A0A087YS84_POEFO Loading...

Citrate synthase-lysine N-methyltransferase CSKMT, mitochondrial

Protein-lysine methyltransferase that selectively trimethylates citrate synthase (CS) in mitochondria. Seems to conduct trimethylation in a highly distributive manner rather than in a processive manner, and thus introduces a single methyl group per binding event.

AlphaFold DB , UniProt , Accession A0A087YS84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 257 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1I34.3Very low40.3Very low199 Ų19980.4 Ų80.4100%1.02141%0.409SS*.  0-38.60-60.6172.5000110.6F3 A4I1-F3 VanDerWaalsContact C-N 3.3Å; I1-F3 PolarHBondContact O-N 3.14Å; I1-A4 WeakPolarHBondContact O-CB 3.49Å; I1-A4 PolarHBondContact O-N 2.87Å
2L32.9Very low40.5Very low105 Ų10576 Ų7655%0.5539%0.391SS..Hα-helixtrans-55-29.9172-98.678000116.7A4L2-A4 VanDerWaalsContact C-N 3.31Å
3F34.6Very low40.5Very low163 Ų16371.8 Ų71.872%0.71537%0.372SS*.Hα-helixtrans-74.7-19.8174.9-110.8-95.7000113.2I1 S7 M34I1-F3 VanDerWaalsContact C-N 3.3Å; I1-F3 PolarHBondContact O-N 3.14Å; F3-S7 WeakPolarHBondContact O-CB 3.41Å; F3-S7 PolarHBondContact O-N 3.29Å; F3-M34 HydrophobicContact CD1-CE 4.43Å; F3-M34 HydrophobicContact CE1-CE 4.02Å
4A36.3Very low40.4Very low44 Ų4469.7 Ų69.736%0.36437%0.367SS..Hα-helixtrans-81.1-33.7-167.100000113I1 L2 S7 L8I1-A4 WeakPolarHBondContact O-CB 3.49Å; I1-A4 PolarHBondContact O-N 2.87Å; L2-A4 VanDerWaalsContact C-N 3.31Å; A4-S7 CarbonylContact O-C 3.44Å; A4-S7 PolarHBondContact O-N 3Å; A4-L8 HydrophobicContact CB-CD1 4.48Å; A4-L8 WeakPolarHBondContact O-CA 3.44Å; A4-L8 WeakPolarHBondContact O-CB 3.31Å; A4-L8 VanDerWaalsContact O-CD1 3.31Å; A4-L8 WeakPolarHBondContact O-CD1 3.16Å; A4-L8 WeakPolarHBondContact O-CG 3.49Å; A4-L8 PolarHBondContact O-N 3.28Å
5A40.5Very low40.2Very low28 Ų2875.7 Ų75.723%0.23139%0.392CS..Hα-helixtrans-74.3-42.7-176.800000112.5L8 T9 D207A5-L8 PolarHBondContact O-N 3.22Å; A5-T9 WeakPolarHBondContact O-CB 3.4Å; A5-T9 PolarHBondContact O-N 2.79Å; A5-T9 PolarHBondContact O-OG1 3.39Å; A5-D207 WeakPolarHBondContact CB-OD2 3.05Å
6F43.9Very low40.3Very low18 Ų1877.1 Ų77.18%0.07940%0.396CS..Hα-helixtrans-70.2-39.3169.7-146-110.1000111.2L8 T9 L10 L30 M34 W62 F63 R177F6-L8 VanDerWaalsContact C-N 3.29Å; F6-L8 PolarHBondContact O-N 3.41Å; F6-T9 PolarHBondContact O-N 2.98Å; F6-L10 HydrophobicContact CD1-CD1 3.58Å; F6-L10 HydrophobicContact CD1-CG 4.24Å; F6-L10 HydrophobicContact CE1-CD1 3.98Å; F6-L10 HydrophobicContact CG-CD1 4.47Å; F6-L10 VanDerWaalsContact O-CB 3.25Å; F6-L10 WeakPolarHBondContact O-CB 3.39Å; F6-L10 WeakPolarHBondContact O-CD1 3.08Å; F6-L10 WeakPolarHBondContact O-CG 3.26Å; F6-L10 PolarHBondContact O-N 3.2Å; F6-L30 HydrophobicContact CE1-CD1 4.37Å; F6-M34 HydrophobicContact CD1-CE 4.04Å; F6-M34 HydrophobicContact CD1-CG 4.24Å; F6-M34 HydrophobicContact CD1-SD 4.04Å; F6-M34 HydrophobicContact CE1-CG 4.13Å; F6-M34 HydrophobicContact CE1-SD 4.31Å; F6-W62 HydrophobicContact CE1-CZ3 4.15Å; F6-W62 HydrophobicContact CE2-CE3 4.21Å; F6-W62 AromaticContact CZ-CE3 3.62Å; F6-W62 HydrophobicContact CZ-CE3 3.62Å; F6-W62 AromaticContact CZ-CZ3 3.54Å; F6-W62 HydrophobicContact CZ-CZ3 3.54Å; F6-F63 HydrophobicContact CE2-CE1 4.4Å; F6-R177 VanDerWaalsContact CD2-NH1 3.27Å
7S44.1Very low40.5Very low33 Ų3377.9 Ų77.923%0.23140%0.396CS..Hα-helixtrans-66.3-27.4173-169.20000112.8F3 A4 L10 R11F3-S7 WeakPolarHBondContact O-CB 3.41Å; F3-S7 PolarHBondContact O-N 3.29Å; A4-S7 CarbonylContact O-C 3.44Å; A4-S7 PolarHBondContact O-N 3Å; S7-L10 CarbonylContact O-C 3.31Å; S7-R11 WeakPolarHBondContact O-CA 3.18Å; S7-R11 WeakPolarHBondContact O-CB 3.18Å; S7-R11 WeakPolarHBondContact O-CD 3.48Å; S7-R11 WeakPolarHBondContact O-CG 3.19Å; S7-R11 PolarHBondContact O-N 3.15Å; S7-R11 PolarHBondContact OG-NE 3.04Å
8L43.2Very low40.3Very low94 Ų9482.7 Ų82.749%0.49242%0.422SS..Hα-helixtrans-78.6-41.4174.6-82.6160.3000111.3A4 A5 F6 L10 R11 S12 V242A4-L8 HydrophobicContact CB-CD1 4.48Å; A4-L8 WeakPolarHBondContact O-CA 3.44Å; A4-L8 WeakPolarHBondContact O-CB 3.31Å; A4-L8 VanDerWaalsContact O-CD1 3.31Å; A4-L8 WeakPolarHBondContact O-CD1 3.16Å; A4-L8 WeakPolarHBondContact O-CG 3.49Å; A4-L8 PolarHBondContact O-N 3.28Å; A5-L8 PolarHBondContact O-N 3.22Å; F6-L8 VanDerWaalsContact C-N 3.29Å; F6-L8 PolarHBondContact O-N 3.41Å; L8-L10 PolarHBondContact O-N 3.16Å; L8-R11 PolarHBondContact O-N 2.79Å; L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.4Å; L8-V242 HydrophobicContact CB-CG2 4.49Å
9T46.8Very low40.1Very low12 Ų1288.1 Ų88.17%0.07445%0.445CS..Hα-helixtrans-55.5-42.2167.8-52.20000109.9A5 F6 S12 C13 V242A5-T9 WeakPolarHBondContact O-CB 3.4Å; A5-T9 PolarHBondContact O-N 2.79Å; A5-T9 PolarHBondContact O-OG1 3.39Å; F6-T9 PolarHBondContact O-N 2.98Å; T9-S12 PolarHBondContact O-OG 3.16Å; T9-C13 WeakPolarHBondContact O-CB 3.49Å; T9-C13 PolarHBondContact O-N 3.16Å; T9-V242 WeakPolarHBondContact OG1-CG2 3.45Å
10L46.1Very low40.3Very low20 Ų2088.3 Ų88.311%0.10545%0.447CS..Hα-helixtrans-79.6-27.4177.6-65.9170000114.2F6 S7 L8 C13 S14 W24 L30 M34F6-L10 HydrophobicContact CD1-CD1 3.58Å; F6-L10 HydrophobicContact CD1-CG 4.24Å; F6-L10 HydrophobicContact CE1-CD1 3.98Å; F6-L10 HydrophobicContact CG-CD1 4.47Å; F6-L10 VanDerWaalsContact O-CB 3.25Å; F6-L10 WeakPolarHBondContact O-CB 3.39Å; F6-L10 WeakPolarHBondContact O-CD1 3.08Å; F6-L10 WeakPolarHBondContact O-CG 3.26Å; F6-L10 PolarHBondContact O-N 3.2Å; S7-L10 CarbonylContact O-C 3.31Å; L8-L10 PolarHBondContact O-N 3.16Å; L10-C13 CarbonylContact O-C 3.52Å; L10-S14 WeakPolarHBondContact O-CA 3.28Å; L10-S14 VanDerWaalsContact O-CB 3.25Å; L10-S14 WeakPolarHBondContact O-CB 3.47Å; L10-S14 PolarHBondContact O-N 2.82Å; L10-S14 PolarHBondContact O-OG 2.98Å; L10-W24 HydrophobicContact CD2-CH2 3.54Å; L10-W24 HydrophobicContact CD2-CZ2 3Å; L10-W24 HydrophobicContact CG-CZ2 4.48Å; L10-L30 HydrophobicContact CD1-CD2 3.46Å; L10-L30 VanDerWaalsContact CD1-CD2 3.46Å; L10-L30 HydrophobicContact CD1-CG 4.29Å; L10-L30 HydrophobicContact CD2-CD2 3.46Å; L10-L30 VanDerWaalsContact CD2-CD2 3.46Å; L10-L30 HydrophobicContact CG-CD2 4.06Å; L10-M34 HydrophobicContact CD1-SD 4.06Å
11R40.9Very low40.4Very low168 Ų16889.2 Ų89.263%0.63446%0.458SS*.Hα-helixtrans-78.3-35.8175.5-81.9167.2-170.9-126.91.5110.7S7 L8 S14 Q15S7-R11 WeakPolarHBondContact O-CA 3.18Å; S7-R11 WeakPolarHBondContact O-CB 3.18Å; S7-R11 WeakPolarHBondContact O-CD 3.48Å; S7-R11 WeakPolarHBondContact O-CG 3.19Å; S7-R11 PolarHBondContact O-N 3.15Å; S7-R11 PolarHBondContact OG-NE 3.04Å; L8-R11 PolarHBondContact O-N 2.79Å; R11-S14 CarbonylContact O-C 3.42Å; R11-S14 WeakPolarHBondContact O-CA 3.37Å; R11-S14 WeakPolarHBondContact O-CB 3.31Å; R11-S14 PolarHBondContact O-N 3.3Å; R11-S14 VanDerWaalsContact O-N 3.1Å; R11-Q15 PolarHBondContact O-N 3.36Å
12S42.9Very low41.2Very low28 Ų2885.6 Ų85.620%0.19644%0.44CS..Hα-helixtrans-69.1-39.6167.790.50000110.2L8 T9 S14 Q15 E16 R240L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.4Å; T9-S12 PolarHBondContact O-OG 3.16Å; S12-S14 PolarHBondContact O-N 3.15Å; S12-Q15 PolarHBondContact O-N 3.06Å; S12-Q15 VanDerWaalsContact O-N 3.14Å; S12-E16 PolarHBondContact O-N 3.24Å; S12-R240 VanDerWaalsContact CB-O 3.26Å; S12-R240 WeakPolarHBondContact CB-O 3.38Å; S12-R240 PolarHBondContact OG-O 3.33Å
13C39.8Very low42.1Very low22 Ų2286.4 Ų86.415%0.14944%0.439CS..Hα-helixtrans-62.3-25.8166.1-162.80000112.8T9 L10 E16 K17T9-C13 WeakPolarHBondContact O-CB 3.49Å; T9-C13 PolarHBondContact O-N 3.16Å; L10-C13 CarbonylContact O-C 3.52Å; C13-E16 PolarHBondContact O-N 2.93Å; C13-K17 PolarHBondContact O-N 2.7Å
14S40Very low43.1Very low42 Ų4281.1 Ų81.129%0.29442%0.415SS..Hα-helixtrans-79.6-26.9175.3-62.90000112.8L10 R11 S12 E16 K17L10-S14 WeakPolarHBondContact O-CA 3.28Å; L10-S14 VanDerWaalsContact O-CB 3.25Å; L10-S14 WeakPolarHBondContact O-CB 3.47Å; L10-S14 PolarHBondContact O-N 2.82Å; L10-S14 PolarHBondContact O-OG 2.98Å; R11-S14 CarbonylContact O-C 3.42Å; R11-S14 WeakPolarHBondContact O-CA 3.37Å; R11-S14 WeakPolarHBondContact O-CB 3.31Å; R11-S14 PolarHBondContact O-N 3.3Å; R11-S14 VanDerWaalsContact O-N 3.1Å; S12-S14 PolarHBondContact O-N 3.15Å; S14-E16 VanDerWaalsContact C-N 3.29Å; S14-K17 WeakPolarHBondContact O-CB 3.33Å; S14-K17 PolarHBondContact O-N 3.37Å; S14-K17 VanDerWaalsContact OG-CE 3.26Å; S14-K17 WeakPolarHBondContact OG-CE 3.26Å; S14-K17 PolarHBondContact OG-NZ 3.31Å
15Q37.4Very low44.5Very low159 Ų15979.3 Ų79.374%0.74340%0.399SS*.Hα-helixtrans-70.9-28.6169.2-74.4-178.1-28.200111.2R11 S12 K17R11-Q15 PolarHBondContact O-N 3.36Å; S12-Q15 PolarHBondContact O-N 3.06Å; S12-Q15 VanDerWaalsContact O-N 3.14Å; Q15-K17 VanDerWaalsContact C-N 3.29Å; Q15-K17 PolarHBondContact O-N 3.39Å
16E41.3Very low46Very low99 Ų9985.3 Ų85.346%0.46342%0.416SS..G310 helixtrans-75.1-6.1167.5-79.4-174.5170.600114.5S12 C13 S14 L18 Q19S12-E16 PolarHBondContact O-N 3.24Å; C13-E16 PolarHBondContact O-N 2.93Å; S14-E16 VanDerWaalsContact C-N 3.29Å; E16-L18 PolarHBondContact O-N 2.86Å; E16-Q19 PolarHBondContact O-N 3.25Å
17K42.9Very low47.5Very low91 Ų9190.8 Ų90.840%0.39644%0.442SS..G310 helixtrans-59.2-9.2175.3-78.3168.3-177.61720113.7C13 S14 Q15 E27C13-K17 PolarHBondContact O-N 2.7Å; S14-K17 WeakPolarHBondContact O-CB 3.33Å; S14-K17 PolarHBondContact O-N 3.37Å; S14-K17 VanDerWaalsContact OG-CE 3.26Å; S14-K17 WeakPolarHBondContact OG-CE 3.26Å; S14-K17 PolarHBondContact OG-NZ 3.31Å; Q15-K17 VanDerWaalsContact C-N 3.29Å; Q15-K17 PolarHBondContact O-N 3.39Å; K17-E27 IonicContact NZ-OE1 3.53Å; K17-E27 PolarHBondContact NZ-OE1 3.25Å
18L37.5Very low49Very low164 Ų16493.4 Ų93.486%0.85946%0.46SS*.G310 helixtrans-86.2-2.1174.4-81.5150.8000114.5E16E16-L18 PolarHBondContact O-N 2.86Å
19Q37.5Very low50.6Low184 Ų18489.3 Ų89.386%0.8644%0.438SS*.THydrogen-bonded Turntrans-130.3-18.7-178-71.3-171.7-12.200118E16E16-Q19 PolarHBondContact O-N 3.25Å
20D42.8Very low52.1Low93 Ų9389.2 Ų89.250%0.49744%0.437SS..  trans-156.786.9174.8-152.9-12.3000114.3N22 K23D20-N22 PolarHBondContact O-N 2.85Å; D20-N22 VanDerWaalsContact O-N 3.15Å; D20-K23 PolarHBondContact O-N 2.85Å
21T42.9Very low53.8Low108 Ų10890.5 Ų90.566%0.66345%0.451SS*.THydrogen-bonded Turntrans-68.6-8.2-177.654.80000114.4R53T21-R53 PolarHBondContact O-NH2 3.15Å
22N51Low55.8Low122 Ų12286 Ų8665%0.65244%0.437SS*.THydrogen-bonded Turntrans-92.4-12.5-179.4-74.8-28.7000113.9D20D20-N22 PolarHBondContact O-N 2.85Å; D20-N22 VanDerWaalsContact O-N 3.15Å
23K51.8Low57.9Low122 Ų12284.8 Ų84.853%0.5343%0.428SS..SBendtrans-86.2-24.5-174.2-166.8177.3178.3-174.50113.9D20D20-K23 PolarHBondContact O-N 2.85Å
24W56.7Low60Low52 Ų5285.6 Ų85.620%0.19743%0.431CS..SBendtrans-113.3140.5-170.8-161.7-96.1000113.2L10 L30 R53 F60 W62L10-W24 HydrophobicContact CD2-CH2 3.54Å; L10-W24 HydrophobicContact CD2-CZ2 3Å; L10-W24 HydrophobicContact CG-CZ2 4.48Å; W24-L30 HydrophobicContact CZ2-CD1 4.14Å; W24-L30 HydrophobicContact CZ2-CD2 3.78Å; W24-R53 PolarHBondContact O-NH1 3.23Å; W24-F60 HydrophobicContact CE3-CE2 4.09Å; W24-F60 HydrophobicContact CE3-CZ 4.11Å; W24-F60 AromaticContact CH2-CZ 3.84Å; W24-F60 HydrophobicContact CH2-CZ 3.84Å; W24-F60 AromaticContact CZ3-CE2 3.9Å; W24-F60 HydrophobicContact CZ3-CE2 3.9Å; W24-F60 AromaticContact CZ3-CZ 3.5Å; W24-F60 HydrophobicContact CZ3-CZ 3.5Å; W24-W62 HydrophobicContact CH2-CE3 4.35Å; W24-W62 AromaticContact CH2-CZ3 3.98Å; W24-W62 HydrophobicContact CH2-CZ3 3.98Å; W24-W62 HydrophobicContact CZ2-CZ3 4.29Å
25P64Low62.2Low6 Ų690.5 Ų90.54%0.03945%0.449CS..  trans-59.9160.7174.2-9.914.6000113.3M29 F46P25-M29 HydrophobicContact CB-CE 4.16Å; P25-M29 HydrophobicContact CB-SD 3.76Å; P25-F46 HydrophobicContact CB-CE2 4.31Å; P25-F46 HydrophobicContact CG-CD2 4.14Å; P25-F46 HydrophobicContact CG-CE2 3.38Å; P25-F46 HydrophobicContact CG-CZ 4.09Å
26R73.3Confident64.6Low155 Ų15585.6 Ų85.659%0.58543%0.428SS*.  trans-60.7142.3173.3-72-172.3-95.7-153.2-3.5110.1S28 M29 L30R26-S28 PolarHBondContact O-N 3.1Å; R26-M29 HydrophobicContact CB-CB 4.49Å; R26-M29 WeakPolarHBondContact O-CB 3.3Å; R26-M29 PolarHBondContact O-N 2.98Å; R26-L30 PolarHBondContact O-N 3.17Å; R26-L30 VanDerWaalsContact O-N 3.11Å
27E74.1Confident66.9Low133 Ų13381.5 Ų81.562%0.62141%0.409SS*.Hα-helixtrans-54.8-39.1-178.7-70.4-177.9168.400112.9K17 M29 L30 A31K17-E27 IonicContact NZ-OE1 3.53Å; K17-E27 PolarHBondContact NZ-OE1 3.25Å; E27-M29 VanDerWaalsContact C-N 3.35Å; E27-M29 PolarHBondContact O-N 3.12Å; E27-L30 PolarHBondContact O-N 2.59Å; E27-A31 PolarHBondContact O-N 3.04Å
28S75.9Confident69.2Low87 Ų8777.9 Ų77.961%0.60839%0.393SS*.Hα-helixtrans-64.3-36.8177.461.30000113.3R26 E32R26-S28 PolarHBondContact O-N 3.1Å; S28-E32 PolarHBondContact O-N 2.99Å; S28-E32 VanDerWaalsContact O-N 3.09Å
29M76.7Confident71.8Confident8 Ų873.3 Ų73.34%0.03937%0.367CS..Hα-helixtrans-69.1-40.6176.9-175.8-164-44.300110.7P25 R26 E27 A31 E32 L33 F46 E49P25-M29 HydrophobicContact CB-CE 4.16Å; P25-M29 HydrophobicContact CB-SD 3.76Å; R26-M29 HydrophobicContact CB-CB 4.49Å; R26-M29 WeakPolarHBondContact O-CB 3.3Å; R26-M29 PolarHBondContact O-N 2.98Å; E27-M29 VanDerWaalsContact C-N 3.35Å; E27-M29 PolarHBondContact O-N 3.12Å; M29-A31 VanDerWaalsContact C-N 3.34Å; M29-E32 PolarHBondContact O-N 3.33Å; M29-L33 WeakPolarHBondContact O-CB 3.4Å; M29-L33 PolarHBondContact O-N 3.02Å; M29-F46 HydrophobicContact SD-CD2 4.26Å; M29-E49 HydrophobicContact CE-CB 3.58Å; M29-E49 HydrophobicContact CE-CG 4.2Å; M29-E49 WeakPolarHBondContact CE-OE2 3.31Å; M29-E49 HydrophobicContact SD-CB 3.98Å
