContact CD2-CZ2 3.65Å; F36-W67 HydrophobicContact CD2-CZ2 3.65Å; F36-W67 AromaticContact CD2-NE1 3.58Å; F36-W67 HydrophobicContact CE2-CZ2 4.09Å; F36-W67 HydrophobicContact CG-CD2 4.14Å; F36-W67 AromaticContact CG-CE2 3.78Å; F36-W67 HydrophobicContact CG-CE3 4.41Å; F36-W67 HydrophobicContact CG-CH2 4.04Å; F36-W67 AromaticContact CG-CZ2 3.68Å; F36-W67 HydrophobicContact CG-CZ2 3.68Å; F36-W67 HydrophobicContact CG-CZ3 4.39Å; T38-W67 HydrophobicContact CG2-CE3 3.52Å; T38-W67 HydrophobicContact CG2-CZ3 3.73Å; F52-W67 HydrophobicContact CE1-CH2 4.26Å; V53-W67 HydrophobicContact CG1-CD2 3.96Å; V53-W67 HydrophobicContact CG1-CE3 3.85Å; V53-W67 HydrophobicContact CG1-CH2 4.38Å; V53-W67 HydrophobicContact CG1-CZ3 4.04Å; M58-W67 HydrophobicContact CE-CH2 3.93Å; M58-W67 HydrophobicContact CE-CZ2 3.24Å; S65-W67 PolarHBondContact OG-NE1 3.05Å; W67-H69 WeakPolarHBondContact CB-NE2 3.48Å; W67-H69 AromaticContact CE3-CE1 3.76Å; W67-F113 HydrophobicContact CH2-CB 4.49Å; W67-F113 HydrophobicContact CH2-CD1 4.22Å; W67-F113 HydrophobicContact CH2-CD2 4.16Å; W67-F113 HydrophobicContact CH2-CE2 4.45Å; W67-F113 HydrophobicContact CH2-CG 4.04Å; W67-F113 HydrophobicContact CZ3-CB 4.22Å; W67-F113 AromaticContact CZ3-CD1 3.81Å; W67-F113 HydrophobicContact CZ3-CD1 3.81Å; W67-F113 HydrophobicContact CZ3-CE1 4.29Å; W67-F113 AromaticContact CZ3-CG 3.93Å; W67-F113 HydrophobicContact CZ3-CG 3.93Å; W67-M293 HydrophobicContact CH2-CE 3.91Å; W67-M293 HydrophobicContact CZ2-CE 3.8Å
68V98.2Very high95.7Very high0 Ų025.6 Ų25.60%014%0.14CC..EExtended strand (participates in β ladder)trans-120.4104.7178.5178.90000106.3V23 F24 V25 V35 F36 L37 T38 L105 I107V23-V68 HydrophobicContact CG1-CG1 3.58Å; F24-V68 WeakPolarHBondContact O-CA 3.47Å; V25-V68 HydrophobicContact CG2-CG2 4.33Å; V35-V68 HydrophobicContact CG1-CB 4.4Å; V35-V68 HydrophobicContact CG1-CG2 3.6Å; F36-V68 PolarHBondContact O-N 3.07Å; L37-V68 WeakPolarHBondContact CA-O 3.49Å; L37-V68 HydrophobicContact CD1-CB 4.17Å; L37-V68 HydrophobicContact CD1-CG1 3.92Å; T38-V68 PolarHBondContact N-O 3.35Å; V68-L105 HydrophobicContact CG1-CD1 3.92Å; V68-I107 HydrophobicContact CG2-CD1 3.86Å
69H98.4Very high95.7Very high0 Ų027.8 Ų27.80%015%0.15CC..EExtended strand (participates in β ladder)trans-97.2127.6-177.7-49.3-82.5000110.2M6 V23 F24 T38 H46 W67M6-H69 WeakPolarHBondContact CE-CD2 3.39Å; M6-H69 WeakPolarHBondContact CE-NE2 3.42Å; V23-H69 CarbonylContact C-O 3.53Å; V23-H69 WeakPolarHBondContact CA-O 3.34Å; F24-H69 HydrophobicContact CB-CB 4.33Å; F24-H69 PolarHBondContact N-O 2.82Å; F24-H69 PolarHBondContact O-N 3.29Å; T38-H69 VanDerWaalsContact OG1-CA 3.29Å; T38-H69 WeakPolarHBondContact OG1-CA 3.37Å; T38-H69 WeakPolarHBondContact OG1-CB 3.48Å; T38-H69 PolarHBondContact OG1-ND1 3.32Å; H46-H69 HydrophobicContact CB-CB 3.46Å; H46-H69 VanDerWaalsContact CB-CB 3.46Å; W67-H69 WeakPolarHBondContact CB-NE2 3.48Å; W67-H69 AromaticContact CE3-CE1 3.76Å
70I98.7Very high95.8Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-102.1122.9174.8-62.6-178.7000109.2L21 V23 L37 T38 H40 F98 V101L21-I70 HydrophobicContact CB-CG2 4.45Å; L21-I70 HydrophobicContact CD1-CG2 4Å; L21-I70 HydrophobicContact CD2-CG2 3.99Å; L21-I70 HydrophobicContact CG-CG2 4.38Å; V23-I70 HydrophobicContact CG2-CG1 4.41Å; L37-I70 HydrophobicContact CD1-CD1 3.73Å; L37-I70 HydrophobicContact CD1-CG1 4.04Å; L37-I70 HydrophobicContact CG-CD1 4.45Å; T38-I70 PolarHBondContact O-N 3.29Å; T38-I70 VanDerWaalsContact O-N 3.08Å; H40-I70 PolarHBondContact CD2-O 3.43Å; I70-F98 HydrophobicContact CB-CE1 4.41Å; I70-F98 HydrophobicContact CB-CZ 4.47Å; I70-F98 HydrophobicContact CD1-CB 4.22Å; I70-F98 HydrophobicContact CD1-CD1 3.42Å; I70-F98 VanDerWaalsContact CD1-CD1 3.42Å; I70-F98 HydrophobicContact CD1-CD2 3.98Å; I70-F98 HydrophobicContact CD1-CE1 3.67Å; I70-F98 HydrophobicContact CD1-CE2 4.17Å; I70-F98 HydrophobicContact CD1-CG 3.6Å; I70-F98 HydrophobicContact CD1-CZ 4.03Å; I70-F98 HydrophobicContact CG2-CD1 4.41Å; I70-F98 HydrophobicContact CG2-CE1 3.73Å; I70-F98 HydrophobicContact CG2-CZ 4.13Å; I70-V101 HydrophobicContact CD1-CG1 4.43Å
71D98.5Very high95.9Very high2 Ų235.8 Ų35.81%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-89.8124.1161.6-79.3-0.5000109.4N22 F24 H40 N45 H46N22-D71 HydrophobicContact CB-CB 3.91Å; N22-D71 PolarHBondContact O-N 3.41Å; F24-D71 HydrophobicContact CE2-CB 4.28Å; F24-D71 WeakPolarHBondContact CE2-OD2 3.46Å; H40-D71 IonicContact CD2-OD1 3.58Å; N45-D71 WeakPolarHBondContact CB-OD1 3.43Å; H46-D71 VanDerWaalsContact CB-OD1 3.32Å; H46-D71 WeakPolarHBondContact CB-OD1 3.32Å; H46-D71 IonicContact CE1-OD2 3.64Å; H46-D71 IonicContact CG-OD1 3.8Å; H46-D71 IonicContact CG-OD2 3.3Å; H46-D71 PolarHBondContact N-OD1 3.18Å; H46-D71 VanDerWaalsContact ND1-CG 3.32Å; H46-D71 IonicContact ND1-OD1 3.35Å; H46-D71 PolarHBondContact ND1-OD1 2.76Å; H46-D71 IonicContact ND1-OD2 3.69Å; H46-D71 PolarHBondContact ND1-OD2 3.06Å
72L98.6Very high95.9Very high0 Ų037.2 Ų37.20%019%0.19CC..PPolyproline II helixtrans-69.3158.3176.1-64.8175.9000110.4H40 G74 Q75 F88 L94 F98 I121 F214H40-L72 PolarHBondContact NE2-N 3.15Å; L72-G74 PolarHBondContact O-N 2.93Å; L72-Q75 HydrophobicContact CB-CG 3.83Å; L72-Q75 WeakPolarHBondContact O-CB 3.36Å; L72-Q75 WeakPolarHBondContact O-CG 3.27Å; L72-Q75 PolarHBondContact O-N 3.34Å; L72-F88 HydrophobicContact CB-CE2 4.5Å; L72-F88 HydrophobicContact CB-CZ 4.18Å; L72-L94 HydrophobicContact CD2-CD1 3.94Å; L72-L94 HydrophobicContact CD2-CD2 4.1Å; L72-F98 HydrophobicContact CD2-CE1 4.07Å; L72-F98 HydrophobicContact CD2-CZ 4.03Å; L72-I121 HydrophobicContact CD1-CD1 3.79Å; L72-F214 HydrophobicContact CD1-CD1 4.39Å; L72-F214 HydrophobicContact CD1-CD2 4.16Å; L72-F214 HydrophobicContact CD1-CE1 3.75Å; L72-F214 HydrophobicContact CD1-CE2 3.51Å; L72-F214 HydrophobicContact CD1-CZ 3.28Å
73P98.2Very high96.1Very high7 Ų738.6 Ų38.65%0.04520%0.203CC..THydrogen-bonded Turntrans-53.2123.8-172.5-28.334.9000113.7C19 L21 Q75 L82 Y86 F88C19-P73 HydrophobicContact CB-CG 3.89Å; L21-P73 HydrophobicContact CD2-CG 4.19Å; P73-Q75 VanDerWaalsContact C-N 3.28Å; P73-Q75 PolarHBondContact O-N 3.36Å; P73-Q75 PolarHBondContact O-NE2 3.01Å; P73-L82 HydrophobicContact CB-CD1 4.49Å; P73-Y86 HydrophobicContact CB-CE1 4.38Å; P73-Y86 WeakPolarHBondContact CB-OH 3.48Å; P73-F88 HydrophobicContact CB-CD2 4.22Å; P73-F88 HydrophobicContact CB-CE2 4Å; P73-F88 HydrophobicContact CG-CE2 4.11Å
74G97.1Very high96.1Very high1 Ų137.1 Ų37.11%0.0121%0.212CC..THydrogen-bonded Turntrans74.310.8176.900000115.2L72 E79 N210L72-G74 PolarHBondContact O-N 2.93Å; G74-E79 WeakPolarHBondContact CA-OE2 3.41Å; G74-E79 PolarHBondContact N-OE2 2.95Å; G74-N210 WeakPolarHBondContact CA-ND2 3.46Å; G74-N210 WeakPolarHBondContact O-CB 3.45Å; G74-N210 PolarHBondContact O-ND2 2.75Å; G74-N210 VanDerWaalsContact O-ND2 3.07Å
75Q97.3Very high96.1Very high0 Ų037.2 Ų37.20%022%0.223CC..  trans-98.2-10.9-175.2-52.8-52.1-68.500114N45 L72 P73 I206 N210 F214N45-Q75 WeakPolarHBondContact CB-O 3.46Å; N45-Q75 PolarHBondContact ND2-O 2.97Å; L72-Q75 HydrophobicContact CB-CG 3.83Å; L72-Q75 WeakPolarHBondContact O-CB 3.36Å; L72-Q75 WeakPolarHBondContact O-CG 3.27Å; L72-Q75 PolarHBondContact O-N 3.34Å; P73-Q75 VanDerWaalsContact C-N 3.28Å; P73-Q75 PolarHBondContact O-N 3.36Å; P73-Q75 PolarHBondContact O-NE2 3.01Å; Q75-I206 WeakPolarHBondContact O-CD1 3.32Å; Q75-N210 PolarHBondContact NE2-O 3.24Å; Q75-F214 HydrophobicContact CG-CD1 4.2Å
76G95.7Very high96.1Very high4 Ų440 Ų404%0.04123%0.233CC..SBendtrans-64.3156.7175.200000113.3G78 E79G76-G78 PolarHBondContact O-N 2.92Å; G76-E79 WeakPolarHBondContact CA-OE1 3.47Å; G76-E79 PolarHBondContact N-OE1 3.13Å; G76-E79 PolarHBondContact O-N 2.96Å
77D94.3Very high96Very high46 Ų4645.9 Ų45.925%0.24627%0.269CS..THydrogen-bonded Turntrans-61.6123.7177.7-89.921.1000111.1N45 Y47 E79 S205N45-D77 PolarHBondContact ND2-N 2.67Å; N45-D77 PolarHBondContact ND2-OD1 3.37Å; Y47-D77 HydrophobicContact CE2-CB 4.41Å; D77-E79 PolarHBondContact O-N 3.28Å; D77-S205 VanDerWaalsContact CG-CB 3.43Å; D77-S205 WeakPolarHBondContact OD1-CB 3.4Å; D77-S205 PolarHBondContact OD2-OG 3.47Å
78G93.2Very high96Very high64 Ų6446.4 Ų46.466%0.6627%0.271SS*.THydrogen-bonded Turntrans70.711.8177.900000114.6G76 S205G76-G78 PolarHBondContact O-N 2.92Å; G78-S205 PolarHBondContact N-O 2.84Å
79E94.7Very high96Very high46 Ų4646.7 Ų46.722%0.21527%0.273CS..PPolyproline II helixtrans-60.1141.4176.2-81-165.3-13600111.9N22 G74 G76 D77N22-E79 PolarHBondContact ND2-OE1 3.08Å; G74-E79 WeakPolarHBondContact CA-OE2 3.41Å; G74-E79 PolarHBondContact N-OE2 2.95Å; G76-E79 WeakPolarHBondContact CA-OE1 3.47Å; G76-E79 PolarHBondContact N-OE1 3.13Å; G76-E79 PolarHBondContact O-N 2.96Å; D77-E79 PolarHBondContact O-N 3.28Å
80E94.9Very high95.9Very high174 Ų17450 Ų5081%0.81329%0.294SS*.PPolyproline II helixtrans-61154.4177.3-65.7-172.4169.300111.6L82 N210E80-L82 PolarHBondContact O-N 3.09Å; E80-N210 PolarHBondContact O-ND2 2.64Å
81E95Very high95.9Very high95 Ų9550.1 Ų50.144%0.44430%0.295SS..PPolyproline II helixtrans-62.6122.3173.8-176.4176.1151.400109.9N207 K209E81-N207 VanDerWaalsContact CA-ND2 3.32Å; E81-N207 WeakPolarHBondContact CA-ND2 3.4Å; E81-N207 PolarHBondContact N-ND2 3.01Å; E81-K209 HydrophobicContact CG-CB 4.4Å; E81-K209 HydrophobicContact CG-CD 4.02Å; E81-K209 WeakPolarHBondContact OE1-CD 3.44Å; E81-K209 WeakPolarHBondContact OE1-CE 3.45Å; E81-K209 IonicContact OE1-NZ 3.63Å; E81-K209 PolarHBondContact OE1-NZ 3.34Å; E81-K209 WeakPolarHBondContact OE2-CD 3.3Å; E81-K209 WeakPolarHBondContact OE2-CE 3.41Å; E81-K209 IonicContact OE2-NZ 3.21Å; E81-K209 PolarHBondContact OE2-NZ 3.07Å
82L95.6Very high95.7Very high29 Ų2954.9 Ų54.915%0.15232%0.32CS..PPolyproline II helixtrans-59.3146.7173.5-70167.8000109.7P73 E80 A84 Y86 N210 K213P73-L82 HydrophobicContact CB-CD1 4.49Å; E80-L82 PolarHBondContact O-N 3.09Å; L82-A84 PolarHBondContact O-N 3.09Å; L82-Y86 HydrophobicContact CB-CD1 4.22Å; L82-Y86 HydrophobicContact CB-CG 4.23Å; L82-Y86 HydrophobicContact CD1-CD1 3.78Å; L82-Y86 HydrophobicContact CD1-CE1 3.79Å; L82-Y86 HydrophobicContact CD1-CG 4.49Å; L82-Y86 HydrophobicContact CD2-CD1 4.46Å; L82-Y86 HydrophobicContact CD2-CD2 4.49Å; L82-Y86 HydrophobicContact CD2-CE1 4.48Å; L82-Y86 HydrophobicContact CD2-CG 4.47Å; L82-Y86 HydrophobicContact CG-CD1 4.4Å; L82-N210 WeakPolarHBondContact CB-OD1 3.36Å; L82-N210 HydrophobicContact CD1-CB 4.2Å; L82-N210 WeakPolarHBondContact CG-OD1 3.36Å; L82-N210 PolarHBondContact N-OD1 3.3Å; L82-K213 HydrophobicContact CB-CD 4.42Å; L82-K213 HydrophobicContact CD1-CD 4.24Å
83P95.5Very high95.7Very high75 Ų7559.4 Ų59.449%0.48734%0.337SS..PPolyproline II helixtrans-48.6144.1179.4-28.734.2000113N85 Y86 K213P83-N85 VanDerWaalsContact CB-OD1 3.28Å; P83-N85 WeakPolarHBondContact CB-OD1 3.41Å; P83-N85 PolarHBondContact O-N 3.08Å; P83-N85 VanDerWaalsContact O-N 3.13Å; P83-Y86 WeakPolarHBondContact O-CB 3.43Å; P83-Y86 PolarHBondContact O-N 2.95Å; P83-K213 PolarHBondContact O-NZ 3.25Å
84A90.9Very high95.7Very high94 Ų9459 Ų5978%0.77734%0.335SS*.THydrogen-bonded Turntrans-55.2-38.2-177.500000112.2L82 K213L82-A84 PolarHBondContact O-N 3.09Å; A84-K213 PolarHBondContact O-NZ 3Å
85N93.7Very high95.8Very high140 Ų14059.1 Ų59.175%0.74934%0.336SS*.THydrogen-bonded Turntrans-82.7-2176.767.3-30.3000114.6P83 V87P83-N85 VanDerWaalsContact CB-OD1 3.28Å; P83-N85 WeakPolarHBondContact CB-OD1 3.41Å; P83-N85 PolarHBondContact O-N 3.08Å; P83-N85 VanDerWaalsContact O-N 3.13Å; N85-V87 PolarHBondContact O-N 3.47Å
86Y95.8Very high95.9Very high62 Ų6260.1 Ų60.124%0.24334%0.341CS..  trans-64.7126.3176.1-177.2-89.2000110.6P73 L82 P83 F88 K213P73-Y86 HydrophobicContact CB-CE1 4.38Å; P73-Y86 WeakPolarHBondContact CB-OH 3.48Å; L82-Y86 HydrophobicContact CB-CD1 4.22Å; L82-Y86 HydrophobicContact CB-CG 4.23Å; L82-Y86 HydrophobicContact CD1-CD1 3.78Å; L82-Y86 HydrophobicContact CD1-CE1 3.79Å; L82-Y86 HydrophobicContact CD1-CG 4.49Å; L82-Y86 HydrophobicContact CD2-CD1 4.46Å; L82-Y86 HydrophobicContact CD2-CD2 4.49Å; L82-Y86 HydrophobicContact CD2-CE1 4.48Å; L82-Y86 HydrophobicContact CD2-CG 4.47Å; L82-Y86 HydrophobicContact CG-CD1 4.4Å; P83-Y86 WeakPolarHBondContact O-CB 3.43Å; P83-Y86 PolarHBondContact O-N 2.95Å; Y86-F88 HydrophobicContact CE1-CB 4.28Å; Y86-K213 HydrophobicContact CD1-CD 4.2Å; Y86-K213 PolarHBondContact O-NZ 3.44Å
87V94.8Very high96Very high123 Ų12360 Ų6075%0.74534%0.339SS*.  trans-100.5114.7175.4-178.70000108.2N85N85-V87 PolarHBondContact O-N 3.47Å
88F97.4Very high96.2Very high12 Ų1257.8 Ų57.85%0.05333%0.327CS..PPolyproline II helixtrans-64.6135.8175.9-171.6-79000110L72 P73 Y86 I91 L94 K213 F214L72-F88 HydrophobicContact CB-CE2 4.5Å; L72-F88 HydrophobicContact CB-CZ 4.18Å; P73-F88 HydrophobicContact CB-CD2 4.22Å; P73-F88 HydrophobicContact CB-CE2 4Å; P73-F88 HydrophobicContact CG-CE2 4.11Å; Y86-F88 HydrophobicContact CE1-CB 4.28Å; F88-I91 HydrophobicContact CE1-CD1 4.5Å; F88-L94 HydrophobicContact CE1-CD1 4.41Å; F88-K213 HydrophobicContact CB-CB 3.79Å; F88-K213 HydrophobicContact CD2-CB 4.43Å; F88-K213 HydrophobicContact CG-CB 4.42Å; F88-F214 HydrophobicContact CD2-CB 4.22Å; F88-F214 HydrophobicContact CE1-CB 4.38Å; F88-F214 AromaticContact CE1-CD2 3.64Å; F88-F214 HydrophobicContact CE1-CD2 3.64Å; F88-F214 HydrophobicContact CE1-CE2 4.42Å; F88-F214 HydrophobicContact CE1-CG 4.38Å; F88-F214 HydrophobicContact CE2-CB 3.76Å; F88-F214 HydrophobicContact CE2-CD2 4.25Å; F88-F214 HydrophobicContact CE2-CG 4.22Å; F88-F214 HydrophobicContact CZ-CB 3.86Å; F88-F214 AromaticContact CZ-CD2 3.44Å; F88-F214 HydrophobicContact CZ-CD2 3.44Å; F88-F214 VanDerWaalsContact CZ-CD2 3.44Å; F88-F214 HydrophobicContact CZ-CE2 4.26Å; F88-F214 AromaticContact CZ-CG 3.86Å; F88-F214 HydrophobicContact CZ-CG 3.86Å
89P97.8Very high96.5Very high6 Ų658.2 Ų58.24%0.03931%0.309CS..PPolyproline II helixtrans-54.5137.8-176.4-27.834.5000112.7V18 C19 I91 L94 S217V18-P89 HydrophobicContact CG1-CB 3.59Å; V18-P89 HydrophobicContact CG1-CG 3.77Å; C19-P89 HydrophobicContact CB-CG 3.65Å; P89-I91 PolarHBondContact O-N 3.21Å; P89-L94 HydrophobicContact CB-CD2 3.94Å; P89-L94 HydrophobicContact CB-CG 4.47Å; P89-L94 HydrophobicContact CG-CD2 4.22Å; P89-S217 PolarHBondContact O-OG 3.16Å
90P97.3Very high96.7Very high69 Ų6957.6 Ų57.645%0.44831%0.307SS..PPolyproline II helixtrans-53.1138166-25.435.1000110.3N92 R93P90-N92 VanDerWaalsContact CB-OD1 3.24Å; P90-N92 WeakPolarHBondContact CB-OD1 3.22Å; P90-N92 PolarHBondContact O-N 3.1Å; P90-R93 HydrophobicContact CB-CG 4.31Å; P90-R93 HydrophobicContact CG-CG 4.45Å; P90-R93 WeakPolarHBondContact O-CB 3.2Å; P90-R93 PolarHBondContact O-N 3.41Å
91I96.9Very high96.9Very high3 Ų349.3 Ų49.32%0.01527%0.269CS..THydrogen-bonded Turntrans-53.1-33-175.3-63.7-52.4000113.6F88 P89 R93 L94 P95 I121 F214 S217 Y218 R221F88-I91 HydrophobicContact CE1-CD1 4.5Å; P89-I91 PolarHBondContact O-N 3.21Å; I91-R93 PolarHBondContact O-N 3.47Å; I91-L94 HydrophobicContact CD1-CD1 3.93Å; I91-L94 PolarHBondContact O-N 3.45Å; I91-P95 WeakPolarHBondContact O-CD 3.3Å; I91-I121 HydrophobicContact CD1-CD1 4.48Å; I91-I121 HydrophobicContact CG2-CG1 3.88Å; I91-F214 HydrophobicContact CD1-CD2 4.43Å; I91-F214 HydrophobicContact CD1-CE2 4.07Å; I91-S217 PolarHBondContact N-OG 3.4Å; I91-Y218 HydrophobicContact CD1-CD2 4.16Å; I91-Y218 HydrophobicContact CG1-CD2 4.22Å; I91-R221 HydrophobicContact CB-CB 4.06Å; I91-R221 HydrophobicContact CG1-CB 4.1Å; I91-R221 HydrophobicContact CG2-CB 4.28Å
92N95.8Very high97Very high102 Ų10244.9 Ų44.955%0.54525%0.248SC..THydrogen-bonded Turntrans-74.4-7.9178.264.9-53000114.4P90P90-N92 VanDerWaalsContact CB-OD1 3.24Å; P90-N92 WeakPolarHBondContact CB-OD1 3.22Å; P90-N92 PolarHBondContact O-N 3.1Å
93R97.9Very high97.2Very high95 Ų9546.8 Ų46.836%0.35827%0.268SS..THydrogen-bonded Turntrans-95.3-21.8173.7-65.3-69.8-71.8168.2-6.9112.9E17 V18 P90 I91 P95 D96E17-R93 IonicContact OE1-NH2 3.83Å; E17-R93 PolarHBondContact OE1-NH2 2.8Å; V18-R93 HydrophobicContact CG1-CB 3.85Å; V18-R93 HydrophobicContact CG2-CB 4.31Å; P90-R93 HydrophobicContact CB-CG 4.31Å; P90-R93 HydrophobicContact CG-CG 4.45Å; P90-R93 WeakPolarHBondContact O-CB 3.2Å; P90-R93 PolarHBondContact O-N 3.41Å; I91-R93 PolarHBondContact O-N 3.47Å; R93-P95 VanDerWaalsContact C-CD 3.43Å; R93-P95 VanDerWaalsContact C-N 3.29Å; R93-D96 IonicContact CZ-OD2 2.72Å; R93-D96 VanDerWaalsContact CZ-OD2 3.3Å; R93-D96 IonicContact NE-OD2 3.34Å; R93-D96 IonicContact NH1-OD2 3.35Å; R93-D96 PolarHBondContact NH1-OD2 3.45Å; R93-D96 WeakPolarHBondContact O-CB 3.47Å; R93-D96 PolarHBondContact O-N 2.47Å
94L98.6Very high97.3Very high0 Ų047.8 Ų47.80%027%0.269CS..Hα-helixtrans-55.8-35.2176.8-66.3175.2000113.8L72 F88 P89 I91 D96 A97 F98 I121L72-L94 HydrophobicContact CD2-CD1 3.94Å; L72-L94 HydrophobicContact CD2-CD2 4.1Å; F88-L94 HydrophobicContact CE1-CD1 4.41Å; P89-L94 HydrophobicContact CB-CD2 3.94Å; P89-L94 HydrophobicContact CB-CG 4.47Å; P89-L94 HydrophobicContact CG-CD2 4.22Å; I91-L94 HydrophobicContact CD1-CD1 3.93Å; I91-L94 PolarHBondContact O-N 3.45Å; L94-D96 VanDerWaalsContact C-N 3.26Å; L94-D96 PolarHBondContact O-N 2.9Å; L94-A97 WeakPolarHBondContact O-CB 3.49Å; L94-A97 PolarHBondContact O-N 2.98Å; L94-A97 VanDerWaalsContact O-N 3.13Å; L94-F98 HydrophobicContact CB-CE1 4.42Å; L94-F98 VanDerWaalsContact O-CD1 3.23Å; L94-F98 WeakPolarHBondContact O-CD1 3.48Å; L94-F98 PolarHBondContact O-N 2.86Å; L94-I121 HydrophobicContact CB-CG2 3.92Å; L94-I121 HydrophobicContact CD1-CD1 3.69Å; L94-I121 HydrophobicContact CD1-CG1 4.03Å; L94-I121 HydrophobicContact CD1-CG2 4.19Å
95P98.7Very high97.6Very high3 Ų344.3 Ų44.32%0.01924%0.238CC..Hα-helixtrans-52.8-38.6170.9-33.940.1000115.1I91 R93 A97 F98 R99 R124 F125 A128 Y129I91-P95 WeakPolarHBondContact O-CD 3.3Å; R93-P95 VanDerWaalsContact C-CD 3.43Å; R93-P95 VanDerWaalsContact C-N 3.29Å; P95-A97 VanDerWaalsContact C-N 3.35Å; P95-F98 PolarHBondContact O-N 2.85Å; P95-R99 PolarHBondContact O-N 2.88Å; P95-R124 HydrophobicContact CG-CB 3.76Å; P95-F125 HydrophobicContact CB-CB 4.3Å; P95-F125 HydrophobicContact CB-CD2 4.14Å; P95-F125 HydrophobicContact CG-CB 4.45Å; P95-F125 WeakPolarHBondContact O-CD2 3.29Å; P95-A128 HydrophobicContact CB-CB 4.27Å; P95-Y129 HydrophobicContact CB-CD2 4.18Å; P95-Y129 HydrophobicContact CB-CE2 3.92Å; P95-Y129 WeakPolarHBondContact O-CE2 3.33Å
96D98.7Very high97.8Very high21 Ų2146.4 Ų46.411%0.11224%0.24CC..Hα-helixtrans-66.7-40.9179.6-55.5-31.3000110.2V18 R93 L94 F98 R99 D100 Y129V18-D96 HydrophobicContact CG2-CB 3.87Å; R93-D96 IonicContact CZ-OD2 2.72Å; R93-D96 VanDerWaalsContact CZ-OD2 3.3Å; R93-D96 IonicContact NE-OD2 3.34Å; R93-D96 IonicContact NH1-OD2 3.35Å; R93-D96 PolarHBondContact NH1-OD2 3.45Å; R93-D96 WeakPolarHBondContact O-CB 3.47Å; R93-D96 PolarHBondContact O-N 2.47Å; L94-D96 VanDerWaalsContact C-N 3.26Å; L94-D96 PolarHBondContact O-N 2.9Å; D96-F98 VanDerWaalsContact C-N 3.32Å; D96-F98 PolarHBondContact O-N 3.1Å; D96-R99 WeakPolarHBondContact O-CB 3.37Å; D96-R99 PolarHBondContact O-N 2.92Å; D96-D100 VanDerWaalsContact O-CG 3.3Å; D96-D100 PolarHBondContact O-N 3.13Å; D96-D100 VanDerWaalsContact O-N 3.07Å; D96-Y129 PolarHBondContact OD1-OH 2.84Å
97A98.7Very high97.9Very high0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-60.3-42.5173.500000111.6T16 V18 L21 L94 P95 R99 D100 V101T16-A97 HydrophobicContact CG2-CB 4.03Å; T16-A97 WeakPolarHBondContact CG2-O 3.48Å; T16-A97 WeakPolarHBondContact OG1-CB 3.34Å; V18-A97 HydrophobicContact CB-CB 4.08Å; L21-A97 HydrophobicContact CD1-CB 3.75Å; L94-A97 WeakPolarHBondContact O-CB 3.49Å; L94-A97 PolarHBondContact O-N 2.98Å; L94-A97 VanDerWaalsContact O-N 3.13Å; P95-A97 VanDerWaalsContact C-N 3.35Å; A97-R99 PolarHBondContact O-N 2.75Å; A97-D100 PolarHBondContact O-N 3.19Å; A97-V101 WeakPolarHBondContact O-CG2 3.27Å; A97-V101 PolarHBondContact O-N 3.3Å
98F98.8Very high98Very high0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-68.1-37.7-178.8-69.613.2000111.1L21 L37 C39 I70 L72 L94 P95 D96 D100 V101 L102 I121 L122 F125L21-F98 HydrophobicContact CD1-CD1 4.02Å; L21-F98 HydrophobicContact CD1-CE1 4.18Å; L37-F98 HydrophobicContact CD2-CB 4.41Å; L37-F98 HydrophobicContact CD2-CD2 4.24Å; C39-F98 HydrophobicContact CB-CE2 4.02Å; C39-F98 HydrophobicContact CB-CZ 4.17Å; I70-F98 HydrophobicContact CB-CE1 4.41Å; I70-F98 HydrophobicContact CB-CZ 4.47Å; I70-F98 HydrophobicContact CD1-CB 4.22Å; I70-F98 HydrophobicContact CD1-CD1 3.42Å; I70-F98 VanDerWaalsContact CD1-CD1 3.42Å; I70-F98 HydrophobicContact CD1-CD2 3.98Å; I70-F98 HydrophobicContact CD1-CE1 3.67Å; I70-F98 HydrophobicContact CD1-CE2 4.17Å; I70-F98 HydrophobicContact CD1-CG 3.6Å; I70-F98 HydrophobicContact CD1-CZ 4.03Å; I70-F98 HydrophobicContact CG2-CD1 4.41Å; I70-F98 HydrophobicContact CG2-CE1 3.73Å; I70-F98 HydrophobicContact CG2-CZ 4.13Å; L72-F98 HydrophobicContact CD2-CE1 4.07Å; L72-F98 HydrophobicContact CD2-CZ 4.03Å; L94-F98 HydrophobicContact CB-CE1 4.42Å; L94-F98 VanDerWaalsContact O-CD1 3.23Å; L94-F98 WeakPolarHBondContact O-CD1 3.48Å; L94-F98 PolarHBondContact O-N 2.86Å; P95-F98 PolarHBondContact O-N 2.85Å; D96-F98 VanDerWaalsContact C-N 3.32Å; D96-F98 PolarHBondContact O-N 3.1Å; F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 3.34Å; F98-V101 WeakPolarHBondContact O-CB 3.43Å; F98-V101 PolarHBondContact O-N 3.32Å; F98-L102 WeakPolarHBondContact O-CG 3.43Å; F98-L102 PolarHBondContact O-N 2.81Å; F98-I121 HydrophobicContact CD2-CG2 4.43Å; F98-I121 HydrophobicContact CE2-CG2 3.57Å; F98-I121 HydrophobicContact CZ-CG2 3.71Å; F98-L122 HydrophobicContact CD2-CD2 4.16Å; F98-L122 HydrophobicContact CE2-CD2 3.97Å; F98-F125 HydrophobicContact CB-CD2 3.7Å; F98-F125 HydrophobicContact CB-CE2 3.8Å; F98-F125 HydrophobicContact CD2-CD2 4.48Å
