A0A077Z903_TRITR Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z903, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 303 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
1M43.1Very low48.2Very low226 Ų226125.8 Ų125.8100%1.11360%0.604SS**  0-14.80-111.1176160.800114.7
2Q37.4Very low49Very low176 Ų176123.9 Ų123.982%0.82259%0.591SS**THydrogen-bonded Turntrans-79.1-23.9176.6-86.6160.9-27.700114.9N4 R5Q2-N4 PolarHBondContact O-N 3.29Å; Q2-N4 VanDerWaalsContact O-N 3.17Å; Q2-R5 PolarHBondContact O-N 3.22Å
3T41Very low49.7Very low125 Ų125125.2 Ų125.277%0.76759%0.593SS**Hα-helixtrans-65.8-15.1-18037.80000114.9
4N50.1Low50.4Low102 Ų102122 Ų12255%0.54558%0.577SS.*Hα-helixtrans-86.1-29.2179.5-109.8-7.4000114.1Q2 I8Q2-N4 PolarHBondContact O-N 3.29Å; Q2-N4 VanDerWaalsContact O-N 3.17Å; N4-I8 WeakPolarHBondContact O-CB 3.22Å; N4-I8 VanDerWaalsContact O-CD1 3.31Å; N4-I8 WeakPolarHBondContact O-CD1 3.46Å; N4-I8 WeakPolarHBondContact O-CG1 3.22Å; N4-I8 PolarHBondContact O-N 2.99Å; N4-I8 VanDerWaalsContact O-N 3.12Å
5R41.6Very low50.8Low205 Ų205115.9 Ų115.977%0.77455%0.547SS*.Hα-helixtrans-76.1-38.7-172.3-79.5-173.3175.6-178.4-0.6112.9Q2 I8 R9Q2-R5 PolarHBondContact O-N 3.22Å; R5-I8 PolarHBondContact O-N 3.14Å; R5-R9 PolarHBondContact O-N 3.21Å
6T44.4Very low51.5Low89 Ų89114.7 Ų114.755%0.54655%0.545SS..Hα-helixtrans-68.6-41.7178.6-36.80000111.1I8 R9 N10T6-I8 PolarHBondContact O-N 3Å; T6-R9 PolarHBondContact O-N 3.42Å; T6-N10 PolarHBondContact O-N 2.94Å
7D54.4Low52.3Low74 Ų74113.8 Ų113.840%0.39654%0.542SS..Hα-helixtrans-62.7-42176-172.213.9000111R11D7-R11 WeakPolarHBondContact O-CB 3.35Å; D7-R11 WeakPolarHBondContact O-CG 3.46Å; D7-R11 PolarHBondContact O-N 2.78Å; D7-R11 PolarHBondContact O-NE 3.44Å; D7-R11 IonicContact OD1-CZ 3.3Å; D7-R11 VanDerWaalsContact OD1-CZ 3.3Å; D7-R11 IonicContact OD1-NE 3.79Å; D7-R11 IonicContact OD1-NH1 3.13Å; D7-R11 PolarHBondContact OD1-NH1 3.3Å; D7-R11 VanDerWaalsContact OD1-NH1 3.13Å; D7-R11 IonicContact OD1-NH2 3.64Å; D7-R11 IonicContact OD2-CZ 3.07Å; D7-R11 IonicContact OD2-NH1 2.73Å; D7-R11 PolarHBondContact OD2-NH1 2.95Å; D7-R11 IonicContact OD2-NH2 2.83Å; D7-R11 PolarHBondContact OD2-NH2 3.25Å
8I51.7Low53Low67 Ų67107.4 Ų107.434%0.34451%0.512SS..Hα-helixtrans-62.3-45.7172.6-69.3167.1000112.4N4 R5 T6 R11 F12N4-I8 WeakPolarHBondContact O-CB 3.22Å; N4-I8 VanDerWaalsContact O-CD1 3.31Å; N4-I8 WeakPolarHBondContact O-CD1 3.46Å; N4-I8 WeakPolarHBondContact O-CG1 3.22Å; N4-I8 PolarHBondContact O-N 2.99Å; N4-I8 VanDerWaalsContact O-N 3.12Å; R5-I8 PolarHBondContact O-N 3.14Å; T6-I8 PolarHBondContact O-N 3Å; I8-R11 WeakPolarHBondContact O-CB 3.46Å; I8-R11 PolarHBondContact O-N 3.31Å; I8-F12 HydrophobicContact CG2-CD2 3.62Å; I8-F12 HydrophobicContact CG2-CE2 3.24Å; I8-F12 HydrophobicContact CG2-CZ 4.3Å; I8-F12 WeakPolarHBondContact O-CD2 3.24Å; I8-F12 PolarHBondContact O-N 3.14Å
9R51.1Low53.6Low192 Ų192104.1 Ų104.173%0.72550%0.496SS*.Hα-helixtrans-64.6-41.7179.3-81.6-175.9175.2174.3-2112.7R5 T6 R11 F12 K13R5-R9 PolarHBondContact O-N 3.21Å; T6-R9 PolarHBondContact O-N 3.42Å; R9-R11 VanDerWaalsContact C-N 3.35Å; R9-F12 PolarHBondContact O-N 2.86Å; R9-K13 PolarHBondContact O-N 3.1Å; R9-K13 VanDerWaalsContact O-N 3.12Å
10N57.8Low54.3Low82 Ų82107.8 Ų107.844%0.43951%0.505SS..Hα-helixtrans-66.7-39.1176.3-72.5-10.6000111.1T6 F12 K13 E14T6-N10 PolarHBondContact O-N 2.94Å; N10-F12 VanDerWaalsContact C-N 3.33Å; N10-F12 PolarHBondContact O-N 3.34Å; N10-K13 PolarHBondContact O-N 3.11Å; N10-K13 VanDerWaalsContact O-N 3.12Å; N10-E14 PolarHBondContact O-N 3.37Å
11R58.2Low54.8Low46 Ų46104.3 Ų104.317%0.17449%0.489CS..Hα-helixtrans-54.8-47.3170.4-79.7-173.9-85.3-109.81.1112D7 I8 R9 K13 E14 W15 F116D7-R11 WeakPolarHBondContact O-CB 3.35Å; D7-R11 WeakPolarHBondContact O-CG 3.46Å; D7-R11 PolarHBondContact O-N 2.78Å; D7-R11 PolarHBondContact O-NE 3.44Å; D7-R11 IonicContact OD1-CZ 3.3Å; D7-R11 VanDerWaalsContact OD1-CZ 3.3Å; D7-R11 IonicContact OD1-NE 3.79Å; D7-R11 IonicContact OD1-NH1 3.13Å; D7-R11 PolarHBondContact OD1-NH1 3.3Å; D7-R11 VanDerWaalsContact OD1-NH1 3.13Å; D7-R11 IonicContact OD1-NH2 3.64Å; D7-R11 IonicContact OD2-CZ 3.07Å; D7-R11 IonicContact OD2-NH1 2.73Å; D7-R11 PolarHBondContact OD2-NH1 2.95Å; D7-R11 IonicContact OD2-NH2 2.83Å; D7-R11 PolarHBondContact OD2-NH2 3.25Å; I8-R11 WeakPolarHBondContact O-CB 3.46Å; I8-R11 PolarHBondContact O-N 3.31Å; R9-R11 VanDerWaalsContact C-N 3.35Å; R11-K13 VanDerWaalsContact C-N 3.31Å; R11-K13 PolarHBondContact O-N 3.39Å; R11-E14 PolarHBondContact O-N 3.2Å; R11-W15 WeakPolarHBondContact O-CB 3.19Å; R11-W15 PolarHBondContact O-N 2.87Å; R11-F116 HydrophobicContact CG-CE1 4.22Å; R11-F116 HydrophobicContact CG-CE2 4.22Å; R11-F116 HydrophobicContact CG-CZ 3.65Å
12F57.5Low55.8Low103 Ų10393.5 Ų93.545%0.45244%0.436SS..Hα-helixtrans-63.3-34.9177.6-76.3-62.2000113.2I8 R9 N10 W15 N16I8-F12 HydrophobicContact CG2-CD2 3.62Å; I8-F12 HydrophobicContact CG2-CE2 3.24Å; I8-F12 HydrophobicContact CG2-CZ 4.3Å; I8-F12 WeakPolarHBondContact O-CD2 3.24Å; I8-F12 PolarHBondContact O-N 3.14Å; R9-F12 PolarHBondContact O-N 2.86Å; N10-F12 VanDerWaalsContact C-N 3.33Å; N10-F12 PolarHBondContact O-N 3.34Å; F12-W15 HydrophobicContact CD1-CE3 4.11Å; F12-W15 HydrophobicContact CE1-CE3 4.17Å; F12-W15 HydrophobicContact CE1-CZ3 4.18Å; F12-W15 PolarHBondContact O-N 2.82Å; F12-N16 PolarHBondContact O-N 3.26Å; F12-N16 PolarHBondContact O-ND2 2.62Å; F12-N16 PolarHBondContact O-OD1 3.07Å
13K58.5Low56.9Low141 Ų14188.8 Ų88.861%0.61342%0.416SS*.Hα-helixtrans-65.6-46.7174.3-72.9-175.8176.7-175.80112.1R9 N10 R11 W15 N16 I17R9-K13 PolarHBondContact O-N 3.1Å; R9-K13 VanDerWaalsContact O-N 3.12Å; N10-K13 PolarHBondContact O-N 3.11Å; N10-K13 VanDerWaalsContact O-N 3.12Å; R11-K13 VanDerWaalsContact C-N 3.31Å; R11-K13 PolarHBondContact O-N 3.39Å; K13-W15 VanDerWaalsContact C-N 3.29Å; K13-W15 PolarHBondContact O-N 3.26Å; K13-N16 PolarHBondContact O-N 2.95Å; K13-I17 WeakPolarHBondContact O-CG1 3.4Å; K13-I17 PolarHBondContact O-N 2.81Å
14E58.9Low57.8Low80 Ų8087 Ų8737%0.37440%0.399SS..Hα-helixtrans-64.1-36.9176.8-70.4-177.2-171.200111.6N10 R11 I17 A18 F116N10-E14 PolarHBondContact O-N 3.37Å; R11-E14 PolarHBondContact O-N 3.2Å; E14-I17 PolarHBondContact O-N 3.1Å; E14-A18 PolarHBondContact O-N 3.4Å; E14-F116 HydrophobicContact CB-CB 4.5Å; E14-F116 WeakPolarHBondContact OE2-CD2 3.42Å
15W56.9Low58.3Low31 Ų3182.4 Ų82.412%0.11737%0.374CS..Hα-helixtrans-60.1-50.6172.9-73.216.9000111R11 F12 K13 I17 A18 E19 F116 A184 N186R11-W15 WeakPolarHBondContact O-CB 3.19Å; R11-W15 PolarHBondContact O-N 2.87Å; F12-W15 HydrophobicContact CD1-CE3 4.11Å; F12-W15 HydrophobicContact CE1-CE3 4.17Å; F12-W15 HydrophobicContact CE1-CZ3 4.18Å; F12-W15 PolarHBondContact O-N 2.82Å; K13-W15 VanDerWaalsContact C-N 3.29Å; K13-W15 PolarHBondContact O-N 3.26Å; W15-I17 PolarHBondContact O-N 2.71Å; W15-A18 WeakPolarHBondContact O-CB 3.46Å; W15-A18 PolarHBondContact O-N 2.85Å; W15-E19 WeakPolarHBondContact O-CB 3.47Å; W15-E19 WeakPolarHBondContact O-CG 3.07Å; W15-E19 PolarHBondContact O-N 3.01Å; W15-F116 AromaticContact CD1-CD1 3.74Å; W15-F116 AromaticContact NE1-CD1 3.24Å; W15-F116 AromaticContact NE1-CE1 3.46Å; W15-A184 WeakPolarHBondContact CH2-O 3.44Å; W15-A184 WeakPolarHBondContact CZ2-O 3.18Å; W15-N186 HydrophobicContact CZ3-CB 3.96Å
16N62Low59.1Low96 Ų9674.6 Ų74.651%0.51335%0.349SS..Hα-helixtrans-58.1-35.6-179.6-68.5-11.3000112.6F12 K13 R20F12-N16 PolarHBondContact O-N 3.26Å; F12-N16 PolarHBondContact O-ND2 2.62Å; F12-N16 PolarHBondContact O-OD1 3.07Å; K13-N16 PolarHBondContact O-N 2.95Å; N16-R20 WeakPolarHBondContact O-CB 3.18Å; N16-R20 PolarHBondContact O-N 2.85Å; N16-R20 VanDerWaalsContact O-N 3.08Å
17I65.1Low59.7Low99 Ų9981 Ų8151%0.50836%0.364SS..Hα-helixtrans-68-48.5174.9-63.9168.7000110.3K13 E14 W15 E19 R20 L21K13-I17 WeakPolarHBondContact O-CG1 3.4Å; K13-I17 PolarHBondContact O-N 2.81Å; E14-I17 PolarHBondContact O-N 3.1Å; W15-I17 PolarHBondContact O-N 2.71Å; I17-E19 VanDerWaalsContact C-N 3.29Å; I17-E19 PolarHBondContact O-N 3.24Å; I17-R20 PolarHBondContact O-N 3.02Å; I17-L21 HydrophobicContact CG2-CD1 4Å; I17-L21 HydrophobicContact CG2-CG 4.49Å; I17-L21 WeakPolarHBondContact O-CG 3.36Å; I17-L21 PolarHBondContact O-N 3.29Å
18A63.7Low59.9Low0 Ų080.5 Ų80.50%037%0.37CS..Hα-helixtrans-60-40.9178.500000112E14 W15 L21 L22 N117 Y230E14-A18 PolarHBondContact O-N 3.4Å; W15-A18 WeakPolarHBondContact O-CB 3.46Å; W15-A18 PolarHBondContact O-N 2.85Å; A18-L21 PolarHBondContact O-N 3.49Å; A18-L22 VanDerWaalsContact O-CB 3.31Å; A18-L22 WeakPolarHBondContact O-CB 3.49Å; A18-L22 PolarHBondContact O-N 3.27Å; A18-N117 VanDerWaalsContact CB-OD1 3.22Å; A18-N117 WeakPolarHBondContact CB-OD1 3.15Å; A18-Y230 HydrophobicContact CB-CD1 4.34Å; A18-Y230 HydrophobicContact CB-CD2 4.21Å; A18-Y230 HydrophobicContact CB-CE1 3.9Å; A18-Y230 HydrophobicContact CB-CE2 3.85Å; A18-Y230 HydrophobicContact CB-CG 4.5Å
19E65.7Low60.5Low44 Ų4480 Ų8021%0.20638%0.376CS..Hα-helixtrans-61.6-44.6175.9-73.5-165.8145.600112.2W15 I17 L22 L23 S228 Y230W15-E19 WeakPolarHBondContact O-CB 3.47Å; W15-E19 WeakPolarHBondContact O-CG 3.07Å; W15-E19 PolarHBondContact O-N 3.01Å; I17-E19 VanDerWaalsContact C-N 3.29Å; I17-E19 PolarHBondContact O-N 3.24Å; E19-L22 PolarHBondContact O-N 2.67Å; E19-L23 WeakPolarHBondContact O-CG 3.28Å; E19-L23 PolarHBondContact O-N 3.45Å; E19-S228 VanDerWaalsContact CG-OG 3.23Å; E19-S228 WeakPolarHBondContact CG-OG 3.31Å; E19-S228 PolarHBondContact OE1-OG 3.17Å; E19-Y230 HydrophobicContact CG-CG 4.34Å
20R67Low61.2Low177 Ų17771.6 Ų71.667%0.66835%0.345SS*.Hα-helixtrans-63.8-46.1177.5-168.8177.6-166.2-126.35.1111.4N16 I17 L22 L23 E24N16-R20 WeakPolarHBondContact O-CB 3.18Å; N16-R20 PolarHBondContact O-N 2.85Å; N16-R20 VanDerWaalsContact O-N 3.08Å; I17-R20 PolarHBondContact O-N 3.02Å; R20-L22 VanDerWaalsContact C-N 3.29Å; R20-L22 PolarHBondContact O-N 3.25Å; R20-L23 PolarHBondContact O-N 3.26Å; R20-E24 IonicContact NH1-OE1 3.83Å; R20-E24 WeakPolarHBondContact O-CG 3.31Å; R20-E24 PolarHBondContact O-N 3.13Å
21L64.5Low62.1Low35 Ų3571.6 Ų71.618%0.18335%0.348CS..Hα-helixtrans-64.4-34177.2-68.5173000112.2I17 A18 E24 F25 F111 L120I17-L21 HydrophobicContact CG2-CD1 4Å; I17-L21 HydrophobicContact CG2-CG 4.49Å; I17-L21 WeakPolarHBondContact O-CG 3.36Å; I17-L21 PolarHBondContact O-N 3.29Å; A18-L21 PolarHBondContact O-N 3.49Å; L21-E24 PolarHBondContact O-N 3.19Å; L21-F25 PolarHBondContact O-N 2.95Å; L21-F111 HydrophobicContact CD1-CB 3.87Å; L21-L120 HydrophobicContact CB-CD1 3.65Å; L21-L120 HydrophobicContact CB-CD2 4.03Å; L21-L120 HydrophobicContact CD1-CD1 3.58Å; L21-L120 HydrophobicContact CG-CD1 4.27Å
22L64Low63.1Low0 Ų070.6 Ų70.60%035%0.346CS..Hα-helixtrans-70-35.3175.8-166.8124.9000112.1A18 E19 R20 F25 T26 T119 L120 L123 V222 S228 Y230A18-L22 VanDerWaalsContact O-CB 3.31Å; A18-L22 WeakPolarHBondContact O-CB 3.49Å; A18-L22 PolarHBondContact O-N 3.27Å; E19-L22 PolarHBondContact O-N 2.67Å; R20-L22 VanDerWaalsContact C-N 3.29Å; R20-L22 PolarHBondContact O-N 3.25Å; L22-F25 WeakPolarHBondContact O-CB 3.36Å; L22-F25 PolarHBondContact O-N 2.95Å; L22-T26 PolarHBondContact O-N 2.86Å; L22-T119 HydrophobicContact CD1-CG2 4.01Å; L22-L120 HydrophobicContact CB-CD2 4.13Å; L22-L120 HydrophobicContact CD1-CD2 4.47Å; L22-L123 HydrophobicContact CD1-CD1 4Å; L22-L123 HydrophobicContact CG-CD1 4.49Å; L22-V222 HydrophobicContact CD2-CG1 4.07Å; L22-V222 HydrophobicContact CD2-CG2 3.69Å; L22-S228 VanDerWaalsContact CD2-O 3.22Å; L22-S228 WeakPolarHBondContact CD2-O 3.18Å; L22-Y230 HydrophobicContact CB-CD2 4.16Å; L22-Y230 HydrophobicContact CD1-CD2 3.6Å; L22-Y230 HydrophobicContact CD1-CE2 3.9Å; L22-Y230 HydrophobicContact CG-CD2 4.35Å
23L60.5Low63.8Low77 Ų7769.4 Ų69.440%0.40334%0.344SS..Hα-helixtrans-71.3-30.5171-72.3169.7000112.5E19 R20 F25 T26 V222E19-L23 WeakPolarHBondContact O-CG 3.28Å; E19-L23 PolarHBondContact O-N 3.45Å; R20-L23 PolarHBondContact O-N 3.26Å; L23-F25 VanDerWaalsContact C-N 3.35Å; L23-T26 PolarHBondContact O-OG1 2.98Å; L23-V222 HydrophobicContact CD2-CG1 4.14Å
24E59.7Low64.6Low87 Ų8764.4 Ų64.441%0.40732%0.324SS..Hα-helixtrans-67.3-39.6170.2-74.3171.6-170.100110.3R20 L21 T26 R27 A28R20-E24 IonicContact NH1-OE1 3.83Å; R20-E24 WeakPolarHBondContact O-CG 3.31Å; R20-E24 PolarHBondContact O-N 3.13Å; L21-E24 PolarHBondContact O-N 3.19Å; E24-T26 PolarHBondContact O-N 3.37Å; E24-R27 CarbonylContact O-C 3.56Å; E24-R27 WeakPolarHBondContact O-CA 3.4Å; E24-R27 PolarHBondContact O-N 3.1Å; E24-A28 CarbonylContact C-O 3.57Å; E24-A28 PolarHBondContact O-N 3.17Å
25F61.6Low65.4Low5 Ų565.6 Ų65.62%0.02233%0.332CS..Hα-helixtrans-57.8-31.7176.4-169.6-99.6000114L21 L22 L23 R27 A28 L30 L123 L215 H218L21-F25 PolarHBondContact O-N 2.95Å; L22-F25 WeakPolarHBondContact O-CB 3.36Å; L22-F25 PolarHBondContact O-N 2.95Å; L23-F25 VanDerWaalsContact C-N 3.35Å; F25-R27 VanDerWaalsContact C-N 3.31Å; F25-A28 CarbonylContact C-O 3.51Å; F25-A28 WeakPolarHBondContact CA-O 3.41Å; F25-L30 HydrophobicContact CB-CD1 4.46Å; F25-L30 HydrophobicContact CB-CG 4.44Å; F25-L30 HydrophobicContact CD2-CB 3.73Å; F25-L30 HydrophobicContact CD2-CD1 3.45Å; F25-L30 VanDerWaalsContact CD2-CD1 3.45Å; F25-L30 HydrophobicContact CD2-CG 3.49Å; F25-L30 VanDerWaalsContact CD2-CG 3.49Å; F25-L30 VanDerWaalsContact CD2-N 3.33Å; F25-L30 HydrophobicContact CE2-CB 4Å; F25-L30 HydrophobicContact CE2-CD1 3.91Å; F25-L30 HydrophobicContact CE2-CG 4.16Å; F25-L30 HydrophobicContact CG-CD1 4.18Å; F25-L30 HydrophobicContact CG-CG 4.37Å; F25-L123 HydrophobicContact CB-CD1 4.32Å; F25-L123 HydrophobicContact CD1-CD1 3.77Å; F25-L123 HydrophobicContact CD1-CD2 4.03Å; F25-L123 HydrophobicContact CD1-CG 4.33Å; F25-L123 HydrophobicContact CD2-CB 4.42Å; F25-L123 HydrophobicContact CD2-CD1 4.43Å; F25-L123 HydrophobicContact CE1-CB 4.27Å; F25-L123 HydrophobicContact CE1-CD1 4.16Å; F25-L123 HydrophobicContact CE1-CD2 3.61Å; F25-L123 HydrophobicContact CE1-CG 4.21Å; F25-L123 HydrophobicContact CE2-CB 4.05Å; F25-L123 HydrophobicContact CG-CD1 3.9Å; F25-L123 HydrophobicContact CZ-CB 3.96Å; F25-L123 HydrophobicContact CZ-CD2 4.05Å; F25-L123 HydrophobicContact CZ-CG 4.41Å; F25-L215 HydrophobicContact CE1-CD2 3.85Å; F25-L215 HydrophobicContact CZ-CD2 3.74Å; F25-H218 AromaticContact CD1-CD2 3.69Å; F25-H218 AromaticContact CD1-NE2 3.45Å; F25-H218 WeakPolarHBondContact CD1-NE2 3.25Å; F25-H218 AromaticContact CE1-CD2 3.76Å; F25-H218 AromaticContact CE1-NE2 3.99Å
26T58.6Low66.3Low41 Ų4164.3 Ų64.325%0.25233%0.327SS..Hα-helixtrans-74.1-24.717557.90000113.2L22 L23 E24 V222L22-T26 PolarHBondContact O-N 2.86Å; L23-T26 PolarHBondContact O-OG1 2.98Å; E24-T26 PolarHBondContact O-N 3.37Å; T26-V222 HydrophobicContact CG2-CB 3.55Å; T26-V222 HydrophobicContact CG2-CG1 3.37Å; T26-V222 HydrophobicContact CG2-CG2 4.25Å
27R57Low67Low224 Ų22462.6 Ų62.685%0.84532%0.323SS*.Hα-helixtrans-93.3-35.4-178.6-66.7179.7176.1-170.9-1.7112.7E24 F25E24-R27 CarbonylContact O-C 3.56Å; E24-R27 WeakPolarHBondContact O-CA 3.4Å; E24-R27 PolarHBondContact O-N 3.1Å; F25-R27 VanDerWaalsContact C-N 3.31Å
28A58Low67.5Low64 Ų6457.9 Ų57.953%0.52930%0.299SS..SBendtrans-149.9147.9177.600000108.9E24 F25E24-A28 CarbonylContact C-O 3.57Å; E24-A28 PolarHBondContact O-N 3.17Å; F25-A28 CarbonylContact C-O 3.51Å; F25-A28 WeakPolarHBondContact CA-O 3.41Å
29A64.2Low67.4Low56 Ų5663.4 Ų63.446%0.46333%0.327SS..PPolyproline II helixtrans-50.8148.9173.200000112.5T31 Q127A29-T31 PolarHBondContact O-N 3.26Å; A29-Q127 VanDerWaalsContact CB-NE2 3.29Å
30L66.8Low67Low15 Ų1566.1 Ų66.18%0.07935%0.351CS..PPolyproline II helixtrans-62.7135.6170.2-94.1153.8000107.5F25 L32 F111 L120 L123F25-L30 HydrophobicContact CB-CD1 4.46Å; F25-L30 HydrophobicContact CB-CG 4.44Å; F25-L30 HydrophobicContact CD2-CB 3.73Å; F25-L30 HydrophobicContact CD2-CD1 3.45Å; F25-L30 VanDerWaalsContact CD2-CD1 3.45Å; F25-L30 HydrophobicContact CD2-CG 3.49Å; F25-L30 VanDerWaalsContact CD2-CG 3.49Å; F25-L30 VanDerWaalsContact CD2-N 3.33Å; F25-L30 HydrophobicContact CE2-CB 4Å; F25-L30 HydrophobicContact CE2-CD1 3.91Å; F25-L30 HydrophobicContact CE2-CG 4.16Å; F25-L30 HydrophobicContact CG-CD1 4.18Å; F25-L30 HydrophobicContact CG-CG 4.37Å; L30-L32 PolarHBondContact O-N 3.19Å; L30-F111 HydrophobicContact CD2-CD1 4.21Å; L30-L120 HydrophobicContact CD1-CB 4.28Å; L30-L120 HydrophobicContact CD1-CD2 4.3Å; L30-L123 HydrophobicContact CD1-CB 3.86Å; L30-L123 HydrophobicContact CD1-CD1 4.38Å
31T75.9Confident66.8Low83 Ų8360.8 Ų60.851%0.50934%0.335SS..PPolyproline II helixtrans-72.3125.9178.3-60.20000109.3A29 D110A29-T31 PolarHBondContact O-N 3.26Å; T31-D110 HydrophobicContact CG2-CB 4.29Å; T31-D110 VanDerWaalsContact O-CB 3.25Å; T31-D110 WeakPolarHBondContact O-CB 3.38Å; T31-D110 PolarHBondContact O-N 2.74Å
32L79.4Confident67Low24 Ų2461.3 Ų61.313%0.12634%0.335CS..EExtended strand (participates in β ladder)trans-96125.4169.5-66174.2000108.2L30 I35 L107 Q108 A109 W128L30-L32 PolarHBondContact O-N 3.19Å; L32-I35 HydrophobicContact CB-CD1 4.19Å; L32-I35 HydrophobicContact CB-CG1 3.72Å; L32-I35 HydrophobicContact CD1-CG1 4.12Å; L32-L107 HydrophobicContact CD1-CD1 3.77Å; L32-L107 HydrophobicContact CD2-CD1 3.68Å; L32-L107 HydrophobicContact CD2-CG 4.29Å; L32-L107 HydrophobicContact CG-CD1 4.25Å; L32-Q108 CarbonylContact C-O 3.49Å; L32-Q108 WeakPolarHBondContact CA-O 3.33Å; L32-A109 HydrophobicContact CD2-CB 4.13Å; L32-W128 HydrophobicContact CD1-CB 4.34Å
33L72.2Confident66.7Low79 Ų7968.9 Ų68.941%0.41437%0.37SS..EExtended strand (participates in β ladder)trans-83.2-33.9178.6-62.7177.5000111.8K86 Q108 D110L33-K86 HydrophobicContact CD1-CD 3.95Å; L33-K86 HydrophobicContact CD1-CG 3.91Å; L33-Q108 HydrophobicContact CB-CB 4.31Å; L33-Q108 HydrophobicContact CB-CG 4.17Å; L33-Q108 HydrophobicContact CD1-CG 4.19Å; L33-Q108 PolarHBondContact N-O 2.82Å; L33-D110 HydrophobicContact CD1-CB 4.29Å; L33-D110 HydrophobicContact CD2-CB 4.11Å; L33-D110 HydrophobicContact CG-CB 3.97Å
34L75.4Confident66.4Low35 Ų3572.9 Ų72.918%0.18339%0.392CS..EExtended strand (participates in β ladder)trans-131.8127.3175.8-62.8170.8000108.1I106 Q108L34-I106 HydrophobicContact CD1-CG2 4.14Å; L34-Q108 HydrophobicContact CB-CB 3.87Å; L34-Q108 HydrophobicContact CD1-CB 3.98Å; L34-Q108 HydrophobicContact CG-CB 4.07Å; L34-Q108 PolarHBondContact N-O 2.87Å; L34-Q108 PolarHBondContact O-N 3.37Å; L34-Q108 VanDerWaalsContact O-N 3.13Å
35I75.4Confident66.9Low105 Ų10571.2 Ų71.254%0.53839%0.386SS..  trans-118.3131.9-178.7-58.5174.7000107.9L32L32-I35 HydrophobicContact CB-CD1 4.19Å; L32-I35 HydrophobicContact CB-CG1 3.72Å; L32-I35 HydrophobicContact CD1-CG1 4.12Å
36V75.5Confident67.2Low4 Ų475.1 Ų75.12%0.02441%0.414CS..  trans-95.7129.5174.5179.30000109.2L41 V81 G104 I106 W128 H132V36-L41 HydrophobicContact CG1-CD1 3.86Å; V36-V81 HydrophobicContact CB-CG2 4.25Å; V36-V81 HydrophobicContact CG1-CG2 3.97Å; V36-V81 HydrophobicContact CG2-CG1 4.15Å; V36-V81 HydrophobicContact CG2-CG2 4.44Å; V36-G104 VanDerWaalsContact CG1-O 3.31Å; V36-G104 WeakPolarHBondContact CG1-O 3.12Å; V36-I106 VanDerWaalsContact CG2-C 3.47Å; V36-I106 VanDerWaalsContact CG2-O 3.25Å; V36-I106 WeakPolarHBondContact CG2-O 3.38Å; V36-W128 HydrophobicContact CB-CZ2 4.2Å; V36-W128 HydrophobicContact CG1-CZ2 4.49Å; V36-W128 PolarHBondContact O-NE1 3.29Å; V36-H132 PolarHBondContact O-CE1 3.41Å; V36-H132 PolarHBondContact O-NE2 2.89Å
37S76.7Confident67.7Low60 Ų6083.1 Ų83.142%0.4244%0.44SS..  trans-93.9118.2167.5-177.80000110.1I39 S40S37-I39 VanDerWaalsContact C-N 3.3Å; S37-I39 PolarHBondContact O-N 2.85Å; S37-S40 PolarHBondContact O-OG 3.38Å; S37-S40 VanDerWaalsContact O-OG 3.14Å
38I75.3Confident68.6Low0 Ų076 Ų760%042%0.416CS..G310 helixtrans-79-12-178.472.9-176.2000113.7S40 L41 Y42 V52 P79 W128 H132 Q135 V136I38-S40 PolarHBondContact O-N 3.3Å; I38-L41 PolarHBondContact O-N 3.5Å; I38-Y42 HydrophobicContact CB-CE2 4.46Å; I38-Y42 HydrophobicContact CD1-CE2 4.04Å; I38-Y42 HydrophobicContact CG1-CE2 4.22Å; I38-V52 HydrophobicContact CB-CG2 4.43Å; I38-V52 HydrophobicContact CD1-CG2 3.78Å; I38-V52 HydrophobicContact CG2-CG2 4.12Å; I38-P79 HydrophobicContact CB-CB 4.46Å; I38-P79 HydrophobicContact CB-CG 4.2Å; I38-P79 HydrophobicContact CG2-CB 4.43Å; I38-W128 HydrophobicContact CG2-CH2 3.61Å; I38-W128 HydrophobicContact CG2-CZ2 3.41Å; I38-W128 VanDerWaalsContact CG2-CZ2 3.41Å; I38-H132 HydrophobicContact CD1-CB 3.64Å; I38-H132 HydrophobicContact CG1-CB 4.38Å; I38-Q135 HydrophobicContact CD1-CB 4.1Å; I38-V136 HydrophobicContact CD1-CG1 3.59Å
39I61.5Low69.6Low117 Ų11773.6 Ų73.660%0.640%0.395SS*.G310 helixtrans-57-39.3179.3-61.6175.5000110.2S37 L41 Q135S37-I39 VanDerWaalsContact C-N 3.3Å; S37-I39 PolarHBondContact O-N 2.85Å; I39-L41 PolarHBondContact O-N 3.27Å; I39-Q135 VanDerWaalsContact CG1-NE2 3.34Å
40S58.2Low70.7Confident100 Ų10074 Ų7470%0.69939%0.386SS*.G310 helixtrans-71.7-11.8179.167.60000114.3S37 I38S37-S40 PolarHBondContact O-OG 3.38Å; S37-S40 VanDerWaalsContact O-OG 3.14Å; I38-S40 PolarHBondContact O-N 3.3Å
41L62.3Low72Confident65 Ų6573.7 Ų73.734%0.3438%0.384SS..G310 helixtrans-107.4-8.1-167-62177.2000113.9V36 I38 I39 P79V36-L41 HydrophobicContact CG1-CD1 3.86Å; I38-L41 PolarHBondContact O-N 3.5Å; I39-L41 PolarHBondContact O-N 3.27Å; L41-P79 HydrophobicContact CB-CB 3.65Å; L41-P79 HydrophobicContact CB-CG 3.48Å; L41-P79 VanDerWaalsContact CB-CG 3.48Å; L41-P79 HydrophobicContact CD1-CB 3.74Å; L41-P79 HydrophobicContact CD1-CG 4.46Å; L41-P79 HydrophobicContact CG-CB 4.34Å
42Y68.4Low72.8Confident47 Ų4769.7 Ų69.718%0.18436%0.36CS..  trans-90.6132.4177.4-85.5-74.9000113.1I38 K50 F51 V52 P79 V136I38-Y42 HydrophobicContact CB-CE2 4.46Å; I38-Y42 HydrophobicContact CD1-CE2 4.04Å; I38-Y42 HydrophobicContact CG1-CE2 4.22Å; Y42-K50 HydrophobicContact CD1-CG 4.39Å; Y42-K50 HydrophobicContact CE1-CB 3.87Å; Y42-K50 HydrophobicContact CE1-CG 4.06Å; Y42-F51 WeakPolarHBondContact OH-CA 3.4Å; Y42-F51 PolarHBondContact OH-N 3.42Å; Y42-F51 VanDerWaalsContact OH-N 3.07Å; Y42-F51 PolarHBondContact OH-O 3.22Å; Y42-V52 HydrophobicContact CE2-CG2 4.33Å; Y42-V52 WeakPolarHBondContact OH-CG2 3.27Å; Y42-P79 HydrophobicContact CD2-CG 3.95Å; Y42-P79 HydrophobicContact CE1-CG 4.37Å; Y42-P79 HydrophobicContact CE2-CG 3.75Å; Y42-P79 HydrophobicContact CG-CG 4.37Å; Y42-V136 HydrophobicContact CE2-CG1 4.08Å; Y42-V136 VanDerWaalsContact OH-CG1 3.24Å; Y42-V136 WeakPolarHBondContact OH-CG1 2.92Å
43Q58.1Low73.6Confident159 Ų15968.6 Ų68.674%0.74335%0.354SS*.  trans-79.9136.5160.6-67.2-176-15.200109.6D45Q43-D45 PolarHBondContact O-N 3.05Å
44N55.2Low74.8Confident161 Ų16164.9 Ų64.986%0.86134%0.335SS*.  trans-81.280.1-165-151.211.7000112.1
45D68.5Low75.9Confident51 Ų5163.4 Ų63.427%0.27333%0.327SS..  trans-123.4106.8164.4-171.80.9000110Q43 R47 Q48Q43-D45 PolarHBondContact O-N 3.05Å; D45-R47 PolarHBondContact O-N 3.15Å; D45-R47 PolarHBondContact OD1-N 3.03Å; D45-R47 VanDerWaalsContact OD1-N 3.14Å; D45-R47 IonicContact OD1-NE 3.27Å; D45-Q48 PolarHBondContact OD2-NE2 2.79Å
46S67.9Low76.9Confident88 Ų8858.9 Ų58.962%0.61530%0.303SS*.THydrogen-bonded Turntrans-68.9-16.8-177.857.50000113.8
47R70.1Confident77.9Confident208 Ų20858.8 Ų58.879%0.78530%0.303SS*.THydrogen-bonded Turntrans-83.1-16.6-176.4-68.2177.9-70.6164.4-5.3113.8D45D45-R47 PolarHBondContact O-N 3.15Å; D45-R47 PolarHBondContact OD1-N 3.03Å; D45-R47 VanDerWaalsContact OD1-N 3.14Å; D45-R47 IonicContact OD1-NE 3.27Å
48Q75Confident78.8Confident75 Ų7561.1 Ų61.135%0.3530%0.303SS..SBendtrans-94.7146.6-179.2-62.8-168.621.200110.8D45 K50 R161D45-Q48 PolarHBondContact OD2-NE2 2.79Å; Q48-K50 PolarHBondContact O-N 3.02Å; Q48-R161 PolarHBondContact O-NH1 2.77Å
49P79.2Confident79.7Confident13 Ų1361.3 Ų61.38%0.08430%0.303CS..PPolyproline II helixtrans-59.7128.717128.8-36.1000109.5F51 D137 F138 M157 R161P49-F51 WeakPolarHBondContact O-CD1 3.46Å; P49-D137 VanDerWaalsContact CA-OD2 3.22Å; P49-D137 WeakPolarHBondContact CA-OD2 3.47Å; P49-F138 HydrophobicContact CB-CE2 4.46Å; P49-M157 HydrophobicContact CB-CB 3.8Å; P49-M157 HydrophobicContact CG-CB 3.49Å; P49-M157 VanDerWaalsContact CG-CB 3.49Å; P49-R161 VanDerWaalsContact CA-NH1 3.26Å
50K88.9Confident81.3Confident66 Ų6660.1 Ų60.129%0.28730%0.296SS..PPolyproline II helixtrans-87.4123.1175.3-67.1-176.9-178.2-177.50107.8Y42 Q48 Q135 V136 D137 F138Y42-K50 HydrophobicContact CD1-CG 4.39Å; Y42-K50 HydrophobicContact CE1-CB 3.87Å; Y42-K50 HydrophobicContact CE1-CG 4.06Å; Q48-K50 PolarHBondContact O-N 3.02Å; K50-Q135 WeakPolarHBondContact CD-O 3.17Å; K50-V136 CarbonylContact O-C 3.59Å; K50-D137 PolarHBondContact N-OD2 2.82Å; K50-D137 PolarHBondContact O-N 3.09Å; K50-F138 PolarHBondContact O-N 3.39Å