30L79.4Confident74.6Confident11 Ų1167.7 Ų67.76%0.05834%0.34CS..Hα-helixtrans-66-40.3177.6-175.564.9000111.4F6 L10 W24 R26 E27 L33 M34 W62F6-L30 HydrophobicContact CE1-CD1 4.37Å; L10-L30 HydrophobicContact CD1-CD2 3.46Å; L10-L30 VanDerWaalsContact CD1-CD2 3.46Å; L10-L30 HydrophobicContact CD1-CG 4.29Å; L10-L30 HydrophobicContact CD2-CD2 3.46Å; L10-L30 VanDerWaalsContact CD2-CD2 3.46Å; L10-L30 HydrophobicContact CG-CD2 4.06Å; W24-L30 HydrophobicContact CZ2-CD1 4.14Å; W24-L30 HydrophobicContact CZ2-CD2 3.78Å; R26-L30 PolarHBondContact O-N 3.17Å; R26-L30 VanDerWaalsContact O-N 3.11Å; E27-L30 PolarHBondContact O-N 2.59Å; L30-L33 PolarHBondContact O-N 3.44Å; L30-M34 HydrophobicContact CD1-CG 4.49Å; L30-M34 HydrophobicContact CG-CG 4.41Å; L30-M34 HydrophobicContact CG-SD 4.03Å; L30-M34 WeakPolarHBondContact O-CB 3.5Å; L30-M34 WeakPolarHBondContact O-CG 3.28Å; L30-M34 PolarHBondContact O-N 3.32Å; L30-W62 HydrophobicContact CD1-CH2 4.09Å; L30-W62 HydrophobicContact CD1-CZ3 4.14Å
31A81Confident77.1Confident47 Ų4767.3 Ų67.339%0.38834%0.344SS..Hα-helixtrans-60-47174.300000111.7E27 M29 L33 M34 E35E27-A31 PolarHBondContact O-N 3.04Å; M29-A31 VanDerWaalsContact C-N 3.34Å; A31-L33 PolarHBondContact O-N 2.79Å; A31-M34 PolarHBondContact O-N 3.5Å; A31-E35 PolarHBondContact O-N 2.83Å; A31-E35 VanDerWaalsContact O-N 3.14Å
32E82.8Confident79.5Confident72 Ų7262.6 Ų62.634%0.33632%0.316SS..Hα-helixtrans-61.6-42176.5-174.7-175.415500112.3S28 M29 E35 N36 R45S28-E32 PolarHBondContact O-N 2.99Å; S28-E32 VanDerWaalsContact O-N 3.09Å; M29-E32 PolarHBondContact O-N 3.33Å; E32-E35 PolarHBondContact O-N 3.01Å; E32-N36 PolarHBondContact O-N 2.72Å; E32-N36 PolarHBondContact O-ND2 3.28Å; E32-R45 IonicContact OE1-CZ 3.53Å; E32-R45 IonicContact OE1-NH1 2.81Å; E32-R45 PolarHBondContact OE1-NH1 3.48Å; E32-R45 IonicContact OE2-CZ 3.7Å; E32-R45 VanDerWaalsContact OE2-CZ 3.3Å; E32-R45 IonicContact OE2-NH1 2.74Å; E32-R45 PolarHBondContact OE2-NH1 3.25Å; E32-R45 IonicContact OE2-NH2 3.72Å
33L86.8Confident81.6Confident4 Ų458.1 Ų58.12%0.02129%0.29CS..Hα-helixtrans-61.2-47.4174.9176.862.6000110.7M29 L30 A31 E35 N36 M37 A42 W43 F46 W62M29-L33 WeakPolarHBondContact O-CB 3.4Å; M29-L33 PolarHBondContact O-N 3.02Å; L30-L33 PolarHBondContact O-N 3.44Å; A31-L33 PolarHBondContact O-N 2.79Å; L33-E35 PolarHBondContact O-N 2.94Å; L33-N36 CarbonylContact O-C 3.42Å; L33-N36 VanDerWaalsContact O-C 3.31Å; L33-N36 PolarHBondContact O-N 2.92Å; L33-M37 HydrophobicContact CD1-CG 4.48Å; L33-M37 HydrophobicContact CG-CG 4.31Å; L33-M37 WeakPolarHBondContact O-CG 3.32Å; L33-M37 PolarHBondContact O-N 3.37Å; L33-A42 HydrophobicContact CD1-CB 3.89Å; L33-W43 HydrophobicContact CD1-CD2 3.86Å; L33-W43 HydrophobicContact CD1-CE3 3.99Å; L33-W43 HydrophobicContact CD1-CG 4.38Å; L33-W43 HydrophobicContact CD1-CH2 4.3Å; L33-W43 HydrophobicContact CD1-CZ2 4.16Å; L33-W43 HydrophobicContact CD1-CZ3 4.23Å; L33-W43 HydrophobicContact CD2-CE3 4.33Å; L33-W43 HydrophobicContact CD2-CH2 4.18Å; L33-W43 HydrophobicContact CD2-CZ3 3.94Å; L33-F46 HydrophobicContact CD2-CB 4.27Å; L33-F46 HydrophobicContact CD2-CD2 3.59Å; L33-F46 HydrophobicContact CD2-CE2 4.05Å; L33-F46 HydrophobicContact CD2-CG 3.99Å; L33-W62 HydrophobicContact CD2-CH2 3.7Å; L33-W62 HydrophobicContact CD2-CZ2 3.87Å
34M84Confident83.7Confident39 Ų3953.9 Ų53.919%0.19227%0.273CS..Hα-helixtrans-59.2-32.8-178.8-75.2172.668.100112.8F3 F6 L10 L30 A31 N36F3-M34 HydrophobicContact CD1-CE 4.43Å; F3-M34 HydrophobicContact CE1-CE 4.02Å; F6-M34 HydrophobicContact CD1-CE 4.04Å; F6-M34 HydrophobicContact CD1-CG 4.24Å; F6-M34 HydrophobicContact CD1-SD 4.04Å; F6-M34 HydrophobicContact CE1-CG 4.13Å; F6-M34 HydrophobicContact CE1-SD 4.31Å; L10-M34 HydrophobicContact CD1-SD 4.06Å; L30-M34 HydrophobicContact CD1-CG 4.49Å; L30-M34 HydrophobicContact CG-CG 4.41Å; L30-M34 HydrophobicContact CG-SD 4.03Å; L30-M34 WeakPolarHBondContact O-CB 3.5Å; L30-M34 WeakPolarHBondContact O-CG 3.28Å; L30-M34 PolarHBondContact O-N 3.32Å; A31-M34 PolarHBondContact O-N 3.5Å; M34-N36 VanDerWaalsContact C-N 3.31Å
35E85.8Confident85.5Confident145 Ų14556.7 Ų56.768%0.67828%0.284SS*.Hα-helixtrans-75.5-19.4176.2-71179.4-176.800113.3A31 E32 L33A31-E35 PolarHBondContact O-N 2.83Å; A31-E35 VanDerWaalsContact O-N 3.14Å; E32-E35 PolarHBondContact O-N 3.01Å; L33-E35 PolarHBondContact O-N 2.94Å
36N89Confident86.8Confident56 Ų5656.5 Ų56.530%0.29928%0.282SS..  trans-133.630.4-168.3-61.5-72.8000113.1E32 L33 M34 D38 K39 A42E32-N36 PolarHBondContact O-N 2.72Å; E32-N36 PolarHBondContact O-ND2 3.28Å; L33-N36 CarbonylContact O-C 3.42Å; L33-N36 VanDerWaalsContact O-C 3.31Å; L33-N36 PolarHBondContact O-N 2.92Å; M34-N36 VanDerWaalsContact C-N 3.31Å; N36-D38 PolarHBondContact O-N 2.81Å; N36-D38 VanDerWaalsContact O-N 3.08Å; N36-K39 HydrophobicContact CB-CB 4.3Å; N36-K39 HydrophobicContact CB-CG 4Å; N36-K39 WeakPolarHBondContact O-CB 3.2Å; N36-K39 PolarHBondContact O-N 2.98Å; N36-A42 HydrophobicContact CB-CB 3.78Å; N36-A42 WeakPolarHBondContact O-CB 3.46Å
37M89.6Confident87.8Confident12 Ų1249.5 Ų49.56%0.05926%0.256CS..THydrogen-bonded Turntrans-65.2-12.9-176-68.9-171.1-71.300113.6L33 W43 A174 R177 S178L33-M37 HydrophobicContact CD1-CG 4.48Å; L33-M37 HydrophobicContact CG-CG 4.31Å; L33-M37 WeakPolarHBondContact O-CG 3.32Å; L33-M37 PolarHBondContact O-N 3.37Å; M37-W43 HydrophobicContact CB-CZ2 4.17Å; M37-W43 HydrophobicContact CG-CZ2 4.19Å; M37-W43 PolarHBondContact O-NE1 3.07Å; M37-A174 HydrophobicContact CB-CB 4Å; M37-A174 VanDerWaalsContact CB-O 3.29Å; M37-A174 WeakPolarHBondContact CB-O 3.06Å; M37-A174 HydrophobicContact SD-CB 4.34Å; M37-R177 HydrophobicContact CE-CB 3.38Å; M37-R177 HydrophobicContact CE-CG 4.37Å; M37-S178 WeakPolarHBondContact CB-OG 3.32Å; M37-S178 PolarHBondContact N-OG 2.74Å
38D90.7Very high88.7Confident15 Ų1545.7 Ų45.78%0.0824%0.244CC..THydrogen-bonded Turntrans-89.41.117278.5-53.8000114N36 L175 S178 K184N36-D38 PolarHBondContact O-N 2.81Å; N36-D38 VanDerWaalsContact O-N 3.08Å; D38-L175 HydrophobicContact CB-CD2 4.13Å; D38-S178 PolarHBondContact N-OG 3.26Å; D38-K184 HydrophobicContact CB-CD 4.37Å; D38-K184 PolarHBondContact O-NZ 3.39Å; D38-K184 IonicContact OD2-NZ 2.6Å; D38-K184 PolarHBondContact OD2-NZ 2.66Å
39K93.3Very high89.3Confident68 Ų6843.5 Ų43.530%0.29622%0.224SC..  trans-109.3124.5-176.3-50.6-54.6-176.8-157.60111N36 S41 A42 E180N36-K39 HydrophobicContact CB-CB 4.3Å; N36-K39 HydrophobicContact CB-CG 4Å; N36-K39 WeakPolarHBondContact O-CB 3.2Å; N36-K39 PolarHBondContact O-N 2.98Å; K39-S41 VanDerWaalsContact C-N 3.25Å; K39-S41 PolarHBondContact O-N 3.39Å; K39-A42 HydrophobicContact CB-CB 4.47Å; K39-A42 WeakPolarHBondContact O-CB 3.44Å; K39-A42 PolarHBondContact O-N 3.4Å; K39-A42 VanDerWaalsContact O-N 3.13Å; K39-E180 IonicContact NZ-OE2 3.5Å
40K95.4Very high89.6Confident67 Ų6745 Ų4529%0.29123%0.234SC..Hα-helixtrans-50.2-42.9173.7-178.5179.6-178.6-49.50113.3A42 W43 D44 I118 P120 E148K40-A42 VanDerWaalsContact C-N 3.3Å; K40-A42 PolarHBondContact O-N 3.48Å; K40-W43 PolarHBondContact O-N 2.81Å; K40-D44 IonicContact NZ-OD1 2.78Å; K40-D44 IonicContact NZ-OD2 3.3Å; K40-D44 PolarHBondContact NZ-OD2 3.45Å; K40-D44 PolarHBondContact O-N 3.23Å; K40-I118 HydrophobicContact CB-CD1 3.86Å; K40-I118 HydrophobicContact CB-CG1 3.96Å; K40-I118 HydrophobicContact CD-CG1 4.12Å; K40-I118 WeakPolarHBondContact CD-O 3.39Å; K40-I118 WeakPolarHBondContact CE-O 3.46Å; K40-I118 HydrophobicContact CG-CD1 4.43Å; K40-I118 HydrophobicContact CG-CG1 3.95Å; K40-I118 WeakPolarHBondContact CG-O 3.28Å; K40-P120 VanDerWaalsContact CE-CD 3.45Å; K40-P120 VanDerWaalsContact NZ-CG 3.31Å; K40-E148 WeakPolarHBondContact CE-OE1 3.39Å; K40-E148 IonicContact NZ-OE1 3.37Å
41S95.8Very high89.9Confident85 Ų8546.2 Ų46.259%0.59424%0.243SC*.Hα-helixtrans-62.5-34-178.1510000113.4K39 R45K39-S41 VanDerWaalsContact C-N 3.25Å; K39-S41 PolarHBondContact O-N 3.39Å; S41-R45 WeakPolarHBondContact O-CB 3.43Å; S41-R45 PolarHBondContact O-N 2.9Å
42A93Very high89.9Confident9 Ų948.6 Ų48.67%0.07426%0.257CS..Hα-helixtrans-66.4-43.2177.500000111L33 N36 K39 K40 R45 F46L33-A42 HydrophobicContact CD1-CB 3.89Å; N36-A42 HydrophobicContact CB-CB 3.78Å; N36-A42 WeakPolarHBondContact O-CB 3.46Å; K39-A42 HydrophobicContact CB-CB 4.47Å; K39-A42 WeakPolarHBondContact O-CB 3.44Å; K39-A42 PolarHBondContact O-N 3.4Å; K39-A42 VanDerWaalsContact O-N 3.13Å; K40-A42 VanDerWaalsContact C-N 3.3Å; K40-A42 PolarHBondContact O-N 3.48Å; A42-R45 PolarHBondContact O-N 2.89Å; A42-F46 WeakPolarHBondContact O-CB 3.31Å; A42-F46 PolarHBondContact O-N 2.83Å
43W95.2Very high89.7Confident27 Ų2750 Ų5010%0.10226%0.259CS..Hα-helixtrans-67.8-43.6175.4-67.1107.5000112.7L33 M37 K40 R45 F46 Y47 W62 A174L33-W43 HydrophobicContact CD1-CD2 3.86Å; L33-W43 HydrophobicContact CD1-CE3 3.99Å; L33-W43 HydrophobicContact CD1-CG 4.38Å; L33-W43 HydrophobicContact CD1-CH2 4.3Å; L33-W43 HydrophobicContact CD1-CZ2 4.16Å; L33-W43 HydrophobicContact CD1-CZ3 4.23Å; L33-W43 HydrophobicContact CD2-CE3 4.33Å; L33-W43 HydrophobicContact CD2-CH2 4.18Å; L33-W43 HydrophobicContact CD2-CZ3 3.94Å; M37-W43 HydrophobicContact CB-CZ2 4.17Å; M37-W43 HydrophobicContact CG-CZ2 4.19Å; M37-W43 PolarHBondContact O-NE1 3.07Å; K40-W43 PolarHBondContact O-N 2.81Å; W43-R45 VanDerWaalsContact C-N 3.27Å; W43-R45 PolarHBondContact O-N 2.8Å; W43-F46 HydrophobicContact CE3-CD1 4.49Å; W43-F46 WeakPolarHBondContact O-CB 2.93Å; W43-F46 PolarHBondContact O-N 2.81Å; W43-Y47 HydrophobicContact CB-CD2 4.37Å; W43-Y47 HydrophobicContact CB-CE2 4.12Å; W43-Y47 HydrophobicContact CE3-CE2 4.03Å; W43-Y47 WeakPolarHBondContact O-CD2 3.27Å; W43-Y47 PolarHBondContact O-N 2.94Å; W43-W62 AromaticContact CH2-CZ2 4Å; W43-W62 HydrophobicContact CH2-CZ2 4Å; W43-W62 AromaticContact CZ3-CE2 3.82Å; W43-W62 AromaticContact CZ3-CZ2 3.55Å; W43-W62 HydrophobicContact CZ3-CZ2 3.55Å; W43-W62 AromaticContact CZ3-NE1 3.73Å; W43-A174 HydrophobicContact CZ2-CB 3.94Å
44D96.3Very high89Confident33 Ų3352 Ų5218%0.17627%0.274CS..Hα-helixtrans-56-44.2175.5-74.7-16000111.7K40 S48 S119 P120 V121K40-D44 IonicContact NZ-OD1 2.78Å; K40-D44 IonicContact NZ-OD2 3.3Å; K40-D44 PolarHBondContact NZ-OD2 3.45Å; K40-D44 PolarHBondContact O-N 3.23Å; D44-S48 VanDerWaalsContact O-CB 3.27Å; D44-S48 WeakPolarHBondContact O-CB 3.21Å; D44-S48 PolarHBondContact O-N 3.3Å; D44-S48 PolarHBondContact O-OG 3.49Å; D44-S119 VanDerWaalsContact OD1-CA 3.26Å; D44-S119 WeakPolarHBondContact OD1-CA 3.41Å; D44-S119 VanDerWaalsContact OD1-CB 3.24Å; D44-S119 WeakPolarHBondContact OD1-CB 3.42Å; D44-S119 PolarHBondContact OD1-OG 3.41Å; D44-P120 WeakPolarHBondContact OD1-CD 3.38Å; D44-V121 HydrophobicContact CB-CG2 4.14Å
45R93.6Very high88.6Confident111 Ų11156.5 Ų56.542%0.41931%0.306SS..Hα-helixtrans-64.1-48.6176.1-176.3175.5-179.5-178.2-5.9111.3E32 S41 A42 W43 Y47 S48 E49E32-R45 IonicContact OE1-CZ 3.53Å; E32-R45 IonicContact OE1-NH1 2.81Å; E32-R45 PolarHBondContact OE1-NH1 3.48Å; E32-R45 IonicContact OE2-CZ 3.7Å; E32-R45 VanDerWaalsContact OE2-CZ 3.3Å; E32-R45 IonicContact OE2-NH1 2.74Å; E32-R45 PolarHBondContact OE2-NH1 3.25Å; E32-R45 IonicContact OE2-NH2 3.72Å; S41-R45 WeakPolarHBondContact O-CB 3.43Å; S41-R45 PolarHBondContact O-N 2.9Å; A42-R45 PolarHBondContact O-N 2.89Å; W43-R45 VanDerWaalsContact C-N 3.27Å; W43-R45 PolarHBondContact O-N 2.8Å; R45-Y47 PolarHBondContact O-N 3.15Å; R45-S48 PolarHBondContact O-N 2.88Å; R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 WeakPolarHBondContact CG-OE1 3.43Å; R45-E49 IonicContact CZ-OE1 2.69Å; R45-E49 IonicContact NE-OE1 2.71Å; R45-E49 PolarHBondContact NE-OE1 2.82Å; R45-E49 IonicContact NH2-OE1 3.67Å; R45-E49 PolarHBondContact NH2-OE1 3.22Å; R45-E49 WeakPolarHBondContact O-CB 3.5Å; R45-E49 WeakPolarHBondContact O-CG 3.38Å; R45-E49 PolarHBondContact O-N 3Å
46F92.1Very high88.3Confident2 Ų255.1 Ų55.11%0.00930%0.303CS..Hα-helixtrans-54.2-50.1177.7172.4-91.3000112.1P25 M29 L33 A42 W43 T50 F60 W62P25-F46 HydrophobicContact CB-CE2 4.31Å; P25-F46 HydrophobicContact CG-CD2 4.14Å; P25-F46 HydrophobicContact CG-CE2 3.38Å; P25-F46 HydrophobicContact CG-CZ 4.09Å; M29-F46 HydrophobicContact SD-CD2 4.26Å; L33-F46 HydrophobicContact CD2-CB 4.27Å; L33-F46 HydrophobicContact CD2-CD2 3.59Å; L33-F46 HydrophobicContact CD2-CE2 4.05Å; L33-F46 HydrophobicContact CD2-CG 3.99Å; A42-F46 WeakPolarHBondContact O-CB 3.31Å; A42-F46 PolarHBondContact O-N 2.83Å; W43-F46 HydrophobicContact CE3-CD1 4.49Å; W43-F46 WeakPolarHBondContact O-CB 2.93Å; W43-F46 PolarHBondContact O-N 2.81Å; F46-T50 VanDerWaalsContact O-CB 3.26Å; F46-T50 WeakPolarHBondContact O-CB 3.37Å; F46-T50 PolarHBondContact O-N 2.91Å; F46-T50 PolarHBondContact O-OG1 3.42Å; F46-F60 HydrophobicContact CZ-CD1 4.34Å; F46-F60 HydrophobicContact CZ-CE1 4.05Å; F46-F60 HydrophobicContact CZ-CZ 4.3Å; F46-W62 HydrophobicContact CD1-CZ2 4.49Å; F46-W62 HydrophobicContact CD2-CZ2 4.44Å; F46-W62 AromaticContact CE1-CZ2 3.84Å; F46-W62 HydrophobicContact CE1-CZ2 3.84Å; F46-W62 AromaticContact CE2-CH2 3.69Å; F46-W62 HydrophobicContact CE2-CH2 3.69Å; F46-W62 AromaticContact CE2-CZ2 3.71Å; F46-W62 HydrophobicContact CE2-CZ2 3.71Å; F46-W62 AromaticContact CZ-CH2 3.78Å; F46-W62 HydrophobicContact CZ-CH2 3.78Å; F46-W62 AromaticContact CZ-CZ2 3.39Å; F46-W62 HydrophobicContact CZ-CZ2 3.39Å