99R98.7Very high98Very high74 Ų7448.9 Ų48.928%0.27925%0.246SC..Hα-helixtrans-58.5-45.2171.7176.7-154.565.8-156.83.1110.8P95 D96 A97 V101 L102 A103 F125 Y129 L132P95-R99 PolarHBondContact O-N 2.88Å; D96-R99 WeakPolarHBondContact O-CB 3.37Å; D96-R99 PolarHBondContact O-N 2.92Å; A97-R99 PolarHBondContact O-N 2.75Å; R99-V101 VanDerWaalsContact C-N 3.34Å; R99-V101 PolarHBondContact O-N 3.15Å; R99-L102 PolarHBondContact O-N 3.31Å; R99-A103 PolarHBondContact O-N 3.25Å; R99-F125 HydrophobicContact CB-CE2 4.21Å; R99-Y129 HydrophobicContact CB-CD2 4.19Å; R99-Y129 HydrophobicContact CB-CE1 4.43Å; R99-Y129 HydrophobicContact CB-CE2 4.02Å; R99-Y129 HydrophobicContact CB-CG 4.47Å; R99-Y129 VanDerWaalsContact CD-CE1 3.5Å; R99-Y129 HydrophobicContact CG-CD1 4.34Å; R99-Y129 HydrophobicContact CG-CE1 4.19Å; R99-Y129 PolarHBondContact NH1-OH 3.1Å; R99-L132 HydrophobicContact CG-CD1 4.1Å
100D98.7Very high98.1Very high33 Ų3348.6 Ų48.618%0.17624%0.244CC..Hα-helixtrans-65-37.5179.4-65.3-8.4000111.8T16 E17 D96 A97 F98 A103 N104T16-D100 HydrophobicContact CG2-CB 3.86Å; E17-D100 PolarHBondContact N-OD2 3.44Å; E17-D100 VanDerWaalsContact N-OD2 3.16Å; D96-D100 VanDerWaalsContact O-CG 3.3Å; D96-D100 PolarHBondContact O-N 3.13Å; D96-D100 VanDerWaalsContact O-N 3.07Å; A97-D100 PolarHBondContact O-N 3.19Å; F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 3.34Å; D100-A103 PolarHBondContact O-N 3.19Å; D100-N104 WeakPolarHBondContact O-CB 3.3Å; D100-N104 PolarHBondContact O-N 2.74Å
101V98.8Very high98.1Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-58.7-48.3171168.10000111.1I14 T16 L21 V23 I70 A97 F98 R99 A103 N104 L105I14-V101 HydrophobicContact CB-CG2 4.37Å; I14-V101 HydrophobicContact CD1-CB 4.42Å; I14-V101 HydrophobicContact CD1-CG1 4.09Å; I14-V101 HydrophobicContact CD1-CG2 4.22Å; I14-V101 HydrophobicContact CG2-CG2 4.21Å; T16-V101 HydrophobicContact CG2-CG2 4.19Å; L21-V101 HydrophobicContact CD1-CG2 3.82Å; V23-V101 HydrophobicContact CG1-CG1 3.98Å; V23-V101 HydrophobicContact CG2-CG1 3.95Å; V23-V101 HydrophobicContact CG2-CG2 3.91Å; I70-V101 HydrophobicContact CD1-CG1 4.43Å; A97-V101 WeakPolarHBondContact O-CG2 3.27Å; A97-V101 PolarHBondContact O-N 3.3Å; F98-V101 WeakPolarHBondContact O-CB 3.43Å; F98-V101 PolarHBondContact O-N 3.32Å; R99-V101 VanDerWaalsContact C-N 3.34Å; R99-V101 PolarHBondContact O-N 3.15Å; V101-A103 VanDerWaalsContact C-N 3.31Å; V101-A103 PolarHBondContact O-N 3.03Å; V101-N104 PolarHBondContact O-N 3.18Å; V101-L105 HydrophobicContact CG1-CD1 3.98Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 2.92Å
102L98.6Very high98.2Very high2 Ų245.2 Ų45.21%0.0122%0.222CC..Hα-helixtrans-62.4-39.4177.7-62-171.2000111.9L37 F98 R99 L105 K106 I107 V110 F125 L132L37-L102 HydrophobicContact CD1-CD2 4.22Å; L37-L102 HydrophobicContact CD2-CD2 4.36Å; F98-L102 WeakPolarHBondContact O-CG 3.43Å; F98-L102 PolarHBondContact O-N 2.81Å; R99-L102 PolarHBondContact O-N 3.31Å; L102-L105 CarbonylContact O-C 3.55Å; L102-K106 PolarHBondContact O-N 3Å; L102-I107 HydrophobicContact CB-CB 4.31Å; L102-I107 HydrophobicContact CD2-CB 4.02Å; L102-I107 HydrophobicContact CD2-CD1 3.92Å; L102-I107 HydrophobicContact CD2-CG2 4.03Å; L102-I107 PolarHBondContact O-N 3.15Å; L102-V110 HydrophobicContact CD1-CG1 3.9Å; L102-V110 HydrophobicContact CD1-CG2 3.99Å; L102-V110 HydrophobicContact CD2-CG1 3.68Å; L102-V110 HydrophobicContact CG-CG1 4.47Å; L102-F125 HydrophobicContact CD1-CE1 4.32Å; L102-F125 HydrophobicContact CD1-CZ 3.73Å; L102-L132 HydrophobicContact CD1-CB 4.44Å; L102-L132 HydrophobicContact CD1-CD1 4.26Å
103A98.3Very high98.4Very high69 Ų6940.3 Ų40.357%0.5720%0.196SC*.Hα-helixtrans-64.3-45.4176.500000112R99 D100 V101 L105 K106R99-A103 PolarHBondContact O-N 3.25Å; D100-A103 PolarHBondContact O-N 3.19Å; V101-A103 VanDerWaalsContact C-N 3.31Å; V101-A103 PolarHBondContact O-N 3.03Å; A103-L105 PolarHBondContact O-N 3.5Å; A103-K106 PolarHBondContact O-N 3.4Å; A103-K106 VanDerWaalsContact O-N 3.14Å
104N98.3Very high98.4Very high96 Ų9635.8 Ų35.851%0.51318%0.179SC..Hα-helixtrans-59.9-45.3177.3-173.4-71.3000111.6I14 D100 V101 K106I14-N104 HydrophobicContact CD1-CB 4.18Å; I14-N104 HydrophobicContact CG2-CB 4.19Å; D100-N104 WeakPolarHBondContact O-CB 3.3Å; D100-N104 PolarHBondContact O-N 2.74Å; V101-N104 PolarHBondContact O-N 3.18Å; N104-K106 VanDerWaalsContact C-N 3.26Å; N104-K106 PolarHBondContact O-N 3.4Å
105L98Very high98.4Very high21 Ų2135.9 Ų35.911%0.1118%0.179CC..THydrogen-bonded Turntrans-80.9-0.5178.4-63-179.2000113.9I14 V23 V25 I29 V68 V101 L102 A103 I107I14-L105 HydrophobicContact CD1-CD2 4.29Å; I14-L105 HydrophobicContact CD1-CG 4.16Å; V23-L105 HydrophobicContact CG1-CD1 4.04Å; V25-L105 HydrophobicContact CG2-CD1 3.98Å; V25-L105 HydrophobicContact CG2-CD2 4.49Å; I29-L105 HydrophobicContact CD1-CB 4.02Å; I29-L105 HydrophobicContact CD1-CD1 4.46Å; V68-L105 HydrophobicContact CG1-CD1 3.92Å; V101-L105 HydrophobicContact CG1-CD1 3.98Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 WeakPolarHBondContact O-CG 3.48Å; V101-L105 PolarHBondContact O-N 2.92Å; L102-L105 CarbonylContact O-C 3.55Å; A103-L105 PolarHBondContact O-N 3.5Å; L105-I107 VanDerWaalsContact C-N 3.27Å; L105-I107 HydrophobicContact CB-CD1 3.62Å; L105-I107 HydrophobicContact CB-CG1 3.96Å; L105-I107 HydrophobicContact CD1-CD1 3.9Å; L105-I107 HydrophobicContact CG-CD1 4.44Å; L105-I107 PolarHBondContact O-N 2.96Å
106K97.5Very high98.2Very high183 Ų18335.8 Ų35.880%0.79618%0.179SC*.THydrogen-bonded Turntrans56.437-178.5-54.6177.5-177175.50113.5L102 A103 N104L102-K106 PolarHBondContact O-N 3Å; A103-K106 PolarHBondContact O-N 3.4Å; A103-K106 VanDerWaalsContact O-N 3.14Å; N104-K106 VanDerWaalsContact C-N 3.26Å; N104-K106 PolarHBondContact O-N 3.4Å
107I98.2Very high98.1Very high12 Ų1234.8 Ų34.86%0.06217%0.173CC..  trans-90.5125.7176.9-61.9160.3000108.9I29 V35 V68 L102 L105 V110I29-I107 HydrophobicContact CD1-CD1 3.95Å; I29-I107 HydrophobicContact CD1-CG1 4.05Å; I29-I107 HydrophobicContact CG2-CG1 4.06Å; V35-I107 HydrophobicContact CB-CG2 4.14Å; V35-I107 HydrophobicContact CG1-CD1 4.1Å; V35-I107 HydrophobicContact CG1-CG2 4.2Å; V35-I107 HydrophobicContact CG2-CG2 4.15Å; V68-I107 HydrophobicContact CG2-CD1 3.86Å; L102-I107 HydrophobicContact CB-CB 4.31Å; L102-I107 HydrophobicContact CD2-CB 4.02Å; L102-I107 HydrophobicContact CD2-CD1 3.92Å; L102-I107 HydrophobicContact CD2-CG2 4.03Å; L102-I107 PolarHBondContact O-N 3.15Å; L105-I107 VanDerWaalsContact C-N 3.27Å; L105-I107 HydrophobicContact CB-CD1 3.62Å; L105-I107 HydrophobicContact CB-CG1 3.96Å; L105-I107 HydrophobicContact CD1-CD1 3.9Å; L105-I107 HydrophobicContact CG-CD1 4.44Å; L105-I107 PolarHBondContact O-N 2.96Å; I107-V110 HydrophobicContact CG2-CG1 3.59Å
108K96.5Very high98.1Very high172 Ų17234.8 Ų34.875%0.74817%0.173SC*.  trans-85.7-42.9-177-66.9-174.1178-176.60113.6L132K108-L132 WeakPolarHBondContact O-CD2 3.35Å
109N97.8Very high98.1Very high66 Ų6634.8 Ų34.835%0.35317%0.173SC..  trans-144.8147.8-175.7-60.799.4000110.1N131 L132 L134N109-N131 PolarHBondContact ND2-O 3.06Å; N109-N131 VanDerWaalsContact ND2-O 3.1Å; N109-L132 CarbonylContact C-O 3.51Å; N109-L132 VanDerWaalsContact CA-O 3.23Å; N109-L132 WeakPolarHBondContact CA-O 3.34Å; N109-L134 HydrophobicContact CB-CD1 4.04Å; N109-L134 HydrophobicContact CB-CD2 3.81Å; N109-L134 HydrophobicContact CB-CG 3.79Å
110V98.7Very high98Very high0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-133.4153.1-177.7-67.40000111.9V35 L37 L102 I107 L112 F125 L132 V133 L134V35-V110 HydrophobicContact CB-CG1 4.23Å; V35-V110 HydrophobicContact CG1-CG1 4.14Å; V35-V110 CarbonylContact O-C 3.59Å; V35-V110 VanDerWaalsContact O-CA 3.27Å; V35-V110 WeakPolarHBondContact O-CA 3.15Å; L37-V110 HydrophobicContact CB-CB 4.01Å; L37-V110 HydrophobicContact CB-CG1 4.12Å; L37-V110 HydrophobicContact CB-CG2 4.17Å; L37-V110 HydrophobicContact CD2-CG2 4.37Å; L102-V110 HydrophobicContact CD1-CG1 3.9Å; L102-V110 HydrophobicContact CD1-CG2 3.99Å; L102-V110 HydrophobicContact CD2-CG1 3.68Å; L102-V110 HydrophobicContact CG-CG1 4.47Å; I107-V110 HydrophobicContact CG2-CG1 3.59Å; V110-L112 HydrophobicContact CB-CD2 4.46Å; V110-L112 HydrophobicContact CG2-CD2 3.53Å; V110-F125 HydrophobicContact CG2-CE1 4.11Å; V110-L132 WeakPolarHBondContact CG2-O 3.39Å; V110-L132 PolarHBondContact N-O 3.07Å; V110-V133 WeakPolarHBondContact O-CA 3.28Å; V110-L134 PolarHBondContact O-N 3.42Å
111V98.7Very high98Very high0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-94.9127.9157.3-179.20000107.1V35 F36 L37 L134 G135 I137 L297 I300 L302V35-V111 PolarHBondContact O-N 2.99Å; F36-V111 CarbonylContact C-O 3.23Å; F36-V111 VanDerWaalsContact CA-O 3.27Å; F36-V111 WeakPolarHBondContact CA-O 3.41Å; F36-V111 HydrophobicContact CD1-CB 3.74Å; F36-V111 HydrophobicContact CD1-CG1 3.85Å; F36-V111 HydrophobicContact CE1-CB 3.68Å; F36-V111 HydrophobicContact CE1-CG1 3.59Å; F36-V111 HydrophobicContact CE1-CG2 4.3Å; L37-V111 PolarHBondContact N-O 3.22Å; V111-L134 HydrophobicContact CG2-CB 4.15Å; V111-L134 HydrophobicContact CG2-CD1 4.48Å; V111-G135 CarbonylContact C-O 3.01Å; V111-G135 WeakPolarHBondContact CA-O 3.3Å; V111-I137 HydrophobicContact CG1-CD1 4.19Å; V111-I137 HydrophobicContact CG1-CG1 4.46Å; V111-L297 HydrophobicContact CG1-CD2 4.13Å; V111-L297 HydrophobicContact CG2-CD2 4.05Å; V111-I300 HydrophobicContact CG2-CD1 4.49Å; V111-L302 HydrophobicContact CG2-CD1 3.45Å; V111-L302 VanDerWaalsContact CG2-CD1 3.45Å
112L98.9Very high98Very high0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-82.6137.8178.5-48.1-177.7000109.4L37 V110 L122 F125 A126 V133 G135 A136 I137L37-L112 HydrophobicContact CB-CD2 4.14Å; L37-L112 HydrophobicContact CD2-CD2 4.1Å; V110-L112 HydrophobicContact CB-CD2 4.46Å; V110-L112 HydrophobicContact CG2-CD2 3.53Å; L112-L122 HydrophobicContact CB-CB 4.16Å; L112-L122 HydrophobicContact CB-CD1 4.26Å; L112-L122 HydrophobicContact CB-CD2 4.31Å; L112-L122 HydrophobicContact CB-CG 4.48Å; L112-L122 HydrophobicContact CD1-CB 4.06Å; L112-L122 WeakPolarHBondContact CD1-O 3.31Å; L112-L122 HydrophobicContact CD2-CD2 4.14Å; L112-F125 HydrophobicContact CD1-CD1 3.95Å; L112-F125 HydrophobicContact CD2-CD1 3.68Å; L112-F125 HydrophobicContact CD2-CE1 3.96Å; L112-F125 HydrophobicContact CG-CD1 4.47Å; L112-A126 HydrophobicContact CD1-CB 3.76Å; L112-V133 HydrophobicContact CD1-CG1 3.98Å; L112-V133 HydrophobicContact CD1-CG2 4.03Å; L112-V133 HydrophobicContact CD2-CG2 4.19Å; L112-V133 HydrophobicContact CG-CG1 3.88Å; L112-V133 HydrophobicContact CG-CG2 4.22Å; L112-G135 PolarHBondContact N-O 3.29Å; L112-A136 HydrophobicContact CB-CB 4.02Å; L112-A136 HydrophobicContact CD1-CB 4.17Å; L112-A136 HydrophobicContact CG-CB 4.37Å; L112-I137 PolarHBondContact O-N 2.98Å
113F98.8Very high98Very high0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-139.6113.1175.6-174.2-82.6000109.5F36 L37 T38 Y49 F52 W67 L122 I137 I139 L282 M293F36-F113 HydrophobicContact CD1-CB 4.38Å; L37-F113 PolarHBondContact O-N 3.24Å; T38-F113 WeakPolarHBondContact CA-O 3.02Å; T38-F113 WeakPolarHBondContact CB-O 3.12Å; T38-F113 HydrophobicContact CG2-CB 4.3Å; T38-F113 HydrophobicContact CG2-CD1 4.39Å; Y49-F113 HydrophobicContact CD1-CD1 4.15Å; Y49-F113 AromaticContact CD1-CE1 3.7Å; Y49-F113 HydrophobicContact CD1-CE1 3.7Å; Y49-F113 AromaticContact CE1-CD1 3.95Å; Y49-F113 HydrophobicContact CE1-CD1 3.95Å; Y49-F113 AromaticContact CE1-CE1 3.68Å; Y49-F113 HydrophobicContact CE1-CE1 3.68Å; F52-F113 HydrophobicContact CD1-CE1 4.24Å; F52-F113 AromaticContact CD1-CZ 3.9Å; F52-F113 HydrophobicContact CD1-CZ 3.9Å; F52-F113 HydrophobicContact CE1-CE1 4.1Å; F52-F113 AromaticContact CE1-CE2 3.86Å; F52-F113 HydrophobicContact CE1-CE2 3.86Å; F52-F113 AromaticContact CE1-CZ 3.37Å; F52-F113 HydrophobicContact CE1-CZ 3.37Å; F52-F113 HydrophobicContact CZ-CE2 4.19Å; F52-F113 AromaticContact CZ-CZ 3.87Å; F52-F113 HydrophobicContact CZ-CZ 3.87Å; W67-F113 HydrophobicContact CH2-CB 4.49Å; W67-F113 HydrophobicContact CH2-CD1 4.22Å; W67-F113 HydrophobicContact CH2-CD2 4.16Å; W67-F113 HydrophobicContact CH2-CE2 4.45Å; W67-F113 HydrophobicContact CH2-CG 4.04Å; W67-F113 HydrophobicContact CZ3-CB 4.22Å; W67-F113 AromaticContact CZ3-CD1 3.81Å; W67-F113 HydrophobicContact CZ3-CD1 3.81Å; W67-F113 HydrophobicContact CZ3-CE1 4.29Å; W67-F113 AromaticContact CZ3-CG 3.93Å; W67-F113 HydrophobicContact CZ3-CG 3.93Å; F113-L122 VanDerWaalsContact C-CD1 3.49Å; F113-L122 WeakPolarHBondContact O-CD1 3.47Å; F113-I137 WeakPolarHBondContact CA-O 3.41Å; F113-I137 HydrophobicContact CD2-CB 3.85Å; F113-I137 HydrophobicContact CD2-CD1 4.04Å; F113-I137 HydrophobicContact CD2-CG2 3.76Å; F113-I137 HydrophobicContact CE2-CB 4.46Å; F113-I137 HydrophobicContact CE2-CG2 3.87Å; F113-I139 HydrophobicContact CE1-CD1 4.18Å; F113-I139 HydrophobicContact CE2-CD1 4.24Å; F113-I139 HydrophobicContact CZ-CD1 3.7Å; F113-L282 HydrophobicContact CZ-CD2 4.11Å; F113-M293 HydrophobicContact CD2-CE 4.35Å; F113-M293 HydrophobicContact CD2-SD 4.35Å; F113-M293 HydrophobicContact CE2-SD 3.99Å
114G98.6Very high98Very high0 Ų027.4 Ų27.40%013%0.128CC..EExtended strand (participates in β ladder)trans-157.9166.9176.400000114.2Y49 A119 I137 I139Y49-G114 WeakPolarHBondContact OH-CA 3.46Å; G114-A119 WeakPolarHBondContact O-CB 3.47Å; G114-I137 PolarHBondContact N-O 2.93Å; G114-I137 VanDerWaalsContact N-O 3.12Å; G114-I139 PolarHBondContact O-N 3.33Å
115E97.9Very high98.1Very high1 Ų122.9 Ų22.91%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-119.7145.2180-176.9175-161.900111.5Q48 Y49 A117 G118 A119 I139 N140 N280 L282Q48-E115 PolarHBondContact NE2-OE2 3.35Å; Y49-E115 PolarHBondContact OH-N 3.44Å; E115-A117 PolarHBondContact O-N 3.13Å; E115-G118 WeakPolarHBondContact O-CA 3.47Å; E115-G118 PolarHBondContact O-N 3.34Å; E115-A119 PolarHBondContact O-N 2.85Å; E115-A119 VanDerWaalsContact O-N 3.11Å; E115-I139 CarbonylContact C-O 3.6Å; E115-I139 VanDerWaalsContact CA-O 3.23Å; E115-I139 WeakPolarHBondContact CA-O 3.27Å; E115-I139 HydrophobicContact CB-CB 4.08Å; E115-I139 HydrophobicContact CB-CG2 4.44Å; E115-I139 HydrophobicContact CG-CB 4.16Å; E115-I139 HydrophobicContact CG-CG2 4.02Å; E115-N140 HydrophobicContact CG-CB 4.35Å; E115-N140 PolarHBondContact OE1-ND2 2.89Å; E115-N140 VanDerWaalsContact OE1-ND2 3.09Å; E115-N280 PolarHBondContact OE1-ND2 3.17Å; E115-L282 WeakPolarHBondContact OE2-CD1 3.28Å
116G95.8Very high98.1Very high2 Ų221.9 Ų21.92%0.02110%0.099CC..Hα-helixtrans56.7-118.4168.700000114G118 A119 N120 I139G116-G118 VanDerWaalsContact C-N 3.35Å; G116-A119 WeakPolarHBondContact O-CB 3.38Å; G116-A119 PolarHBondContact O-N 3.36Å; G116-N120 PolarHBondContact O-N 2.96Å; G116-N120 VanDerWaalsContact O-N 3.09Å; G116-I139 PolarHBondContact N-O 3.49Å
117A96.3Very high98.1Very high0 Ų014.6 Ų14.60%07%0.068CC..Hα-helixtrans-61-41.6175.300000112.7D41 L42 E115 A119 N120 I121 F214 Y218D41-A117 WeakPolarHBondContact OD1-CB 3.44Å; D41-A117 PolarHBondContact OD1-N 3.32Å; L42-A117 HydrophobicContact CD2-CB 3.84Å; L42-A117 HydrophobicContact CG-CB 3.89Å; E115-A117 PolarHBondContact O-N 3.13Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A117-A119 PolarHBondContact O-N 3.41Å; A117-N120 WeakPolarHBondContact O-CB 3.47Å; A117-N120 PolarHBondContact O-N 3.25Å; A117-I121 WeakPolarHBondContact O-CG1 3.22Å; A117-I121 PolarHBondContact O-N 3.27Å; A117-F214 HydrophobicContact CB-CZ 4.05Å; A117-Y218 VanDerWaalsContact CA-CE2 3.48Å; A117-Y218 WeakPolarHBondContact CA-OH 3.34Å; A117-Y218 HydrophobicContact CB-CD1 4.32Å; A117-Y218 HydrophobicContact CB-CD2 3.79Å; A117-Y218 HydrophobicContact CB-CE1 3.97Å; A117-Y218 HydrophobicContact CB-CE2 3.41Å; A117-Y218 VanDerWaalsContact CB-CE2 3.41Å; A117-Y218 HydrophobicContact CB-CG 4.23Å
118G98.3Very high98.1Very high0 Ų016.7 Ų16.70%09%0.087CC..Hα-helixtrans-62.1-41.3175.100000112.1C39 H40 E115 G116 N120 I121 L122C39-G118 WeakPolarHBondContact O-CA 3.39Å; H40-G118 WeakPolarHBondContact O-CA 3.27Å; H40-G118 PolarHBondContact O-N 3.23Å; H40-G118 VanDerWaalsContact O-N 3.09Å; E115-G118 WeakPolarHBondContact O-CA 3.47Å; E115-G118 PolarHBondContact O-N 3.34Å; G116-G118 VanDerWaalsContact C-N 3.35Å; G118-N120 VanDerWaalsContact C-N 3.35Å; G118-N120 PolarHBondContact O-N 2.75Å; G118-I121 PolarHBondContact O-N 3.22Å; G118-L122 WeakPolarHBondContact O-CB 3.23Å; G118-L122 VanDerWaalsContact O-CG 3.27Å; G118-L122 WeakPolarHBondContact O-CG 3.5Å; G118-L122 PolarHBondContact O-N 3.45Å
119A98.4Very high98.2Very high0 Ų010.1 Ų10.10%06%0.058CC..Hα-helixtrans-61.3-41173.700000112.5G114 E115 G116 A117 L122 A123 L138 C141G114-A119 WeakPolarHBondContact O-CB 3.47Å; E115-A119 PolarHBondContact O-N 2.85Å; E115-A119 VanDerWaalsContact O-N 3.11Å; G116-A119 WeakPolarHBondContact O-CB 3.38Å; G116-A119 PolarHBondContact O-N 3.36Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A117-A119 PolarHBondContact O-N 3.41Å; A119-L122 PolarHBondContact O-N 3.04Å; A119-A123 WeakPolarHBondContact O-CB 3.36Å; A119-A123 PolarHBondContact O-N 3.08Å; A119-L138 HydrophobicContact CB-CB 4.25Å; A119-L138 HydrophobicContact CB-CD2 4.11Å; A119-C141 HydrophobicContact CB-CB 3.6Å
120N97.8Very high98.1Very high0 Ų09.5 Ų9.50%06%0.055CC..Hα-helixtrans-63.6-42.9175.4-175.4-86.1000111.9G116 A117 G118 A123 R124 T142 Y218G116-N120 PolarHBondContact O-N 2.96Å; G116-N120 VanDerWaalsContact O-N 3.09Å; A117-N120 WeakPolarHBondContact O-CB 3.47Å; A117-N120 PolarHBondContact O-N 3.25Å; G118-N120 VanDerWaalsContact C-N 3.35Å; G118-N120 PolarHBondContact O-N 2.75Å; N120-A123 PolarHBondContact O-N 3.01Å; N120-R124 WeakPolarHBondContact O-CG 3.27Å; N120-R124 PolarHBondContact O-N 2.77Å; N120-R124 VanDerWaalsContact O-N 3.16Å; N120-R124 PolarHBondContact OD1-NE 3.41Å; N120-R124 PolarHBondContact OD1-NH2 2.9Å; N120-T142 PolarHBondContact ND2-O 3.06Å; N120-Y218 HydrophobicContact CB-CE2 4.16Å
121I98.6Very high98.1Very high0 Ų015.1 Ų15.10%09%0.085CC..Hα-helixtrans-62.4-45.2177.1-67.5159.1000110.1L72 I91 L94 F98 A117 G118 A123 R124 F125 F214L72-I121 HydrophobicContact CD1-CD1 3.79Å; I91-I121 HydrophobicContact CD1-CD1 4.48Å; I91-I121 HydrophobicContact CG2-CG1 3.88Å; L94-I121 HydrophobicContact CB-CG2 3.92Å; L94-I121 HydrophobicContact CD1-CD1 3.69Å; L94-I121 HydrophobicContact CD1-CG1 4.03Å; L94-I121 HydrophobicContact CD1-CG2 4.19Å; F98-I121 HydrophobicContact CD2-CG2 4.43Å; F98-I121 HydrophobicContact CE2-CG2 3.57Å; F98-I121 HydrophobicContact CZ-CG2 3.71Å; A117-I121 WeakPolarHBondContact O-CG1 3.22Å; A117-I121 PolarHBondContact O-N 3.27Å; G118-I121 PolarHBondContact O-N 3.22Å; I121-A123 PolarHBondContact O-N 3.46Å; I121-R124 WeakPolarHBondContact O-CB 3.36Å; I121-R124 PolarHBondContact O-N 3.14Å; I121-R124 VanDerWaalsContact O-N 3.12Å; I121-F125 PolarHBondContact O-N 3.05Å; I121-F214 HydrophobicContact CD1-CE2 4.18Å; I121-F214 HydrophobicContact CD1-CZ 4.28Å
122L98.8Very high98Very high0 Ų016.4 Ų16.40%09%0.092CC..Hα-helixtrans-65.3-36.7177.5-69.2172.3000112.4L37 C39 F98 L112 F113 G118 A119 R124 F125 A126 L138L37-L122 HydrophobicContact CD2-CD2 4.31Å; L37-L122 HydrophobicContact CG-CD2 4.39Å; C39-L122 HydrophobicContact CB-CD1 4.01Å; C39-L122 HydrophobicContact CB-CD2 4.14Å; C39-L122 HydrophobicContact CB-CG 3.86Å; F98-L122 HydrophobicContact CD2-CD2 4.16Å; F98-L122 HydrophobicContact CE2-CD2 3.97Å; L112-L122 HydrophobicContact CB-CB 4.16Å; L112-L122 HydrophobicContact CB-CD1 4.26Å; L112-L122 HydrophobicContact CB-CD2 4.31Å; L112-L122 HydrophobicContact CB-CG 4.48Å; L112-L122 HydrophobicContact CD1-CB 4.06Å; L112-L122 WeakPolarHBondContact CD1-O 3.31Å; L112-L122 HydrophobicContact CD2-CD2 4.14Å; F113-L122 VanDerWaalsContact C-CD1 3.49Å; F113-L122 WeakPolarHBondContact O-CD1 3.47Å; G118-L122 WeakPolarHBondContact O-CB 3.23Å; G118-L122 VanDerWaalsContact O-CG 3.27Å; G118-L122 WeakPolarHBondContact O-CG 3.5Å; G118-L122 PolarHBondContact O-N 3.45Å; A119-L122 PolarHBondContact O-N 3.04Å; L122-R124 VanDerWaalsContact C-N 3.26Å; L122-R124 PolarHBondContact O-N 2.72Å; L122-F125 WeakPolarHBondContact O-CA 3.41Å; L122-F125 WeakPolarHBondContact O-CB 3.38Å; L122-F125 PolarHBondContact O-N 3.09Å; L122-F125 VanDerWaalsContact O-N 3.1Å; L122-A126 PolarHBondContact O-N 2.78Å; L122-L138 HydrophobicContact CB-CD2 4.18Å
123A98.5Very high98Very high1 Ų117 Ų171%0.00810%0.095CC..Hα-helixtrans-59.7-38.717200000111.7A119 N120 I121 A126 I127 L138 L224A119-A123 WeakPolarHBondContact O-CB 3.36Å; A119-A123 PolarHBondContact O-N 3.08Å; N120-A123 PolarHBondContact O-N 3.01Å; I121-A123 PolarHBondContact O-N 3.46Å; A123-A126 PolarHBondContact O-N 3.22Å; A123-I127 WeakPolarHBondContact O-CD1 3.29Å; A123-I127 WeakPolarHBondContact O-CG1 3.42Å; A123-I127 PolarHBondContact O-N 2.98Å; A123-L138 HydrophobicContact CB-CD1 4Å; A123-L224 HydrophobicContact CB-CD1 3.93Å