51F92.3Very high83Confident7 Ų757.5 Ų57.53%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-140.1159.6175.662.4-82.9000110.7Y42 P49 V53 L76 C78 F138 V140 L153 E154 M157Y42-F51 WeakPolarHBondContact OH-CA 3.4Å; Y42-F51 PolarHBondContact OH-N 3.42Å; Y42-F51 VanDerWaalsContact OH-N 3.07Å; Y42-F51 PolarHBondContact OH-O 3.22Å; P49-F51 WeakPolarHBondContact O-CD1 3.46Å; F51-V53 HydrophobicContact CD2-CG2 4.35Å; F51-V53 HydrophobicContact CE2-CG2 4.31Å; F51-L76 HydrophobicContact CE2-CD2 4.46Å; F51-C78 HydrophobicContact CD2-CB 4.1Å; F51-C78 HydrophobicContact CE1-CB 4.41Å; F51-C78 HydrophobicContact CE2-CB 3.82Å; F51-C78 WeakPolarHBondContact CE2-SG 3.32Å; F51-C78 HydrophobicContact CZ-CB 3.99Å; F51-C78 WeakPolarHBondContact O-CB 3.31Å; F51-F138 WeakPolarHBondContact CA-O 3.48Å; F51-F138 HydrophobicContact CB-CB 3.92Å; F51-F138 WeakPolarHBondContact CB-O 3.05Å; F51-V140 HydrophobicContact CD2-CG2 4.1Å; F51-L153 HydrophobicContact CD2-CD2 4.29Å; F51-L153 HydrophobicContact CE2-CD2 3.55Å; F51-L153 HydrophobicContact CE2-CG 4.01Å; F51-L153 HydrophobicContact CZ-CD2 4.25Å; F51-L153 HydrophobicContact CZ-CG 4.39Å; F51-E154 HydrophobicContact CE1-CG 4.28Å; F51-E154 HydrophobicContact CZ-CG 4.05Å; F51-M157 HydrophobicContact CB-CG 4.27Å; F51-M157 HydrophobicContact CB-SD 3.89Å; F51-M157 HydrophobicContact CD1-CB 4.09Å; F51-M157 HydrophobicContact CD1-CG 3.55Å; F51-M157 HydrophobicContact CD1-SD 4.3Å; F51-M157 HydrophobicContact CD2-CG 4.33Å; F51-M157 HydrophobicContact CE1-CB 4.39Å; F51-M157 HydrophobicContact CE1-CG 3.89Å; F51-M157 HydrophobicContact CG-CG 3.79Å; F51-M157 HydrophobicContact CG-SD 4.01Å; F51-M157 HydrophobicContact CZ-CG 4.41Å
52V93.9Very high84.6Confident0 Ų057.1 Ų57.10%027%0.273CS..EExtended strand (participates in β ladder)trans-125.1143.2176.8163.40000108.6I38 Y42 P79 W128 V136 F138 F139 V140I38-V52 HydrophobicContact CB-CG2 4.43Å; I38-V52 HydrophobicContact CD1-CG2 3.78Å; I38-V52 HydrophobicContact CG2-CG2 4.12Å; Y42-V52 HydrophobicContact CE2-CG2 4.33Å; Y42-V52 WeakPolarHBondContact OH-CG2 3.27Å; V52-P79 HydrophobicContact CG2-CB 4.11Å; V52-P79 HydrophobicContact CG2-CG 4.04Å; V52-W128 HydrophobicContact CG1-CH2 3.59Å; V52-W128 HydrophobicContact CG1-CZ3 3.8Å; V52-V136 HydrophobicContact CG2-CG1 3.87Å; V52-F138 PolarHBondContact N-O 3.36Å; V52-F139 HydrophobicContact CB-CD1 4.22Å; V52-F139 HydrophobicContact CB-CE1 4.47Å; V52-V140 PolarHBondContact O-N 3.17Å
53V96.1Very high86Confident1 Ų159.6 Ų59.61%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-104.5117.1173.3-174.20000110F51 L55 W72 L76 P79 V80 V81 V140 L153F51-V53 HydrophobicContact CD2-CG2 4.35Å; F51-V53 HydrophobicContact CE2-CG2 4.31Å; V53-L55 HydrophobicContact CG1-CD2 3.83Å; V53-L55 HydrophobicContact CG1-CG 4Å; V53-W72 HydrophobicContact CG1-CH2 4.09Å; V53-W72 HydrophobicContact CG1-CZ3 4.49Å; V53-L76 HydrophobicContact CG2-CD1 3.97Å; V53-P79 PolarHBondContact N-O 2.85Å; V53-V80 HydrophobicContact CB-CG1 4.42Å; V53-V80 HydrophobicContact CB-CG2 4.2Å; V53-V80 CarbonylContact O-C 3.55Å; V53-V80 VanDerWaalsContact O-CA 3.31Å; V53-V80 WeakPolarHBondContact O-CA 3.39Å; V53-V81 PolarHBondContact O-N 3.46Å; V53-V140 CarbonylContact C-O 3.57Å; V53-V140 WeakPolarHBondContact CA-O 3.43Å; V53-V140 HydrophobicContact CB-CB 4.43Å; V53-V140 HydrophobicContact CG1-CB 4.42Å; V53-V140 HydrophobicContact CG1-CG1 4.26Å; V53-V140 HydrophobicContact CG2-CB 4.05Å; V53-V140 HydrophobicContact CG2-CG1 4.37Å; V53-V140 HydrophobicContact CG2-CG2 4.46Å; V53-L153 HydrophobicContact CG2-CD2 4.2Å
54A97.1Very high87.9Confident1 Ų152.6 Ų52.61%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-104.1116.417300000110.4V81 I125 M129 V140 Q141 G142A54-V81 CarbonylContact C-O 3.35Å; A54-V81 WeakPolarHBondContact CA-O 3.25Å; A54-I125 HydrophobicContact CB-CG2 4.02Å; A54-M129 HydrophobicContact CB-CE 3.65Å; A54-V140 PolarHBondContact N-O 3.08Å; A54-Q141 VanDerWaalsContact O-CA 3.3Å; A54-Q141 WeakPolarHBondContact O-CA 3.11Å; A54-G142 PolarHBondContact O-N 3.3Å; A54-G142 VanDerWaalsContact O-N 3.12Å
55L97.8Very high90Very high3 Ų345 Ų452%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-106.7124.6-178.9-61.8177.4000110.6V53 T57 I68 W72 V80 V81 F82 A83 G142V53-L55 HydrophobicContact CG1-CD2 3.83Å; V53-L55 HydrophobicContact CG1-CG 4Å; L55-T57 HydrophobicContact CB-CG2 4.34Å; L55-T57 PolarHBondContact O-N 2.81Å; L55-I68 HydrophobicContact CD1-CD1 4.49Å; L55-I68 HydrophobicContact CD1-CG2 3.84Å; L55-W72 HydrophobicContact CD1-CH2 3.84Å; L55-W72 HydrophobicContact CD1-CZ2 3.67Å; L55-W72 HydrophobicContact CD2-CH2 4.11Å; L55-W72 HydrophobicContact CD2-CZ2 4.28Å; L55-W72 HydrophobicContact CG-CH2 4.47Å; L55-V80 HydrophobicContact CD1-CG1 3.93Å; L55-V80 HydrophobicContact CG-CG1 4.34Å; L55-V81 PolarHBondContact N-O 2.88Å; L55-F82 HydrophobicContact CB-CD1 4.01Å; L55-F82 HydrophobicContact CB-CE1 4.38Å; L55-F82 HydrophobicContact CD1-CD1 4.2Å; L55-F82 HydrophobicContact CD1-CE1 3.72Å; L55-A83 PolarHBondContact O-N 3.38Å; L55-G142 WeakPolarHBondContact CA-O 3.43Å
56K97.4Very high91.4Very high10 Ų1046.2 Ų46.24%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-73.9115.5171.4-70.9-178.6-70.6168.70108.7K121 I125 G142 D143 S144 D234K56-K121 HydrophobicContact CB-CD 4.2Å; K56-K121 HydrophobicContact CD-CD 4.43Å; K56-K121 HydrophobicContact CG-CD 4.01Å; K56-K121 HydrophobicContact CG-CG 4.49Å; K56-I125 HydrophobicContact CD-CD1 4.31Å; K56-I125 HydrophobicContact CG-CD1 3.63Å; K56-G142 PolarHBondContact N-O 2.91Å; K56-D143 WeakPolarHBondContact CE-OD1 3.45Å; K56-D143 IonicContact NZ-OD1 2.74Å; K56-D143 PolarHBondContact NZ-OD1 2.98Å; K56-S144 PolarHBondContact O-N 2.63Å; K56-D234 IonicContact NZ-OD1 3.4Å; K56-D234 IonicContact NZ-OD2 2.55Å; K56-D234 PolarHBondContact NZ-OD2 2.81Å
57T96.9Very high92.8Very high3 Ų342 Ų422%0.01819%0.186CC..  trans-126.2169.5175.380.30000110L55 E61 R65 F82 A83 V84 K121L55-T57 HydrophobicContact CB-CG2 4.34Å; L55-T57 PolarHBondContact O-N 2.81Å; T57-E61 VanDerWaalsContact CA-OE2 3.27Å; T57-E61 WeakPolarHBondContact CA-OE2 3.43Å; T57-E61 WeakPolarHBondContact CB-OE2 3.25Å; T57-R65 HydrophobicContact CG2-CG 4.01Å; T57-R65 PolarHBondContact OG1-NH1 3.35Å; T57-F82 HydrophobicContact CG2-CB 4.08Å; T57-F82 HydrophobicContact CG2-CD1 3.49Å; T57-F82 VanDerWaalsContact CG2-CD1 3.49Å; T57-F82 HydrophobicContact CG2-CE1 4.38Å; T57-F82 HydrophobicContact CG2-CG 4.23Å; T57-A83 PolarHBondContact N-O 2.93Å; T57-V84 WeakPolarHBondContact OG1-CG1 3.33Å; T57-K121 PolarHBondContact O-NZ 3.35Å
58R94.9Very high94.2Very high109 Ų10932.2 Ų32.241%0.41115%0.149SC..  trans-99.9150.7170.6-60.7172.3174.7-108-4.1110.4E60 E61 R65R58-E60 PolarHBondContact O-N 3.4Å; R58-E60 VanDerWaalsContact O-N 3.12Å; R58-E61 HydrophobicContact CB-CB 4.47Å; R58-E61 HydrophobicContact CB-CG 3.91Å; R58-E61 WeakPolarHBondContact CD-OE1 3.41Å; R58-E61 PolarHBondContact N-OE2 3.43Å; R58-E61 WeakPolarHBondContact O-CB 3.35Å; R58-E61 PolarHBondContact O-N 3.27Å; R58-R65 PolarHBondContact O-NH1 3.11Å
59I94.2Very high95.3Very high3 Ų330.2 Ų30.22%0.01514%0.138CC..THydrogen-bonded Turntrans-55.6-34179-167.9172.1000112.8E61 R65 N92 N93 I96I59-E61 VanDerWaalsContact C-N 3.32Å; I59-E61 PolarHBondContact O-N 3.1Å; I59-R65 PolarHBondContact O-NH2 3.41Å; I59-R65 VanDerWaalsContact O-NH2 3.14Å; I59-N92 HydrophobicContact CD1-CB 4.09Å; I59-N92 WeakPolarHBondContact CD1-O 3.47Å; I59-N92 HydrophobicContact CG1-CB 4.2Å; I59-N92 HydrophobicContact CG2-CB 4.43Å; I59-N93 WeakPolarHBondContact CD1-OD1 3.29Å; I59-I96 HydrophobicContact CD1-CB 4.14Å; I59-I96 HydrophobicContact CD1-CG2 3.77Å; I59-I96 HydrophobicContact CG1-CB 3.95Å; I59-I96 HydrophobicContact CG1-CG1 4.31Å; I59-I96 HydrophobicContact CG1-CG2 4.16Å
60E94.2Very high96.1Very high93 Ų9334.1 Ų34.144%0.43516%0.155SC..THydrogen-bonded Turntrans-73.2-14.5176.4-59.578.4-164.800114.8R58 V62 S87 N92R58-E60 PolarHBondContact O-N 3.4Å; R58-E60 VanDerWaalsContact O-N 3.12Å; E60-V62 PolarHBondContact O-N 3.25Å; E60-S87 PolarHBondContact OE1-OG 3.13Å; E60-N92 PolarHBondContact OE1-ND2 3.43Å
61E95.5Very high96.6Very high45 Ų4531.1 Ų31.121%0.2114%0.143CC..  trans-79.339.6-174.9-75.2171.4-177.900113.7T57 R58 I59 E63 L64 R65 S144T57-E61 VanDerWaalsContact CA-OE2 3.27Å; T57-E61 WeakPolarHBondContact CA-OE2 3.43Å; T57-E61 WeakPolarHBondContact CB-OE2 3.25Å; R58-E61 HydrophobicContact CB-CB 4.47Å; R58-E61 HydrophobicContact CB-CG 3.91Å; R58-E61 WeakPolarHBondContact CD-OE1 3.41Å; R58-E61 PolarHBondContact N-OE2 3.43Å; R58-E61 WeakPolarHBondContact O-CB 3.35Å; R58-E61 PolarHBondContact O-N 3.27Å; I59-E61 VanDerWaalsContact C-N 3.32Å; I59-E61 PolarHBondContact O-N 3.1Å; E61-E63 PolarHBondContact O-N 3.09Å; E61-L64 HydrophobicContact CB-CB 4.13Å; E61-L64 HydrophobicContact CB-CD2 4.44Å; E61-L64 HydrophobicContact CG-CD2 4.24Å; E61-L64 PolarHBondContact O-N 3.35Å; E61-R65 PolarHBondContact O-N 2.92Å; E61-S144 PolarHBondContact OE2-OG 2.96Å; E61-S144 VanDerWaalsContact OE2-OG 3.08Å
62V96.1Very high96.7Very high57 Ų5730.8 Ų30.835%0.34514%0.141SC..Hα-helixtrans-57.2-52.8-176.3-178.10000111.5E60 L64 R65 K66E60-V62 PolarHBondContact O-N 3.25Å; V62-L64 VanDerWaalsContact C-N 3.27Å; V62-L64 PolarHBondContact O-N 3.06Å; V62-R65 PolarHBondContact O-N 2.98Å; V62-K66 PolarHBondContact O-N 3.11Å
63E97.5Very high96.8Very high99 Ų9931.5 Ų31.546%0.46315%0.146SC..Hα-helixtrans-67.8-28.1-179.4-69.8-55.1126.800113E61 A67 P283E61-E63 PolarHBondContact O-N 3.09Å; E63-A67 WeakPolarHBondContact O-CB 3.5Å; E63-A67 PolarHBondContact O-N 3.27Å; E63-P283 HydrophobicContact CB-CB 4.45Å; E63-P283 HydrophobicContact CB-CG 3.76Å
64L97.8Very high96.8Very high11 Ų1134.4 Ų34.46%0.05817%0.166CC..Hα-helixtrans-73.5-43.7176.1-18061.7000110.6E61 V62 K66 A67 I68 P283 M286E61-L64 HydrophobicContact CB-CB 4.13Å; E61-L64 HydrophobicContact CB-CD2 4.44Å; E61-L64 HydrophobicContact CG-CD2 4.24Å; E61-L64 PolarHBondContact O-N 3.35Å; V62-L64 VanDerWaalsContact C-N 3.27Å; V62-L64 PolarHBondContact O-N 3.06Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 2.98Å; L64-A67 PolarHBondContact O-N 3.4Å; L64-I68 HydrophobicContact CD1-CD1 4.46Å; L64-I68 HydrophobicContact CG-CD1 4.11Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.46Å; L64-P283 HydrophobicContact CB-CG 4.32Å; L64-M286 HydrophobicContact CD1-CB 4.44Å
65R98.1Very high96.6Very high1 Ų139 Ų390%0.00419%0.187CC..Hα-helixtrans-57.2-44.6171.7-73.9-168.5-67.6-79.7-0.8111.2T57 R58 I59 E61 V62 A67 I68 R69 F82 E99T57-R65 HydrophobicContact CG2-CG 4.01Å; T57-R65 PolarHBondContact OG1-NH1 3.35Å; R58-R65 PolarHBondContact O-NH1 3.11Å; I59-R65 PolarHBondContact O-NH2 3.41Å; I59-R65 VanDerWaalsContact O-NH2 3.14Å; E61-R65 PolarHBondContact O-N 2.92Å; V62-R65 PolarHBondContact O-N 2.98Å; R65-A67 PolarHBondContact O-N 3.17Å; R65-I68 PolarHBondContact O-N 3.09Å; R65-R69 WeakPolarHBondContact O-CG 3.45Å; R65-R69 PolarHBondContact O-N 3.25Å; R65-F82 HydrophobicContact CB-CD1 4.47Å; R65-F82 HydrophobicContact CB-CE1 4.35Å; R65-F82 HydrophobicContact CB-CZ 4.39Å; R65-F82 HydrophobicContact CG-CB 4.34Å; R65-F82 HydrophobicContact CG-CD1 3.78Å; R65-F82 HydrophobicContact CG-CD2 4.4Å; R65-F82 HydrophobicContact CG-CE1 4.08Å; R65-F82 HydrophobicContact CG-CG 3.92Å; R65-E99 IonicContact CZ-OE1 3.93Å; R65-E99 IonicContact CZ-OE2 2.75Å; R65-E99 VanDerWaalsContact CZ-OE2 3.29Å; R65-E99 VanDerWaalsContact NE-CD 3.33Å; R65-E99 IonicContact NE-OE1 2.7Å; R65-E99 PolarHBondContact NE-OE1 3.44Å; R65-E99 IonicContact NE-OE2 3.45Å; R65-E99 PolarHBondContact NE-OE2 2.94Å; R65-E99 VanDerWaalsContact NE-OE2 3.12Å; R65-E99 IonicContact NH2-OE1 3.96Å; R65-E99 IonicContact NH2-OE2 3.32Å; R65-E99 PolarHBondContact NH2-OE2 2.8Å
66K98Very high96.3Very high78 Ų7839.8 Ų39.834%0.33919%0.191SC..Hα-helixtrans-58.1-47.7174.1-176.5177.6176.5-175.50112.3V62 L64 I68 R69 E70V62-K66 PolarHBondContact O-N 3.11Å; L64-K66 VanDerWaalsContact C-N 3.29Å; L64-K66 PolarHBondContact O-N 2.98Å; K66-I68 VanDerWaalsContact C-N 3.31Å; K66-I68 PolarHBondContact O-N 3.21Å; K66-R69 PolarHBondContact O-N 2.91Å; K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 WeakPolarHBondContact CG-OE1 3.37Å; K66-E70 VanDerWaalsContact O-CG 3.3Å; K66-E70 WeakPolarHBondContact O-CG 3.4Å; K66-E70 PolarHBondContact O-N 3.44Å
67A98.5Very high95.8Very high0 Ų047 Ų470%022%0.218CC..Hα-helixtrans-60.9-39.117600000112.7E63 L64 R65 E70 T71 P283 M286 R287E63-A67 WeakPolarHBondContact O-CB 3.5Å; E63-A67 PolarHBondContact O-N 3.27Å; L64-A67 PolarHBondContact O-N 3.4Å; R65-A67 PolarHBondContact O-N 3.17Å; A67-E70 PolarHBondContact O-N 3.16Å; A67-T71 VanDerWaalsContact O-CB 3.3Å; A67-T71 WeakPolarHBondContact O-CB 3.37Å; A67-T71 WeakPolarHBondContact O-CG2 3.42Å; A67-T71 PolarHBondContact O-N 3.24Å; A67-T71 VanDerWaalsContact O-N 3.15Å; A67-T71 PolarHBondContact O-OG1 3.16Å; A67-P283 HydrophobicContact CB-CB 3.84Å; A67-M286 HydrophobicContact CB-CB 4.4Å; A67-M286 HydrophobicContact CB-CG 4.42Å; A67-R287 HydrophobicContact CB-CG 4.2Å
68I98.4Very high95.4Very high1 Ų147.5 Ų47.51%0.00522%0.222CC..Hα-helixtrans-61.7-52.2175.5-67.7162.7000109.6L55 L64 R65 K66 E70 T71 W72 T73 F82 S144 M286L55-I68 HydrophobicContact CD1-CD1 4.49Å; L55-I68 HydrophobicContact CD1-CG2 3.84Å; L64-I68 HydrophobicContact CD1-CD1 4.46Å; L64-I68 HydrophobicContact CG-CD1 4.11Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.46Å; R65-I68 PolarHBondContact O-N 3.09Å; K66-I68 VanDerWaalsContact C-N 3.31Å; K66-I68 PolarHBondContact O-N 3.21Å; I68-E70 VanDerWaalsContact C-N 3.26Å; I68-E70 PolarHBondContact O-N 2.56Å; I68-T71 PolarHBondContact O-N 3.43Å; I68-T71 PolarHBondContact O-OG1 3.25Å; I68-T71 VanDerWaalsContact O-OG1 3.08Å; I68-W72 HydrophobicContact CG2-CZ2 3.93Å; I68-T73 VanDerWaalsContact C-OG1 3.31Å; I68-T73 HydrophobicContact CG2-CG2 3.46Å; I68-T73 VanDerWaalsContact CG2-CG2 3.46Å; I68-T73 PolarHBondContact O-OG1 3.45Å; I68-F82 HydrophobicContact CB-CE1 4.1Å; I68-F82 HydrophobicContact CB-CZ 4.15Å; I68-F82 HydrophobicContact CD1-CE1 4.03Å; I68-F82 HydrophobicContact CG2-CE1 3.81Å; I68-F82 HydrophobicContact CG2-CZ 3.85Å; I68-S144 WeakPolarHBondContact CD1-O 3.43Å; I68-M286 HydrophobicContact CG1-CE 4.07Å; I68-M286 HydrophobicContact CG1-CG 4.4Å
69R97.7Very high95.3Very high34 Ų3442.5 Ų42.513%0.12820%0.204CC..Hα-helixtrans-51.1-43.8177-70.6-178.9-170.6107.30.1112.6R65 K66 T71 T73 S74 F82 E99 D105R65-R69 WeakPolarHBondContact O-CG 3.45Å; R65-R69 PolarHBondContact O-N 3.25Å; K66-R69 PolarHBondContact O-N 2.91Å; R69-T71 VanDerWaalsContact C-N 3.32Å; R69-T71 PolarHBondContact O-N 2.93Å; R69-T73 VanDerWaalsContact CA-OG1 3.26Å; R69-T73 WeakPolarHBondContact CA-OG1 3.43Å; R69-S74 WeakPolarHBondContact O-CB 3.03Å; R69-F82 HydrophobicContact CG-CE2 3.82Å; R69-F82 HydrophobicContact CG-CZ 3.95Å; R69-E99 IonicContact CZ-OE1 3.29Å; R69-E99 VanDerWaalsContact CZ-OE1 3.28Å; R69-E99 IonicContact NH1-OE1 3.12Å; R69-E99 PolarHBondContact NH1-OE1 2.92Å; R69-E99 IonicContact NH2-OE1 2.67Å; R69-E99 PolarHBondContact NH2-OE1 3.45Å; R69-D105 IonicContact CZ-OD1 2.6Å; R69-D105 IonicContact CZ-OD2 2.79Å; R69-D105 IonicContact NE-OD1 2.61Å; R69-D105 IonicContact NE-OD2 4Å; R69-D105 PolarHBondContact NE-OD2 3.04Å; R69-D105 IonicContact NH2-OD1 2.72Å; R69-D105 PolarHBondContact NH2-OD1 3.39Å; R69-D105 IonicContact NH2-OD2 2.86Å; R69-D105 PolarHBondContact NH2-OD2 3.42Å
70E97.3Very high95.3Very high94 Ų9443.3 Ų43.344%0.43921%0.208SC..Hα-helixtrans-74.4-16.7-179.2-70166.6176.200114.2K66 A67 I68 R287K66-E70 WeakPolarHBondContact CE-OE1 3.34Å; K66-E70 WeakPolarHBondContact CG-OE1 3.37Å; K66-E70 VanDerWaalsContact O-CG 3.3Å; K66-E70 WeakPolarHBondContact O-CG 3.4Å; K66-E70 PolarHBondContact O-N 3.44Å; A67-E70 PolarHBondContact O-N 3.16Å; I68-E70 VanDerWaalsContact C-N 3.26Å; I68-E70 PolarHBondContact O-N 2.56Å; E70-R287 IonicContact OE1-NH2 3.2Å; E70-R287 IonicContact OE2-CZ 2.73Å; E70-R287 VanDerWaalsContact OE2-CZ 3.27Å; E70-R287 IonicContact OE2-NE 3.66Å; E70-R287 PolarHBondContact OE2-NE 3.08Å; E70-R287 IonicContact OE2-NH2 2.81Å; E70-R287 PolarHBondContact OE2-NH2 3.16Å
71T98Very high95.4Very high4 Ų438.9 Ų38.93%0.02519%0.188CC..THydrogen-bonded Turntrans-108.2-117.7-169.956.90000112.2A67 I68 R69 T73 S74 M286 R287 W290A67-T71 VanDerWaalsContact O-CB 3.3Å; A67-T71 WeakPolarHBondContact O-CB 3.37Å; A67-T71 WeakPolarHBondContact O-CG2 3.42Å; A67-T71 PolarHBondContact O-N 3.24Å; A67-T71 VanDerWaalsContact O-N 3.15Å; A67-T71 PolarHBondContact O-OG1 3.16Å; I68-T71 PolarHBondContact O-N 3.43Å; I68-T71 PolarHBondContact O-OG1 3.25Å; I68-T71 VanDerWaalsContact O-OG1 3.08Å; R69-T71 VanDerWaalsContact C-N 3.32Å; R69-T71 PolarHBondContact O-N 2.93Å; T71-T73 VanDerWaalsContact C-N 3.31Å; T71-T73 PolarHBondContact O-N 2.94Å; T71-S74 WeakPolarHBondContact O-CB 3.5Å; T71-S74 PolarHBondContact O-N 3.22Å; T71-S74 PolarHBondContact O-OG 3.46Å; T71-M286 HydrophobicContact CG2-CG 4.46Å; T71-R287 HydrophobicContact CG2-CB 4.33Å; T71-R287 HydrophobicContact CG2-CG 3.83Å; T71-W290 HydrophobicContact CG2-CB 3.77Å; T71-W290 HydrophobicContact CG2-CG 3.9Å
72W96.4Very high95.4Very high0 Ų036.8 Ų36.80%018%0.178CC..G310 helixtrans-67.6-31.5-169.460.7-89.8000112.5V53 L55 I68 S74 Q75 L76 M146 L147 V148 P150 W290V53-W72 HydrophobicContact CG1-CH2 4.09Å; V53-W72 HydrophobicContact CG1-CZ3 4.49Å; L55-W72 HydrophobicContact CD1-CH2 3.84Å; L55-W72 HydrophobicContact CD1-CZ2 3.67Å; L55-W72 HydrophobicContact CD2-CH2 4.11Å; L55-W72 HydrophobicContact CD2-CZ2 4.28Å; L55-W72 HydrophobicContact CG-CH2 4.47Å; I68-W72 HydrophobicContact CG2-CZ2 3.93Å; W72-S74 VanDerWaalsContact C-N 3.29Å; W72-S74 PolarHBondContact O-N 3.26Å; W72-Q75 PolarHBondContact O-N 3.48Å; W72-L76 HydrophobicContact CE3-CD1 3.91Å; W72-L76 HydrophobicContact CZ3-CD1 3.58Å; W72-M146 PolarHBondContact NE1-O 3.37Å; W72-L147 HydrophobicContact CB-CD2 4.42Å; W72-L147 HydrophobicContact CB-CG 4.19Å; W72-L147 HydrophobicContact CG-CG 4.14Å; W72-V148 HydrophobicContact CD2-CB 4.31Å; W72-V148 HydrophobicContact CE3-CB 3.74Å; W72-V148 HydrophobicContact CE3-CG2 4.28Å; W72-V148 HydrophobicContact CH2-CB 4.19Å; W72-V148 HydrophobicContact CH2-CG2 3.83Å; W72-V148 HydrophobicContact CZ2-CG2 4.27Å; W72-V148 HydrophobicContact CZ3-CB 3.65Å; W72-V148 HydrophobicContact CZ3-CG2 3.81Å; W72-P150 HydrophobicContact CB-CG 4.46Å; W72-P150 VanDerWaalsContact O-CG 3.27Å; W72-P150 WeakPolarHBondContact O-CG 3.43Å; W72-W290 HydrophobicContact CB-CD2 4.16Å; W72-W290 HydrophobicContact CB-CE3 3.59Å; W72-W290 HydrophobicContact CB-CH2 4.21Å; W72-W290 HydrophobicContact CB-CZ3 3.62Å
73T95.9Very high95.5Very high15 Ų1534.1 Ų34.19%0.09216%0.162CC..G310 helixtrans-71.2-25178.461.10000112.7I68 R69 T71 Q75 L76 V80I68-T73 VanDerWaalsContact C-OG1 3.31Å; I68-T73 HydrophobicContact CG2-CG2 3.46Å; I68-T73 VanDerWaalsContact CG2-CG2 3.46Å; I68-T73 PolarHBondContact O-OG1 3.45Å; R69-T73 VanDerWaalsContact CA-OG1 3.26Å; R69-T73 WeakPolarHBondContact CA-OG1 3.43Å; T71-T73 VanDerWaalsContact C-N 3.31Å; T71-T73 PolarHBondContact O-N 2.94Å; T73-Q75 PolarHBondContact O-N 3.28Å; T73-Q75 VanDerWaalsContact O-N 3.08Å; T73-L76 HydrophobicContact CG2-CD1 4.34Å; T73-L76 WeakPolarHBondContact O-CB 3.13Å; T73-L76 PolarHBondContact O-N 3.38Å; T73-V80 HydrophobicContact CG2-CG1 4.1Å; T73-V80 HydrophobicContact CG2-CG2 3.9Å
74S94.6Very high95.4Very high61 Ų6129.5 Ų29.543%0.42714%0.14SC..G310 helixtrans-60.2-20175.574.10000113.2R69 T71 W72R69-S74 WeakPolarHBondContact O-CB 3.03Å; T71-S74 WeakPolarHBondContact O-CB 3.5Å; T71-S74 PolarHBondContact O-N 3.22Å; T71-S74 PolarHBondContact O-OG 3.46Å; W72-S74 VanDerWaalsContact C-N 3.29Å; W72-S74 PolarHBondContact O-N 3.26Å
75Q93.8Very high95.3Very high99 Ų9929 Ų2946%0.46314%0.138SC..G310 helixtrans-99.2-4.4179.8-57.3-57.2-71.700113W72 T73 P150 W290W72-Q75 PolarHBondContact O-N 3.48Å; T73-Q75 PolarHBondContact O-N 3.28Å; T73-Q75 VanDerWaalsContact O-N 3.08Å; Q75-P150 HydrophobicContact CB-CB 4.1Å; Q75-P150 HydrophobicContact CB-CG 3.89Å; Q75-W290 HydrophobicContact CG-CH2 3.9Å; Q75-W290 HydrophobicContact CG-CZ2 3.54Å
76L91.2Very high95.1Very high18 Ų1831.8 Ų31.89%0.09415%0.15CC..  trans-80138.4176.7-72.4175.9000110.4F51 V53 W72 T73 C78 V80 P150 L153F51-L76 HydrophobicContact CE2-CD2 4.46Å; V53-L76 HydrophobicContact CG2-CD1 3.97Å; W72-L76 HydrophobicContact CE3-CD1 3.91Å; W72-L76 HydrophobicContact CZ3-CD1 3.58Å; T73-L76 HydrophobicContact CG2-CD1 4.34Å; T73-L76 WeakPolarHBondContact O-CB 3.13Å; T73-L76 PolarHBondContact O-N 3.38Å; L76-C78 PolarHBondContact O-N 3.32Å; L76-V80 HydrophobicContact CD1-CG2 4.04Å; L76-P150 HydrophobicContact CD2-CB 3.76Å; L76-P150 HydrophobicContact CD2-CG 4.4Å; L76-P150 HydrophobicContact CG-CB 4.3Å; L76-L153 HydrophobicContact CD2-CD2 3.96Å
77R86.8Confident94.9Very high161 Ų16128.2 Ų28.261%0.60814%0.135SC*.SBendtrans-94.337.8171.9-61.3-179.5-179.9177.2-0.7111.7
78C88.9Confident94.6Very high14 Ų1433 Ų3310%0.09517%0.166CC..SBendtrans-143.4157.9-17773.80000111.8F51 L76F51-C78 HydrophobicContact CD2-CB 4.1Å; F51-C78 HydrophobicContact CE1-CB 4.41Å; F51-C78 HydrophobicContact CE2-CB 3.82Å; F51-C78 WeakPolarHBondContact CE2-SG 3.32Å; F51-C78 HydrophobicContact CZ-CB 3.99Å; F51-C78 WeakPolarHBondContact O-CB 3.31Å; L76-C78 PolarHBondContact O-N 3.32Å
79P91.8Very high94.4Very high5 Ų538.8 Ų38.83%0.03219%0.193CC..  trans-62.1139.5172.6-18.131.1000111.4I38 L41 Y42 V52 V53I38-P79 HydrophobicContact CB-CB 4.46Å; I38-P79 HydrophobicContact CB-CG 4.2Å; I38-P79 HydrophobicContact CG2-CB 4.43Å; L41-P79 HydrophobicContact CB-CB 3.65Å; L41-P79 HydrophobicContact CB-CG 3.48Å; L41-P79 VanDerWaalsContact CB-CG 3.48Å; L41-P79 HydrophobicContact CD1-CB 3.74Å; L41-P79 HydrophobicContact CD1-CG 4.46Å; L41-P79 HydrophobicContact CG-CB 4.34Å; Y42-P79 HydrophobicContact CD2-CG 3.95Å; Y42-P79 HydrophobicContact CE1-CG 4.37Å; Y42-P79 HydrophobicContact CE2-CG 3.75Å; Y42-P79 HydrophobicContact CG-CG 4.37Å; V52-P79 HydrophobicContact CG2-CB 4.11Å; V52-P79 HydrophobicContact CG2-CG 4.04Å; V53-P79 PolarHBondContact N-O 2.85Å
80V94.3Very high94Very high19 Ų1941.5 Ų41.512%0.11522%0.217CC..EExtended strand (participates in β ladder)trans-117.7134.6168.6-177.40000107.7V53 L55 T73 L76 F82 D105V53-V80 HydrophobicContact CB-CG1 4.42Å; V53-V80 HydrophobicContact CB-CG2 4.2Å; V53-V80 CarbonylContact O-C 3.55Å; V53-V80 VanDerWaalsContact O-CA 3.31Å; V53-V80 WeakPolarHBondContact O-CA 3.39Å; L55-V80 HydrophobicContact CD1-CG1 3.93Å; L55-V80 HydrophobicContact CG-CG1 4.34Å; T73-V80 HydrophobicContact CG2-CG1 4.1Å; T73-V80 HydrophobicContact CG2-CG2 3.9Å; L76-V80 HydrophobicContact CD1-CG2 4.04Å; V80-F82 HydrophobicContact CG1-CE1 4.5Å; V80-F82 HydrophobicContact CG1-CE2 4.49Å; V80-F82 HydrophobicContact CG1-CZ 4.25Å; V80-D105 WeakPolarHBondContact O-CB 3.31Å
81V96Very high93.9Very high0 Ų039.7 Ų39.70%022%0.218CC..EExtended strand (participates in β ladder)trans-125.6130.1-179.5175.70000109.5V36 V53 A54 L55 D105 L107 W128V36-V81 HydrophobicContact CB-CG2 4.25Å; V36-V81 HydrophobicContact CG1-CG2 3.97Å; V36-V81 HydrophobicContact CG2-CG1 4.15Å; V36-V81 HydrophobicContact CG2-CG2 4.44Å; V53-V81 PolarHBondContact O-N 3.46Å; A54-V81 CarbonylContact C-O 3.35Å; A54-V81 WeakPolarHBondContact CA-O 3.25Å; L55-V81 PolarHBondContact N-O 2.88Å; V81-D105 CarbonylContact C-O 3.56Å; V81-D105 WeakPolarHBondContact CA-O 3.39Å; V81-L107 HydrophobicContact CG1-CB 3.58Å; V81-W128 HydrophobicContact CB-CH2 4.05Å; V81-W128 HydrophobicContact CB-CZ2 4.45Å; V81-W128 HydrophobicContact CG1-CH2 4.34Å; V81-W128 HydrophobicContact CG1-CZ2 4.39Å; V81-W128 HydrophobicContact CG2-CH2 3.47Å; V81-W128 VanDerWaalsContact CG2-CH2 3.47Å; V81-W128 HydrophobicContact CG2-CZ2 3.7Å; V81-W128 HydrophobicContact CG2-CZ3 4.37Å
82F97.2Very high93.7Very high1 Ų141.4 Ų41.40%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-98.3113.2175.9-60-75.7000109.9L55 T57 R65 I68 R69 V80 D105 I106 L107L55-F82 HydrophobicContact CB-CD1 4.01Å; L55-F82 HydrophobicContact CB-CE1 4.38Å; L55-F82 HydrophobicContact CD1-CD1 4.2Å; L55-F82 HydrophobicContact CD1-CE1 3.72Å; T57-F82 HydrophobicContact CG2-CB 4.08Å; T57-F82 HydrophobicContact CG2-CD1 3.49Å; T57-F82 VanDerWaalsContact CG2-CD1 3.49Å; T57-F82 HydrophobicContact CG2-CE1 4.38Å; T57-F82 HydrophobicContact CG2-CG 4.23Å; R65-F82 HydrophobicContact CB-CD1 4.47Å; R65-F82 HydrophobicContact CB-CE1 4.35Å; R65-F82 HydrophobicContact CB-CZ 4.39Å; R65-F82 HydrophobicContact CG-CB 4.34Å; R65-F82 HydrophobicContact CG-CD1 3.78Å; R65-F82 HydrophobicContact CG-CD2 4.4Å; R65-F82 HydrophobicContact CG-CE1 4.08Å; R65-F82 HydrophobicContact CG-CG 3.92Å; I68-F82 HydrophobicContact CB-CE1 4.1Å; I68-F82 HydrophobicContact CB-CZ 4.15Å; I68-F82 HydrophobicContact CD1-CE1 4.03Å; I68-F82 HydrophobicContact CG2-CE1 3.81Å; I68-F82 HydrophobicContact CG2-CZ 3.85Å; R69-F82 HydrophobicContact CG-CE2 3.82Å; R69-F82 HydrophobicContact CG-CZ 3.95Å; V80-F82 HydrophobicContact CG1-CE1 4.5Å; V80-F82 HydrophobicContact CG1-CE2 4.49Å; V80-F82 HydrophobicContact CG1-CZ 4.25Å; F82-D105 HydrophobicContact CD2-CB 4.44Å; F82-D105 WeakPolarHBondContact CE2-OD2 3.26Å; F82-D105 PolarHBondContact N-O 3.48Å; F82-I106 HydrophobicContact CB-CD1 3.96Å; F82-I106 HydrophobicContact CD2-CD1 4.36Å; F82-L107 PolarHBondContact O-N 3.02Å