47Y93.5Very high88.1Confident9 Ų955.3 Ų55.34%0.03530%0.301CS..Hα-helixtrans-70.5-35.1-179-66.7-59000112.5W43 R45 S51 G95 T96 S119 A122W43-Y47 HydrophobicContact CB-CD2 4.37Å; W43-Y47 HydrophobicContact CB-CE2 4.12Å; W43-Y47 HydrophobicContact CE3-CE2 4.03Å; W43-Y47 WeakPolarHBondContact O-CD2 3.27Å; W43-Y47 PolarHBondContact O-N 2.94Å; R45-Y47 PolarHBondContact O-N 3.15Å; Y47-S51 VanDerWaalsContact O-CB 3.24Å; Y47-S51 WeakPolarHBondContact O-CB 3.36Å; Y47-S51 PolarHBondContact O-N 2.96Å; Y47-S51 PolarHBondContact O-OG 3.26Å; Y47-G95 WeakPolarHBondContact OH-CA 3.49Å; Y47-T96 HydrophobicContact CD1-CG2 3.89Å; Y47-T96 HydrophobicContact CE1-CG2 3.96Å; Y47-S119 WeakPolarHBondContact CD2-OG 3.4Å; Y47-A122 HydrophobicContact CD1-CB 4.3Å; Y47-A122 HydrophobicContact CD2-CB 3.62Å; Y47-A122 HydrophobicContact CE1-CB 4.31Å; Y47-A122 HydrophobicContact CE2-CB 3.61Å; Y47-A122 HydrophobicContact CG-CB 3.98Å
48S92.7Very high87.9Confident52 Ų5262.4 Ų62.436%0.36433%0.332SS..Hα-helixtrans-65-47.8175.8-60.50000111.5D44 R45 S51 S52D44-S48 VanDerWaalsContact O-CB 3.27Å; D44-S48 WeakPolarHBondContact O-CB 3.21Å; D44-S48 PolarHBondContact O-N 3.3Å; D44-S48 PolarHBondContact O-OG 3.49Å; R45-S48 PolarHBondContact O-N 2.88Å; S48-S51 PolarHBondContact O-OG 2.95Å; S48-S51 VanDerWaalsContact O-OG 3.11Å; S48-S52 PolarHBondContact O-N 2.84Å; S48-S52 VanDerWaalsContact O-N 3.16Å; S48-S52 PolarHBondContact O-OG 2.84Å
49E88.9Confident87.8Confident41 Ų4164.4 Ų64.419%0.19234%0.343CS..Hα-helixtrans-70-39.3179.9-68.2-163.7-141.800111.8M29 R45 S52 R53M29-E49 HydrophobicContact CE-CB 3.58Å; M29-E49 HydrophobicContact CE-CG 4.2Å; M29-E49 WeakPolarHBondContact CE-OE2 3.31Å; M29-E49 HydrophobicContact SD-CB 3.98Å; R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 WeakPolarHBondContact CG-OE1 3.43Å; R45-E49 IonicContact CZ-OE1 2.69Å; R45-E49 IonicContact NE-OE1 2.71Å; R45-E49 PolarHBondContact NE-OE1 2.82Å; R45-E49 IonicContact NH2-OE1 3.67Å; R45-E49 PolarHBondContact NH2-OE1 3.22Å; R45-E49 WeakPolarHBondContact O-CB 3.5Å; R45-E49 WeakPolarHBondContact O-CG 3.38Å; R45-E49 PolarHBondContact O-N 3Å; E49-S52 PolarHBondContact O-N 2.92Å; E49-S52 PolarHBondContact O-OG 2.98Å; E49-R53 WeakPolarHBondContact O-CG 3.27Å
50T84Confident87.5Confident39 Ų3962.3 Ų62.324%0.23933%0.334CS..Hα-helixtrans-68.9-40.5-180-55.30000111.6F46 R53F46-T50 VanDerWaalsContact O-CB 3.26Å; F46-T50 WeakPolarHBondContact O-CB 3.37Å; F46-T50 PolarHBondContact O-N 2.91Å; F46-T50 PolarHBondContact O-OG1 3.42Å; T50-R53 PolarHBondContact O-N 3.45Å
51S84.9Confident87.1Confident38 Ų3861 Ų6127%0.26633%0.329SS..Hα-helixtrans-69-33.5178.158.70000113.3Y47 S48 R53Y47-S51 VanDerWaalsContact O-CB 3.24Å; Y47-S51 WeakPolarHBondContact O-CB 3.36Å; Y47-S51 PolarHBondContact O-N 2.96Å; Y47-S51 PolarHBondContact O-OG 3.26Å; S48-S51 PolarHBondContact O-OG 2.95Å; S48-S51 VanDerWaalsContact O-OG 3.11Å; S51-R53 PolarHBondContact O-N 3.49Å
52S81.3Confident86.6Confident97 Ų9758.9 Ų58.968%0.67831%0.307SS*.Hα-helixtrans-69.1-16.4177.765.60000114.4S48 E49S48-S52 PolarHBondContact O-N 2.84Å; S48-S52 VanDerWaalsContact O-N 3.16Å; S48-S52 PolarHBondContact O-OG 2.84Å; E49-S52 PolarHBondContact O-N 2.92Å; E49-S52 PolarHBondContact O-OG 2.98Å
53R77.1Confident86.1Confident100 Ų10058.8 Ų58.838%0.37731%0.305SS..THydrogen-bonded Turntrans-85.1-18.3-175.8-72.1178.972.2-175.8-2.8114.6T21 W24 E49 T50 S51T21-R53 PolarHBondContact O-NH2 3.15Å; W24-R53 PolarHBondContact O-NH1 3.23Å; E49-R53 WeakPolarHBondContact O-CG 3.27Å; T50-R53 PolarHBondContact O-N 3.45Å; S51-R53 PolarHBondContact O-N 3.49Å
54S73.4Confident85.7Confident48 Ų4858 Ų5834%0.33630%0.303SS..  trans-126.6125.8178.4177.20000109.2N56S54-N56 WeakPolarHBondContact CB-O 3.23Å; S54-N56 PolarHBondContact O-N 3.45Å; S54-N56 PolarHBondContact OG-N 3.49Å; S54-N56 PolarHBondContact OG-O 3.39Å
55P74.8Confident85.5Confident132 Ų13257.8 Ų57.886%0.85731%0.308SS*.SBendtrans-64.4-21.817728-34.3000112
56N80.3Confident85.5Confident117 Ų11752.9 Ų52.963%0.62629%0.29SS*.SBendtrans-107.7121.3175.8-64.9-32.2000109.6S54 K58S54-N56 WeakPolarHBondContact CB-O 3.23Å; S54-N56 PolarHBondContact O-N 3.45Å; S54-N56 PolarHBondContact OG-N 3.49Å; S54-N56 PolarHBondContact OG-O 3.39Å; N56-K58 PolarHBondContact O-N 3.1Å
57F84.8Confident85.5Confident59 Ų5959.1 Ų59.126%0.25932%0.324SS..  trans-60135.5171.6177.1-89.7000110.4T96 L125 M126 H129F57-T96 HydrophobicContact CE2-CG2 3.91Å; F57-T96 HydrophobicContact CZ-CG2 4.05Å; F57-L125 HydrophobicContact CD2-CB 4.11Å; F57-L125 HydrophobicContact CD2-CD2 4.29Å; F57-L125 HydrophobicContact CE2-CB 3.69Å; F57-L125 HydrophobicContact CE2-CD1 4.36Å; F57-L125 HydrophobicContact CE2-CG 4.45Å; F57-M126 HydrophobicContact CE1-SD 4.08Å; F57-M126 HydrophobicContact CZ-SD 3.62Å; F57-H129 HydrophobicContact CD1-CB 3.62Å; F57-H129 AromaticContact CD1-CG 3.39Å; F57-H129 AromaticContact CD1-ND1 3.38Å; F57-H129 WeakPolarHBondContact CD1-ND1 3.33Å; F57-H129 HydrophobicContact CE1-CB 3.7Å; F57-H129 AromaticContact CE1-CD2 3.84Å; F57-H129 AromaticContact CE1-CG 3.53Å; F57-H129 AromaticContact CE1-ND1 3.95Å; F57-H129 HydrophobicContact CG-CB 4.32Å; F57-H129 HydrophobicContact CZ-CB 4.47Å
58K86.1Confident85.5Confident162 Ų16260.4 Ų60.470%0.70434%0.336SS*.  trans-132.9140.1170.1-66.9-175.7-179.8179.90108.1N56N56-K58 PolarHBondContact O-N 3.1Å
59N87.6Confident85.6Confident56 Ų5658 Ų5830%0.29932%0.319SS..  trans-59.4142.8172.1-64.799.3000110.7T96 A98 M126N59-T96 VanDerWaalsContact CA-O 3.23Å; N59-T96 WeakPolarHBondContact CA-O 3.33Å; N59-T96 VanDerWaalsContact CB-O 3.26Å; N59-T96 WeakPolarHBondContact CB-O 3.41Å; N59-T96 PolarHBondContact ND2-O 3.32Å; N59-A98 HydrophobicContact CB-CB 4.15Å; N59-M126 PolarHBondContact ND2-SD 2.84Å
60F87Confident85.9Confident24 Ų2459.2 Ų59.211%0.10533%0.325CS..  trans-114.8132.4178-177.5-91.5000110W24 F46 W62 T96W24-F60 HydrophobicContact CE3-CE2 4.09Å; W24-F60 HydrophobicContact CE3-CZ 4.11Å; W24-F60 AromaticContact CH2-CZ 3.84Å; W24-F60 HydrophobicContact CH2-CZ 3.84Å; W24-F60 AromaticContact CZ3-CE2 3.9Å; W24-F60 HydrophobicContact CZ3-CE2 3.9Å; W24-F60 AromaticContact CZ3-CZ 3.5Å; W24-F60 HydrophobicContact CZ3-CZ 3.5Å; F46-F60 HydrophobicContact CZ-CD1 4.34Å; F46-F60 HydrophobicContact CZ-CE1 4.05Å; F46-F60 HydrophobicContact CZ-CZ 4.3Å; F60-W62 HydrophobicContact CD1-CD2 4.45Å; F60-W62 HydrophobicContact CD1-CG 4.47Å; F60-W62 AromaticContact CE1-CD2 3.6Å; F60-W62 HydrophobicContact CE1-CD2 3.6Å; F60-W62 AromaticContact CE1-CE2 3.61Å; F60-W62 AromaticContact CE1-CE3 3.94Å; F60-W62 HydrophobicContact CE1-CE3 3.94Å; F60-W62 AromaticContact CE1-CG 3.96Å; F60-W62 HydrophobicContact CE1-CG 3.96Å; F60-W62 HydrophobicContact CE1-CH2 4.28Å; F60-W62 AromaticContact CE1-CZ2 3.95Å; F60-W62 HydrophobicContact CE1-CZ2 3.95Å; F60-W62 HydrophobicContact CE1-CZ3 4.27Å; F60-W62 AromaticContact CE1-NE1 3.97Å; F60-W62 HydrophobicContact CZ-CD2 4.48Å; F60-W62 HydrophobicContact CZ-CE3 4.41Å; F60-W62 HydrophobicContact CZ-CZ3 4.48Å; F60-T96 PolarHBondContact N-O 2.91Å
61E87.3Confident86.4Confident40 Ų4063.9 Ų63.919%0.18735%0.348CS..  trans-119115.2-177.9-61.1-60.4165.100110.3F64 S97 A98 K169E61-F64 VanDerWaalsContact OE2-O 3.14Å; E61-S97 WeakPolarHBondContact OE1-CA 3.43Å; E61-S97 PolarHBondContact OE1-OG 3.38Å; E61-S97 WeakPolarHBondContact OE2-CB 3.19Å; E61-S97 PolarHBondContact OE2-OG 3.38Å; E61-A98 PolarHBondContact OE1-N 3.39Å; E61-K169 IonicContact OE2-NZ 2.74Å; E61-K169 PolarHBondContact OE2-NZ 3.19Å
62W85.4Confident87Confident40 Ų4063.9 Ų63.915%0.15234%0.344CS..SBendtrans-66-53.3178.4-77.7106.7000112.9F6 W24 L30 L33 W43 F46 F60F6-W62 HydrophobicContact CE1-CZ3 4.15Å; F6-W62 HydrophobicContact CE2-CE3 4.21Å; F6-W62 AromaticContact CZ-CE3 3.62Å; F6-W62 HydrophobicContact CZ-CE3 3.62Å; F6-W62 AromaticContact CZ-CZ3 3.54Å; F6-W62 HydrophobicContact CZ-CZ3 3.54Å; W24-W62 HydrophobicContact CH2-CE3 4.35Å; W24-W62 AromaticContact CH2-CZ3 3.98Å; W24-W62 HydrophobicContact CH2-CZ3 3.98Å; W24-W62 HydrophobicContact CZ2-CZ3 4.29Å; L30-W62 HydrophobicContact CD1-CH2 4.09Å; L30-W62 HydrophobicContact CD1-CZ3 4.14Å; L33-W62 HydrophobicContact CD2-CH2 3.7Å; L33-W62 HydrophobicContact CD2-CZ2 3.87Å; W43-W62 AromaticContact CH2-CZ2 4Å; W43-W62 HydrophobicContact CH2-CZ2 4Å; W43-W62 AromaticContact CZ3-CE2 3.82Å; W43-W62 AromaticContact CZ3-CZ2 3.55Å; W43-W62 HydrophobicContact CZ3-CZ2 3.55Å; W43-W62 AromaticContact CZ3-NE1 3.73Å; F46-W62 HydrophobicContact CD1-CZ2 4.49Å; F46-W62 HydrophobicContact CD2-CZ2 4.44Å; F46-W62 AromaticContact CE1-CZ2 3.84Å; F46-W62 HydrophobicContact CE1-CZ2 3.84Å; F46-W62 AromaticContact CE2-CH2 3.69Å; F46-W62 HydrophobicContact CE2-CH2 3.69Å; F46-W62 AromaticContact CE2-CZ2 3.71Å; F46-W62 HydrophobicContact CE2-CZ2 3.71Å; F46-W62 AromaticContact CZ-CH2 3.78Å; F46-W62 HydrophobicContact CZ-CH2 3.78Å; F46-W62 AromaticContact CZ-CZ2 3.39Å; F46-W62 HydrophobicContact CZ-CZ2 3.39Å; F60-W62 HydrophobicContact CD1-CD2 4.45Å; F60-W62 HydrophobicContact CD1-CG 4.47Å; F60-W62 AromaticContact CE1-CD2 3.6Å; F60-W62 HydrophobicContact CE1-CD2 3.6Å; F60-W62 AromaticContact CE1-CE2 3.61Å; F60-W62 AromaticContact CE1-CE3 3.94Å; F60-W62 HydrophobicContact CE1-CE3 3.94Å; F60-W62 AromaticContact CE1-CG 3.96Å; F60-W62 HydrophobicContact CE1-CG 3.96Å; F60-W62 HydrophobicContact CE1-CH2 4.28Å; F60-W62 AromaticContact CE1-CZ2 3.95Å; F60-W62 HydrophobicContact CE1-CZ2 3.95Å; F60-W62 HydrophobicContact CE1-CZ3 4.27Å; F60-W62 AromaticContact CE1-NE1 3.97Å; F60-W62 HydrophobicContact CZ-CD2 4.48Å; F60-W62 HydrophobicContact CZ-CE3 4.41Å; F60-W62 HydrophobicContact CZ-CZ3 4.48Å
63F82.3Confident87.7Confident7 Ų759.3 Ų59.33%0.03131%0.311CS..SBendtrans-98.7-70.1178.2-58.3-23.9000110.2F6 K169 F205 Y244F6-F63 HydrophobicContact CE2-CE1 4.4Å; F63-K169 HydrophobicContact CD2-CG 4.03Å; F63-F205 WeakPolarHBondContact CE2-O 3.34Å; F63-Y244 HydrophobicContact CB-CD1 4.24Å; F63-Y244 HydrophobicContact CB-CE1 3.57Å; F63-Y244 AromaticContact CD1-CE1 3.65Å; F63-Y244 HydrophobicContact CD1-CE1 3.65Å; F63-Y244 HydrophobicContact CD2-CD1 4.24Å; F63-Y244 AromaticContact CD2-CE1 3.88Å; F63-Y244 HydrophobicContact CD2-CE1 3.88Å; F63-Y244 HydrophobicContact CE1-CE1 4.27Å; F63-Y244 HydrophobicContact CE2-CE1 4.46Å; F63-Y244 HydrophobicContact CG-CD1 4.18Å; F63-Y244 AromaticContact CG-CE1 3.43Å; F63-Y244 HydrophobicContact CG-CE1 3.43Å; F63-Y244 VanDerWaalsContact CG-CE1 3.43Å
64F87.3Confident88.5Confident11 Ų1156.1 Ų56.15%0.04830%0.303CS..  trans-153.5165.1-174.747.4-107.6000110.9E61 A68 V69 K169 F205 L239 Y244E61-F64 VanDerWaalsContact OE2-O 3.14Å; F64-A68 HydrophobicContact CB-CB 3.91Å; F64-A68 HydrophobicContact CD2-CB 3.99Å; F64-A68 HydrophobicContact CG-CB 3.97Å; F64-V69 HydrophobicContact CD2-CG1 3.88Å; F64-V69 HydrophobicContact CD2-CG2 4.24Å; F64-V69 HydrophobicContact CE1-CG1 4.47Å; F64-V69 HydrophobicContact CE2-CB 4.07Å; F64-V69 HydrophobicContact CE2-CG1 3.12Å; F64-V69 HydrophobicContact CE2-CG2 3.8Å; F64-V69 HydrophobicContact CZ-CG1 3.42Å; F64-V69 VanDerWaalsContact CZ-CG1 3.42Å; F64-K169 HydrophobicContact CD2-CD 3.9Å; F64-K169 HydrophobicContact CE2-CD 3.57Å; F64-K169 HydrophobicContact CE2-CG 4.32Å; F64-K169 HydrophobicContact CZ-CD 4.33Å; F64-K169 WeakPolarHBondContact O-CE 3.42Å; F64-K169 PolarHBondContact O-NZ 2.94Å; F64-F205 HydrophobicContact CE2-CB 4.3Å; F64-F205 HydrophobicContact CE2-CD1 4.4Å; F64-F205 HydrophobicContact CE2-CG 4.27Å; F64-F205 HydrophobicContact CZ-CB 3.66Å; F64-F205 AromaticContact CZ-CD1 3.85Å; F64-F205 HydrophobicContact CZ-CD1 3.85Å; F64-F205 AromaticContact CZ-CG 3.87Å; F64-F205 HydrophobicContact CZ-CG 3.87Å; F64-L239 HydrophobicContact CB-CD1 3.76Å; F64-L239 HydrophobicContact CD1-CD1 3.52Å; F64-L239 HydrophobicContact CE1-CD1 4.34Å; F64-L239 HydrophobicContact CG-CD1 3.87Å; F64-Y244 HydrophobicContact CD1-CD1 4.27Å; F64-Y244 HydrophobicContact CD1-CD2 4.16Å; F64-Y244 HydrophobicContact CD1-CE2 4.42Å; F64-Y244 HydrophobicContact CD1-CG 4.07Å; F64-Y244 AromaticContact CE1-CD1 3.83Å; F64-Y244 HydrophobicContact CE1-CD1 3.83Å; F64-Y244 HydrophobicContact CE1-CD2 4.27Å; F64-Y244 HydrophobicContact CE1-CE1 4.45Å; F64-Y244 AromaticContact CE1-CG 3.73Å; F64-Y244 HydrophobicContact CE1-CG 3.73Å
65G90.6Very high89.4Confident28 Ų2856.9 Ų56.929%0.28931%0.307SS..  trans-88.6175.8172.900000112.8D67 A68G65-D67 VanDerWaalsContact C-N 3.29Å; G65-D67 PolarHBondContact O-N 2.97Å; G65-A68 PolarHBondContact O-N 3.36Å