124R98.4Very high98Very high22 Ų2220.1 Ų20.18%0.08311%0.111CC..Hα-helixtrans-68-36.3173.6-63.6172.7-170.8-79.1-4.7112.3P95 N120 I121 L122 I127 A128 K222 L224P95-R124 HydrophobicContact CG-CB 3.76Å; N120-R124 WeakPolarHBondContact O-CG 3.27Å; N120-R124 PolarHBondContact O-N 2.77Å; N120-R124 VanDerWaalsContact O-N 3.16Å; N120-R124 PolarHBondContact OD1-NE 3.41Å; N120-R124 PolarHBondContact OD1-NH2 2.9Å; I121-R124 WeakPolarHBondContact O-CB 3.36Å; I121-R124 PolarHBondContact O-N 3.14Å; I121-R124 VanDerWaalsContact O-N 3.12Å; L122-R124 VanDerWaalsContact C-N 3.26Å; L122-R124 PolarHBondContact O-N 2.72Å; R124-I127 PolarHBondContact O-N 2.79Å; R124-A128 WeakPolarHBondContact O-CB 3.47Å; R124-A128 PolarHBondContact O-N 3.34Å; R124-K222 PolarHBondContact NH2-O 3.33Å; R124-L224 HydrophobicContact CG-CD2 3.62Å
125F98.8Very high98Very high0 Ų020.1 Ų20.10%011%0.111CC..Hα-helixtrans-61.6-46.9173.5-179.5-96.3000111.5L37 P95 F98 R99 L102 V110 L112 I121 L122 I127 A128 Y129 L132 V133L37-F125 HydrophobicContact CD2-CE1 4.34Å; P95-F125 HydrophobicContact CB-CB 4.3Å; P95-F125 HydrophobicContact CB-CD2 4.14Å; P95-F125 HydrophobicContact CG-CB 4.45Å; P95-F125 WeakPolarHBondContact O-CD2 3.29Å; F98-F125 HydrophobicContact CB-CD2 3.7Å; F98-F125 HydrophobicContact CB-CE2 3.8Å; F98-F125 HydrophobicContact CD2-CD2 4.48Å; R99-F125 HydrophobicContact CB-CE2 4.21Å; L102-F125 HydrophobicContact CD1-CE1 4.32Å; L102-F125 HydrophobicContact CD1-CZ 3.73Å; V110-F125 HydrophobicContact CG2-CE1 4.11Å; L112-F125 HydrophobicContact CD1-CD1 3.95Å; L112-F125 HydrophobicContact CD2-CD1 3.68Å; L112-F125 HydrophobicContact CD2-CE1 3.96Å; L112-F125 HydrophobicContact CG-CD1 4.47Å; I121-F125 PolarHBondContact O-N 3.05Å; L122-F125 WeakPolarHBondContact O-CA 3.41Å; L122-F125 WeakPolarHBondContact O-CB 3.38Å; L122-F125 PolarHBondContact O-N 3.09Å; L122-F125 VanDerWaalsContact O-N 3.1Å; F125-I127 VanDerWaalsContact C-N 3.29Å; F125-I127 PolarHBondContact O-N 2.78Å; F125-A128 PolarHBondContact O-N 2.82Å; F125-Y129 AromaticContact CD2-CD2 3.75Å; F125-Y129 HydrophobicContact CD2-CD2 3.75Å; F125-Y129 AromaticContact CE2-CD2 3.69Å; F125-Y129 HydrophobicContact CE2-CD2 3.69Å; F125-Y129 HydrophobicContact CE2-CG 4.18Å; F125-Y129 PolarHBondContact O-N 2.98Å; F125-L132 HydrophobicContact CE1-CB 4.44Å; F125-L132 HydrophobicContact CZ-CB 4.26Å; F125-L132 HydrophobicContact CZ-CD1 4.05Å; F125-V133 HydrophobicContact CD1-CG2 3.82Å; F125-V133 HydrophobicContact CE1-CG2 3.66Å
126A98.5Very high98Very high0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-60.4-36.7174.600000113.2L112 L122 A123 D130 V133 L231L112-A126 HydrophobicContact CD1-CB 3.76Å; L122-A126 PolarHBondContact O-N 2.78Å; A123-A126 PolarHBondContact O-N 3.22Å; A126-D130 VanDerWaalsContact O-CA 3.24Å; A126-D130 WeakPolarHBondContact O-CA 3.42Å; A126-D130 WeakPolarHBondContact O-CB 3.49Å; A126-D130 PolarHBondContact O-N 2.64Å; A126-D130 VanDerWaalsContact O-N 3.16Å; A126-V133 HydrophobicContact CB-CG1 4.32Å; A126-V133 HydrophobicContact CB-CG2 4.32Å; A126-L231 HydrophobicContact CB-CD1 3.4Å; A126-L231 VanDerWaalsContact CB-CD1 3.4Å
127I97.8Very high98.2Very high31 Ų3120 Ų2016%0.15911%0.11CC..Hα-helixtrans-66.7-44.3175.1-76.2162.6000112.1A123 R124 F125 L224 L231A123-I127 WeakPolarHBondContact O-CD1 3.29Å; A123-I127 WeakPolarHBondContact O-CG1 3.42Å; A123-I127 PolarHBondContact O-N 2.98Å; R124-I127 PolarHBondContact O-N 2.79Å; F125-I127 VanDerWaalsContact C-N 3.29Å; F125-I127 PolarHBondContact O-N 2.78Å; I127-L224 HydrophobicContact CD1-CD2 4.08Å; I127-L231 HydrophobicContact CD1-CB 4.35Å; I127-L231 HydrophobicContact CG1-CB 3.8Å; I127-L231 HydrophobicContact CG1-CD1 4.21Å
128A98Very high98.3Very high55 Ų5520 Ų2046%0.45511%0.111SC..Hα-helixtrans-79.5-32.7-174.500000112.9P95 R124 F125P95-A128 HydrophobicContact CB-CB 4.27Å; R124-A128 WeakPolarHBondContact O-CB 3.47Å; R124-A128 PolarHBondContact O-N 3.34Å; F125-A128 PolarHBondContact O-N 2.82Å
129Y98.3Very high98.3Very high35 Ų3520 Ų2014%0.13711%0.111CC..  trans-133.845.7-170.2-60-66000111.9P95 D96 R99 F125 N131 L132P95-Y129 HydrophobicContact CB-CD2 4.18Å; P95-Y129 HydrophobicContact CB-CE2 3.92Å; P95-Y129 WeakPolarHBondContact O-CE2 3.33Å; D96-Y129 PolarHBondContact OD1-OH 2.84Å; R99-Y129 HydrophobicContact CB-CD2 4.19Å; R99-Y129 HydrophobicContact CB-CE1 4.43Å; R99-Y129 HydrophobicContact CB-CE2 4.02Å; R99-Y129 HydrophobicContact CB-CG 4.47Å; R99-Y129 VanDerWaalsContact CD-CE1 3.5Å; R99-Y129 HydrophobicContact CG-CD1 4.34Å; R99-Y129 HydrophobicContact CG-CE1 4.19Å; R99-Y129 PolarHBondContact NH1-OH 3.1Å; F125-Y129 AromaticContact CD2-CD2 3.75Å; F125-Y129 HydrophobicContact CD2-CD2 3.75Å; F125-Y129 AromaticContact CE2-CD2 3.69Å; F125-Y129 HydrophobicContact CE2-CD2 3.69Å; F125-Y129 HydrophobicContact CE2-CG 4.18Å; F125-Y129 PolarHBondContact O-N 2.98Å; Y129-N131 PolarHBondContact O-N 2.75Å; Y129-N131 VanDerWaalsContact O-N 3.07Å; Y129-L132 HydrophobicContact CG-CD1 4.43Å; Y129-L132 WeakPolarHBondContact O-CB 3.47Å; Y129-L132 PolarHBondContact O-N 3.02Å
130D96.6Very high98.2Very high53 Ų5320.3 Ų20.328%0.28311%0.112SC..G310 helixtrans-50-35.2-179.9-175.765.9000112.7A126 L132 V133 C233A126-D130 VanDerWaalsContact O-CA 3.24Å; A126-D130 WeakPolarHBondContact O-CA 3.42Å; A126-D130 WeakPolarHBondContact O-CB 3.49Å; A126-D130 PolarHBondContact O-N 2.64Å; A126-D130 VanDerWaalsContact O-N 3.16Å; D130-L132 PolarHBondContact O-N 2.83Å; D130-L132 VanDerWaalsContact O-N 3.09Å; D130-V133 PolarHBondContact O-N 2.95Å; D130-C233 PolarHBondContact OD1-N 3.07Å
131N97.2Very high98.1Very high117 Ų11720.3 Ų20.363%0.62611%0.112SC*.G310 helixtrans-63.4-15.4177.269.1-72.1000114.7N109 Y129N109-N131 PolarHBondContact ND2-O 3.06Å; N109-N131 VanDerWaalsContact ND2-O 3.1Å; Y129-N131 PolarHBondContact O-N 2.75Å; Y129-N131 VanDerWaalsContact O-N 3.07Å
132L98.4Very high97.8Very high28 Ų2820.7 Ų20.715%0.14711%0.114CC..G310 helixtrans-98.6-3.8176.2-55.8-178000112.3R99 L102 K108 N109 V110 F125 Y129 D130R99-L132 HydrophobicContact CG-CD1 4.1Å; L102-L132 HydrophobicContact CD1-CB 4.44Å; L102-L132 HydrophobicContact CD1-CD1 4.26Å; K108-L132 WeakPolarHBondContact O-CD2 3.35Å; N109-L132 CarbonylContact C-O 3.51Å; N109-L132 VanDerWaalsContact CA-O 3.23Å; N109-L132 WeakPolarHBondContact CA-O 3.34Å; V110-L132 WeakPolarHBondContact CG2-O 3.39Å; V110-L132 PolarHBondContact N-O 3.07Å; F125-L132 HydrophobicContact CE1-CB 4.44Å; F125-L132 HydrophobicContact CZ-CB 4.26Å; F125-L132 HydrophobicContact CZ-CD1 4.05Å; Y129-L132 HydrophobicContact CG-CD1 4.43Å; Y129-L132 WeakPolarHBondContact O-CB 3.47Å; Y129-L132 PolarHBondContact O-N 3.02Å; D130-L132 PolarHBondContact O-N 2.83Å; D130-L132 VanDerWaalsContact O-N 3.09Å
133V98.6Very high97.2Very high12 Ų1221 Ų217%0.07312%0.117CC..EExtended strand (participates in β ladder)trans-115.6122.8-168.7-178.40000111.7V110 L112 F125 A126 D130 C233V110-V133 WeakPolarHBondContact O-CA 3.28Å; L112-V133 HydrophobicContact CD1-CG1 3.98Å; L112-V133 HydrophobicContact CD1-CG2 4.03Å; L112-V133 HydrophobicContact CD2-CG2 4.19Å; L112-V133 HydrophobicContact CG-CG1 3.88Å; L112-V133 HydrophobicContact CG-CG2 4.22Å; F125-V133 HydrophobicContact CD1-CG2 3.82Å; F125-V133 HydrophobicContact CE1-CG2 3.66Å; A126-V133 HydrophobicContact CB-CG1 4.32Å; A126-V133 HydrophobicContact CB-CG2 4.32Å; D130-V133 PolarHBondContact O-N 2.95Å; V133-C233 HydrophobicContact CB-CB 4.37Å; V133-C233 HydrophobicContact CG1-CB 3.93Å
134L97.8Very high96.5Very high65 Ų6523.1 Ų23.134%0.3413%0.13SC..EExtended strand (participates in β ladder)trans-84.1-29.3175.3-59175.4000112.3N109 V110 V111 L302N109-L134 HydrophobicContact CB-CD1 4.04Å; N109-L134 HydrophobicContact CB-CD2 3.81Å; N109-L134 HydrophobicContact CB-CG 3.79Å; V110-L134 PolarHBondContact O-N 3.42Å; V111-L134 HydrophobicContact CG2-CB 4.15Å; V111-L134 HydrophobicContact CG2-CD1 4.48Å; L134-L302 HydrophobicContact CB-CD1 4.41Å; L134-L302 HydrophobicContact CD1-CD1 3.96Å; L134-L302 HydrophobicContact CD1-CD2 4.3Å
135G98.4Very high95.3Very high0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans176164.8178.700000110.6V111 L112 P234V111-G135 CarbonylContact C-O 3.01Å; V111-G135 WeakPolarHBondContact CA-O 3.3Å; L112-G135 PolarHBondContact N-O 3.29Å; G135-P234 CarbonylContact C-O 3.57Å; G135-P234 VanDerWaalsContact CA-O 3.22Å; G135-P234 WeakPolarHBondContact CA-O 3.43Å
136A98.8Very high93.7Very high0 Ų025.7 Ų25.70%015%0.149CC..EExtended strand (participates in β ladder)trans-130.4125-178.700000111.9L112 L138 P234 V235 L236L112-A136 HydrophobicContact CB-CB 4.02Å; L112-A136 HydrophobicContact CD1-CB 4.17Å; L112-A136 HydrophobicContact CG-CB 4.37Å; A136-L138 HydrophobicContact CB-CD1 4.33Å; A136-L138 HydrophobicContact CB-CD2 4.17Å; A136-L138 HydrophobicContact CB-CG 4.04Å; A136-P234 PolarHBondContact N-O 2.96Å; A136-V235 HydrophobicContact CB-CG2 4.44Å; A136-V235 CarbonylContact O-C 3.54Å; A136-V235 WeakPolarHBondContact O-CA 3.33Å; A136-L236 PolarHBondContact O-N 3.49Å
137I98.8Very high91.7Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-104109.8172.9-57.5166.1000107.1F36 V111 L112 F113 G114 L236 I238 M293 F296F36-I137 HydrophobicContact CE1-CD1 4.45Å; V111-I137 HydrophobicContact CG1-CD1 4.19Å; V111-I137 HydrophobicContact CG1-CG1 4.46Å; L112-I137 PolarHBondContact O-N 2.98Å; F113-I137 WeakPolarHBondContact CA-O 3.41Å; F113-I137 HydrophobicContact CD2-CB 3.85Å; F113-I137 HydrophobicContact CD2-CD1 4.04Å; F113-I137 HydrophobicContact CD2-CG2 3.76Å; F113-I137 HydrophobicContact CE2-CB 4.46Å; F113-I137 HydrophobicContact CE2-CG2 3.87Å; G114-I137 PolarHBondContact N-O 2.93Å; G114-I137 VanDerWaalsContact N-O 3.12Å; I137-L236 CarbonylContact C-O 3.55Å; I137-L236 WeakPolarHBondContact CA-O 3.23Å; I137-L236 HydrophobicContact CG1-CB 4.35Å; I137-L236 HydrophobicContact CG1-CD2 4.35Å; I137-L236 HydrophobicContact CG2-CD2 4.22Å; I137-I238 HydrophobicContact CG2-CD1 4.12Å; I137-M293 HydrophobicContact CD1-CB 4.33Å; I137-M293 HydrophobicContact CD1-CE 4.08Å; I137-M293 HydrophobicContact CD1-CG 3.73Å; I137-M293 HydrophobicContact CD1-SD 4.27Å; I137-F296 HydrophobicContact CD1-CD1 4.06Å; I137-F296 HydrophobicContact CD1-CE1 4.39Å; I137-F296 HydrophobicContact CG1-CD1 3.75Å; I137-F296 HydrophobicContact CG1-CE1 3.79Å
138L98.7Very high89.5Confident2 Ų232.7 Ų32.71%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-121.3103.9-167.2-60.5-177.7000109.9A119 L122 A123 A136 C141 V235 L236 L237 I238A119-L138 HydrophobicContact CB-CB 4.25Å; A119-L138 HydrophobicContact CB-CD2 4.11Å; L122-L138 HydrophobicContact CB-CD2 4.18Å; A123-L138 HydrophobicContact CB-CD1 4Å; A136-L138 HydrophobicContact CB-CD1 4.33Å; A136-L138 HydrophobicContact CB-CD2 4.17Å; A136-L138 HydrophobicContact CB-CG 4.04Å; L138-C141 HydrophobicContact CB-CB 3.8Å; L138-V235 HydrophobicContact CD1-CG1 4.02Å; L138-L236 PolarHBondContact N-O 3.49Å; L138-L237 HydrophobicContact CB-CD2 3.75Å; L138-L237 HydrophobicContact CD1-CD2 4.39Å; L138-L237 WeakPolarHBondContact O-CA 3.41Å; L138-I238 PolarHBondContact O-N 3.33Å; L138-I238 VanDerWaalsContact O-N 3.1Å
139I98.5Very high87.4Confident0 Ų034 Ų340%019%0.192CC..EExtended strand (participates in β ladder)trans-92.1132-175.9-54.6177.6000109.6F113 G114 E115 G116 C141 I238 V281 L282 V289F113-I139 HydrophobicContact CE1-CD1 4.18Å; F113-I139 HydrophobicContact CE2-CD1 4.24Å; F113-I139 HydrophobicContact CZ-CD1 3.7Å; G114-I139 PolarHBondContact O-N 3.33Å; E115-I139 CarbonylContact C-O 3.6Å; E115-I139 VanDerWaalsContact CA-O 3.23Å; E115-I139 WeakPolarHBondContact CA-O 3.27Å; E115-I139 HydrophobicContact CB-CB 4.08Å; E115-I139 HydrophobicContact CB-CG2 4.44Å; E115-I139 HydrophobicContact CG-CB 4.16Å; E115-I139 HydrophobicContact CG-CG2 4.02Å; G116-I139 PolarHBondContact N-O 3.49Å; I139-C141 PolarHBondContact O-N 3.3Å; I139-I238 CarbonylContact C-O 3.56Å; I139-I238 VanDerWaalsContact CA-O 3.3Å; I139-I238 WeakPolarHBondContact CA-O 3.47Å; I139-I238 HydrophobicContact CG1-CB 4.3Å; I139-V281 HydrophobicContact CG2-CG2 3.44Å; I139-V281 VanDerWaalsContact CG2-CG2 3.44Å; I139-L282 HydrophobicContact CD1-CD1 4.11Å; I139-L282 HydrophobicContact CD1-CD2 3.58Å; I139-L282 HydrophobicContact CD1-CG 3.9Å; I139-V289 HydrophobicContact CD1-CG1 4.17Å
140N96.1Very high85.2Confident6 Ų640.3 Ų40.33%0.03222%0.223CC..SBendtrans51.228.2179.2-66.9-34000113.5E115 I238 T239E115-N140 HydrophobicContact CG-CB 4.35Å; E115-N140 PolarHBondContact OE1-ND2 2.89Å; E115-N140 VanDerWaalsContact OE1-ND2 3.09Å; N140-I238 PolarHBondContact N-O 3.03Å; N140-T239 WeakPolarHBondContact OD1-CA 3.43Å; N140-T239 WeakPolarHBondContact OD1-CB 3.38Å; N140-T239 PolarHBondContact OD1-OG1 3.3Å
141C96.7Very high83.1Confident0 Ų040.8 Ų40.80%023%0.23CC..  trans-73.6136.5-174.5-174.80000111.3A119 L138 I139 L237 C249 L252A119-C141 HydrophobicContact CB-CB 3.6Å; L138-C141 HydrophobicContact CB-CB 3.8Å; I139-C141 PolarHBondContact O-N 3.3Å; C141-L237 HydrophobicContact CB-CD2 3.88Å; C141-C249 VanDerWaalsContact O-CA 3.27Å; C141-C249 WeakPolarHBondContact O-CA 3.41Å; C141-C249 WeakPolarHBondContact O-CB 3.43Å; C141-C249 PolarHBondContact O-SG 2.88Å; C141-C249 VanDerWaalsContact O-SG 3.34Å; C141-L252 HydrophobicContact CB-CD2 4.23Å
142T92.8Very high81.1Confident8 Ų837.4 Ų37.45%0.04921%0.212CC..  trans-123.6136.9177.360.90000111N120 H245 K248N120-T142 PolarHBondContact ND2-O 3.06Å; T142-H245 HydrophobicContact CG2-CB 3.66Å; T142-K248 HydrophobicContact CG2-CB 3.65Å; T142-K248 HydrophobicContact CG2-CD 4.27Å
143G85.6Confident79.2Confident5 Ų543.2 Ų43.25%0.05223%0.232CC..SBendtrans-84.8-29.8176.900000113.9N223 L224G143-N223 PolarHBondContact O-OD1 3.34Å; G143-N223 VanDerWaalsContact O-OD1 3.13Å; G143-L224 PolarHBondContact O-N 3.19Å
144T82.8Confident77.3Confident47 Ų4746.8 Ų46.829%0.28825%0.251SS..SBendtrans-93.2141.7-175.959.10000111.2R221T144-R221 PolarHBondContact O-NH2 3.29Å
145P73.7Confident75.7Confident39 Ų3948.7 Ų48.725%0.25326%0.256SS..PPolyproline II helixtrans-56.2148.2164.8-20.533.5000109.3T147 R221P145-T147 PolarHBondContact O-N 2.82Å; P145-T147 VanDerWaalsContact O-N 3.09Å; P145-R221 VanDerWaalsContact CG-O 3.3Å; P145-R221 WeakPolarHBondContact CG-O 3.48Å
146P65.6Low73.9Confident36 Ų3650.2 Ų50.223%0.23426%0.264CS..PPolyproline II helixtrans-58.4121.6174.521.1-28000109.7F148 M219P146-F148 VanDerWaalsContact C-N 3.29Å; P146-F148 HydrophobicContact CB-CD2 4.5Å; P146-F148 HydrophobicContact CB-CE2 4.45Å; P146-F148 HydrophobicContact CG-CD2 4.32Å; P146-F148 HydrophobicContact CG-CE2 3.82Å; P146-F148 HydrophobicContact CG-CZ 4.24Å; P146-F148 WeakPolarHBondContact O-CD2 3.33Å; P146-F148 PolarHBondContact O-N 3.12Å; P146-M219 HydrophobicContact CG-CE 4.13Å; P146-M219 HydrophobicContact CG-SD 3.37Å; P146-M219 WeakPolarHBondContact CG-SD 3.36Å
147T56.1Low72.2Confident126 Ų12654.8 Ų54.877%0.77329%0.287SS*.  trans-64.998.8157.3-43.80000106P145P145-T147 PolarHBondContact O-N 2.82Å; P145-T147 VanDerWaalsContact O-N 3.09Å
148F52.9Low70.4Confident52 Ų5259.5 Ų59.523%0.22831%0.312CS..  trans-61.6139.2178.1-77.2-101.4000109.3P146 L152 R153 L156 M219P146-F148 VanDerWaalsContact C-N 3.29Å; P146-F148 HydrophobicContact CB-CD2 4.5Å; P146-F148 HydrophobicContact CB-CE2 4.45Å; P146-F148 HydrophobicContact CG-CD2 4.32Å; P146-F148 HydrophobicContact CG-CE2 3.82Å; P146-F148 HydrophobicContact CG-CZ 4.24Å; P146-F148 WeakPolarHBondContact O-CD2 3.33Å; P146-F148 PolarHBondContact O-N 3.12Å; F148-L152 HydrophobicContact CD1-CB 4.04Å; F148-L152 HydrophobicContact CD1-CD2 3.18Å; F148-L152 HydrophobicContact CD1-CG 4.2Å; F148-L152 HydrophobicContact CE1-CD2 3.23Å; F148-L152 HydrophobicContact CG-CD2 4.34Å; F148-L152 HydrophobicContact CZ-CD2 4.41Å; F148-R153 HydrophobicContact CB-CB 4.12Å; F148-R153 HydrophobicContact CD1-CB 4.19Å; F148-R153 HydrophobicContact CG-CB 4.35Å; F148-L156 HydrophobicContact CE1-CD2 4.31Å; F148-L156 HydrophobicContact CZ-CD2 4.26Å; F148-M219 HydrophobicContact CE1-CE 4.33Å; F148-M219 HydrophobicContact CE1-SD 4.44Å; F148-M219 HydrophobicContact CE2-CB 4.36Å; F148-M219 HydrophobicContact CE2-CG 4.25Å; F148-M219 HydrophobicContact CE2-SD 3.77Å; F148-M219 HydrophobicContact CZ-CB 4.18Å; F148-M219 HydrophobicContact CZ-CE 3.76Å; F148-M219 HydrophobicContact CZ-CG 3.68Å; F148-M219 HydrophobicContact CZ-SD 3.37Å; F148-M219 WeakPolarHBondContact CZ-SD 3.1Å
149T53.6Low68.7Low84 Ų8459.6 Ų59.652%0.51531%0.312SS..  trans-68.8146.8152.360.30000107.7S151 L152 R153T149-S151 PolarHBondContact O-N 2.78Å; T149-S151 PolarHBondContact OG1-OG 2.85Å; T149-L152 PolarHBondContact O-N 2.88Å; T149-L152 WeakPolarHBondContact OG1-CB 3.48Å; T149-R153 PolarHBondContact O-N 2.9Å
150E51.2Low66.9Low166 Ų16665.9 Ų65.978%0.77634%0.34SS*.Hα-helixtrans-49.6-44.7179.8-67.9178.8156.800111.3L152 R153 D154E150-L152 VanDerWaalsContact C-N 3.27Å; E150-L152 PolarHBondContact O-N 2.95Å; E150-L152 VanDerWaalsContact O-N 3.16Å; E150-R153 WeakPolarHBondContact O-CB 3.23Å; E150-R153 PolarHBondContact O-N 2.9Å; E150-R153 VanDerWaalsContact O-N 3.13Å; E150-D154 VanDerWaalsContact O-CG 3.28Å; E150-D154 PolarHBondContact O-N 2.84Å
151S53.6Low64.9Low63 Ų6372.3 Ų72.344%0.44137%0.373SS..Hα-helixtrans-57.3-32.9177.472.50000115.1T149 K155T149-S151 PolarHBondContact O-N 2.78Å; T149-S151 PolarHBondContact OG1-OG 2.85Å; S151-K155 WeakPolarHBondContact O-CB 3.33Å; S151-K155 WeakPolarHBondContact O-CD 3.49Å; S151-K155 WeakPolarHBondContact O-CG 3.37Å; S151-K155 PolarHBondContact O-N 3.36Å; S151-K155 VanDerWaalsContact O-N 3.09Å
152L55Low62.9Low47 Ų4774.6 Ų74.625%0.24639%0.389CS..Hα-helixtrans-81.9-33.2-177.4-157.7147.1000110.3F148 T149 E150 L156 F173F148-L152 HydrophobicContact CD1-CB 4.04Å; F148-L152 HydrophobicContact CD1-CD2 3.18Å; F148-L152 HydrophobicContact CD1-CG 4.2Å; F148-L152 HydrophobicContact CE1-CD2 3.23Å; F148-L152 HydrophobicContact CG-CD2 4.34Å; F148-L152 HydrophobicContact CZ-CD2 4.41Å; T149-L152 PolarHBondContact O-N 2.88Å; T149-L152 WeakPolarHBondContact OG1-CB 3.48Å; E150-L152 VanDerWaalsContact C-N 3.27Å; E150-L152 PolarHBondContact O-N 2.95Å; E150-L152 VanDerWaalsContact O-N 3.16Å; L152-L156 WeakPolarHBondContact O-CB 3.45Å; L152-L156 PolarHBondContact O-N 2.98Å; L152-F173 HydrophobicContact CD1-CD2 3.62Å; L152-F173 HydrophobicContact CD1-CE2 3.81Å; L152-F173 HydrophobicContact CD2-CD2 3.85Å; L152-F173 HydrophobicContact CD2-CE2 3.63Å; L152-F173 HydrophobicContact CD2-CZ 4.27Å; L152-F173 HydrophobicContact CG-CD2 3.92Å; L152-F173 HydrophobicContact CG-CE2 4.15Å
153R57.7Low61.2Low150 Ų15077.6 Ų77.657%0.56641%0.411SS*.Hα-helixtrans-66.2-45.5171.1-171.3-175.6-179.7111.3-2.2110.5F148 T149 E150 K155 L156 M157F148-R153 HydrophobicContact CB-CB 4.12Å; F148-R153 HydrophobicContact CD1-CB 4.19Å; F148-R153 HydrophobicContact CG-CB 4.35Å; T149-R153 PolarHBondContact O-N 2.9Å; E150-R153 WeakPolarHBondContact O-CB 3.23Å; E150-R153 PolarHBondContact O-N 2.9Å; E150-R153 VanDerWaalsContact O-N 3.13Å; R153-K155 VanDerWaalsContact C-N 3.35Å; R153-K155 PolarHBondContact O-N 3.13Å; R153-L156 PolarHBondContact O-N 2.87Å; R153-M157 HydrophobicContact CG-CG 4.48Å; R153-M157 HydrophobicContact CG-SD 3.95Å; R153-M157 WeakPolarHBondContact O-CB 3.25Å; R153-M157 VanDerWaalsContact O-CG 3.28Å; R153-M157 WeakPolarHBondContact O-CG 3.49Å; R153-M157 PolarHBondContact O-N 3.1Å
154D59Low60.3Low87 Ų8782.4 Ų82.447%0.46544%0.443SS..Hα-helixtrans-62.2-42.3178.3-66.3-20.7000111.5E150 M157 N158E150-D154 VanDerWaalsContact O-CG 3.28Å; E150-D154 PolarHBondContact O-N 2.84Å; D154-M157 PolarHBondContact O-N 3.09Å; D154-N158 VanDerWaalsContact O-CB 3.27Å; D154-N158 WeakPolarHBondContact O-CB 3.37Å; D154-N158 PolarHBondContact O-N 3.45Å; D154-N158 PolarHBondContact O-ND2 2.87Å
155K64.2Low59.9Low104 Ų10482 Ų8245%0.45245%0.448SS..Hα-helixtrans-63.7-43.4175.1-74.7168.8-176.9-178.70112.7S151 R153 N158 W159 A169S151-K155 WeakPolarHBondContact O-CB 3.33Å; S151-K155 WeakPolarHBondContact O-CD 3.49Å; S151-K155 WeakPolarHBondContact O-CG 3.37Å; S151-K155 PolarHBondContact O-N 3.36Å; S151-K155 VanDerWaalsContact O-N 3.09Å; R153-K155 VanDerWaalsContact C-N 3.35Å; R153-K155 PolarHBondContact O-N 3.13Å; K155-N158 PolarHBondContact O-N 3.09Å; K155-W159 WeakPolarHBondContact O-CB 3.18Å; K155-W159 PolarHBondContact O-N 2.78Å; K155-A169 HydrophobicContact CB-CB 4.45Å; K155-A169 HydrophobicContact CD-CB 4.2Å; K155-A169 HydrophobicContact CG-CB 4.2Å
156L61.3Low60.2Low32 Ų3281.6 Ų81.617%0.16844%0.444CS..Hα-helixtrans-64.1-42.3176.4-167.595.3000111.2F148 L152 R153 W159 K160 I215 M219F148-L156 HydrophobicContact CE1-CD2 4.31Å; F148-L156 HydrophobicContact CZ-CD2 4.26Å; L152-L156 WeakPolarHBondContact O-CB 3.45Å; L152-L156 PolarHBondContact O-N 2.98Å; R153-L156 PolarHBondContact O-N 2.87Å; L156-W159 PolarHBondContact O-N 2.8Å; L156-K160 PolarHBondContact O-N 2.79Å; L156-I215 HydrophobicContact CD1-CG2 3.6Å; L156-M219 HydrophobicContact CD2-CG 4.47Å
157M61.9Low61Low97 Ų9781.1 Ų81.148%0.47844%0.439SS..Hα-helixtrans-65.1-43.3175.9-73.8177.462.300111.3R153 D154 W159 K160 L161R153-M157 HydrophobicContact CG-CG 4.48Å; R153-M157 HydrophobicContact CG-SD 3.95Å; R153-M157 WeakPolarHBondContact O-CB 3.25Å; R153-M157 VanDerWaalsContact O-CG 3.28Å; R153-M157 WeakPolarHBondContact O-CG 3.49Å; R153-M157 PolarHBondContact O-N 3.1Å; D154-M157 PolarHBondContact O-N 3.09Å; M157-W159 VanDerWaalsContact C-N 3.31Å; M157-W159 PolarHBondContact O-N 2.83Å; M157-K160 WeakPolarHBondContact O-CB 3.45Å; M157-K160 PolarHBondContact O-N 2.99Å; M157-L161 WeakPolarHBondContact O-CG 3.4Å; M157-L161 PolarHBondContact O-N 3.22Å