83A97.1Very high93.6Very high2 Ų243 Ų432%0.01724%0.236CC..EExtended strand (participates in β ladder)trans-89.9126.1178.900000111.2L55 T57 L107 I125L55-A83 PolarHBondContact O-N 3.38Å; T57-A83 PolarHBondContact N-O 2.93Å; A83-L107 CarbonylContact C-O 3.53Å; A83-L107 VanDerWaalsContact CA-O 3.31Å; A83-L107 WeakPolarHBondContact CA-O 3.47Å; A83-L107 HydrophobicContact CB-CD2 4.33Å; A83-I125 HydrophobicContact CB-CD1 3.57Å; A83-I125 HydrophobicContact CB-CG1 3.53Å
84V96.5Very high93.5Very high1 Ų145.8 Ų45.81%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-134.9155.3-177.6-65.20000111.4T57 I96 I106 L107 Q108 A109T57-V84 WeakPolarHBondContact OG1-CG1 3.33Å; V84-I96 HydrophobicContact CG2-CD1 4.31Å; V84-I96 HydrophobicContact CG2-CG1 4.08Å; V84-I106 HydrophobicContact CG2-CG2 3.77Å; V84-L107 PolarHBondContact N-O 3.46Å; V84-Q108 HydrophobicContact CG2-CB 3.95Å; V84-Q108 HydrophobicContact CG2-CG 4.05Å; V84-Q108 WeakPolarHBondContact O-CA 3.25Å; V84-A109 PolarHBondContact O-N 2.79Å
85G94.4Very high93.5Very high0 Ų047.1 Ų47.10%026%0.258CS..EExtended strand (participates in β ladder)trans-96-168.8162.200000112F111 D113G85-F111 CarbonylContact C-O 3.59Å; G85-F111 WeakPolarHBondContact CA-O 3.41Å; G85-D113 PolarHBondContact N-OD2 3.47Å
86K94.7Very high93.6Very high60 Ų6042.5 Ų42.526%0.26124%0.237SC..EExtended strand (participates in β ladder)trans-79.6155.4169.4-67.3-171.9-66.7-163.20112.3L33 N93 D110 F111 I112 D113L33-K86 HydrophobicContact CD1-CD 3.95Å; L33-K86 HydrophobicContact CD1-CG 3.91Å; K86-N93 WeakPolarHBondContact CA-OD1 3.36Å; K86-N93 WeakPolarHBondContact CB-OD1 3.44Å; K86-D110 VanDerWaalsContact CD-OD1 3.24Å; K86-D110 WeakPolarHBondContact CD-OD1 3.39Å; K86-D110 WeakPolarHBondContact CE-OD1 3.3Å; K86-D110 IonicContact NZ-OD1 3.44Å; K86-D110 PolarHBondContact NZ-OD1 2.79Å; K86-D110 IonicContact NZ-OD2 3.26Å; K86-F111 PolarHBondContact N-O 3.14Å; K86-I112 HydrophobicContact CB-CD1 4.11Å; K86-I112 CarbonylContact O-C 3.58Å; K86-I112 WeakPolarHBondContact O-CA 3.35Å; K86-D113 PolarHBondContact O-N 3.44Å
87S94Very high93.7Very high4 Ų446.2 Ų46.23%0.02826%0.255CS..  trans-97.4151.7164.6-1590000110.3E60 H89 N92 N93E60-S87 PolarHBondContact OE1-OG 3.13Å; S87-H89 PolarHBondContact O-N 2.79Å; S87-H89 PolarHBondContact OG-N 2.74Å; S87-N92 PolarHBondContact OG-ND2 2.82Å; S87-N92 VanDerWaalsContact OG-ND2 3.08Å; S87-N93 PolarHBondContact N-OD1 2.92Å; S87-N93 PolarHBondContact O-ND2 2.9Å
88P91.9Very high94.1Very high99 Ų9943.1 Ų43.164%0.64325%0.251SS*.SBendtrans-65-19.3163.227.3-34.3000112.5
89H93Very high94.4Very high123 Ų12343 Ų4357%0.56925%0.249SC*.SBendtrans-89115.5176.8-56.595.6000110.7S87 A91 N92 N93S87-H89 PolarHBondContact O-N 2.79Å; S87-H89 PolarHBondContact OG-N 2.74Å; H89-A91 PolarHBondContact O-N 3.4Å; H89-N92 PolarHBondContact O-N 2.79Å; H89-N92 VanDerWaalsContact O-N 3.1Å; H89-N93 PolarHBondContact O-ND2 2.79Å
90S90.7Very high94.6Very high92 Ų9243.7 Ų43.764%0.64325%0.254SS*.Hα-helixtrans-57.6-33.5-177.755.70000113.9N92 N93 S94S90-N92 VanDerWaalsContact C-N 3.32Å; S90-N92 PolarHBondContact O-N 2.86Å; S90-N93 PolarHBondContact O-N 2.81Å; S90-S94 PolarHBondContact O-N 2.8Å; S90-S94 PolarHBondContact O-OG 3.47Å; S90-S94 VanDerWaalsContact O-OG 3.09Å
91A94.2Very high94.5Very high56 Ų5647.1 Ų47.146%0.46328%0.279SS..Hα-helixtrans-57.7-42.617600000112.2H89 N93 S94 N95H89-A91 PolarHBondContact O-N 3.4Å; A91-N93 VanDerWaalsContact C-N 3.35Å; A91-N93 PolarHBondContact O-N 3.02Å; A91-S94 PolarHBondContact O-N 2.83Å; A91-N95 WeakPolarHBondContact O-CB 3.33Å; A91-N95 PolarHBondContact O-N 2.94Å; A91-N95 PolarHBondContact O-ND2 3.28Å; A91-N95 PolarHBondContact O-OD1 2.97Å
92N94.6Very high94.4Very high39 Ų3952.1 Ų52.121%0.20931%0.305CS..Hα-helixtrans-65.3-39.1177.9-68.5-17.3000111.6I59 E60 S87 H89 S90 S94 N95 I96I59-N92 HydrophobicContact CD1-CB 4.09Å; I59-N92 WeakPolarHBondContact CD1-O 3.47Å; I59-N92 HydrophobicContact CG1-CB 4.2Å; I59-N92 HydrophobicContact CG2-CB 4.43Å; E60-N92 PolarHBondContact OE1-ND2 3.43Å; S87-N92 PolarHBondContact OG-ND2 2.82Å; S87-N92 VanDerWaalsContact OG-ND2 3.08Å; H89-N92 PolarHBondContact O-N 2.79Å; H89-N92 VanDerWaalsContact O-N 3.1Å; S90-N92 VanDerWaalsContact C-N 3.32Å; S90-N92 PolarHBondContact O-N 2.86Å; N92-S94 VanDerWaalsContact C-N 3.29Å; N92-S94 PolarHBondContact O-N 2.8Å; N92-N95 PolarHBondContact O-N 3.08Å; N92-I96 PolarHBondContact O-N 2.8Å
93N93.6Very high94.2Very high34 Ų3457.1 Ų57.118%0.18232%0.324CS..Hα-helixtrans-67.2-29.3175.4-60.9-61.9000112.5I59 K86 S87 H89 S90 A91 I96 I97I59-N93 WeakPolarHBondContact CD1-OD1 3.29Å; K86-N93 WeakPolarHBondContact CA-OD1 3.36Å; K86-N93 WeakPolarHBondContact CB-OD1 3.44Å; S87-N93 PolarHBondContact N-OD1 2.92Å; S87-N93 PolarHBondContact O-ND2 2.9Å; H89-N93 PolarHBondContact O-ND2 2.79Å; S90-N93 PolarHBondContact O-N 2.81Å; A91-N93 VanDerWaalsContact C-N 3.35Å; A91-N93 PolarHBondContact O-N 3.02Å; N93-I96 VanDerWaalsContact O-CG2 3.3Å; N93-I96 WeakPolarHBondContact O-CG2 3.31Å; N93-I97 WeakPolarHBondContact O-CD1 3.09Å; N93-I97 WeakPolarHBondContact O-CG1 3.37Å
94S94.1Very high93.9Very high73 Ų7358.8 Ų58.851%0.5134%0.342SS..Hα-helixtrans-76.1-41.9174.2-53.40000111.2S90 A91 N92 I96 I97 N98S90-S94 PolarHBondContact O-N 2.8Å; S90-S94 PolarHBondContact O-OG 3.47Å; S90-S94 VanDerWaalsContact O-OG 3.09Å; A91-S94 PolarHBondContact O-N 2.83Å; N92-S94 VanDerWaalsContact C-N 3.29Å; N92-S94 PolarHBondContact O-N 2.8Å; S94-I96 PolarHBondContact O-N 3.23Å; S94-I97 PolarHBondContact O-N 3.44Å; S94-N98 PolarHBondContact O-N 3.15Å
95N95.2Very high93.9Very high90 Ų9059.6 Ų59.648%0.48135%0.346SS..Hα-helixtrans-62.8-40.1179.6-69.6-14.1000112.4A91 N92 I97 N98 E99A91-N95 WeakPolarHBondContact O-CB 3.33Å; A91-N95 PolarHBondContact O-N 2.94Å; A91-N95 PolarHBondContact O-ND2 3.28Å; A91-N95 PolarHBondContact O-OD1 2.97Å; N92-N95 PolarHBondContact O-N 3.08Å; N95-I97 VanDerWaalsContact C-N 3.32Å; N95-I97 PolarHBondContact O-N 3.22Å; N95-N98 PolarHBondContact O-N 2.89Å; N95-E99 PolarHBondContact O-N 3.29Å
96I95.4Very high93.9Very high2 Ų259.6 Ų59.61%0.0135%0.346CS..Hα-helixtrans-68.2-31179.3-165.365.8000112.5I59 V84 N92 N93 S94 E99 S100 I106I59-I96 HydrophobicContact CD1-CB 4.14Å; I59-I96 HydrophobicContact CD1-CG2 3.77Å; I59-I96 HydrophobicContact CG1-CB 3.95Å; I59-I96 HydrophobicContact CG1-CG1 4.31Å; I59-I96 HydrophobicContact CG1-CG2 4.16Å; V84-I96 HydrophobicContact CG2-CD1 4.31Å; V84-I96 HydrophobicContact CG2-CG1 4.08Å; N92-I96 PolarHBondContact O-N 2.8Å; N93-I96 VanDerWaalsContact O-CG2 3.3Å; N93-I96 WeakPolarHBondContact O-CG2 3.31Å; S94-I96 PolarHBondContact O-N 3.23Å; I96-E99 WeakPolarHBondContact CD1-OE2 3.41Å; I96-E99 PolarHBondContact O-N 3.41Å; I96-S100 VanDerWaalsContact O-CB 3.31Å; I96-S100 WeakPolarHBondContact O-CB 3.45Å; I96-S100 PolarHBondContact O-N 3.12Å; I96-I106 HydrophobicContact CD1-CD1 4.02Å; I96-I106 HydrophobicContact CD1-CG1 4.11Å; I96-I106 HydrophobicContact CD1-CG2 3.91Å; I96-I106 HydrophobicContact CG1-CG2 3.81Å
97I94.1Very high93.9Very high95 Ų9556.8 Ų56.849%0.48733%0.334SS..Hα-helixtrans-65.2-45.2173-67166.1000109.7N93 S94 N95 S100 S101N93-I97 WeakPolarHBondContact O-CD1 3.09Å; N93-I97 WeakPolarHBondContact O-CG1 3.37Å; S94-I97 PolarHBondContact O-N 3.44Å; N95-I97 VanDerWaalsContact C-N 3.32Å; N95-I97 PolarHBondContact O-N 3.22Å; I97-S100 PolarHBondContact O-N 2.78Å; I97-S101 PolarHBondContact O-N 3.46Å
98N94.9Very high94Very high96 Ų9656.8 Ų56.851%0.51333%0.333SS..Hα-helixtrans-61.9-46.8175.3-174.746.3000111.5S94 N95 S100 S101 I102S94-N98 PolarHBondContact O-N 3.15Å; N95-N98 PolarHBondContact O-N 2.89Å; N98-S100 VanDerWaalsContact C-N 3.32Å; N98-S100 PolarHBondContact O-N 3.36Å; N98-S101 PolarHBondContact O-N 2.97Å; N98-S101 VanDerWaalsContact O-N 3.1Å; N98-S101 PolarHBondContact O-OG 2.84Å; N98-I102 WeakPolarHBondContact O-CG1 3.35Å; N98-I102 PolarHBondContact O-N 2.84Å
99E95.7Very high94.1Very high11 Ų1152.2 Ų52.25%0.05130%0.304CS..Hα-helixtrans-56.9-45.5175-174.5-179.3174.200111.6R65 R69 N95 I96 S101 I102 Y103 I106R65-E99 IonicContact CZ-OE1 3.93Å; R65-E99 IonicContact CZ-OE2 2.75Å; R65-E99 VanDerWaalsContact CZ-OE2 3.29Å; R65-E99 VanDerWaalsContact NE-CD 3.33Å; R65-E99 IonicContact NE-OE1 2.7Å; R65-E99 PolarHBondContact NE-OE1 3.44Å; R65-E99 IonicContact NE-OE2 3.45Å; R65-E99 PolarHBondContact NE-OE2 2.94Å; R65-E99 VanDerWaalsContact NE-OE2 3.12Å; R65-E99 IonicContact NH2-OE1 3.96Å; R65-E99 IonicContact NH2-OE2 3.32Å; R65-E99 PolarHBondContact NH2-OE2 2.8Å; R69-E99 IonicContact CZ-OE1 3.29Å; R69-E99 VanDerWaalsContact CZ-OE1 3.28Å; R69-E99 IonicContact NH1-OE1 3.12Å; R69-E99 PolarHBondContact NH1-OE1 2.92Å; R69-E99 IonicContact NH2-OE1 2.67Å; R69-E99 PolarHBondContact NH2-OE1 3.45Å; N95-E99 PolarHBondContact O-N 3.29Å; I96-E99 WeakPolarHBondContact CD1-OE2 3.41Å; I96-E99 PolarHBondContact O-N 3.41Å; E99-S101 VanDerWaalsContact C-N 3.28Å; E99-S101 PolarHBondContact O-N 3.37Å; E99-I102 PolarHBondContact O-N 3.43Å; E99-I102 VanDerWaalsContact O-N 3.13Å; E99-Y103 HydrophobicContact CG-CD2 3.64Å; E99-Y103 HydrophobicContact CG-CE2 4.01Å; E99-Y103 WeakPolarHBondContact O-CD2 3.25Å; E99-Y103 PolarHBondContact O-N 3.33Å; E99-I106 HydrophobicContact CG-CD1 4.46Å
100S94.4Very high94Very high21 Ų2149.1 Ų49.115%0.14729%0.291CS..Hα-helixtrans-61.5-35.6176.6-171.50000112.7I96 I97 N98 I102 G104I96-S100 VanDerWaalsContact O-CB 3.31Å; I96-S100 WeakPolarHBondContact O-CB 3.45Å; I96-S100 PolarHBondContact O-N 3.12Å; I97-S100 PolarHBondContact O-N 2.78Å; N98-S100 VanDerWaalsContact C-N 3.32Å; N98-S100 PolarHBondContact O-N 3.36Å; S100-I102 VanDerWaalsContact C-N 3.27Å; S100-I102 PolarHBondContact O-N 2.81Å; S100-G104 VanDerWaalsContact O-CA 3.28Å; S100-G104 WeakPolarHBondContact O-CA 3.25Å; S100-G104 PolarHBondContact O-N 3Å
101S92.5Very high94Very high91 Ų9144.9 Ų44.964%0.63626%0.261SS*.Hα-helixtrans-68.4-27.3177.177.20000113I97 N98 E99I97-S101 PolarHBondContact O-N 3.46Å; N98-S101 PolarHBondContact O-N 2.97Å; N98-S101 VanDerWaalsContact O-N 3.1Å; N98-S101 PolarHBondContact O-OG 2.84Å; E99-S101 VanDerWaalsContact C-N 3.28Å; E99-S101 PolarHBondContact O-N 3.37Å
102I93.6Very high93.9Very high105 Ų10545.7 Ų45.754%0.53826%0.257SS..Hα-helixtrans-84-45.8-180-64.6165.1000111N98 E99 S100N98-I102 WeakPolarHBondContact O-CG1 3.35Å; N98-I102 PolarHBondContact O-N 2.84Å; E99-I102 PolarHBondContact O-N 3.43Å; E99-I102 VanDerWaalsContact O-N 3.13Å; S100-I102 VanDerWaalsContact C-N 3.27Å; S100-I102 PolarHBondContact O-N 2.81Å
103Y93Very high93.6Very high105 Ų10544.8 Ų44.841%0.41225%0.252SS..Hα-helixtrans-104.6-23-170.1-62.6-72.1000114.6E99 D105E99-Y103 HydrophobicContact CG-CD2 3.64Å; E99-Y103 HydrophobicContact CG-CE2 4.01Å; E99-Y103 WeakPolarHBondContact O-CD2 3.25Å; E99-Y103 PolarHBondContact O-N 3.33Å; Y103-D105 VanDerWaalsContact CB-OD1 3.25Å; Y103-D105 WeakPolarHBondContact CB-OD1 3.3Å; Y103-D105 PolarHBondContact O-N 3.34Å; Y103-D105 VanDerWaalsContact O-N 3.17Å
104G92.1Very high93.3Very high37 Ų3744 Ų4438%0.38125%0.25SC..SBendtrans64.116.1-18000000115V36 S100V36-G104 VanDerWaalsContact CG1-O 3.31Å; V36-G104 WeakPolarHBondContact CG1-O 3.12Å; S100-G104 VanDerWaalsContact O-CA 3.28Å; S100-G104 WeakPolarHBondContact O-CA 3.25Å; S100-G104 PolarHBondContact O-N 3Å
105D94.8Very high92.8Very high18 Ų1842.9 Ų42.910%0.09624%0.235CC..  trans-118.117.7-169.864.13.7000113.6R69 V80 V81 F82 Y103R69-D105 IonicContact CZ-OD1 2.6Å; R69-D105 IonicContact CZ-OD2 2.79Å; R69-D105 IonicContact NE-OD1 2.61Å; R69-D105 IonicContact NE-OD2 4Å; R69-D105 PolarHBondContact NE-OD2 3.04Å; R69-D105 IonicContact NH2-OD1 2.72Å; R69-D105 PolarHBondContact NH2-OD1 3.39Å; R69-D105 IonicContact NH2-OD2 2.86Å; R69-D105 PolarHBondContact NH2-OD2 3.42Å; V80-D105 WeakPolarHBondContact O-CB 3.31Å; V81-D105 CarbonylContact C-O 3.56Å; V81-D105 WeakPolarHBondContact CA-O 3.39Å; F82-D105 HydrophobicContact CD2-CB 4.44Å; F82-D105 WeakPolarHBondContact CE2-OD2 3.26Å; F82-D105 PolarHBondContact N-O 3.48Å; Y103-D105 VanDerWaalsContact CB-OD1 3.25Å; Y103-D105 WeakPolarHBondContact CB-OD1 3.3Å; Y103-D105 PolarHBondContact O-N 3.34Å; Y103-D105 VanDerWaalsContact O-N 3.17Å
106I95.9Very high92.3Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-102.7121.3-178.3-56-56.2000111.6L34 V36 F82 V84 I96 E99 Q108L34-I106 HydrophobicContact CD1-CG2 4.14Å; V36-I106 VanDerWaalsContact CG2-C 3.47Å; V36-I106 VanDerWaalsContact CG2-O 3.25Å; V36-I106 WeakPolarHBondContact CG2-O 3.38Å; F82-I106 HydrophobicContact CB-CD1 3.96Å; F82-I106 HydrophobicContact CD2-CD1 4.36Å; V84-I106 HydrophobicContact CG2-CG2 3.77Å; I96-I106 HydrophobicContact CD1-CD1 4.02Å; I96-I106 HydrophobicContact CD1-CG1 4.11Å; I96-I106 HydrophobicContact CD1-CG2 3.91Å; I96-I106 HydrophobicContact CG1-CG2 3.81Å; E99-I106 HydrophobicContact CG-CD1 4.46Å; I106-Q108 HydrophobicContact CG2-CB 4.39Å
107L95.2Very high92Very high2 Ų240.3 Ų40.31%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-99.2107.8165.8176.567.2000108.9L32 V81 F82 A83 V84 I125 W128L32-L107 HydrophobicContact CD1-CD1 3.77Å; L32-L107 HydrophobicContact CD2-CD1 3.68Å; L32-L107 HydrophobicContact CD2-CG 4.29Å; L32-L107 HydrophobicContact CG-CD1 4.25Å; V81-L107 HydrophobicContact CG1-CB 3.58Å; F82-L107 PolarHBondContact O-N 3.02Å; A83-L107 CarbonylContact C-O 3.53Å; A83-L107 VanDerWaalsContact CA-O 3.31Å; A83-L107 WeakPolarHBondContact CA-O 3.47Å; A83-L107 HydrophobicContact CB-CD2 4.33Å; V84-L107 PolarHBondContact N-O 3.46Å; L107-I125 HydrophobicContact CD2-CG1 4.22Å; L107-W128 HydrophobicContact CD1-CB 4Å; L107-W128 HydrophobicContact CD1-CG 3.82Å; L107-W128 HydrophobicContact CD2-CB 3.74Å; L107-W128 HydrophobicContact CD2-CD2 4.13Å; L107-W128 HydrophobicContact CD2-CE3 4.44Å; L107-W128 HydrophobicContact CD2-CG 3.82Å; L107-W128 HydrophobicContact CG-CG 4.45Å
108Q95.3Very high91.8Very high4 Ų437.1 Ų37.12%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-107.6122.8-179.2-174.8179.924.200111.4L32 L33 L34 V84 I106L32-Q108 CarbonylContact C-O 3.49Å; L32-Q108 WeakPolarHBondContact CA-O 3.33Å; L33-Q108 HydrophobicContact CB-CB 4.31Å; L33-Q108 HydrophobicContact CB-CG 4.17Å; L33-Q108 HydrophobicContact CD1-CG 4.19Å; L33-Q108 PolarHBondContact N-O 2.82Å; L34-Q108 HydrophobicContact CB-CB 3.87Å; L34-Q108 HydrophobicContact CD1-CB 3.98Å; L34-Q108 HydrophobicContact CG-CB 4.07Å; L34-Q108 PolarHBondContact N-O 2.87Å; L34-Q108 PolarHBondContact O-N 3.37Å; L34-Q108 VanDerWaalsContact O-N 3.13Å; V84-Q108 HydrophobicContact CG2-CB 3.95Å; V84-Q108 HydrophobicContact CG2-CG 4.05Å; V84-Q108 WeakPolarHBondContact O-CA 3.25Å; I106-Q108 HydrophobicContact CG2-CB 4.39Å
109A93Very high91.7Very high2 Ų232.5 Ų32.52%0.01718%0.179CC..EExtended strand (participates in β ladder)trans-98.8147.7175.500000112.5L32 V84 F111 S124L32-A109 HydrophobicContact CD2-CB 4.13Å; V84-A109 PolarHBondContact O-N 2.79Å; A109-F111 HydrophobicContact CB-CD1 3.71Å; A109-F111 HydrophobicContact CB-CE1 3.22Å; A109-F111 HydrophobicContact CB-CZ 3.98Å; A109-F111 PolarHBondContact O-N 2.86Å; A109-S124 WeakPolarHBondContact CB-OG 3.27Å
110D91.3Very high91.5Very high58 Ų5832 Ų3231%0.3118%0.176SC..EExtended strand (participates in β ladder)trans-81.946.2-171.9-165.231.4000114.8T31 L33 K86T31-D110 HydrophobicContact CG2-CB 4.29Å; T31-D110 VanDerWaalsContact O-CB 3.25Å; T31-D110 WeakPolarHBondContact O-CB 3.38Å; T31-D110 PolarHBondContact O-N 2.74Å; L33-D110 HydrophobicContact CD1-CB 4.29Å; L33-D110 HydrophobicContact CD2-CB 4.11Å; L33-D110 HydrophobicContact CG-CB 3.97Å; K86-D110 VanDerWaalsContact CD-OD1 3.24Å; K86-D110 WeakPolarHBondContact CD-OD1 3.39Å; K86-D110 WeakPolarHBondContact CE-OD1 3.3Å; K86-D110 IonicContact NZ-OD1 3.44Å; K86-D110 PolarHBondContact NZ-OD1 2.79Å; K86-D110 IonicContact NZ-OD2 3.26Å
111F90.6Very high91.4Very high3 Ų331.2 Ų31.21%0.01317%0.17CC..EExtended strand (participates in β ladder)trans-136.9155.7174.163.3-97.9000111.1L21 L30 G85 K86 A109 D113 N117 L120 K121L21-F111 HydrophobicContact CD1-CB 3.87Å; L30-F111 HydrophobicContact CD2-CD1 4.21Å; G85-F111 CarbonylContact C-O 3.59Å; G85-F111 WeakPolarHBondContact CA-O 3.41Å; K86-F111 PolarHBondContact N-O 3.14Å; A109-F111 HydrophobicContact CB-CD1 3.71Å; A109-F111 HydrophobicContact CB-CE1 3.22Å; A109-F111 HydrophobicContact CB-CZ 3.98Å; A109-F111 PolarHBondContact O-N 2.86Å; F111-D113 PolarHBondContact O-N 3.34Å; F111-N117 HydrophobicContact CD2-CB 3.77Å; F111-N117 HydrophobicContact CE2-CB 3.96Å; F111-L120 HydrophobicContact CB-CD1 4.31Å; F111-L120 HydrophobicContact CD1-CB 3.83Å; F111-L120 HydrophobicContact CD2-CB 4.38Å; F111-L120 HydrophobicContact CE1-CB 3.8Å; F111-L120 HydrophobicContact CE2-CB 4.41Å; F111-L120 HydrophobicContact CG-CB 4.15Å; F111-L120 HydrophobicContact CG-CD1 4.2Å; F111-L120 HydrophobicContact CZ-CB 4.16Å; F111-K121 HydrophobicContact CE1-CB 4.48Å; F111-K121 HydrophobicContact CE2-CB 4.28Å; F111-K121 HydrophobicContact CZ-CB 3.58Å; F111-K121 HydrophobicContact CZ-CG 4.19Å; F111-K121 VanDerWaalsContact CZ-N 3.31Å
112I92.1Very high91.5Very high74 Ų7427 Ų2738%0.37914%0.141SC..EExtended strand (participates in β ladder)trans-66.1123.3177.7-61.7-62.5000110.3K86 S114 N117K86-I112 HydrophobicContact CB-CD1 4.11Å; K86-I112 CarbonylContact O-C 3.58Å; K86-I112 WeakPolarHBondContact O-CA 3.35Å; I112-S114 PolarHBondContact O-N 3.41Å; I112-S114 VanDerWaalsContact O-N 3.16Å; I112-N117 PolarHBondContact O-ND2 3.39Å
113D88.7Confident91.5Very high19 Ų1922 Ų2210%0.10212%0.116CC..  trans-68.8111.1-179.1-154.2-21.8000110.7G85 K86 F111 K121G85-D113 PolarHBondContact N-OD2 3.47Å; K86-D113 PolarHBondContact O-N 3.44Å; F111-D113 PolarHBondContact O-N 3.34Å; D113-K121 WeakPolarHBondContact OD1-CE 3.42Å; D113-K121 IonicContact OD1-NZ 3.62Å; D113-K121 PolarHBondContact OD1-NZ 2.6Å; D113-K121 WeakPolarHBondContact OD2-CE 3.34Å; D113-K121 IonicContact OD2-NZ 2.74Å; D113-K121 PolarHBondContact OD2-NZ 2.72Å
114S87.8Confident91.5Very high19 Ų1917.2 Ų17.213%0.13310%0.097CC..  trans-146.4159.317884.40000109.6I112 F116 N117 L118I112-S114 PolarHBondContact O-N 3.41Å; I112-S114 VanDerWaalsContact O-N 3.16Å; S114-F116 PolarHBondContact O-N 3.49Å; S114-F116 PolarHBondContact OG-N 3.31Å; S114-N117 PolarHBondContact O-N 3.09Å; S114-N117 PolarHBondContact OG-N 3.39Å; S114-N117 PolarHBondContact OG-ND2 2.85Å; S114-L118 PolarHBondContact O-N 3.47Å
115Y83.6Confident91.7Very high48 Ų4815.4 Ų15.419%0.1888%0.079CC..G310 helixtrans-56.8-35.4173.6-179.8-87.9000111.3N117 L118 K182 Y183Y115-N117 PolarHBondContact O-N 2.8Å; Y115-L118 HydrophobicContact CD2-CD1 3.64Å; Y115-L118 HydrophobicContact CE2-CD1 3.76Å; Y115-L118 HydrophobicContact CG-CD1 4.23Å; Y115-L118 VanDerWaalsContact O-CG 3.31Å; Y115-L118 WeakPolarHBondContact O-CG 3.5Å; Y115-L118 PolarHBondContact O-N 2.65Å; Y115-K182 HydrophobicContact CD1-CB 4.24Å; Y115-K182 HydrophobicContact CE1-CB 3.8Å; Y115-K182 HydrophobicContact CE1-CD 4.37Å; Y115-K182 HydrophobicContact CE1-CG 4.19Å; Y115-K182 VanDerWaalsContact CE1-O 3.25Å; Y115-K182 WeakPolarHBondContact CE1-O 3.46Å; Y115-K182 HydrophobicContact CE2-CD 4.08Å; Y115-Y183 VanDerWaalsContact OH-CD1 3.23Å; Y115-Y183 WeakPolarHBondContact OH-CD1 3.26Å; Y115-Y183 WeakPolarHBondContact OH-CE1 3.37Å
116F83.9Confident91.7Very high28 Ų2814.7 Ų14.712%0.1238%0.075CC..G310 helixtrans-74.3-11.8179.6-65.3-77.2000113.6R11 E14 W15 S114 Y230R11-F116 HydrophobicContact CG-CE1 4.22Å; R11-F116 HydrophobicContact CG-CE2 4.22Å; R11-F116 HydrophobicContact CG-CZ 3.65Å; E14-F116 HydrophobicContact CB-CB 4.5Å; E14-F116 WeakPolarHBondContact OE2-CD2 3.42Å; W15-F116 AromaticContact CD1-CD1 3.74Å; W15-F116 AromaticContact NE1-CD1 3.24Å; W15-F116 AromaticContact NE1-CE1 3.46Å; S114-F116 PolarHBondContact O-N 3.49Å; S114-F116 PolarHBondContact OG-N 3.31Å; F116-Y230 WeakPolarHBondContact O-CE1 3.34Å; F116-Y230 PolarHBondContact O-OH 3.27Å
117N88.9Confident91.6Very high10 Ų1015.9 Ų15.95%0.0538%0.08CC..G310 helixtrans-105.812.8176.6-71.1-25.5000113.1A18 F111 I112 S114 Y115 T119 L120 K121A18-N117 VanDerWaalsContact CB-OD1 3.22Å; A18-N117 WeakPolarHBondContact CB-OD1 3.15Å; F111-N117 HydrophobicContact CD2-CB 3.77Å; F111-N117 HydrophobicContact CE2-CB 3.96Å; I112-N117 PolarHBondContact O-ND2 3.39Å; S114-N117 PolarHBondContact O-N 3.09Å; S114-N117 PolarHBondContact OG-N 3.39Å; S114-N117 PolarHBondContact OG-ND2 2.85Å; Y115-N117 PolarHBondContact O-N 2.8Å; N117-T119 PolarHBondContact O-N 3.4Å; N117-L120 HydrophobicContact CB-CD1 4.22Å; N117-L120 WeakPolarHBondContact O-CB 3.38Å; N117-L120 PolarHBondContact O-N 3.41Å; N117-K121 PolarHBondContact O-N 3.25Å
118L91.1Very high91.6Very high28 Ų2815.8 Ų15.815%0.1478%0.08CC..Hα-helixtrans-56.8-34.1178-77174.7000113S114 Y115 K121 S122 D234S114-L118 PolarHBondContact O-N 3.47Å; Y115-L118 HydrophobicContact CD2-CD1 3.64Å; Y115-L118 HydrophobicContact CE2-CD1 3.76Å; Y115-L118 HydrophobicContact CG-CD1 4.23Å; Y115-L118 VanDerWaalsContact O-CG 3.31Å; Y115-L118 WeakPolarHBondContact O-CG 3.5Å; Y115-L118 PolarHBondContact O-N 2.65Å; L118-K121 WeakPolarHBondContact O-CB 3.1Å; L118-K121 PolarHBondContact O-N 2.92Å; L118-S122 PolarHBondContact O-N 3.09Å; L118-S122 PolarHBondContact O-OG 2.83Å; L118-D234 HydrophobicContact CB-CB 4.14Å
119T91.7Very high91.6Very high0 Ų015.6 Ų15.60%08%0.079CC..Hα-helixtrans-66.5-38.8177.3-56.90000111.7L22 N117 K121 S122 L123 Y230 I231 Y237 F238L22-T119 HydrophobicContact CD1-CG2 4.01Å; N117-T119 PolarHBondContact O-N 3.4Å; T119-K121 VanDerWaalsContact C-N 3.32Å; T119-S122 PolarHBondContact O-N 3Å; T119-L123 WeakPolarHBondContact O-CG 3.35Å; T119-L123 PolarHBondContact O-N 3.17Å; T119-Y230 WeakPolarHBondContact CB-OH 3.13Å; T119-Y230 HydrophobicContact CG2-CE2 4.14Å; T119-I231 PolarHBondContact OG1-O 2.04Å; T119-Y237 HydrophobicContact CG2-CD1 3.71Å; T119-Y237 HydrophobicContact CG2-CE1 3.93Å; T119-Y237 HydrophobicContact CG2-CG 4.44Å; T119-F238 HydrophobicContact CG2-CE2 3.77Å; T119-F238 HydrophobicContact CG2-CZ 3.94Å
120L91.7Very high91.6Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-65.6-37.5173.1-58.3176.8000111.4L21 L22 L30 F111 N117 L123 S124L21-L120 HydrophobicContact CB-CD1 3.65Å; L21-L120 HydrophobicContact CB-CD2 4.03Å; L21-L120 HydrophobicContact CD1-CD1 3.58Å; L21-L120 HydrophobicContact CG-CD1 4.27Å; L22-L120 HydrophobicContact CB-CD2 4.13Å; L22-L120 HydrophobicContact CD1-CD2 4.47Å; L30-L120 HydrophobicContact CD1-CB 4.28Å; L30-L120 HydrophobicContact CD1-CD2 4.3Å; F111-L120 HydrophobicContact CB-CD1 4.31Å; F111-L120 HydrophobicContact CD1-CB 3.83Å; F111-L120 HydrophobicContact CD2-CB 4.38Å; F111-L120 HydrophobicContact CE1-CB 3.8Å; F111-L120 HydrophobicContact CE2-CB 4.41Å; F111-L120 HydrophobicContact CG-CB 4.15Å; F111-L120 HydrophobicContact CG-CD1 4.2Å; F111-L120 HydrophobicContact CZ-CB 4.16Å; N117-L120 HydrophobicContact CB-CD1 4.22Å; N117-L120 WeakPolarHBondContact O-CB 3.38Å; N117-L120 PolarHBondContact O-N 3.41Å; L120-L123 HydrophobicContact CD2-CD1 4.38Å; L120-L123 PolarHBondContact O-N 3.43Å; L120-S124 PolarHBondContact O-N 3.27Å; L120-S124 PolarHBondContact O-OG 3.46Å
121K93.6Very high91.6Very high5 Ų519.6 Ų19.62%0.02210%0.098CC..Hα-helixtrans-60.7-48.6173.3-168173.5-70.7-177.30111.4K56 T57 F111 D113 N117 L118 T119 L123 S124 I125K56-K121 HydrophobicContact CB-CD 4.2Å; K56-K121 HydrophobicContact CD-CD 4.43Å; K56-K121 HydrophobicContact CG-CD 4.01Å; K56-K121 HydrophobicContact CG-CG 4.49Å; T57-K121 PolarHBondContact O-NZ 3.35Å; F111-K121 HydrophobicContact CE1-CB 4.48Å; F111-K121 HydrophobicContact CE2-CB 4.28Å; F111-K121 HydrophobicContact CZ-CB 3.58Å; F111-K121 HydrophobicContact CZ-CG 4.19Å; F111-K121 VanDerWaalsContact CZ-N 3.31Å; D113-K121 WeakPolarHBondContact OD1-CE 3.42Å; D113-K121 IonicContact OD1-NZ 3.62Å; D113-K121 PolarHBondContact OD1-NZ 2.6Å; D113-K121 WeakPolarHBondContact OD2-CE 3.34Å; D113-K121 IonicContact OD2-NZ 2.74Å; D113-K121 PolarHBondContact OD2-NZ 2.72Å; N117-K121 PolarHBondContact O-N 3.25Å; L118-K121 WeakPolarHBondContact O-CB 3.1Å; L118-K121 PolarHBondContact O-N 2.92Å; T119-K121 VanDerWaalsContact C-N 3.32Å; K121-L123 VanDerWaalsContact C-N 3.34Å; K121-L123 PolarHBondContact O-N 2.89Å; K121-S124 WeakPolarHBondContact O-CB 3.18Å; K121-S124 PolarHBondContact O-N 3.42Å; K121-S124 VanDerWaalsContact O-N 3.17Å; K121-I125 HydrophobicContact CG-CD1 4.15Å; K121-I125 WeakPolarHBondContact O-CG1 3.38Å; K121-I125 PolarHBondContact O-N 2.61Å
122S94.5Very high91.7Very high3 Ų320.1 Ų20.12%0.02110%0.101CC..Hα-helixtrans-65.6-35178.3-730000112.3L118 T119 I125 L126 Q141 D234 F238L118-S122 PolarHBondContact O-N 3.09Å; L118-S122 PolarHBondContact O-OG 2.83Å; T119-S122 PolarHBondContact O-N 3Å; S122-I125 PolarHBondContact O-N 3.04Å; S122-L126 WeakPolarHBondContact O-CB 3.46Å; S122-L126 WeakPolarHBondContact O-CG 3.25Å; S122-L126 PolarHBondContact O-N 2.67Å; S122-Q141 PolarHBondContact OG-NE2 3.37Å; S122-D234 PolarHBondContact OG-OD2 3.45Å; S122-F238 VanDerWaalsContact CB-CE2 3.46Å