66F93.4Very high90.2Very high8 Ų852.3 Ų52.34%0.03527%0.274CS..G310 helixtrans-55.8-37.2-173.9179.6-113.5000114.4A68 V69 Q70 I73 L99 I103 D106F66-A68 PolarHBondContact O-N 2.98Å; F66-V69 CarbonylContact O-C 3.54Å; F66-V69 PolarHBondContact O-N 2.89Å; F66-Q70 HydrophobicContact CD1-CB 4.23Å; F66-Q70 HydrophobicContact CE1-CB 3.82Å; F66-Q70 HydrophobicContact CE1-CG 3.68Å; F66-Q70 HydrophobicContact CE2-CB 4.27Å; F66-Q70 HydrophobicContact CZ-CB 3.85Å; F66-Q70 HydrophobicContact CZ-CG 3.68Å; F66-Q70 PolarHBondContact O-N 3.14Å; F66-I73 HydrophobicContact CD2-CD1 4.2Å; F66-I73 HydrophobicContact CE2-CD1 3.99Å; F66-L99 HydrophobicContact CB-CD1 4.14Å; F66-L99 HydrophobicContact CD2-CD1 3.81Å; F66-L99 HydrophobicContact CG-CD1 4.48Å; F66-I103 HydrophobicContact CD2-CG1 4.17Å; F66-I103 HydrophobicContact CE2-CG1 3.67Å; F66-I103 HydrophobicContact CZ-CG1 4.42Å; F66-D106 HydrophobicContact CE1-CB 4.19Å; F66-D106 WeakPolarHBondContact CE1-OD2 3.49Å
67D93Very high90.6Very high134 Ų13447.3 Ų47.372%0.71725%0.247SC*.G310 helixtrans-56.4-29.7-177.8-58.6-16.8000113.1G65 V69G65-D67 VanDerWaalsContact C-N 3.29Å; G65-D67 PolarHBondContact O-N 2.97Å; D67-V69 VanDerWaalsContact C-N 3.29Å; D67-V69 PolarHBondContact O-N 3.33Å
68A92.6Very high90.5Very high36 Ų3649.9 Ų49.930%0.29826%0.259SS..G310 helixtrans-73.6-19.7178.400000113.6F64 G65 F66 L239F64-A68 HydrophobicContact CB-CB 3.91Å; F64-A68 HydrophobicContact CD2-CB 3.99Å; F64-A68 HydrophobicContact CG-CB 3.97Å; G65-A68 PolarHBondContact O-N 3.36Å; F66-A68 PolarHBondContact O-N 2.98Å; A68-L239 HydrophobicContact CB-CD1 3.94Å
69V95.3Very high89.6Confident0 Ų046.5 Ų46.50%025%0.252CS..THydrogen-bonded Turntrans-130.84.4-170.8-68.70000114.6F64 F66 D67 D71 F72 I73 L99 F205 V236F64-V69 HydrophobicContact CD2-CG1 3.88Å; F64-V69 HydrophobicContact CD2-CG2 4.24Å; F64-V69 HydrophobicContact CE1-CG1 4.47Å; F64-V69 HydrophobicContact CE2-CB 4.07Å; F64-V69 HydrophobicContact CE2-CG1 3.12Å; F64-V69 HydrophobicContact CE2-CG2 3.8Å; F64-V69 HydrophobicContact CZ-CG1 3.42Å; F64-V69 VanDerWaalsContact CZ-CG1 3.42Å; F66-V69 CarbonylContact O-C 3.54Å; F66-V69 PolarHBondContact O-N 2.89Å; D67-V69 VanDerWaalsContact C-N 3.29Å; D67-V69 PolarHBondContact O-N 3.33Å; V69-D71 PolarHBondContact O-N 3.4Å; V69-F72 HydrophobicContact CB-CD2 4.46Å; V69-F72 HydrophobicContact CG1-CD2 4.49Å; V69-F72 WeakPolarHBondContact O-CB 3.49Å; V69-F72 PolarHBondContact O-N 3.39Å; V69-I73 HydrophobicContact CB-CD1 4.43Å; V69-I73 HydrophobicContact CG2-CD1 3.94Å; V69-I73 PolarHBondContact O-N 3.49Å; V69-I73 VanDerWaalsContact O-N 3.15Å; V69-L99 HydrophobicContact CG2-CD1 3.88Å; V69-F205 HydrophobicContact CB-CD1 4.37Å; V69-F205 HydrophobicContact CB-CE1 3.72Å; V69-F205 HydrophobicContact CB-CE2 4.3Å; V69-F205 HydrophobicContact CB-CZ 3.68Å; V69-F205 HydrophobicContact CG1-CD1 3.59Å; V69-F205 HydrophobicContact CG1-CE1 3.32Å; V69-F205 HydrophobicContact CG1-CE2 4.48Å; V69-F205 HydrophobicContact CG1-CG 4.27Å; V69-F205 HydrophobicContact CG1-CZ 3.82Å; V69-F205 HydrophobicContact CG2-CE2 4.48Å; V69-F205 HydrophobicContact CG2-CZ 4.33Å; V69-V236 HydrophobicContact CG1-CG1 3.97Å; V69-V236 HydrophobicContact CG1-CG2 4.47Å
70Q95.5Very high88.2Confident68 Ų6844.1 Ų44.132%0.31824%0.241SC..Hα-helixtrans-54.5-41.6179.5176.3174.5-8.500111.9F66 F72 I73 T74F66-Q70 HydrophobicContact CD1-CB 4.23Å; F66-Q70 HydrophobicContact CE1-CB 3.82Å; F66-Q70 HydrophobicContact CE1-CG 3.68Å; F66-Q70 HydrophobicContact CE2-CB 4.27Å; F66-Q70 HydrophobicContact CZ-CB 3.85Å; F66-Q70 HydrophobicContact CZ-CG 3.68Å; F66-Q70 PolarHBondContact O-N 3.14Å; Q70-F72 VanDerWaalsContact C-N 3.28Å; Q70-F72 PolarHBondContact O-N 3.24Å; Q70-I73 PolarHBondContact O-N 2.81Å; Q70-T74 VanDerWaalsContact O-CB 3.26Å; Q70-T74 WeakPolarHBondContact O-CB 3.41Å; Q70-T74 PolarHBondContact O-N 2.86Å; Q70-T74 PolarHBondContact O-OG1 2.76Å
71D95.1Very high86.6Confident137 Ų13746.9 Ų46.973%0.73326%0.263SS*.Hα-helixtrans-70.3-23.7-178.4-68.9-23.7000113.2V69 P75V69-D71 PolarHBondContact O-N 3.4Å; D71-P75 WeakPolarHBondContact O-CD 3.41Å; D71-P75 WeakPolarHBondContact O-CG 3.35Å
72F96.2Very high85.3Confident38 Ų3853 Ų5317%0.16730%0.296CS..Hα-helixtrans-78.2-36.7173.2-64.9-92.8000111.4V69 Q70 F76 F205 Q234 V236 C246V69-F72 HydrophobicContact CB-CD2 4.46Å; V69-F72 HydrophobicContact CG1-CD2 4.49Å; V69-F72 WeakPolarHBondContact O-CB 3.49Å; V69-F72 PolarHBondContact O-N 3.39Å; Q70-F72 VanDerWaalsContact C-N 3.28Å; Q70-F72 PolarHBondContact O-N 3.24Å; F72-F76 WeakPolarHBondContact O-CD2 3.4Å; F72-F76 WeakPolarHBondContact O-CE2 3.48Å; F72-F205 HydrophobicContact CB-CE1 4.08Å; F72-F205 HydrophobicContact CB-CZ 3.93Å; F72-F205 HydrophobicContact CG-CE1 4.22Å; F72-Q234 HydrophobicContact CE1-CB 3.8Å; F72-V236 HydrophobicContact CE1-CG2 4.44Å; F72-V236 HydrophobicContact CE2-CB 4.37Å; F72-V236 HydrophobicContact CE2-CG1 4.24Å; F72-V236 HydrophobicContact CE2-CG2 4.11Å; F72-V236 HydrophobicContact CZ-CB 4.37Å; F72-V236 HydrophobicContact CZ-CG2 4.04Å; F72-C246 HydrophobicContact CD1-CB 3.77Å; F72-C246 HydrophobicContact CE1-CB 4.05Å; F72-C246 HydrophobicContact CG-CB 4.41Å
73I96.1Very high84.4Confident0 Ų053.2 Ų53.20%030%0.304CS..Hα-helixtrans-82.9-41.6-175.3-66.9166.1000111.5F66 V69 Q70 P75 F76 L77 L99 I103 L165 V167 L203 F205F66-I73 HydrophobicContact CD2-CD1 4.2Å; F66-I73 HydrophobicContact CE2-CD1 3.99Å; V69-I73 HydrophobicContact CB-CD1 4.43Å; V69-I73 HydrophobicContact CG2-CD1 3.94Å; V69-I73 PolarHBondContact O-N 3.49Å; V69-I73 VanDerWaalsContact O-N 3.15Å; Q70-I73 PolarHBondContact O-N 2.81Å; I73-P75 VanDerWaalsContact C-CD 3.44Å; I73-F76 PolarHBondContact O-N 2.94Å; I73-F76 VanDerWaalsContact O-N 3.1Å; I73-L77 HydrophobicContact CG2-CD1 3.8Å; I73-L77 HydrophobicContact CG2-CG 4.1Å; I73-L99 HydrophobicContact CD1-CD1 4.17Å; I73-I103 HydrophobicContact CD1-CD1 4.23Å; I73-I103 HydrophobicContact CG2-CD1 4.19Å; I73-I103 HydrophobicContact CG2-CG1 4.17Å; I73-L165 HydrophobicContact CG2-CD2 4.08Å; I73-V167 HydrophobicContact CD1-CG1 4.41Å; I73-L203 HydrophobicContact CG1-CD1 4.19Å; I73-F205 HydrophobicContact CD1-CE2 4.2Å; I73-F205 HydrophobicContact CD1-CZ 4.43Å; I73-F205 HydrophobicContact CG1-CE2 4.23Å; I73-F205 HydrophobicContact CG1-CZ 4.17Å
74T93.6Very high84.1Confident34 Ų3465.6 Ų65.621%0.20935%0.35CS..Hα-helixtrans-54-42-171.9-62.90000114.4Q70 F76 L77 Q78Q70-T74 VanDerWaalsContact O-CB 3.26Å; Q70-T74 WeakPolarHBondContact O-CB 3.41Å; Q70-T74 PolarHBondContact O-N 2.86Å; Q70-T74 PolarHBondContact O-OG1 2.76Å; T74-F76 VanDerWaalsContact C-N 3.26Å; T74-F76 PolarHBondContact O-N 2.84Å; T74-L77 WeakPolarHBondContact O-CB 3.38Å; T74-L77 PolarHBondContact O-N 3.31Å; T74-Q78 HydrophobicContact CG2-CG 4.25Å; T74-Q78 VanDerWaalsContact CG2-NE2 3.34Å; T74-Q78 WeakPolarHBondContact O-CG 3.2Å; T74-Q78 PolarHBondContact O-N 2.96Å
75P92.5Very high84.1Confident63 Ų6370.1 Ų70.141%0.40937%0.367SS..Hα-helixtrans-56.7-37.8178.4-27.236.3000113.6D71 I73 L77 Q78 T79D71-P75 WeakPolarHBondContact O-CD 3.41Å; D71-P75 WeakPolarHBondContact O-CG 3.35Å; I73-P75 VanDerWaalsContact C-CD 3.44Å; P75-L77 VanDerWaalsContact C-N 3.27Å; P75-L77 PolarHBondContact O-N 2.85Å; P75-Q78 PolarHBondContact O-N 3.16Å; P75-T79 VanDerWaalsContact O-CG2 3.31Å; P75-T79 WeakPolarHBondContact O-CG2 3.43Å; P75-T79 PolarHBondContact O-N 3.13Å
76F91.4Very high84.2Confident37 Ų3770.5 Ų70.516%0.16237%0.365CS..Hα-helixtrans-72.7-21.7179.4-61.2-86.6000113.2F72 I73 T74 T79 L165 S201 L203 Q248F72-F76 WeakPolarHBondContact O-CD2 3.4Å; F72-F76 WeakPolarHBondContact O-CE2 3.48Å; I73-F76 PolarHBondContact O-N 2.94Å; I73-F76 VanDerWaalsContact O-N 3.1Å; T74-F76 VanDerWaalsContact C-N 3.26Å; T74-F76 PolarHBondContact O-N 2.84Å; F76-T79 PolarHBondContact O-OG1 2.98Å; F76-L165 HydrophobicContact CB-CD1 4.08Å; F76-L165 HydrophobicContact CB-CD2 4.09Å; F76-L165 HydrophobicContact CG-CD1 4.17Å; F76-S201 WeakPolarHBondContact CE1-OG 3.31Å; F76-L203 HydrophobicContact CD2-CD1 3.8Å; F76-L203 HydrophobicContact CE2-CD1 3.8Å; F76-L203 HydrophobicContact CE2-CD2 3.84Å; F76-L203 HydrophobicContact CE2-CG 4.33Å; F76-L203 HydrophobicContact CZ-CD2 3.86Å; F76-Q248 HydrophobicContact CZ-CG 4.2Å
77L90.3Very high84.3Confident11 Ų1170.2 Ų70.26%0.05836%0.363CS..Hα-helixtrans-83.6-22.6176-54.3177.6000111.9I73 T74 P75 V87 V89 I103 S107 L109 V111 L165I73-L77 HydrophobicContact CG2-CD1 3.8Å; I73-L77 HydrophobicContact CG2-CG 4.1Å; T74-L77 WeakPolarHBondContact O-CB 3.38Å; T74-L77 PolarHBondContact O-N 3.31Å; P75-L77 VanDerWaalsContact C-N 3.27Å; P75-L77 PolarHBondContact O-N 2.85Å; L77-V87 HydrophobicContact CD2-CG1 4.45Å; L77-V89 HydrophobicContact CD2-CG2 3.74Å; L77-I103 HydrophobicContact CD1-CG2 3.98Å; L77-I103 HydrophobicContact CD2-CG2 4.33Å; L77-S107 WeakPolarHBondContact CD1-OG 3.24Å; L77-L109 WeakPolarHBondContact O-CD1 3.37Å; L77-V111 HydrophobicContact CD2-CG1 4.35Å; L77-L165 HydrophobicContact CD2-CD2 3.92Å
78Q82.3Confident84.5Confident113 Ų11365.2 Ų65.253%0.52834%0.336SS..Hα-helixtrans-89.5-30.9-177.2-69.5177.3-7.700113.7T74 P75 A80 S81T74-Q78 HydrophobicContact CG2-CG 4.25Å; T74-Q78 VanDerWaalsContact CG2-NE2 3.34Å; T74-Q78 WeakPolarHBondContact O-CG 3.2Å; T74-Q78 PolarHBondContact O-N 2.96Å; P75-Q78 PolarHBondContact O-N 3.16Å; Q78-A80 PolarHBondContact O-N 3.08Å; Q78-A80 VanDerWaalsContact O-N 3.15Å; Q78-S81 WeakPolarHBondContact O-CB 3.29Å; Q78-S81 PolarHBondContact O-N 2.67Å; Q78-S81 PolarHBondContact O-OG 3.39Å
79T66.8Low84.7Confident91 Ų9163.5 Ų63.556%0.55832%0.322SS*.G310 helixtrans-64.5-17.9-179.753.30000113.4P75 F76 S81P75-T79 VanDerWaalsContact O-CG2 3.31Å; P75-T79 WeakPolarHBondContact O-CG2 3.43Å; P75-T79 PolarHBondContact O-N 3.13Å; F76-T79 PolarHBondContact O-OG1 2.98Å; T79-S81 VanDerWaalsContact C-N 3.28Å; T79-S81 PolarHBondContact O-N 3.22Å
80A58Low84.9Confident7 Ų763.5 Ų63.56%0.05832%0.322CS..G310 helixtrans-77.6-4.8177.200000115.1Q78 L82 S83 V87Q78-A80 PolarHBondContact O-N 3.08Å; Q78-A80 VanDerWaalsContact O-N 3.15Å; A80-L82 PolarHBondContact O-N 3.48Å; A80-S83 PolarHBondContact O-N 2.84Å; A80-S83 PolarHBondContact O-OG 2.97Å; A80-V87 HydrophobicContact CB-CB 4.37Å; A80-V87 HydrophobicContact CB-CG1 4.46Å; A80-V87 HydrophobicContact CB-CG2 3.24Å
81S54Low85Confident82 Ų8260.4 Ų60.457%0.57331%0.307SS*.G310 helixtrans-54.9-20.4176.857.20000114.1Q78 T79 S83Q78-S81 WeakPolarHBondContact O-CB 3.29Å; Q78-S81 PolarHBondContact O-N 2.67Å; Q78-S81 PolarHBondContact O-OG 3.39Å; T79-S81 VanDerWaalsContact C-N 3.28Å; T79-S81 PolarHBondContact O-N 3.22Å; S81-S83 VanDerWaalsContact C-N 3.32Å
82L60.2Low85.2Confident167 Ų16754 Ų5487%0.87427%0.273SS*.G310 helixtrans-77.4-13.7175.5-59.3177.8000113.6A80A80-L82 PolarHBondContact O-N 3.48Å
83S65.1Low85.3Confident45 Ų4553.3 Ų53.332%0.31528%0.277SS..SBendtrans-109138.6-179.884.70000111.2A80 S81 R85A80-S83 PolarHBondContact O-N 2.84Å; A80-S83 PolarHBondContact O-OG 2.97Å; S81-S83 VanDerWaalsContact C-N 3.32Å; S83-R85 PolarHBondContact O-N 3.48Å; S83-R85 VanDerWaalsContact O-N 3.15Å; S83-R85 PolarHBondContact OG-O 2.86Å
84R76.4Confident85.4Confident267 Ų26753.8 Ų53.8100%1.00828%0.28SS*.SBendtrans-76.58.6178.2-57.6-175.994.9133.43113.6
85R87.4Confident85.6Confident106 Ų10652.3 Ų52.340%0.427%0.271SS..SBendtrans-111.2151.6-177.770.3173.1-171.3141.5-1.6111S83 D164S83-R85 PolarHBondContact O-N 3.48Å; S83-R85 VanDerWaalsContact O-N 3.15Å; S83-R85 PolarHBondContact OG-O 2.86Å; R85-D164 IonicContact CZ-OD1 3.69Å; R85-D164 IonicContact CZ-OD2 2.66Å; R85-D164 IonicContact NH2-OD1 3.88Å; R85-D164 PolarHBondContact NH2-OD1 2.84Å; R85-D164 IonicContact NH2-OD2 3.62Å
86P92.9Very high85.8Confident37 Ų3749.7 Ų49.724%0.2425%0.254CS..  trans-62.5146.2172-20.732.5000112.3Q88 P110P86-Q88 PolarHBondContact O-N 3.22Å; P86-Q88 PolarHBondContact O-NE2 3.23Å; P86-P110 CarbonylContact C-O 3.56Å; P86-P110 WeakPolarHBondContact CA-O 3.26Å; P86-P110 HydrophobicContact CB-CB 3.99Å; P86-P110 HydrophobicContact CG-CB 4.11Å
87V95.3Very high86Confident1 Ų148.3 Ų48.31%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-67.1121.4174-163.90000109.7L77 A80 V89 P110 V111 R112 D164L77-V87 HydrophobicContact CD2-CG1 4.45Å; A80-V87 HydrophobicContact CB-CB 4.37Å; A80-V87 HydrophobicContact CB-CG1 4.46Å; A80-V87 HydrophobicContact CB-CG2 3.24Å; V87-V89 HydrophobicContact CB-CG2 4.39Å; V87-V89 HydrophobicContact CG1-CG2 4.05Å; V87-V89 PolarHBondContact O-N 2.83Å; V87-P110 PolarHBondContact N-O 3.5Å; V87-V111 HydrophobicContact CB-CG1 4.01Å; V87-V111 HydrophobicContact CG2-CG1 4.16Å; V87-V111 CarbonylContact O-C 3.58Å; V87-V111 WeakPolarHBondContact O-CA 3.42Å; V87-R112 PolarHBondContact O-N 3.18Å; V87-D164 VanDerWaalsContact CA-OD2 3.31Å; V87-D164 WeakPolarHBondContact CA-OD2 3.47Å; V87-D164 HydrophobicContact CG1-CB 3.52Å
88Q96.7Very high86.3Confident30 Ų3049 Ų4914%0.1426%0.256CS..EExtended strand (participates in β ladder)trans-82.699.8176.8-53.5-56.8-59.500110.6P86 L163 D164 L165P86-Q88 PolarHBondContact O-N 3.22Å; P86-Q88 PolarHBondContact O-NE2 3.23Å; Q88-L163 HydrophobicContact CB-CD2 4.02Å; Q88-D164 HydrophobicContact CB-CB 4.19Å; Q88-D164 PolarHBondContact N-OD2 3.46Å; Q88-D164 WeakPolarHBondContact O-CA 3.07Å; Q88-D164 VanDerWaalsContact O-CB 3.27Å; Q88-D164 WeakPolarHBondContact O-CB 3.42Å; Q88-D164 PolarHBondContact O-N 3.06Å; Q88-L165 PolarHBondContact O-N 3Å; Q88-L165 VanDerWaalsContact O-N 3.14Å