158N60.9Low62.3Low98 Ų9879.9 Ų79.952%0.52443%0.433SS..Hα-helixtrans-62.2-38.4174.8-74.1-16.5000111.8D154 K155 L161 S162D154-N158 VanDerWaalsContact O-CB 3.27Å; D154-N158 WeakPolarHBondContact O-CB 3.37Å; D154-N158 PolarHBondContact O-N 3.45Å; D154-N158 PolarHBondContact O-ND2 2.87Å; K155-N158 PolarHBondContact O-N 3.09Å; N158-L161 WeakPolarHBondContact O-CB 3.24Å; N158-L161 PolarHBondContact O-N 3.21Å; N158-S162 PolarHBondContact O-N 3.15Å; N158-S162 PolarHBondContact O-OG 3.39Å
159W64Low63.6Low5 Ų579 Ų792%0.01944%0.435CS..Hα-helixtrans-66.8-40.7174.5-177.948.2000113.1K155 L156 M157 L161 S162 N167 T170 P208 L211 N212 I215K155-W159 WeakPolarHBondContact O-CB 3.18Å; K155-W159 PolarHBondContact O-N 2.78Å; L156-W159 PolarHBondContact O-N 2.8Å; M157-W159 VanDerWaalsContact C-N 3.31Å; M157-W159 PolarHBondContact O-N 2.83Å; W159-L161 PolarHBondContact O-N 2.73Å; W159-L161 VanDerWaalsContact O-N 3.13Å; W159-S162 CarbonylContact O-C 3.45Å; W159-S162 PolarHBondContact O-N 3.47Å; W159-S162 VanDerWaalsContact O-N 3.12Å; W159-N167 VanDerWaalsContact CB-ND2 3.32Å; W159-N167 WeakPolarHBondContact CB-ND2 3.16Å; W159-N167 VanDerWaalsContact CD1-ND2 3.34Å; W159-T170 HydrophobicContact CD2-CG2 4.11Å; W159-T170 HydrophobicContact CE3-CG2 4.2Å; W159-T170 VanDerWaalsContact CG-OG1 3.3Å; W159-T170 HydrophobicContact CH2-CG2 4.07Å; W159-T170 HydrophobicContact CZ2-CG2 4.06Å; W159-T170 HydrophobicContact CZ3-CG2 4.17Å; W159-P208 WeakPolarHBondContact CZ2-O 3.42Å; W159-L211 HydrophobicContact CH2-CG 4.23Å; W159-N212 HydrophobicContact CD2-CB 4.41Å; W159-N212 HydrophobicContact CE3-CB 4.05Å; W159-N212 HydrophobicContact CH2-CB 3.26Å; W159-N212 VanDerWaalsContact CH2-N 3.27Å; W159-N212 HydrophobicContact CZ2-CB 3.61Å; W159-N212 HydrophobicContact CZ3-CB 3.47Å; W159-N212 VanDerWaalsContact CZ3-CB 3.47Å; W159-N212 VanDerWaalsContact CZ3-CG 3.48Å; W159-N212 WeakPolarHBondContact CZ3-OD1 3.49Å; W159-I215 HydrophobicContact CH2-CD1 3.83Å; W159-I215 HydrophobicContact CZ3-CB 4.32Å; W159-I215 HydrophobicContact CZ3-CD1 3.74Å
160K59.4Low65Low132 Ų13275.2 Ų75.257%0.57441%0.412SS*.Hα-helixtrans-56.5-28.5172.9-169.4-179.4178.9-177.20111.8L156 M157L156-K160 PolarHBondContact O-N 2.79Å; M157-K160 WeakPolarHBondContact O-CB 3.45Å; M157-K160 PolarHBondContact O-N 2.99Å
161L54.4Low66.7Low141 Ų14168 Ų6874%0.73838%0.378SS*.Hα-helixtrans-85.7-36.5176-63.9165.9000112.9M157 N158 W159 S163M157-L161 WeakPolarHBondContact O-CG 3.4Å; M157-L161 PolarHBondContact O-N 3.22Å; N158-L161 WeakPolarHBondContact O-CB 3.24Å; N158-L161 PolarHBondContact O-N 3.21Å; W159-L161 PolarHBondContact O-N 2.73Å; W159-L161 VanDerWaalsContact O-N 3.13Å; L161-S163 PolarHBondContact O-N 3.46Å
162S55.4Low68.2Low47 Ų4768 Ų6833%0.32938%0.379SS..  trans-95.772.4-177.671.90000111.5N158 W159 S164N158-S162 PolarHBondContact O-N 3.15Å; N158-S162 PolarHBondContact O-OG 3.39Å; W159-S162 CarbonylContact O-C 3.45Å; W159-S162 PolarHBondContact O-N 3.47Å; W159-S162 VanDerWaalsContact O-N 3.12Å; S162-S164 PolarHBondContact O-N 2.91Å
163S56.8Low69.7Low72 Ų7267.6 Ų67.650%0.50338%0.375SS..  trans-77.520.9-175.555.50000115.2L161 K209L161-S163 PolarHBondContact O-N 3.46Å; S163-K209 WeakPolarHBondContact O-CE 3.28Å
164S67.2Low71.3Confident106 Ų10660.5 Ų60.574%0.74135%0.348SS*.SBendtrans-99.293.8173.861.50000111.5S162S162-S164 PolarHBondContact O-N 2.91Å
165G73.7Confident72.7Confident38 Ų3856.9 Ų56.939%0.39233%0.329SS..SBendtrans78.3-178.7172.200000116.1N167G165-N167 PolarHBondContact O-N 2.97Å
166M81.2Confident73.8Confident31 Ų3155.2 Ų55.215%0.15333%0.327CS..  trans-74.1112.7171.2-178.160.468.200109T170 E171 L202 P208 L211M166-T170 HydrophobicContact SD-CG2 4.02Å; M166-E171 HydrophobicContact CG-CB 4.12Å; M166-E171 HydrophobicContact SD-CB 4.45Å; M166-L202 HydrophobicContact CE-CB 3.99Å; M166-L202 HydrophobicContact CE-CD2 3.97Å; M166-L202 HydrophobicContact CE-CG 4.48Å; M166-L202 VanDerWaalsContact CE-O 3.3Å; M166-L202 WeakPolarHBondContact CE-O 3.37Å; M166-P208 HydrophobicContact CE-CB 4.36Å; M166-L211 HydrophobicContact CE-CD2 3.81Å
167N82.6Confident75.1Confident25 Ų2554.8 Ų54.813%0.13432%0.324CS..  trans-78.7149178.287.919.7000110.6W159 G165 A169 T170 E171W159-N167 VanDerWaalsContact CB-ND2 3.32Å; W159-N167 WeakPolarHBondContact CB-ND2 3.16Å; W159-N167 VanDerWaalsContact CD1-ND2 3.34Å; G165-N167 PolarHBondContact O-N 2.97Å; N167-A169 PolarHBondContact O-N 3.18Å; N167-A169 PolarHBondContact OD1-N 3.31Å; N167-A169 VanDerWaalsContact OD1-N 3.09Å; N167-T170 PolarHBondContact O-N 3.28Å; N167-T170 VanDerWaalsContact OD1-CB 3.23Å; N167-T170 WeakPolarHBondContact OD1-CB 3.16Å; N167-T170 PolarHBondContact OD1-N 3.08Å; N167-T170 PolarHBondContact OD1-OG1 2.95Å; N167-E171 PolarHBondContact O-N 3.03Å
168P83.3Confident76.4Confident101 Ų10151.6 Ų51.666%0.65631%0.307SS*.Hα-helixtrans-61-27.1-178.3-26.335000114.5S172P168-S172 WeakPolarHBondContact O-CB 3.33Å; P168-S172 PolarHBondContact O-N 3.39Å; P168-S172 PolarHBondContact O-OG 2.84Å
169A80.4Confident77.8Confident33 Ų3347 Ų4727%0.27328%0.282SS..Hα-helixtrans-74-41.9-178.400000112.6K155 N167 F173K155-A169 HydrophobicContact CB-CB 4.45Å; K155-A169 HydrophobicContact CD-CB 4.2Å; K155-A169 HydrophobicContact CG-CB 4.2Å; N167-A169 PolarHBondContact O-N 3.18Å; N167-A169 PolarHBondContact OD1-N 3.31Å; N167-A169 VanDerWaalsContact OD1-N 3.09Å; A169-F173 WeakPolarHBondContact O-CB 3.44Å; A169-F173 PolarHBondContact O-N 3.31Å
170T81.6Confident78.8Confident5 Ų546.9 Ų46.93%0.03128%0.282CS..Hα-helixtrans-68.9-42.8175.2-62.50000109.7W159 M166 N167 F173 L174W159-T170 HydrophobicContact CD2-CG2 4.11Å; W159-T170 HydrophobicContact CE3-CG2 4.2Å; W159-T170 VanDerWaalsContact CG-OG1 3.3Å; W159-T170 HydrophobicContact CH2-CG2 4.07Å; W159-T170 HydrophobicContact CZ2-CG2 4.06Å; W159-T170 HydrophobicContact CZ3-CG2 4.17Å; M166-T170 HydrophobicContact SD-CG2 4.02Å; N167-T170 PolarHBondContact O-N 3.28Å; N167-T170 VanDerWaalsContact OD1-CB 3.23Å; N167-T170 WeakPolarHBondContact OD1-CB 3.16Å; N167-T170 PolarHBondContact OD1-N 3.08Å; N167-T170 PolarHBondContact OD1-OG1 2.95Å; T170-F173 WeakPolarHBondContact O-CB 3.44Å; T170-F173 PolarHBondContact O-N 3.19Å; T170-L174 HydrophobicContact CG2-CD1 3.93Å; T170-L174 HydrophobicContact CG2-CG 4.41Å; T170-L174 WeakPolarHBondContact O-CB 3.44Å; T170-L174 VanDerWaalsContact O-CG 3.31Å; T170-L174 WeakPolarHBondContact O-CG 3.47Å; T170-L174 PolarHBondContact O-N 3.34Å
171E87.3Confident79.5Confident13 Ų1345.2 Ų45.26%0.06129%0.287CS..Hα-helixtrans-55.8-52.9171.5-179.4-173.5115.400111M166 N167 F173 L174 I175 R199 L202 R203M166-E171 HydrophobicContact CG-CB 4.12Å; M166-E171 HydrophobicContact SD-CB 4.45Å; N167-E171 PolarHBondContact O-N 3.03Å; E171-F173 VanDerWaalsContact C-N 3.28Å; E171-F173 PolarHBondContact O-N 2.95Å; E171-L174 PolarHBondContact O-N 2.88Å; E171-I175 HydrophobicContact CG-CD1 3.89Å; E171-I175 WeakPolarHBondContact O-CG1 3.42Å; E171-I175 PolarHBondContact O-N 2.98Å; E171-R199 HydrophobicContact CG-CG 4.37Å; E171-R199 WeakPolarHBondContact OE1-CG 3.37Å; E171-R199 IonicContact OE1-NE 2.64Å; E171-R199 PolarHBondContact OE1-NE 2.87Å; E171-L202 HydrophobicContact CG-CD1 4.3Å; E171-R203 IonicContact OE1-CZ 2.72Å; E171-R203 IonicContact OE1-NE 3.66Å; E171-R203 IonicContact OE1-NH2 3.65Å; E171-R203 PolarHBondContact OE1-NH2 2.92Å; E171-R203 IonicContact OE2-CZ 2.72Å; E171-R203 IonicContact OE2-NE 2.7Å; E171-R203 PolarHBondContact OE2-NE 2.91Å; E171-R203 IonicContact OE2-NH2 3.78Å; E171-R203 PolarHBondContact OE2-NH2 2.93Å; E171-R203 VanDerWaalsContact OE2-NH2 3.11Å
172S85.9Confident80Confident65 Ų6541.3 Ų41.346%0.45527%0.269SS..Hα-helixtrans-59.6-40.5178.7-59.40000111.9P168 V176P168-S172 WeakPolarHBondContact O-CB 3.33Å; P168-S172 PolarHBondContact O-N 3.39Å; P168-S172 PolarHBondContact O-OG 2.84Å; S172-V176 WeakPolarHBondContact O-CG2 3.37Å; S172-V176 PolarHBondContact O-N 3.05Å
173F86.1Confident79.9Confident38 Ų3844.2 Ų44.217%0.16729%0.285CS..Hα-helixtrans-61-49175.4162.9-105.7000112L152 A169 T170 E171 I175 V176 H177 M219L152-F173 HydrophobicContact CD1-CD2 3.62Å; L152-F173 HydrophobicContact CD1-CE2 3.81Å; L152-F173 HydrophobicContact CD2-CD2 3.85Å; L152-F173 HydrophobicContact CD2-CE2 3.63Å; L152-F173 HydrophobicContact CD2-CZ 4.27Å; L152-F173 HydrophobicContact CG-CD2 3.92Å; L152-F173 HydrophobicContact CG-CE2 4.15Å; A169-F173 WeakPolarHBondContact O-CB 3.44Å; A169-F173 PolarHBondContact O-N 3.31Å; T170-F173 WeakPolarHBondContact O-CB 3.44Å; T170-F173 PolarHBondContact O-N 3.19Å; E171-F173 VanDerWaalsContact C-N 3.28Å; E171-F173 PolarHBondContact O-N 2.95Å; F173-I175 VanDerWaalsContact C-N 3.32Å; F173-I175 PolarHBondContact O-N 3.11Å; F173-V176 PolarHBondContact O-N 2.69Å; F173-H177 HydrophobicContact CE2-CB 4.5Å; F173-H177 HydrophobicContact CZ-CB 4.45Å; F173-H177 VanDerWaalsContact O-CB 3.24Å; F173-H177 WeakPolarHBondContact O-CB 3.38Å; F173-H177 PolarHBondContact O-N 2.97Å; F173-M219 HydrophobicContact CE1-CE 4.33Å; F173-M219 HydrophobicContact CZ-CE 3.92Å
174L90.1Very high79.6Confident1 Ų149 Ų491%0.00530%0.299CS..Hα-helixtrans-65.3-36.9-178.7-70.6168.1000111.7L42 T170 E171 H177 R178 F198 L202 L211 I215L42-L174 HydrophobicContact CB-CD2 3.8Å; T170-L174 HydrophobicContact CG2-CD1 3.93Å; T170-L174 HydrophobicContact CG2-CG 4.41Å; T170-L174 WeakPolarHBondContact O-CB 3.44Å; T170-L174 VanDerWaalsContact O-CG 3.31Å; T170-L174 WeakPolarHBondContact O-CG 3.47Å; T170-L174 PolarHBondContact O-N 3.34Å; E171-L174 PolarHBondContact O-N 2.88Å; L174-H177 WeakPolarHBondContact O-CB 3.32Å; L174-H177 PolarHBondContact O-N 3.45Å; L174-R178 WeakPolarHBondContact O-CB 3.29Å; L174-R178 PolarHBondContact O-N 2.95Å; L174-F198 HydrophobicContact CB-CE1 4.07Å; L174-F198 HydrophobicContact CB-CZ 4.3Å; L174-L202 HydrophobicContact CB-CD1 4Å; L174-L202 HydrophobicContact CD1-CD1 4.04Å; L174-L202 HydrophobicContact CD1-CD2 3.85Å; L174-L211 HydrophobicContact CD1-CD2 3.78Å; L174-I215 HydrophobicContact CD2-CD1 4.1Å
175I90.2Very high78.8Confident10 Ų1045.2 Ų45.25%0.05127%0.272CS..Hα-helixtrans-62.1-51.2174.4-69.5168.4000110.5E171 F173 H177 R178 F179 V182 V195 F198 R199E171-I175 HydrophobicContact CG-CD1 3.89Å; E171-I175 WeakPolarHBondContact O-CG1 3.42Å; E171-I175 PolarHBondContact O-N 2.98Å; F173-I175 VanDerWaalsContact C-N 3.32Å; F173-I175 PolarHBondContact O-N 3.11Å; I175-H177 VanDerWaalsContact C-N 3.28Å; I175-H177 PolarHBondContact O-N 3.09Å; I175-R178 PolarHBondContact O-N 2.87Å; I175-F179 HydrophobicContact CG2-CD2 4.43Å; I175-F179 WeakPolarHBondContact O-CB 3.48Å; I175-F179 PolarHBondContact O-N 2.88Å; I175-V182 HydrophobicContact CG2-CG2 4.25Å; I175-V195 HydrophobicContact CG2-CG1 3.91Å; I175-F198 HydrophobicContact CG1-CD1 4.03Å; I175-F198 HydrophobicContact CG1-CE1 4.31Å; I175-R199 HydrophobicContact CD1-CB 4.3Å
176V87.2Confident78.1Confident69 Ų6952.5 Ų52.542%0.41830%0.296SS..Hα-helixtrans-64.9-35.5178.3174.10000111.4S172 F173 R178 G180 S244S172-V176 WeakPolarHBondContact O-CG2 3.37Å; S172-V176 PolarHBondContact O-N 3.05Å; F173-V176 PolarHBondContact O-N 2.69Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 3.48Å; V176-G180 WeakPolarHBondContact CA-O 2.97Å; V176-G180 VanDerWaalsContact O-CA 3.28Å; V176-G180 WeakPolarHBondContact O-CA 3.42Å; V176-G180 PolarHBondContact O-N 3.47Å; V176-S244 PolarHBondContact O-OG 3.32Å
177H87.5Confident77.2Confident23 Ų2352.5 Ų52.511%0.10630%0.299CS..Hα-helixtrans-58.8-45.9176.1-17990.2000111.9D41 F173 L174 I175 H245D41-H177 IonicContact OD1-NE2 2.77Å; D41-H177 IonicContact OD2-CD2 3.7Å; D41-H177 IonicContact OD2-NE2 3.79Å; F173-H177 HydrophobicContact CE2-CB 4.5Å; F173-H177 HydrophobicContact CZ-CB 4.45Å; F173-H177 VanDerWaalsContact O-CB 3.24Å; F173-H177 WeakPolarHBondContact O-CB 3.38Å; F173-H177 PolarHBondContact O-N 2.97Å; L174-H177 WeakPolarHBondContact O-CB 3.32Å; L174-H177 PolarHBondContact O-N 3.45Å; I175-H177 VanDerWaalsContact C-N 3.28Å; I175-H177 PolarHBondContact O-N 3.09Å; H177-H245 AromaticContact CD2-NE2 3.96Å; H177-H245 AromaticContact CE1-CE1 3.59Å; H177-H245 AromaticContact CE1-NE2 3.21Å; H177-H245 PolarHBondContact CE1-NE2 2.98Å; H177-H245 AromaticContact CG-NE2 3.72Å; H177-H245 AromaticContact ND1-CE1 3.51Å; H177-H245 AromaticContact ND1-NE2 3.24Å; H177-H245 PolarHBondContact ND1-NE2 3.3Å; H177-H245 AromaticContact NE2-NE2 3.65Å; H177-H245 PolarHBondContact O-NE2 3.41Å
178R90.2Very high76.7Confident31 Ų3156.3 Ų56.312%0.11732%0.315CS..Hα-helixtrans-86.5-37.2-174-177170.7179.5167.71.9114.1C44 L174 I175 V176 F198 N280C44-R178 PolarHBondContact SG-NH1 3.4Å; L174-R178 WeakPolarHBondContact O-CB 3.29Å; L174-R178 PolarHBondContact O-N 2.95Å; I175-R178 PolarHBondContact O-N 2.87Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 3.48Å; R178-F198 HydrophobicContact CB-CE1 4.45Å; R178-F198 VanDerWaalsContact NH1-CD2 3.27Å; R178-F198 VanDerWaalsContact NH1-CE2 3.33Å; R178-N280 PolarHBondContact O-ND2 2.96Å
179F89.6Confident76.6Confident2 Ų256.4 Ų56.41%0.00931%0.314CS..Hα-helixtrans-116.83.1-171.2-61-75.3000114.1I175 V182 L191 A194 V195 F198 S279 N280I175-F179 HydrophobicContact CG2-CD2 4.43Å; I175-F179 WeakPolarHBondContact O-CB 3.48Å; I175-F179 PolarHBondContact O-N 2.88Å; F179-V182 HydrophobicContact CB-CG2 4.38Å; F179-L191 HydrophobicContact CB-CD1 4.35Å; F179-L191 HydrophobicContact CD1-CD1 3.55Å; F179-L191 HydrophobicContact CE1-CD1 4.25Å; F179-L191 HydrophobicContact CG-CD1 4.31Å; F179-A194 HydrophobicContact CE1-CB 3.96Å; F179-A194 HydrophobicContact CZ-CB 4.2Å; F179-V195 HydrophobicContact CB-CG2 3.95Å; F179-V195 HydrophobicContact CD1-CG2 4.03Å; F179-V195 HydrophobicContact CD2-CG2 3.69Å; F179-V195 HydrophobicContact CE1-CG2 4.43Å; F179-V195 HydrophobicContact CE2-CG2 4.12Å; F179-V195 HydrophobicContact CG-CG2 3.63Å; F179-V195 HydrophobicContact CZ-CG2 4.46Å; F179-F198 HydrophobicContact CD2-CD1 4.34Å; F179-F198 HydrophobicContact CE2-CB 3.68Å; F179-F198 AromaticContact CE2-CD1 3.64Å; F179-F198 HydrophobicContact CE2-CD1 3.64Å; F179-F198 HydrophobicContact CE2-CE1 4.4Å; F179-F198 AromaticContact CE2-CG 3.74Å; F179-F198 HydrophobicContact CE2-CG 3.74Å; F179-F198 HydrophobicContact CZ-CB 4.01Å; F179-F198 HydrophobicContact CZ-CG 4.34Å; F179-S279 WeakPolarHBondContact O-CB 3.16Å; F179-S279 PolarHBondContact O-OG 3.22Å; F179-N280 HydrophobicContact CD1-CB 3.84Å; F179-N280 HydrophobicContact CE1-CB 4.17Å
180G84.4Confident76.6Confident2 Ų260.4 Ų60.42%0.02133%0.327CS..  trans68.4-164.2-176.200000113.3V176 V182 S244V176-G180 WeakPolarHBondContact CA-O 2.97Å; V176-G180 VanDerWaalsContact O-CA 3.28Å; V176-G180 WeakPolarHBondContact O-CA 3.42Å; V176-G180 PolarHBondContact O-N 3.47Å; G180-V182 PolarHBondContact O-N 3.29Å; G180-S244 WeakPolarHBondContact CA-OG 3.46Å
181S75.1Confident76.7Confident96 Ų9660.3 Ų60.367%0.67133%0.326SS*.  trans-69.1116.4166.8-64.80000108.2V183S181-V183 PolarHBondContact O-N 3.5Å
182V64.4Low76.6Confident60 Ų6066.6 Ų66.636%0.36435%0.349SS..SBendtrans-75.937.2-178.5-165.40000111.6I175 F179 G180 V195I175-V182 HydrophobicContact CG2-CG2 4.25Å; F179-V182 HydrophobicContact CB-CG2 4.38Å; G180-V182 PolarHBondContact O-N 3.29Å; V182-V195 HydrophobicContact CG1-CG2 4.23Å; V182-V195 HydrophobicContact CG2-CG2 4.08Å
183V52.3Low76.8Confident108 Ų10868.1 Ų68.166%0.65535%0.353SS*.SBendtrans-128.8115.7-178.8-166.60000105.2S181S181-V183 PolarHBondContact O-N 3.5Å
184E51Low77Confident172 Ų17267.2 Ų67.280%0.80435%0.352SS*.  trans92.265.4175.5-54.3164.6-163.700117.8
185T51.7Low77Confident27 Ų2767.6 Ų67.617%0.16636%0.355CS..  trans-129.8149.4157.967.60000112.4S187 L191 L242T185-S187 WeakPolarHBondContact CB-OG 3.47Å; T185-S187 PolarHBondContact O-N 2.69Å; T185-S187 PolarHBondContact OG1-OG 3.37Å; T185-L191 HydrophobicContact CG2-CD2 4.05Å; T185-L242 HydrophobicContact CG2-CD1 3.71Å
186E57.9Low77.1Confident191 Ų19170.8 Ų70.889%0.89337%0.369SS*.THydrogen-bonded Turntrans-68.3-20.7174.7-64.1-175.3162.400112.6E188E186-E188 VanDerWaalsContact C-N 3.27Å; E186-E188 PolarHBondContact O-N 3.19Å
187S62.9Low77.4Confident31 Ų3170.9 Ų70.922%0.21737%0.373CS..THydrogen-bonded Turntrans-86.426.3-18057.10000113.6T185 V189 E190 L191 E284T185-S187 WeakPolarHBondContact CB-OG 3.47Å; T185-S187 PolarHBondContact O-N 2.69Å; T185-S187 PolarHBondContact OG1-OG 3.37Å; S187-V189 VanDerWaalsContact C-N 3.25Å; S187-V189 PolarHBondContact O-N 3.39Å; S187-E190 PolarHBondContact O-N 2.87Å; S187-E190 VanDerWaalsContact O-N 3.14Å; S187-L191 PolarHBondContact O-N 3.48Å; S187-E284 PolarHBondContact OG-OE1 2.69Å
188E71.5Confident77.7Confident104 Ų10470.1 Ų70.149%0.48637%0.369SS..Hα-helixtrans-51.3-39.2-160.4-156.5-160.9136.600113.8E186 R192E186-E188 VanDerWaalsContact C-N 3.27Å; E186-E188 PolarHBondContact O-N 3.19Å; E188-R192 HydrophobicContact CG-CG 4.35Å; E188-R192 WeakPolarHBondContact O-CB 3.41Å; E188-R192 WeakPolarHBondContact O-CD 3.47Å; E188-R192 WeakPolarHBondContact O-CG 3.5Å; E188-R192 PolarHBondContact O-N 3.36Å; E188-R192 VanDerWaalsContact OE1-CD 3.27Å; E188-R192 WeakPolarHBondContact OE1-CD 3.42Å; E188-R192 IonicContact OE1-CZ 3.94Å; E188-R192 IonicContact OE1-NE 2.81Å; E188-R192 IonicContact OE1-NH1 2.8Å; E188-R192 PolarHBondContact OE1-NH1 3.1Å
189V80.5Confident77.8Confident103 Ų10371.7 Ų71.762%0.62438%0.375SS*.Hα-helixtrans-71.6-46.8-175.6-179.50000112.2S187 R192 N193S187-V189 VanDerWaalsContact C-N 3.25Å; S187-V189 PolarHBondContact O-N 3.39Å; V189-R192 PolarHBondContact O-N 2.88Å; V189-N193 WeakPolarHBondContact O-CB 3.44Å; V189-N193 PolarHBondContact O-N 3.36Å; V189-N193 PolarHBondContact O-ND2 3.33Å
190E81.1Confident78Confident117 Ų11775 Ų7555%0.54739%0.39SS..Hα-helixtrans-66.4-45.6-178.2-68.6176.417400110.6S187 R192 N193 A194S187-E190 PolarHBondContact O-N 2.87Å; S187-E190 VanDerWaalsContact O-N 3.14Å; E190-R192 PolarHBondContact O-N 3.05Å; E190-N193 PolarHBondContact O-N 3.16Å; E190-A194 WeakPolarHBondContact O-CB 3.48Å; E190-A194 PolarHBondContact O-N 3.42Å
191L83.7Confident78.4Confident4 Ų478.1 Ų78.12%0.02141%0.407CS..Hα-helixtrans-63.1-43.2176.5-176.861.5000111.5F179 T185 S187 N193 A194 V195 E284F179-L191 HydrophobicContact CB-CD1 4.35Å; F179-L191 HydrophobicContact CD1-CD1 3.55Å; F179-L191 HydrophobicContact CE1-CD1 4.25Å; F179-L191 HydrophobicContact CG-CD1 4.31Å; T185-L191 HydrophobicContact CG2-CD2 4.05Å; S187-L191 PolarHBondContact O-N 3.48Å; L191-N193 PolarHBondContact O-N 2.64Å; L191-A194 PolarHBondContact O-N 3.11Å; L191-V195 HydrophobicContact CD1-CG2 4.44Å; L191-V195 WeakPolarHBondContact O-CB 3.46Å; L191-V195 VanDerWaalsContact O-CG2 3.25Å; L191-V195 WeakPolarHBondContact O-CG2 3.36Å; L191-V195 PolarHBondContact O-N 3.05Å; L191-E284 HydrophobicContact CB-CG 4.47Å; L191-E284 HydrophobicContact CD1-CG 4.29Å
192R85.9Confident79.2Confident144 Ų14473.6 Ų73.654%0.54338%0.375SS..Hα-helixtrans-63.1-41176.9-77.7173.765.3178.7-1.2112.5E188 V189 E190 V195 E196E188-R192 HydrophobicContact CG-CG 4.35Å; E188-R192 WeakPolarHBondContact O-CB 3.41Å; E188-R192 WeakPolarHBondContact O-CD 3.47Å; E188-R192 WeakPolarHBondContact O-CG 3.5Å; E188-R192 PolarHBondContact O-N 3.36Å; E188-R192 VanDerWaalsContact OE1-CD 3.27Å; E188-R192 WeakPolarHBondContact OE1-CD 3.42Å; E188-R192 IonicContact OE1-CZ 3.94Å; E188-R192 IonicContact OE1-NE 2.81Å; E188-R192 IonicContact OE1-NH1 2.8Å; E188-R192 PolarHBondContact OE1-NH1 3.1Å; V189-R192 PolarHBondContact O-N 2.88Å; E190-R192 PolarHBondContact O-N 3.05Å; R192-V195 PolarHBondContact O-N 2.89Å; R192-E196 PolarHBondContact O-N 2.87Å
193N89.3Confident80.5Confident98 Ų9876.5 Ų76.552%0.52438%0.38SS..Hα-helixtrans-63.3-44.3175.5-71-19000110.8V189 E190 L191 V195 E196 S197V189-N193 WeakPolarHBondContact O-CB 3.44Å; V189-N193 PolarHBondContact O-N 3.36Å; V189-N193 PolarHBondContact O-ND2 3.33Å; E190-N193 PolarHBondContact O-N 3.16Å; L191-N193 PolarHBondContact O-N 2.64Å; N193-V195 PolarHBondContact O-N 3.07Å; N193-E196 PolarHBondContact O-N 2.98Å; N193-S197 WeakPolarHBondContact O-CB 3.33Å; N193-S197 PolarHBondContact O-N 2.86Å; N193-S197 PolarHBondContact O-OG 3.38Å; N193-S197 VanDerWaalsContact O-OG 3.11Å
194A89.7Confident82.3Confident19 Ų1978 Ų7816%0.15738%0.379CS..Hα-helixtrans-62.9-40.6176.600000112.7F179 E190 L191 F198 T283F179-A194 HydrophobicContact CE1-CB 3.96Å; F179-A194 HydrophobicContact CZ-CB 4.2Å; E190-A194 WeakPolarHBondContact O-CB 3.48Å; E190-A194 PolarHBondContact O-N 3.42Å; L191-A194 PolarHBondContact O-N 3.11Å; A194-F198 VanDerWaalsContact O-CB 3.28Å; A194-F198 WeakPolarHBondContact O-CB 3.44Å; A194-F198 PolarHBondContact O-N 3.07Å; A194-T283 HydrophobicContact CB-CG2 3.51Å
195V91.5Very high84.3Confident9 Ų970.5 Ų70.56%0.05535%0.346CS..Hα-helixtrans-63.4-43.3175.31690000111.2I175 F179 V182 L191 R192 N193 R199I175-V195 HydrophobicContact CG2-CG1 3.91Å; F179-V195 HydrophobicContact CB-CG2 3.95Å; F179-V195 HydrophobicContact CD1-CG2 4.03Å; F179-V195 HydrophobicContact CD2-CG2 3.69Å; F179-V195 HydrophobicContact CE1-CG2 4.43Å; F179-V195 HydrophobicContact CE2-CG2 4.12Å; F179-V195 HydrophobicContact CG-CG2 3.63Å; F179-V195 HydrophobicContact CZ-CG2 4.46Å; V182-V195 HydrophobicContact CG1-CG2 4.23Å; V182-V195 HydrophobicContact CG2-CG2 4.08Å; L191-V195 HydrophobicContact CD1-CG2 4.44Å; L191-V195 WeakPolarHBondContact O-CB 3.46Å; L191-V195 VanDerWaalsContact O-CG2 3.25Å; L191-V195 WeakPolarHBondContact O-CG2 3.36Å; L191-V195 PolarHBondContact O-N 3.05Å; R192-V195 PolarHBondContact O-N 2.89Å; N193-V195 PolarHBondContact O-N 3.07Å; V195-R199 WeakPolarHBondContact O-CB 3.34Å; V195-R199 PolarHBondContact O-N 3.04Å