123L93.4Very high91.6Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-60.8-44.1169.7-73172.9000112.6L22 F25 L30 T119 L120 K121 L126 Q127 L215 F238L22-L123 HydrophobicContact CD1-CD1 4Å; L22-L123 HydrophobicContact CG-CD1 4.49Å; F25-L123 HydrophobicContact CB-CD1 4.32Å; F25-L123 HydrophobicContact CD1-CD1 3.77Å; F25-L123 HydrophobicContact CD1-CD2 4.03Å; F25-L123 HydrophobicContact CD1-CG 4.33Å; F25-L123 HydrophobicContact CD2-CB 4.42Å; F25-L123 HydrophobicContact CD2-CD1 4.43Å; F25-L123 HydrophobicContact CE1-CB 4.27Å; F25-L123 HydrophobicContact CE1-CD1 4.16Å; F25-L123 HydrophobicContact CE1-CD2 3.61Å; F25-L123 HydrophobicContact CE1-CG 4.21Å; F25-L123 HydrophobicContact CE2-CB 4.05Å; F25-L123 HydrophobicContact CG-CD1 3.9Å; F25-L123 HydrophobicContact CZ-CB 3.96Å; F25-L123 HydrophobicContact CZ-CD2 4.05Å; F25-L123 HydrophobicContact CZ-CG 4.41Å; L30-L123 HydrophobicContact CD1-CB 3.86Å; L30-L123 HydrophobicContact CD1-CD1 4.38Å; T119-L123 WeakPolarHBondContact O-CG 3.35Å; T119-L123 PolarHBondContact O-N 3.17Å; L120-L123 HydrophobicContact CD2-CD1 4.38Å; L120-L123 PolarHBondContact O-N 3.43Å; K121-L123 VanDerWaalsContact C-N 3.34Å; K121-L123 PolarHBondContact O-N 2.89Å; L123-L126 PolarHBondContact O-N 3.37Å; L123-Q127 WeakPolarHBondContact O-CB 3.34Å; L123-Q127 PolarHBondContact O-N 3.44Å; L123-L215 HydrophobicContact CD2-CD2 3.94Å; L123-F238 HydrophobicContact CD2-CE1 3.51Å; L123-F238 HydrophobicContact CD2-CE2 4.46Å; L123-F238 HydrophobicContact CD2-CZ 3.29Å; L123-F238 HydrophobicContact CG-CE1 4.26Å; L123-F238 HydrophobicContact CG-CE2 4.37Å; L123-F238 HydrophobicContact CG-CZ 3.53Å
124S93.3Very high91.6Very high3 Ų322 Ų222%0.02113%0.128CC..Hα-helixtrans-64.4-42179.9-54.60000111.3A109 L120 K121 Q127 W128A109-S124 WeakPolarHBondContact CB-OG 3.27Å; L120-S124 PolarHBondContact O-N 3.27Å; L120-S124 PolarHBondContact O-OG 3.46Å; K121-S124 WeakPolarHBondContact O-CB 3.18Å; K121-S124 PolarHBondContact O-N 3.42Å; K121-S124 VanDerWaalsContact O-N 3.17Å; S124-Q127 PolarHBondContact O-N 3.12Å; S124-W128 WeakPolarHBondContact O-CB 3.38Å; S124-W128 PolarHBondContact O-N 2.94Å
125I95.5Very high91.5Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-61.3-48.6173.4-67.5166.4000110.5A54 K56 A83 L107 K121 S122 Q127 W128 M129A54-I125 HydrophobicContact CB-CG2 4.02Å; K56-I125 HydrophobicContact CD-CD1 4.31Å; K56-I125 HydrophobicContact CG-CD1 3.63Å; A83-I125 HydrophobicContact CB-CD1 3.57Å; A83-I125 HydrophobicContact CB-CG1 3.53Å; L107-I125 HydrophobicContact CD2-CG1 4.22Å; K121-I125 HydrophobicContact CG-CD1 4.15Å; K121-I125 WeakPolarHBondContact O-CG1 3.38Å; K121-I125 PolarHBondContact O-N 2.61Å; S122-I125 PolarHBondContact O-N 3.04Å; I125-Q127 VanDerWaalsContact C-N 3.32Å; I125-Q127 PolarHBondContact O-N 2.96Å; I125-W128 PolarHBondContact O-N 3.14Å; I125-M129 HydrophobicContact CG2-CE 3.47Å; I125-M129 VanDerWaalsContact CG2-CE 3.47Å; I125-M129 HydrophobicContact CG2-CG 4.29Å; I125-M129 HydrophobicContact CG2-SD 3.95Å; I125-M129 VanDerWaalsContact O-CG 3.25Å; I125-M129 WeakPolarHBondContact O-CG 3.44Å; I125-M129 PolarHBondContact O-N 3.31Å
126L95.7Very high91.9Very high3 Ų321.9 Ų21.92%0.01613%0.128CC..Hα-helixtrans-61.7-40179.7-72.3169.8000112.1S122 L123 M129 V130 M206 P211 L214 L215 F238S122-L126 WeakPolarHBondContact O-CB 3.46Å; S122-L126 WeakPolarHBondContact O-CG 3.25Å; S122-L126 PolarHBondContact O-N 2.67Å; L123-L126 PolarHBondContact O-N 3.37Å; L126-M129 HydrophobicContact CD2-SD 4.47Å; L126-M129 PolarHBondContact O-N 2.91Å; L126-V130 WeakPolarHBondContact O-CG2 3.37Å; L126-V130 PolarHBondContact O-N 3Å; L126-M206 HydrophobicContact CD2-SD 4.44Å; L126-P211 HydrophobicContact CD2-CB 4.07Å; L126-L214 HydrophobicContact CD1-CB 4.3Å; L126-L214 HydrophobicContact CD1-CD1 4.38Å; L126-L214 HydrophobicContact CD2-CD1 3.96Å; L126-L215 HydrophobicContact CB-CD1 4.34Å; L126-L215 HydrophobicContact CB-CD2 3.85Å; L126-L215 HydrophobicContact CB-CG 4.01Å; L126-L215 HydrophobicContact CD1-CD2 4.34Å; L126-F238 HydrophobicContact CD1-CD1 3.51Å; L126-F238 HydrophobicContact CD1-CD2 4.47Å; L126-F238 HydrophobicContact CD1-CE1 3.71Å; L126-F238 HydrophobicContact CD1-CG 3.97Å; L126-F238 HydrophobicContact CD1-CZ 4.3Å
127Q93.3Very high92.2Very high25 Ų2522.3 Ų22.312%0.11713%0.131CC..Hα-helixtrans-61.3-49.1175.9-175.7-175.2-34.200111A29 L123 S124 I125 M129 V130 E131 L215A29-Q127 VanDerWaalsContact CB-NE2 3.29Å; L123-Q127 WeakPolarHBondContact O-CB 3.34Å; L123-Q127 PolarHBondContact O-N 3.44Å; S124-Q127 PolarHBondContact O-N 3.12Å; I125-Q127 VanDerWaalsContact C-N 3.32Å; I125-Q127 PolarHBondContact O-N 2.96Å; Q127-M129 VanDerWaalsContact C-N 3.29Å; Q127-M129 PolarHBondContact O-N 3.47Å; Q127-V130 PolarHBondContact O-N 2.92Å; Q127-V130 VanDerWaalsContact O-N 3.15Å; Q127-E131 PolarHBondContact O-N 3.34Å; Q127-L215 HydrophobicContact CB-CD1 4.33Å
128W94Very high92.5Very high0 Ų021.9 Ų21.90%013%0.129CC..Hα-helixtrans-60.5-38.3175.9176.980.2000112.4L32 V36 I38 V52 V81 L107 S124 I125 V130 E131 H132L32-W128 HydrophobicContact CD1-CB 4.34Å; V36-W128 HydrophobicContact CB-CZ2 4.2Å; V36-W128 HydrophobicContact CG1-CZ2 4.49Å; V36-W128 PolarHBondContact O-NE1 3.29Å; I38-W128 HydrophobicContact CG2-CH2 3.61Å; I38-W128 HydrophobicContact CG2-CZ2 3.41Å; I38-W128 VanDerWaalsContact CG2-CZ2 3.41Å; V52-W128 HydrophobicContact CG1-CH2 3.59Å; V52-W128 HydrophobicContact CG1-CZ3 3.8Å; V81-W128 HydrophobicContact CB-CH2 4.05Å; V81-W128 HydrophobicContact CB-CZ2 4.45Å; V81-W128 HydrophobicContact CG1-CH2 4.34Å; V81-W128 HydrophobicContact CG1-CZ2 4.39Å; V81-W128 HydrophobicContact CG2-CH2 3.47Å; V81-W128 VanDerWaalsContact CG2-CH2 3.47Å; V81-W128 HydrophobicContact CG2-CZ2 3.7Å; V81-W128 HydrophobicContact CG2-CZ3 4.37Å; L107-W128 HydrophobicContact CD1-CB 4Å; L107-W128 HydrophobicContact CD1-CG 3.82Å; L107-W128 HydrophobicContact CD2-CB 3.74Å; L107-W128 HydrophobicContact CD2-CD2 4.13Å; L107-W128 HydrophobicContact CD2-CE3 4.44Å; L107-W128 HydrophobicContact CD2-CG 3.82Å; L107-W128 HydrophobicContact CG-CG 4.45Å; S124-W128 WeakPolarHBondContact O-CB 3.38Å; S124-W128 PolarHBondContact O-N 2.94Å; I125-W128 PolarHBondContact O-N 3.14Å; W128-V130 PolarHBondContact O-N 2.7Å; W128-E131 PolarHBondContact O-N 3.21Å; W128-H132 AromaticContact CD1-CE1 3.65Å; W128-H132 AromaticContact CD1-ND1 3.83Å; W128-H132 AromaticContact CD2-ND1 3.96Å; W128-H132 AromaticContact CE2-CE1 3.68Å; W128-H132 AromaticContact CE2-ND1 3.6Å; W128-H132 AromaticContact NE1-CE1 3.19Å; W128-H132 PolarHBondContact NE1-CE1 3.25Å; W128-H132 AromaticContact NE1-ND1 3.52Å; W128-H132 PolarHBondContact O-ND1 3.41Å
129M95.2Very high92.8Very high0 Ų020.5 Ų20.50%012%0.122CC..Hα-helixtrans-63.7-39.2174.9-72.2177.7172.100112.2A54 I125 L126 Q127 E131 H132 S133 F139 Q141 M206 P211A54-M129 HydrophobicContact CB-CE 3.65Å; I125-M129 HydrophobicContact CG2-CE 3.47Å; I125-M129 VanDerWaalsContact CG2-CE 3.47Å; I125-M129 HydrophobicContact CG2-CG 4.29Å; I125-M129 HydrophobicContact CG2-SD 3.95Å; I125-M129 VanDerWaalsContact O-CG 3.25Å; I125-M129 WeakPolarHBondContact O-CG 3.44Å; I125-M129 PolarHBondContact O-N 3.31Å; L126-M129 HydrophobicContact CD2-SD 4.47Å; L126-M129 PolarHBondContact O-N 2.91Å; Q127-M129 VanDerWaalsContact C-N 3.29Å; Q127-M129 PolarHBondContact O-N 3.47Å; M129-E131 VanDerWaalsContact C-N 3.31Å; M129-E131 PolarHBondContact O-N 2.93Å; M129-H132 CarbonylContact O-C 3.55Å; M129-H132 PolarHBondContact O-N 3.19Å; M129-H132 VanDerWaalsContact O-N 3.1Å; M129-S133 PolarHBondContact O-N 3.19Å; M129-F139 HydrophobicContact CB-CD1 4.05Å; M129-F139 HydrophobicContact CB-CD2 4.13Å; M129-F139 HydrophobicContact CB-CE1 3.79Å; M129-F139 HydrophobicContact CB-CE2 3.88Å; M129-F139 HydrophobicContact CB-CG 4.2Å; M129-F139 HydrophobicContact CB-CZ 3.7Å; M129-F139 HydrophobicContact CE-CB 3.73Å; M129-F139 HydrophobicContact CE-CD1 4Å; M129-F139 HydrophobicContact CE-CG 4.06Å; M129-F139 HydrophobicContact CG-CB 4.47Å; M129-F139 HydrophobicContact CG-CD1 3.52Å; M129-F139 HydrophobicContact CG-CD2 4.26Å; M129-F139 HydrophobicContact CG-CE1 3.66Å; M129-F139 HydrophobicContact CG-CE2 4.39Å; M129-F139 HydrophobicContact CG-CG 3.82Å; M129-F139 HydrophobicContact CG-CZ 4.1Å; M129-F139 WeakPolarHBondContact O-CZ 3.45Å; M129-F139 HydrophobicContact SD-CB 3.76Å; M129-F139 HydrophobicContact SD-CD1 3.94Å; M129-F139 HydrophobicContact SD-CD2 4.23Å; M129-F139 HydrophobicContact SD-CG 3.71Å; M129-Q141 HydrophobicContact CE-CB 4.44Å; M129-M206 HydrophobicContact SD-CE 4.18Å; M129-M206 HydrophobicContact SD-SD 4.48Å; M129-P211 HydrophobicContact CB-CB 3.86Å; M129-P211 HydrophobicContact CB-CG 3.78Å; M129-P211 HydrophobicContact SD-CG 4.16Å
130V94.2Very high93Very high43 Ų4320.6 Ų20.626%0.26112%0.122SC..Hα-helixtrans-60-42.8177.1167.80000111.4L126 Q127 W128 H132 S133 P211 E212 L215L126-V130 WeakPolarHBondContact O-CG2 3.37Å; L126-V130 PolarHBondContact O-N 3Å; Q127-V130 PolarHBondContact O-N 2.92Å; Q127-V130 VanDerWaalsContact O-N 3.15Å; W128-V130 PolarHBondContact O-N 2.7Å; V130-H132 PolarHBondContact O-N 3.49Å; V130-H132 VanDerWaalsContact O-N 3.11Å; V130-S133 PolarHBondContact O-N 2.81Å; V130-S133 PolarHBondContact O-OG 3.32Å; V130-P211 HydrophobicContact CG2-CB 3.76Å; V130-E212 HydrophobicContact CG2-CB 3.9Å; V130-L215 HydrophobicContact CG2-CD1 3.79Å
131E91.4Very high93.3Very high100 Ų10020.8 Ų20.847%0.46712%0.123SC..Hα-helixtrans-61.1-20.6178.1-67169.2-168.400113.1Q127 W128 M129Q127-E131 PolarHBondContact O-N 3.34Å; W128-E131 PolarHBondContact O-N 3.21Å; M129-E131 VanDerWaalsContact C-N 3.31Å; M129-E131 PolarHBondContact O-N 2.93Å
132H91.1Very high93.4Very high14 Ų1420.6 Ų20.67%0.06512%0.122CC..Hα-helixtrans-116.32.8-176-65.395.1000114.1V36 I38 W128 M129 V130 A134 Q135 F139V36-H132 PolarHBondContact O-CE1 3.41Å; V36-H132 PolarHBondContact O-NE2 2.89Å; I38-H132 HydrophobicContact CD1-CB 3.64Å; I38-H132 HydrophobicContact CG1-CB 4.38Å; W128-H132 AromaticContact CD1-CE1 3.65Å; W128-H132 AromaticContact CD1-ND1 3.83Å; W128-H132 AromaticContact CD2-ND1 3.96Å; W128-H132 AromaticContact CE2-CE1 3.68Å; W128-H132 AromaticContact CE2-ND1 3.6Å; W128-H132 AromaticContact NE1-CE1 3.19Å; W128-H132 PolarHBondContact NE1-CE1 3.25Å; W128-H132 AromaticContact NE1-ND1 3.52Å; W128-H132 PolarHBondContact O-ND1 3.41Å; M129-H132 CarbonylContact O-C 3.55Å; M129-H132 PolarHBondContact O-N 3.19Å; M129-H132 VanDerWaalsContact O-N 3.1Å; V130-H132 PolarHBondContact O-N 3.49Å; V130-H132 VanDerWaalsContact O-N 3.11Å; H132-A134 VanDerWaalsContact C-N 3.26Å; H132-A134 PolarHBondContact O-N 2.87Å; H132-Q135 WeakPolarHBondContact O-CB 3.48Å; H132-Q135 PolarHBondContact O-N 2.72Å; H132-F139 HydrophobicContact CB-CZ 4.49Å
133S90.3Very high93.5Very high33 Ų3322.4 Ų22.423%0.23113%0.132CC..G310 helixtrans-59.2-34-172.657.30000113.4M129 V130 Q135 V136 N208M129-S133 PolarHBondContact O-N 3.19Å; V130-S133 PolarHBondContact O-N 2.81Å; V130-S133 PolarHBondContact O-OG 3.32Å; S133-Q135 PolarHBondContact O-N 3.33Å; S133-V136 VanDerWaalsContact O-O 3.08Å; S133-N208 PolarHBondContact O-ND2 2.96Å
134A88.8Confident93.6Very high101 Ų10122.9 Ų22.984%0.83514%0.135SC*.G310 helixtrans-68.2-13.1177.900000114.3H132H132-A134 VanDerWaalsContact C-N 3.26Å; H132-A134 PolarHBondContact O-N 2.87Å
135Q87.2Confident93.8Very high61 Ų6123.8 Ų23.829%0.28514%0.14SC..G310 helixtrans-102.3-10.4-173-61.7172.31.300113.1I38 I39 K50 H132 S133I38-Q135 HydrophobicContact CD1-CB 4.1Å; I39-Q135 VanDerWaalsContact CG1-NE2 3.34Å; K50-Q135 WeakPolarHBondContact CD-O 3.17Å; H132-Q135 WeakPolarHBondContact O-CB 3.48Å; H132-Q135 PolarHBondContact O-N 2.72Å; S133-Q135 PolarHBondContact O-N 3.33Å
136V90.7Very high93.8Very high3 Ų323.9 Ų23.92%0.01814%0.14CC..  trans-134.2151.7-172-49.30000110.8I38 Y42 K50 V52 S133 F139 N208I38-V136 HydrophobicContact CD1-CG1 3.59Å; Y42-V136 HydrophobicContact CE2-CG1 4.08Å; Y42-V136 VanDerWaalsContact OH-CG1 3.24Å; Y42-V136 WeakPolarHBondContact OH-CG1 2.92Å; K50-V136 CarbonylContact O-C 3.59Å; V52-V136 HydrophobicContact CG2-CG1 3.87Å; S133-V136 VanDerWaalsContact O-O 3.08Å; V136-F139 HydrophobicContact CG2-CD1 4.18Å; V136-F139 HydrophobicContact CG2-CD2 4.15Å; V136-F139 HydrophobicContact CG2-CE1 3.65Å; V136-F139 HydrophobicContact CG2-CE2 3.61Å; V136-F139 HydrophobicContact CG2-CG 4.42Å; V136-F139 HydrophobicContact CG2-CZ 3.33Å; V136-N208 HydrophobicContact CG2-CB 4.2Å; V136-N208 WeakPolarHBondContact O-CB 3.33Å; V136-N208 PolarHBondContact O-ND2 3.18Å
137D91.6Very high93.9Very high37 Ų3723.7 Ų23.720%0.19814%0.14CC..SBendtrans-85.5-32.2170.1-56.1-65.4000111.1P49 K50 R161 N208P49-D137 VanDerWaalsContact CA-OD2 3.22Å; P49-D137 WeakPolarHBondContact CA-OD2 3.47Å; K50-D137 PolarHBondContact N-OD2 2.82Å; K50-D137 PolarHBondContact O-N 3.09Å; D137-R161 IonicContact OD2-CZ 3.53Å; D137-R161 IonicContact OD2-NH1 3.76Å; D137-R161 PolarHBondContact OD2-NH1 2.82Å; D137-N208 PolarHBondContact O-N 3.43Å; D137-N208 VanDerWaalsContact O-N 3.1Å
138F94.9Very high94.1Very high0 Ų022.6 Ų22.60%014%0.135CC..EExtended strand (participates in β ladder)trans-140.2154.1-177.8-58.9-85.4000113.8P49 K50 F51 V52 M157 R160 L205 M206 T207P49-F138 HydrophobicContact CB-CE2 4.46Å; K50-F138 PolarHBondContact O-N 3.39Å; F51-F138 WeakPolarHBondContact CA-O 3.48Å; F51-F138 HydrophobicContact CB-CB 3.92Å; F51-F138 WeakPolarHBondContact CB-O 3.05Å; V52-F138 PolarHBondContact N-O 3.36Å; F138-M157 HydrophobicContact CB-SD 3.42Å; F138-M157 WeakPolarHBondContact CB-SD 3.42Å; F138-M157 HydrophobicContact CD1-SD 4.16Å; F138-M157 HydrophobicContact CD2-CB 4.26Å; F138-M157 HydrophobicContact CD2-CG 4.43Å; F138-M157 HydrophobicContact CD2-SD 3.4Å; F138-M157 WeakPolarHBondContact CD2-SD 3.24Å; F138-M157 HydrophobicContact CE2-CB 4.48Å; F138-M157 WeakPolarHBondContact CE2-O 3.3Å; F138-M157 HydrophobicContact CE2-SD 4.25Å; F138-M157 HydrophobicContact CG-SD 3.37Å; F138-M157 WeakPolarHBondContact CG-SD 3.29Å; F138-R160 HydrophobicContact CE1-CB 4.11Å; F138-R160 VanDerWaalsContact CZ-C 3.44Å; F138-R160 HydrophobicContact CZ-CB 3.86Å; F138-R160 VanDerWaalsContact CZ-O 3.31Å; F138-R160 WeakPolarHBondContact CZ-O 3.46Å; F138-L205 HydrophobicContact CD1-CD1 4.05Å; F138-M206 WeakPolarHBondContact CA-O 3.4Å; F138-T207 HydrophobicContact CD1-CG2 4.22Å; F138-T207 HydrophobicContact CE1-CG2 3.77Å
139F96.2Very high94.2Very high0 Ų022.7 Ų22.70%014%0.135CC..EExtended strand (participates in β ladder)trans-112.2136.7161.8-67.1-74000110V52 M129 H132 V136 L205 M206 N208 P211V52-F139 HydrophobicContact CB-CD1 4.22Å; V52-F139 HydrophobicContact CB-CE1 4.47Å; M129-F139 HydrophobicContact CB-CD1 4.05Å; M129-F139 HydrophobicContact CB-CD2 4.13Å; M129-F139 HydrophobicContact CB-CE1 3.79Å; M129-F139 HydrophobicContact CB-CE2 3.88Å; M129-F139 HydrophobicContact CB-CG 4.2Å; M129-F139 HydrophobicContact CB-CZ 3.7Å; M129-F139 HydrophobicContact CE-CB 3.73Å; M129-F139 HydrophobicContact CE-CD1 4Å; M129-F139 HydrophobicContact CE-CG 4.06Å; M129-F139 HydrophobicContact CG-CB 4.47Å; M129-F139 HydrophobicContact CG-CD1 3.52Å; M129-F139 HydrophobicContact CG-CD2 4.26Å; M129-F139 HydrophobicContact CG-CE1 3.66Å; M129-F139 HydrophobicContact CG-CE2 4.39Å; M129-F139 HydrophobicContact CG-CG 3.82Å; M129-F139 HydrophobicContact CG-CZ 4.1Å; M129-F139 WeakPolarHBondContact O-CZ 3.45Å; M129-F139 HydrophobicContact SD-CB 3.76Å; M129-F139 HydrophobicContact SD-CD1 3.94Å; M129-F139 HydrophobicContact SD-CD2 4.23Å; M129-F139 HydrophobicContact SD-CG 3.71Å; H132-F139 HydrophobicContact CB-CZ 4.49Å; V136-F139 HydrophobicContact CG2-CD1 4.18Å; V136-F139 HydrophobicContact CG2-CD2 4.15Å; V136-F139 HydrophobicContact CG2-CE1 3.65Å; V136-F139 HydrophobicContact CG2-CE2 3.61Å; V136-F139 HydrophobicContact CG2-CG 4.42Å; V136-F139 HydrophobicContact CG2-CZ 3.33Å; F139-L205 CarbonylContact O-C 3.52Å; F139-L205 WeakPolarHBondContact O-CA 3.44Å; F139-M206 HydrophobicContact CB-CG 3.9Å; F139-M206 PolarHBondContact N-O 3.39Å; F139-M206 PolarHBondContact O-N 3.39Å; F139-N208 HydrophobicContact CE2-CB 4.29Å; F139-P211 HydrophobicContact CD2-CG 3.64Å; F139-P211 HydrophobicContact CE2-CG 3.86Å
140V96.8Very high94.1Very high1 Ų123.2 Ų23.21%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-110.2131.2170.8-1780000107F51 V52 V53 A54 L153 M157 F203 L205F51-V140 HydrophobicContact CD2-CG2 4.1Å; V52-V140 PolarHBondContact O-N 3.17Å; V53-V140 CarbonylContact C-O 3.57Å; V53-V140 WeakPolarHBondContact CA-O 3.43Å; V53-V140 HydrophobicContact CB-CB 4.43Å; V53-V140 HydrophobicContact CG1-CB 4.42Å; V53-V140 HydrophobicContact CG1-CG1 4.26Å; V53-V140 HydrophobicContact CG2-CB 4.05Å; V53-V140 HydrophobicContact CG2-CG1 4.37Å; V53-V140 HydrophobicContact CG2-CG2 4.46Å; A54-V140 PolarHBondContact N-O 3.08Å; V140-L153 HydrophobicContact CG1-CD1 4.42Å; V140-L153 HydrophobicContact CG2-CD1 4Å; V140-L153 HydrophobicContact CG2-CD2 4.38Å; V140-M157 HydrophobicContact CG2-CE 3.95Å; V140-M157 HydrophobicContact CG2-SD 4.49Å; V140-F203 HydrophobicContact CG1-CD2 4.35Å; V140-F203 HydrophobicContact CG1-CE2 3.55Å; V140-F203 HydrophobicContact CG1-CZ 3.97Å; V140-L205 HydrophobicContact CG2-CB 4.01Å
141Q97.3Very high94Very high4 Ų427 Ų272%0.01915%0.151CC..EExtended strand (participates in β ladder)trans-127.2140.4176.2-172177.6-23.400110.3A54 S122 M129 F203 F204A54-Q141 VanDerWaalsContact O-CA 3.3Å; A54-Q141 WeakPolarHBondContact O-CA 3.11Å; S122-Q141 PolarHBondContact OG-NE2 3.37Å; M129-Q141 HydrophobicContact CE-CB 4.44Å; Q141-F203 WeakPolarHBondContact O-CA 3.47Å; Q141-F204 HydrophobicContact CB-CD1 4.47Å; Q141-F204 HydrophobicContact CB-CD2 4.48Å; Q141-F204 HydrophobicContact CB-CE1 3.92Å; Q141-F204 HydrophobicContact CB-CE2 4Å; Q141-F204 HydrophobicContact CB-CZ 3.68Å; Q141-F204 VanDerWaalsContact CD-CZ 3.48Å; Q141-F204 HydrophobicContact CG-CE1 4.04Å; Q141-F204 HydrophobicContact CG-CZ 3.89Å; Q141-F204 PolarHBondContact N-O 2.97Å; Q141-F204 PolarHBondContact O-N 3.46Å
142G96.4Very high94Very high1 Ų126.1 Ų26.11%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-160.4177.9175.500000114A54 L55 K56 R202A54-G142 PolarHBondContact O-N 3.3Å; A54-G142 VanDerWaalsContact O-N 3.12Å; L55-G142 WeakPolarHBondContact CA-O 3.43Å; K56-G142 PolarHBondContact N-O 2.91Å; G142-R202 CarbonylContact C-O 3.52Å; G142-R202 WeakPolarHBondContact CA-O 3.42Å
143D96.5Very high94.2Very high41 Ų4125.4 Ų25.422%0.21914%0.141CC..EExtended strand (participates in β ladder)trans-88155.7173.3-68.3-24.7000110.6K56 D145 M146 R202K56-D143 WeakPolarHBondContact CE-OD1 3.45Å; K56-D143 IonicContact NZ-OD1 2.74Å; K56-D143 PolarHBondContact NZ-OD1 2.98Å; D143-D145 WeakPolarHBondContact CB-OD1 3.45Å; D143-D145 PolarHBondContact O-N 2.89Å; D143-M146 HydrophobicContact CB-CG 4.48Å; D143-M146 PolarHBondContact O-N 2.88Å; D143-R202 PolarHBondContact N-O 3.35Å; D143-R202 WeakPolarHBondContact OD2-CA 3.47Å
144S96.6Very high94.1Very high11 Ų1126 Ų268%0.07714%0.14CC..THydrogen-bonded Turntrans-65.4-16.1179.954.70000114.8K56 E61 I68 M146 M286K56-S144 PolarHBondContact O-N 2.63Å; E61-S144 PolarHBondContact OE2-OG 2.96Å; E61-S144 VanDerWaalsContact OE2-OG 3.08Å; I68-S144 WeakPolarHBondContact CD1-O 3.43Å; S144-M146 VanDerWaalsContact C-N 3.31Å; S144-M286 VanDerWaalsContact O-CE 3.29Å; S144-M286 WeakPolarHBondContact O-CE 3.47Å
145D95.6Very high94.2Very high22 Ų2226.8 Ų26.812%0.11813%0.126CC..THydrogen-bonded Turntrans-94.615.6-178.771.3-14.4000113.5D143 G278 E279 L280 K281D143-D145 WeakPolarHBondContact CB-OD1 3.45Å; D143-D145 PolarHBondContact O-N 2.89Å; D145-G278 CarbonylContact O-C 3.44Å; D145-G278 WeakPolarHBondContact O-CA 3.11Å; D145-E279 PolarHBondContact O-N 3.18Å; D145-L280 PolarHBondContact O-N 3.4Å; D145-K281 HydrophobicContact CB-CG 4.29Å
146M97.4Very high94.4Very high1 Ų125 Ų251%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-108.3135.8176.4-61.3-65.4-59.100111.2W72 D143 S144 R202 F203 F258 A276 F277 G278W72-M146 PolarHBondContact NE1-O 3.37Å; D143-M146 HydrophobicContact CB-CG 4.48Å; D143-M146 PolarHBondContact O-N 2.88Å; S144-M146 VanDerWaalsContact C-N 3.31Å; M146-R202 HydrophobicContact CE-CB 4.49Å; M146-R202 HydrophobicContact CG-CB 4.14Å; M146-R202 WeakPolarHBondContact CG-O 3.5Å; M146-R202 HydrophobicContact SD-CB 3.88Å; M146-R202 HydrophobicContact SD-CG 4.36Å; M146-F203 HydrophobicContact CE-CB 4.38Å; M146-F258 HydrophobicContact CE-CD1 4.34Å; M146-F258 HydrophobicContact CE-CE1 4.21Å; M146-A276 HydrophobicContact CE-CB 4.03Å; M146-F277 VanDerWaalsContact CE-C 3.42Å; M146-G278 WeakPolarHBondContact SD-CA 3.43Å
147L97.2Very high94.4Very high0 Ų024.9 Ų24.90%012%0.117CC..EExtended strand (participates in β ladder)trans-101.7126.5167.3-176.7165.2000108.4W72 A276 F277 L280 M286 A289 W290 F293W72-L147 HydrophobicContact CB-CD2 4.42Å; W72-L147 HydrophobicContact CB-CG 4.19Å; W72-L147 HydrophobicContact CG-CG 4.14Å; L147-A276 CarbonylContact O-C 3.56Å; L147-A276 VanDerWaalsContact O-CA 3.23Å; L147-A276 WeakPolarHBondContact O-CA 3.46Å; L147-F277 HydrophobicContact CB-CE1 4.35Å; L147-F277 HydrophobicContact CB-CE2 4.35Å; L147-F277 HydrophobicContact CB-CZ 4.16Å; L147-F277 HydrophobicContact CD1-CE1 4.25Å; L147-F277 HydrophobicContact CD1-CE2 4.28Å; L147-F277 HydrophobicContact CD1-CZ 3.67Å; L147-F277 HydrophobicContact CD2-CD1 4.28Å; L147-F277 HydrophobicContact CD2-CE1 3.53Å; L147-F277 HydrophobicContact CD2-CZ 3.86Å; L147-F277 HydrophobicContact CG-CE1 4.25Å; L147-F277 HydrophobicContact CG-CZ 4.11Å; L147-F277 PolarHBondContact N-O 3.23Å; L147-F277 PolarHBondContact O-N 3.39Å; L147-L280 HydrophobicContact CB-CD1 3.58Å; L147-L280 HydrophobicContact CD1-CD1 4.1Å; L147-M286 HydrophobicContact CB-SD 4.21Å; L147-A289 HydrophobicContact CD1-CB 4.07Å; L147-W290 HydrophobicContact CD1-CB 4.02Å; L147-W290 HydrophobicContact CD1-CE3 4.2Å; L147-W290 HydrophobicContact CD2-CE3 4.27Å; L147-W290 HydrophobicContact CG-CE3 4.38Å; L147-F293 HydrophobicContact CD2-CD1 4.17Å; L147-F293 HydrophobicContact CD2-CG 4.31Å
148V96.8Very high94.2Very high2 Ų226.4 Ų26.41%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-107.7135.2179.6-172.80000109.3W72 P150 L153 F203 V275 A276W72-V148 HydrophobicContact CD2-CB 4.31Å; W72-V148 HydrophobicContact CE3-CB 3.74Å; W72-V148 HydrophobicContact CE3-CG2 4.28Å; W72-V148 HydrophobicContact CH2-CB 4.19Å; W72-V148 HydrophobicContact CH2-CG2 3.83Å; W72-V148 HydrophobicContact CZ2-CG2 4.27Å; W72-V148 HydrophobicContact CZ3-CB 3.65Å; W72-V148 HydrophobicContact CZ3-CG2 3.81Å; V148-P150 WeakPolarHBondContact O-CD 3.45Å; V148-L153 HydrophobicContact CG1-CB 4.15Å; V148-L153 HydrophobicContact CG1-CD1 4.32Å; V148-L153 HydrophobicContact CG1-CD2 4.01Å; V148-L153 HydrophobicContact CG1-CG 4.41Å; V148-F203 HydrophobicContact CB-CE2 4.38Å; V148-F203 HydrophobicContact CG1-CE2 3.78Å; V148-F203 HydrophobicContact CG1-CZ 4.17Å; V148-F203 HydrophobicContact CG2-CD2 3.79Å; V148-F203 HydrophobicContact CG2-CE2 3.6Å; V148-V275 WeakPolarHBondContact CA-O 3.34Å; V148-V275 WeakPolarHBondContact CG1-O 3.39Å; V148-A276 HydrophobicContact CG2-CB 4.15Å
149S95.7Very high93.9Very high2 Ų229.8 Ų29.81%0.01416%0.159CC..  trans-74.4111.2174.6174.70000110K151 R152 L153 A274 V275S149-K151 PolarHBondContact O-N 3.46Å; S149-R152 PolarHBondContact O-N 3.38Å; S149-R152 WeakPolarHBondContact OG-CG 3.27Å; S149-L153 WeakPolarHBondContact O-CB 3.28Å; S149-L153 PolarHBondContact O-N 3.1Å; S149-A274 VanDerWaalsContact CB-O 3.27Å; S149-A274 WeakPolarHBondContact CB-O 3.15Å; S149-V275 PolarHBondContact N-O 2.96Å
150P93.8Very high93.3Very high10 Ų1031.6 Ų31.67%0.06517%0.165CC..Hα-helixtrans-59.9-47.3-173.4-27.839.5000112.5W72 Q75 L76 V148 R152 L153 E154 W290W72-P150 HydrophobicContact CB-CG 4.46Å; W72-P150 VanDerWaalsContact O-CG 3.27Å; W72-P150 WeakPolarHBondContact O-CG 3.43Å; Q75-P150 HydrophobicContact CB-CB 4.1Å; Q75-P150 HydrophobicContact CB-CG 3.89Å; L76-P150 HydrophobicContact CD2-CB 3.76Å; L76-P150 HydrophobicContact CD2-CG 4.4Å; L76-P150 HydrophobicContact CG-CB 4.3Å; V148-P150 WeakPolarHBondContact O-CD 3.45Å; P150-R152 PolarHBondContact O-N 3.36Å; P150-L153 WeakPolarHBondContact O-CB 3.3Å; P150-L153 PolarHBondContact O-N 3.42Å; P150-E154 WeakPolarHBondContact O-CG 3.45Å; P150-E154 PolarHBondContact O-N 3.2Å; P150-W290 HydrophobicContact CG-CH2 4.13Å; P150-W290 HydrophobicContact CG-CZ3 4.41Å
151K91.5Very high92.2Very high122 Ų12234.9 Ų34.953%0.5318%0.178SC..Hα-helixtrans-62.8-41.4179-71.5-179.6171.2-174.30112.7S149 L153 H155 Y297S149-K151 PolarHBondContact O-N 3.46Å; K151-L153 VanDerWaalsContact C-N 3.35Å; K151-H155 WeakPolarHBondContact O-CB 3.41Å; K151-H155 PolarHBondContact O-N 3.38Å; K151-H155 VanDerWaalsContact O-N 3.11Å; K151-Y297 HydrophobicContact CB-CE1 4.13Å; K151-Y297 HydrophobicContact CD-CD1 4.35Å; K151-Y297 HydrophobicContact CD-CE1 3.66Å; K151-Y297 HydrophobicContact CG-CE1 4.47Å