89V98.2Very high87Confident0 Ų043.6 Ų43.60%023%0.231CC..EExtended strand (participates in β ladder)trans-105.6131.4-178.3-1740000109.8L77 V87 I103 R112 V113 T114 L165 V167L77-V89 HydrophobicContact CD2-CG2 3.74Å; V87-V89 HydrophobicContact CB-CG2 4.39Å; V87-V89 HydrophobicContact CG1-CG2 4.05Å; V87-V89 PolarHBondContact O-N 2.83Å; V89-I103 HydrophobicContact CG1-CD1 4.35Å; V89-I103 HydrophobicContact CG1-CG2 4.42Å; V89-R112 PolarHBondContact N-O 2.77Å; V89-V113 HydrophobicContact CB-CG2 4.32Å; V89-V113 CarbonylContact O-C 3.55Å; V89-V113 WeakPolarHBondContact O-CA 3.4Å; V89-T114 PolarHBondContact O-N 2.85Å; V89-L165 CarbonylContact C-O 3.59Å; V89-L165 WeakPolarHBondContact CA-O 3.24Å; V89-L165 HydrophobicContact CG1-CB 4.39Å; V89-L165 HydrophobicContact CG1-CD2 4.11Å; V89-L165 HydrophobicContact CG1-CG 4.33Å; V89-L165 HydrophobicContact CG2-CB 4.35Å; V89-L165 HydrophobicContact CG2-CD2 4.46Å; V89-V167 HydrophobicContact CG1-CG2 4.47Å
90L98.8Very high88.5Confident0 Ų039.3 Ų39.30%021%0.205CC..EExtended strand (participates in β ladder)trans-110.9117.7170.3175.364.5000109.6M92 T114 A116 L154 Y158 L163 L165 I166 V167L90-M92 HydrophobicContact CD2-CB 4.42Å; L90-M92 HydrophobicContact CG-CB 4.29Å; L90-T114 WeakPolarHBondContact CA-O 3.31Å; L90-T114 HydrophobicContact CD1-CG2 4.24Å; L90-A116 HydrophobicContact CD1-CB 3.64Å; L90-L154 HydrophobicContact CD2-CD2 3.54Å; L90-Y158 HydrophobicContact CD1-CE2 4.41Å; L90-Y158 HydrophobicContact CD2-CE2 4.22Å; L90-L163 HydrophobicContact CB-CD1 3.86Å; L90-L163 HydrophobicContact CB-CD2 4.48Å; L90-L163 HydrophobicContact CD2-CD1 3.74Å; L90-L163 HydrophobicContact CG-CD1 4.44Å; L90-L165 PolarHBondContact N-O 3.28Å; L90-I166 HydrophobicContact CB-CG1 4.22Å; L90-I166 HydrophobicContact CB-CG2 4.48Å; L90-I166 HydrophobicContact CD2-CG1 4.29Å; L90-I166 HydrophobicContact CD2-CG2 4.22Å; L90-I166 HydrophobicContact CG-CG2 4.42Å; L90-I166 CarbonylContact O-C 3.58Å; L90-I166 WeakPolarHBondContact O-CA 3.21Å; L90-V167 PolarHBondContact O-N 3.33Å
91D98.8Very high90.4Very high3 Ų339.4 Ų39.42%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-90.198.1164.6-178.213.9000107.3C94 G100 T114 A116D91-C94 HydrophobicContact CB-CB 4.25Å; D91-C94 WeakPolarHBondContact OD2-CB 3.4Å; D91-G100 WeakPolarHBondContact OD2-CA 3.35Å; D91-G100 PolarHBondContact OD2-N 3.3Å; D91-T114 PolarHBondContact N-O 3.37Å; D91-A116 PolarHBondContact O-N 2.75Å
92M98.4Very high92.5Very high2 Ų235.9 Ų35.91%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-86.4131.1-171.7-178-177.975.900110.4L90 C94 C151 L154 I166 V167 D168 T171 V188L90-M92 HydrophobicContact CD2-CB 4.42Å; L90-M92 HydrophobicContact CG-CB 4.29Å; M92-C94 VanDerWaalsContact C-N 3.31Å; M92-C151 HydrophobicContact CG-CB 3.83Å; M92-C151 HydrophobicContact SD-CB 3.68Å; M92-L154 HydrophobicContact SD-CD1 3.95Å; M92-I166 HydrophobicContact CB-CG2 4.17Å; M92-V167 PolarHBondContact N-O 2.99Å; M92-D168 HydrophobicContact CE-CB 3.77Å; M92-D168 WeakPolarHBondContact CE-OD2 3.23Å; M92-T171 HydrophobicContact CE-CG2 4.33Å; M92-T171 PolarHBondContact O-OG1 2.81Å; M92-V188 HydrophobicContact CE-CG1 3.87Å; M92-V188 HydrophobicContact SD-CG1 3.71Å
93G98.3Very high94.3Very high24 Ų2428 Ų2825%0.24714%0.139CC..THydrogen-bonded Turntrans59.344.3-173.800000111.8G95 A116 T171G93-G95 PolarHBondContact O-N 2.68Å; G93-G95 VanDerWaalsContact O-N 3.14Å; G93-A116 CarbonylContact C-O 3.36Å; G93-A116 VanDerWaalsContact CA-O 3.25Å; G93-A116 WeakPolarHBondContact CA-O 3.27Å; G93-A116 PolarHBondContact N-O 3Å; G93-T171 WeakPolarHBondContact CA-OG1 3.21Å
94C98.3Very high95.9Very high9 Ų927.1 Ų27.16%0.06113%0.129CC..  trans-63-22.1-17067.50000113.6D91 M92 T96 S97 C115 A116D91-C94 HydrophobicContact CB-CB 4.25Å; D91-C94 WeakPolarHBondContact OD2-CB 3.4Å; M92-C94 VanDerWaalsContact C-N 3.31Å; C94-T96 PolarHBondContact O-N 2.8Å; C94-S97 VanDerWaalsContact O-CB 3.28Å; C94-S97 WeakPolarHBondContact O-CB 3.39Å; C94-S97 PolarHBondContact O-N 2.85Å; C94-C115 HydrophobicContact CB-CB 3.96Å; C94-C115 VanDerWaalsContact SG-C 3.56Å; C94-A116 PolarHBondContact N-O 3.13Å
95G97.6Very high96.9Very high3 Ų319 Ų193%0.03110%0.098CC..THydrogen-bonded Turntrans51.8-122.9-17500000112.3Y47 G93 D117Y47-G95 WeakPolarHBondContact OH-CA 3.49Å; G93-G95 PolarHBondContact O-N 2.68Å; G93-G95 VanDerWaalsContact O-N 3.14Å; G95-D117 WeakPolarHBondContact CA-OD2 3.39Å; G95-D117 PolarHBondContact N-OD2 2.88Å
96T96.6Very high97.3Very high9 Ų916.3 Ų16.36%0.0559%0.092CC..THydrogen-bonded Turntrans-116.522.8174.3540000112.1Y47 F57 N59 F60 C94 A122 L125 M126Y47-T96 HydrophobicContact CD1-CG2 3.89Å; Y47-T96 HydrophobicContact CE1-CG2 3.96Å; F57-T96 HydrophobicContact CE2-CG2 3.91Å; F57-T96 HydrophobicContact CZ-CG2 4.05Å; N59-T96 VanDerWaalsContact CA-O 3.23Å; N59-T96 WeakPolarHBondContact CA-O 3.33Å; N59-T96 VanDerWaalsContact CB-O 3.26Å; N59-T96 WeakPolarHBondContact CB-O 3.41Å; N59-T96 PolarHBondContact ND2-O 3.32Å; F60-T96 PolarHBondContact N-O 2.91Å; C94-T96 PolarHBondContact O-N 2.8Å; T96-A122 HydrophobicContact CG2-CB 4.22Å; T96-L125 HydrophobicContact CG2-CB 4.45Å; T96-L125 HydrophobicContact CG2-CD1 4.35Å; T96-M126 HydrophobicContact CG2-CG 4.32Å; T96-M126 HydrophobicContact CG2-SD 4.45Å
97S96.6Very high97.4Very high8 Ų814.8 Ų14.86%0.0568%0.082CC..  trans-66.7151.3177.3-179.80000111.3E61 C94 L99 M126 K169E61-S97 WeakPolarHBondContact OE1-CA 3.43Å; E61-S97 PolarHBondContact OE1-OG 3.38Å; E61-S97 WeakPolarHBondContact OE2-CB 3.19Å; E61-S97 PolarHBondContact OE2-OG 3.38Å; C94-S97 VanDerWaalsContact O-CB 3.28Å; C94-S97 WeakPolarHBondContact O-CB 3.39Å; C94-S97 PolarHBondContact O-N 2.85Å; S97-L99 WeakPolarHBondContact OG-CB 3.41Å; S97-L99 PolarHBondContact OG-N 3.07Å; S97-L99 VanDerWaalsContact OG-N 3.09Å; S97-M126 VanDerWaalsContact O-CE 3.24Å; S97-M126 WeakPolarHBondContact O-CE 3.16Å; S97-K169 PolarHBondContact OG-NZ 2.81Å
98A96.5Very high97.3Very high25 Ų2517.1 Ų17.121%0.20710%0.101CC..SBendtrans-84.96169.900000112.8N59 E61 S102N59-A98 HydrophobicContact CB-CB 4.15Å; E61-A98 PolarHBondContact OE1-N 3.39Å; A98-S102 VanDerWaalsContact O-CB 3.26Å; A98-S102 WeakPolarHBondContact O-CB 3.11Å; A98-S102 PolarHBondContact O-N 2.72Å; A98-S102 PolarHBondContact O-OG 2.9Å
99L97.4Very high97.1Very high0 Ų018.2 Ų18.20%011%0.108CC..Hα-helixtrans-58.2-64.7-175.8-170.873.8000112.7F66 V69 I73 S97 S102 I103 V167 K169F66-L99 HydrophobicContact CB-CD1 4.14Å; F66-L99 HydrophobicContact CD2-CD1 3.81Å; F66-L99 HydrophobicContact CG-CD1 4.48Å; V69-L99 HydrophobicContact CG2-CD1 3.88Å; I73-L99 HydrophobicContact CD1-CD1 4.17Å; S97-L99 WeakPolarHBondContact OG-CB 3.41Å; S97-L99 PolarHBondContact OG-N 3.07Å; S97-L99 VanDerWaalsContact OG-N 3.09Å; L99-S102 PolarHBondContact O-N 3.04Å; L99-I103 HydrophobicContact CG-CD1 4.44Å; L99-I103 WeakPolarHBondContact O-CG1 3.4Å; L99-I103 PolarHBondContact O-N 2.79Å; L99-V167 HydrophobicContact CD2-CG1 3.63Å; L99-K169 HydrophobicContact CD2-CB 4.21Å; L99-K169 HydrophobicContact CD2-CD 4.18Å
100G97.8Very high96.9Very high0 Ų020.1 Ų20.10%012%0.12CC..Hα-helixtrans-54.2-47.3175.600000114.4D91 S102 I103 Y104D91-G100 WeakPolarHBondContact OD2-CA 3.35Å; D91-G100 PolarHBondContact OD2-N 3.3Å; G100-S102 VanDerWaalsContact C-N 3.27Å; G100-S102 PolarHBondContact O-N 2.93Å; G100-I103 PolarHBondContact O-N 2.85Å; G100-Y104 PolarHBondContact O-N 2.91Å
101P97.9Very high96.8Very high10 Ų1020.1 Ų20.17%0.06512%0.12CC..Hα-helixtrans-55.4-36.9171.8-29.135.3000114.7Y104 R105 M126 I144 F146P101-Y104 PolarHBondContact O-N 3.48Å; P101-R105 VanDerWaalsContact O-CB 3.31Å; P101-R105 WeakPolarHBondContact O-CB 3.36Å; P101-R105 PolarHBondContact O-N 3.43Å; P101-M126 HydrophobicContact CG-CE 3.76Å; P101-I144 HydrophobicContact CB-CD1 4.3Å; P101-I144 HydrophobicContact CG-CD1 4.14Å; P101-F146 HydrophobicContact CG-CE1 4.44Å; P101-F146 HydrophobicContact CG-CZ 4.14Å
102S97.8Very high96.8Very high8 Ų824.4 Ų24.46%0.05614%0.136CC..Hα-helixtrans-74.5-38.9178.9-56.90000111.7A98 L99 G100 Y104 R105 D106A98-S102 VanDerWaalsContact O-CB 3.26Å; A98-S102 WeakPolarHBondContact O-CB 3.11Å; A98-S102 PolarHBondContact O-N 2.72Å; A98-S102 PolarHBondContact O-OG 2.9Å; L99-S102 PolarHBondContact O-N 3.04Å; G100-S102 VanDerWaalsContact C-N 3.27Å; G100-S102 PolarHBondContact O-N 2.93Å; S102-Y104 VanDerWaalsContact C-N 3.31Å; S102-Y104 PolarHBondContact O-N 2.86Å; S102-R105 PolarHBondContact O-N 2.88Å; S102-D106 WeakPolarHBondContact O-CB 3.4Å; S102-D106 PolarHBondContact O-N 3.28Å
103I97.8Very high96.8Very high0 Ų024.3 Ų24.30%014%0.136CC..Hα-helixtrans-55.8-49.7169.8-66169.9000109.8F66 I73 L77 V89 L99 G100 R105 D106 S107 V113 V167F66-I103 HydrophobicContact CD2-CG1 4.17Å; F66-I103 HydrophobicContact CE2-CG1 3.67Å; F66-I103 HydrophobicContact CZ-CG1 4.42Å; I73-I103 HydrophobicContact CD1-CD1 4.23Å; I73-I103 HydrophobicContact CG2-CD1 4.19Å; I73-I103 HydrophobicContact CG2-CG1 4.17Å; L77-I103 HydrophobicContact CD1-CG2 3.98Å; L77-I103 HydrophobicContact CD2-CG2 4.33Å; V89-I103 HydrophobicContact CG1-CD1 4.35Å; V89-I103 HydrophobicContact CG1-CG2 4.42Å; L99-I103 HydrophobicContact CG-CD1 4.44Å; L99-I103 WeakPolarHBondContact O-CG1 3.4Å; L99-I103 PolarHBondContact O-N 2.79Å; G100-I103 PolarHBondContact O-N 2.85Å; I103-R105 PolarHBondContact O-N 2.84Å; I103-D106 PolarHBondContact O-N 2.85Å; I103-S107 VanDerWaalsContact O-CB 3.28Å; I103-S107 WeakPolarHBondContact O-CB 3.44Å; I103-S107 PolarHBondContact O-N 3.37Å; I103-S107 VanDerWaalsContact O-N 3.12Å; I103-S107 PolarHBondContact O-OG 3.28Å; I103-V113 HydrophobicContact CB-CG2 4.48Å; I103-V113 HydrophobicContact CG2-CG2 3.91Å; I103-V167 HydrophobicContact CD1-CG2 4.28Å
104Y97.9Very high96.8Very high28 Ų2823.4 Ų23.411%0.1113%0.126CC..Hα-helixtrans-59.1-44.4177.4168.2-105.4000112.8G100 P101 S102 V135 P137 Q143 I144G100-Y104 PolarHBondContact O-N 2.91Å; P101-Y104 PolarHBondContact O-N 3.48Å; S102-Y104 VanDerWaalsContact C-N 3.31Å; S102-Y104 PolarHBondContact O-N 2.86Å; Y104-V135 HydrophobicContact CD1-CB 4.38Å; Y104-V135 HydrophobicContact CD1-CG1 4.02Å; Y104-V135 HydrophobicContact CE1-CB 4.37Å; Y104-V135 HydrophobicContact CE1-CG1 4.32Å; Y104-V135 WeakPolarHBondContact CE1-O 3.39Å; Y104-P137 HydrophobicContact CD1-CB 4.3Å; Y104-P137 HydrophobicContact CD2-CB 4.18Å; Y104-P137 HydrophobicContact CE1-CB 3.84Å; Y104-P137 HydrophobicContact CE1-CG 4.09Å; Y104-P137 HydrophobicContact CE2-CB 3.7Å; Y104-P137 HydrophobicContact CE2-CG 3.98Å; Y104-P137 HydrophobicContact CG-CB 4.48Å; Y104-P137 WeakPolarHBondContact O-CB 3.36Å; Y104-P137 VanDerWaalsContact OH-CD 3.24Å; Y104-P137 WeakPolarHBondContact OH-CD 3.22Å; Y104-P137 VanDerWaalsContact OH-CG 3.27Å; Y104-P137 WeakPolarHBondContact OH-CG 3.25Å; Y104-Q143 VanDerWaalsContact CE2-C 3.49Å; Y104-I144 HydrophobicContact CD1-CB 4.16Å; Y104-I144 HydrophobicContact CD1-CD1 4.44Å; Y104-I144 HydrophobicContact CD1-CG2 3.86Å; Y104-I144 HydrophobicContact CD2-CB 3.7Å; Y104-I144 HydrophobicContact CD2-CG2 4.03Å; Y104-I144 HydrophobicContact CE1-CB 4.46Å; Y104-I144 HydrophobicContact CE1-CG2 3.78Å; Y104-I144 HydrophobicContact CE2-CB 4.03Å; Y104-I144 HydrophobicContact CE2-CG2 3.94Å; Y104-I144 HydrophobicContact CG-CB 3.74Å; Y104-I144 HydrophobicContact CG-CD1 4.25Å; Y104-I144 HydrophobicContact CG-CG2 3.97Å
105R97.2Very high96.8Very high96 Ų9623 Ų2336%0.36212%0.123SC..Hα-helixtrans-63.1-48.8-180-173-173.363.9-143.7-5.4111.9P101 S102 I103 V135 R138P101-R105 VanDerWaalsContact O-CB 3.31Å; P101-R105 WeakPolarHBondContact O-CB 3.36Å; P101-R105 PolarHBondContact O-N 3.43Å; S102-R105 PolarHBondContact O-N 2.88Å; I103-R105 PolarHBondContact O-N 2.84Å; R105-V135 HydrophobicContact CB-CG1 3.72Å; R105-V135 HydrophobicContact CG-CG1 3.98Å; R105-R138 WeakPolarHBondContact O-CB 3.43Å; R105-R138 PolarHBondContact O-N 3.32Å
106D95.9Very high96.9Very high49 Ų4923 Ų2326%0.26212%0.123SC..Hα-helixtrans-96.6-13.6-162.5-62.2-22.6000113.8F66 S102 I103 A108F66-D106 HydrophobicContact CE1-CB 4.19Å; F66-D106 WeakPolarHBondContact CE1-OD2 3.49Å; S102-D106 WeakPolarHBondContact O-CB 3.4Å; S102-D106 PolarHBondContact O-N 3.28Å; I103-D106 PolarHBondContact O-N 2.85Å; D106-A108 PolarHBondContact O-N 3.16Å
107S95.1Very high97Very high5 Ų523 Ų234%0.03512%0.122CC..  trans-58120.7177.4-69.30000112.4L77 I103 V111L77-S107 WeakPolarHBondContact CD1-OG 3.24Å; I103-S107 VanDerWaalsContact O-CB 3.28Å; I103-S107 WeakPolarHBondContact O-CB 3.44Å; I103-S107 PolarHBondContact O-N 3.37Å; I103-S107 VanDerWaalsContact O-N 3.12Å; I103-S107 PolarHBondContact O-OG 3.28Å; S107-V111 WeakPolarHBondContact OG-CG1 3.31Å
108A93.3Very high97Very high50 Ų5024.7 Ų24.741%0.41313%0.13SC..SBendtrans-72.7-34.2175.800000112.6D106 N139D106-A108 PolarHBondContact O-N 3.16Å; A108-N139 PolarHBondContact O-ND2 3.42Å
109L92.8Very high97.1Very high54 Ų5423.5 Ų23.528%0.28312%0.12SC..SBendtrans-93.6159.6177.1-61.5-176.7000110.9L77 V111L77-L109 WeakPolarHBondContact O-CD1 3.37Å; L109-V111 PolarHBondContact O-N 3.48Å
110P94.9Very high97.2Very high39 Ų3925.4 Ų25.425%0.25313%0.133SC..  trans-60.1127.8176.2-21.933.3000111.3P86 V87 N139P86-P110 CarbonylContact C-O 3.56Å; P86-P110 WeakPolarHBondContact CA-O 3.26Å; P86-P110 HydrophobicContact CB-CB 3.99Å; P86-P110 HydrophobicContact CG-CB 4.11Å; V87-P110 PolarHBondContact N-O 3.5Å; P110-N139 WeakPolarHBondContact CD-ND2 3.22Å