196E92.2Very high86.3Confident77 Ų7769.5 Ų69.536%0.3634%0.34SS..Hα-helixtrans-67.4-45.6177.9-172.457.5-14600111.3R192 N193 F198 R199 Q200R192-E196 PolarHBondContact O-N 2.87Å; N193-E196 PolarHBondContact O-N 2.98Å; E196-F198 VanDerWaalsContact C-N 3.33Å; E196-F198 PolarHBondContact O-N 3.17Å; E196-R199 WeakPolarHBondContact O-CB 3.44Å; E196-R199 PolarHBondContact O-N 3.13Å; E196-R199 VanDerWaalsContact O-N 3.16Å; E196-R199 IonicContact OE2-CZ 3.89Å; E196-R199 IonicContact OE2-NH1 3.78Å; E196-R199 PolarHBondContact OE2-NH1 3.22Å; E196-Q200 WeakPolarHBondContact O-CG 3.43Å; E196-Q200 PolarHBondContact O-N 2.84Å; E196-Q200 PolarHBondContact OE1-NE2 2.83Å
197S92Very high88Confident70 Ų7061.7 Ų61.749%0.4930%0.304SS..Hα-helixtrans-57.7-45174.7-66.70000111.8N193 R199 Q200 N201N193-S197 WeakPolarHBondContact O-CB 3.33Å; N193-S197 PolarHBondContact O-N 2.86Å; N193-S197 PolarHBondContact O-OG 3.38Å; N193-S197 VanDerWaalsContact O-OG 3.11Å; S197-R199 PolarHBondContact O-N 2.96Å; S197-Q200 PolarHBondContact O-N 2.88Å; S197-N201 VanDerWaalsContact O-CG 3.3Å; S197-N201 PolarHBondContact O-N 3.08Å; S197-N201 PolarHBondContact O-OD1 3.11Å
198F93.9Very high89.4Confident8 Ų861.5 Ų61.54%0.03530%0.302CS..Hα-helixtrans-62.1-42.9176-177.2-114.4000112.1G43 L174 I175 R178 F179 A194 E196 Q200 N201 L202G43-F198 VanDerWaalsContact O-CE2 3.29Å; G43-F198 WeakPolarHBondContact O-CE2 3.16Å; L174-F198 HydrophobicContact CB-CE1 4.07Å; L174-F198 HydrophobicContact CB-CZ 4.3Å; I175-F198 HydrophobicContact CG1-CD1 4.03Å; I175-F198 HydrophobicContact CG1-CE1 4.31Å; R178-F198 HydrophobicContact CB-CE1 4.45Å; R178-F198 VanDerWaalsContact NH1-CD2 3.27Å; R178-F198 VanDerWaalsContact NH1-CE2 3.33Å; F179-F198 HydrophobicContact CD2-CD1 4.34Å; F179-F198 HydrophobicContact CE2-CB 3.68Å; F179-F198 AromaticContact CE2-CD1 3.64Å; F179-F198 HydrophobicContact CE2-CD1 3.64Å; F179-F198 HydrophobicContact CE2-CE1 4.4Å; F179-F198 AromaticContact CE2-CG 3.74Å; F179-F198 HydrophobicContact CE2-CG 3.74Å; F179-F198 HydrophobicContact CZ-CB 4.01Å; F179-F198 HydrophobicContact CZ-CG 4.34Å; A194-F198 VanDerWaalsContact O-CB 3.28Å; A194-F198 WeakPolarHBondContact O-CB 3.44Å; A194-F198 PolarHBondContact O-N 3.07Å; E196-F198 VanDerWaalsContact C-N 3.33Å; E196-F198 PolarHBondContact O-N 3.17Å; F198-Q200 VanDerWaalsContact C-N 3.35Å; F198-Q200 PolarHBondContact O-N 2.87Å; F198-N201 PolarHBondContact O-N 2.85Å; F198-L202 HydrophobicContact CD1-CD1 3.94Å; F198-L202 HydrophobicContact CD1-CG 4.41Å; F198-L202 HydrophobicContact CE1-CD1 3.55Å; F198-L202 HydrophobicContact CE1-CG 4.14Å; F198-L202 HydrophobicContact CE2-CD2 4.4Å; F198-L202 HydrophobicContact CE2-CG 4.37Å; F198-L202 HydrophobicContact CZ-CD1 3.94Å; F198-L202 HydrophobicContact CZ-CD2 4.14Å; F198-L202 HydrophobicContact CZ-CG 4.12Å; F198-L202 WeakPolarHBondContact O-CG 3.27Å; F198-L202 PolarHBondContact O-N 3.35Å
199R92.8Very high90.4Very high63 Ų6360 Ų6024%0.23829%0.293CS..Hα-helixtrans-59.6-44175.1178.3-177.2-68.91224111.9E171 I175 V195 E196 S197 L202 R203E171-R199 HydrophobicContact CG-CG 4.37Å; E171-R199 WeakPolarHBondContact OE1-CG 3.37Å; E171-R199 IonicContact OE1-NE 2.64Å; E171-R199 PolarHBondContact OE1-NE 2.87Å; I175-R199 HydrophobicContact CD1-CB 4.3Å; V195-R199 WeakPolarHBondContact O-CB 3.34Å; V195-R199 PolarHBondContact O-N 3.04Å; E196-R199 WeakPolarHBondContact O-CB 3.44Å; E196-R199 PolarHBondContact O-N 3.13Å; E196-R199 VanDerWaalsContact O-N 3.16Å; E196-R199 IonicContact OE2-CZ 3.89Å; E196-R199 IonicContact OE2-NH1 3.78Å; E196-R199 PolarHBondContact OE2-NH1 3.22Å; S197-R199 PolarHBondContact O-N 2.96Å; R199-L202 PolarHBondContact O-N 3.39Å; R199-R203 WeakPolarHBondContact O-CG 3.47Å; R199-R203 PolarHBondContact O-N 3.14Å
200Q93.4Very high91.1Very high71 Ų7155 Ų5533%0.33226%0.264SS..Hα-helixtrans-63.9-43.4177.5-66.4-59.2-34.500111.4E196 S197 F198 L202 R203 H204E196-Q200 WeakPolarHBondContact O-CG 3.43Å; E196-Q200 PolarHBondContact O-N 2.84Å; E196-Q200 PolarHBondContact OE1-NE2 2.83Å; S197-Q200 PolarHBondContact O-N 2.88Å; F198-Q200 VanDerWaalsContact C-N 3.35Å; F198-Q200 PolarHBondContact O-N 2.87Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; Q200-L202 PolarHBondContact O-N 3.38Å; Q200-R203 PolarHBondContact O-N 3.48Å; Q200-R203 VanDerWaalsContact O-N 3.12Å; Q200-H204 WeakPolarHBondContact O-CB 3.4Å; Q200-H204 PolarHBondContact O-CD2 3.45Å; Q200-H204 PolarHBondContact O-N 3.13Å; Q200-H204 PolarHBondContact OE1-CD2 2.92Å; Q200-H204 VanDerWaalsContact OE1-CD2 3.25Å; Q200-H204 PolarHBondContact OE1-NE2 3.17Å
201N92.7Very high91.8Very high68 Ų6849.5 Ų49.536%0.36424%0.238SC..Hα-helixtrans-62.2-41.4177.2-69.7-5.2000112S197 F198 R203 H204 S205 I206S197-N201 VanDerWaalsContact O-CG 3.3Å; S197-N201 PolarHBondContact O-N 3.08Å; S197-N201 PolarHBondContact O-OD1 3.11Å; F198-N201 PolarHBondContact O-N 2.85Å; N201-R203 VanDerWaalsContact C-N 3.26Å; N201-R203 PolarHBondContact O-N 2.69Å; N201-H204 PolarHBondContact O-N 2.87Å; N201-S205 WeakPolarHBondContact O-CA 3.34Å; N201-S205 WeakPolarHBondContact O-CB 3.37Å; N201-S205 PolarHBondContact O-N 2.87Å; N201-I206 PolarHBondContact O-N 3.27Å
202L92.7Very high92.1Very high1 Ų150.5 Ų50.51%0.00524%0.243CC..Hα-helixtrans-60.6-33174.7-75.5-177.9000113.3M166 E171 L174 F198 R199 Q200 L211M166-L202 HydrophobicContact CE-CB 3.99Å; M166-L202 HydrophobicContact CE-CD2 3.97Å; M166-L202 HydrophobicContact CE-CG 4.48Å; M166-L202 VanDerWaalsContact CE-O 3.3Å; M166-L202 WeakPolarHBondContact CE-O 3.37Å; E171-L202 HydrophobicContact CG-CD1 4.3Å; L174-L202 HydrophobicContact CB-CD1 4Å; L174-L202 HydrophobicContact CD1-CD1 4.04Å; L174-L202 HydrophobicContact CD1-CD2 3.85Å; F198-L202 HydrophobicContact CD1-CD1 3.94Å; F198-L202 HydrophobicContact CD1-CG 4.41Å; F198-L202 HydrophobicContact CE1-CD1 3.55Å; F198-L202 HydrophobicContact CE1-CG 4.14Å; F198-L202 HydrophobicContact CE2-CD2 4.4Å; F198-L202 HydrophobicContact CE2-CG 4.37Å; F198-L202 HydrophobicContact CZ-CD1 3.94Å; F198-L202 HydrophobicContact CZ-CD2 4.14Å; F198-L202 HydrophobicContact CZ-CG 4.12Å; F198-L202 WeakPolarHBondContact O-CG 3.27Å; F198-L202 PolarHBondContact O-N 3.35Å; R199-L202 PolarHBondContact O-N 3.39Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; Q200-L202 PolarHBondContact O-N 3.38Å; L202-L211 HydrophobicContact CD2-CD2 4.23Å
203R91.3Very high92.5Very high121 Ų12145.8 Ų45.846%0.45723%0.227SC..Hα-helixtrans-85.5-33-178.2-71.4178.2-177.71764113.7E171 R199 Q200 N201E171-R203 IonicContact OE1-CZ 2.72Å; E171-R203 IonicContact OE1-NE 3.66Å; E171-R203 IonicContact OE1-NH2 3.65Å; E171-R203 PolarHBondContact OE1-NH2 2.92Å; E171-R203 IonicContact OE2-CZ 2.72Å; E171-R203 IonicContact OE2-NE 2.7Å; E171-R203 PolarHBondContact OE2-NE 2.91Å; E171-R203 IonicContact OE2-NH2 3.78Å; E171-R203 PolarHBondContact OE2-NH2 2.93Å; E171-R203 VanDerWaalsContact OE2-NH2 3.11Å; R199-R203 WeakPolarHBondContact O-CG 3.47Å; R199-R203 PolarHBondContact O-N 3.14Å; Q200-R203 PolarHBondContact O-N 3.48Å; Q200-R203 VanDerWaalsContact O-N 3.12Å; N201-R203 VanDerWaalsContact C-N 3.26Å; N201-R203 PolarHBondContact O-N 2.69Å
204H91Very high92.8Very high139 Ų13941.1 Ų41.164%0.64420%0.202SC*.Hα-helixtrans-122.9-20.2-164.2-60.6-53.8000114.9Q200 N201Q200-H204 WeakPolarHBondContact O-CB 3.4Å; Q200-H204 PolarHBondContact O-CD2 3.45Å; Q200-H204 PolarHBondContact O-N 3.13Å; Q200-H204 PolarHBondContact OE1-CD2 2.92Å; Q200-H204 VanDerWaalsContact OE1-CD2 3.25Å; Q200-H204 PolarHBondContact OE1-NE2 3.17Å; N201-H204 PolarHBondContact O-N 2.87Å
205S93.2Very high92.9Very high15 Ų1540.2 Ų40.211%0.10519%0.194CC..THydrogen-bonded Turntrans-111.1-47.8-178-60.90000112.3D77 G78 N201D77-S205 VanDerWaalsContact CG-CB 3.43Å; D77-S205 WeakPolarHBondContact OD1-CB 3.4Å; D77-S205 PolarHBondContact OD2-OG 3.47Å; G78-S205 PolarHBondContact N-O 2.84Å; N201-S205 WeakPolarHBondContact O-CA 3.34Å; N201-S205 WeakPolarHBondContact O-CB 3.37Å; N201-S205 PolarHBondContact O-N 2.87Å
206I93.4Very high92.8Very high7 Ų741.3 Ų41.34%0.03620%0.201CC..SBendtrans-81.3127.9-175.4-58.2-63.5000110.7Q75 N201 P208 L211Q75-I206 WeakPolarHBondContact O-CD1 3.32Å; N201-I206 PolarHBondContact O-N 3.27Å; I206-P208 VanDerWaalsContact O-CD 3.3Å; I206-P208 WeakPolarHBondContact O-CD 3.29Å; I206-L211 HydrophobicContact CG2-CB 3.99Å; I206-L211 HydrophobicContact CG2-CD2 4.01Å; I206-L211 HydrophobicContact CG2-CG 4.48Å
207N93.9Very high92.9Very high27 Ų2738.1 Ų38.114%0.14419%0.187CC..  trans-70.2115.5174-174.1-51.4000110.7E81 K209 N210 L211E81-N207 VanDerWaalsContact CA-ND2 3.32Å; E81-N207 WeakPolarHBondContact CA-ND2 3.4Å; E81-N207 PolarHBondContact N-ND2 3.01Å; N207-K209 VanDerWaalsContact C-N 3.3Å; N207-K209 PolarHBondContact O-N 3.39Å; N207-K209 PolarHBondContact OD1-N 3.38Å; N207-N210 HydrophobicContact CB-CB 4.01Å; N207-N210 PolarHBondContact O-N 3.24Å; N207-N210 PolarHBondContact OD1-N 3.21Å; N207-L211 WeakPolarHBondContact O-CB 3.46Å; N207-L211 PolarHBondContact O-N 2.95Å
208P92.6Very high92.9Very high27 Ų2735 Ų3518%0.17516%0.164CC..Hα-helixtrans-65.9-30.5-173.125-33.8000113W159 M166 I206 N212W159-P208 WeakPolarHBondContact CZ2-O 3.42Å; M166-P208 HydrophobicContact CE-CB 4.36Å; I206-P208 VanDerWaalsContact O-CD 3.3Å; I206-P208 WeakPolarHBondContact O-CD 3.29Å; P208-N212 WeakPolarHBondContact O-CB 3.35Å; P208-N212 PolarHBondContact O-N 3.22Å
209K92.2Very high92.7Very high71 Ų7135.8 Ų35.831%0.30917%0.169SC..Hα-helixtrans-74.7-38.8178.7-70.4173.2178.2174.60111.5E81 S163 N207 N212 K213E81-K209 HydrophobicContact CG-CB 4.4Å; E81-K209 HydrophobicContact CG-CD 4.02Å; E81-K209 WeakPolarHBondContact OE1-CD 3.44Å; E81-K209 WeakPolarHBondContact OE1-CE 3.45Å; E81-K209 IonicContact OE1-NZ 3.63Å; E81-K209 PolarHBondContact OE1-NZ 3.34Å; E81-K209 WeakPolarHBondContact OE2-CD 3.3Å; E81-K209 WeakPolarHBondContact OE2-CE 3.41Å; E81-K209 IonicContact OE2-NZ 3.21Å; E81-K209 PolarHBondContact OE2-NZ 3.07Å; S163-K209 WeakPolarHBondContact O-CE 3.28Å; N207-K209 VanDerWaalsContact C-N 3.3Å; N207-K209 PolarHBondContact O-N 3.39Å; N207-K209 PolarHBondContact OD1-N 3.38Å; K209-N212 WeakPolarHBondContact O-CB 3.36Å; K209-N212 PolarHBondContact O-N 2.76Å; K209-K213 WeakPolarHBondContact O-CG 3.4Å; K209-K213 PolarHBondContact O-N 2.81Å
210N95.4Very high92.6Very high0 Ų039.8 Ų39.80%019%0.19CC..Hα-helixtrans-63.5-46.6173.5-64.7-8.4000110.6G74 Q75 E80 L82 N207 N212 K213 F214G74-N210 WeakPolarHBondContact CA-ND2 3.46Å; G74-N210 WeakPolarHBondContact O-CB 3.45Å; G74-N210 PolarHBondContact O-ND2 2.75Å; G74-N210 VanDerWaalsContact O-ND2 3.07Å; Q75-N210 PolarHBondContact NE2-O 3.24Å; E80-N210 PolarHBondContact O-ND2 2.64Å; L82-N210 WeakPolarHBondContact CB-OD1 3.36Å; L82-N210 HydrophobicContact CD1-CB 4.2Å; L82-N210 WeakPolarHBondContact CG-OD1 3.36Å; L82-N210 PolarHBondContact N-OD1 3.3Å; N207-N210 HydrophobicContact CB-CB 4.01Å; N207-N210 PolarHBondContact O-N 3.24Å; N207-N210 PolarHBondContact OD1-N 3.21Å; N210-N212 VanDerWaalsContact C-N 3.26Å; N210-N212 PolarHBondContact O-N 3.09Å; N210-K213 WeakPolarHBondContact O-CB 3.46Å; N210-K213 PolarHBondContact O-N 3.33Å; N210-K213 VanDerWaalsContact O-N 3.1Å; N210-F214 PolarHBondContact O-N 3.2Å; N210-F214 VanDerWaalsContact O-N 3.14Å
211L94.2Very high92.5Very high0 Ų037.1 Ų37.10%018%0.177CC..Hα-helixtrans-58-38.1174.9178.160.2000112W159 M166 L174 L202 I206 N207 K213 F214 I215W159-L211 HydrophobicContact CH2-CG 4.23Å; M166-L211 HydrophobicContact CE-CD2 3.81Å; L174-L211 HydrophobicContact CD1-CD2 3.78Å; L202-L211 HydrophobicContact CD2-CD2 4.23Å; I206-L211 HydrophobicContact CG2-CB 3.99Å; I206-L211 HydrophobicContact CG2-CD2 4.01Å; I206-L211 HydrophobicContact CG2-CG 4.48Å; N207-L211 WeakPolarHBondContact O-CB 3.46Å; N207-L211 PolarHBondContact O-N 2.95Å; L211-K213 VanDerWaalsContact C-N 3.31Å; L211-K213 PolarHBondContact O-N 2.95Å; L211-F214 HydrophobicContact CD1-CD1 4.42Å; L211-F214 PolarHBondContact O-N 3.09Å; L211-I215 HydrophobicContact CD1-CD1 3.87Å; L211-I215 HydrophobicContact CD1-CG1 3.96Å; L211-I215 HydrophobicContact CD2-CD1 4.33Å; L211-I215 HydrophobicContact CG-CD1 3.76Å; L211-I215 HydrophobicContact CG-CG1 4.26Å; L211-I215 WeakPolarHBondContact O-CG1 3.39Å; L211-I215 PolarHBondContact O-N 3.12Å
212N91.8Very high92.4Very high25 Ų2541.6 Ų41.613%0.13419%0.193CC..Hα-helixtrans-62-39.5176-171.929000112.7W159 P208 K209 N210 F214 T216W159-N212 HydrophobicContact CD2-CB 4.41Å; W159-N212 HydrophobicContact CE3-CB 4.05Å; W159-N212 HydrophobicContact CH2-CB 3.26Å; W159-N212 VanDerWaalsContact CH2-N 3.27Å; W159-N212 HydrophobicContact CZ2-CB 3.61Å; W159-N212 HydrophobicContact CZ3-CB 3.47Å; W159-N212 VanDerWaalsContact CZ3-CB 3.47Å; W159-N212 VanDerWaalsContact CZ3-CG 3.48Å; W159-N212 WeakPolarHBondContact CZ3-OD1 3.49Å; P208-N212 WeakPolarHBondContact O-CB 3.35Å; P208-N212 PolarHBondContact O-N 3.22Å; K209-N212 WeakPolarHBondContact O-CB 3.36Å; K209-N212 PolarHBondContact O-N 2.76Å; N210-N212 VanDerWaalsContact C-N 3.26Å; N210-N212 PolarHBondContact O-N 3.09Å; N212-F214 VanDerWaalsContact C-N 3.35Å; N212-T216 VanDerWaalsContact O-CB 3.23Å; N212-T216 WeakPolarHBondContact O-CB 3.37Å; N212-T216 PolarHBondContact O-N 3.23Å; N212-T216 PolarHBondContact O-OG1 2.8Å; N212-T216 PolarHBondContact OD1-OG1 3.11Å
213K93.4Very high92.4Very high45 Ų4544.4 Ų44.420%0.19621%0.208CC..Hα-helixtrans-63.4-43.3175.6-61.8174.1-179.1-77.10110.7L82 P83 A84 Y86 F88 K209 N210 L211 T216 S217L82-K213 HydrophobicContact CB-CD 4.42Å; L82-K213 HydrophobicContact CD1-CD 4.24Å; P83-K213 PolarHBondContact O-NZ 3.25Å; A84-K213 PolarHBondContact O-NZ 3Å; Y86-K213 HydrophobicContact CD1-CD 4.2Å; Y86-K213 PolarHBondContact O-NZ 3.44Å; F88-K213 HydrophobicContact CB-CB 3.79Å; F88-K213 HydrophobicContact CD2-CB 4.43Å; F88-K213 HydrophobicContact CG-CB 4.42Å; K209-K213 WeakPolarHBondContact O-CG 3.4Å; K209-K213 PolarHBondContact O-N 2.81Å; N210-K213 WeakPolarHBondContact O-CB 3.46Å; N210-K213 PolarHBondContact O-N 3.33Å; N210-K213 VanDerWaalsContact O-N 3.1Å; L211-K213 VanDerWaalsContact C-N 3.31Å; L211-K213 PolarHBondContact O-N 2.95Å; K213-T216 PolarHBondContact O-N 2.94Å; K213-S217 PolarHBondContact O-N 2.91Å; K213-S217 VanDerWaalsContact O-N 3.07Å
214F95.3Very high92.5Very high0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-63.1-52.3176.1176.6-150.4000112.2L42 L72 Q75 F88 I91 A117 I121 N210 L211 N212 T216 S217 Y218L42-F214 HydrophobicContact CD2-CD1 3.89Å; L42-F214 HydrophobicContact CD2-CE1 3.5Å; L42-F214 HydrophobicContact CD2-CE2 4.26Å; L42-F214 HydrophobicContact CD2-CG 4.44Å; L42-F214 HydrophobicContact CD2-CZ 3.69Å; L72-F214 HydrophobicContact CD1-CD1 4.39Å; L72-F214 HydrophobicContact CD1-CD2 4.16Å; L72-F214 HydrophobicContact CD1-CE1 3.75Å; L72-F214 HydrophobicContact CD1-CE2 3.51Å; L72-F214 HydrophobicContact CD1-CZ 3.28Å; Q75-F214 HydrophobicContact CG-CD1 4.2Å; F88-F214 HydrophobicContact CD2-CB 4.22Å; F88-F214 HydrophobicContact CE1-CB 4.38Å; F88-F214 AromaticContact CE1-CD2 3.64Å; F88-F214 HydrophobicContact CE1-CD2 3.64Å; F88-F214 HydrophobicContact CE1-CE2 4.42Å; F88-F214 HydrophobicContact CE1-CG 4.38Å; F88-F214 HydrophobicContact CE2-CB 3.76Å; F88-F214 HydrophobicContact CE2-CD2 4.25Å; F88-F214 HydrophobicContact CE2-CG 4.22Å; F88-F214 HydrophobicContact CZ-CB 3.86Å; F88-F214 AromaticContact CZ-CD2 3.44Å; F88-F214 HydrophobicContact CZ-CD2 3.44Å; F88-F214 VanDerWaalsContact CZ-CD2 3.44Å; F88-F214 HydrophobicContact CZ-CE2 4.26Å; F88-F214 AromaticContact CZ-CG 3.86Å; F88-F214 HydrophobicContact CZ-CG 3.86Å; I91-F214 HydrophobicContact CD1-CD2 4.43Å; I91-F214 HydrophobicContact CD1-CE2 4.07Å; A117-F214 HydrophobicContact CB-CZ 4.05Å; I121-F214 HydrophobicContact CD1-CE2 4.18Å; I121-F214 HydrophobicContact CD1-CZ 4.28Å; N210-F214 PolarHBondContact O-N 3.2Å; N210-F214 VanDerWaalsContact O-N 3.14Å; L211-F214 HydrophobicContact CD1-CD1 4.42Å; L211-F214 PolarHBondContact O-N 3.09Å; N212-F214 VanDerWaalsContact C-N 3.35Å; F214-T216 VanDerWaalsContact C-N 3.29Å; F214-T216 PolarHBondContact O-N 2.84Å; F214-S217 PolarHBondContact O-N 3.49Å; F214-Y218 WeakPolarHBondContact O-CB 3.3Å; F214-Y218 PolarHBondContact O-N 2.9Å
215I91.5Very high92.4Very high0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-57.4-45.2178.3-67.9172.6000110.2L42 L156 W159 L174 L211 S217 Y218 M219L42-I215 HydrophobicContact CD1-CG1 4.42Å; L42-I215 HydrophobicContact CD2-CG1 4.09Å; L156-I215 HydrophobicContact CD1-CG2 3.6Å; W159-I215 HydrophobicContact CH2-CD1 3.83Å; W159-I215 HydrophobicContact CZ3-CB 4.32Å; W159-I215 HydrophobicContact CZ3-CD1 3.74Å; L174-I215 HydrophobicContact CD2-CD1 4.1Å; L211-I215 HydrophobicContact CD1-CD1 3.87Å; L211-I215 HydrophobicContact CD1-CG1 3.96Å; L211-I215 HydrophobicContact CD2-CD1 4.33Å; L211-I215 HydrophobicContact CG-CD1 3.76Å; L211-I215 HydrophobicContact CG-CG1 4.26Å; L211-I215 WeakPolarHBondContact O-CG1 3.39Å; L211-I215 PolarHBondContact O-N 3.12Å; I215-S217 PolarHBondContact O-N 3.16Å; I215-Y218 PolarHBondContact O-N 2.95Å; I215-Y218 VanDerWaalsContact O-N 3.17Å; I215-M219 HydrophobicContact CG2-CE 4.06Å; I215-M219 HydrophobicContact CG2-CG 4.02Å; I215-M219 WeakPolarHBondContact O-CB 3.24Å; I215-M219 WeakPolarHBondContact O-CG 3.48Å; I215-M219 PolarHBondContact O-N 2.96Å
216T90.3Very high92.2Very high32 Ų3242 Ų4220%0.19621%0.207CC..Hα-helixtrans-57.7-48178.6-63.10000111.6N212 K213 F214 M219 Q220N212-T216 VanDerWaalsContact O-CB 3.23Å; N212-T216 WeakPolarHBondContact O-CB 3.37Å; N212-T216 PolarHBondContact O-N 3.23Å; N212-T216 PolarHBondContact O-OG1 2.8Å; N212-T216 PolarHBondContact OD1-OG1 3.11Å; K213-T216 PolarHBondContact O-N 2.94Å; F214-T216 VanDerWaalsContact C-N 3.29Å; F214-T216 PolarHBondContact O-N 2.84Å; T216-M219 PolarHBondContact O-N 3.47Å; T216-Q220 WeakPolarHBondContact O-CG 3.26Å; T216-Q220 PolarHBondContact O-N 3.28Å
217S93.7Very high92.3Very high10 Ų1043.2 Ų43.27%0.0722%0.216CC..Hα-helixtrans-62.1-44.5175.8-179.50000111.4P89 I91 K213 F214 I215 M219 Q220 R221P89-S217 PolarHBondContact O-OG 3.16Å; I91-S217 PolarHBondContact N-OG 3.4Å; K213-S217 PolarHBondContact O-N 2.91Å; K213-S217 VanDerWaalsContact O-N 3.07Å; F214-S217 PolarHBondContact O-N 3.49Å; I215-S217 PolarHBondContact O-N 3.16Å; S217-M219 VanDerWaalsContact C-N 3.31Å; S217-M219 PolarHBondContact O-N 3.3Å; S217-Q220 PolarHBondContact O-N 2.97Å; S217-Q220 VanDerWaalsContact O-N 3.09Å; S217-R221 PolarHBondContact O-N 2.96Å
218Y93Very high92.3Very high4 Ų442 Ų422%0.01621%0.21CC..Hα-helixtrans-60.3-39179.5-173.6-108.5000113.2L42 I91 A117 N120 F214 I215 Q220 R221L42-Y218 HydrophobicContact CD1-CD1 3.98Å; L42-Y218 HydrophobicContact CD1-CE1 4.23Å; L42-Y218 HydrophobicContact CD2-CD1 4.06Å; L42-Y218 HydrophobicContact CD2-CG 4.17Å; L42-Y218 HydrophobicContact CG-CD1 4.41Å; I91-Y218 HydrophobicContact CD1-CD2 4.16Å; I91-Y218 HydrophobicContact CG1-CD2 4.22Å; A117-Y218 VanDerWaalsContact CA-CE2 3.48Å; A117-Y218 WeakPolarHBondContact CA-OH 3.34Å; A117-Y218 HydrophobicContact CB-CD1 4.32Å; A117-Y218 HydrophobicContact CB-CD2 3.79Å; A117-Y218 HydrophobicContact CB-CE1 3.97Å; A117-Y218 HydrophobicContact CB-CE2 3.41Å; A117-Y218 VanDerWaalsContact CB-CE2 3.41Å; A117-Y218 HydrophobicContact CB-CG 4.23Å; N120-Y218 HydrophobicContact CB-CE2 4.16Å; F214-Y218 WeakPolarHBondContact O-CB 3.3Å; F214-Y218 PolarHBondContact O-N 2.9Å; I215-Y218 PolarHBondContact O-N 2.95Å; I215-Y218 VanDerWaalsContact O-N 3.17Å; Y218-Q220 VanDerWaalsContact C-N 3.28Å; Y218-Q220 PolarHBondContact O-N 3.47Å; Y218-R221 VanDerWaalsContact CD1-NH1 3.26Å; Y218-R221 VanDerWaalsContact CZ-NH1 3.3Å; Y218-R221 WeakPolarHBondContact O-CB 3.15Å; Y218-R221 VanDerWaalsContact O-CD 3.26Å; Y218-R221 WeakPolarHBondContact O-CD 3.32Å; Y218-R221 WeakPolarHBondContact O-CG 3.45Å; Y218-R221 PolarHBondContact O-N 3.27Å; Y218-R221 PolarHBondContact O-NH1 2.95Å; Y218-R221 VanDerWaalsContact OH-CZ 3.31Å; Y218-R221 PolarHBondContact OH-NH2 3.47Å; Y218-R221 VanDerWaalsContact OH-NH2 3.12Å
219M88.1Confident92.3Very high25 Ų2544 Ų4412%0.12322%0.223CC..Hα-helixtrans-73-20178.8-64.2-54.9-174.400113.4P146 F148 L156 F173 I215 T216 S217P146-M219 HydrophobicContact CG-CE 4.13Å; P146-M219 HydrophobicContact CG-SD 3.37Å; P146-M219 WeakPolarHBondContact CG-SD 3.36Å; F148-M219 HydrophobicContact CE1-CE 4.33Å; F148-M219 HydrophobicContact CE1-SD 4.44Å; F148-M219 HydrophobicContact CE2-CB 4.36Å; F148-M219 HydrophobicContact CE2-CG 4.25Å; F148-M219 HydrophobicContact CE2-SD 3.77Å; F148-M219 HydrophobicContact CZ-CB 4.18Å; F148-M219 HydrophobicContact CZ-CE 3.76Å; F148-M219 HydrophobicContact CZ-CG 3.68Å; F148-M219 HydrophobicContact CZ-SD 3.37Å; F148-M219 WeakPolarHBondContact CZ-SD 3.1Å; L156-M219 HydrophobicContact CD2-CG 4.47Å; F173-M219 HydrophobicContact CE1-CE 4.33Å; F173-M219 HydrophobicContact CZ-CE 3.92Å; I215-M219 HydrophobicContact CG2-CE 4.06Å; I215-M219 HydrophobicContact CG2-CG 4.02Å; I215-M219 WeakPolarHBondContact O-CB 3.24Å; I215-M219 WeakPolarHBondContact O-CG 3.48Å; I215-M219 PolarHBondContact O-N 2.96Å; T216-M219 PolarHBondContact O-N 3.47Å; S217-M219 VanDerWaalsContact C-N 3.31Å; S217-M219 PolarHBondContact O-N 3.3Å