152R92.6Very high91.2Very high82 Ų8244.6 Ų44.631%0.30922%0.216SC..Hα-helixtrans-67.6-39.5177-72.3-70.6-175.7-172.2-5.3110.6S149 P150 H155 L156 C272 Y297S149-R152 PolarHBondContact O-N 3.38Å; S149-R152 WeakPolarHBondContact OG-CG 3.27Å; P150-R152 PolarHBondContact O-N 3.36Å; R152-H155 PolarHBondContact O-N 3.4Å; R152-L156 VanDerWaalsContact O-CG 3.25Å; R152-L156 WeakPolarHBondContact O-CG 3.21Å; R152-L156 PolarHBondContact O-N 3.28Å; R152-C272 PolarHBondContact NE-O 3.43Å; R152-C272 PolarHBondContact NH2-O 2.97Å; R152-Y297 HydrophobicContact CG-CE2 4.06Å
153L93.7Very high90.8Very high0 Ų051.2 Ų51.20%024%0.241CC..Hα-helixtrans-60.5-51.5177-172.265.1000111.3F51 V53 L76 V140 V148 S149 P150 K151 H155 L156 M157 F203F51-L153 HydrophobicContact CD2-CD2 4.29Å; F51-L153 HydrophobicContact CE2-CD2 3.55Å; F51-L153 HydrophobicContact CE2-CG 4.01Å; F51-L153 HydrophobicContact CZ-CD2 4.25Å; F51-L153 HydrophobicContact CZ-CG 4.39Å; V53-L153 HydrophobicContact CG2-CD2 4.2Å; L76-L153 HydrophobicContact CD2-CD2 3.96Å; V140-L153 HydrophobicContact CG1-CD1 4.42Å; V140-L153 HydrophobicContact CG2-CD1 4Å; V140-L153 HydrophobicContact CG2-CD2 4.38Å; V148-L153 HydrophobicContact CG1-CB 4.15Å; V148-L153 HydrophobicContact CG1-CD1 4.32Å; V148-L153 HydrophobicContact CG1-CD2 4.01Å; V148-L153 HydrophobicContact CG1-CG 4.41Å; S149-L153 WeakPolarHBondContact O-CB 3.28Å; S149-L153 PolarHBondContact O-N 3.1Å; P150-L153 WeakPolarHBondContact O-CB 3.3Å; P150-L153 PolarHBondContact O-N 3.42Å; K151-L153 VanDerWaalsContact C-N 3.35Å; L153-H155 VanDerWaalsContact C-N 3.3Å; L153-H155 PolarHBondContact O-N 3.35Å; L153-L156 WeakPolarHBondContact O-CB 3.08Å; L153-L156 PolarHBondContact O-N 3.41Å; L153-L156 VanDerWaalsContact O-N 3.09Å; L153-M157 HydrophobicContact CD1-CE 3.81Å; L153-M157 VanDerWaalsContact O-CG 3.32Å; L153-M157 WeakPolarHBondContact O-CG 3.43Å; L153-M157 PolarHBondContact O-N 2.99Å; L153-F203 HydrophobicContact CD1-CZ 3.96Å
154E89.5Confident90.6Very high45 Ų4556.3 Ų56.321%0.2126%0.263CS..Hα-helixtrans-58.5-41178-71.3175171.700112.4F51 P150 M157 S158F51-E154 HydrophobicContact CE1-CG 4.28Å; F51-E154 HydrophobicContact CZ-CG 4.05Å; P150-E154 WeakPolarHBondContact O-CG 3.45Å; P150-E154 PolarHBondContact O-N 3.2Å; E154-M157 PolarHBondContact O-N 2.85Å; E154-S158 WeakPolarHBondContact O-CB 3.36Å; E154-S158 PolarHBondContact O-N 2.7Å; E154-S158 PolarHBondContact O-OG 2.99Å
155H90.3Very high90.6Very high118 Ų11860.9 Ų60.955%0.54628%0.282SS..Hα-helixtrans-62.4-44174.5-179.376.9000112.1K151 R152 L153 M157 S158 A159K151-H155 WeakPolarHBondContact O-CB 3.41Å; K151-H155 PolarHBondContact O-N 3.38Å; K151-H155 VanDerWaalsContact O-N 3.11Å; R152-H155 PolarHBondContact O-N 3.4Å; L153-H155 VanDerWaalsContact C-N 3.3Å; L153-H155 PolarHBondContact O-N 3.35Å; H155-M157 PolarHBondContact O-N 3.28Å; H155-S158 PolarHBondContact O-N 2.78Å; H155-A159 WeakPolarHBondContact O-CB 3.43Å; H155-A159 PolarHBondContact O-N 2.94Å
156L92Very high90.7Very high23 Ų2361.3 Ų61.312%0.1228%0.282CS..Hα-helixtrans-62.7-40.6177.3-72.6174000112.5R152 L153 S158 R160 L253 V275R152-L156 VanDerWaalsContact O-CG 3.25Å; R152-L156 WeakPolarHBondContact O-CG 3.21Å; R152-L156 PolarHBondContact O-N 3.28Å; L153-L156 WeakPolarHBondContact O-CB 3.08Å; L153-L156 PolarHBondContact O-N 3.41Å; L153-L156 VanDerWaalsContact O-N 3.09Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-R160 WeakPolarHBondContact O-CB 3.37Å; L156-R160 WeakPolarHBondContact O-CG 3.38Å; L156-R160 PolarHBondContact O-N 3.39Å; L156-L253 HydrophobicContact CD1-CD1 4.06Å; L156-L253 HydrophobicContact CD1-CD2 4.15Å; L156-L253 HydrophobicContact CD2-CD1 4.03Å; L156-V275 HydrophobicContact CD1-CB 4.25Å; L156-V275 HydrophobicContact CD1-CG1 3.45Å; L156-V275 VanDerWaalsContact CD1-CG1 3.45Å; L156-V275 HydrophobicContact CD1-CG2 3.73Å
157M90.7Very high90.7Very high0 Ų061.2 Ų61.20%028%0.282CS..Hα-helixtrans-63.3-43.2176.4-63.2-62.6123.300110.6P49 F51 F138 V140 L153 E154 H155 A159 R160 R161 L205P49-M157 HydrophobicContact CB-CB 3.8Å; P49-M157 HydrophobicContact CG-CB 3.49Å; P49-M157 VanDerWaalsContact CG-CB 3.49Å; F51-M157 HydrophobicContact CB-CG 4.27Å; F51-M157 HydrophobicContact CB-SD 3.89Å; F51-M157 HydrophobicContact CD1-CB 4.09Å; F51-M157 HydrophobicContact CD1-CG 3.55Å; F51-M157 HydrophobicContact CD1-SD 4.3Å; F51-M157 HydrophobicContact CD2-CG 4.33Å; F51-M157 HydrophobicContact CE1-CB 4.39Å; F51-M157 HydrophobicContact CE1-CG 3.89Å; F51-M157 HydrophobicContact CG-CG 3.79Å; F51-M157 HydrophobicContact CG-SD 4.01Å; F51-M157 HydrophobicContact CZ-CG 4.41Å; F138-M157 HydrophobicContact CB-SD 3.42Å; F138-M157 WeakPolarHBondContact CB-SD 3.42Å; F138-M157 HydrophobicContact CD1-SD 4.16Å; F138-M157 HydrophobicContact CD2-CB 4.26Å; F138-M157 HydrophobicContact CD2-CG 4.43Å; F138-M157 HydrophobicContact CD2-SD 3.4Å; F138-M157 WeakPolarHBondContact CD2-SD 3.24Å; F138-M157 HydrophobicContact CE2-CB 4.48Å; F138-M157 WeakPolarHBondContact CE2-O 3.3Å; F138-M157 HydrophobicContact CE2-SD 4.25Å; F138-M157 HydrophobicContact CG-SD 3.37Å; F138-M157 WeakPolarHBondContact CG-SD 3.29Å; V140-M157 HydrophobicContact CG2-CE 3.95Å; V140-M157 HydrophobicContact CG2-SD 4.49Å; L153-M157 HydrophobicContact CD1-CE 3.81Å; L153-M157 VanDerWaalsContact O-CG 3.32Å; L153-M157 WeakPolarHBondContact O-CG 3.43Å; L153-M157 PolarHBondContact O-N 2.99Å; E154-M157 PolarHBondContact O-N 2.85Å; H155-M157 PolarHBondContact O-N 3.28Å; M157-A159 PolarHBondContact O-N 3.21Å; M157-R160 PolarHBondContact O-N 3.48Å; M157-R161 PolarHBondContact O-N 2.89Å; M157-R161 VanDerWaalsContact O-N 3.17Å; M157-L205 HydrophobicContact CE-CB 3.92Å; M157-L205 HydrophobicContact CE-CD1 3.73Å; M157-L205 HydrophobicContact CE-CD2 3.51Å; M157-L205 HydrophobicContact CE-CG 3.88Å
158S87.8Confident90.7Very high69 Ų6961.8 Ų61.848%0.48328%0.284SS..Hα-helixtrans-64.7-43.3-179.4-58.60000111.3E154 H155 L156 R160E154-S158 WeakPolarHBondContact O-CB 3.36Å; E154-S158 PolarHBondContact O-N 2.7Å; E154-S158 PolarHBondContact O-OG 2.99Å; H155-S158 PolarHBondContact O-N 2.78Å; L156-S158 VanDerWaalsContact C-N 3.33Å; S158-R160 PolarHBondContact O-N 2.77Å
159A87Confident90.7Very high71 Ų7161.7 Ų61.759%0.58728%0.283SS*.Hα-helixtrans-69.2-15179.700000114.3H155 M157H155-A159 WeakPolarHBondContact O-CB 3.43Å; H155-A159 PolarHBondContact O-N 2.94Å; M157-A159 PolarHBondContact O-N 3.21Å
160R84.2Confident90.7Very high38 Ų3863.2 Ų63.214%0.14329%0.291CS..Hα-helixtrans-117.8-1.8-172.2-68.5176.5178.6149.87.3114.5F138 L156 M157 S158 Y162 R163F138-R160 HydrophobicContact CE1-CB 4.11Å; F138-R160 VanDerWaalsContact CZ-C 3.44Å; F138-R160 HydrophobicContact CZ-CB 3.86Å; F138-R160 VanDerWaalsContact CZ-O 3.31Å; F138-R160 WeakPolarHBondContact CZ-O 3.46Å; L156-R160 WeakPolarHBondContact O-CB 3.37Å; L156-R160 WeakPolarHBondContact O-CG 3.38Å; L156-R160 PolarHBondContact O-N 3.39Å; M157-R160 PolarHBondContact O-N 3.48Å; S158-R160 PolarHBondContact O-N 2.77Å; R160-Y162 PolarHBondContact O-N 2.97Å; R160-R163 HydrophobicContact CB-CG 4.38Å; R160-R163 WeakPolarHBondContact O-CB 3.4Å; R160-R163 WeakPolarHBondContact O-CG 3.3Å; R160-R163 PolarHBondContact O-N 2.92Å
161R74.4Confident90.9Very high71 Ų7164.5 Ų64.527%0.26830%0.298SS..THydrogen-bonded Turntrans-42.8-32.4-169.3-170.4178.8170.4107.32.1116.3Q48 P49 D137 M157Q48-R161 PolarHBondContact O-NH1 2.77Å; P49-R161 VanDerWaalsContact CA-NH1 3.26Å; D137-R161 IonicContact OD2-CZ 3.53Å; D137-R161 IonicContact OD2-NH1 3.76Å; D137-R161 PolarHBondContact OD2-NH1 2.82Å; M157-R161 PolarHBondContact O-N 2.89Å; M157-R161 VanDerWaalsContact O-N 3.17Å
162Y76.6Confident91.1Very high208 Ų20862.4 Ų62.482%0.81629%0.289SS*.THydrogen-bonded Turntrans-105.132.1-175.1-50.6-63.5000113.8R160R160-Y162 PolarHBondContact O-N 2.97Å
163R87.2Confident91.1Very high140 Ų14062.8 Ų62.853%0.52830%0.3SS..  trans-104.2149.8177-61.3-70.8-173.2160.62109.1R160 K166 Y168 T207R160-R163 HydrophobicContact CB-CG 4.38Å; R160-R163 WeakPolarHBondContact O-CB 3.4Å; R160-R163 WeakPolarHBondContact O-CG 3.3Å; R160-R163 PolarHBondContact O-N 2.92Å; R163-K166 HydrophobicContact CB-CG 4.12Å; R163-Y168 WeakPolarHBondContact CG-OH 3.43Å; R163-T207 HydrophobicContact CB-CG2 4.04Å; R163-T207 WeakPolarHBondContact O-CG2 3.44Å
164E92.9Very high91Very high147 Ų14771.6 Ų71.669%0.68733%0.333SS*.  trans-132.5154.6176.6-64.4179.5173.800109.6K166E164-K166 VanDerWaalsContact C-N 3.26Å; E164-K166 WeakPolarHBondContact O-CG 3.44Å; E164-K166 PolarHBondContact O-N 3.14Å
165K96.2Very high91.1Very high108 Ų10870.7 Ų70.747%0.4733%0.331SS..SBendtrans50.741.3179.6-58.5-176.3-179175.20114T207 D209 V248 E249K165-T207 PolarHBondContact N-OG1 3.03Å; K165-T207 VanDerWaalsContact N-OG1 3.08Å; K165-D209 WeakPolarHBondContact CA-OD2 3.37Å; K165-D209 WeakPolarHBondContact CG-OD2 3.23Å; K165-D209 PolarHBondContact N-OD1 2.79Å; K165-D209 VanDerWaalsContact N-OD1 3.16Å; K165-D209 PolarHBondContact N-OD2 3.02Å; K165-V248 HydrophobicContact CB-CG2 4.48Å; K165-E249 PolarHBondContact O-N 3.39Å
166K97.2Very high91.2Very high30 Ų3072.2 Ų72.213%0.1334%0.337CS..EExtended strand (participates in β ladder)trans-119.3139.7179-63-65.2-178.5170.70112.2R163 E164 Y168 M206 T207 E249R163-K166 HydrophobicContact CB-CG 4.12Å; E164-K166 VanDerWaalsContact C-N 3.26Å; E164-K166 WeakPolarHBondContact O-CG 3.44Å; E164-K166 PolarHBondContact O-N 3.14Å; K166-Y168 HydrophobicContact CB-CD2 4.15Å; K166-Y168 HydrophobicContact CB-CE2 3.42Å; K166-Y168 VanDerWaalsContact CB-CE2 3.42Å; K166-Y168 HydrophobicContact CG-CE2 4.11Å; K166-M206 VanDerWaalsContact O-CA 3.25Å; K166-M206 WeakPolarHBondContact O-CA 3.49Å; K166-T207 HydrophobicContact CB-CG2 4.06Å; K166-T207 PolarHBondContact N-OG1 3.22Å; K166-T207 VanDerWaalsContact N-OG1 3.16Å; K166-T207 PolarHBondContact O-N 3.1Å; K166-T207 VanDerWaalsContact O-N 3.09Å; K166-E249 CarbonylContact C-O 3.55Å; K166-E249 WeakPolarHBondContact CA-O 3.23Å; K166-E249 HydrophobicContact CD-CB 4.01Å; K166-E249 HydrophobicContact CD-CG 4.43Å; K166-E249 IonicContact NZ-OE1 3.41Å; K166-E249 PolarHBondContact NZ-OE1 2.92Å; K166-E249 IonicContact NZ-OE2 3.42Å; K166-E249 PolarHBondContact NZ-OE2 2.89Å
167I97.8Very high91Very high0 Ų071.7 Ų71.70%033%0.334CS..EExtended strand (participates in β ladder)trans-117.8127.1162.6-61170.8000108C199 F204 L205 M206 V210 T239 A243 V248 E249 R250 T251I167-C199 HydrophobicContact CG2-CB 4.01Å; I167-F204 HydrophobicContact CG2-CB 4.17Å; I167-F204 HydrophobicContact CG2-CD2 3.91Å; I167-F204 HydrophobicContact CG2-CG 4.41Å; I167-L205 CarbonylContact C-O 3.58Å; I167-L205 WeakPolarHBondContact CA-O 3.33Å; I167-M206 HydrophobicContact CG1-CB 3.99Å; I167-V210 HydrophobicContact CD1-CG1 4.05Å; I167-V210 HydrophobicContact CG1-CG1 3.97Å; I167-T239 HydrophobicContact CD1-CG2 4.42Å; I167-A243 HydrophobicContact CD1-CB 4.07Å; I167-V248 HydrophobicContact CD1-CG1 3.75Å; I167-V248 HydrophobicContact CG1-CG1 3.72Å; I167-E249 PolarHBondContact N-O 3.49Å; I167-R250 HydrophobicContact CB-CG 4.33Å; I167-R250 CarbonylContact O-C 3.56Å; I167-R250 WeakPolarHBondContact O-CA 3.31Å; I167-T251 PolarHBondContact O-N 2.97Å
168Y97.1Very high90.7Very high11 Ų1176.1 Ų76.14%0.04336%0.355CS..EExtended strand (participates in β ladder)trans-112.2128.7174.1-53.8-98.2000110.2R163 K166 F204 L205 T251R163-Y168 WeakPolarHBondContact CG-OH 3.43Å; K166-Y168 HydrophobicContact CB-CD2 4.15Å; K166-Y168 HydrophobicContact CB-CE2 3.42Å; K166-Y168 VanDerWaalsContact CB-CE2 3.42Å; K166-Y168 HydrophobicContact CG-CE2 4.11Å; Y168-F204 CarbonylContact O-C 3.53Å; Y168-F204 WeakPolarHBondContact O-CA 3.49Å; Y168-F204 WeakPolarHBondContact O-CB 3.49Å; Y168-L205 HydrophobicContact CD2-CD1 3.46Å; Y168-L205 VanDerWaalsContact CD2-CD1 3.46Å; Y168-L205 HydrophobicContact CD2-CG 4.2Å; Y168-L205 HydrophobicContact CE2-CD1 4.26Å; Y168-L205 HydrophobicContact CG-CD1 4.13Å; Y168-L205 HydrophobicContact CG-CG 4.48Å; Y168-L205 PolarHBondContact N-O 2.86Å; Y168-L205 PolarHBondContact O-N 3.34Å; Y168-T251 WeakPolarHBondContact CA-O 3.05Å; Y168-T251 HydrophobicContact CD1-CG2 3.8Å; Y168-T251 HydrophobicContact CE1-CG2 3.83Å
169G97Very high90.2Very high0 Ų077.8 Ų77.80%036%0.355CS..EExtended strand (participates in β ladder)trans-177.1-171.3177.800000111.9L171 T251 H252 L253G169-L171 PolarHBondContact O-N 2.82Å; G169-T251 PolarHBondContact N-O 3.43Å; G169-H252 WeakPolarHBondContact O-CA 3.32Å; G169-L253 PolarHBondContact O-N 3.14Å
170L96Very high89.9Confident35 Ų3578.4 Ų78.418%0.18335%0.352CS..EExtended strand (participates in β ladder)trans-69.1104.1173.4-177.367.9000109.9F172 C199 S200 V256 F258L170-F172 HydrophobicContact CD2-CZ 4.22Å; L170-C199 CarbonylContact O-C 3.55Å; L170-C199 WeakPolarHBondContact O-CA 3.39Å; L170-S200 PolarHBondContact O-N 3.22Å; L170-V256 HydrophobicContact CB-CB 4.26Å; L170-V256 HydrophobicContact CB-CG1 4.05Å; L170-F258 HydrophobicContact CB-CZ 4.19Å; L170-F258 HydrophobicContact CD2-CD2 3.68Å; L170-F258 HydrophobicContact CD2-CE1 4.18Å; L170-F258 HydrophobicContact CD2-CE2 3.2Å; L170-F258 HydrophobicContact CD2-CG 4.35Å; L170-F258 HydrophobicContact CD2-CZ 3.45Å; L170-F258 VanDerWaalsContact CD2-CZ 3.45Å; L170-F258 HydrophobicContact CG-CE2 4.48Å; L170-F258 HydrophobicContact CG-CZ 4.45Å
171L96.9Very high89.7Confident37 Ų3786.8 Ų86.819%0.19438%0.383CS..EExtended strand (participates in β ladder)trans-81.9121.4-175.1-17565000112.6G169 T173 P197 R250 H252G169-L171 PolarHBondContact O-N 2.82Å; L171-T173 HydrophobicContact CD2-CG2 4.06Å; L171-T173 HydrophobicContact CG-CG2 4.11Å; L171-P197 HydrophobicContact CD1-CB 3.91Å; L171-R250 HydrophobicContact CD1-CB 3.72Å; L171-H252 HydrophobicContact CB-CB 3.85Å; L171-H252 HydrophobicContact CD2-CB 4.24Å
172F95.6Very high89.9Confident78 Ų7888.1 Ų88.134%0.34239%0.391SS..EExtended strand (participates in β ladder)trans-94.5122163.2-62.2-75.6000109.2L170 P175 P197 F198 F258L170-F172 HydrophobicContact CD2-CZ 4.22Å; F172-P175 HydrophobicContact CB-CB 4.27Å; F172-P175 HydrophobicContact CB-CG 3.88Å; F172-P197 CarbonylContact O-C 3.58Å; F172-P197 WeakPolarHBondContact O-CA 3.15Å; F172-F198 HydrophobicContact CB-CD1 4.42Å; F172-F198 HydrophobicContact CB-CE1 4.27Å; F172-F198 HydrophobicContact CB-CZ 4.3Å; F172-F198 HydrophobicContact CD2-CD2 4.04Å; F172-F198 AromaticContact CD2-CE2 3.48Å; F172-F198 HydrophobicContact CD2-CE2 3.48Å; F172-F198 VanDerWaalsContact CD2-CE2 3.48Å; F172-F198 AromaticContact CD2-CZ 3.75Å; F172-F198 HydrophobicContact CD2-CZ 3.75Å; F172-F198 HydrophobicContact CE2-CE2 4.06Å; F172-F198 HydrophobicContact CE2-CZ 4.42Å; F172-F198 HydrophobicContact CG-CE2 4.37Å; F172-F198 HydrophobicContact CG-CZ 4.26Å; F172-F198 PolarHBondContact N-O 3.08Å; F172-F198 PolarHBondContact O-N 3.35Å; F172-F258 HydrophobicContact CZ-CE2 4.46Å
173T93.5Very high90Very high90 Ų9082.6 Ų82.655%0.55237%0.369SS*.SBendtrans-93-35.8-169.953.20000114.6L171L171-T173 HydrophobicContact CD2-CG2 4.06Å; L171-T173 HydrophobicContact CG-CG2 4.11Å
174R91.7Very high89.8Confident184 Ų18476.9 Ų76.969%0.69435%0.352SS*.SBendtrans-138.953.6179.1-63.4-18061.590-0.4113.6
175P90.4Very high89.4Confident26 Ų2670.2 Ų70.217%0.16932%0.321CS..PPolyproline II helixtrans-75.1132.6-176.527.9-27.9000111.6F172 Y195 F198F172-P175 HydrophobicContact CB-CB 4.27Å; F172-P175 HydrophobicContact CB-CG 3.88Å; P175-Y195 HydrophobicContact CG-CD2 4.39Å; P175-Y195 PolarHBondContact O-N 3Å; P175-F198 HydrophobicContact CB-CE1 3.79Å; P175-F198 HydrophobicContact CB-CZ 4.47Å; P175-F198 HydrophobicContact CG-CD1 3.51Å; P175-F198 HydrophobicContact CG-CE1 3.15Å; P175-F198 HydrophobicContact CG-CZ 4.17Å
176F92.4Very high88.7Confident150 Ų15068 Ų6866%0.65831%0.314SS*.BIsolated β-bridgetrans-70.8140.6173.5-72.9-82.7000111.2Q178 I194F176-Q178 PolarHBondContact O-N 3.23Å; F176-I194 HydrophobicContact CD1-CG1 4.18Å; F176-I194 HydrophobicContact CE1-CD1 4.42Å; F176-I194 HydrophobicContact CE1-CG1 4.23Å
177V88.6Confident88Confident12 Ų1270.5 Ų70.57%0.07333%0.333CS..PPolyproline II helixtrans-67.2127.3171.3-179.30000108.6I185 Y190 H192 R193 Y195V177-I185 HydrophobicContact CG1-CB 3.83Å; V177-I185 HydrophobicContact CG1-CG1 4Å; V177-I185 HydrophobicContact CG1-CG2 4.44Å; V177-Y190 HydrophobicContact CG2-CD1 3.7Å; V177-Y190 HydrophobicContact CG2-CE1 3.6Å; V177-H192 WeakPolarHBondContact CG2-O 3.25Å; V177-R193 PolarHBondContact N-O 3.39Å; V177-Y195 HydrophobicContact CB-CE2 4.25Å; V177-Y195 HydrophobicContact CG1-CE2 4.47Å; V177-Y195 HydrophobicContact CG2-CD1 3.94Å; V177-Y195 HydrophobicContact CG2-CD2 3.94Å; V177-Y195 HydrophobicContact CG2-CE1 3.78Å; V177-Y195 HydrophobicContact CG2-CE2 3.8Å; V177-Y195 HydrophobicContact CG2-CG 4.04Å
178Q83.3Confident87.2Confident93 Ų9372 Ų7244%0.43535%0.349SS..PPolyproline II helixtrans-85.2136.6179-64.9-75.8-12.100109F176 Y183 A184 I185F176-Q178 PolarHBondContact O-N 3.23Å; Q178-Y183 WeakPolarHBondContact CB-O 3.23Å; Q178-Y183 VanDerWaalsContact O-O 3.05Å; Q178-A184 CarbonylContact O-C 3.21Å; Q178-A184 VanDerWaalsContact O-CA 3.31Å; Q178-A184 WeakPolarHBondContact O-CA 3.23Å; Q178-I185 PolarHBondContact O-N 3.31Å
179H78.8Confident86.6Confident104 Ų10471.7 Ų71.748%0.48135%0.349SS..  trans-114.415.8174.2-62-69.8000112I185H179-I185 PolarHBondContact ND1-O 3.4Å; H179-I185 VanDerWaalsContact ND1-O 3.14Å
180V79Confident86.2Confident85 Ų8572.6 Ų72.652%0.51535%0.352SS..SBendtrans-135.5154.2-175.7-63.40000112.1A184V180-A184 PolarHBondContact O-N 3.37Å
181R80.4Confident85.8Confident214 Ų21475.8 Ų75.881%0.80838%0.375SS*.G310 helixtrans57.7-152176.7-55.8-178.4173.1174.2-1.7111.5Y183 A184R181-Y183 PolarHBondContact O-N 2.8Å; R181-Y183 VanDerWaalsContact O-N 3.17Å; R181-A184 WeakPolarHBondContact O-CB 3.34Å; R181-A184 PolarHBondContact O-N 3.49Å
182K79.5Confident85.6Confident98 Ų9879.5 Ų79.543%0.42639%0.391SS..G310 helixtrans-63.2-18.6-177.668.8179.8-171.3171.20114.1Y115 N232Y115-K182 HydrophobicContact CD1-CB 4.24Å; Y115-K182 HydrophobicContact CE1-CB 3.8Å; Y115-K182 HydrophobicContact CE1-CD 4.37Å; Y115-K182 HydrophobicContact CE1-CG 4.19Å; Y115-K182 VanDerWaalsContact CE1-O 3.25Å; Y115-K182 WeakPolarHBondContact CE1-O 3.46Å; Y115-K182 HydrophobicContact CE2-CD 4.08Å; K182-N232 PolarHBondContact O-ND2 3.47Å
183Y79.4Confident85.4Confident93 Ų9385.7 Ų85.737%0.36541%0.412SS..G310 helixtrans-95.45.8-178.8-56.3-69.9000113.5Y115 Q178 R181 I185Y115-Y183 VanDerWaalsContact OH-CD1 3.23Å; Y115-Y183 WeakPolarHBondContact OH-CD1 3.26Å; Y115-Y183 WeakPolarHBondContact OH-CE1 3.37Å; Q178-Y183 WeakPolarHBondContact CB-O 3.23Å; Q178-Y183 VanDerWaalsContact O-O 3.05Å; R181-Y183 PolarHBondContact O-N 2.8Å; R181-Y183 VanDerWaalsContact O-N 3.17Å; Y183-I185 PolarHBondContact O-N 2.87Å
184A82.4Confident85.4Confident20 Ų2084 Ų8417%0.16540%0.399CS..PPolyproline II helixtrans-63.3122.1-176.400000112W15 Q178 V180 R181W15-A184 WeakPolarHBondContact CH2-O 3.44Å; W15-A184 WeakPolarHBondContact CZ2-O 3.18Å; Q178-A184 CarbonylContact O-C 3.21Å; Q178-A184 VanDerWaalsContact O-CA 3.31Å; Q178-A184 WeakPolarHBondContact O-CA 3.23Å; V180-A184 PolarHBondContact O-N 3.37Å; R181-A184 WeakPolarHBondContact O-CB 3.34Å; R181-A184 PolarHBondContact O-N 3.49Å
185I83.5Confident85.6Confident7 Ų775.8 Ų75.84%0.03637%0.368CS..PPolyproline II helixtrans-103.7138.1174.5-58.4-48.5000111.5V177 Q178 H179 Y183 P187 Y195 I231 N232V177-I185 HydrophobicContact CG1-CB 3.83Å; V177-I185 HydrophobicContact CG1-CG1 4Å; V177-I185 HydrophobicContact CG1-CG2 4.44Å; Q178-I185 PolarHBondContact O-N 3.31Å; H179-I185 PolarHBondContact ND1-O 3.4Å; H179-I185 VanDerWaalsContact ND1-O 3.14Å; Y183-I185 PolarHBondContact O-N 2.87Å; I185-P187 WeakPolarHBondContact O-CD 3.29Å; I185-Y195 WeakPolarHBondContact CG1-OH 3.47Å; I185-I231 HydrophobicContact CD1-CB 4.47Å; I185-I231 HydrophobicContact CD1-CG2 3.83Å; I185-I231 HydrophobicContact CG2-CG1 4.26Å; I185-N232 WeakPolarHBondContact CD1-OD1 3.13Å
186N81.8Confident85.8Confident62 Ų6275.5 Ų75.533%0.33237%0.366SS..PPolyproline II helixtrans-65.7121.9169.8-172.2-25.1000110W15 G188 S189 Y190W15-N186 HydrophobicContact CZ3-CB 3.96Å; N186-G188 PolarHBondContact O-N 3.09Å; N186-G188 VanDerWaalsContact O-N 3.13Å; N186-G188 PolarHBondContact OD1-N 3.19Å; N186-S189 WeakPolarHBondContact O-CB 3.49Å; N186-S189 PolarHBondContact O-N 3.37Å; N186-Y190 PolarHBondContact O-N 3.49Å
187P82.2Confident86Confident81 Ų8170.5 Ų70.553%0.52635%0.349SS..THydrogen-bonded Turntrans-56.2-26.9176.3-26.435.6000114.3I185 Y190 P191I185-P187 WeakPolarHBondContact O-CD 3.29Å; P187-Y190 CarbonylContact O-C 3.5Å; P187-P191 WeakPolarHBondContact O-CA 3.42Å
188G82.2Confident86.4Confident33 Ų3370.7 Ų70.734%0.3435%0.349SS..THydrogen-bonded Turntrans-59.6-54.8169.400000110.9N186 Y190 H227N186-G188 PolarHBondContact O-N 3.09Å; N186-G188 VanDerWaalsContact O-N 3.13Å; N186-G188 PolarHBondContact OD1-N 3.19Å; G188-Y190 PolarHBondContact O-N 2.88Å; G188-H227 PolarHBondContact O-CE1 3.5Å; G188-H227 PolarHBondContact O-NE2 2.98Å
189S84.4Confident87.1Confident4 Ų466.2 Ų66.23%0.02833%0.328CS..THydrogen-bonded Turntrans-58.1-31.9-179.9-61.30000114.4N186 R221 H227 Y230N186-S189 WeakPolarHBondContact O-CB 3.49Å; N186-S189 PolarHBondContact O-N 3.37Å; S189-R221 PolarHBondContact O-NH2 3.21Å; S189-R221 VanDerWaalsContact O-NH2 3.15Å; S189-H227 VanDerWaalsContact CA-CE1 3.46Å; S189-H227 WeakPolarHBondContact CA-CE1 3.23Å; S189-H227 PolarHBondContact N-CE1 3.41Å; S189-Y230 WeakPolarHBondContact CB-O 3.22Å; S189-Y230 PolarHBondContact OG-O 3.24Å
190Y88.6Confident87.9Confident18 Ų1861.4 Ų61.47%0.07131%0.306CS..  trans-152.5103.8177.4-166.9-111.8000111.3V177 N186 P187 G188 H192 I194 Y195 P196 I231 I241V177-Y190 HydrophobicContact CG2-CD1 3.7Å; V177-Y190 HydrophobicContact CG2-CE1 3.6Å; N186-Y190 PolarHBondContact O-N 3.49Å; P187-Y190 CarbonylContact O-C 3.5Å; G188-Y190 PolarHBondContact O-N 2.88Å; Y190-H192 VanDerWaalsContact C-N 3.28Å; Y190-H192 HydrophobicContact CD1-CB 4.25Å; Y190-H192 WeakPolarHBondContact CD1-O 3.38Å; Y190-H192 HydrophobicContact CE1-CB 3.62Å; Y190-H192 WeakPolarHBondContact CE1-O 3.19Å; Y190-H192 HydrophobicContact CE2-CB 4.4Å; Y190-H192 AromaticContact CE2-CD2 3.62Å; Y190-H192 AromaticContact CZ-CD2 3.77Å; Y190-H192 PolarHBondContact O-N 3.19Å; Y190-I194 PolarHBondContact OH-O 2.9Å; Y190-Y195 HydrophobicContact CD1-CD1 4.15Å; Y190-Y195 AromaticContact CD1-CE1 3.96Å; Y190-Y195 HydrophobicContact CD1-CE1 3.96Å; Y190-Y195 AromaticContact CE1-CD1 3.63Å; Y190-Y195 HydrophobicContact CE1-CD1 3.63Å; Y190-Y195 AromaticContact CE1-CE1 3.93Å; Y190-Y195 HydrophobicContact CE1-CE1 3.93Å; Y190-Y195 AromaticContact CZ-CD1 3.97Å; Y190-P196 WeakPolarHBondContact OH-CD 3.36Å; Y190-I231 HydrophobicContact CD2-CD1 4.31Å; Y190-I231 HydrophobicContact CG-CD1 4.28Å; Y190-I241 HydrophobicContact CD2-CD1 3.55Å; Y190-I241 HydrophobicContact CD2-CG1 4.33Å; Y190-I241 HydrophobicContact CE2-CD1 3.44Å; Y190-I241 VanDerWaalsContact CE2-CD1 3.44Å; Y190-I241 HydrophobicContact CE2-CG1 3.72Å; Y190-I241 HydrophobicContact CE2-CG2 4.21Å; Y190-I241 HydrophobicContact CG-CD1 4.18Å
191P87.9Confident88.6Confident102 Ų10257.5 Ų57.566%0.66228%0.283SS*.  trans-81-4.3-173.431.4-36.1000114P187P187-P191 WeakPolarHBondContact O-CA 3.42Å
192H90.8Very high89.3Confident115 Ų11550.2 Ų50.253%0.53226%0.255SS..  trans-89.9148.7-178.2-50.2-79.4000111.9V177 Y190V177-H192 WeakPolarHBondContact CG2-O 3.25Å; Y190-H192 VanDerWaalsContact C-N 3.28Å; Y190-H192 HydrophobicContact CD1-CB 4.25Å; Y190-H192 WeakPolarHBondContact CD1-O 3.38Å; Y190-H192 HydrophobicContact CE1-CB 3.62Å; Y190-H192 WeakPolarHBondContact CE1-O 3.19Å; Y190-H192 HydrophobicContact CE2-CB 4.4Å; Y190-H192 AromaticContact CE2-CD2 3.62Å; Y190-H192 AromaticContact CZ-CD2 3.77Å; Y190-H192 PolarHBondContact O-N 3.19Å
193R92.6Very high90.2Very high209 Ų20945.7 Ų45.779%0.78924%0.236SC*.SBendtrans-81.4-18.8-179.4-64.6-176.2176.3-164.3-0.9114.5V177V177-R193 PolarHBondContact N-O 3.39Å
194I94.2Very high91Very high55 Ų5541.7 Ų41.728%0.28222%0.22SC..BIsolated β-bridgetrans-128.9135.5-173.7-60.8175.3000107.4F176 Y190F176-I194 HydrophobicContact CD1-CG1 4.18Å; F176-I194 HydrophobicContact CE1-CD1 4.42Å; F176-I194 HydrophobicContact CE1-CG1 4.23Å; Y190-I194 PolarHBondContact OH-O 2.9Å