111V96.8Very high97.2Very high1 Ų126.4 Ų26.41%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-127.1146.9175.4-610000110.6L77 V87 S107 L109 V113 S142 Q143L77-V111 HydrophobicContact CD2-CG1 4.35Å; V87-V111 HydrophobicContact CB-CG1 4.01Å; V87-V111 HydrophobicContact CG2-CG1 4.16Å; V87-V111 CarbonylContact O-C 3.58Å; V87-V111 WeakPolarHBondContact O-CA 3.42Å; S107-V111 WeakPolarHBondContact OG-CG1 3.31Å; L109-V111 PolarHBondContact O-N 3.48Å; V111-V113 HydrophobicContact CB-CG2 4.22Å; V111-V113 HydrophobicContact CG2-CG2 3.74Å; V111-S142 PolarHBondContact N-OG 3.28Å; V111-S142 VanDerWaalsContact N-OG 3.1Å; V111-S142 CarbonylContact O-C 3.23Å; V111-S142 WeakPolarHBondContact O-CA 3.34Å; V111-S142 WeakPolarHBondContact O-CB 3.26Å; V111-Q143 PolarHBondContact O-N 3.36Å
112R97.6Very high97.2Very high93 Ų9325.9 Ų25.935%0.35114%0.136SC..EExtended strand (participates in β ladder)trans-111.3108.6162.3-180173.2-68.6154-6.2107.2V87 V89 Q143V87-R112 PolarHBondContact O-N 3.18Å; V89-R112 PolarHBondContact N-O 2.77Å; R112-Q143 WeakPolarHBondContact CA-O 3.33Å; R112-Q143 HydrophobicContact CG-CB 4.34Å; R112-Q143 VanDerWaalsContact CZ-OE1 3.29Å
113V98.6Very high97.2Very high0 Ų025.6 Ų25.60%013%0.133CC..EExtended strand (participates in β ladder)trans-100.3115.6-179-172.50000109.3V89 I103 V111 Q143 I144 E145V89-V113 HydrophobicContact CB-CG2 4.32Å; V89-V113 CarbonylContact O-C 3.55Å; V89-V113 WeakPolarHBondContact O-CA 3.4Å; I103-V113 HydrophobicContact CB-CG2 4.48Å; I103-V113 HydrophobicContact CG2-CG2 3.91Å; V111-V113 HydrophobicContact CB-CG2 4.22Å; V111-V113 HydrophobicContact CG2-CG2 3.74Å; V113-Q143 PolarHBondContact N-O 2.92Å; V113-I144 HydrophobicContact CB-CG1 4.36Å; V113-I144 CarbonylContact O-C 3.52Å; V113-I144 VanDerWaalsContact O-CA 3.29Å; V113-I144 WeakPolarHBondContact O-CA 3.48Å; V113-E145 PolarHBondContact O-N 3.22Å
114T98.7Very high97.2Very high5 Ų531.3 Ų31.33%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-98.7118168.2-53.50000108.3V89 L90 D91 E145 L147 Y158V89-T114 PolarHBondContact O-N 2.85Å; L90-T114 WeakPolarHBondContact CA-O 3.31Å; L90-T114 HydrophobicContact CD1-CG2 4.24Å; D91-T114 PolarHBondContact N-O 3.37Å; T114-E145 HydrophobicContact CG2-CG 3.86Å; T114-E145 PolarHBondContact OG1-OE1 2.76Å; T114-L147 HydrophobicContact CG2-CB 4.05Å; T114-L147 HydrophobicContact CG2-CD2 4.2Å; T114-Y158 WeakPolarHBondContact CB-OH 3.38Å; T114-Y158 VanDerWaalsContact CG2-OH 3.23Å; T114-Y158 WeakPolarHBondContact CG2-OH 3.13Å
115C98.8Very high97.2Very high0 Ų030.7 Ų30.70%015%0.154CC..EExtended strand (participates in β ladder)trans-97.6109.2173.6-53.10000108.1C94 E145 F146 L147C94-C115 HydrophobicContact CB-CB 3.96Å; C94-C115 VanDerWaalsContact SG-C 3.56Å; C115-E145 PolarHBondContact N-O 3.49Å; C115-F146 HydrophobicContact CB-CD1 3.5Å; C115-F146 VanDerWaalsContact CB-CD1 3.5Å; C115-F146 HydrophobicContact CB-CE1 3.66Å; C115-F146 HydrophobicContact CB-CG 4.35Å; C115-F146 CarbonylContact O-C 3.57Å; C115-F146 VanDerWaalsContact O-CA 3.26Å; C115-F146 WeakPolarHBondContact O-CA 3.26Å; C115-L147 PolarHBondContact O-N 2.92Å
116A98.6Very high97.2Very high4 Ų426.2 Ų26.23%0.03314%0.137CC..EExtended strand (participates in β ladder)trans-112.6133.6-170.800000111.4L90 D91 G93 C94 L147 L149L90-A116 HydrophobicContact CD1-CB 3.64Å; D91-A116 PolarHBondContact O-N 2.75Å; G93-A116 CarbonylContact C-O 3.36Å; G93-A116 VanDerWaalsContact CA-O 3.25Å; G93-A116 WeakPolarHBondContact CA-O 3.27Å; G93-A116 PolarHBondContact N-O 3Å; C94-A116 PolarHBondContact N-O 3.13Å; A116-L147 WeakPolarHBondContact CA-O 3.34Å; A116-L149 HydrophobicContact CB-CB 4.09Å; A116-L149 HydrophobicContact CB-CD2 4.14Å
117D98.7Very high97.3Very high9 Ų929.4 Ų29.45%0.04815%0.145CC..EExtended strand (participates in β ladder)trans-141.7149.6173.1-160-83.4000110.9G95 S119 A122 V123 L147 E148 L149G95-D117 WeakPolarHBondContact CA-OD2 3.39Å; G95-D117 PolarHBondContact N-OD2 2.88Å; D117-S119 PolarHBondContact O-N 2.72Å; D117-S119 WeakPolarHBondContact OD1-CA 3.31Å; D117-S119 WeakPolarHBondContact OD1-CB 3.22Å; D117-S119 PolarHBondContact OD1-N 3.15Å; D117-A122 HydrophobicContact CB-CB 4.45Å; D117-V123 HydrophobicContact CB-CG2 4.12Å; D117-L147 PolarHBondContact N-O 2.83Å; D117-L147 VanDerWaalsContact N-O 3.1Å; D117-E148 VanDerWaalsContact O-CA 3.32Å; D117-E148 WeakPolarHBondContact O-CA 3.37Å; D117-L149 CarbonylContact C-O 3.49Å; D117-L149 PolarHBondContact O-N 3.04Å
118I98.1Very high97.3Very high42 Ų4233 Ų3322%0.21516%0.161CC..SBendtrans-69.1-22.4175.5-161.7172.7000111.5K40 P120 L149 D150K40-I118 HydrophobicContact CB-CD1 3.86Å; K40-I118 HydrophobicContact CB-CG1 3.96Å; K40-I118 HydrophobicContact CD-CG1 4.12Å; K40-I118 WeakPolarHBondContact CD-O 3.39Å; K40-I118 WeakPolarHBondContact CE-O 3.46Å; K40-I118 HydrophobicContact CG-CD1 4.43Å; K40-I118 HydrophobicContact CG-CG1 3.95Å; K40-I118 WeakPolarHBondContact CG-O 3.28Å; I118-P120 VanDerWaalsContact O-CD 3.29Å; I118-P120 WeakPolarHBondContact O-CD 3.46Å; I118-L149 PolarHBondContact N-O 2.84Å; I118-D150 HydrophobicContact CD1-CB 4.26Å; I118-D150 HydrophobicContact CG1-CB 4.25Å
119S98.4Very high97.4Very high0 Ų032.6 Ų32.60%015%0.151CC..  trans-88.5111.6179.9-176.80000112D44 Y47 D117 V121 A122 V123D44-S119 VanDerWaalsContact OD1-CA 3.26Å; D44-S119 WeakPolarHBondContact OD1-CA 3.41Å; D44-S119 VanDerWaalsContact OD1-CB 3.24Å; D44-S119 WeakPolarHBondContact OD1-CB 3.42Å; D44-S119 PolarHBondContact OD1-OG 3.41Å; Y47-S119 WeakPolarHBondContact CD2-OG 3.4Å; D117-S119 PolarHBondContact O-N 2.72Å; D117-S119 WeakPolarHBondContact OD1-CA 3.31Å; D117-S119 WeakPolarHBondContact OD1-CB 3.22Å; D117-S119 PolarHBondContact OD1-N 3.15Å; S119-V121 PolarHBondContact O-N 2.92Å; S119-V121 PolarHBondContact OG-N 2.66Å; S119-A122 PolarHBondContact O-N 2.62Å; S119-A122 PolarHBondContact OG-N 3.29Å; S119-V123 WeakPolarHBondContact O-CG2 3.23Å; S119-V123 PolarHBondContact O-N 3.44Å; S119-V123 VanDerWaalsContact O-N 3.14Å
120P98.2Very high97.4Very high41 Ų4131.3 Ų31.327%0.26615%0.145SC..Hα-helixtrans-62.4-22.4170.824.2-32.5000112.1K40 D44 I118 R124 E148K40-P120 VanDerWaalsContact CE-CD 3.45Å; K40-P120 VanDerWaalsContact NZ-CG 3.31Å; D44-P120 WeakPolarHBondContact OD1-CD 3.38Å; I118-P120 VanDerWaalsContact O-CD 3.29Å; I118-P120 WeakPolarHBondContact O-CD 3.46Å; P120-R124 WeakPolarHBondContact O-CB 3.47Å; P120-R124 PolarHBondContact O-N 2.92Å; P120-E148 HydrophobicContact CB-CG 4.33Å; P120-E148 WeakPolarHBondContact CD-OE1 3.36Å; P120-E148 WeakPolarHBondContact CG-OE1 3.39Å
121V97.9Very high97.4Very high20 Ų2038 Ų3812%0.12117%0.165CC..Hα-helixtrans-66.7-49.9175.2-1750000109.9D44 S119 R124 L125D44-V121 HydrophobicContact CB-CG2 4.14Å; S119-V121 PolarHBondContact O-N 2.92Å; S119-V121 PolarHBondContact OG-N 2.66Å; V121-R124 PolarHBondContact O-N 2.67Å; V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 VanDerWaalsContact O-CG 3.24Å; V121-L125 WeakPolarHBondContact O-CG 3.48Å; V121-L125 PolarHBondContact O-N 2.82Å
122A97.8Very high97.2Very high0 Ų041.6 Ų41.60%020%0.195CC..Hα-helixtrans-58.8-48.8175.600000112.1Y47 T96 D117 S119 R124 L125 M126Y47-A122 HydrophobicContact CD1-CB 4.3Å; Y47-A122 HydrophobicContact CD2-CB 3.62Å; Y47-A122 HydrophobicContact CE1-CB 4.31Å; Y47-A122 HydrophobicContact CE2-CB 3.61Å; Y47-A122 HydrophobicContact CG-CB 3.98Å; T96-A122 HydrophobicContact CG2-CB 4.22Å; D117-A122 HydrophobicContact CB-CB 4.45Å; S119-A122 PolarHBondContact O-N 2.62Å; S119-A122 PolarHBondContact OG-N 3.29Å; A122-R124 VanDerWaalsContact C-N 3.33Å; A122-R124 PolarHBondContact O-N 3.09Å; A122-L125 PolarHBondContact O-N 2.9Å; A122-M126 WeakPolarHBondContact O-CG 3.26Å; A122-M126 PolarHBondContact O-N 3.41Å
123V98.4Very high97Very high2 Ų241.6 Ų41.61%0.01220%0.202CC..Hα-helixtrans-57.6-45.6178.4172.10000111.1D117 S119 M126 R127 F146 L147 E148D117-V123 HydrophobicContact CB-CG2 4.12Å; S119-V123 WeakPolarHBondContact O-CG2 3.23Å; S119-V123 PolarHBondContact O-N 3.44Å; S119-V123 VanDerWaalsContact O-N 3.14Å; V123-M126 PolarHBondContact O-N 2.67Å; V123-R127 WeakPolarHBondContact O-CB 3.29Å; V123-R127 VanDerWaalsContact O-CG 3.27Å; V123-R127 WeakPolarHBondContact O-CG 3.49Å; V123-R127 PolarHBondContact O-N 3.43Å; V123-F146 HydrophobicContact CG1-CB 4.07Å; V123-L147 VanDerWaalsContact CG2-O 3.3Å; V123-L147 WeakPolarHBondContact CG2-O 3.38Å; V123-E148 HydrophobicContact CG2-CB 4.47Å
124R98Very high96.7Very high119 Ų11946.2 Ų46.245%0.44923%0.232SC..Hα-helixtrans-61.9-48.8177.1179.6178.265.687.5-1.1111.5P120 V121 A122 M126 R127 E128P120-R124 WeakPolarHBondContact O-CB 3.47Å; P120-R124 PolarHBondContact O-N 2.92Å; V121-R124 PolarHBondContact O-N 2.67Å; A122-R124 VanDerWaalsContact C-N 3.33Å; A122-R124 PolarHBondContact O-N 3.09Å; R124-M126 VanDerWaalsContact C-N 3.3Å; R124-M126 PolarHBondContact O-N 2.65Å; R124-R127 PolarHBondContact O-N 2.87Å; R124-E128 WeakPolarHBondContact CD-OE1 3.42Å; R124-E128 HydrophobicContact CG-CG 4.38Å; R124-E128 WeakPolarHBondContact CG-OE1 3.43Å; R124-E128 IonicContact CZ-OE1 2.68Å; R124-E128 IonicContact NH1-OE1 3.56Å; R124-E128 PolarHBondContact NH1-OE1 2.95Å; R124-E128 IonicContact NH1-OE2 3.69Å; R124-E128 PolarHBondContact NH1-OE2 2.95Å; R124-E128 WeakPolarHBondContact O-CB 3.36Å; R124-E128 WeakPolarHBondContact O-CG 3.21Å; R124-E128 PolarHBondContact O-N 2.88Å
125L97Very high96.4Very high16 Ų1647.9 Ų47.98%0.08424%0.242CC..Hα-helixtrans-58-43.7179.4-71.2169.7000111.5F57 T96 V121 A122 E128 H129F57-L125 HydrophobicContact CD2-CB 4.11Å; F57-L125 HydrophobicContact CD2-CD2 4.29Å; F57-L125 HydrophobicContact CE2-CB 3.69Å; F57-L125 HydrophobicContact CE2-CD1 4.36Å; F57-L125 HydrophobicContact CE2-CG 4.45Å; T96-L125 HydrophobicContact CG2-CB 4.45Å; T96-L125 HydrophobicContact CG2-CD1 4.35Å; V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 VanDerWaalsContact O-CG 3.24Å; V121-L125 WeakPolarHBondContact O-CG 3.48Å; V121-L125 PolarHBondContact O-N 2.82Å; A122-L125 PolarHBondContact O-N 2.9Å; L125-E128 PolarHBondContact O-N 3.27Å; L125-H129 VanDerWaalsContact O-CB 3.31Å; L125-H129 WeakPolarHBondContact O-CB 3.28Å; L125-H129 PolarHBondContact O-N 2.79Å
126M97.6Very high96.2Very high2 Ų258.3 Ų58.31%0.0128%0.281CS..Hα-helixtrans-67.7-41.8178-71-60.1-71.200112.8F57 N59 T96 S97 P101 A122 V123 R124 E128 H129 V130 F146F57-M126 HydrophobicContact CE1-SD 4.08Å; F57-M126 HydrophobicContact CZ-SD 3.62Å; N59-M126 PolarHBondContact ND2-SD 2.84Å; T96-M126 HydrophobicContact CG2-CG 4.32Å; T96-M126 HydrophobicContact CG2-SD 4.45Å; S97-M126 VanDerWaalsContact O-CE 3.24Å; S97-M126 WeakPolarHBondContact O-CE 3.16Å; P101-M126 HydrophobicContact CG-CE 3.76Å; A122-M126 WeakPolarHBondContact O-CG 3.26Å; A122-M126 PolarHBondContact O-N 3.41Å; V123-M126 PolarHBondContact O-N 2.67Å; R124-M126 VanDerWaalsContact C-N 3.3Å; R124-M126 PolarHBondContact O-N 2.65Å; M126-E128 PolarHBondContact O-N 3.12Å; M126-H129 PolarHBondContact O-N 2.55Å; M126-V130 WeakPolarHBondContact O-CG2 3.37Å; M126-V130 PolarHBondContact O-N 2.96Å; M126-F146 HydrophobicContact CB-CD1 3.49Å; M126-F146 VanDerWaalsContact CB-CD1 3.49Å; M126-F146 HydrophobicContact CB-CE1 3.49Å; M126-F146 VanDerWaalsContact CB-CE1 3.49Å; M126-F146 HydrophobicContact CB-CG 4.11Å; M126-F146 HydrophobicContact CB-CZ 4.07Å; M126-F146 HydrophobicContact CE-CE1 3.64Å; M126-F146 HydrophobicContact CE-CZ 4.01Å; M126-F146 HydrophobicContact CG-CD1 4.26Å; M126-F146 HydrophobicContact CG-CE1 4.08Å
127R97.4Very high96.1Very high116 Ų11659.8 Ų59.844%0.43829%0.29SS..Hα-helixtrans-60.8-44.4174.2-73.6173.9176.5171.1-4.1111.8V123 R124 R131 F146V123-R127 WeakPolarHBondContact O-CB 3.29Å; V123-R127 VanDerWaalsContact O-CG 3.27Å; V123-R127 WeakPolarHBondContact O-CG 3.49Å; V123-R127 PolarHBondContact O-N 3.43Å; R124-R127 PolarHBondContact O-N 2.87Å; R127-R131 VanDerWaalsContact O-CB 3.26Å; R127-R131 WeakPolarHBondContact O-CB 3.49Å; R127-R131 PolarHBondContact O-N 2.99Å; R127-F146 HydrophobicContact CG-CB 3.71Å; R127-F146 HydrophobicContact CG-CD2 4.06Å; R127-F146 HydrophobicContact CG-CG 4.15Å; R127-F146 PolarHBondContact NE-O 3.13Å; R127-F146 PolarHBondContact NH2-O 3.1Å
128E95.8Very high95.9Very high79 Ų7968.1 Ų68.137%0.36932%0.321SS..Hα-helixtrans-63.2-45.2176.4-73.5170.1-173.200110.9R124 L125 M126 R131 A132R124-E128 WeakPolarHBondContact CD-OE1 3.42Å; R124-E128 HydrophobicContact CG-CG 4.38Å; R124-E128 WeakPolarHBondContact CG-OE1 3.43Å; R124-E128 IonicContact CZ-OE1 2.68Å; R124-E128 IonicContact NH1-OE1 3.56Å; R124-E128 PolarHBondContact NH1-OE1 2.95Å; R124-E128 IonicContact NH1-OE2 3.69Å; R124-E128 PolarHBondContact NH1-OE2 2.95Å; R124-E128 WeakPolarHBondContact O-CB 3.36Å; R124-E128 WeakPolarHBondContact O-CG 3.21Å; R124-E128 PolarHBondContact O-N 2.88Å; L125-E128 PolarHBondContact O-N 3.27Å; M126-E128 PolarHBondContact O-N 3.12Å; E128-R131 PolarHBondContact O-N 3.44Å; E128-A132 WeakPolarHBondContact O-CB 3.47Å; E128-A132 PolarHBondContact O-N 3.42Å