220Q90.5Very high92.5Very high147 Ų14743.4 Ų43.469%0.68723%0.227SC*.THydrogen-bonded Turntrans-89.1-0.6176.4-68.7174.6-10.300113.4T216 S217 Y218T216-Q220 WeakPolarHBondContact O-CG 3.26Å; T216-Q220 PolarHBondContact O-N 3.28Å; S217-Q220 PolarHBondContact O-N 2.97Å; S217-Q220 VanDerWaalsContact O-N 3.09Å; Y218-Q220 VanDerWaalsContact C-N 3.28Å; Y218-Q220 PolarHBondContact O-N 3.47Å
221R92.3Very high92.5Very high16 Ų1643.7 Ų43.76%0.0623%0.229CC..PPolyproline II helixtrans-61.9147-178.578.5-170.5-178.1-83.56.9111.8I91 T144 P145 S217 Y218I91-R221 HydrophobicContact CB-CB 4.06Å; I91-R221 HydrophobicContact CG1-CB 4.1Å; I91-R221 HydrophobicContact CG2-CB 4.28Å; T144-R221 PolarHBondContact O-NH2 3.29Å; P145-R221 VanDerWaalsContact CG-O 3.3Å; P145-R221 WeakPolarHBondContact CG-O 3.48Å; S217-R221 PolarHBondContact O-N 2.96Å; Y218-R221 VanDerWaalsContact CD1-NH1 3.26Å; Y218-R221 VanDerWaalsContact CZ-NH1 3.3Å; Y218-R221 WeakPolarHBondContact O-CB 3.15Å; Y218-R221 VanDerWaalsContact O-CD 3.26Å; Y218-R221 WeakPolarHBondContact O-CD 3.32Å; Y218-R221 WeakPolarHBondContact O-CG 3.45Å; Y218-R221 PolarHBondContact O-N 3.27Å; Y218-R221 PolarHBondContact O-NH1 2.95Å; Y218-R221 VanDerWaalsContact OH-CZ 3.31Å; Y218-R221 PolarHBondContact OH-NH2 3.47Å; Y218-R221 VanDerWaalsContact OH-NH2 3.12Å
222K91.5Very high92.5Very high162 Ų16248.6 Ų48.670%0.70425%0.25SS*.PPolyproline II helixtrans-74156.5171.7-65.7-173.9176.8-174.40111.6R124R124-K222 PolarHBondContact NH2-O 3.33Å
223N92.5Very high92.8Very high60 Ų6047.7 Ų47.732%0.32125%0.246SC..PPolyproline II helixtrans-59.7142.6170.8-166-27.8000110.7G143 S225G143-N223 PolarHBondContact O-OD1 3.34Å; G143-N223 VanDerWaalsContact O-OD1 3.13Å; N223-S225 VanDerWaalsContact C-N 3.27Å; N223-S225 WeakPolarHBondContact OD1-CB 3.31Å; N223-S225 PolarHBondContact OD1-N 3.26Å; N223-S225 PolarHBondContact OD1-OG 3.38Å
224L93.2Very high93Very high1 Ų146.8 Ų46.81%0.00525%0.245CC..SBendtrans-72.7-18.3173.4-76.6-178.1000113.3A123 R124 I127 G143 E226 S227 L228A123-L224 HydrophobicContact CB-CD1 3.93Å; R124-L224 HydrophobicContact CG-CD2 3.62Å; I127-L224 HydrophobicContact CD1-CD2 4.08Å; G143-L224 PolarHBondContact O-N 3.19Å; L224-E226 VanDerWaalsContact C-N 3.29Å; L224-E226 PolarHBondContact O-N 3.26Å; L224-S227 CarbonylContact O-C 3.58Å; L224-S227 PolarHBondContact O-N 2.71Å; L224-S227 PolarHBondContact O-OG 2.98Å; L224-L228 PolarHBondContact O-N 3.21Å
225S88.5Confident93.1Very high54 Ų5446.9 Ų46.938%0.37825%0.245SC..THydrogen-bonded Turntrans-49.9-44.3-172.456.70000113.9N223 S227N223-S225 VanDerWaalsContact C-N 3.27Å; N223-S225 WeakPolarHBondContact OD1-CB 3.31Å; N223-S225 PolarHBondContact OD1-N 3.26Å; N223-S225 PolarHBondContact OD1-OG 3.38Å; S225-S227 VanDerWaalsContact C-N 3.31Å; S225-S227 PolarHBondContact O-N 2.71Å
226E90.1Very high93.5Very high168 Ų16846.9 Ų46.979%0.78525%0.245SC*.THydrogen-bonded Turntrans-69.4-29.9-179.7-66.5176.3-174.300112.8L224L224-E226 VanDerWaalsContact C-N 3.29Å; L224-E226 PolarHBondContact O-N 3.26Å
227S94.1Very high93.9Very high34 Ų3445.4 Ų45.424%0.23824%0.236CC..THydrogen-bonded Turntrans-96.7-9.7-177.257.40000113.9L224 S225 P229 S230L224-S227 CarbonylContact O-C 3.58Å; L224-S227 PolarHBondContact O-N 2.71Å; L224-S227 PolarHBondContact O-OG 2.98Å; S225-S227 VanDerWaalsContact C-N 3.31Å; S225-S227 PolarHBondContact O-N 2.71Å; S227-P229 VanDerWaalsContact C-CD 3.42Å; S227-S230 WeakPolarHBondContact O-CB 3.49Å; S227-S230 PolarHBondContact O-N 3.47Å
228L93.6Very high94.1Very high2 Ų244.9 Ų44.91%0.0123%0.233CC..G310 helixtrans-60.8-32.6-175.6-16162.6000113.9L224 S230 L231 L252 D255 L256 I259L224-L228 PolarHBondContact O-N 3.21Å; L228-S230 PolarHBondContact O-N 2.91Å; L228-S230 VanDerWaalsContact O-N 3.11Å; L228-L231 HydrophobicContact CD1-CB 4.33Å; L228-L231 HydrophobicContact CD1-CD2 3.84Å; L228-L231 WeakPolarHBondContact O-CB 3.41Å; L228-L231 PolarHBondContact O-N 3.44Å; L228-L252 HydrophobicContact CD1-CD1 3.9Å; L228-L252 HydrophobicContact CD2-CD1 4.02Å; L228-D255 HydrophobicContact CD2-CB 3.73Å; L228-L256 HydrophobicContact CD1-CD1 4.06Å; L228-L256 HydrophobicContact CD2-CB 4.23Å; L228-L256 HydrophobicContact CG-CD1 4.03Å; L228-I259 HydrophobicContact CB-CD1 3.69Å; L228-I259 HydrophobicContact CD2-CD1 3.76Å; L228-I259 HydrophobicContact CG-CD1 3.75Å
229P93.6Very high94.3Very high68 Ų6844.7 Ų44.744%0.44223%0.232SC..G310 helixtrans-58.1-20.5171.6-27.136.9000115.5S227 I259S227-P229 VanDerWaalsContact C-CD 3.42Å; P229-I259 HydrophobicContact CB-CG2 4.17Å; P229-I259 HydrophobicContact CG-CD1 4.03Å; P229-I259 HydrophobicContact CG-CG1 4.48Å; P229-I259 HydrophobicContact CG-CG2 4.32Å
230S95.4Very high94.6Very high59 Ų5943.5 Ų43.541%0.41323%0.226SC..G310 helixtrans-90.2-2.6176.7-61.90000113.4S227 L228 K232S227-S230 WeakPolarHBondContact O-CB 3.49Å; S227-S230 PolarHBondContact O-N 3.47Å; L228-S230 PolarHBondContact O-N 2.91Å; L228-S230 VanDerWaalsContact O-N 3.11Å; S230-K232 PolarHBondContact O-N 3.2Å
231L96.1Very high94.8Very high6 Ų637.7 Ų37.73%0.03120%0.203CC..  trans-82.178.8175.7-17559.4000110.7A126 I127 L228 V235 L256 R260A126-L231 HydrophobicContact CB-CD1 3.4Å; A126-L231 VanDerWaalsContact CB-CD1 3.4Å; I127-L231 HydrophobicContact CD1-CB 4.35Å; I127-L231 HydrophobicContact CG1-CB 3.8Å; I127-L231 HydrophobicContact CG1-CD1 4.21Å; L228-L231 HydrophobicContact CD1-CB 4.33Å; L228-L231 HydrophobicContact CD1-CD2 3.84Å; L228-L231 WeakPolarHBondContact O-CB 3.41Å; L228-L231 PolarHBondContact O-N 3.44Å; L231-V235 HydrophobicContact CD1-CG2 4.31Å; L231-V235 HydrophobicContact CD2-CG2 4Å; L231-V235 HydrophobicContact CG-CG2 4.03Å; L231-L256 HydrophobicContact CB-CD1 4.34Å; L231-L256 HydrophobicContact CD2-CD1 4.19Å; L231-L256 HydrophobicContact CD2-CD2 4.22Å; L231-L256 HydrophobicContact CG-CD1 4.45Å; L231-R260 PolarHBondContact O-NH2 3.49Å
232K95Very high94.7Very high102 Ų10240.6 Ų40.644%0.44322%0.219SC..  trans-88.5-31.1-170.4-63179.2-178-1790114.1S230 G268S230-K232 PolarHBondContact O-N 3.2Å; K232-G268 WeakPolarHBondContact O-CA 3.24Å; K232-G268 PolarHBondContact O-N 3.16Å
233C97Very high94.7Very high6 Ų633 Ų334%0.04119%0.187CC..SBendtrans-58.8156.8178.9730000112.9D130 V133 V235 R260D130-C233 PolarHBondContact OD1-N 3.07Å; V133-C233 HydrophobicContact CB-CB 4.37Å; V133-C233 HydrophobicContact CG1-CB 3.93Å; C233-V235 WeakPolarHBondContact O-CG2 3.35Å; C233-R260 PolarHBondContact O-NH2 2.93Å
234P97.7Very high94.5Very high27 Ų2732.9 Ų32.918%0.17519%0.191CC..  trans-57139.8171.2-24.934.9000112G135 A136 S269 F296 I300G135-P234 CarbonylContact C-O 3.57Å; G135-P234 VanDerWaalsContact CA-O 3.22Å; G135-P234 WeakPolarHBondContact CA-O 3.43Å; A136-P234 PolarHBondContact N-O 2.96Å; P234-S269 CarbonylContact C-O 3.59Å; P234-S269 VanDerWaalsContact CA-O 3.3Å; P234-S269 WeakPolarHBondContact CA-O 3.42Å; P234-F296 HydrophobicContact CB-CE2 3.81Å; P234-F296 HydrophobicContact CB-CZ 3.92Å; P234-I300 HydrophobicContact CB-CG2 3.66Å; P234-I300 HydrophobicContact CG-CG2 3.72Å
235V98.4Very high94.2Very high1 Ų134.2 Ų34.21%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-131127.4-176178.30000110.8A136 L138 L231 C233 L237 L256 S269 S270 E271A136-V235 HydrophobicContact CB-CG2 4.44Å; A136-V235 CarbonylContact O-C 3.54Å; A136-V235 WeakPolarHBondContact O-CA 3.33Å; L138-V235 HydrophobicContact CD1-CG1 4.02Å; L231-V235 HydrophobicContact CD1-CG2 4.31Å; L231-V235 HydrophobicContact CD2-CG2 4Å; L231-V235 HydrophobicContact CG-CG2 4.03Å; C233-V235 WeakPolarHBondContact O-CG2 3.35Å; V235-L237 HydrophobicContact CG1-CD1 4.42Å; V235-L237 HydrophobicContact CG1-CG 3.97Å; V235-L256 HydrophobicContact CB-CD2 4.07Å; V235-L256 HydrophobicContact CG1-CD2 4.23Å; V235-L256 HydrophobicContact CG2-CD2 4.14Å; V235-S269 PolarHBondContact N-O 3.22Å; V235-S270 CarbonylContact O-C 3.55Å; V235-S270 VanDerWaalsContact O-CA 3.29Å; V235-S270 WeakPolarHBondContact O-CA 3.3Å; V235-E271 PolarHBondContact O-N 3.33Å
236L98.7Very high94.4Very high0 Ų034.2 Ų34.20%019%0.191CC..EExtended strand (participates in β ladder)trans-107.4113.9166.4174.764.2000109.1A136 I137 L138 I238 E271 V273 F296A136-L236 PolarHBondContact O-N 3.49Å; I137-L236 CarbonylContact C-O 3.55Å; I137-L236 WeakPolarHBondContact CA-O 3.23Å; I137-L236 HydrophobicContact CG1-CB 4.35Å; I137-L236 HydrophobicContact CG1-CD2 4.35Å; I137-L236 HydrophobicContact CG2-CD2 4.22Å; L138-L236 PolarHBondContact N-O 3.49Å; L236-I238 HydrophobicContact CD1-CG1 4.3Å; L236-I238 HydrophobicContact CD2-CD1 3.86Å; L236-I238 HydrophobicContact CD2-CG1 4.15Å; L236-I238 HydrophobicContact CG-CD1 4.16Å; L236-I238 HydrophobicContact CG-CG1 3.88Å; L236-E271 HydrophobicContact CD1-CB 3.72Å; L236-V273 HydrophobicContact CD1-CG2 3.88Å; L236-F296 HydrophobicContact CB-CB 4.3Å; L236-F296 HydrophobicContact CB-CD1 4.2Å; L236-F296 HydrophobicContact CB-CD2 3.7Å; L236-F296 HydrophobicContact CB-CE1 4.46Å; L236-F296 HydrophobicContact CB-CE2 3.98Å; L236-F296 HydrophobicContact CB-CG 3.8Å; L236-F296 HydrophobicContact CB-CZ 4.35Å; L236-F296 HydrophobicContact CD2-CB 3.76Å; L236-F296 HydrophobicContact CD2-CG 4.1Å
237L98.6Very high94.6Very high1 Ų134 Ų341%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-96.3128.9172.5-75.4161000109.4L138 C141 V235 L252 F253 E271 F272 V273L138-L237 HydrophobicContact CB-CD2 3.75Å; L138-L237 HydrophobicContact CD1-CD2 4.39Å; L138-L237 WeakPolarHBondContact O-CA 3.41Å; C141-L237 HydrophobicContact CB-CD2 3.88Å; V235-L237 HydrophobicContact CG1-CD1 4.42Å; V235-L237 HydrophobicContact CG1-CG 3.97Å; L237-L252 HydrophobicContact CD1-CG 4.46Å; L237-L252 HydrophobicContact CD2-CD2 4.14Å; L237-F253 HydrophobicContact CD1-CB 3.64Å; L237-F253 HydrophobicContact CD1-CD2 4.29Å; L237-F253 HydrophobicContact CD1-CG 4.46Å; L237-E271 PolarHBondContact N-O 3.29Å; L237-F272 HydrophobicContact CB-CD2 3.76Å; L237-F272 HydrophobicContact CB-CE2 4.42Å; L237-F272 WeakPolarHBondContact O-CA 3.3Å; L237-V273 PolarHBondContact O-N 3.29Å
238I98.6Very high94.6Very high0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-125.3136.4178.5-50.8177.8000109.3I137 L138 I139 N140 L236 V273 I275 V281 V289I137-I238 HydrophobicContact CG2-CD1 4.12Å; L138-I238 PolarHBondContact O-N 3.33Å; L138-I238 VanDerWaalsContact O-N 3.1Å; I139-I238 CarbonylContact C-O 3.56Å; I139-I238 VanDerWaalsContact CA-O 3.3Å; I139-I238 WeakPolarHBondContact CA-O 3.47Å; I139-I238 HydrophobicContact CG1-CB 4.3Å; N140-I238 PolarHBondContact N-O 3.03Å; L236-I238 HydrophobicContact CD1-CG1 4.3Å; L236-I238 HydrophobicContact CD2-CD1 3.86Å; L236-I238 HydrophobicContact CD2-CG1 4.15Å; L236-I238 HydrophobicContact CG-CD1 4.16Å; L236-I238 HydrophobicContact CG-CG1 3.88Å; I238-V273 CarbonylContact C-O 3.56Å; I238-V273 WeakPolarHBondContact CA-O 3.36Å; I238-V273 HydrophobicContact CG1-CB 4.41Å; I238-I275 HydrophobicContact CG2-CD1 4.05Å; I238-V281 HydrophobicContact CG2-CG2 4.24Å; I238-V289 HydrophobicContact CD1-CG1 3.99Å
239T97.5Very high94.7Very high0 Ų035.5 Ų35.50%019%0.189CC..EExtended strand (participates in β ladder)trans-148.2155.9172.2-164.20000111.3N140 H246 C249 F272 V273 M274 I275N140-T239 WeakPolarHBondContact OD1-CA 3.43Å; N140-T239 WeakPolarHBondContact OD1-CB 3.38Å; N140-T239 PolarHBondContact OD1-OG1 3.3Å; T239-H246 HydrophobicContact CG2-CB 3.96Å; T239-H246 WeakPolarHBondContact OG1-CA 3.46Å; T239-C249 HydrophobicContact CG2-CB 4.4Å; T239-F272 HydrophobicContact CG2-CE2 4.06Å; T239-F272 HydrophobicContact CG2-CZ 3.63Å; T239-V273 PolarHBondContact N-O 2.91Å; T239-M274 HydrophobicContact CG2-CG 4.14Å; T239-M274 CarbonylContact O-C 3.51Å; T239-M274 WeakPolarHBondContact O-CA 3.06Å; T239-I275 PolarHBondContact O-N 2.83Å
240G94.7Very high94.8Very high0 Ų036.7 Ų36.70%019%0.185CC..EExtended strand (participates in β ladder)trans-84.9143.7169.100000110.8L242 A243 H246 I275 V278G240-L242 PolarHBondContact O-N 2.8Å; G240-A243 VanDerWaalsContact O-CB 3.22Å; G240-A243 WeakPolarHBondContact O-CB 3.19Å; G240-A243 PolarHBondContact O-N 3.22Å; G240-H246 VanDerWaalsContact O-CB 3.3Å; G240-H246 WeakPolarHBondContact O-CB 3.34Å; G240-I275 CarbonylContact C-O 3.56Å; G240-I275 WeakPolarHBondContact CA-O 3.13Å; G240-V278 CarbonylContact C-O 3.6Å; G240-V278 VanDerWaalsContact C-O 3.23Å; G240-V278 WeakPolarHBondContact CA-O 3.36Å
241A93Very high94.8Very high24 Ų2438.1 Ų38.120%0.19819%0.185CC..THydrogen-bonded Turntrans-61.2-26.9178.800000112.9H246 M274 I275 V278A241-H246 PolarHBondContact O-CE1 2.87Å; A241-H246 PolarHBondContact O-ND1 2.8Å; A241-M274 HydrophobicContact CB-CG 4.27Å; A241-I275 PolarHBondContact N-O 3.45Å; A241-V278 PolarHBondContact N-O 2.92Å
242L90.8Very high94.9Very high77 Ų7738.4 Ų38.440%0.40319%0.186SC..THydrogen-bonded Turntrans-98.52.3177.3-53.4175.9000112.8T185 G240 V278T185-L242 HydrophobicContact CG2-CD1 3.71Å; G240-L242 PolarHBondContact O-N 2.8Å; L242-V278 WeakPolarHBondContact CA-O 3.43Å; L242-V278 WeakPolarHBondContact CB-O 3.46Å; L242-V278 PolarHBondContact N-O 3.42Å
243A92.1Very high94.9Very high3 Ų335.4 Ų35.43%0.02517%0.174CC..SBendtrans-66.3141.2179.300000110.9G240 H245 H246 S279G240-A243 VanDerWaalsContact O-CB 3.22Å; G240-A243 WeakPolarHBondContact O-CB 3.19Å; G240-A243 PolarHBondContact O-N 3.22Å; A243-H245 PolarHBondContact O-N 2.87Å; A243-H246 HydrophobicContact CB-CB 4.47Å; A243-H246 PolarHBondContact O-N 2.77Å; A243-H246 PolarHBondContact O-ND1 3.27Å; A243-S279 VanDerWaalsContact CB-O 3.3Å; A243-S279 WeakPolarHBondContact CB-O 3.39Å
244S88Confident94.9Very high58 Ų5839.4 Ų39.441%0.40619%0.192SC..THydrogen-bonded Turntrans-52.5-27.9178.3-79.90000114.2V176 G180V176-S244 PolarHBondContact O-OG 3.32Å; G180-S244 WeakPolarHBondContact CA-OG 3.46Å
245H87.5Confident94.8Very high29 Ų2940.7 Ų40.713%0.13420%0.197CC..THydrogen-bonded Turntrans-108.64.1-171.5-54-60.6000114.3T142 H177 A243 K247 K248 C249T142-H245 HydrophobicContact CG2-CB 3.66Å; H177-H245 AromaticContact CD2-NE2 3.96Å; H177-H245 AromaticContact CE1-CE1 3.59Å; H177-H245 AromaticContact CE1-NE2 3.21Å; H177-H245 PolarHBondContact CE1-NE2 2.98Å; H177-H245 AromaticContact CG-NE2 3.72Å; H177-H245 AromaticContact ND1-CE1 3.51Å; H177-H245 AromaticContact ND1-NE2 3.24Å; H177-H245 PolarHBondContact ND1-NE2 3.3Å; H177-H245 AromaticContact NE2-NE2 3.65Å; H177-H245 PolarHBondContact O-NE2 3.41Å; A243-H245 PolarHBondContact O-N 2.87Å; H245-K247 VanDerWaalsContact C-N 3.32Å; H245-K247 PolarHBondContact O-N 3.19Å; H245-K248 PolarHBondContact O-N 2.98Å; H245-C249 PolarHBondContact O-N 2.95Å
246H92.7Very high94.6Very high54 Ų5440.7 Ų40.725%0.2520%0.197CC..Hα-helixtrans-55-42.7-170.469.6-89.3000113.4T239 G240 A241 A243 K248 C249 R250T239-H246 HydrophobicContact CG2-CB 3.96Å; T239-H246 WeakPolarHBondContact OG1-CA 3.46Å; G240-H246 VanDerWaalsContact O-CB 3.3Å; G240-H246 WeakPolarHBondContact O-CB 3.34Å; A241-H246 PolarHBondContact O-CE1 2.87Å; A241-H246 PolarHBondContact O-ND1 2.8Å; A243-H246 HydrophobicContact CB-CB 4.47Å; A243-H246 PolarHBondContact O-N 2.77Å; A243-H246 PolarHBondContact O-ND1 3.27Å; H246-K248 PolarHBondContact O-N 3.47Å; H246-C249 PolarHBondContact O-N 3.09Å; H246-R250 WeakPolarHBondContact O-CB 3.2Å; H246-R250 PolarHBondContact O-N 3.2Å
247K93.7Very high94.4Very high162 Ų16243 Ų4370%0.70421%0.208SC*.Hα-helixtrans-62.7-41.5177-60-173179174.20112.4H245 R250 Q251H245-K247 VanDerWaalsContact C-N 3.32Å; H245-K247 PolarHBondContact O-N 3.19Å; K247-R250 PolarHBondContact O-N 3.27Å; K247-Q251 PolarHBondContact O-N 2.7Å
248K93.6Very high94.2Very high68 Ų6848.8 Ų48.830%0.29623%0.233SC..Hα-helixtrans-72.1-33.3178.8-67.6-177.4-177.8177.60111.9T142 H245 H246 L252T142-K248 HydrophobicContact CG2-CB 3.65Å; T142-K248 HydrophobicContact CG2-CD 4.27Å; H245-K248 PolarHBondContact O-N 2.98Å; H246-K248 PolarHBondContact O-N 3.47Å; K248-L252 PolarHBondContact O-N 2.93Å; K248-L252 VanDerWaalsContact O-N 3.08Å
249C95.4Very high93.9Very high0 Ų050.5 Ų50.50%024%0.242CC..Hα-helixtrans-66.8-43.5173.5-164.80000111.2C141 T239 H245 H246 L252 F253 F272C141-C249 VanDerWaalsContact O-CA 3.27Å; C141-C249 WeakPolarHBondContact O-CA 3.41Å; C141-C249 WeakPolarHBondContact O-CB 3.43Å; C141-C249 PolarHBondContact O-SG 2.88Å; C141-C249 VanDerWaalsContact O-SG 3.34Å; T239-C249 HydrophobicContact CG2-CB 4.4Å; H245-C249 PolarHBondContact O-N 2.95Å; H246-C249 PolarHBondContact O-N 3.09Å; C249-L252 WeakPolarHBondContact O-CB 3.38Å; C249-L252 PolarHBondContact O-N 2.81Å; C249-F253 PolarHBondContact O-N 3.11Å; C249-F253 VanDerWaalsContact O-N 3.09Å; C249-F272 HydrophobicContact CB-CE2 4.49Å
250R96.7Very high93.7Very high93 Ų9351.6 Ų51.635%0.35125%0.246SC..Hα-helixtrans-61-44.1172.4179.5170.6-71.3-91.64.5112.5H246 K247 L252 F253 E254 F272H246-R250 WeakPolarHBondContact O-CB 3.2Å; H246-R250 PolarHBondContact O-N 3.2Å; K247-R250 PolarHBondContact O-N 3.27Å; R250-L252 VanDerWaalsContact C-N 3.31Å; R250-L252 PolarHBondContact O-N 2.92Å; R250-F253 WeakPolarHBondContact O-CB 3.44Å; R250-F253 PolarHBondContact O-N 3.34Å; R250-F253 VanDerWaalsContact O-N 3.15Å; R250-E254 HydrophobicContact CG-CG 4.49Å; R250-E254 WeakPolarHBondContact CG-OE1 3.38Å; R250-E254 WeakPolarHBondContact O-CG 3.46Å; R250-E254 PolarHBondContact O-N 3.12Å; R250-F272 HydrophobicContact CB-CE1 4.42Å; R250-F272 HydrophobicContact CB-CE2 4.34Å; R250-F272 HydrophobicContact CB-CZ 3.88Å; R250-F272 HydrophobicContact CG-CZ 4.49Å
251Q95.8Very high93.5Very high89 Ų8959.1 Ų59.142%0.41627%0.274SS..Hα-helixtrans-58.6-43.8175.5-1756456.300111.8K247 F253 E254 D255K247-Q251 PolarHBondContact O-N 2.7Å; Q251-F253 VanDerWaalsContact C-N 3.3Å; Q251-F253 PolarHBondContact O-N 2.81Å; Q251-E254 PolarHBondContact O-N 3.44Å; Q251-D255 PolarHBondContact NE2-OD1 3.2Å; Q251-D255 WeakPolarHBondContact O-CB 3.37Å; Q251-D255 PolarHBondContact O-N 3.21Å
252L96.3Very high93.3Very high12 Ų1264 Ų646%0.06330%0.297CS..Hα-helixtrans-59.7-41176.6176.763.1000111.9C141 L228 L237 K248 C249 R250 L256C141-L252 HydrophobicContact CB-CD2 4.23Å; L228-L252 HydrophobicContact CD1-CD1 3.9Å; L228-L252 HydrophobicContact CD2-CD1 4.02Å; L237-L252 HydrophobicContact CD1-CG 4.46Å; L237-L252 HydrophobicContact CD2-CD2 4.14Å; K248-L252 PolarHBondContact O-N 2.93Å; K248-L252 VanDerWaalsContact O-N 3.08Å; C249-L252 WeakPolarHBondContact O-CB 3.38Å; C249-L252 PolarHBondContact O-N 2.81Å; R250-L252 VanDerWaalsContact C-N 3.31Å; R250-L252 PolarHBondContact O-N 2.92Å; L252-L256 WeakPolarHBondContact O-CB 3.2Å; L252-L256 PolarHBondContact O-N 3.12Å
253F97Very high93.1Very high40 Ų4062.3 Ų62.318%0.17529%0.292CS..Hα-helixtrans-62.4-47.5174.4170.2-108.6000112L237 C249 R250 Q251 D255 L256 E257 F272L237-F253 HydrophobicContact CD1-CB 3.64Å; L237-F253 HydrophobicContact CD1-CD2 4.29Å; L237-F253 HydrophobicContact CD1-CG 4.46Å; C249-F253 PolarHBondContact O-N 3.11Å; C249-F253 VanDerWaalsContact O-N 3.09Å; R250-F253 WeakPolarHBondContact O-CB 3.44Å; R250-F253 PolarHBondContact O-N 3.34Å; R250-F253 VanDerWaalsContact O-N 3.15Å; Q251-F253 VanDerWaalsContact C-N 3.3Å; Q251-F253 PolarHBondContact O-N 2.81Å; F253-D255 VanDerWaalsContact C-N 3.33Å; F253-D255 PolarHBondContact O-N 3.35Å; F253-L256 PolarHBondContact O-N 3.34Å; F253-E257 HydrophobicContact CD1-CG 4.42Å; F253-E257 HydrophobicContact CD2-CG 4Å; F253-E257 HydrophobicContact CE1-CG 3.97Å; F253-E257 HydrophobicContact CE2-CG 3.52Å; F253-E257 HydrophobicContact CG-CG 4.45Å; F253-E257 HydrophobicContact CZ-CG 3.5Å; F253-E257 WeakPolarHBondContact O-CB 3.18Å; F253-E257 WeakPolarHBondContact O-CG 3.48Å; F253-E257 PolarHBondContact O-N 3.27Å; F253-F272 HydrophobicContact CB-CB 4.25Å; F253-F272 HydrophobicContact CB-CD2 3.76Å; F253-F272 HydrophobicContact CB-CE2 4.46Å; F253-F272 HydrophobicContact CB-CG 4.18Å; F253-F272 HydrophobicContact CD1-CB 3.65Å; F253-F272 HydrophobicContact CD1-CD2 4.4Å; F253-F272 AromaticContact CD1-CG 3.97Å; F253-F272 HydrophobicContact CD1-CG 3.97Å; F253-F272 HydrophobicContact CD2-CB 3.55Å; F253-F272 HydrophobicContact CD2-CG 4.38Å; F253-F272 HydrophobicContact CE1-CB 3.75Å; F253-F272 HydrophobicContact CE1-CG 4.44Å; F253-F272 HydrophobicContact CE2-CB 3.63Å; F253-F272 HydrophobicContact CG-CB 3.53Å; F253-F272 AromaticContact CG-CD2 4Å; F253-F272 HydrophobicContact CG-CD2 4Å; F253-F272 AromaticContact CG-CG 3.92Å; F253-F272 HydrophobicContact CG-CG 3.92Å; F253-F272 HydrophobicContact CZ-CB 3.73Å
254E96.1Very high92.5Very high89 Ų8965.7 Ų65.742%0.41633%0.327SS..Hα-helixtrans-62.8-39.7180-71172.8-171.400112.3R250 Q251 K258R250-E254 HydrophobicContact CG-CG 4.49Å; R250-E254 WeakPolarHBondContact CG-OE1 3.38Å; R250-E254 WeakPolarHBondContact O-CG 3.46Å; R250-E254 PolarHBondContact O-N 3.12Å; Q251-E254 PolarHBondContact O-N 3.44Å; E254-K258 WeakPolarHBondContact O-CB 3.39Å; E254-K258 PolarHBondContact O-N 3.36Å
255D95Very high91.8Very high54 Ų5466.3 Ų66.329%0.28934%0.342SS..Hα-helixtrans-63.2-45174.8-67.6-17.9000111.1L228 Q251 F253 K258 I259L228-D255 HydrophobicContact CD2-CB 3.73Å; Q251-D255 PolarHBondContact NE2-OD1 3.2Å; Q251-D255 WeakPolarHBondContact O-CB 3.37Å; Q251-D255 PolarHBondContact O-N 3.21Å; F253-D255 VanDerWaalsContact C-N 3.33Å; F253-D255 PolarHBondContact O-N 3.35Å; D255-K258 PolarHBondContact O-N 3.44Å; D255-I259 WeakPolarHBondContact O-CG1 3.23Å; D255-I259 PolarHBondContact O-N 3.13Å; D255-I259 VanDerWaalsContact O-N 3.13Å