195Y94.5Very high91.7Very high11 Ų1140.8 Ų40.84%0.04321%0.212CC..PPolyproline II helixtrans-78.5149.9169.8-62.6-67.9000110.6P175 V177 I185 Y190 F198 A236 I241P175-Y195 HydrophobicContact CG-CD2 4.39Å; P175-Y195 PolarHBondContact O-N 3Å; V177-Y195 HydrophobicContact CB-CE2 4.25Å; V177-Y195 HydrophobicContact CG1-CE2 4.47Å; V177-Y195 HydrophobicContact CG2-CD1 3.94Å; V177-Y195 HydrophobicContact CG2-CD2 3.94Å; V177-Y195 HydrophobicContact CG2-CE1 3.78Å; V177-Y195 HydrophobicContact CG2-CE2 3.8Å; V177-Y195 HydrophobicContact CG2-CG 4.04Å; I185-Y195 WeakPolarHBondContact CG1-OH 3.47Å; Y190-Y195 HydrophobicContact CD1-CD1 4.15Å; Y190-Y195 AromaticContact CD1-CE1 3.96Å; Y190-Y195 HydrophobicContact CD1-CE1 3.96Å; Y190-Y195 AromaticContact CE1-CD1 3.63Å; Y190-Y195 HydrophobicContact CE1-CD1 3.63Å; Y190-Y195 AromaticContact CE1-CE1 3.93Å; Y190-Y195 HydrophobicContact CE1-CE1 3.93Å; Y190-Y195 AromaticContact CZ-CD1 3.97Å; Y195-F198 HydrophobicContact CD2-CE1 4.09Å; Y195-A236 HydrophobicContact CD1-CB 4.19Å; Y195-A236 HydrophobicContact CD2-CB 4.05Å; Y195-A236 HydrophobicContact CE1-CB 4.1Å; Y195-A236 HydrophobicContact CE2-CB 3.93Å; Y195-A236 HydrophobicContact CG-CB 4.13Å; Y195-I241 HydrophobicContact CD1-CD1 3.92Å; Y195-I241 HydrophobicContact CD1-CG1 4.18Å; Y195-I241 HydrophobicContact CE1-CD1 4.03Å
196P95.9Very high92.3Very high19 Ų1940.5 Ų40.512%0.12321%0.211CC..PPolyproline II helixtrans-57.2160.4162.527.7-34.9000110.4Y190 F198 G240 I241 H244Y190-P196 WeakPolarHBondContact OH-CD 3.36Å; P196-F198 PolarHBondContact O-N 2.87Å; P196-G240 VanDerWaalsContact CG-C 3.47Å; P196-I241 HydrophobicContact CG-CB 4.46Å; P196-I241 HydrophobicContact CG-CG1 4.11Å; P196-H244 HydrophobicContact CB-CB 4.03Å; P196-H244 HydrophobicContact CG-CB 4.11Å
197P96.8Very high93Very high46 Ų4637.5 Ų37.530%0.29920%0.195SC..PPolyproline II helixtrans-52133176.9-25.530.1000111.4L171 F172 R250L171-P197 HydrophobicContact CD1-CB 3.91Å; F172-P197 CarbonylContact O-C 3.58Å; F172-P197 WeakPolarHBondContact O-CA 3.15Å; P197-R250 VanDerWaalsContact O-CZ 3.31Å; P197-R250 PolarHBondContact O-NE 3.21Å; P197-R250 PolarHBondContact O-NH2 2.8Å
198F97.2Very high93.6Very high15 Ų1536.1 Ų36.17%0.06618%0.183CC..EExtended strand (participates in β ladder)trans-140151.5-177.577.3-103.2000111.6F172 P175 Y195 P196 D235 A236 T239 G240F172-F198 HydrophobicContact CB-CD1 4.42Å; F172-F198 HydrophobicContact CB-CE1 4.27Å; F172-F198 HydrophobicContact CB-CZ 4.3Å; F172-F198 HydrophobicContact CD2-CD2 4.04Å; F172-F198 AromaticContact CD2-CE2 3.48Å; F172-F198 HydrophobicContact CD2-CE2 3.48Å; F172-F198 VanDerWaalsContact CD2-CE2 3.48Å; F172-F198 AromaticContact CD2-CZ 3.75Å; F172-F198 HydrophobicContact CD2-CZ 3.75Å; F172-F198 HydrophobicContact CE2-CE2 4.06Å; F172-F198 HydrophobicContact CE2-CZ 4.42Å; F172-F198 HydrophobicContact CG-CE2 4.37Å; F172-F198 HydrophobicContact CG-CZ 4.26Å; F172-F198 PolarHBondContact N-O 3.08Å; F172-F198 PolarHBondContact O-N 3.35Å; P175-F198 HydrophobicContact CB-CE1 3.79Å; P175-F198 HydrophobicContact CB-CZ 4.47Å; P175-F198 HydrophobicContact CG-CD1 3.51Å; P175-F198 HydrophobicContact CG-CE1 3.15Å; P175-F198 HydrophobicContact CG-CZ 4.17Å; Y195-F198 HydrophobicContact CD2-CE1 4.09Å; P196-F198 PolarHBondContact O-N 2.87Å; F198-D235 HydrophobicContact CD2-CB 4.37Å; F198-D235 HydrophobicContact CE2-CB 4.43Å; F198-A236 HydrophobicContact CD1-CB 3.94Å; F198-A236 HydrophobicContact CD2-CB 4.39Å; F198-A236 HydrophobicContact CE1-CB 3.77Å; F198-A236 HydrophobicContact CE2-CB 4.3Å; F198-A236 HydrophobicContact CG-CB 4.26Å; F198-A236 HydrophobicContact CZ-CB 4Å; F198-T239 WeakPolarHBondContact CB-OG1 3.23Å; F198-G240 VanDerWaalsContact CB-CA 3.44Å
199C97.2Very high94.3Very high0 Ų036.5 Ų36.50%018%0.178CC..EExtended strand (participates in β ladder)trans-90.8135.8174.5-68.90000110.2I167 L170 F204 T239I167-C199 HydrophobicContact CG2-CB 4.01Å; L170-C199 CarbonylContact O-C 3.55Å; L170-C199 WeakPolarHBondContact O-CA 3.39Å; C199-F204 HydrophobicContact CB-CB 4.18Å; C199-T239 PolarHBondContact N-OG1 2.78Å; C199-T239 PolarHBondContact O-OG1 2.88Å
200S95.8Very high95Very high2 Ų236.3 Ų36.31%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-56.9139.1179.6-169.80000113L170 R202 F203 F204 F258L170-S200 PolarHBondContact O-N 3.22Å; S200-R202 PolarHBondContact O-N 3.41Å; S200-R202 VanDerWaalsContact O-N 3.14Å; S200-F203 PolarHBondContact O-N 3.02Å; S200-F204 WeakPolarHBondContact O-CD1 3.33Å; S200-F258 WeakPolarHBondContact OG-CE2 3.43Å; S200-F258 VanDerWaalsContact OG-CZ 3.23Å; S200-F258 WeakPolarHBondContact OG-CZ 3.24Å
201G94Very high95.4Very high3 Ų335.5 Ų35.53%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-65.4-14.3178.900000115.4D235G201-D235 VanDerWaalsContact CA-CB 3.49Å; G201-D235 PolarHBondContact N-OD2 3.38Å
202R95.1Very high95.8Very high62 Ų6235 Ų3523%0.23416%0.162CC..EExtended strand (participates in β ladder)trans-65-40.6178.7-73.2-171.2178.586.8-8.3112.5G142 D143 M146 S200 F258 E279G142-R202 CarbonylContact C-O 3.52Å; G142-R202 WeakPolarHBondContact CA-O 3.42Å; D143-R202 PolarHBondContact N-O 3.35Å; D143-R202 WeakPolarHBondContact OD2-CA 3.47Å; M146-R202 HydrophobicContact CE-CB 4.49Å; M146-R202 HydrophobicContact CG-CB 4.14Å; M146-R202 WeakPolarHBondContact CG-O 3.5Å; M146-R202 HydrophobicContact SD-CB 3.88Å; M146-R202 HydrophobicContact SD-CG 4.36Å; S200-R202 PolarHBondContact O-N 3.41Å; S200-R202 VanDerWaalsContact O-N 3.14Å; R202-F258 HydrophobicContact CB-CE1 3.63Å; R202-F258 HydrophobicContact CB-CZ 3.7Å; R202-F258 VanDerWaalsContact CD-CE1 3.43Å; R202-F258 HydrophobicContact CG-CE1 4.11Å; R202-F258 HydrophobicContact CG-CZ 4.03Å; R202-E279 IonicContact CZ-OE1 3.54Å; R202-E279 IonicContact NE-OE1 2.67Å; R202-E279 PolarHBondContact NE-OE1 2.8Å; R202-E279 IonicContact NH2-OE1 3.26Å; R202-E279 PolarHBondContact NH2-OE1 2.55Å
203F97.1Very high96.1Very high3 Ų330 Ų301%0.01314%0.141CC..EExtended strand (participates in β ladder)trans-160.9127.1177.6-179-90.6000110.8V140 Q141 M146 V148 L153 S200 L253 V256 V275 A276V140-F203 HydrophobicContact CG1-CD2 4.35Å; V140-F203 HydrophobicContact CG1-CE2 3.55Å; V140-F203 HydrophobicContact CG1-CZ 3.97Å; Q141-F203 WeakPolarHBondContact O-CA 3.47Å; M146-F203 HydrophobicContact CE-CB 4.38Å; V148-F203 HydrophobicContact CB-CE2 4.38Å; V148-F203 HydrophobicContact CG1-CE2 3.78Å; V148-F203 HydrophobicContact CG1-CZ 4.17Å; V148-F203 HydrophobicContact CG2-CD2 3.79Å; V148-F203 HydrophobicContact CG2-CE2 3.6Å; L153-F203 HydrophobicContact CD1-CZ 3.96Å; S200-F203 PolarHBondContact O-N 3.02Å; F203-L253 HydrophobicContact CE1-CD2 3.9Å; F203-V256 HydrophobicContact CB-CG1 4.11Å; F203-V256 HydrophobicContact CD1-CG1 4.34Å; F203-V256 HydrophobicContact CD1-CG2 3.68Å; F203-V256 HydrophobicContact CE1-CG2 4.19Å; F203-V275 HydrophobicContact CE1-CG1 3.87Å; F203-V275 HydrophobicContact CZ-CG1 4.05Å; F203-A276 HydrophobicContact CB-CB 4.17Å; F203-A276 HydrophobicContact CD1-CB 4.02Å; F203-A276 HydrophobicContact CD2-CB 3.8Å; F203-A276 HydrophobicContact CE1-CB 4.38Å; F203-A276 HydrophobicContact CE2-CB 4.18Å; F203-A276 HydrophobicContact CG-CB 3.71Å; F203-A276 HydrophobicContact CZ-CB 4.46Å
204F97.1Very high96.3Very high9 Ų920.1 Ų20.14%0.03910%0.103CC..EExtended strand (participates in β ladder)trans-155.6163.6168.258.9-80000110.1Q141 I167 Y168 C199 S200 M206 T239Q141-F204 HydrophobicContact CB-CD1 4.47Å; Q141-F204 HydrophobicContact CB-CD2 4.48Å; Q141-F204 HydrophobicContact CB-CE1 3.92Å; Q141-F204 HydrophobicContact CB-CE2 4Å; Q141-F204 HydrophobicContact CB-CZ 3.68Å; Q141-F204 VanDerWaalsContact CD-CZ 3.48Å; Q141-F204 HydrophobicContact CG-CE1 4.04Å; Q141-F204 HydrophobicContact CG-CZ 3.89Å; Q141-F204 PolarHBondContact N-O 2.97Å; Q141-F204 PolarHBondContact O-N 3.46Å; I167-F204 HydrophobicContact CG2-CB 4.17Å; I167-F204 HydrophobicContact CG2-CD2 3.91Å; I167-F204 HydrophobicContact CG2-CG 4.41Å; Y168-F204 CarbonylContact O-C 3.53Å; Y168-F204 WeakPolarHBondContact O-CA 3.49Å; Y168-F204 WeakPolarHBondContact O-CB 3.49Å; C199-F204 HydrophobicContact CB-CB 4.18Å; S200-F204 WeakPolarHBondContact O-CD1 3.33Å; F204-M206 HydrophobicContact CD2-CE 3.95Å; F204-M206 HydrophobicContact CE2-CE 3.33Å; F204-M206 HydrophobicContact CZ-CE 4.27Å; F204-T239 HydrophobicContact CD2-CG2 4.18Å; F204-T239 HydrophobicContact CE1-CG2 4.31Å; F204-T239 HydrophobicContact CE2-CG2 3.85Å; F204-T239 HydrophobicContact CG-CG2 4.49Å; F204-T239 HydrophobicContact CZ-CG2 3.94Å
205L96.4Very high96.3Very high0 Ų017.7 Ų17.70%09%0.091CC..EExtended strand (participates in β ladder)trans-128.8152.9169.767.4101.6000109.5F138 F139 V140 M157 I167 Y168 L253F138-L205 HydrophobicContact CD1-CD1 4.05Å; F139-L205 CarbonylContact O-C 3.52Å; F139-L205 WeakPolarHBondContact O-CA 3.44Å; V140-L205 HydrophobicContact CG2-CB 4.01Å; M157-L205 HydrophobicContact CE-CB 3.92Å; M157-L205 HydrophobicContact CE-CD1 3.73Å; M157-L205 HydrophobicContact CE-CD2 3.51Å; M157-L205 HydrophobicContact CE-CG 3.88Å; I167-L205 CarbonylContact C-O 3.58Å; I167-L205 WeakPolarHBondContact CA-O 3.33Å; Y168-L205 HydrophobicContact CD2-CD1 3.46Å; Y168-L205 VanDerWaalsContact CD2-CD1 3.46Å; Y168-L205 HydrophobicContact CD2-CG 4.2Å; Y168-L205 HydrophobicContact CE2-CD1 4.26Å; Y168-L205 HydrophobicContact CG-CD1 4.13Å; Y168-L205 HydrophobicContact CG-CG 4.48Å; Y168-L205 PolarHBondContact N-O 2.86Å; Y168-L205 PolarHBondContact O-N 3.34Å; L205-L253 HydrophobicContact CD2-CD2 3.9Å
206M97.1Very high96.3Very high1 Ų123.3 Ų23.31%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-138.2152.8-179.770.2-170.292.600110.8L126 M129 F138 F139 K166 I167 F204 V210 P211L126-M206 HydrophobicContact CD2-SD 4.44Å; M129-M206 HydrophobicContact SD-CE 4.18Å; M129-M206 HydrophobicContact SD-SD 4.48Å; F138-M206 WeakPolarHBondContact CA-O 3.4Å; F139-M206 HydrophobicContact CB-CG 3.9Å; F139-M206 PolarHBondContact N-O 3.39Å; F139-M206 PolarHBondContact O-N 3.39Å; K166-M206 VanDerWaalsContact O-CA 3.25Å; K166-M206 WeakPolarHBondContact O-CA 3.49Å; I167-M206 HydrophobicContact CG1-CB 3.99Å; F204-M206 HydrophobicContact CD2-CE 3.95Å; F204-M206 HydrophobicContact CE2-CE 3.33Å; F204-M206 HydrophobicContact CZ-CE 4.27Å; M206-V210 HydrophobicContact CB-CB 3.96Å; M206-V210 HydrophobicContact CB-CG1 3.99Å; M206-V210 HydrophobicContact CB-CG2 4.27Å; M206-V210 HydrophobicContact CG-CB 4.12Å; M206-V210 HydrophobicContact CG-CG1 4.25Å; M206-V210 HydrophobicContact SD-CB 4.07Å; M206-V210 HydrophobicContact SD-CG1 3.72Å; M206-P211 HydrophobicContact SD-CG 3.84Å
207T96.5Very high96.3Very high0 Ų022.6 Ų22.60%011%0.108CC..EExtended strand (participates in β ladder)trans-67.8151171.352.80000109.8F138 R163 K165 K166 D209 V210F138-T207 HydrophobicContact CD1-CG2 4.22Å; F138-T207 HydrophobicContact CE1-CG2 3.77Å; R163-T207 HydrophobicContact CB-CG2 4.04Å; R163-T207 WeakPolarHBondContact O-CG2 3.44Å; K165-T207 PolarHBondContact N-OG1 3.03Å; K165-T207 VanDerWaalsContact N-OG1 3.08Å; K166-T207 HydrophobicContact CB-CG2 4.06Å; K166-T207 PolarHBondContact N-OG1 3.22Å; K166-T207 VanDerWaalsContact N-OG1 3.16Å; K166-T207 PolarHBondContact O-N 3.1Å; K166-T207 VanDerWaalsContact O-N 3.09Å; T207-D209 WeakPolarHBondContact CB-OD1 3.39Å; T207-D209 PolarHBondContact O-N 3.27Å; T207-D209 VanDerWaalsContact O-N 3.11Å; T207-D209 PolarHBondContact OG1-OD1 3.34Å; T207-V210 WeakPolarHBondContact O-CB 3.45Å; T207-V210 PolarHBondContact O-N 3.42Å; T207-V210 WeakPolarHBondContact OG1-CG2 3.45Å
208N95Very high96.1Very high51 Ų5120.4 Ų20.427%0.2739%0.094SC..THydrogen-bonded Turntrans-61-19.5-171.867.7-12.3000115.4S133 V136 D137 F139 P211S133-N208 PolarHBondContact O-ND2 2.96Å; V136-N208 HydrophobicContact CG2-CB 4.2Å; V136-N208 WeakPolarHBondContact O-CB 3.33Å; V136-N208 PolarHBondContact O-ND2 3.18Å; D137-N208 PolarHBondContact O-N 3.43Å; D137-N208 VanDerWaalsContact O-N 3.1Å; F139-N208 HydrophobicContact CE2-CB 4.29Å; N208-P211 WeakPolarHBondContact O-CD 3.31Å
209D96.3Very high95.8Very high42 Ų4224.5 Ų24.523%0.22511%0.109CC..THydrogen-bonded Turntrans-81.2-18.3177.768.3-51.4000113.5K165 T207 A213K165-D209 WeakPolarHBondContact CA-OD2 3.37Å; K165-D209 WeakPolarHBondContact CG-OD2 3.23Å; K165-D209 PolarHBondContact N-OD1 2.79Å; K165-D209 VanDerWaalsContact N-OD1 3.16Å; K165-D209 PolarHBondContact N-OD2 3.02Å; T207-D209 WeakPolarHBondContact CB-OD1 3.39Å; T207-D209 PolarHBondContact O-N 3.27Å; T207-D209 VanDerWaalsContact O-N 3.11Å; T207-D209 PolarHBondContact OG1-OD1 3.34Å; D209-A213 PolarHBondContact O-N 3.16Å
210V97.9Very high95.5Very high0 Ų031 Ų310%014%0.139CC..Hα-helixtrans-65.9-45.2-176.2170.40000113.1I167 M206 T207 E212 A213 L214 V248I167-V210 HydrophobicContact CD1-CG1 4.05Å; I167-V210 HydrophobicContact CG1-CG1 3.97Å; M206-V210 HydrophobicContact CB-CB 3.96Å; M206-V210 HydrophobicContact CB-CG1 3.99Å; M206-V210 HydrophobicContact CB-CG2 4.27Å; M206-V210 HydrophobicContact CG-CB 4.12Å; M206-V210 HydrophobicContact CG-CG1 4.25Å; M206-V210 HydrophobicContact SD-CB 4.07Å; M206-V210 HydrophobicContact SD-CG1 3.72Å; T207-V210 WeakPolarHBondContact O-CB 3.45Å; T207-V210 PolarHBondContact O-N 3.42Å; T207-V210 WeakPolarHBondContact OG1-CG2 3.45Å; V210-E212 VanDerWaalsContact C-N 3.31Å; V210-E212 PolarHBondContact O-N 3.33Å; V210-A213 WeakPolarHBondContact O-CB 3.44Å; V210-A213 PolarHBondContact O-N 2.74Å; V210-A213 VanDerWaalsContact O-N 3.1Å; V210-L214 HydrophobicContact CG1-CD1 3.65Å; V210-L214 HydrophobicContact CG1-CD2 4.38Å; V210-L214 HydrophobicContact CG1-CG 3.75Å; V210-L214 WeakPolarHBondContact O-CG 3.04Å; V210-L214 PolarHBondContact O-N 3.12Å; V210-V248 HydrophobicContact CG1-CG1 4.09Å; V210-V248 HydrophobicContact CG1-CG2 4.41Å; V210-V248 HydrophobicContact CG2-CG1 3.86Å; V210-V248 HydrophobicContact CG2-CG2 4.26Å
211P97.2Very high95.2Very high0 Ų032.5 Ų32.50%014%0.144CC..Hα-helixtrans-52.9-45.1-178.3-28.634.8000114L126 M129 V130 F139 M206 N208 L214 L215L126-P211 HydrophobicContact CD2-CB 4.07Å; M129-P211 HydrophobicContact CB-CB 3.86Å; M129-P211 HydrophobicContact CB-CG 3.78Å; M129-P211 HydrophobicContact SD-CG 4.16Å; V130-P211 HydrophobicContact CG2-CB 3.76Å; F139-P211 HydrophobicContact CD2-CG 3.64Å; F139-P211 HydrophobicContact CE2-CG 3.86Å; M206-P211 HydrophobicContact SD-CG 3.84Å; N208-P211 WeakPolarHBondContact O-CD 3.31Å; P211-L214 PolarHBondContact O-N 2.79Å; P211-L215 WeakPolarHBondContact O-CG 3.43Å; P211-L215 PolarHBondContact O-N 3.08Å
212E96.3Very high94.8Very high91 Ų9132.7 Ų32.743%0.42515%0.145SC..Hα-helixtrans-68.2-41.3179-170.6-175.9-166.400111.5V130 V210 L214 L215 R216V130-E212 HydrophobicContact CG2-CB 3.9Å; V210-E212 VanDerWaalsContact C-N 3.31Å; V210-E212 PolarHBondContact O-N 3.33Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 3.27Å; E212-L215 PolarHBondContact O-N 2.8Å; E212-R216 WeakPolarHBondContact O-CB 3.37Å; E212-R216 WeakPolarHBondContact O-CG 3.09Å; E212-R216 PolarHBondContact O-N 2.8Å
213A97.6Very high94.3Very high11 Ų1134.2 Ų34.29%0.09117%0.165CC..Hα-helixtrans-59.1-43.2175.300000111.6D209 V210 A217 A246 V248D209-A213 PolarHBondContact O-N 3.16Å; V210-A213 WeakPolarHBondContact O-CB 3.44Å; V210-A213 PolarHBondContact O-N 2.74Å; V210-A213 VanDerWaalsContact O-N 3.1Å; A213-A217 WeakPolarHBondContact O-CB 3.43Å; A213-A217 PolarHBondContact O-N 3Å; A213-A246 HydrophobicContact CB-CB 4.23Å; A213-V248 HydrophobicContact CB-CG2 4.22Å
214L97.3Very high93.7Very high2 Ų238.5 Ų38.51%0.0120%0.195CC..Hα-helixtrans-65.6-45.5177-64.1-177.9000111.9L126 V210 P211 E212 R216 A217 H218 I242 A243 A246L126-L214 HydrophobicContact CD1-CB 4.3Å; L126-L214 HydrophobicContact CD1-CD1 4.38Å; L126-L214 HydrophobicContact CD2-CD1 3.96Å; V210-L214 HydrophobicContact CG1-CD1 3.65Å; V210-L214 HydrophobicContact CG1-CD2 4.38Å; V210-L214 HydrophobicContact CG1-CG 3.75Å; V210-L214 WeakPolarHBondContact O-CG 3.04Å; V210-L214 PolarHBondContact O-N 3.12Å; P211-L214 PolarHBondContact O-N 2.79Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 3.27Å; L214-R216 PolarHBondContact O-N 3.3Å; L214-A217 PolarHBondContact O-N 3.44Å; L214-H218 VanDerWaalsContact O-CB 3.23Å; L214-H218 WeakPolarHBondContact O-CB 3.22Å; L214-H218 PolarHBondContact O-N 3.41Å; L214-I242 HydrophobicContact CB-CG2 4.01Å; L214-I242 HydrophobicContact CD2-CB 4.42Å; L214-I242 HydrophobicContact CD2-CG2 3.85Å; L214-I242 WeakPolarHBondContact O-CG2 3.31Å; L214-A243 HydrophobicContact CD2-CB 3.85Å; L214-A246 HydrophobicContact CD2-CB 4.49Å
215L94.4Very high93Very high4 Ų440.6 Ų40.62%0.02121%0.207CC..Hα-helixtrans-63.8-39.6178.6-72.7-176.2000112.5F25 L123 L126 Q127 V130 P211 E212 H218 R219F25-L215 HydrophobicContact CE1-CD2 3.85Å; F25-L215 HydrophobicContact CZ-CD2 3.74Å; L123-L215 HydrophobicContact CD2-CD2 3.94Å; L126-L215 HydrophobicContact CB-CD1 4.34Å; L126-L215 HydrophobicContact CB-CD2 3.85Å; L126-L215 HydrophobicContact CB-CG 4.01Å; L126-L215 HydrophobicContact CD1-CD2 4.34Å; Q127-L215 HydrophobicContact CB-CD1 4.33Å; V130-L215 HydrophobicContact CG2-CD1 3.79Å; P211-L215 WeakPolarHBondContact O-CG 3.43Å; P211-L215 PolarHBondContact O-N 3.08Å; E212-L215 PolarHBondContact O-N 2.8Å; L215-H218 PolarHBondContact O-N 2.91Å; L215-R219 WeakPolarHBondContact O-CG 3.48Å; L215-R219 PolarHBondContact O-N 2.93Å
216R94.5Very high91.8Very high129 Ų12951 Ų5149%0.48725%0.252SS..Hα-helixtrans-62.8-49.6174.8-73.9-172.2-66.1-169.7-4.5111.7E212 L214 H218 R219 Q220E212-R216 WeakPolarHBondContact O-CB 3.37Å; E212-R216 WeakPolarHBondContact O-CG 3.09Å; E212-R216 PolarHBondContact O-N 2.8Å; L214-R216 PolarHBondContact O-N 3.3Å; R216-H218 VanDerWaalsContact C-N 3.31Å; R216-H218 PolarHBondContact O-N 2.9Å; R216-R219 PolarHBondContact O-N 2.86Å; R216-Q220 WeakPolarHBondContact O-CG 3.38Å; R216-Q220 PolarHBondContact O-N 2.91Å
217A95.1Very high90.5Very high4 Ų454.3 Ų54.33%0.03327%0.267CS..Hα-helixtrans-64.2-35.7178.300000112.4A213 L214 R221 I242 A245 A246A213-A217 WeakPolarHBondContact O-CB 3.43Å; A213-A217 PolarHBondContact O-N 3Å; L214-A217 PolarHBondContact O-N 3.44Å; A217-R221 WeakPolarHBondContact O-CB 3.22Å; A217-R221 PolarHBondContact O-N 2.99Å; A217-I242 HydrophobicContact CB-CG2 3.85Å; A217-A245 HydrophobicContact CB-CB 4.3Å; A217-A246 HydrophobicContact CB-CB 3.78Å
218H92.6Very high89.1Confident0 Ų054.6 Ų54.60%027%0.269CS..Hα-helixtrans-59.5-52.8172.1168.472.1000111.7F25 L214 L215 R216 Q220 R221 V222 Y237 I242F25-H218 AromaticContact CD1-CD2 3.69Å; F25-H218 AromaticContact CD1-NE2 3.45Å; F25-H218 WeakPolarHBondContact CD1-NE2 3.25Å; F25-H218 AromaticContact CE1-CD2 3.76Å; F25-H218 AromaticContact CE1-NE2 3.99Å; L214-H218 VanDerWaalsContact O-CB 3.23Å; L214-H218 WeakPolarHBondContact O-CB 3.22Å; L214-H218 PolarHBondContact O-N 3.41Å; L215-H218 PolarHBondContact O-N 2.91Å; R216-H218 VanDerWaalsContact C-N 3.31Å; R216-H218 PolarHBondContact O-N 2.9Å; H218-Q220 VanDerWaalsContact C-N 3.33Å; H218-Q220 PolarHBondContact O-N 3.22Å; H218-R221 PolarHBondContact O-N 3.42Å; H218-V222 VanDerWaalsContact CE1-CG2 3.44Å; H218-V222 WeakPolarHBondContact CE1-CG2 3.48Å; H218-V222 WeakPolarHBondContact O-CG2 3.49Å; H218-V222 PolarHBondContact O-N 2.7Å; H218-Y237 PolarHBondContact CE1-OH 2.72Å; H218-Y237 VanDerWaalsContact CE1-OH 3.28Å; H218-Y237 AromaticContact ND1-CE1 3.53Å; H218-Y237 AromaticContact ND1-CZ 3.57Å; H218-Y237 PolarHBondContact ND1-OH 2.73Å; H218-I242 HydrophobicContact CB-CD1 4.34Å; H218-I242 HydrophobicContact CB-CG2 4.29Å
219R90.5Very high88.2Confident101 Ų10152.1 Ų52.138%0.38126%0.256SS..Hα-helixtrans-58.8-43.9179.1-71.5176.6-169132.51.4111.8L215 R216 S223L215-R219 WeakPolarHBondContact O-CG 3.48Å; L215-R219 PolarHBondContact O-N 2.93Å; R216-R219 PolarHBondContact O-N 2.86Å; R219-S223 VanDerWaalsContact O-CB 3.3Å; R219-S223 WeakPolarHBondContact O-CB 3.46Å; R219-S223 PolarHBondContact O-N 3.46Å; R219-S223 PolarHBondContact O-OG 3.02Å
220Q90.7Very high87.4Confident137 Ų13750.6 Ų50.664%0.6425%0.247SC*.Hα-helixtrans-60.7-48.3176.1-73173.4-8.600111.6R216 H218 S223 S224R216-Q220 WeakPolarHBondContact O-CG 3.38Å; R216-Q220 PolarHBondContact O-N 2.91Å; H218-Q220 VanDerWaalsContact C-N 3.33Å; H218-Q220 PolarHBondContact O-N 3.22Å; Q220-S223 PolarHBondContact O-N 2.88Å; Q220-S224 PolarHBondContact O-N 3.08Å; Q220-S224 VanDerWaalsContact O-N 3.14Å
221R89.8Confident86.9Confident33 Ų3350.6 Ų50.613%0.12525%0.247CC..Hα-helixtrans-58.1-54.4178.5178.8-177.2174.6177.60.5111S189 A217 H218 S223 S224 L225 Y237 I242S189-R221 PolarHBondContact O-NH2 3.21Å; S189-R221 VanDerWaalsContact O-NH2 3.15Å; A217-R221 WeakPolarHBondContact O-CB 3.22Å; A217-R221 PolarHBondContact O-N 2.99Å; H218-R221 PolarHBondContact O-N 3.42Å; R221-S223 VanDerWaalsContact C-N 3.29Å; R221-S223 PolarHBondContact O-N 3.45Å; R221-S224 PolarHBondContact O-N 3.35Å; R221-S224 PolarHBondContact O-OG 2.9Å; R221-L225 HydrophobicContact CG-CD1 4.03Å; R221-L225 WeakPolarHBondContact O-CG 3.28Å; R221-L225 PolarHBondContact O-N 3.21Å; R221-Y237 VanDerWaalsContact NH1-CD2 3.34Å; R221-I242 HydrophobicContact CB-CD1 4.2Å
222V86Confident86.2Confident6 Ų650.8 Ų50.84%0.03625%0.248CC..Hα-helixtrans-63.5-37.9-175.9178.80000111.2L22 L23 T26 H218 S224 L225L22-V222 HydrophobicContact CD2-CG1 4.07Å; L22-V222 HydrophobicContact CD2-CG2 3.69Å; L23-V222 HydrophobicContact CD2-CG1 4.14Å; T26-V222 HydrophobicContact CG2-CB 3.55Å; T26-V222 HydrophobicContact CG2-CG1 3.37Å; T26-V222 HydrophobicContact CG2-CG2 4.25Å; H218-V222 VanDerWaalsContact CE1-CG2 3.44Å; H218-V222 WeakPolarHBondContact CE1-CG2 3.48Å; H218-V222 WeakPolarHBondContact O-CG2 3.49Å; H218-V222 PolarHBondContact O-N 2.7Å; V222-S224 PolarHBondContact O-N 3.24Å; V222-L225 PolarHBondContact O-N 3.18Å
223S85.2Confident85.9Confident95 Ų9547 Ų4766%0.66423%0.231SC*.Hα-helixtrans-64.1-25.4175.9-55.80000113.3R219 Q220 R221R219-S223 VanDerWaalsContact O-CB 3.3Å; R219-S223 WeakPolarHBondContact O-CB 3.46Å; R219-S223 PolarHBondContact O-N 3.46Å; R219-S223 PolarHBondContact O-OG 3.02Å; Q220-S223 PolarHBondContact O-N 2.88Å; R221-S223 VanDerWaalsContact C-N 3.29Å; R221-S223 PolarHBondContact O-N 3.45Å
224S85.1Confident85.6Confident92 Ų9247 Ų4764%0.64323%0.229SC*.Hα-helixtrans-86-13.8179.473.90000114.2Q220 R221 V222Q220-S224 PolarHBondContact O-N 3.08Å; Q220-S224 VanDerWaalsContact O-N 3.14Å; R221-S224 PolarHBondContact O-N 3.35Å; R221-S224 PolarHBondContact O-OG 2.9Å; V222-S224 PolarHBondContact O-N 3.24Å
225L80.6Confident85.5Confident54 Ų5448 Ų4828%0.28324%0.235SC..  trans-90.6143.4-174.3-68171.7000111.8R221 V222 H227 G229R221-L225 HydrophobicContact CG-CD1 4.03Å; R221-L225 WeakPolarHBondContact O-CG 3.28Å; R221-L225 PolarHBondContact O-N 3.21Å; V222-L225 PolarHBondContact O-N 3.18Å; L225-H227 WeakPolarHBondContact CB-O 3.34Å; L225-H227 PolarHBondContact O-N 3.06Å; L225-G229 VanDerWaalsContact CD1-CA 3.44Å
226K72Confident85.6Confident217 Ų21747.8 Ų47.894%0.94323%0.234SC*.SBendtrans-74.4-12.4173.6-66.2-173.8178.3-177.20113.4
227H70.5Confident85.6Confident72 Ų7241.7 Ų41.733%0.33321%0.211SC..SBendtrans-135.3170.5176.653.263.6000108.7G188 S189 L225 G229G188-H227 PolarHBondContact O-CE1 3.5Å; G188-H227 PolarHBondContact O-NE2 2.98Å; S189-H227 VanDerWaalsContact CA-CE1 3.46Å; S189-H227 WeakPolarHBondContact CA-CE1 3.23Å; S189-H227 PolarHBondContact N-CE1 3.41Å; L225-H227 WeakPolarHBondContact CB-O 3.34Å; L225-H227 PolarHBondContact O-N 3.06Å; H227-G229 PolarHBondContact ND1-N 3.2Å; H227-G229 VanDerWaalsContact ND1-N 3.19Å; H227-G229 PolarHBondContact O-N 3.05Å
228S67Low85.7Confident5 Ų541.9 Ų41.94%0.03521%0.211CC..  trans-42.6-38.4-178.668.60000114.6E19 L22 Y230E19-S228 VanDerWaalsContact CG-OG 3.23Å; E19-S228 WeakPolarHBondContact CG-OG 3.31Å; E19-S228 PolarHBondContact OE1-OG 3.17Å; L22-S228 VanDerWaalsContact CD2-O 3.22Å; L22-S228 WeakPolarHBondContact CD2-O 3.18Å; S228-Y230 PolarHBondContact O-N 3.01Å; S228-Y230 PolarHBondContact OG-N 3.46Å; S228-Y230 VanDerWaalsContact OG-N 3.09Å
229G75.6Confident85.9Confident0 Ų042 Ų420%021%0.212CC..  trans73.817.4-172.200000112.7L225 H227 I231L225-G229 VanDerWaalsContact CD1-CA 3.44Å; H227-G229 PolarHBondContact ND1-N 3.2Å; H227-G229 VanDerWaalsContact ND1-N 3.19Å; H227-G229 PolarHBondContact O-N 3.05Å; G229-I231 PolarHBondContact O-N 2.88Å
230Y80.3Confident86.2Confident10 Ų1037.1 Ų37.14%0.03919%0.193CC..  trans-63.8129.9-173.5-169.1-98.2000111.7A18 E19 L22 F116 T119 S189 S228 N232A18-Y230 HydrophobicContact CB-CD1 4.34Å; A18-Y230 HydrophobicContact CB-CD2 4.21Å; A18-Y230 HydrophobicContact CB-CE1 3.9Å; A18-Y230 HydrophobicContact CB-CE2 3.85Å; A18-Y230 HydrophobicContact CB-CG 4.5Å; E19-Y230 HydrophobicContact CG-CG 4.34Å; L22-Y230 HydrophobicContact CB-CD2 4.16Å; L22-Y230 HydrophobicContact CD1-CD2 3.6Å; L22-Y230 HydrophobicContact CD1-CE2 3.9Å; L22-Y230 HydrophobicContact CG-CD2 4.35Å; F116-Y230 WeakPolarHBondContact O-CE1 3.34Å; F116-Y230 PolarHBondContact O-OH 3.27Å; T119-Y230 WeakPolarHBondContact CB-OH 3.13Å; T119-Y230 HydrophobicContact CG2-CE2 4.14Å; S189-Y230 WeakPolarHBondContact CB-O 3.22Å; S189-Y230 PolarHBondContact OG-O 3.24Å; S228-Y230 PolarHBondContact O-N 3.01Å; S228-Y230 PolarHBondContact OG-N 3.46Å; S228-Y230 VanDerWaalsContact OG-N 3.09Å; Y230-N232 HydrophobicContact CE1-CB 3.78Å