129H94.8Very high95.7Very high43 Ų4367.8 Ų67.820%0.19932%0.32CS..Hα-helixtrans-61-49.5179.1178.763.3000112.6F57 L125 M126 R131 A132 N133F57-H129 HydrophobicContact CD1-CB 3.62Å; F57-H129 AromaticContact CD1-CG 3.39Å; F57-H129 AromaticContact CD1-ND1 3.38Å; F57-H129 WeakPolarHBondContact CD1-ND1 3.33Å; F57-H129 HydrophobicContact CE1-CB 3.7Å; F57-H129 AromaticContact CE1-CD2 3.84Å; F57-H129 AromaticContact CE1-CG 3.53Å; F57-H129 AromaticContact CE1-ND1 3.95Å; F57-H129 HydrophobicContact CG-CB 4.32Å; F57-H129 HydrophobicContact CZ-CB 4.47Å; L125-H129 VanDerWaalsContact O-CB 3.31Å; L125-H129 WeakPolarHBondContact O-CB 3.28Å; L125-H129 PolarHBondContact O-N 2.79Å; M126-H129 PolarHBondContact O-N 2.55Å; H129-R131 VanDerWaalsContact C-N 3.32Å; H129-R131 PolarHBondContact O-N 3.32Å; H129-A132 PolarHBondContact O-N 3.24Å; H129-N133 WeakPolarHBondContact O-CB 3.48Å; H129-N133 PolarHBondContact O-N 3.33Å; H129-N133 PolarHBondContact O-ND2 2.93Å
130V93.9Very high95.6Very high26 Ų2672.5 Ų72.516%0.15836%0.359CS..Hα-helixtrans-68.7-31.5179.4172.90000111.6M126 N133 P134 F146M126-V130 WeakPolarHBondContact O-CG2 3.37Å; M126-V130 PolarHBondContact O-N 2.96Å; V130-N133 CarbonylContact O-C 3.51Å; V130-N133 VanDerWaalsContact O-C 3.23Å; V130-P134 VanDerWaalsContact O-CA 3.22Å; V130-P134 WeakPolarHBondContact O-CA 3.24Å; V130-F146 HydrophobicContact CB-CE2 4.16Å; V130-F146 HydrophobicContact CG1-CE2 4.5Å; V130-F146 HydrophobicContact CG2-CE2 3.73Å; V130-F146 HydrophobicContact CG2-CZ 3.73Å
131R93.8Very high95.4Very high181 Ų18174.2 Ų74.268%0.68337%0.372SS*.Hα-helixtrans-67-43173.2-172.5-174.6-60.7129.80.9111.7R127 E128 H129R127-R131 VanDerWaalsContact O-CB 3.26Å; R127-R131 WeakPolarHBondContact O-CB 3.49Å; R127-R131 PolarHBondContact O-N 2.99Å; E128-R131 PolarHBondContact O-N 3.44Å; H129-R131 VanDerWaalsContact C-N 3.32Å; H129-R131 PolarHBondContact O-N 3.32Å
132A94.3Very high95.4Very high75 Ų7573.7 Ų73.762%0.6237%0.369SS*.Hα-helixtrans-73.6-31.1178.600000112.5E128 H129E128-A132 WeakPolarHBondContact O-CB 3.47Å; E128-A132 PolarHBondContact O-N 3.42Å; H129-A132 PolarHBondContact O-N 3.24Å
133N93.2Very high95.4Very high93 Ų9378.2 Ų78.250%0.49739%0.39SS..SBendtrans-131.378.3-178.4-54.9-84.1000109.9H129 V130 V135H129-N133 WeakPolarHBondContact O-CB 3.48Å; H129-N133 PolarHBondContact O-N 3.33Å; H129-N133 PolarHBondContact O-ND2 2.93Å; V130-N133 CarbonylContact O-C 3.51Å; V130-N133 VanDerWaalsContact O-C 3.23Å; N133-V135 PolarHBondContact O-N 2.89Å; N133-V135 VanDerWaalsContact O-N 3.12Å
134P91.3Very high95.4Very high97 Ų9780 Ų8063%0.6340%0.399SS*.PPolyproline II helixtrans-59.7118.1-175.6-25.835.6000112.4V130V130-P134 VanDerWaalsContact O-CA 3.22Å; V130-P134 WeakPolarHBondContact O-CA 3.24Å
135V91.8Very high95.4Very high41 Ų4178.6 Ų78.625%0.24840%0.397CS..PPolyproline II helixtrans-73.8127.6170.1-176.50000107.9Y104 R105 N133Y104-V135 HydrophobicContact CD1-CB 4.38Å; Y104-V135 HydrophobicContact CD1-CG1 4.02Å; Y104-V135 HydrophobicContact CE1-CB 4.37Å; Y104-V135 HydrophobicContact CE1-CG1 4.32Å; Y104-V135 WeakPolarHBondContact CE1-O 3.39Å; R105-V135 HydrophobicContact CB-CG1 3.72Å; R105-V135 HydrophobicContact CG-CG1 3.98Å; N133-V135 PolarHBondContact O-N 2.89Å; N133-V135 VanDerWaalsContact O-N 3.12Å
136R94.6Very high95.4Very high219 Ų21978.4 Ų78.483%0.82640%0.396SS*.PPolyproline II helixtrans-93.4125.4176-66.2-172.9-179.5-166.90.3109.4
137P96.8Very high95.5Very high34 Ų3479.9 Ų79.922%0.22140%0.404CS..PPolyproline II helixtrans-74.4148.4175.633.3-34000109.9Y104 N139Y104-P137 HydrophobicContact CD1-CB 4.3Å; Y104-P137 HydrophobicContact CD2-CB 4.18Å; Y104-P137 HydrophobicContact CE1-CB 3.84Å; Y104-P137 HydrophobicContact CE1-CG 4.09Å; Y104-P137 HydrophobicContact CE2-CB 3.7Å; Y104-P137 HydrophobicContact CE2-CG 3.98Å; Y104-P137 HydrophobicContact CG-CB 4.48Å; Y104-P137 WeakPolarHBondContact O-CB 3.36Å; Y104-P137 VanDerWaalsContact OH-CD 3.24Å; Y104-P137 WeakPolarHBondContact OH-CD 3.22Å; Y104-P137 VanDerWaalsContact OH-CG 3.27Å; Y104-P137 WeakPolarHBondContact OH-CG 3.25Å; P137-N139 VanDerWaalsContact CB-O 3.32Å; P137-N139 WeakPolarHBondContact CB-O 3.33Å; P137-N139 VanDerWaalsContact CG-O 3.32Å; P137-N139 WeakPolarHBondContact CG-O 3.16Å; P137-N139 PolarHBondContact O-N 2.84Å
138R95.1Very high95.5Very high185 Ų18579 Ų7970%0.69841%0.405SS*.SBendtrans-63.9-32.4169.8-178.5177-176.4-163.61.6111.9R105R105-R138 WeakPolarHBondContact O-CB 3.43Å; R105-R138 PolarHBondContact O-N 3.32Å
139N94.6Very high95.6Very high35 Ų3576.1 Ų76.119%0.18739%0.391CS..SBendtrans-107.5121.1173.9-167.4-60.4000111A108 P110 P137 S141 S142A108-N139 PolarHBondContact O-ND2 3.42Å; P110-N139 WeakPolarHBondContact CD-ND2 3.22Å; P137-N139 VanDerWaalsContact CB-O 3.32Å; P137-N139 WeakPolarHBondContact CB-O 3.33Å; P137-N139 VanDerWaalsContact CG-O 3.32Å; P137-N139 WeakPolarHBondContact CG-O 3.16Å; P137-N139 PolarHBondContact O-N 2.84Å; N139-S141 PolarHBondContact O-N 2.85Å; N139-S141 VanDerWaalsContact O-N 3.17Å; N139-S141 WeakPolarHBondContact OD1-CB 3.46Å; N139-S141 PolarHBondContact OD1-N 2.9Å; N139-S142 VanDerWaalsContact O-CB 3.28Å; N139-S142 WeakPolarHBondContact O-CB 3.42Å; N139-S142 PolarHBondContact O-N 2.99Å; N139-S142 PolarHBondContact O-OG 3.16Å
140A95.1Very high95.7Very high99 Ų9976.4 Ų76.482%0.81840%0.395SS*.THydrogen-bonded Turntrans-66.1-18.3-175.300000114.4S142A140-S142 VanDerWaalsContact C-N 3.29Å
141S94.6Very high95.8Very high77 Ų7776 Ų7654%0.53839%0.393SS..THydrogen-bonded Turntrans-85.2-2.3175.2-61.60000113.2N139N139-S141 PolarHBondContact O-N 2.85Å; N139-S141 VanDerWaalsContact O-N 3.17Å; N139-S141 WeakPolarHBondContact OD1-CB 3.46Å; N139-S141 PolarHBondContact OD1-N 2.9Å
142S97Very high95.9Very high8 Ų869 Ų696%0.05637%0.37CS..  trans-74149.6177.3-64.30000112V111 N139 A140V111-S142 PolarHBondContact N-OG 3.28Å; V111-S142 VanDerWaalsContact N-OG 3.1Å; V111-S142 CarbonylContact O-C 3.23Å; V111-S142 WeakPolarHBondContact O-CA 3.34Å; V111-S142 WeakPolarHBondContact O-CB 3.26Å; N139-S142 VanDerWaalsContact O-CB 3.28Å; N139-S142 WeakPolarHBondContact O-CB 3.42Å; N139-S142 PolarHBondContact O-N 2.99Å; N139-S142 PolarHBondContact O-OG 3.16Å; A140-S142 VanDerWaalsContact C-N 3.29Å
143Q97.7Very high95.9Very high96 Ų9670.5 Ų70.545%0.44936%0.364SS..EExtended strand (participates in β ladder)trans-130.8146.6177.9-64.6175.50.300109.9Y104 V111 R112 V113Y104-Q143 VanDerWaalsContact CE2-C 3.49Å; V111-Q143 PolarHBondContact O-N 3.36Å; R112-Q143 WeakPolarHBondContact CA-O 3.33Å; R112-Q143 HydrophobicContact CG-CB 4.34Å; R112-Q143 VanDerWaalsContact CZ-OE1 3.29Å; V113-Q143 PolarHBondContact N-O 2.92Å
144I98.3Very high96Very high38 Ų3866.1 Ų66.120%0.19534%0.341CS..EExtended strand (participates in β ladder)trans-131138171-174.7166.6000109.3P101 Y104 V113 F146P101-I144 HydrophobicContact CB-CD1 4.3Å; P101-I144 HydrophobicContact CG-CD1 4.14Å; Y104-I144 HydrophobicContact CD1-CB 4.16Å; Y104-I144 HydrophobicContact CD1-CD1 4.44Å; Y104-I144 HydrophobicContact CD1-CG2 3.86Å; Y104-I144 HydrophobicContact CD2-CB 3.7Å; Y104-I144 HydrophobicContact CD2-CG2 4.03Å; Y104-I144 HydrophobicContact CE1-CB 4.46Å; Y104-I144 HydrophobicContact CE1-CG2 3.78Å; Y104-I144 HydrophobicContact CE2-CB 4.03Å; Y104-I144 HydrophobicContact CE2-CG2 3.94Å; Y104-I144 HydrophobicContact CG-CB 3.74Å; Y104-I144 HydrophobicContact CG-CD1 4.25Å; Y104-I144 HydrophobicContact CG-CG2 3.97Å; V113-I144 HydrophobicContact CB-CG1 4.36Å; V113-I144 CarbonylContact O-C 3.52Å; V113-I144 VanDerWaalsContact O-CA 3.29Å; V113-I144 WeakPolarHBondContact O-CA 3.48Å; I144-F146 HydrophobicContact CD1-CE2 4.22Å; I144-F146 HydrophobicContact CD1-CZ 3.91Å; I144-F146 HydrophobicContact CG1-CE2 4.22Å; I144-F146 HydrophobicContact CG1-CZ 4.33Å
145E98.1Very high95.8Very high90 Ų9064.4 Ų64.442%0.42133%0.327SS..EExtended strand (participates in β ladder)trans-136.4158.3171.271.4-177.1159.600110.7V113 T114 C115V113-E145 PolarHBondContact O-N 3.22Å; T114-E145 HydrophobicContact CG2-CG 3.86Å; T114-E145 PolarHBondContact OG1-OE1 2.76Å; C115-E145 PolarHBondContact N-O 3.49Å
146F98.6Very high95.9Very high13 Ų1366.8 Ų66.86%0.05735%0.345CS..EExtended strand (participates in β ladder)trans-119.8134.8174.1-62.4-90000108P101 C115 V123 M126 R127 V130 I144P101-F146 HydrophobicContact CG-CE1 4.44Å; P101-F146 HydrophobicContact CG-CZ 4.14Å; C115-F146 HydrophobicContact CB-CD1 3.5Å; C115-F146 VanDerWaalsContact CB-CD1 3.5Å; C115-F146 HydrophobicContact CB-CE1 3.66Å; C115-F146 HydrophobicContact CB-CG 4.35Å; C115-F146 CarbonylContact O-C 3.57Å; C115-F146 VanDerWaalsContact O-CA 3.26Å; C115-F146 WeakPolarHBondContact O-CA 3.26Å; V123-F146 HydrophobicContact CG1-CB 4.07Å; M126-F146 HydrophobicContact CB-CD1 3.49Å; M126-F146 VanDerWaalsContact CB-CD1 3.49Å; M126-F146 HydrophobicContact CB-CE1 3.49Å; M126-F146 VanDerWaalsContact CB-CE1 3.49Å; M126-F146 HydrophobicContact CB-CG 4.11Å; M126-F146 HydrophobicContact CB-CZ 4.07Å; M126-F146 HydrophobicContact CE-CE1 3.64Å; M126-F146 HydrophobicContact CE-CZ 4.01Å; M126-F146 HydrophobicContact CG-CD1 4.26Å; M126-F146 HydrophobicContact CG-CE1 4.08Å; R127-F146 HydrophobicContact CG-CB 3.71Å; R127-F146 HydrophobicContact CG-CD2 4.06Å; R127-F146 HydrophobicContact CG-CG 4.15Å; R127-F146 PolarHBondContact NE-O 3.13Å; R127-F146 PolarHBondContact NH2-O 3.1Å; V130-F146 HydrophobicContact CB-CE2 4.16Å; V130-F146 HydrophobicContact CG1-CE2 4.5Å; V130-F146 HydrophobicContact CG2-CE2 3.73Å; V130-F146 HydrophobicContact CG2-CZ 3.73Å; I144-F146 HydrophobicContact CD1-CE2 4.22Å; I144-F146 HydrophobicContact CD1-CZ 3.91Å; I144-F146 HydrophobicContact CG1-CE2 4.22Å; I144-F146 HydrophobicContact CG1-CZ 4.33Å
147L98.1Very high95.8Very high32 Ų3260.9 Ų60.917%0.16833%0.327CS..EExtended strand (participates in β ladder)trans-136.3134.6-170.7177.165.9000110.6T114 C115 A116 D117 V123 L149 H157T114-L147 HydrophobicContact CG2-CB 4.05Å; T114-L147 HydrophobicContact CG2-CD2 4.2Å; C115-L147 PolarHBondContact O-N 2.92Å; A116-L147 WeakPolarHBondContact CA-O 3.34Å; D117-L147 PolarHBondContact N-O 2.83Å; D117-L147 VanDerWaalsContact N-O 3.1Å; V123-L147 VanDerWaalsContact CG2-O 3.3Å; V123-L147 WeakPolarHBondContact CG2-O 3.38Å; L147-L149 HydrophobicContact CD2-CB 4.08Å; L147-L149 HydrophobicContact CD2-CD2 4.07Å; L147-L149 HydrophobicContact CG-CB 4.11Å; L147-L149 PolarHBondContact O-N 3.49Å; L147-H157 WeakPolarHBondContact CD2-NE2 3.27Å
148E98.4Very high95.8Very high98 Ų9860.6 Ų60.646%0.45832%0.321SS..EExtended strand (participates in β ladder)trans-76.4116.8164.4-178.5-177.1-171.200107.8K40 D117 P120 V123K40-E148 WeakPolarHBondContact CE-OE1 3.39Å; K40-E148 IonicContact NZ-OE1 3.37Å; D117-E148 VanDerWaalsContact O-CA 3.32Å; D117-E148 WeakPolarHBondContact O-CA 3.37Å; P120-E148 HydrophobicContact CB-CG 4.33Å; P120-E148 WeakPolarHBondContact CD-OE1 3.36Å; P120-E148 WeakPolarHBondContact CG-OE1 3.39Å; V123-E148 HydrophobicContact CG2-CB 4.47Å
149L97.8Very high95.7Very high18 Ų1853.7 Ų53.79%0.09431%0.308CS..  trans-151.6126.9-177.7179.662.8000110.2A116 D117 I118 L147 C151 L154 H157 Y158A116-L149 HydrophobicContact CB-CB 4.09Å; A116-L149 HydrophobicContact CB-CD2 4.14Å; D117-L149 CarbonylContact C-O 3.49Å; D117-L149 PolarHBondContact O-N 3.04Å; I118-L149 PolarHBondContact N-O 2.84Å; L147-L149 HydrophobicContact CD2-CB 4.08Å; L147-L149 HydrophobicContact CD2-CD2 4.07Å; L147-L149 HydrophobicContact CG-CB 4.11Å; L147-L149 PolarHBondContact O-N 3.49Å; L149-C151 PolarHBondContact O-N 3.16Å; L149-L154 HydrophobicContact CD2-CD2 3.73Å; L149-H157 HydrophobicContact CD1-CB 3.86Å; L149-H157 HydrophobicContact CD2-CB 4.48Å; L149-Y158 HydrophobicContact CD2-CE2 3.81Å
150D97.3Very high95.5Very high50 Ų5056.7 Ų56.727%0.26733%0.329SS..  trans-76.3117.4165.7-172-24.2000108.7I118 T152 Q153I118-D150 HydrophobicContact CD1-CB 4.26Å; I118-D150 HydrophobicContact CG1-CB 4.25Å; D150-T152 PolarHBondContact O-N 2.94Å; D150-T152 VanDerWaalsContact O-N 3.1Å; D150-T152 WeakPolarHBondContact OD1-CB 3.38Å; D150-T152 WeakPolarHBondContact OD1-CG2 3.24Å; D150-T152 PolarHBondContact OD1-N 2.66Å; D150-T152 PolarHBondContact OD1-OG1 3.32Å; D150-T152 PolarHBondContact OD2-OG1 3.26Å; D150-Q153 HydrophobicContact CB-CG 4.34Å; D150-Q153 PolarHBondContact O-N 3.37Å
151C96.3Very high95.3Very high17 Ų1754.4 Ų54.412%0.11531%0.307CS..G310 helixtrans-61.9-17.6179.6620000113.4M92 L149 Q153 L154 V188M92-C151 HydrophobicContact CG-CB 3.83Å; M92-C151 HydrophobicContact SD-CB 3.68Å; L149-C151 PolarHBondContact O-N 3.16Å; C151-Q153 PolarHBondContact O-N 3.29Å; C151-L154 HydrophobicContact CB-CD1 4.39Å; C151-L154 HydrophobicContact CB-CG 4.44Å; C151-L154 WeakPolarHBondContact O-CD1 3.49Å; C151-L154 VanDerWaalsContact O-CG 3.28Å; C151-L154 WeakPolarHBondContact O-CG 3.28Å; C151-V188 HydrophobicContact CB-CG1 4.2Å; C151-V188 HydrophobicContact CB-CG2 4.23Å; C151-V188 VanDerWaalsContact SG-CG2 3.59Å
152T95Very high95.3Very high35 Ų3552.3 Ų52.322%0.21529%0.292CS..G310 helixtrans-750.8171.170.30000113.3D150 K184 V188 Q191D150-T152 PolarHBondContact O-N 2.94Å; D150-T152 VanDerWaalsContact O-N 3.1Å; D150-T152 WeakPolarHBondContact OD1-CB 3.38Å; D150-T152 WeakPolarHBondContact OD1-CG2 3.24Å; D150-T152 PolarHBondContact OD1-N 2.66Å; D150-T152 PolarHBondContact OD1-OG1 3.32Å; D150-T152 PolarHBondContact OD2-OG1 3.26Å; T152-K184 HydrophobicContact CG2-CB 4.18Å; T152-K184 HydrophobicContact CG2-CG 4.42Å; T152-V188 HydrophobicContact CG2-CG2 3.81Å; T152-Q191 VanDerWaalsContact C-NE2 3.31Å; T152-Q191 PolarHBondContact O-NE2 3.47Å; T152-Q191 PolarHBondContact O-OE1 2.91Å