256L95.2Very high91.1Very high2 Ų272.9 Ų72.91%0.0137%0.373CS..Hα-helixtrans-65.5-44.4178.7-176.961.2000111.6L228 L231 V235 L252 F253 K258 I259 R260L228-L256 HydrophobicContact CD1-CD1 4.06Å; L228-L256 HydrophobicContact CD2-CB 4.23Å; L228-L256 HydrophobicContact CG-CD1 4.03Å; L231-L256 HydrophobicContact CB-CD1 4.34Å; L231-L256 HydrophobicContact CD2-CD1 4.19Å; L231-L256 HydrophobicContact CD2-CD2 4.22Å; L231-L256 HydrophobicContact CG-CD1 4.45Å; V235-L256 HydrophobicContact CB-CD2 4.07Å; V235-L256 HydrophobicContact CG1-CD2 4.23Å; V235-L256 HydrophobicContact CG2-CD2 4.14Å; L252-L256 WeakPolarHBondContact O-CB 3.2Å; L252-L256 PolarHBondContact O-N 3.12Å; F253-L256 PolarHBondContact O-N 3.34Å; L256-K258 VanDerWaalsContact C-N 3.33Å; L256-K258 PolarHBondContact O-N 3.07Å; L256-I259 PolarHBondContact O-N 3.26Å; L256-R260 HydrophobicContact CD1-CG 4.47Å; L256-R260 WeakPolarHBondContact O-CB 3.37Å; L256-R260 VanDerWaalsContact O-CG 3.27Å; L256-R260 WeakPolarHBondContact O-CG 3.48Å; L256-R260 PolarHBondContact O-N 2.51Å
257E94.1Very high90.7Very high47 Ų4771.7 Ų71.722%0.2237%0.37CS..Hα-helixtrans-60.8-40.6176-86.3-64.7124.100112.2F253 R260 R261 S270F253-E257 HydrophobicContact CD1-CG 4.42Å; F253-E257 HydrophobicContact CD2-CG 4Å; F253-E257 HydrophobicContact CE1-CG 3.97Å; F253-E257 HydrophobicContact CE2-CG 3.52Å; F253-E257 HydrophobicContact CG-CG 4.45Å; F253-E257 HydrophobicContact CZ-CG 3.5Å; F253-E257 WeakPolarHBondContact O-CB 3.18Å; F253-E257 WeakPolarHBondContact O-CG 3.48Å; F253-E257 PolarHBondContact O-N 3.27Å; E257-R260 PolarHBondContact O-N 3.01Å; E257-R261 WeakPolarHBondContact O-CG 3.41Å; E257-R261 PolarHBondContact O-N 3.32Å; E257-R261 PolarHBondContact O-NH1 2.85Å; E257-R261 IonicContact OE2-NH1 2.91Å; E257-S270 VanDerWaalsContact OE1-CB 3.25Å; E257-S270 WeakPolarHBondContact OE1-CB 3.47Å; E257-S270 PolarHBondContact OE1-OG 3.41Å
258K93.9Very high90.3Very high124 Ų12465 Ų6554%0.53935%0.347SS..Hα-helixtrans-60.5-50.6175.2-175.4-176.5176.6-174.80111.4E254 D255 L256 R260 R261 D262E254-K258 WeakPolarHBondContact O-CB 3.39Å; E254-K258 PolarHBondContact O-N 3.36Å; D255-K258 PolarHBondContact O-N 3.44Å; L256-K258 VanDerWaalsContact C-N 3.33Å; L256-K258 PolarHBondContact O-N 3.07Å; K258-R260 VanDerWaalsContact C-N 3.27Å; K258-R260 PolarHBondContact O-N 2.8Å; K258-R261 PolarHBondContact O-N 3.08Å; K258-D262 PolarHBondContact O-N 3.01Å
259I93.1Very high90.3Very high35 Ų3564.8 Ų64.818%0.17935%0.354CS..Hα-helixtrans-57.7-41.9177.6-72.3166.3000111.3L228 P229 D255 L256 D262 S263L228-I259 HydrophobicContact CB-CD1 3.69Å; L228-I259 HydrophobicContact CD2-CD1 3.76Å; L228-I259 HydrophobicContact CG-CD1 3.75Å; P229-I259 HydrophobicContact CB-CG2 4.17Å; P229-I259 HydrophobicContact CG-CD1 4.03Å; P229-I259 HydrophobicContact CG-CG1 4.48Å; P229-I259 HydrophobicContact CG-CG2 4.32Å; D255-I259 WeakPolarHBondContact O-CG1 3.23Å; D255-I259 PolarHBondContact O-N 3.13Å; D255-I259 VanDerWaalsContact O-N 3.13Å; L256-I259 PolarHBondContact O-N 3.26Å; I259-D262 PolarHBondContact O-N 2.87Å; I259-S263 PolarHBondContact O-N 3.04Å; I259-S263 VanDerWaalsContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 2.72Å
260R93Very high90.2Very high23 Ų2365.4 Ų65.49%0.08736%0.359CS..Hα-helixtrans-70-36.6-177.3-74173.5176.8-162.1-11.2113.1L231 C233 L256 E257 K258 D262 S263 G268 S269 S270L231-R260 PolarHBondContact O-NH2 3.49Å; C233-R260 PolarHBondContact O-NH2 2.93Å; L256-R260 HydrophobicContact CD1-CG 4.47Å; L256-R260 WeakPolarHBondContact O-CB 3.37Å; L256-R260 VanDerWaalsContact O-CG 3.27Å; L256-R260 WeakPolarHBondContact O-CG 3.48Å; L256-R260 PolarHBondContact O-N 2.51Å; E257-R260 PolarHBondContact O-N 3.01Å; K258-R260 VanDerWaalsContact C-N 3.27Å; K258-R260 PolarHBondContact O-N 2.8Å; R260-D262 VanDerWaalsContact C-N 3.29Å; R260-D262 PolarHBondContact O-N 3.4Å; R260-S263 PolarHBondContact O-N 3.25Å; R260-G268 WeakPolarHBondContact CD-O 3.39Å; R260-G268 PolarHBondContact NE-O 3.44Å; R260-G268 PolarHBondContact NH1-O 2.91Å; R260-S269 PolarHBondContact NH1-O 2.95Å; R260-S270 WeakPolarHBondContact CD-OG 3.44Å; R260-S270 PolarHBondContact NH1-OG 2.97Å
261R91.2Very high90.3Very high158 Ų15864.4 Ų64.460%0.59636%0.358SS*.Hα-helixtrans-59.9-40.5170.2-73.8-171.1-62-89.23.6111.8E257 K258 S263E257-R261 WeakPolarHBondContact O-CG 3.41Å; E257-R261 PolarHBondContact O-N 3.32Å; E257-R261 PolarHBondContact O-NH1 2.85Å; E257-R261 IonicContact OE2-NH1 2.91Å; K258-R261 PolarHBondContact O-N 3.08Å; R261-S263 VanDerWaalsContact C-N 3.26Å; R261-S263 PolarHBondContact O-N 3.34Å
262D88.8Confident90.4Very high128 Ų12861.9 Ų61.968%0.68435%0.346SS*.Hα-helixtrans-73.7-18.3179.5-62.3-18.6000112.7K258 I259 R260 G264K258-D262 PolarHBondContact O-N 3.01Å; I259-D262 PolarHBondContact O-N 2.87Å; R260-D262 VanDerWaalsContact C-N 3.29Å; R260-D262 PolarHBondContact O-N 3.4Å; D262-G264 PolarHBondContact O-N 3.19Å
263S86.2Confident90.5Very high41 Ų4163 Ų6329%0.28735%0.353SS..THydrogen-bonded Turntrans-86.55.3-174.7-60.80000115.4I259 R260 R261 G265 Q266I259-S263 PolarHBondContact O-N 3.04Å; I259-S263 VanDerWaalsContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 2.72Å; R260-S263 PolarHBondContact O-N 3.25Å; R261-S263 VanDerWaalsContact C-N 3.26Å; R261-S263 PolarHBondContact O-N 3.34Å; S263-G265 PolarHBondContact O-N 3.02Å; S263-G265 VanDerWaalsContact O-N 3.1Å; S263-Q266 PolarHBondContact O-N 2.59Å
264G79.1Confident90.5Very high74 Ų7464.3 Ų64.376%0.76336%0.361SS*.THydrogen-bonded Turntrans6024.9172.100000115.9D262D262-G264 PolarHBondContact O-N 3.19Å
265G73.3Confident90.5Very high70 Ų7060.8 Ų60.872%0.72234%0.344SS*.THydrogen-bonded Turntrans89.88.5176.700000116.2S263 S267S263-G265 PolarHBondContact O-N 3.02Å; S263-G265 VanDerWaalsContact O-N 3.1Å; G265-S267 VanDerWaalsContact C-N 3.28Å; G265-S267 PolarHBondContact O-N 3.22Å
266Q74Confident90.4Very high168 Ų16863 Ų6379%0.78536%0.356SS*.  trans-81.90.3177.3-63.3-173.82.100114.7S263S263-Q266 PolarHBondContact O-N 2.59Å
267S83Confident90.1Very high28 Ų2868 Ų6820%0.19638%0.383CS..SBendtrans-116.6151.5-179.6-67.30000110.9G265G265-S267 VanDerWaalsContact C-N 3.28Å; G265-S267 PolarHBondContact O-N 3.22Å
268G86.4Confident90Very high21 Ų2166 Ų6622%0.21637%0.374CS..  trans-62.4166.8172.700000112.9K232 R260K232-G268 WeakPolarHBondContact O-CA 3.24Å; K232-G268 PolarHBondContact O-N 3.16Å; R260-G268 WeakPolarHBondContact CD-O 3.39Å; R260-G268 PolarHBondContact NE-O 3.44Å; R260-G268 PolarHBondContact NH1-O 2.91Å
269S92.2Very high89.8Confident64 Ų6460.3 Ų60.345%0.44835%0.35SS..  trans-71150.2178.854.50000112.2P234 V235 R260P234-S269 CarbonylContact C-O 3.59Å; P234-S269 VanDerWaalsContact CA-O 3.3Å; P234-S269 WeakPolarHBondContact CA-O 3.42Å; V235-S269 PolarHBondContact N-O 3.22Å; R260-S269 PolarHBondContact NH1-O 2.95Å
270S94.6Very high89.7Confident14 Ų1458.6 Ų58.610%0.09834%0.341CS..EExtended strand (participates in β ladder)trans-115.6134.5169.79.90000109.7V235 E257 R260V235-S270 CarbonylContact O-C 3.55Å; V235-S270 VanDerWaalsContact O-CA 3.29Å; V235-S270 WeakPolarHBondContact O-CA 3.3Å; E257-S270 VanDerWaalsContact OE1-CB 3.25Å; E257-S270 WeakPolarHBondContact OE1-CB 3.47Å; E257-S270 PolarHBondContact OE1-OG 3.41Å; R260-S270 WeakPolarHBondContact CD-OG 3.44Å; R260-S270 PolarHBondContact NH1-OG 2.97Å
271E97.2Very high89.8Confident71 Ų7157.5 Ų57.533%0.33234%0.337SS..EExtended strand (participates in β ladder)trans-124.5143.4176.4-67.8176.8-136.500108.9V235 L236 L237V235-E271 PolarHBondContact O-N 3.33Å; L236-E271 HydrophobicContact CD1-CB 3.72Å; L237-E271 PolarHBondContact N-O 3.29Å
272F98.2Very high90Very high36 Ų3650.6 Ų50.616%0.15831%0.312CS..EExtended strand (participates in β ladder)trans-129121.8177.9-177.4-98.8000110.3L237 T239 C249 R250 F253 M274L237-F272 HydrophobicContact CB-CD2 3.76Å; L237-F272 HydrophobicContact CB-CE2 4.42Å; L237-F272 WeakPolarHBondContact O-CA 3.3Å; T239-F272 HydrophobicContact CG2-CE2 4.06Å; T239-F272 HydrophobicContact CG2-CZ 3.63Å; C249-F272 HydrophobicContact CB-CE2 4.49Å; R250-F272 HydrophobicContact CB-CE1 4.42Å; R250-F272 HydrophobicContact CB-CE2 4.34Å; R250-F272 HydrophobicContact CB-CZ 3.88Å; R250-F272 HydrophobicContact CG-CZ 4.49Å; F253-F272 HydrophobicContact CB-CB 4.25Å; F253-F272 HydrophobicContact CB-CD2 3.76Å; F253-F272 HydrophobicContact CB-CE2 4.46Å; F253-F272 HydrophobicContact CB-CG 4.18Å; F253-F272 HydrophobicContact CD1-CB 3.65Å; F253-F272 HydrophobicContact CD1-CD2 4.4Å; F253-F272 AromaticContact CD1-CG 3.97Å; F253-F272 HydrophobicContact CD1-CG 3.97Å; F253-F272 HydrophobicContact CD2-CB 3.55Å; F253-F272 HydrophobicContact CD2-CG 4.38Å; F253-F272 HydrophobicContact CE1-CB 3.75Å; F253-F272 HydrophobicContact CE1-CG 4.44Å; F253-F272 HydrophobicContact CE2-CB 3.63Å; F253-F272 HydrophobicContact CG-CB 3.53Å; F253-F272 AromaticContact CG-CD2 4Å; F253-F272 HydrophobicContact CG-CD2 4Å; F253-F272 AromaticContact CG-CG 3.92Å; F253-F272 HydrophobicContact CG-CG 3.92Å; F253-F272 HydrophobicContact CZ-CB 3.73Å; F272-M274 HydrophobicContact CE1-CB 3.92Å; F272-M274 HydrophobicContact CZ-CB 4.48Å
273V98.3Very high90.2Very high35 Ų3545.8 Ų45.821%0.21229%0.287CS..EExtended strand (participates in β ladder)trans-117.7119.5178.8179.70000108.8L236 L237 I238 T239 I275L236-V273 HydrophobicContact CD1-CG2 3.88Å; L237-V273 PolarHBondContact O-N 3.29Å; I238-V273 CarbonylContact C-O 3.56Å; I238-V273 WeakPolarHBondContact CA-O 3.36Å; I238-V273 HydrophobicContact CG1-CB 4.41Å; T239-V273 PolarHBondContact N-O 2.91Å; V273-I275 HydrophobicContact CG1-CG1 4.15Å
274M97.8Very high90.5Very high69 Ų6944.3 Ų44.334%0.3428%0.275SS..EExtended strand (participates in β ladder)trans-106.3121.4170-164.31697200107.9T239 A241 F272T239-M274 HydrophobicContact CG2-CG 4.14Å; T239-M274 CarbonylContact O-C 3.51Å; T239-M274 WeakPolarHBondContact O-CA 3.06Å; A241-M274 HydrophobicContact CB-CG 4.27Å; F272-M274 HydrophobicContact CE1-CB 3.92Å; F272-M274 HydrophobicContact CZ-CB 4.48Å
275I96Very high91.2Very high14 Ų1444.7 Ų44.77%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-94.9122.5177.4-59.3170.9000107.4I238 T239 G240 A241 V273 V278 V281 R285 K288 V289I238-I275 HydrophobicContact CG2-CD1 4.05Å; T239-I275 PolarHBondContact O-N 2.83Å; G240-I275 CarbonylContact C-O 3.56Å; G240-I275 WeakPolarHBondContact CA-O 3.13Å; A241-I275 PolarHBondContact N-O 3.45Å; V273-I275 HydrophobicContact CG1-CG1 4.15Å; I275-V278 HydrophobicContact CB-CG2 3.78Å; I275-V278 HydrophobicContact CG2-CG2 3.53Å; I275-V278 WeakPolarHBondContact O-CG2 3.38Å; I275-V281 HydrophobicContact CB-CG1 4.14Å; I275-V281 HydrophobicContact CD1-CB 3.93Å; I275-V281 HydrophobicContact CD1-CG1 3.78Å; I275-V281 HydrophobicContact CG1-CG1 4.36Å; I275-R285 HydrophobicContact CG2-CB 4.1Å; I275-R285 HydrophobicContact CG2-CG 4.17Å; I275-K288 HydrophobicContact CD1-CB 3.68Å; I275-K288 HydrophobicContact CG1-CB 4.24Å; I275-V289 HydrophobicContact CD1-CG2 4.01Å
276D92.4Very high92.3Very high100 Ų10042.2 Ų42.254%0.53523%0.225SC..THydrogen-bonded Turntrans-68.5153.4-177.5-59.6-40000111.9V278D276-V278 PolarHBondContact O-N 2.92Å; D276-V278 VanDerWaalsContact O-N 3.1Å
277D89.6Confident93.3Very high107 Ų10735.8 Ų35.857%0.57220%0.196SC*.THydrogen-bonded Turntrans56.923.9170.8-50.3-42.1000116.5
278V91.4Very high94Very high7 Ų737.8 Ų37.84%0.04220%0.201CC..  trans-135.1149.9178.7-61.50000113.2G240 A241 L242 I275 D276 V281 E284 R285G240-V278 CarbonylContact C-O 3.6Å; G240-V278 VanDerWaalsContact C-O 3.23Å; G240-V278 WeakPolarHBondContact CA-O 3.36Å; A241-V278 PolarHBondContact N-O 2.92Å; L242-V278 WeakPolarHBondContact CA-O 3.43Å; L242-V278 WeakPolarHBondContact CB-O 3.46Å; L242-V278 PolarHBondContact N-O 3.42Å; I275-V278 HydrophobicContact CB-CG2 3.78Å; I275-V278 HydrophobicContact CG2-CG2 3.53Å; I275-V278 WeakPolarHBondContact O-CG2 3.38Å; D276-V278 PolarHBondContact O-N 2.92Å; D276-V278 VanDerWaalsContact O-N 3.1Å; V278-V281 HydrophobicContact CG2-CG1 3.84Å; V278-E284 HydrophobicContact CB-CB 4.18Å; V278-E284 HydrophobicContact CG1-CB 3.79Å; V278-R285 HydrophobicContact CG1-CG 3.58Å
279S89.2Confident94.5Very high3 Ų336.8 Ų36.82%0.02119%0.191CC..SBendtrans-105.6-41175.571.30000112.6F179 A243 E284F179-S279 WeakPolarHBondContact O-CB 3.16Å; F179-S279 PolarHBondContact O-OG 3.22Å; A243-S279 VanDerWaalsContact CB-O 3.3Å; A243-S279 WeakPolarHBondContact CB-O 3.39Å; S279-E284 PolarHBondContact N-OE2 3.36Å; S279-E284 PolarHBondContact OG-OE2 2.87Å
280N92.2Very high94.8Very high0 Ų033.8 Ų33.80%017%0.17CC..  trans-114.999.7174.3-167.3-62.5000110.6E115 R178 F179 L282 T283 E284E115-N280 PolarHBondContact OE1-ND2 3.17Å; R178-N280 PolarHBondContact O-ND2 2.96Å; F179-N280 HydrophobicContact CD1-CB 3.84Å; F179-N280 HydrophobicContact CE1-CB 4.17Å; N280-L282 VanDerWaalsContact C-N 3.29Å; N280-L282 PolarHBondContact O-N 3.2Å; N280-L282 PolarHBondContact OD1-N 2.93Å; N280-T283 PolarHBondContact O-N 2.98Å; N280-T283 PolarHBondContact OD1-N 2.73Å; N280-T283 PolarHBondContact OD1-OG1 3.09Å; N280-E284 PolarHBondContact N-OE2 3.42Å; N280-E284 WeakPolarHBondContact O-CB 3.38Å; N280-E284 WeakPolarHBondContact O-CG 3.38Å; N280-E284 PolarHBondContact O-N 3.18Å
281V95.1Very high94.9Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-65.8-27.9-174.5-62.10000114I139 I238 I275 V278 R285 V289I139-V281 HydrophobicContact CG2-CG2 3.44Å; I139-V281 VanDerWaalsContact CG2-CG2 3.44Å; I238-V281 HydrophobicContact CG2-CG2 4.24Å; I275-V281 HydrophobicContact CB-CG1 4.14Å; I275-V281 HydrophobicContact CD1-CB 3.93Å; I275-V281 HydrophobicContact CD1-CG1 3.78Å; I275-V281 HydrophobicContact CG1-CG1 4.36Å; V278-V281 HydrophobicContact CG2-CG1 3.84Å; V281-R285 CarbonylContact O-C 3.48Å; V281-R285 WeakPolarHBondContact O-CA 3.47Å; V281-R285 PolarHBondContact O-N 3.33Å; V281-R285 VanDerWaalsContact O-N 3.15Å; V281-V289 HydrophobicContact CB-CG2 3.77Å; V281-V289 HydrophobicContact CG2-CG2 3.81Å
282L95.5Very high94.9Very high13 Ų1331.8 Ų31.87%0.06816%0.162CC..Hα-helixtrans-74.8-38.3179.9-70.6-178.3000111.6Y49 F52 F113 E115 I139 N280 P286 V289Y49-L282 HydrophobicContact CD1-CD1 4.06Å; Y49-L282 HydrophobicContact CE1-CD1 3.96Å; F52-L282 HydrophobicContact CB-CD2 4.39Å; F52-L282 HydrophobicContact CD1-CD2 4.34Å; F52-L282 HydrophobicContact CD2-CD2 3.61Å; F52-L282 HydrophobicContact CE2-CD2 3.92Å; F52-L282 HydrophobicContact CG-CD2 3.85Å; F52-L282 HydrophobicContact CZ-CD2 4.4Å; F113-L282 HydrophobicContact CZ-CD2 4.11Å; E115-L282 WeakPolarHBondContact OE2-CD1 3.28Å; I139-L282 HydrophobicContact CD1-CD1 4.11Å; I139-L282 HydrophobicContact CD1-CD2 3.58Å; I139-L282 HydrophobicContact CD1-CG 3.9Å; N280-L282 VanDerWaalsContact C-N 3.29Å; N280-L282 PolarHBondContact O-N 3.2Å; N280-L282 PolarHBondContact OD1-N 2.93Å; L282-P286 WeakPolarHBondContact O-CB 3.43Å; L282-V289 HydrophobicContact CD2-CG1 4.03Å; L282-V289 HydrophobicContact CD2-CG2 4.4Å
283T92.5Very high94.8Very high26 Ų2630.1 Ų30.116%0.1616%0.155CC..Hα-helixtrans-78.1-50.7176.6-570000111.5A194 N280A194-T283 HydrophobicContact CB-CG2 3.51Å; N280-T283 PolarHBondContact O-N 2.98Å; N280-T283 PolarHBondContact OD1-N 2.73Å; N280-T283 PolarHBondContact OD1-OG1 3.09Å
284E93Very high94.7Very high10 Ų1028.6 Ų28.65%0.04715%0.145CC..Hα-helixtrans-85.3-35.6-167-61.3177.685.800112.7S187 L191 V278 S279 N280 P286S187-E284 PolarHBondContact OG-OE1 2.69Å; L191-E284 HydrophobicContact CB-CG 4.47Å; L191-E284 HydrophobicContact CD1-CG 4.29Å; V278-E284 HydrophobicContact CB-CB 4.18Å; V278-E284 HydrophobicContact CG1-CB 3.79Å; S279-E284 PolarHBondContact N-OE2 3.36Å; S279-E284 PolarHBondContact OG-OE2 2.87Å; N280-E284 PolarHBondContact N-OE2 3.42Å; N280-E284 WeakPolarHBondContact O-CB 3.38Å; N280-E284 WeakPolarHBondContact O-CG 3.38Å; N280-E284 PolarHBondContact O-N 3.18Å; E284-P286 VanDerWaalsContact C-CD 3.48Å
285R94.3Very high94.6Very high83 Ų8331.4 Ų31.431%0.31315%0.153SC..  trans-137.652.7-175-65.5-60.9-58.3-96.619.6113.3I275 V278 V281 D287 K288 V289I275-R285 HydrophobicContact CG2-CB 4.1Å; I275-R285 HydrophobicContact CG2-CG 4.17Å; V278-R285 HydrophobicContact CG1-CG 3.58Å; V281-R285 CarbonylContact O-C 3.48Å; V281-R285 WeakPolarHBondContact O-CA 3.47Å; V281-R285 PolarHBondContact O-N 3.33Å; V281-R285 VanDerWaalsContact O-N 3.15Å; R285-D287 WeakPolarHBondContact CA-OD1 3.02Å; R285-D287 IonicContact CZ-OD1 3.89Å; R285-D287 IonicContact CZ-OD2 2.67Å; R285-D287 IonicContact NE-OD1 3.65Å; R285-D287 PolarHBondContact NE-OD1 3.34Å; R285-D287 IonicContact NE-OD2 3.85Å; R285-D287 IonicContact NH2-OD1 3.18Å; R285-D287 IonicContact NH2-OD2 3.83Å; R285-D287 PolarHBondContact NH2-OD2 3.43Å; R285-D287 PolarHBondContact O-N 3.43Å; R285-D287 VanDerWaalsContact O-N 3.14Å; R285-K288 HydrophobicContact CB-CB 4.24Å; R285-K288 HydrophobicContact CB-CG 4.24Å; R285-K288 PolarHBondContact O-N 3.09Å; R285-V289 PolarHBondContact O-N 3.07Å
286P95.5Very high94.7Very high17 Ų1730.8 Ų30.811%0.1115%0.15CC..Hα-helixtrans-56.5-32.2176.224.2-34000111.4F52 L282 E284 K288 V289 V290F52-P286 HydrophobicContact CD2-CB 3.94Å; F52-P286 HydrophobicContact CE2-CB 4.38Å; L282-P286 WeakPolarHBondContact O-CB 3.43Å; E284-P286 VanDerWaalsContact C-CD 3.48Å; P286-K288 VanDerWaalsContact C-N 3.28Å; P286-K288 PolarHBondContact O-N 2.72Å; P286-V289 PolarHBondContact O-N 3.33Å; P286-V290 WeakPolarHBondContact O-CB 3.36Å; P286-V290 VanDerWaalsContact O-CG2 3.22Å; P286-V290 WeakPolarHBondContact O-CG2 3.32Å; P286-V290 PolarHBondContact O-N 3.49Å
287D95.6Very high94.9Very high34 Ų3426.1 Ų26.118%0.18213%0.125CC..Hα-helixtrans-56.6-37.9176.470.2-50.1000113.7K57 R285 D291K57-D287 HydrophobicContact CD-CB 4.07Å; K57-D287 WeakPolarHBondContact CD-O 3.13Å; K57-D287 PolarHBondContact NZ-O 3.27Å; R285-D287 WeakPolarHBondContact CA-OD1 3.02Å; R285-D287 IonicContact CZ-OD1 3.89Å; R285-D287 IonicContact CZ-OD2 2.67Å; R285-D287 IonicContact NE-OD1 3.65Å; R285-D287 PolarHBondContact NE-OD1 3.34Å; R285-D287 IonicContact NE-OD2 3.85Å; R285-D287 IonicContact NH2-OD1 3.18Å; R285-D287 IonicContact NH2-OD2 3.83Å; R285-D287 PolarHBondContact NH2-OD2 3.43Å; R285-D287 PolarHBondContact O-N 3.43Å; R285-D287 VanDerWaalsContact O-N 3.14Å; D287-D291 PolarHBondContact O-N 3.32Å
288K96.9Very high95.2Very high70 Ų7023.1 Ų23.130%0.30411%0.108SC..Hα-helixtrans-80.8-38.2179.8-66.2-62.4180176.70112.2I275 R285 P286 V290 D291 S292I275-K288 HydrophobicContact CD1-CB 3.68Å; I275-K288 HydrophobicContact CG1-CB 4.24Å; R285-K288 HydrophobicContact CB-CB 4.24Å; R285-K288 HydrophobicContact CB-CG 4.24Å; R285-K288 PolarHBondContact O-N 3.09Å; P286-K288 VanDerWaalsContact C-N 3.28Å; P286-K288 PolarHBondContact O-N 2.72Å; K288-V290 VanDerWaalsContact C-N 3.29Å; K288-V290 PolarHBondContact O-N 2.88Å; K288-D291 PolarHBondContact O-N 2.85Å; K288-S292 PolarHBondContact O-N 3.02Å; K288-S292 VanDerWaalsContact O-N 3.09Å; K288-S292 PolarHBondContact O-OG 2.82Å
289V98.1Very high95.3Very high0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-60.2-44172.8179.50000110.1F52 I139 I238 I275 V281 L282 R285 P286 D291 S292 M293F52-V289 HydrophobicContact CE2-CB 3.89Å; F52-V289 HydrophobicContact CE2-CG1 3.69Å; F52-V289 HydrophobicContact CZ-CB 4.4Å; F52-V289 HydrophobicContact CZ-CG1 3.76Å; I139-V289 HydrophobicContact CD1-CG1 4.17Å; I238-V289 HydrophobicContact CD1-CG1 3.99Å; I275-V289 HydrophobicContact CD1-CG2 4.01Å; V281-V289 HydrophobicContact CB-CG2 3.77Å; V281-V289 HydrophobicContact CG2-CG2 3.81Å; L282-V289 HydrophobicContact CD2-CG1 4.03Å; L282-V289 HydrophobicContact CD2-CG2 4.4Å; R285-V289 PolarHBondContact O-N 3.07Å; P286-V289 PolarHBondContact O-N 3.33Å; V289-D291 PolarHBondContact O-N 2.84Å; V289-S292 PolarHBondContact O-N 3.41Å; V289-M293 WeakPolarHBondContact O-CB 3.47Å; V289-M293 PolarHBondContact O-N 3.41Å
290V97.5Very high95.6Very high0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-63.1-40.7176.5174.50000112.1F52 K57 M58 I61 P286 K288 M293 Q294F52-V290 HydrophobicContact CE2-CG2 3.69Å; F52-V290 HydrophobicContact CZ-CG2 3.89Å; K57-V290 HydrophobicContact CB-CB 4.5Å; K57-V290 HydrophobicContact CB-CG1 4.18Å; K57-V290 HydrophobicContact CD-CB 4.28Å; K57-V290 HydrophobicContact CD-CG1 4.21Å; K57-V290 HydrophobicContact CG-CB 4.42Å; K57-V290 HydrophobicContact CG-CG1 3.91Å; K57-V290 WeakPolarHBondContact O-CG1 3.23Å; M58-V290 HydrophobicContact CB-CG2 3.89Å; M58-V290 HydrophobicContact CG-CG2 4.32Å; M58-V290 HydrophobicContact SD-CG1 4.32Å; M58-V290 HydrophobicContact SD-CG2 3.83Å; I61-V290 HydrophobicContact CD1-CG1 4.27Å; P286-V290 WeakPolarHBondContact O-CB 3.36Å; P286-V290 VanDerWaalsContact O-CG2 3.22Å; P286-V290 WeakPolarHBondContact O-CG2 3.32Å; P286-V290 PolarHBondContact O-N 3.49Å; K288-V290 VanDerWaalsContact C-N 3.29Å; K288-V290 PolarHBondContact O-N 2.88Å; V290-M293 PolarHBondContact O-N 3.17Å; V290-Q294 WeakPolarHBondContact O-CB 3.46Å; V290-Q294 PolarHBondContact O-N 3.41Å
291D95.9Very high95.7Very high23 Ų2330.5 Ų30.512%0.12318%0.175CC..Hα-helixtrans-58.7-54.4176.1-82.8-20.1000111.1K57 D287 K288 V289 M293 Q294 Y295 T311K57-D291 WeakPolarHBondContact CE-OD1 3.15Å; K57-D291 IonicContact NZ-OD1 2.78Å; K57-D291 PolarHBondContact NZ-OD1 3.5Å; K57-D291 IonicContact NZ-OD2 3.56Å; K57-D291 PolarHBondContact NZ-OD2 3.07Å; D287-D291 PolarHBondContact O-N 3.32Å; K288-D291 PolarHBondContact O-N 2.85Å; V289-D291 PolarHBondContact O-N 2.84Å; D291-M293 VanDerWaalsContact C-N 3.33Å; D291-M293 PolarHBondContact O-N 3.19Å; D291-Q294 PolarHBondContact O-N 2.72Å; D291-Y295 WeakPolarHBondContact O-CD2 3.27Å; D291-Y295 PolarHBondContact O-N 3.45Å; D291-T311 PolarHBondContact OD2-OG1 3.26Å