231I85.8Confident86.5Confident0 Ų031.5 Ų31.50%017%0.167CC..  trans-131117.7176.2-69.7172000105.7T119 I185 Y190 G229 T233 Y237 I241T119-I231 PolarHBondContact OG1-O 2.04Å; I185-I231 HydrophobicContact CD1-CB 4.47Å; I185-I231 HydrophobicContact CD1-CG2 3.83Å; I185-I231 HydrophobicContact CG2-CG1 4.26Å; Y190-I231 HydrophobicContact CD2-CD1 4.31Å; Y190-I231 HydrophobicContact CG-CD1 4.28Å; G229-I231 PolarHBondContact O-N 2.88Å; I231-T233 VanDerWaalsContact C-N 3.34Å; I231-Y237 HydrophobicContact CB-CD2 3.75Å; I231-Y237 HydrophobicContact CB-CE2 4.4Å; I231-Y237 HydrophobicContact CB-CG 4.26Å; I231-Y237 HydrophobicContact CD1-CD2 3.75Å; I231-Y237 HydrophobicContact CD1-CE2 4.19Å; I231-Y237 HydrophobicContact CG1-CD2 4.19Å; I231-Y237 HydrophobicContact CG2-CD2 4.28Å; I231-I241 HydrophobicContact CD1-CD1 3.39Å
232N83.9Confident86.8Confident3 Ų329.9 Ų29.92%0.01616%0.161CC..SBendtrans-81.5-13.5-175.771-31.4000113.9K182 I185 Y230 D234K182-N232 PolarHBondContact O-ND2 3.47Å; I185-N232 WeakPolarHBondContact CD1-OD1 3.13Å; Y230-N232 HydrophobicContact CE1-CB 3.78Å; N232-D234 VanDerWaalsContact C-N 3.34Å; N232-D234 PolarHBondContact O-N 3.15Å; N232-D234 VanDerWaalsContact O-N 3.15Å
233T89.2Confident87.4Confident11 Ų1129.6 Ų29.67%0.06716%0.16CC..  trans-83.484.3173.8-54.90000107.2I231 D235 A236 Y237I231-T233 VanDerWaalsContact C-N 3.34Å; T233-D235 VanDerWaalsContact C-N 3.28Å; T233-D235 WeakPolarHBondContact CG2-OD1 3.25Å; T233-D235 PolarHBondContact O-N 3.2Å; T233-A236 HydrophobicContact CG2-CB 3.68Å; T233-A236 PolarHBondContact O-N 2.85Å; T233-Y237 WeakPolarHBondContact O-CB 3.17Å; T233-Y237 PolarHBondContact O-N 3.4Å
234D92.6Very high87.9Confident11 Ų1130.9 Ų30.96%0.05916%0.155CC..Hα-helixtrans-60.6-34.8-16770-49.1000113.1K56 L118 S122 N232 Y237 F238K56-D234 IonicContact NZ-OD1 3.4Å; K56-D234 IonicContact NZ-OD2 2.55Å; K56-D234 PolarHBondContact NZ-OD2 2.81Å; L118-D234 HydrophobicContact CB-CB 4.14Å; S122-D234 PolarHBondContact OG-OD2 3.45Å; N232-D234 VanDerWaalsContact C-N 3.34Å; N232-D234 PolarHBondContact O-N 3.15Å; N232-D234 VanDerWaalsContact O-N 3.15Å; D234-Y237 WeakPolarHBondContact O-CB 3.5Å; D234-Y237 PolarHBondContact O-N 2.56Å; D234-F238 HydrophobicContact CB-CD2 4.47Å; D234-F238 VanDerWaalsContact O-CD2 3.31Å; D234-F238 WeakPolarHBondContact O-CD2 3.49Å; D234-F238 PolarHBondContact O-N 3.31Å
235D94.8Very high88.5Confident24 Ų2429.7 Ų29.713%0.12815%0.151CC..Hα-helixtrans-68.5-51.4176.761.6-11.8000112.5F198 G201 T233 Y237 F238 T239 G240F198-D235 HydrophobicContact CD2-CB 4.37Å; F198-D235 HydrophobicContact CE2-CB 4.43Å; G201-D235 VanDerWaalsContact CA-CB 3.49Å; G201-D235 PolarHBondContact N-OD2 3.38Å; T233-D235 VanDerWaalsContact C-N 3.28Å; T233-D235 WeakPolarHBondContact CG2-OD1 3.25Å; T233-D235 PolarHBondContact O-N 3.2Å; D235-Y237 PolarHBondContact O-N 3.41Å; D235-F238 PolarHBondContact O-N 3.22Å; D235-T239 PolarHBondContact O-N 3.37Å; D235-T239 PolarHBondContact O-OG1 3.14Å; D235-G240 PolarHBondContact O-N 3.34Å
236A95.2Very high89.3Confident0 Ų028.3 Ų28.30%015%0.147CC..Iπ-helixtrans-58.6-32.517300000112Y195 F198 T233 G240 I241Y195-A236 HydrophobicContact CD1-CB 4.19Å; Y195-A236 HydrophobicContact CD2-CB 4.05Å; Y195-A236 HydrophobicContact CE1-CB 4.1Å; Y195-A236 HydrophobicContact CE2-CB 3.93Å; Y195-A236 HydrophobicContact CG-CB 4.13Å; F198-A236 HydrophobicContact CD1-CB 3.94Å; F198-A236 HydrophobicContact CD2-CB 4.39Å; F198-A236 HydrophobicContact CE1-CB 3.77Å; F198-A236 HydrophobicContact CE2-CB 4.3Å; F198-A236 HydrophobicContact CG-CB 4.26Å; F198-A236 HydrophobicContact CZ-CB 4Å; T233-A236 HydrophobicContact CG2-CB 3.68Å; T233-A236 PolarHBondContact O-N 2.85Å; A236-G240 VanDerWaalsContact O-CA 3.28Å; A236-G240 WeakPolarHBondContact O-CA 3.45Å; A236-G240 PolarHBondContact O-N 2.68Å; A236-I241 PolarHBondContact O-N 3.07Å
237Y95Very high90.5Very high0 Ų020.8 Ų20.80%013%0.131CC..Iπ-helixtrans-68.4-62.7174.7-172.2-114.4000112.2T119 H218 R221 I231 T233 D234 D235 I241 I242T119-Y237 HydrophobicContact CG2-CD1 3.71Å; T119-Y237 HydrophobicContact CG2-CE1 3.93Å; T119-Y237 HydrophobicContact CG2-CG 4.44Å; H218-Y237 PolarHBondContact CE1-OH 2.72Å; H218-Y237 VanDerWaalsContact CE1-OH 3.28Å; H218-Y237 AromaticContact ND1-CE1 3.53Å; H218-Y237 AromaticContact ND1-CZ 3.57Å; H218-Y237 PolarHBondContact ND1-OH 2.73Å; R221-Y237 VanDerWaalsContact NH1-CD2 3.34Å; I231-Y237 HydrophobicContact CB-CD2 3.75Å; I231-Y237 HydrophobicContact CB-CE2 4.4Å; I231-Y237 HydrophobicContact CB-CG 4.26Å; I231-Y237 HydrophobicContact CD1-CD2 3.75Å; I231-Y237 HydrophobicContact CD1-CE2 4.19Å; I231-Y237 HydrophobicContact CG1-CD2 4.19Å; I231-Y237 HydrophobicContact CG2-CD2 4.28Å; T233-Y237 WeakPolarHBondContact O-CB 3.17Å; T233-Y237 PolarHBondContact O-N 3.4Å; D234-Y237 WeakPolarHBondContact O-CB 3.5Å; D234-Y237 PolarHBondContact O-N 2.56Å; D235-Y237 PolarHBondContact O-N 3.41Å; Y237-I241 PolarHBondContact O-N 3.1Å; Y237-I241 VanDerWaalsContact O-N 3.1Å; Y237-I242 HydrophobicContact CD1-CG1 4.08Å; Y237-I242 HydrophobicContact CD2-CG1 4.36Å; Y237-I242 HydrophobicContact CE1-CD1 4.28Å; Y237-I242 HydrophobicContact CE1-CG1 3.81Å; Y237-I242 HydrophobicContact CE2-CD1 4.1Å; Y237-I242 HydrophobicContact CE2-CG1 4.17Å; Y237-I242 HydrophobicContact CG-CG1 4.35Å; Y237-I242 WeakPolarHBondContact O-CG1 3.34Å; Y237-I242 PolarHBondContact O-N 2.86Å
238F96.3Very high91.8Very high8 Ų817.4 Ų17.44%0.03512%0.115CC..Iπ-helixtrans-78.8-50.5-170.9-73.3-64000113.3T119 S122 L123 L126 D234 D235 G240 I242 A243T119-F238 HydrophobicContact CG2-CE2 3.77Å; T119-F238 HydrophobicContact CG2-CZ 3.94Å; S122-F238 VanDerWaalsContact CB-CE2 3.46Å; L123-F238 HydrophobicContact CD2-CE1 3.51Å; L123-F238 HydrophobicContact CD2-CE2 4.46Å; L123-F238 HydrophobicContact CD2-CZ 3.29Å; L123-F238 HydrophobicContact CG-CE1 4.26Å; L123-F238 HydrophobicContact CG-CE2 4.37Å; L123-F238 HydrophobicContact CG-CZ 3.53Å; L126-F238 HydrophobicContact CD1-CD1 3.51Å; L126-F238 HydrophobicContact CD1-CD2 4.47Å; L126-F238 HydrophobicContact CD1-CE1 3.71Å; L126-F238 HydrophobicContact CD1-CG 3.97Å; L126-F238 HydrophobicContact CD1-CZ 4.3Å; D234-F238 HydrophobicContact CB-CD2 4.47Å; D234-F238 VanDerWaalsContact O-CD2 3.31Å; D234-F238 WeakPolarHBondContact O-CD2 3.49Å; D234-F238 PolarHBondContact O-N 3.31Å; D235-F238 PolarHBondContact O-N 3.22Å; F238-G240 VanDerWaalsContact C-N 3.28Å; F238-G240 PolarHBondContact O-N 3.02Å; F238-I242 HydrophobicContact CD1-CB 4.43Å; F238-I242 HydrophobicContact CD1-CG1 4.3Å; F238-A243 VanDerWaalsContact O-CB 3.29Å; F238-A243 WeakPolarHBondContact O-CB 3.22Å; F238-A243 PolarHBondContact O-N 3.46Å
239T97.6Very high93.3Very high2 Ų221.7 Ų21.71%0.01214%0.135CC..Iπ-helixtrans-82.9-11.6-177.679.20000112.1I167 F198 C199 F204 D235 A243 R250I167-T239 HydrophobicContact CD1-CG2 4.42Å; F198-T239 WeakPolarHBondContact CB-OG1 3.23Å; C199-T239 PolarHBondContact N-OG1 2.78Å; C199-T239 PolarHBondContact O-OG1 2.88Å; F204-T239 HydrophobicContact CD2-CG2 4.18Å; F204-T239 HydrophobicContact CE1-CG2 4.31Å; F204-T239 HydrophobicContact CE2-CG2 3.85Å; F204-T239 HydrophobicContact CG-CG2 4.49Å; F204-T239 HydrophobicContact CZ-CG2 3.94Å; D235-T239 PolarHBondContact O-N 3.37Å; D235-T239 PolarHBondContact O-OG1 3.14Å; T239-A243 WeakPolarHBondContact O-CB 3.02Å; T239-R250 WeakPolarHBondContact O-CD 3.12Å; T239-R250 VanDerWaalsContact O-CG 3.24Å; T239-R250 WeakPolarHBondContact O-CG 3.22Å; T239-R250 PolarHBondContact O-NE 2.88Å
240G97.4Very high94.3Very high0 Ų023.5 Ų23.50%014%0.142CC..Iπ-helixtrans-102.6-87.5174.200000112.6P196 F198 D235 A236 F238 H244P196-G240 VanDerWaalsContact CG-C 3.47Å; F198-G240 VanDerWaalsContact CB-CA 3.44Å; D235-G240 PolarHBondContact O-N 3.34Å; A236-G240 VanDerWaalsContact O-CA 3.28Å; A236-G240 WeakPolarHBondContact O-CA 3.45Å; A236-G240 PolarHBondContact O-N 2.68Å; F238-G240 VanDerWaalsContact C-N 3.28Å; F238-G240 PolarHBondContact O-N 3.02Å; G240-H244 VanDerWaalsContact O-CB 3.22Å; G240-H244 WeakPolarHBondContact O-CB 3.39Å; G240-H244 PolarHBondContact O-N 2.91Å
241I95.8Very high95.1Very high18 Ų1825 Ų259%0.09215%0.151CC..Iπ-helixtrans-66-47.2-166.8-53.9161.2000112.1Y190 Y195 P196 I231 A236 Y237 H244 A245Y190-I241 HydrophobicContact CD2-CD1 3.55Å; Y190-I241 HydrophobicContact CD2-CG1 4.33Å; Y190-I241 HydrophobicContact CE2-CD1 3.44Å; Y190-I241 VanDerWaalsContact CE2-CD1 3.44Å; Y190-I241 HydrophobicContact CE2-CG1 3.72Å; Y190-I241 HydrophobicContact CE2-CG2 4.21Å; Y190-I241 HydrophobicContact CG-CD1 4.18Å; Y195-I241 HydrophobicContact CD1-CD1 3.92Å; Y195-I241 HydrophobicContact CD1-CG1 4.18Å; Y195-I241 HydrophobicContact CE1-CD1 4.03Å; P196-I241 HydrophobicContact CG-CB 4.46Å; P196-I241 HydrophobicContact CG-CG1 4.11Å; I231-I241 HydrophobicContact CD1-CD1 3.39Å; A236-I241 PolarHBondContact O-N 3.07Å; Y237-I241 PolarHBondContact O-N 3.1Å; Y237-I241 VanDerWaalsContact O-N 3.1Å; I241-H244 PolarHBondContact O-N 2.96Å; I241-A245 PolarHBondContact O-N 3.3Å; I241-A245 VanDerWaalsContact O-N 3.09Å
242I96.6Very high95.6Very high0 Ų029.3 Ų29.30%017%0.172CC..Iπ-helixtrans-70.6-43.9-179.7-60.7-51.6000110.7L214 A217 H218 R221 Y237 F238 H244 A245 A246L214-I242 HydrophobicContact CB-CG2 4.01Å; L214-I242 HydrophobicContact CD2-CB 4.42Å; L214-I242 HydrophobicContact CD2-CG2 3.85Å; L214-I242 WeakPolarHBondContact O-CG2 3.31Å; A217-I242 HydrophobicContact CB-CG2 3.85Å; H218-I242 HydrophobicContact CB-CD1 4.34Å; H218-I242 HydrophobicContact CB-CG2 4.29Å; R221-I242 HydrophobicContact CB-CD1 4.2Å; Y237-I242 HydrophobicContact CD1-CG1 4.08Å; Y237-I242 HydrophobicContact CD2-CG1 4.36Å; Y237-I242 HydrophobicContact CE1-CD1 4.28Å; Y237-I242 HydrophobicContact CE1-CG1 3.81Å; Y237-I242 HydrophobicContact CE2-CD1 4.1Å; Y237-I242 HydrophobicContact CE2-CG1 4.17Å; Y237-I242 HydrophobicContact CG-CG1 4.35Å; Y237-I242 WeakPolarHBondContact O-CG1 3.34Å; Y237-I242 PolarHBondContact O-N 2.86Å; F238-I242 HydrophobicContact CD1-CB 4.43Å; F238-I242 HydrophobicContact CD1-CG1 4.3Å; I242-H244 VanDerWaalsContact C-N 3.29Å; I242-H244 PolarHBondContact O-N 2.78Å; I242-A245 PolarHBondContact O-N 2.83Å; I242-A246 WeakPolarHBondContact O-CB 3.12Å; I242-A246 PolarHBondContact O-N 2.89Å
243A98.1Very high96.1Very high0 Ų029.3 Ų29.30%017%0.172CC..Hα-helixtrans-59.2-39.7174.600000112.6I167 L214 F238 T239 A246 G247 V248I167-A243 HydrophobicContact CD1-CB 4.07Å; L214-A243 HydrophobicContact CD2-CB 3.85Å; F238-A243 VanDerWaalsContact O-CB 3.29Å; F238-A243 WeakPolarHBondContact O-CB 3.22Å; F238-A243 PolarHBondContact O-N 3.46Å; T239-A243 WeakPolarHBondContact O-CB 3.02Å; A243-A246 PolarHBondContact O-N 3.18Å; A243-G247 PolarHBondContact O-N 2.84Å; A243-V248 HydrophobicContact CB-CB 4.08Å; A243-V248 HydrophobicContact CB-CG1 4.35Å; A243-V248 PolarHBondContact O-N 2.9Å
244H97.2Very high96.3Very high121 Ų12133 Ų3356%0.5620%0.196SC*.Hα-helixtrans-62-46.9174.6-179.460.9000111.8P196 G240 I241 I242 A246 G247P196-H244 HydrophobicContact CB-CB 4.03Å; P196-H244 HydrophobicContact CG-CB 4.11Å; G240-H244 VanDerWaalsContact O-CB 3.22Å; G240-H244 WeakPolarHBondContact O-CB 3.39Å; G240-H244 PolarHBondContact O-N 2.91Å; I241-H244 PolarHBondContact O-N 2.96Å; I242-H244 VanDerWaalsContact C-N 3.29Å; I242-H244 PolarHBondContact O-N 2.78Å; H244-A246 VanDerWaalsContact C-N 3.28Å; H244-A246 PolarHBondContact O-N 2.85Å; H244-G247 PolarHBondContact O-N 3.08Å
245A96.3Very high96.4Very high68 Ų6833.3 Ų33.356%0.56220%0.202SC*.Hα-helixtrans-64.1-31.8176.300000113A217 I241 I242 G247A217-A245 HydrophobicContact CB-CB 4.3Å; I241-A245 PolarHBondContact O-N 3.3Å; I241-A245 VanDerWaalsContact O-N 3.09Å; I242-A245 PolarHBondContact O-N 2.83Å; A245-G247 VanDerWaalsContact C-N 3.31Å; A245-G247 PolarHBondContact O-N 3.01Å
246A97.7Very high96.5Very high25 Ų2532.7 Ų32.721%0.20720%0.198CC..THydrogen-bonded Turntrans-81.3-3.9178.600000114.3A213 L214 A217 I242 A243 H244 V248A213-A246 HydrophobicContact CB-CB 4.23Å; L214-A246 HydrophobicContact CD2-CB 4.49Å; A217-A246 HydrophobicContact CB-CB 3.78Å; I242-A246 WeakPolarHBondContact O-CB 3.12Å; I242-A246 PolarHBondContact O-N 2.89Å; A243-A246 PolarHBondContact O-N 3.18Å; H244-A246 VanDerWaalsContact C-N 3.28Å; H244-A246 PolarHBondContact O-N 2.85Å; A246-V248 HydrophobicContact CB-CG2 3.93Å; A246-V248 PolarHBondContact O-N 3.22Å
247G97.7Very high96.5Very high58 Ų5833.9 Ų33.960%0.59820%0.204SC*.THydrogen-bonded Turntrans6723.9-173.600000113.7A243 H244 A245A243-G247 PolarHBondContact O-N 2.84Å; H244-G247 PolarHBondContact O-N 3.08Å; A245-G247 VanDerWaalsContact C-N 3.31Å; A245-G247 PolarHBondContact O-N 3.01Å
248V98.1Very high96.4Very high1 Ų136.3 Ų36.31%0.00622%0.215CC..  trans-86126.8177.1173.40000109.3K165 I167 V210 A213 A243 A246 R250K165-V248 HydrophobicContact CB-CG2 4.48Å; I167-V248 HydrophobicContact CD1-CG1 3.75Å; I167-V248 HydrophobicContact CG1-CG1 3.72Å; V210-V248 HydrophobicContact CG1-CG1 4.09Å; V210-V248 HydrophobicContact CG1-CG2 4.41Å; V210-V248 HydrophobicContact CG2-CG1 3.86Å; V210-V248 HydrophobicContact CG2-CG2 4.26Å; A213-V248 HydrophobicContact CB-CG2 4.22Å; A243-V248 HydrophobicContact CB-CB 4.08Å; A243-V248 HydrophobicContact CB-CG1 4.35Å; A243-V248 PolarHBondContact O-N 2.9Å; A246-V248 HydrophobicContact CB-CG2 3.93Å; A246-V248 PolarHBondContact O-N 3.22Å; V248-R250 WeakPolarHBondContact O-CD 3.47Å; V248-R250 PolarHBondContact O-NH1 3.2Å
249E97.5Very high96.2Very high95 Ų9536.3 Ų36.344%0.44422%0.215SC..EExtended strand (participates in β ladder)trans-84.5140.1-179.9-175-170.7125.400111.1K165 K166 I167 T251K165-E249 PolarHBondContact O-N 3.39Å; K166-E249 CarbonylContact C-O 3.55Å; K166-E249 WeakPolarHBondContact CA-O 3.23Å; K166-E249 HydrophobicContact CD-CB 4.01Å; K166-E249 HydrophobicContact CD-CG 4.43Å; K166-E249 IonicContact NZ-OE1 3.41Å; K166-E249 PolarHBondContact NZ-OE1 2.92Å; K166-E249 IonicContact NZ-OE2 3.42Å; K166-E249 PolarHBondContact NZ-OE2 2.89Å; I167-E249 PolarHBondContact N-O 3.49Å; E249-T251 PolarHBondContact OE1-OG1 3.37Å
250R97.3Very high95.8Very high39 Ų3939.8 Ų39.815%0.14724%0.238CC..EExtended strand (participates in β ladder)trans-107.3125.3175.5-677967.9-147.3-1.7108.9I167 L171 P197 T239 V248I167-R250 HydrophobicContact CB-CG 4.33Å; I167-R250 CarbonylContact O-C 3.56Å; I167-R250 WeakPolarHBondContact O-CA 3.31Å; L171-R250 HydrophobicContact CD1-CB 3.72Å; P197-R250 VanDerWaalsContact O-CZ 3.31Å; P197-R250 PolarHBondContact O-NE 3.21Å; P197-R250 PolarHBondContact O-NH2 2.8Å; T239-R250 WeakPolarHBondContact O-CD 3.12Å; T239-R250 VanDerWaalsContact O-CG 3.24Å; T239-R250 WeakPolarHBondContact O-CG 3.22Å; T239-R250 PolarHBondContact O-NE 2.88Å; V248-R250 WeakPolarHBondContact O-CD 3.47Å; V248-R250 PolarHBondContact O-NH1 3.2Å
251T96.2Very high95Very high40 Ų4049.7 Ų49.725%0.24528%0.281CS..EExtended strand (participates in β ladder)trans-117.2132.1-177.9-53.30000109.7I167 Y168 G169 E249 L253I167-T251 PolarHBondContact O-N 2.97Å; Y168-T251 WeakPolarHBondContact CA-O 3.05Å; Y168-T251 HydrophobicContact CD1-CG2 3.8Å; Y168-T251 HydrophobicContact CE1-CG2 3.83Å; G169-T251 PolarHBondContact N-O 3.43Å; E249-T251 PolarHBondContact OE1-OG1 3.37Å; T251-L253 PolarHBondContact O-N 3.21Å
252H96.7Very high94.5Very high92 Ų9260.8 Ų60.843%0.42632%0.322SS..EExtended strand (participates in β ladder)trans-64.1131176-178.481.5000110.7G169 L171 P254G169-H252 WeakPolarHBondContact O-CA 3.32Å; L171-H252 HydrophobicContact CB-CB 3.85Å; L171-H252 HydrophobicContact CD2-CB 4.24Å; H252-P254 WeakPolarHBondContact O-CD 3.49Å
253L95.4Very high94.2Very high3 Ų363.6 Ų63.62%0.01633%0.332CS..  trans-108.1106.4175.3-175.956.4000110.2L156 G169 F203 L205 T251 V256 V275L156-L253 HydrophobicContact CD1-CD1 4.06Å; L156-L253 HydrophobicContact CD1-CD2 4.15Å; L156-L253 HydrophobicContact CD2-CD1 4.03Å; G169-L253 PolarHBondContact O-N 3.14Å; F203-L253 HydrophobicContact CE1-CD2 3.9Å; L205-L253 HydrophobicContact CD2-CD2 3.9Å; T251-L253 PolarHBondContact O-N 3.21Å; L253-V256 HydrophobicContact CB-CG2 4.26Å; L253-V256 HydrophobicContact CD2-CG2 4.04Å; L253-V256 HydrophobicContact CG-CG2 4.05Å; L253-V275 HydrophobicContact CD2-CG1 4.26Å
254P93.7Very high93.7Very high89 Ų8967.5 Ų67.558%0.57836%0.356SS*.THydrogen-bonded Turntrans-59.6152.5171.5-22.533.6000111.6H252 V275H252-P254 WeakPolarHBondContact O-CD 3.49Å; P254-V275 WeakPolarHBondContact O-CG2 3.24Å
255G94.6Very high93.5Very high17 Ų1762.2 Ų62.218%0.17533%0.332CS..THydrogen-bonded Turntrans84.36.1177.600000115V275 A276G255-V275 PolarHBondContact O-N 3.32Å; G255-A276 PolarHBondContact O-N 2.89Å; G255-A276 VanDerWaalsContact O-N 3.14Å; G255-A276 VanDerWaalsContact O-O 3.07Å
256V96.2Very high93.2Very high10 Ų1059 Ų596%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-90.5107.4166.4-177.30000108.6L170 F203 L253 F258 A276L170-V256 HydrophobicContact CB-CB 4.26Å; L170-V256 HydrophobicContact CB-CG1 4.05Å; F203-V256 HydrophobicContact CB-CG1 4.11Å; F203-V256 HydrophobicContact CD1-CG1 4.34Å; F203-V256 HydrophobicContact CD1-CG2 3.68Å; F203-V256 HydrophobicContact CE1-CG2 4.19Å; L253-V256 HydrophobicContact CB-CG2 4.26Å; L253-V256 HydrophobicContact CD2-CG2 4.04Å; L253-V256 HydrophobicContact CG-CG2 4.05Å; V256-F258 HydrophobicContact CG1-CE1 3.79Å; V256-F258 HydrophobicContact CG1-CZ 4.39Å; V256-A276 CarbonylContact C-O 3.52Å; V256-A276 WeakPolarHBondContact CA-O 3.34Å
257I95.2Very high92.9Very high25 Ų2561.9 Ų61.913%0.12832%0.317CS..EExtended strand (participates in β ladder)trans-115.5123.7-166.4-58.1170000110.9L259 V266 E270 A274 A276 F277 G278I257-L259 HydrophobicContact CG2-CD2 4.14Å; I257-V266 HydrophobicContact CD1-CG1 3.96Å; I257-V266 HydrophobicContact CG2-CG1 4.49Å; I257-E270 HydrophobicContact CD1-CB 3.74Å; I257-E270 HydrophobicContact CD1-CG 3.91Å; I257-A274 HydrophobicContact CD1-CB 4.1Å; I257-A276 PolarHBondContact N-O 3.15Å; I257-F277 HydrophobicContact CB-CB 3.99Å; I257-F277 WeakPolarHBondContact O-CA 3.37Å; I257-G278 PolarHBondContact O-N 3.42Å
258F92.5Very high92.2Very high52 Ų5267 Ų6723%0.22833%0.326CS..EExtended strand (participates in β ladder)trans-98112.8172.9-60.2-13.4000109.3M146 L170 F172 S200 R202 V256M146-F258 HydrophobicContact CE-CD1 4.34Å; M146-F258 HydrophobicContact CE-CE1 4.21Å; L170-F258 HydrophobicContact CB-CZ 4.19Å; L170-F258 HydrophobicContact CD2-CD2 3.68Å; L170-F258 HydrophobicContact CD2-CE1 4.18Å; L170-F258 HydrophobicContact CD2-CE2 3.2Å; L170-F258 HydrophobicContact CD2-CG 4.35Å; L170-F258 HydrophobicContact CD2-CZ 3.45Å; L170-F258 VanDerWaalsContact CD2-CZ 3.45Å; L170-F258 HydrophobicContact CG-CE2 4.48Å; L170-F258 HydrophobicContact CG-CZ 4.45Å; F172-F258 HydrophobicContact CZ-CE2 4.46Å; S200-F258 WeakPolarHBondContact OG-CE2 3.43Å; S200-F258 VanDerWaalsContact OG-CZ 3.23Å; S200-F258 WeakPolarHBondContact OG-CZ 3.24Å; R202-F258 HydrophobicContact CB-CE1 3.63Å; R202-F258 HydrophobicContact CB-CZ 3.7Å; R202-F258 VanDerWaalsContact CD-CE1 3.43Å; R202-F258 HydrophobicContact CG-CE1 4.11Å; R202-F258 HydrophobicContact CG-CZ 4.03Å; V256-F258 HydrophobicContact CG1-CE1 3.79Å; V256-F258 HydrophobicContact CG1-CZ 4.39Å
259L91.8Very high91.7Very high7 Ų771.7 Ų71.74%0.03736%0.358CS..  trans-69.7133.1-177.8-58.7177.6000109.6I257 R263 V266 F277 G278 E279I257-L259 HydrophobicContact CG2-CD2 4.14Å; L259-R263 HydrophobicContact CB-CB 4.47Å; L259-R263 WeakPolarHBondContact CB-O 3.24Å; L259-R263 HydrophobicContact CD2-CG 4.15Å; L259-V266 HydrophobicContact CD2-CG1 4.24Å; L259-F277 HydrophobicContact CD1-CD2 3.96Å; L259-F277 HydrophobicContact CG-CD2 4.49Å; L259-G278 VanDerWaalsContact CB-O 3.24Å; L259-G278 WeakPolarHBondContact CB-O 3.34Å; L259-G278 WeakPolarHBondContact CD1-O 2.96Å; L259-G278 WeakPolarHBondContact CG-O 3.41Å; L259-E279 WeakPolarHBondContact O-CG 3.35Å
260P89.4Confident91.5Very high76 Ų7669.3 Ų69.349%0.49435%0.347SS..  trans-63153.417026.9-33.7000109.8R262 R263P260-R262 PolarHBondContact O-N 3.01Å; P260-R263 HydrophobicContact CG-CB 3.77Å; P260-R263 PolarHBondContact O-N 3.05Å
261K81.6Confident91.2Very high208 Ų20867.5 Ų67.590%0.90434%0.341SS*.THydrogen-bonded Turntrans-49-25.3-174.4-69.6-175.2176.8-177.10116.4
262R84.8Confident90.9Very high251 Ų25167.4 Ų67.495%0.94734%0.341SS*.THydrogen-bonded Turntrans-91-3.7-178.5-66.8-174.3176.7179.8-1.2113.7P260P260-R262 PolarHBondContact O-N 3.01Å
263R89.8Confident90.7Very high58 Ų5867 Ų6722%0.21935%0.345CS..  trans-118.3126.5-171.2-175.1173.2159.6-157.5-0.9109L259 P260 F265 V266 N267 E270L259-R263 HydrophobicContact CB-CB 4.47Å; L259-R263 WeakPolarHBondContact CB-O 3.24Å; L259-R263 HydrophobicContact CD2-CG 4.15Å; P260-R263 HydrophobicContact CG-CB 3.77Å; P260-R263 PolarHBondContact O-N 3.05Å; R263-F265 VanDerWaalsContact CG-O 3.24Å; R263-F265 WeakPolarHBondContact CG-O 3.18Å; R263-F265 PolarHBondContact NE-O 3.22Å; R263-F265 PolarHBondContact NH2-O 3.48Å; R263-V266 VanDerWaalsContact NH2-C 3.27Å; R263-N267 PolarHBondContact NE-OD1 3.45Å; R263-N267 PolarHBondContact NH2-OD1 3.35Å; R263-E270 IonicContact CZ-OE1 3.28Å; R263-E270 IonicContact CZ-OE2 3.71Å; R263-E270 IonicContact NH1-OE1 3.85Å; R263-E270 PolarHBondContact NH1-OE1 3.22Å; R263-E270 IonicContact NH1-OE2 3.75Å; R263-E270 VanDerWaalsContact NH2-CD 3.31Å; R263-E270 IonicContact NH2-OE1 2.79Å; R263-E270 PolarHBondContact NH2-OE1 2.99Å; R263-E270 IonicContact NH2-OE2 2.82Å; R263-E270 PolarHBondContact NH2-OE2 3.26Å
264T87.5Confident90.7Very high82 Ų8266.8 Ų66.850%0.50334%0.344SS..  trans-105.7-4.3-176.953.90000112.8L285T264-L285 HydrophobicContact CG2-CD2 4.14Å
265F92.8Very high90.8Very high10 Ų1062.9 Ų62.94%0.04432%0.318CS..SBendtrans-153.1156.9-175.4-164-108000113.1R263 V271 F277 A289 R292 F293R263-F265 VanDerWaalsContact CG-O 3.24Å; R263-F265 WeakPolarHBondContact CG-O 3.18Å; R263-F265 PolarHBondContact NE-O 3.22Å; R263-F265 PolarHBondContact NH2-O 3.48Å; F265-V271 HydrophobicContact CE1-CG2 4.01Å; F265-V271 HydrophobicContact CZ-CG2 4.36Å; F265-F277 HydrophobicContact CD2-CE2 4.18Å; F265-F277 HydrophobicContact CD2-CZ 4.18Å; F265-F277 HydrophobicContact CE2-CE2 4.3Å; F265-F277 AromaticContact CE2-CZ 3.83Å; F265-F277 HydrophobicContact CE2-CZ 3.83Å; F265-A289 HydrophobicContact CD2-CB 4.13Å; F265-A289 HydrophobicContact CE2-CB 4.49Å; F265-A289 VanDerWaalsContact CE2-O 3.23Å; F265-A289 WeakPolarHBondContact CE2-O 3.33Å; F265-R292 HydrophobicContact CD1-CG 3.95Å; F265-R292 HydrophobicContact CD2-CB 4.23Å; F265-R292 HydrophobicContact CD2-CG 4.32Å; F265-R292 HydrophobicContact CE1-CB 4.37Å; F265-R292 HydrophobicContact CE1-CG 3.61Å; F265-R292 HydrophobicContact CE2-CB 3.84Å; F265-R292 HydrophobicContact CE2-CG 4Å; F265-R292 HydrophobicContact CG-CG 4.31Å; F265-R292 HydrophobicContact CZ-CB 3.92Å; F265-R292 HydrophobicContact CZ-CG 3.65Å; F265-F293 HydrophobicContact CE2-CB 3.88Å; F265-F293 HydrophobicContact CZ-CB 3.98Å; F265-F293 HydrophobicContact CZ-CD2 4.26Å
266V91.7Very high90.9Very high2 Ų262 Ų621%0.01231%0.31CS..  trans-68.7152.2174.5-73.60000112.1I257 L259 R263 E270 V271 A274 F277 F293I257-V266 HydrophobicContact CD1-CG1 3.96Å; I257-V266 HydrophobicContact CG2-CG1 4.49Å; L259-V266 HydrophobicContact CD2-CG1 4.24Å; R263-V266 VanDerWaalsContact NH2-C 3.27Å; V266-E270 HydrophobicContact CB-CB 4.09Å; V266-E270 HydrophobicContact CG1-CB 4.48Å; V266-V271 HydrophobicContact CG2-CB 4.47Å; V266-V271 HydrophobicContact CG2-CG2 3.69Å; V266-A274 HydrophobicContact CG1-CB 4.49Å; V266-F277 HydrophobicContact CG1-CB 3.63Å; V266-F277 HydrophobicContact CG1-CD1 3.7Å; V266-F277 HydrophobicContact CG1-CD2 3.96Å; V266-F277 HydrophobicContact CG1-CE1 4.31Å; V266-F277 HydrophobicContact CG1-CG 3.48Å; V266-F277 VanDerWaalsContact CG1-CG 3.48Å; V266-F277 HydrophobicContact CG2-CD1 4.25Å; V266-F277 HydrophobicContact CG2-CE1 4.05Å; V266-F277 HydrophobicContact CG2-CZ 4.27Å; V266-F293 HydrophobicContact CG2-CD2 4.22Å
267N89.7Confident90.9Very high84 Ų8461.6 Ų61.645%0.44931%0.307SS..  trans-81.9163.2177.3-56.93.9000108.3R263 S269 E270 V271R263-N267 PolarHBondContact NE-OD1 3.45Å; R263-N267 PolarHBondContact NH2-OD1 3.35Å; N267-S269 VanDerWaalsContact C-N 3.25Å; N267-S269 PolarHBondContact O-N 2.47Å; N267-E270 WeakPolarHBondContact CB-OE2 3.43Å; N267-E270 VanDerWaalsContact CG-OE2 3.31Å; N267-E270 PolarHBondContact N-OE2 3.2Å; N267-E270 WeakPolarHBondContact O-CA 3.35Å; N267-E270 PolarHBondContact O-N 3.13Å; N267-V271 WeakPolarHBondContact O-CG2 3.46Å; N267-V271 PolarHBondContact O-N 2.92Å
268E84.7Confident90.9Very high167 Ų16760.4 Ų60.478%0.7830%0.301SS*.Hα-helixtrans-53.8-41.2-176.2-67.6175.3-177.600113E270 V271E268-E270 VanDerWaalsContact C-N 3.28Å; E268-E270 PolarHBondContact O-N 2.79Å; E268-V271 PolarHBondContact O-N 3.41Å
269S87Confident90.9Very high98 Ų9860 Ų6069%0.68530%0.3SS*.Hα-helixtrans-67.6-23.517757.70000114.4N267N267-S269 VanDerWaalsContact C-N 3.25Å; N267-S269 PolarHBondContact O-N 2.47Å