292S97.4Very high95.7Very high21 Ų2132 Ų3215%0.14718%0.183CC..Hα-helixtrans-61.4-42.4179.7-61.60000112K288 V289 Q294 Y295 F296K288-S292 PolarHBondContact O-N 3.02Å; K288-S292 VanDerWaalsContact O-N 3.09Å; K288-S292 PolarHBondContact O-OG 2.82Å; V289-S292 PolarHBondContact O-N 3.41Å; S292-Q294 PolarHBondContact O-N 2.98Å; S292-Y295 PolarHBondContact O-N 3.1Å; S292-F296 WeakPolarHBondContact O-CB 3.41Å; S292-F296 PolarHBondContact O-N 3.32Å
293M97.3Very high95.5Very high0 Ų032.6 Ų32.60%019%0.186CC..Hα-helixtrans-59.2-45.3174.5172.7172.1-168.800111.7F36 F52 M58 I61 W67 F113 I137 V289 V290 D291 F296 L297F36-M293 HydrophobicContact CD1-CE 3.91Å; F36-M293 HydrophobicContact CE1-CE 3.2Å; F36-M293 HydrophobicContact CE2-CE 4.11Å; F36-M293 HydrophobicContact CZ-CE 3.33Å; F52-M293 HydrophobicContact CE1-SD 4.34Å; F52-M293 HydrophobicContact CZ-SD 4.19Å; M58-M293 HydrophobicContact CE-CE 3.62Å; M58-M293 HydrophobicContact CE-SD 3.72Å; M58-M293 HydrophobicContact SD-SD 4.08Å; I61-M293 HydrophobicContact CD1-CG 4.4Å; I61-M293 HydrophobicContact CG2-CE 4.22Å; W67-M293 HydrophobicContact CH2-CE 3.91Å; W67-M293 HydrophobicContact CZ2-CE 3.8Å; F113-M293 HydrophobicContact CD2-CE 4.35Å; F113-M293 HydrophobicContact CD2-SD 4.35Å; F113-M293 HydrophobicContact CE2-SD 3.99Å; I137-M293 HydrophobicContact CD1-CB 4.33Å; I137-M293 HydrophobicContact CD1-CE 4.08Å; I137-M293 HydrophobicContact CD1-CG 3.73Å; I137-M293 HydrophobicContact CD1-SD 4.27Å; V289-M293 WeakPolarHBondContact O-CB 3.47Å; V289-M293 PolarHBondContact O-N 3.41Å; V290-M293 PolarHBondContact O-N 3.17Å; D291-M293 VanDerWaalsContact C-N 3.33Å; D291-M293 PolarHBondContact O-N 3.19Å; M293-F296 PolarHBondContact O-N 3.02Å; M293-L297 HydrophobicContact CE-CD1 3.78Å; M293-L297 HydrophobicContact CG-CD1 3.61Å; M293-L297 HydrophobicContact CG-CG 4.28Å; M293-L297 WeakPolarHBondContact O-CB 3.48Å; M293-L297 WeakPolarHBondContact O-CD1 3.38Å; M293-L297 WeakPolarHBondContact O-CG 3.4Å; M293-L297 PolarHBondContact O-N 3.21Å
294Q96.2Very high95.1Very high4 Ų435.1 Ų35.12%0.01920%0.204CC..Hα-helixtrans-63.4-46.5179.7-175.1170.9-10.900111.3I61 V290 D291 S292 F296 L297 Q298 K307 L308I61-Q294 HydrophobicContact CD1-CB 4.21Å; V290-Q294 WeakPolarHBondContact O-CB 3.46Å; V290-Q294 PolarHBondContact O-N 3.41Å; D291-Q294 PolarHBondContact O-N 2.72Å; S292-Q294 PolarHBondContact O-N 2.98Å; Q294-F296 PolarHBondContact O-N 3.35Å; Q294-L297 PolarHBondContact O-N 3.14Å; Q294-Q298 WeakPolarHBondContact O-CB 3.4Å; Q294-Q298 VanDerWaalsContact O-CG 3.25Å; Q294-Q298 WeakPolarHBondContact O-CG 3.32Å; Q294-Q298 PolarHBondContact O-N 3.23Å; Q294-K307 PolarHBondContact NE2-O 3.36Å; Q294-L308 HydrophobicContact CG-CD2 4.3Å
295Y96Very high94.6Very high128 Ų12841.7 Ų41.750%0.50224%0.24SC..Hα-helixtrans-59.6-46.8176.9-76.3-65.6000111.9D291 S292 Q298 G299 L308D291-Y295 WeakPolarHBondContact O-CD2 3.27Å; D291-Y295 PolarHBondContact O-N 3.45Å; S292-Y295 PolarHBondContact O-N 3.1Å; Y295-Q298 PolarHBondContact O-N 3.24Å; Y295-G299 PolarHBondContact O-N 3.16Å; Y295-L308 HydrophobicContact CD1-CD2 3.87Å; Y295-L308 HydrophobicContact CE1-CD1 3.69Å; Y295-L308 HydrophobicContact CE1-CD2 3.44Å; Y295-L308 VanDerWaalsContact CE1-CD2 3.44Å; Y295-L308 HydrophobicContact CE1-CG 4.22Å; Y295-L308 HydrophobicContact CE2-CD2 4.48Å
296F97.4Very high94.2Very high1 Ų138.5 Ų38.50%0.00423%0.229CC..Hα-helixtrans-61.2-48.5178.9173.3-102.7000112.3I137 P234 L236 S292 M293 Q294 Q298 G299 I300I137-F296 HydrophobicContact CD1-CD1 4.06Å; I137-F296 HydrophobicContact CD1-CE1 4.39Å; I137-F296 HydrophobicContact CG1-CD1 3.75Å; I137-F296 HydrophobicContact CG1-CE1 3.79Å; P234-F296 HydrophobicContact CB-CE2 3.81Å; P234-F296 HydrophobicContact CB-CZ 3.92Å; L236-F296 HydrophobicContact CB-CB 4.3Å; L236-F296 HydrophobicContact CB-CD1 4.2Å; L236-F296 HydrophobicContact CB-CD2 3.7Å; L236-F296 HydrophobicContact CB-CE1 4.46Å; L236-F296 HydrophobicContact CB-CE2 3.98Å; L236-F296 HydrophobicContact CB-CG 3.8Å; L236-F296 HydrophobicContact CB-CZ 4.35Å; L236-F296 HydrophobicContact CD2-CB 3.76Å; L236-F296 HydrophobicContact CD2-CG 4.1Å; S292-F296 WeakPolarHBondContact O-CB 3.41Å; S292-F296 PolarHBondContact O-N 3.32Å; M293-F296 PolarHBondContact O-N 3.02Å; Q294-F296 PolarHBondContact O-N 3.35Å; F296-Q298 VanDerWaalsContact C-N 3.3Å; F296-Q298 PolarHBondContact O-N 3.16Å; F296-G299 PolarHBondContact O-N 3.09Å; F296-G299 VanDerWaalsContact O-N 3.13Å; F296-I300 HydrophobicContact CE1-CD1 4.07Å; F296-I300 HydrophobicContact CE2-CG2 4.27Å; F296-I300 HydrophobicContact CZ-CD1 4.44Å; F296-I300 HydrophobicContact CZ-CG2 4.32Å; F296-I300 PolarHBondContact O-N 3.07Å
297L96.9Very high93.6Very high1 Ų146.8 Ų46.81%0.00526%0.263CS..Hα-helixtrans-59-43.1178.8-71.1168.5000111.4F36 I61 V111 M293 Q294 I300 G301 L302 L303F36-L297 HydrophobicContact CE1-CD1 4.23Å; F36-L297 HydrophobicContact CE1-CD2 3.93Å; F36-L297 HydrophobicContact CZ-CD1 3.69Å; F36-L297 HydrophobicContact CZ-CD2 3.82Å; F36-L297 HydrophobicContact CZ-CG 4.42Å; I61-L297 HydrophobicContact CD1-CD1 4.43Å; I61-L297 HydrophobicContact CG2-CD1 4.43Å; V111-L297 HydrophobicContact CG1-CD2 4.13Å; V111-L297 HydrophobicContact CG2-CD2 4.05Å; M293-L297 HydrophobicContact CE-CD1 3.78Å; M293-L297 HydrophobicContact CG-CD1 3.61Å; M293-L297 HydrophobicContact CG-CG 4.28Å; M293-L297 WeakPolarHBondContact O-CB 3.48Å; M293-L297 WeakPolarHBondContact O-CD1 3.38Å; M293-L297 WeakPolarHBondContact O-CG 3.4Å; M293-L297 PolarHBondContact O-N 3.21Å; Q294-L297 PolarHBondContact O-N 3.14Å; L297-I300 HydrophobicContact CD2-CD1 4.44Å; L297-I300 WeakPolarHBondContact O-CG1 3.15Å; L297-I300 PolarHBondContact O-N 3.46Å; L297-G301 PolarHBondContact O-N 2.86Å; L297-L302 CarbonylContact C-O 3.21Å; L297-L302 HydrophobicContact CB-CB 4.39Å; L297-L302 HydrophobicContact CD2-CB 4.46Å; L297-L302 HydrophobicContact CD2-CD1 4.15Å; L297-L302 CarbonylContact O-C 3.52Å; L297-L302 WeakPolarHBondContact O-CA 3.47Å; L297-L302 WeakPolarHBondContact O-CB 3.49Å; L297-L302 PolarHBondContact O-N 3.4Å; L297-L303 HydrophobicContact CD1-CD1 3.89Å
298Q95.4Very high92.7Very high45 Ų4548.7 Ų48.721%0.2127%0.273CS..Hα-helixtrans-66.6-38.8176.8-69.6-178.7-18.500112.1Q294 Y295 F296 I300 G301 L302 L303 L306Q294-Q298 WeakPolarHBondContact O-CB 3.4Å; Q294-Q298 VanDerWaalsContact O-CG 3.25Å; Q294-Q298 WeakPolarHBondContact O-CG 3.32Å; Q294-Q298 PolarHBondContact O-N 3.23Å; Y295-Q298 PolarHBondContact O-N 3.24Å; F296-Q298 VanDerWaalsContact C-N 3.3Å; F296-Q298 PolarHBondContact O-N 3.16Å; Q298-I300 VanDerWaalsContact C-N 3.27Å; Q298-I300 PolarHBondContact O-N 2.78Å; Q298-G301 PolarHBondContact O-N 2.91Å; Q298-L302 WeakPolarHBondContact CA-O 3.37Å; Q298-L302 PolarHBondContact N-O 3.06Å; Q298-L303 PolarHBondContact NE2-O 3.13Å; Q298-L306 PolarHBondContact NE2-O 3.4Å
299G94.6Very high91.5Very high67 Ų6748 Ų4869%0.69127%0.271SS*.Hα-helixtrans-60.4-33.7175.300000113.5Y295 F296 G301Y295-G299 PolarHBondContact O-N 3.16Å; F296-G299 PolarHBondContact O-N 3.09Å; F296-G299 VanDerWaalsContact O-N 3.13Å; G299-G301 VanDerWaalsContact C-N 3.32Å
300I95Very high89.7Confident42 Ų4257.1 Ų57.122%0.21531%0.311CS..THydrogen-bonded Turntrans-90.39.6174.668.7171000113.6V111 P234 F296 L297 Q298 L302V111-I300 HydrophobicContact CG2-CD1 4.49Å; P234-I300 HydrophobicContact CB-CG2 3.66Å; P234-I300 HydrophobicContact CG-CG2 3.72Å; F296-I300 HydrophobicContact CE1-CD1 4.07Å; F296-I300 HydrophobicContact CE2-CG2 4.27Å; F296-I300 HydrophobicContact CZ-CD1 4.44Å; F296-I300 HydrophobicContact CZ-CG2 4.32Å; F296-I300 PolarHBondContact O-N 3.07Å; L297-I300 HydrophobicContact CD2-CD1 4.44Å; L297-I300 WeakPolarHBondContact O-CG1 3.15Å; L297-I300 PolarHBondContact O-N 3.46Å; Q298-I300 VanDerWaalsContact C-N 3.27Å; Q298-I300 PolarHBondContact O-N 2.78Å; I300-L302 HydrophobicContact CD1-CD1 3.8Å; I300-L302 HydrophobicContact CD1-CG 4.28Å; I300-L302 HydrophobicContact CG1-CB 4.49Å; I300-L302 HydrophobicContact CG1-CD1 4.2Å; I300-L302 HydrophobicContact CG1-CG 4.14Å
301G94.6Very high87.7Confident55 Ų5559.8 Ų59.857%0.56733%0.327SS*.THydrogen-bonded Turntrans84.49.5175.200000115.6L297 Q298 G299L297-G301 PolarHBondContact O-N 2.86Å; Q298-G301 PolarHBondContact O-N 2.91Å; G299-G301 VanDerWaalsContact C-N 3.32Å
302L94.6Very high85.2Confident33 Ų3363.9 Ų63.917%0.17336%0.355CS..SBendtrans-96.3145.3176.2-59.9179.8000111.2P34 V111 L134 L297 Q298 I300 S304P34-L302 HydrophobicContact CB-CD1 4.18Å; V111-L302 HydrophobicContact CG2-CD1 3.45Å; V111-L302 VanDerWaalsContact CG2-CD1 3.45Å; L134-L302 HydrophobicContact CB-CD1 4.41Å; L134-L302 HydrophobicContact CD1-CD1 3.96Å; L134-L302 HydrophobicContact CD1-CD2 4.3Å; L297-L302 CarbonylContact C-O 3.21Å; L297-L302 HydrophobicContact CB-CB 4.39Å; L297-L302 HydrophobicContact CD2-CB 4.46Å; L297-L302 HydrophobicContact CD2-CD1 4.15Å; L297-L302 CarbonylContact O-C 3.52Å; L297-L302 WeakPolarHBondContact O-CA 3.47Å; L297-L302 WeakPolarHBondContact O-CB 3.49Å; L297-L302 PolarHBondContact O-N 3.4Å; Q298-L302 WeakPolarHBondContact CA-O 3.37Å; Q298-L302 PolarHBondContact N-O 3.06Å; I300-L302 HydrophobicContact CD1-CD1 3.8Å; I300-L302 HydrophobicContact CD1-CG 4.28Å; I300-L302 HydrophobicContact CG1-CB 4.49Å; I300-L302 HydrophobicContact CG1-CD1 4.2Å; I300-L302 HydrophobicContact CG1-CG 4.14Å; L302-S304 PolarHBondContact O-N 3.03Å
303L91.1Very high82.6Confident25 Ų2570.4 Ų70.413%0.13139%0.385CS..SBendtrans53.329.8175-53177.5000114.6P34 I61 R64 L297 Q298 N305 L306P34-L303 HydrophobicContact CG-CD2 3.93Å; P34-L303 HydrophobicContact CG-CG 4.24Å; I61-L303 HydrophobicContact CB-CD1 4.24Å; I61-L303 HydrophobicContact CG1-CD1 4.08Å; I61-L303 HydrophobicContact CG2-CD1 3.69Å; R64-L303 HydrophobicContact CB-CD2 3.76Å; L297-L303 HydrophobicContact CD1-CD1 3.89Å; Q298-L303 PolarHBondContact NE2-O 3.13Å; L303-N305 PolarHBondContact O-N 2.85Å; L303-N305 VanDerWaalsContact O-N 3.13Å; L303-L306 HydrophobicContact CB-CD1 3.85Å; L303-L306 HydrophobicContact CB-CG 4.19Å; L303-L306 HydrophobicContact CD1-CD1 4.02Å; L303-L306 HydrophobicContact CG-CD1 4.37Å; L303-L306 WeakPolarHBondContact O-CB 3.19Å; L303-L306 PolarHBondContact O-N 3.28Å
304S84Confident80Confident78 Ų7879.4 Ų79.455%0.54543%0.427SS..THydrogen-bonded Turntrans-56.7-29.2-178.454.20000114L302 L306L302-S304 PolarHBondContact O-N 3.03Å; S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 2.89Å
305N83.4Confident77.5Confident148 Ų14884.7 Ų84.779%0.79146%0.455SS*.THydrogen-bonded Turntrans-79.2-4.2179.1-64.5-33.7000114.2L303 K307L303-N305 PolarHBondContact O-N 2.85Å; L303-N305 VanDerWaalsContact O-N 3.13Å; N305-K307 PolarHBondContact O-N 2.97Å
306L84.5Confident74.9Confident17 Ų1785 Ų859%0.08947%0.465CS..SBendtrans-74.7125.3174-73-177.5000110.1P60 I61 Q298 L303 S304 L308P60-L306 HydrophobicContact CB-CD2 3.95Å; I61-L306 HydrophobicContact CG1-CD1 3.69Å; Q298-L306 PolarHBondContact NE2-O 3.4Å; L303-L306 HydrophobicContact CB-CD1 3.85Å; L303-L306 HydrophobicContact CB-CG 4.19Å; L303-L306 HydrophobicContact CD1-CD1 4.02Å; L303-L306 HydrophobicContact CG-CD1 4.37Å; L303-L306 WeakPolarHBondContact O-CB 3.19Å; L303-L306 PolarHBondContact O-N 3.28Å; S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 2.89Å; L306-L308 PolarHBondContact O-N 2.99Å
307K83.6Confident72.7Confident190 Ų19096.2 Ų96.283%0.82651%0.507SS*.PPolyproline II helixtrans-62133.4170.5-68.4-175.7178.7-179.80108.7Q294 N305 Q309Q294-K307 PolarHBondContact NE2-O 3.36Å; N305-K307 PolarHBondContact O-N 2.97Å; K307-Q309 PolarHBondContact O-N 3.39Å; K307-Q309 VanDerWaalsContact O-N 3.16Å
308L76.6Confident70.4Confident75 Ų75107.3 Ų107.339%0.39355%0.549SS..PPolyproline II helixtrans-57.2121.4170.5-73.3170.9000108.7Q294 Y295 L306 K310Q294-L308 HydrophobicContact CG-CD2 4.3Å; Y295-L308 HydrophobicContact CD1-CD2 3.87Å; Y295-L308 HydrophobicContact CE1-CD1 3.69Å; Y295-L308 HydrophobicContact CE1-CD2 3.44Å; Y295-L308 VanDerWaalsContact CE1-CD2 3.44Å; Y295-L308 HydrophobicContact CE1-CG 4.22Å; Y295-L308 HydrophobicContact CE2-CD2 4.48Å; L306-L308 PolarHBondContact O-N 2.99Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 3.29Å
309Q70.7Confident68Low56 Ų56110.5 Ų110.526%0.26257%0.565SS.*  trans-75.992.3176.2-64.4-17854.600106.8K57 K307 T311K57-Q309 HydrophobicContact CG-CB 4.4Å; K57-Q309 PolarHBondContact O-NE2 3.48Å; K57-Q309 PolarHBondContact O-OE1 2.77Å; K307-Q309 PolarHBondContact O-N 3.39Å; K307-Q309 VanDerWaalsContact O-N 3.16Å; Q309-T311 PolarHBondContact O-N 2.96Å
310K61.4Low66.4Low191 Ų191110 Ų11083%0.8355%0.551SS**  trans-63.3104178-66.4-176.3-179.8-177.10108.4L308 P312L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 3.29Å; K310-P312 WeakPolarHBondContact O-CD 3.08Å
311T54.5Low64.7Low55 Ų55115.6 Ų115.634%0.33758%0.578SS.*  trans-58.1120.5148.3-39.30000104.6K57 D291 Q309 M313K57-T311 PolarHBondContact NZ-OG1 3.22Å; D291-T311 PolarHBondContact OD2-OG1 3.26Å; Q309-T311 PolarHBondContact O-N 2.96Å; T311-M313 PolarHBondContact O-N 3.21Å
312P43.6Very low63.3Low110 Ų110119.5 Ų119.571%0.71458%0.582SS**  trans-54.7115.2178.219.6-28.8000106.7K310 Q314K310-P312 WeakPolarHBondContact O-CD 3.08Å; P312-Q314 PolarHBondContact O-N 3.01Å
313M42.8Very low62Low157 Ų157120.9 Ų120.977%0.77359%0.59SS**  trans-53.8118.8165.9-74.1-178.570.500104.3T311 L315T311-M313 PolarHBondContact O-N 3.21Å; M313-L315 HydrophobicContact CB-CG 4.27Å; M313-L315 PolarHBondContact O-N 3.27Å
314Q42.5Very low60.8Low189 Ų189127.9 Ų127.988%0.88362%0.615SS**  trans-64.875.9158.4-74.3-175.7-16.300105.5P312 N316P312-Q314 PolarHBondContact O-N 3.01Å; Q314-N316 VanDerWaalsContact C-N 3.25Å; Q314-N316 PolarHBondContact O-N 2.84Å
315L43.5Very low60.1Low115 Ų115130.6 Ų130.660%0.60262%0.624SS**  trans-55.9106.3157.4-77.8162.9000102.8M313 R317M313-L315 HydrophobicContact CB-CG 4.27Å; M313-L315 PolarHBondContact O-N 3.27Å; L315-R317 PolarHBondContact O-N 3.35Å
316N43Very low59.3Low135 Ų135131.3 Ų131.372%0.72262%0.616SS**  trans-59.685.3169.2-120-13.5000105.4Q314 R318 M319Q314-N316 VanDerWaalsContact C-N 3.25Å; Q314-N316 PolarHBondContact O-N 2.84Å; N316-R318 PolarHBondContact O-N 3.21Å; N316-M319 PolarHBondContact O-N 3.35Å
317R50.3Low57.6Low236 Ų236136 Ų13689%0.89165%0.647SS**THydrogen-bonded Turntrans-6816.9-174.6-111.8-177.5179.1-175.5-0.9112.2L315L315-R317 PolarHBondContact O-N 3.35Å
318R48.4Very low56.1Low234 Ų234135.1 Ų135.188%0.88365%0.651SS**THydrogen-bonded Turntrans-103.2-5.4179.2-73.3-170.1167.2-163.6-2.7113.8N316 S320N316-R318 PolarHBondContact O-N 3.21Å; R318-S320 PolarHBondContact O-N 2.8Å
319M46.5Very low54.4Low112 Ų112133.8 Ų133.855%0.55266%0.655SS**SBendtrans-74.3120.2166.6-71.9-164.1-44.400109N316 D323 Y324N316-M319 PolarHBondContact O-N 3.35Å; M319-D323 HydrophobicContact CB-CB 4.28Å; M319-Y324 HydrophobicContact CE-CE2 4.16Å
320S59.6Low53.3Low57 Ų57140.7 Ų140.740%0.39968%0.684SS.*  trans-64.8153.9171.4177.40000108.8R318 E322 D323R318-S320 PolarHBondContact O-N 2.8Å; S320-E322 PolarHBondContact O-N 2.89Å; S320-D323 PolarHBondContact N-OD2 3.17Å; S320-D323 WeakPolarHBondContact O-CB 3.13Å; S320-D323 PolarHBondContact O-N 3.39Å
321M60.5Low52.7Low159 Ų159136.7 Ų136.778%0.78368%0.676SS**Hα-helixtrans-54.6-27.8175-152.2174.184.700111.6D323 Y324M321-D323 VanDerWaalsContact C-N 3.28Å; M321-D323 PolarHBondContact O-N 3.44Å; M321-Y324 PolarHBondContact O-N 3.18Å
322E64.9Low52.2Low137 Ų137141.3 Ų141.364%0.6469%0.693SS**Hα-helixtrans-65.8-24.2175.2-65.3171.6158.300114S320S320-E322 PolarHBondContact O-N 2.89Å
323D66.7Low52Low63 Ų63144 Ų14434%0.33769%0.694SS.*Hα-helixtrans-78.5-21.6178.3-68.4-44.8000112.2M319 S320 M321 R326M319-D323 HydrophobicContact CB-CB 4.28Å; S320-D323 PolarHBondContact N-OD2 3.17Å; S320-D323 WeakPolarHBondContact O-CB 3.13Å; S320-D323 PolarHBondContact O-N 3.39Å; M321-D323 VanDerWaalsContact C-N 3.28Å; M321-D323 PolarHBondContact O-N 3.44Å; D323-R326 IonicContact OD1-CZ 3.76Å; D323-R326 IonicContact OD1-NH1 3.08Å; D323-R326 PolarHBondContact OD1-NH1 3.2Å; D323-R326 VanDerWaalsContact OD1-NH1 3.08Å
324Y66.5Low51.9Low171 Ų171141.2 Ų141.267%0.67169%0.686SS**Hα-helixtrans-70.6-33.2176.8-97.3-86.5000112.9M319 M321 R326M319-Y324 HydrophobicContact CE-CE2 4.16Å; M321-Y324 PolarHBondContact O-N 3.18Å; Y324-R326 VanDerWaalsContact C-N 3.33Å
325D69.3Low51.9Low136 Ų136135.2 Ų135.273%0.72767%0.665SS**SBendtrans-85.9-6.9-176-72.9-23000112.9P327D325-P327 VanDerWaalsContact O-CD 3.31Å; D325-P327 WeakPolarHBondContact O-CD 3.28Å
326R67Low51.7Low162 Ų162139.9 Ų139.961%0.61167%0.674SS**SBendtrans-74.1118.4177.1-73.7179179.9164.8-2.1109.2D323 Y324 L328D323-R326 IonicContact OD1-CZ 3.76Å; D323-R326 IonicContact OD1-NH1 3.08Å; D323-R326 PolarHBondContact OD1-NH1 3.2Å; D323-R326 VanDerWaalsContact OD1-NH1 3.08Å; Y324-R326 VanDerWaalsContact C-N 3.33Å; R326-L328 PolarHBondContact O-N 3.39Å
327P47.7Very low51.4Low117 Ų117139.1 Ų139.176%0.7667%0.67SS**  trans-57.7133175.722.3-30.7000109D325 G329D325-P327 VanDerWaalsContact O-CD 3.31Å; D325-P327 WeakPolarHBondContact O-CD 3.28Å; P327-G329 PolarHBondContact O-N 3.24Å
328L52.2Low51.2Low171 Ų171132 Ų13290%0.89566%0.656SS**  trans-66.570.3179.3-72.3160.4000110.3R326R326-L328 PolarHBondContact O-N 3.39Å
329G41.1Very low50.9Low47 Ų47129 Ų12949%0.48565%0.652SS.*  trans-122.397.6-17700000110.3P327 T331P327-G329 PolarHBondContact O-N 3.24Å; G329-T331 VanDerWaalsContact C-N 3.31Å; G329-T331 PolarHBondContact O-N 3.05Å
330K47.4Very low50.5Low200 Ų200131.6 Ų131.687%0.8766%0.663SS**SBendtrans60.5-3.8162-65.1-171.9177-178.30120.8
331T49.6Very low49.4Very low108 Ų108134.3 Ų134.366%0.66368%0.676SS**G310 helixtrans-83.9-15.3178.842.50000115.4G329 F333 V334G329-T331 VanDerWaalsContact C-N 3.31Å; G329-T331 PolarHBondContact O-N 3.05Å; T331-F333 PolarHBondContact O-N 3.12Å; T331-F333 VanDerWaalsContact O-N 3.16Å; T331-V334 PolarHBondContact O-N 3.13Å
332H43.6Very low48.4Very low151 Ų151132.2 Ų132.270%0.69968%0.675SS**G310 helixtrans-68.6-12.3178.4-103.5-74.5000115
333F38.8Very low47.1Very low168 Ų168134 Ų13474%0.73768%0.683SS**G310 helixtrans-90.6-22.2178.5-138.9-94.1000113.2T331T331-F333 PolarHBondContact O-N 3.12Å; T331-F333 VanDerWaalsContact O-N 3.16Å
334V40.4Very low45.6Very low97 Ų97139.5 Ų139.559%0.58871%0.707SS**THydrogen-bonded Turntrans-86.6-33.9-172.7-171.60000112T331 R336 L337 S338T331-V334 PolarHBondContact O-N 3.13Å; V334-R336 VanDerWaalsContact C-N 3.28Å; V334-R336 PolarHBondContact O-N 3.34Å; V334-L337 PolarHBondContact O-N 3.4Å; V334-L337 VanDerWaalsContact O-N 3.15Å; V334-S338 PolarHBondContact O-N 2.82Å
335S42.9Very low44.5Very low64 Ų64138.7 Ų138.745%0.44871%0.714SS.*THydrogen-bonded Turntrans-68.8-22.3-176.560.50000114.4S338S335-S338 PolarHBondContact O-OG 2.7Å
336R38.7Very low42.8Very low213 Ų213138.2 Ų138.280%0.80472%0.716SS**THydrogen-bonded Turntrans-78.8-25173.6-79.3-168.7178.9-171.8-0.1113.5V334V334-R336 VanDerWaalsContact C-N 3.28Å; V334-R336 PolarHBondContact O-N 3.34Å
337L37.5Very low41.6Very low119 Ų119140.9 Ų140.962%0.62375%0.751SS**THydrogen-bonded Turntrans-83.8-29.1179.4-73.7166.6000112.3V334 Q339V334-L337 PolarHBondContact O-N 3.4Å; V334-L337 VanDerWaalsContact O-N 3.15Å; L337-Q339 VanDerWaalsContact C-N 3.33Å; L337-Q339 PolarHBondContact O-N 2.72Å
338S46.6Very low41.3Very low86 Ų86142.1 Ų142.160%0.60175%0.75SS**THydrogen-bonded Turntrans-78.3-11.2-178.359.40000114.7V334 S335V334-S338 PolarHBondContact O-N 2.82Å; S335-S338 PolarHBondContact O-OG 2.7Å
339Q42.7Very low40.7Very low171 Ų171140.5 Ų140.580%0.79974%0.743SS**THydrogen-bonded Turntrans-94.83.6179.5-70.5-171.1-15.700114.2L337L337-Q339 VanDerWaalsContact C-N 3.33Å; L337-Q339 PolarHBondContact O-N 2.72Å
340Q37Very low40.7Very low167 Ų167145.7 Ų145.778%0.7876%0.757SS**SBendtrans-113.912-178-78.4-169.9-12.300115.4
341V37.2Very low40.3Very low113 Ų113142.5 Ų142.569%0.68575%0.75SS**  trans-110.4105.8170.2-171.80000108.8E343V341-E343 PolarHBondContact O-N 3.13Å
342P38.3Very low39.7Very low115 Ų115144.7 Ų144.775%0.74776%0.756SS**  trans-66.5118.3169.2-9.424.6000108.2E344P342-E344 PolarHBondContact O-N 3.49Å
343E38.9Very low39.5Very low174 Ų174144.3 Ų144.381%0.81376%0.76SS**  trans-65.7113.1169.6-74.9-178.9157.100109V341 N345V341-E343 PolarHBondContact O-N 3.13Å; E343-N345 PolarHBondContact O-N 2.84Å; E343-N345 VanDerWaalsContact O-N 3.07Å
344E34.7Very low39.5Very low180 Ų180142.6 Ų142.684%0.84176%0.761SS**  trans-60.3102164.5-76.6-179.6149.600109P342 T346P342-E344 PolarHBondContact O-N 3.49Å; E344-T346 PolarHBondContact O-N 3.35Å; E344-T346 VanDerWaalsContact O-N 3.09Å
345N43.5Very low39.5Very low154 Ų154146.1 Ų146.182%0.82478%0.775SS**  trans-76.399.7167-86.4-22.2000109.5E343E343-N345 PolarHBondContact O-N 2.84Å; E343-N345 VanDerWaalsContact O-N 3.07Å
346T32.7Very low39.2Very low125 Ų125152.9 Ų152.977%0.76780%0.802SS**  trans-68.5118.5159.630.90000109.9E344E344-T346 PolarHBondContact O-N 3.35Å; E344-T346 VanDerWaalsContact O-N 3.09Å
347T42.6Very low39.2Very low218 Ų218147.5 Ų147.5100%1.33780%0.802SS**  trans-161.20134.4300000108.6

Retrieved 347 of 347 residues in 1200.2 ms (Link to these results)

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