270E92.7Very high91.1Very high45 Ų4559.7 Ų59.721%0.2130%0.298CS..Hα-helixtrans-91.9-25.6179.1-72.2155.212600112.2I257 R263 V266 N267 E268 C272 T273 A274I257-E270 HydrophobicContact CD1-CB 3.74Å; I257-E270 HydrophobicContact CD1-CG 3.91Å; R263-E270 IonicContact CZ-OE1 3.28Å; R263-E270 IonicContact CZ-OE2 3.71Å; R263-E270 IonicContact NH1-OE1 3.85Å; R263-E270 PolarHBondContact NH1-OE1 3.22Å; R263-E270 IonicContact NH1-OE2 3.75Å; R263-E270 VanDerWaalsContact NH2-CD 3.31Å; R263-E270 IonicContact NH2-OE1 2.79Å; R263-E270 PolarHBondContact NH2-OE1 2.99Å; R263-E270 IonicContact NH2-OE2 2.82Å; R263-E270 PolarHBondContact NH2-OE2 3.26Å; V266-E270 HydrophobicContact CB-CB 4.09Å; V266-E270 HydrophobicContact CG1-CB 4.48Å; N267-E270 WeakPolarHBondContact CB-OE2 3.43Å; N267-E270 VanDerWaalsContact CG-OE2 3.31Å; N267-E270 PolarHBondContact N-OE2 3.2Å; N267-E270 WeakPolarHBondContact O-CA 3.35Å; N267-E270 PolarHBondContact O-N 3.13Å; E268-E270 VanDerWaalsContact C-N 3.28Å; E268-E270 PolarHBondContact O-N 2.79Å; E270-C272 VanDerWaalsContact C-N 3.25Å; E270-C272 PolarHBondContact O-N 3.19Å; E270-T273 PolarHBondContact O-N 2.95Å; E270-T273 VanDerWaalsContact O-N 3.08Å; E270-T273 PolarHBondContact O-OG1 3.33Å; E270-A274 VanDerWaalsContact O-CB 3.25Å; E270-A274 WeakPolarHBondContact O-CB 3.07Å; E270-A274 PolarHBondContact O-N 2.75Å
271V92.1Very high91.2Very high2 Ų262 Ų621%0.01230%0.301CS..Hα-helixtrans-50.8-48.8-178.5170.40000111F265 V266 N267 E268 T273 F293 A296 Y297F265-V271 HydrophobicContact CE1-CG2 4.01Å; F265-V271 HydrophobicContact CZ-CG2 4.36Å; V266-V271 HydrophobicContact CG2-CB 4.47Å; V266-V271 HydrophobicContact CG2-CG2 3.69Å; N267-V271 WeakPolarHBondContact O-CG2 3.46Å; N267-V271 PolarHBondContact O-N 2.92Å; E268-V271 PolarHBondContact O-N 3.41Å; V271-T273 VanDerWaalsContact C-N 3.29Å; V271-T273 PolarHBondContact O-N 3.09Å; V271-F293 HydrophobicContact CG1-CD2 4.25Å; V271-F293 HydrophobicContact CG1-CE2 4.08Å; V271-A296 HydrophobicContact CB-CB 4.41Å; V271-A296 HydrophobicContact CG1-CB 3.7Å; V271-A296 HydrophobicContact CG2-CB 3.97Å; V271-Y297 HydrophobicContact CG1-CD2 4.5Å
272C89.6Confident91.9Very high38 Ų3854.5 Ų54.526%0.25727%0.272SS..THydrogen-bonded Turntrans-67.8-33.4-173.7-38.30000111.2R152 E270 C300R152-C272 PolarHBondContact NE-O 3.43Å; R152-C272 PolarHBondContact NH2-O 2.97Å; E270-C272 VanDerWaalsContact C-N 3.25Å; E270-C272 PolarHBondContact O-N 3.19Å; C272-C300 VanDerWaalsContact CA-SG 3.5Å; C272-C300 HydrophobicContact CB-CB 3.56Å; C272-C300 WeakPolarHBondContact CB-SG 3.13Å; C272-C300 PolarHBondContact N-SG 3.26Å; C272-C300 VanDerWaalsContact N-SG 3.41Å; C272-C300 WeakPolarHBondContact SG-CB 3.31Å; C272-C300 CovalentContact SG-SG 2.04Å; C272-C300 PolarHBondContact SG-SG 3.47Å
273T92.1Very high92.5Very high82 Ų8243.5 Ų43.550%0.50323%0.233SC..THydrogen-bonded Turntrans-98.8-11.2-173.857.60000114E270 V271 V275E270-T273 PolarHBondContact O-N 2.95Å; E270-T273 VanDerWaalsContact O-N 3.08Å; E270-T273 PolarHBondContact O-OG1 3.33Å; V271-T273 VanDerWaalsContact C-N 3.29Å; V271-T273 PolarHBondContact O-N 3.09Å; T273-V275 PolarHBondContact O-N 3.49Å
274A95.1Very high92.8Very high0 Ų045.7 Ų45.70%025%0.246CC..  trans-64.1119.1-179.400000111.4S149 I257 V266 E270 F277 F293S149-A274 VanDerWaalsContact CB-O 3.27Å; S149-A274 WeakPolarHBondContact CB-O 3.15Å; I257-A274 HydrophobicContact CD1-CB 4.1Å; V266-A274 HydrophobicContact CG1-CB 4.49Å; E270-A274 VanDerWaalsContact O-CB 3.25Å; E270-A274 WeakPolarHBondContact O-CB 3.07Å; E270-A274 PolarHBondContact O-N 2.75Å; A274-F277 HydrophobicContact CB-CD1 4.29Å; A274-F293 HydrophobicContact CB-CE2 4.26Å
275V95.7Very high93.2Very high6 Ų644.1 Ų44.14%0.03623%0.234CC..SBendtrans-84.2-47.4168.9175.80000109.2V148 S149 L156 F203 L253 P254 G255 T273V148-V275 WeakPolarHBondContact CA-O 3.34Å; V148-V275 WeakPolarHBondContact CG1-O 3.39Å; S149-V275 PolarHBondContact N-O 2.96Å; L156-V275 HydrophobicContact CD1-CB 4.25Å; L156-V275 HydrophobicContact CD1-CG1 3.45Å; L156-V275 VanDerWaalsContact CD1-CG1 3.45Å; L156-V275 HydrophobicContact CD1-CG2 3.73Å; F203-V275 HydrophobicContact CE1-CG1 3.87Å; F203-V275 HydrophobicContact CZ-CG1 4.05Å; L253-V275 HydrophobicContact CD2-CG1 4.26Å; P254-V275 WeakPolarHBondContact O-CG2 3.24Å; G255-V275 PolarHBondContact O-N 3.32Å; T273-V275 PolarHBondContact O-N 3.49Å
276A97.1Very high93.5Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-148.9144.7175.900000109.8M146 L147 V148 F203 G255 V256 I257M146-A276 HydrophobicContact CE-CB 4.03Å; L147-A276 CarbonylContact O-C 3.56Å; L147-A276 VanDerWaalsContact O-CA 3.23Å; L147-A276 WeakPolarHBondContact O-CA 3.46Å; V148-A276 HydrophobicContact CG2-CB 4.15Å; F203-A276 HydrophobicContact CB-CB 4.17Å; F203-A276 HydrophobicContact CD1-CB 4.02Å; F203-A276 HydrophobicContact CD2-CB 3.8Å; F203-A276 HydrophobicContact CE1-CB 4.38Å; F203-A276 HydrophobicContact CE2-CB 4.18Å; F203-A276 HydrophobicContact CG-CB 3.71Å; F203-A276 HydrophobicContact CZ-CB 4.46Å; G255-A276 PolarHBondContact O-N 2.89Å; G255-A276 VanDerWaalsContact O-N 3.14Å; G255-A276 VanDerWaalsContact O-O 3.07Å; V256-A276 CarbonylContact C-O 3.52Å; V256-A276 WeakPolarHBondContact CA-O 3.34Å; I257-A276 PolarHBondContact N-O 3.15Å
277F97Very high93.8Very high1 Ų146.6 Ų46.60%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-144.5155.8170.267.3-89.7000110.7M146 L147 I257 L259 F265 V266 A274 L280 A289 F293M146-F277 VanDerWaalsContact CE-C 3.42Å; L147-F277 HydrophobicContact CB-CE1 4.35Å; L147-F277 HydrophobicContact CB-CE2 4.35Å; L147-F277 HydrophobicContact CB-CZ 4.16Å; L147-F277 HydrophobicContact CD1-CE1 4.25Å; L147-F277 HydrophobicContact CD1-CE2 4.28Å; L147-F277 HydrophobicContact CD1-CZ 3.67Å; L147-F277 HydrophobicContact CD2-CD1 4.28Å; L147-F277 HydrophobicContact CD2-CE1 3.53Å; L147-F277 HydrophobicContact CD2-CZ 3.86Å; L147-F277 HydrophobicContact CG-CE1 4.25Å; L147-F277 HydrophobicContact CG-CZ 4.11Å; L147-F277 PolarHBondContact N-O 3.23Å; L147-F277 PolarHBondContact O-N 3.39Å; I257-F277 HydrophobicContact CB-CB 3.99Å; I257-F277 WeakPolarHBondContact O-CA 3.37Å; L259-F277 HydrophobicContact CD1-CD2 3.96Å; L259-F277 HydrophobicContact CG-CD2 4.49Å; F265-F277 HydrophobicContact CD2-CE2 4.18Å; F265-F277 HydrophobicContact CD2-CZ 4.18Å; F265-F277 HydrophobicContact CE2-CE2 4.3Å; F265-F277 AromaticContact CE2-CZ 3.83Å; F265-F277 HydrophobicContact CE2-CZ 3.83Å; V266-F277 HydrophobicContact CG1-CB 3.63Å; V266-F277 HydrophobicContact CG1-CD1 3.7Å; V266-F277 HydrophobicContact CG1-CD2 3.96Å; V266-F277 HydrophobicContact CG1-CE1 4.31Å; V266-F277 HydrophobicContact CG1-CG 3.48Å; V266-F277 VanDerWaalsContact CG1-CG 3.48Å; V266-F277 HydrophobicContact CG2-CD1 4.25Å; V266-F277 HydrophobicContact CG2-CE1 4.05Å; V266-F277 HydrophobicContact CG2-CZ 4.27Å; A274-F277 HydrophobicContact CB-CD1 4.29Å; F277-L280 HydrophobicContact CE2-CD1 4.1Å; F277-A289 HydrophobicContact CE2-CB 4.18Å; F277-A289 HydrophobicContact CZ-CB 4.45Å; F277-F293 HydrophobicContact CE1-CB 4.49Å; F277-F293 AromaticContact CE1-CD2 3.5Å; F277-F293 HydrophobicContact CE1-CD2 3.5Å; F277-F293 AromaticContact CE1-CE2 3.87Å; F277-F293 HydrophobicContact CE1-CE2 3.87Å; F277-F293 HydrophobicContact CE1-CG 4.04Å; F277-F293 HydrophobicContact CZ-CB 4.33Å; F277-F293 HydrophobicContact CZ-CD2 4.07Å; F277-F293 HydrophobicContact CZ-CG 4.37Å
278G94.7Very high94.1Very high0 Ų048.6 Ų48.60%025%0.25CC..EExtended strand (participates in β ladder)trans-164.3-152.8-175.900000115.9D145 M146 I257 L259D145-G278 CarbonylContact O-C 3.44Å; D145-G278 WeakPolarHBondContact O-CA 3.11Å; M146-G278 WeakPolarHBondContact SD-CA 3.43Å; I257-G278 PolarHBondContact O-N 3.42Å; L259-G278 VanDerWaalsContact CB-O 3.24Å; L259-G278 WeakPolarHBondContact CB-O 3.34Å; L259-G278 WeakPolarHBondContact CD1-O 2.96Å; L259-G278 WeakPolarHBondContact CG-O 3.41Å
279E93.3Very high94.6Very high43 Ų4340.8 Ų40.820%0.20121%0.214CC..  trans7826.1-151.1-54.3-83.215300113D145 R202 L259 K281D145-E279 PolarHBondContact O-N 3.18Å; R202-E279 IonicContact CZ-OE1 3.54Å; R202-E279 IonicContact NE-OE1 2.67Å; R202-E279 PolarHBondContact NE-OE1 2.8Å; R202-E279 IonicContact NH2-OE1 3.26Å; R202-E279 PolarHBondContact NH2-OE1 2.55Å; L259-E279 WeakPolarHBondContact O-CG 3.35Å; E279-K281 VanDerWaalsContact C-N 3.32Å; E279-K281 PolarHBondContact O-N 2.82Å; E279-K281 VanDerWaalsContact O-N 3.13Å; E279-K281 WeakPolarHBondContact OE2-CE 3.25Å; E279-K281 IonicContact OE2-NZ 2.81Å; E279-K281 PolarHBondContact OE2-NZ 3.26Å
280L94.5Very high95.1Very high1 Ų137 Ų371%0.00519%0.185CC..  trans-86.568.4176.6-57.9174.9000110.8D145 L147 F277 T282 L285 M286 A289D145-L280 PolarHBondContact O-N 3.4Å; L147-L280 HydrophobicContact CB-CD1 3.58Å; L147-L280 HydrophobicContact CD1-CD1 4.1Å; F277-L280 HydrophobicContact CE2-CD1 4.1Å; L280-T282 VanDerWaalsContact C-N 3.27Å; L280-T282 PolarHBondContact O-N 3.03Å; L280-L285 HydrophobicContact CD2-CB 4.45Å; L280-M286 HydrophobicContact CB-CE 4.01Å; L280-M286 HydrophobicContact CD1-CE 4.24Å; L280-M286 HydrophobicContact CD1-SD 3.94Å; L280-A289 HydrophobicContact CD1-CB 3.67Å; L280-A289 HydrophobicContact CD2-CB 3.63Å; L280-A289 HydrophobicContact CG-CB 4.3Å
281K92Very high95.2Very high125 Ų12539.3 Ų39.354%0.54320%0.199SC..  trans-74.9-6.2-164.7-66.5177.8-177.2163.40116.1D145 E279D145-K281 HydrophobicContact CB-CG 4.29Å; E279-K281 VanDerWaalsContact C-N 3.32Å; E279-K281 PolarHBondContact O-N 2.82Å; E279-K281 VanDerWaalsContact O-N 3.13Å; E279-K281 WeakPolarHBondContact OE2-CE 3.25Å; E279-K281 IonicContact OE2-NZ 2.81Å; E279-K281 PolarHBondContact OE2-NZ 3.26Å
282T95.7Very high95.3Very high50 Ų5045.6 Ų45.631%0.30722%0.222SC..SBendtrans-126153-179.885.50000111L280 E284 L285 M286L280-T282 VanDerWaalsContact C-N 3.27Å; L280-T282 PolarHBondContact O-N 3.03Å; T282-E284 VanDerWaalsContact CB-OE2 3.25Å; T282-E284 WeakPolarHBondContact CB-OE2 3.14Å; T282-E284 PolarHBondContact O-N 2.88Å; T282-E284 PolarHBondContact OG1-N 3.46Å; T282-E284 PolarHBondContact OG1-OE2 3.47Å; T282-L285 HydrophobicContact CG2-CD1 4.29Å; T282-L285 PolarHBondContact O-N 3.03Å; T282-L285 PolarHBondContact OG1-N 3.47Å; T282-M286 PolarHBondContact O-N 3.29Å
283P97.7Very high95.6Very high20 Ų2044 Ų4413%0.1321%0.211CC..Hα-helixtrans-53.5-37.9174.6-25.535000112.9E63 L64 A67 R287E63-P283 HydrophobicContact CB-CB 4.45Å; E63-P283 HydrophobicContact CB-CG 3.76Å; L64-P283 HydrophobicContact CB-CG 4.32Å; A67-P283 HydrophobicContact CB-CB 3.84Å; P283-R287 VanDerWaalsContact CB-NH1 3.3Å; P283-R287 WeakPolarHBondContact O-CG 3.09Å; P283-R287 PolarHBondContact O-N 3.01Å; P283-R287 VanDerWaalsContact O-N 3.09Å
284E97.3Very high95.6Very high103 Ų10346.7 Ų46.748%0.48121%0.212SC..Hα-helixtrans-67.9-47179.9-57.267.2-140.500111T282 M286 R287 Q288T282-E284 VanDerWaalsContact CB-OE2 3.25Å; T282-E284 WeakPolarHBondContact CB-OE2 3.14Å; T282-E284 PolarHBondContact O-N 2.88Å; T282-E284 PolarHBondContact OG1-N 3.46Å; T282-E284 PolarHBondContact OG1-OE2 3.47Å; E284-M286 VanDerWaalsContact C-N 3.33Å; E284-M286 PolarHBondContact O-N 2.96Å; E284-R287 PolarHBondContact O-N 3.39Å; E284-Q288 WeakPolarHBondContact O-CB 3.42Å; E284-Q288 VanDerWaalsContact O-CG 3.23Å; E284-Q288 WeakPolarHBondContact O-CG 3.47Å; E284-Q288 PolarHBondContact O-N 3.3Å
285L95.8Very high95.5Very high49 Ų4953.3 Ų53.326%0.25724%0.242SC..Hα-helixtrans-62.5-40.9177.4-72.9176.9000111.5T264 L280 T282 Q288 A289T264-L285 HydrophobicContact CG2-CD2 4.14Å; L280-L285 HydrophobicContact CD2-CB 4.45Å; T282-L285 HydrophobicContact CG2-CD1 4.29Å; T282-L285 PolarHBondContact O-N 3.03Å; T282-L285 PolarHBondContact OG1-N 3.47Å; L285-Q288 PolarHBondContact O-N 2.86Å; L285-A289 WeakPolarHBondContact O-CB 3.23Å; L285-A289 PolarHBondContact O-N 3.31Å
286M97.6Very high95.3Very high0 Ų054.4 Ų54.40%025%0.253CS..Hα-helixtrans-58.5-50175.6-176.762.171.100111.4L64 A67 I68 T71 S144 L147 L280 T282 E284 W290L64-M286 HydrophobicContact CD1-CB 4.44Å; A67-M286 HydrophobicContact CB-CB 4.4Å; A67-M286 HydrophobicContact CB-CG 4.42Å; I68-M286 HydrophobicContact CG1-CE 4.07Å; I68-M286 HydrophobicContact CG1-CG 4.4Å; T71-M286 HydrophobicContact CG2-CG 4.46Å; S144-M286 VanDerWaalsContact O-CE 3.29Å; S144-M286 WeakPolarHBondContact O-CE 3.47Å; L147-M286 HydrophobicContact CB-SD 4.21Å; L280-M286 HydrophobicContact CB-CE 4.01Å; L280-M286 HydrophobicContact CD1-CE 4.24Å; L280-M286 HydrophobicContact CD1-SD 3.94Å; T282-M286 PolarHBondContact O-N 3.29Å; E284-M286 VanDerWaalsContact C-N 3.33Å; E284-M286 PolarHBondContact O-N 2.96Å; M286-W290 WeakPolarHBondContact O-CB 3.34Å; M286-W290 PolarHBondContact O-N 2.69Å
287R97.8Very high94.9Very high65 Ų6555.4 Ų55.425%0.24526%0.256CS..Hα-helixtrans-64.4-44.1178.5-69.4-178.9-172.2104.2-4.6112.5A67 E70 T71 P283 E284 W290 N291A67-R287 HydrophobicContact CB-CG 4.2Å; E70-R287 IonicContact OE1-NH2 3.2Å; E70-R287 IonicContact OE2-CZ 2.73Å; E70-R287 VanDerWaalsContact OE2-CZ 3.27Å; E70-R287 IonicContact OE2-NE 3.66Å; E70-R287 PolarHBondContact OE2-NE 3.08Å; E70-R287 IonicContact OE2-NH2 2.81Å; E70-R287 PolarHBondContact OE2-NH2 3.16Å; T71-R287 HydrophobicContact CG2-CB 4.33Å; T71-R287 HydrophobicContact CG2-CG 3.83Å; P283-R287 VanDerWaalsContact CB-NH1 3.3Å; P283-R287 WeakPolarHBondContact O-CG 3.09Å; P283-R287 PolarHBondContact O-N 3.01Å; P283-R287 VanDerWaalsContact O-N 3.09Å; E284-R287 PolarHBondContact O-N 3.39Å; R287-W290 PolarHBondContact O-N 2.67Å; R287-N291 VanDerWaalsContact O-CG 3.32Å; R287-N291 PolarHBondContact O-N 3.25Å; R287-N291 PolarHBondContact O-ND2 2.84Å
288Q96.2Very high94.4Very high125 Ų12559.3 Ų59.358%0.58428%0.276SS*.Hα-helixtrans-62.7-47.7178.4-73.6174.71800111.8E284 L285 W290 N291 R292E284-Q288 WeakPolarHBondContact O-CB 3.42Å; E284-Q288 VanDerWaalsContact O-CG 3.23Å; E284-Q288 WeakPolarHBondContact O-CG 3.47Å; E284-Q288 PolarHBondContact O-N 3.3Å; L285-Q288 PolarHBondContact O-N 2.86Å; Q288-W290 VanDerWaalsContact C-N 3.33Å; Q288-W290 PolarHBondContact O-N 2.83Å; Q288-N291 PolarHBondContact O-N 3.43Å; Q288-R292 PolarHBondContact O-N 2.83Å; Q288-R292 VanDerWaalsContact O-N 3.1Å
289A96.1Very high93.9Very high4 Ų464.1 Ų64.13%0.03331%0.306CS..Hα-helixtrans-61.6-42.4177.300000111.2L147 F265 F277 L280 L285 R292 F293L147-A289 HydrophobicContact CD1-CB 4.07Å; F265-A289 HydrophobicContact CD2-CB 4.13Å; F265-A289 HydrophobicContact CE2-CB 4.49Å; F265-A289 VanDerWaalsContact CE2-O 3.23Å; F265-A289 WeakPolarHBondContact CE2-O 3.33Å; F277-A289 HydrophobicContact CE2-CB 4.18Å; F277-A289 HydrophobicContact CZ-CB 4.45Å; L280-A289 HydrophobicContact CD1-CB 3.67Å; L280-A289 HydrophobicContact CD2-CB 3.63Å; L280-A289 HydrophobicContact CG-CB 4.3Å; L285-A289 WeakPolarHBondContact O-CB 3.23Å; L285-A289 PolarHBondContact O-N 3.31Å; A289-R292 PolarHBondContact O-N 2.85Å; A289-F293 VanDerWaalsContact O-CB 3.26Å; A289-F293 WeakPolarHBondContact O-CB 3.32Å; A289-F293 PolarHBondContact O-N 2.95Å
290W96.6Very high93.3Very high18 Ų1863.3 Ų63.37%0.06831%0.305CS..Hα-helixtrans-62-47.3176.8175.6-117.6000113.4T71 W72 Q75 L147 P150 M286 R287 Q288 R292 F293 R294T71-W290 HydrophobicContact CG2-CB 3.77Å; T71-W290 HydrophobicContact CG2-CG 3.9Å; W72-W290 HydrophobicContact CB-CD2 4.16Å; W72-W290 HydrophobicContact CB-CE3 3.59Å; W72-W290 HydrophobicContact CB-CH2 4.21Å; W72-W290 HydrophobicContact CB-CZ3 3.62Å; Q75-W290 HydrophobicContact CG-CH2 3.9Å; Q75-W290 HydrophobicContact CG-CZ2 3.54Å; L147-W290 HydrophobicContact CD1-CB 4.02Å; L147-W290 HydrophobicContact CD1-CE3 4.2Å; L147-W290 HydrophobicContact CD2-CE3 4.27Å; L147-W290 HydrophobicContact CG-CE3 4.38Å; P150-W290 HydrophobicContact CG-CH2 4.13Å; P150-W290 HydrophobicContact CG-CZ3 4.41Å; M286-W290 WeakPolarHBondContact O-CB 3.34Å; M286-W290 PolarHBondContact O-N 2.69Å; R287-W290 PolarHBondContact O-N 2.67Å; Q288-W290 VanDerWaalsContact C-N 3.33Å; Q288-W290 PolarHBondContact O-N 2.83Å; W290-R292 VanDerWaalsContact C-N 3.29Å; W290-R292 PolarHBondContact O-N 3.17Å; W290-F293 HydrophobicContact CE3-CD1 4.28Å; W290-F293 AromaticContact CZ3-CD1 3.97Å; W290-F293 HydrophobicContact CZ3-CD1 3.97Å; W290-F293 PolarHBondContact O-N 3.3Å; W290-R294 HydrophobicContact CZ2-CB 4.45Å; W290-R294 WeakPolarHBondContact O-CB 3.08Å; W290-R294 PolarHBondContact O-N 2.95Å
291N95.6Very high92.4Very high94 Ų9466.2 Ų66.250%0.50332%0.323SS..Hα-helixtrans-59-44.1178.8-73.1-19.7000111.4R287 Q288 Q295R287-N291 VanDerWaalsContact O-CG 3.32Å; R287-N291 PolarHBondContact O-N 3.25Å; R287-N291 PolarHBondContact O-ND2 2.84Å; Q288-N291 PolarHBondContact O-N 3.43Å; N291-Q295 WeakPolarHBondContact O-CG 3.39Å; N291-Q295 PolarHBondContact O-N 3.17Å
292R94.7Very high91.4Very high133 Ų13366.6 Ų66.650%0.50233%0.331SS..Hα-helixtrans-66.9-42176.8-170.6175.1174-174-1.6112.2F265 Q288 A289 W290 Q295 A296F265-R292 HydrophobicContact CD1-CG 3.95Å; F265-R292 HydrophobicContact CD2-CB 4.23Å; F265-R292 HydrophobicContact CD2-CG 4.32Å; F265-R292 HydrophobicContact CE1-CB 4.37Å; F265-R292 HydrophobicContact CE1-CG 3.61Å; F265-R292 HydrophobicContact CE2-CB 3.84Å; F265-R292 HydrophobicContact CE2-CG 4Å; F265-R292 HydrophobicContact CG-CG 4.31Å; F265-R292 HydrophobicContact CZ-CB 3.92Å; F265-R292 HydrophobicContact CZ-CG 3.65Å; Q288-R292 PolarHBondContact O-N 2.83Å; Q288-R292 VanDerWaalsContact O-N 3.1Å; A289-R292 PolarHBondContact O-N 2.85Å; W290-R292 VanDerWaalsContact C-N 3.29Å; W290-R292 PolarHBondContact O-N 3.17Å; R292-Q295 PolarHBondContact O-N 3.12Å; R292-A296 WeakPolarHBondContact O-CB 3.19Å; R292-A296 PolarHBondContact O-N 3.22Å
293F95.5Very high89.4Confident4 Ų470.9 Ų70.92%0.01837%0.371CS..Hα-helixtrans-63.2-46.8178.4-172-101.5000112.1L147 F265 V266 V271 A274 F277 A289 W290 Q295 A296 Y297L147-F293 HydrophobicContact CD2-CD1 4.17Å; L147-F293 HydrophobicContact CD2-CG 4.31Å; F265-F293 HydrophobicContact CE2-CB 3.88Å; F265-F293 HydrophobicContact CZ-CB 3.98Å; F265-F293 HydrophobicContact CZ-CD2 4.26Å; V266-F293 HydrophobicContact CG2-CD2 4.22Å; V271-F293 HydrophobicContact CG1-CD2 4.25Å; V271-F293 HydrophobicContact CG1-CE2 4.08Å; A274-F293 HydrophobicContact CB-CE2 4.26Å; F277-F293 HydrophobicContact CE1-CB 4.49Å; F277-F293 AromaticContact CE1-CD2 3.5Å; F277-F293 HydrophobicContact CE1-CD2 3.5Å; F277-F293 AromaticContact CE1-CE2 3.87Å; F277-F293 HydrophobicContact CE1-CE2 3.87Å; F277-F293 HydrophobicContact CE1-CG 4.04Å; F277-F293 HydrophobicContact CZ-CB 4.33Å; F277-F293 HydrophobicContact CZ-CD2 4.07Å; F277-F293 HydrophobicContact CZ-CG 4.37Å; A289-F293 VanDerWaalsContact O-CB 3.26Å; A289-F293 WeakPolarHBondContact O-CB 3.32Å; A289-F293 PolarHBondContact O-N 2.95Å; W290-F293 HydrophobicContact CE3-CD1 4.28Å; W290-F293 AromaticContact CZ3-CD1 3.97Å; W290-F293 HydrophobicContact CZ3-CD1 3.97Å; W290-F293 PolarHBondContact O-N 3.3Å; F293-Q295 VanDerWaalsContact C-N 3.3Å; F293-Q295 PolarHBondContact O-N 3.13Å; F293-A296 PolarHBondContact O-N 3.35Å; F293-Y297 AromaticContact CE1-CD2 3.86Å; F293-Y297 HydrophobicContact CE1-CD2 3.86Å; F293-Y297 HydrophobicContact CE1-CG 4.12Å; F293-Y297 HydrophobicContact CE2-CD2 4.23Å; F293-Y297 AromaticContact CZ-CD2 3.49Å; F293-Y297 HydrophobicContact CZ-CD2 3.49Å; F293-Y297 VanDerWaalsContact CZ-CD2 3.49Å; F293-Y297 HydrophobicContact CZ-CE2 4.16Å; F293-Y297 HydrophobicContact CZ-CG 4.17Å; F293-Y297 WeakPolarHBondContact O-CB 3.41Å; F293-Y297 PolarHBondContact O-N 3.4Å
294R92.7Very high88.9Confident139 Ų13973.4 Ų73.453%0.52538%0.383SS..Hα-helixtrans-57.8-43.4179.8-178.1180170.1-165.1-1.8111.8W290 I298W290-R294 HydrophobicContact CZ2-CB 4.45Å; W290-R294 WeakPolarHBondContact O-CB 3.08Å; W290-R294 PolarHBondContact O-N 2.95Å; R294-I298 WeakPolarHBondContact O-CD1 3.45Å; R294-I298 VanDerWaalsContact O-CG1 3.29Å; R294-I298 WeakPolarHBondContact O-CG1 3.43Å; R294-I298 PolarHBondContact O-N 2.94Å
295Q91.5Very high88.5Confident139 Ų13971.8 Ų71.865%0.6538%0.378SS*.Hα-helixtrans-67.4-51.9177.7-69.9175.7-7.400111.6N291 R292 F293 Y297 I298 T299N291-Q295 WeakPolarHBondContact O-CG 3.39Å; N291-Q295 PolarHBondContact O-N 3.17Å; R292-Q295 PolarHBondContact O-N 3.12Å; F293-Q295 VanDerWaalsContact C-N 3.3Å; F293-Q295 PolarHBondContact O-N 3.13Å; Q295-Y297 VanDerWaalsContact C-N 3.33Å; Q295-Y297 PolarHBondContact O-N 3.41Å; Q295-I298 PolarHBondContact O-N 3.33Å; Q295-T299 PolarHBondContact O-N 2.89Å; Q295-T299 PolarHBondContact O-OG1 3.02Å
296A91.1Very high88.1Confident30 Ų3073.1 Ų73.125%0.24838%0.384CS..Hα-helixtrans-65.2-35.8-17700000112.6V271 R292 F293 I298 T299 C300V271-A296 HydrophobicContact CB-CB 4.41Å; V271-A296 HydrophobicContact CG1-CB 3.7Å; V271-A296 HydrophobicContact CG2-CB 3.97Å; R292-A296 WeakPolarHBondContact O-CB 3.19Å; R292-A296 PolarHBondContact O-N 3.22Å; F293-A296 PolarHBondContact O-N 3.35Å; A296-I298 VanDerWaalsContact C-N 3.35Å; A296-I298 PolarHBondContact O-N 2.93Å; A296-T299 PolarHBondContact O-N 3.14Å; A296-C300 PolarHBondContact O-N 3.12Å; A296-C300 VanDerWaalsContact O-N 3.09Å
297Y89.4Confident87.5Confident21 Ų2177.4 Ų77.48%0.08241%0.407CS..Hα-helixtrans-67.8-33.2179.8-168.6-87.8000112.4K151 R152 V271 F293 Q295 C300 T301K151-Y297 HydrophobicContact CB-CE1 4.13Å; K151-Y297 HydrophobicContact CD-CD1 4.35Å; K151-Y297 HydrophobicContact CD-CE1 3.66Å; K151-Y297 HydrophobicContact CG-CE1 4.47Å; R152-Y297 HydrophobicContact CG-CE2 4.06Å; V271-Y297 HydrophobicContact CG1-CD2 4.5Å; F293-Y297 AromaticContact CE1-CD2 3.86Å; F293-Y297 HydrophobicContact CE1-CD2 3.86Å; F293-Y297 HydrophobicContact CE1-CG 4.12Å; F293-Y297 HydrophobicContact CE2-CD2 4.23Å; F293-Y297 AromaticContact CZ-CD2 3.49Å; F293-Y297 HydrophobicContact CZ-CD2 3.49Å; F293-Y297 VanDerWaalsContact CZ-CD2 3.49Å; F293-Y297 HydrophobicContact CZ-CE2 4.16Å; F293-Y297 HydrophobicContact CZ-CG 4.17Å; F293-Y297 WeakPolarHBondContact O-CB 3.41Å; F293-Y297 PolarHBondContact O-N 3.4Å; Q295-Y297 VanDerWaalsContact C-N 3.33Å; Q295-Y297 PolarHBondContact O-N 3.41Å; Y297-C300 WeakPolarHBondContact O-CB 3.31Å; Y297-C300 PolarHBondContact O-N 3.3Å; Y297-T301 HydrophobicContact CD1-CG2 3.94Å; Y297-T301 HydrophobicContact CE1-CG2 3.42Å; Y297-T301 VanDerWaalsContact CE1-CG2 3.42Å; Y297-T301 PolarHBondContact O-N 2.99Å; Y297-T301 VanDerWaalsContact O-N 3.14Å; Y297-T301 PolarHBondContact O-OG1 3.12Å
298I86.1Confident86.9Confident82 Ų8278.2 Ų78.242%0.42142%0.417SS..Hα-helixtrans-63.2-46174.8-70.3164.2000110.3R294 Q295 A296 C300 T301 N302R294-I298 WeakPolarHBondContact O-CD1 3.45Å; R294-I298 VanDerWaalsContact O-CG1 3.29Å; R294-I298 WeakPolarHBondContact O-CG1 3.43Å; R294-I298 PolarHBondContact O-N 2.94Å; Q295-I298 PolarHBondContact O-N 3.33Å; A296-I298 VanDerWaalsContact C-N 3.35Å; A296-I298 PolarHBondContact O-N 2.93Å; I298-C300 VanDerWaalsContact C-N 3.31Å; I298-C300 PolarHBondContact O-N 2.94Å; I298-T301 PolarHBondContact O-N 3.13Å; I298-T301 PolarHBondContact O-OG1 2.83Å; I298-N302 PolarHBondContact O-N 3.4Å; I298-N302 PolarHBondContact O-ND2 3.42Å
299T84.2Confident86.3Confident101 Ų10175.1 Ų75.162%0.6241%0.406SS*.Hα-helixtrans-60.2-43.1177.6-48.90000111.4Q295 A296 T301 N302 A303Q295-T299 PolarHBondContact O-N 2.89Å; Q295-T299 PolarHBondContact O-OG1 3.02Å; A296-T299 PolarHBondContact O-N 3.14Å; T299-T301 VanDerWaalsContact C-N 3.34Å; T299-T301 PolarHBondContact O-N 3.5Å; T299-N302 PolarHBondContact O-N 2.73Å; T299-A303 PolarHBondContact O-N 3.17Å
300C82Confident85.6Confident27 Ų2780.1 Ų80.118%0.18243%0.433CS..Hα-helixtrans-59.9-36176.2-850000115C272 A296 Y297 I298C272-C300 VanDerWaalsContact CA-SG 3.5Å; C272-C300 HydrophobicContact CB-CB 3.56Å; C272-C300 WeakPolarHBondContact CB-SG 3.13Å; C272-C300 PolarHBondContact N-SG 3.26Å; C272-C300 VanDerWaalsContact N-SG 3.41Å; C272-C300 WeakPolarHBondContact SG-CB 3.31Å; C272-C300 CovalentContact SG-SG 2.04Å; C272-C300 PolarHBondContact SG-SG 3.47Å; A296-C300 PolarHBondContact O-N 3.12Å; A296-C300 VanDerWaalsContact O-N 3.09Å; Y297-C300 WeakPolarHBondContact O-CB 3.31Å; Y297-C300 PolarHBondContact O-N 3.3Å; I298-C300 VanDerWaalsContact C-N 3.31Å; I298-C300 PolarHBondContact O-N 2.94Å
301T75.9Confident84.7Confident62 Ų6284.9 Ų84.938%0.3846%0.461SS..Hα-helixtrans-89.2-13.1-175.4520000113.8Y297 I298 T299Y297-T301 HydrophobicContact CD1-CG2 3.94Å; Y297-T301 HydrophobicContact CE1-CG2 3.42Å; Y297-T301 VanDerWaalsContact CE1-CG2 3.42Å; Y297-T301 PolarHBondContact O-N 2.99Å; Y297-T301 VanDerWaalsContact O-N 3.14Å; Y297-T301 PolarHBondContact O-OG1 3.12Å; I298-T301 PolarHBondContact O-N 3.13Å; I298-T301 PolarHBondContact O-OG1 2.83Å; T299-T301 VanDerWaalsContact C-N 3.34Å; T299-T301 PolarHBondContact O-N 3.5Å
302N69.7Low83.8Confident133 Ų13384.2 Ų84.271%0.71146%0.457SS*.Hα-helixtrans-98.9-10.4177.7-67.5-13.1000112.7I298 T299I298-N302 PolarHBondContact O-N 3.4Å; I298-N302 PolarHBondContact O-ND2 3.42Å; T299-N302 PolarHBondContact O-N 2.73Å
303A53.1Low82.8Confident139 Ų13979.7 Ų79.7100%1.14945%0.453SS*.  trans-910171.200000110.2T299T299-A303 PolarHBondContact O-N 3.17Å

Retrieved 303 of 303 residues in 256 ms (Link to these results)

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