153Q95.3Very high95.2Very high105 Ų10552 Ų5249%0.49129%0.29SS..G310 helixtrans-129.122.7178.7-56.5-174.3300112.2D150 C151 D155 S156 H157 Q191D150-Q153 HydrophobicContact CB-CG 4.34Å; D150-Q153 PolarHBondContact O-N 3.37Å; C151-Q153 PolarHBondContact O-N 3.29Å; Q153-D155 VanDerWaalsContact C-N 3.29Å; Q153-D155 PolarHBondContact O-N 2.76Å; Q153-S156 WeakPolarHBondContact O-CB 3.41Å; Q153-S156 PolarHBondContact O-N 3.41Å; Q153-S156 VanDerWaalsContact O-N 3.16Å; Q153-S156 PolarHBondContact O-OG 3.2Å; Q153-H157 PolarHBondContact O-N 3.35Å; Q153-Q191 VanDerWaalsContact C-OE1 3.31Å
154L94.2Very high95.1Very high1 Ų147.5 Ų47.51%0.00527%0.269CS..Hα-helixtrans-53.7-43.2-179.3-80.4170.1000113L90 M92 L149 C151 S156 H157 Y158 Q191 C192L90-L154 HydrophobicContact CD2-CD2 3.54Å; M92-L154 HydrophobicContact SD-CD1 3.95Å; L149-L154 HydrophobicContact CD2-CD2 3.73Å; C151-L154 HydrophobicContact CB-CD1 4.39Å; C151-L154 HydrophobicContact CB-CG 4.44Å; C151-L154 WeakPolarHBondContact O-CD1 3.49Å; C151-L154 VanDerWaalsContact O-CG 3.28Å; C151-L154 WeakPolarHBondContact O-CG 3.28Å; L154-S156 PolarHBondContact O-N 2.86Å; L154-H157 PolarHBondContact O-N 2.68Å; L154-H157 VanDerWaalsContact O-N 3.1Å; L154-Y158 HydrophobicContact CD2-CD2 3.99Å; L154-Y158 HydrophobicContact CD2-CE2 4Å; L154-Y158 PolarHBondContact O-N 3.38Å; L154-Q191 HydrophobicContact CB-CB 4.06Å; L154-C192 VanDerWaalsContact CD1-SG 3.5Å
155D88.3Confident95Very high62 Ų6245.7 Ų45.733%0.33226%0.26SS..Hα-helixtrans-75.8-10.9-175.676.8-22.3000114.3Q153 Q191 K194 V195Q153-D155 VanDerWaalsContact C-N 3.29Å; Q153-D155 PolarHBondContact O-N 2.76Å; D155-Q191 HydrophobicContact CB-CB 4.43Å; D155-Q191 HydrophobicContact CB-CG 4.18Å; D155-Q191 VanDerWaalsContact N-OE1 3.16Å; D155-Q191 PolarHBondContact OD1-OE1 3.2Å; D155-K194 HydrophobicContact CB-CD 4.02Å; D155-K194 IonicContact OD2-NZ 3.56Å; D155-K194 PolarHBondContact OD2-NZ 3.46Å; D155-V195 HydrophobicContact CB-CG1 4.15Å
156S92.1Very high95Very high91 Ų9141.4 Ų41.464%0.63624%0.24SC*.Hα-helixtrans-82.2-25.9168.977.90000112.2Q153 L154Q153-S156 WeakPolarHBondContact O-CB 3.41Å; Q153-S156 PolarHBondContact O-N 3.41Å; Q153-S156 VanDerWaalsContact O-N 3.16Å; Q153-S156 PolarHBondContact O-OG 3.2Å; L154-S156 PolarHBondContact O-N 2.86Å
157H94.3Very high95Very high95 Ų9540.8 Ų40.844%0.4424%0.237SC..Hα-helixtrans-95.2-37.1-179.3-165.884000112.4L147 L149 Q153 L154L147-H157 WeakPolarHBondContact CD2-NE2 3.27Å; L149-H157 HydrophobicContact CD1-CB 3.86Å; L149-H157 HydrophobicContact CD2-CB 4.48Å; Q153-H157 PolarHBondContact O-N 3.35Å; L154-H157 PolarHBondContact O-N 2.68Å; L154-H157 VanDerWaalsContact O-N 3.1Å
158Y95.2Very high95.1Very high27 Ų2739.3 Ų39.311%0.10623%0.229CC..SBendtrans-111.3132.4-177.7-68.4-76000110.8L90 T114 L149 L154 L163L90-Y158 HydrophobicContact CD1-CE2 4.41Å; L90-Y158 HydrophobicContact CD2-CE2 4.22Å; T114-Y158 WeakPolarHBondContact CB-OH 3.38Å; T114-Y158 VanDerWaalsContact CG2-OH 3.23Å; T114-Y158 WeakPolarHBondContact CG2-OH 3.13Å; L149-Y158 HydrophobicContact CD2-CE2 3.81Å; L154-Y158 HydrophobicContact CD2-CD2 3.99Å; L154-Y158 HydrophobicContact CD2-CE2 4Å; L154-Y158 PolarHBondContact O-N 3.38Å; Y158-L163 HydrophobicContact CD1-CD1 4.21Å; Y158-L163 HydrophobicContact CD1-CD2 3.88Å; Y158-L163 HydrophobicContact CD1-CG 4.03Å; Y158-L163 HydrophobicContact CD2-CD1 4.22Å; Y158-L163 HydrophobicContact CE1-CD1 4.37Å; Y158-L163 HydrophobicContact CE1-CD2 3.75Å; Y158-L163 HydrophobicContact CE1-CG 4.32Å; Y158-L163 HydrophobicContact CE2-CD1 4.35Å; Y158-L163 HydrophobicContact CG-CD1 4.14Å; Y158-L163 HydrophobicContact CG-CG 4.32Å
159G92.8Very high95Very high40 Ų4035.5 Ų35.541%0.41221%0.211SC..  trans-63.4157.6170.500000111.8S161 S162G159-S161 PolarHBondContact O-N 3.33Å; G159-S162 VanDerWaalsContact O-CB 3.24Å; G159-S162 WeakPolarHBondContact O-CB 3.31Å; G159-S162 PolarHBondContact O-N 3.5Å; G159-S162 PolarHBondContact O-OG 2.95Å
160P91.5Very high94.9Very high98 Ų9835.3 Ų35.364%0.63621%0.214SC*.THydrogen-bonded Turntrans-57.9141.1173.426.6-34.2000110.3S162 K194P160-S162 PolarHBondContact O-N 2.8Å; P160-K194 WeakPolarHBondContact CA-O 3.07Å
161S91.3Very high94.9Very high51 Ų5134 Ų3436%0.35721%0.207SC..THydrogen-bonded Turntrans54.733.7179.3-59.60000115.8G159 K194 V195 L196G159-S161 PolarHBondContact O-N 3.33Å; S161-K194 PolarHBondContact N-O 3Å; S161-K194 VanDerWaalsContact N-O 3.16Å; S161-V195 CarbonylContact C-O 3.59Å; S161-V195 WeakPolarHBondContact CA-O 3.39Å; S161-V195 PolarHBondContact N-O 3.01Å; S161-L196 WeakPolarHBondContact CA-O 3.41Å; S161-L196 PolarHBondContact OG-O 2.8Å
162S93.6Very high94.9Very high33 Ų3333.2 Ų33.223%0.23120%0.202CC..  trans-93-29.618060.10000113.7G159 P160 V195G159-S162 VanDerWaalsContact O-CB 3.24Å; G159-S162 WeakPolarHBondContact O-CB 3.31Å; G159-S162 PolarHBondContact O-N 3.5Å; G159-S162 PolarHBondContact O-OG 2.95Å; P160-S162 PolarHBondContact O-N 2.8Å; S162-V195 PolarHBondContact N-O 3.05Å
163L95.4Very high94.9Very high3 Ų331.6 Ų31.62%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-95.6145.8-175.6-67.8-179.1000112.8Q88 L90 Y158 I166 V195 L196 R197Q88-L163 HydrophobicContact CB-CD2 4.02Å; L90-L163 HydrophobicContact CB-CD1 3.86Å; L90-L163 HydrophobicContact CB-CD2 4.48Å; L90-L163 HydrophobicContact CD2-CD1 3.74Å; L90-L163 HydrophobicContact CG-CD1 4.44Å; Y158-L163 HydrophobicContact CD1-CD1 4.21Å; Y158-L163 HydrophobicContact CD1-CD2 3.88Å; Y158-L163 HydrophobicContact CD1-CG 4.03Å; Y158-L163 HydrophobicContact CD2-CD1 4.22Å; Y158-L163 HydrophobicContact CE1-CD1 4.37Å; Y158-L163 HydrophobicContact CE1-CD2 3.75Å; Y158-L163 HydrophobicContact CE1-CG 4.32Å; Y158-L163 HydrophobicContact CE2-CD1 4.35Å; Y158-L163 HydrophobicContact CG-CD1 4.14Å; Y158-L163 HydrophobicContact CG-CG 4.32Å; L163-I166 HydrophobicContact CB-CG1 4.47Å; L163-I166 HydrophobicContact CD1-CD1 4.04Å; L163-I166 HydrophobicContact CD1-CG1 3.93Å; L163-V195 HydrophobicContact CD1-CG2 3.79Å; L163-V195 HydrophobicContact CG-CG2 4.41Å; L163-V195 PolarHBondContact N-O 3.2Å; L163-L196 HydrophobicContact CB-CD2 4.32Å; L163-R197 WeakPolarHBondContact O-CG 3.1Å; L163-R197 PolarHBondContact O-N 3.04Å
164D95.1Very high94.9Very high1 Ų127 Ų271%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-98.8-40.6-175.7-74.3-38.7000112R85 V87 Q88 R197 G200 S201R85-D164 IonicContact CZ-OD1 3.69Å; R85-D164 IonicContact CZ-OD2 2.66Å; R85-D164 IonicContact NH2-OD1 3.88Å; R85-D164 PolarHBondContact NH2-OD1 2.84Å; R85-D164 IonicContact NH2-OD2 3.62Å; V87-D164 VanDerWaalsContact CA-OD2 3.31Å; V87-D164 WeakPolarHBondContact CA-OD2 3.47Å; V87-D164 HydrophobicContact CG1-CB 3.52Å; Q88-D164 HydrophobicContact CB-CB 4.19Å; Q88-D164 PolarHBondContact N-OD2 3.46Å; Q88-D164 WeakPolarHBondContact O-CA 3.07Å; Q88-D164 VanDerWaalsContact O-CB 3.27Å; Q88-D164 WeakPolarHBondContact O-CB 3.42Å; Q88-D164 PolarHBondContact O-N 3.06Å; D164-R197 VanDerWaalsContact CG-NH1 3.32Å; D164-R197 PolarHBondContact O-NH2 2.75Å; D164-R197 WeakPolarHBondContact OD1-CD 3.25Å; D164-R197 IonicContact OD1-CZ 3.8Å; D164-R197 IonicContact OD1-NE 3.85Å; D164-R197 PolarHBondContact OD1-NE 2.91Å; D164-R197 IonicContact OD1-NH1 2.79Å; D164-R197 PolarHBondContact OD1-NH1 3.08Å; D164-R197 IonicContact OD1-NH2 2.79Å; D164-G200 WeakPolarHBondContact O-CA 3.33Å; D164-S201 PolarHBondContact O-N 3.23Å
165L97.3Very high94.9Very high0 Ų027.7 Ų27.70%018%0.176CC..EExtended strand (participates in β ladder)trans-146.2133.1178.3174.665.7000108.6I73 F76 L77 Q88 V89 L90 V167 S201 L203I73-L165 HydrophobicContact CG2-CD2 4.08Å; F76-L165 HydrophobicContact CB-CD1 4.08Å; F76-L165 HydrophobicContact CB-CD2 4.09Å; F76-L165 HydrophobicContact CG-CD1 4.17Å; L77-L165 HydrophobicContact CD2-CD2 3.92Å; Q88-L165 PolarHBondContact O-N 3Å; Q88-L165 VanDerWaalsContact O-N 3.14Å; V89-L165 CarbonylContact C-O 3.59Å; V89-L165 WeakPolarHBondContact CA-O 3.24Å; V89-L165 HydrophobicContact CG1-CB 4.39Å; V89-L165 HydrophobicContact CG1-CD2 4.11Å; V89-L165 HydrophobicContact CG1-CG 4.33Å; V89-L165 HydrophobicContact CG2-CB 4.35Å; V89-L165 HydrophobicContact CG2-CD2 4.46Å; L90-L165 PolarHBondContact N-O 3.28Å; L165-V167 HydrophobicContact CD1-CG2 4.41Å; L165-V167 HydrophobicContact CD2-CG2 3.93Å; L165-V167 HydrophobicContact CG-CG2 3.92Å; L165-S201 WeakPolarHBondContact CA-O 3.42Å; L165-L203 HydrophobicContact CD1-CD1 3.96Å; L165-L203 HydrophobicContact CD1-CG 3.88Å
166I98.5Very high95.2Very high0 Ų026.4 Ų26.40%017%0.169CC..EExtended strand (participates in β ladder)trans-112.3131.4166.3-57.8171.5000107.3L90 M92 L163 C192 V195 L196 S201 L202 L203L90-I166 HydrophobicContact CB-CG1 4.22Å; L90-I166 HydrophobicContact CB-CG2 4.48Å; L90-I166 HydrophobicContact CD2-CG1 4.29Å; L90-I166 HydrophobicContact CD2-CG2 4.22Å; L90-I166 HydrophobicContact CG-CG2 4.42Å; L90-I166 CarbonylContact O-C 3.58Å; L90-I166 WeakPolarHBondContact O-CA 3.21Å; M92-I166 HydrophobicContact CB-CG2 4.17Å; L163-I166 HydrophobicContact CB-CG1 4.47Å; L163-I166 HydrophobicContact CD1-CD1 4.04Å; L163-I166 HydrophobicContact CD1-CG1 3.93Å; I166-C192 HydrophobicContact CD1-CB 3.69Å; I166-V195 HydrophobicContact CD1-CG2 3.94Å; I166-L196 HydrophobicContact CD1-CD1 4.15Å; I166-L196 HydrophobicContact CD1-CD2 4.01Å; I166-L196 HydrophobicContact CD1-CG 3.75Å; I166-L196 HydrophobicContact CG1-CD2 3.86Å; I166-L196 HydrophobicContact CG1-CG 4.19Å; I166-S201 PolarHBondContact N-O 3.21Å; I166-L202 HydrophobicContact CB-CD1 3.79Å; I166-L202 HydrophobicContact CG2-CD1 3.56Å; I166-L202 CarbonylContact O-C 3.56Å; I166-L202 WeakPolarHBondContact O-CA 3.29Å; I166-L203 PolarHBondContact O-N 2.97Å
167V98.7Very high95.1Very high0 Ų024.2 Ų24.20%015%0.147CC..EExtended strand (participates in β ladder)trans-114125.8174.2-173.60000107.8I73 V89 L90 M92 L99 I103 L165 F205I73-V167 HydrophobicContact CD1-CG1 4.41Å; V89-V167 HydrophobicContact CG1-CG2 4.47Å; L90-V167 PolarHBondContact O-N 3.33Å; M92-V167 PolarHBondContact N-O 2.99Å; L99-V167 HydrophobicContact CD2-CG1 3.63Å; I103-V167 HydrophobicContact CD1-CG2 4.28Å; L165-V167 HydrophobicContact CD1-CG2 4.41Å; L165-V167 HydrophobicContact CD2-CG2 3.93Å; L165-V167 HydrophobicContact CG-CG2 3.92Å; V167-F205 HydrophobicContact CG1-CD2 4.04Å; V167-F205 HydrophobicContact CG1-CE2 3.84Å
168D98.4Very high94.7Very high0 Ų020 Ų200%013%0.128CC..EExtended strand (participates in β ladder)trans-121.3118.4177175.7-4.8000107.8M92 T171 T172 L202 L203 Q204 F205M92-D168 HydrophobicContact CE-CB 3.77Å; M92-D168 WeakPolarHBondContact CE-OD2 3.23Å; D168-T171 WeakPolarHBondContact OD1-CA 3.41Å; D168-T171 WeakPolarHBondContact OD1-CB 3.37Å; D168-T171 PolarHBondContact OD1-N 3.33Å; D168-T172 PolarHBondContact OD1-N 3.3Å; D168-T172 WeakPolarHBondContact OD2-CB 3.46Å; D168-T172 PolarHBondContact OD2-N 3.47Å; D168-T172 PolarHBondContact OD2-OG1 3.14Å; D168-L202 HydrophobicContact CB-CD1 4.11Å; D168-L203 PolarHBondContact N-O 3.35Å; D168-Q204 HydrophobicContact CB-CG 4.16Å; D168-Q204 CarbonylContact O-C 3.56Å; D168-Q204 WeakPolarHBondContact O-CA 3.26Å; D168-Q204 PolarHBondContact OD2-NE2 2.9Å; D168-F205 PolarHBondContact O-N 3.39Å
169K97.3Very high94Very high19 Ų1928.7 Ų28.78%0.08317%0.166CC..EExtended strand (participates in β ladder)trans-12285.9177.8-174.2168.864.185.40109.7E61 F63 F64 S97 L99 F205E61-K169 IonicContact OE2-NZ 2.74Å; E61-K169 PolarHBondContact OE2-NZ 3.19Å; F63-K169 HydrophobicContact CD2-CG 4.03Å; F64-K169 HydrophobicContact CD2-CD 3.9Å; F64-K169 HydrophobicContact CE2-CD 3.57Å; F64-K169 HydrophobicContact CE2-CG 4.32Å; F64-K169 HydrophobicContact CZ-CD 4.33Å; F64-K169 WeakPolarHBondContact O-CE 3.42Å; F64-K169 PolarHBondContact O-NZ 2.94Å; S97-K169 PolarHBondContact OG-NZ 2.81Å; L99-K169 HydrophobicContact CD2-CB 4.21Å; L99-K169 HydrophobicContact CD2-CD 4.18Å; K169-F205 HydrophobicContact CB-CB 4.4Å; K169-F205 HydrophobicContact CG-CB 4.2Å
170G95.1Very high93.4Very high14 Ų1433.2 Ų33.214%0.14418%0.177CC..SBendtrans85.31.1177.100000115.5D173 A174 F205G170-D173 WeakPolarHBondContact CA-OD2 3.38Å; G170-A174 WeakPolarHBondContact O-CB 3.31Å; G170-A174 PolarHBondContact O-N 3.47Å; G170-F205 PolarHBondContact N-O 3.41Å
171T97Very high93.2Very high21 Ų2128.5 Ų28.513%0.12915%0.146CC..Hα-helixtrans-75.2-45.2-178.7-50.10000111M92 G93 D168 D173 A174 L175M92-T171 HydrophobicContact CE-CG2 4.33Å; M92-T171 PolarHBondContact O-OG1 2.81Å; G93-T171 WeakPolarHBondContact CA-OG1 3.21Å; D168-T171 WeakPolarHBondContact OD1-CA 3.41Å; D168-T171 WeakPolarHBondContact OD1-CB 3.37Å; D168-T171 PolarHBondContact OD1-N 3.33Å; T171-D173 VanDerWaalsContact C-N 3.27Å; T171-D173 PolarHBondContact O-N 3.32Å; T171-A174 WeakPolarHBondContact O-CB 3.45Å; T171-A174 PolarHBondContact O-N 3.25Å; T171-L175 PolarHBondContact O-N 3.34Å
172T97.2Very high93.3Very high1 Ų128.5 Ų28.51%0.00615%0.149CC..Hα-helixtrans-64.8-34.6172.9-680000111.6D168 L175 L176 A185 Q204 W216D168-T172 PolarHBondContact OD1-N 3.3Å; D168-T172 WeakPolarHBondContact OD2-CB 3.46Å; D168-T172 PolarHBondContact OD2-N 3.47Å; D168-T172 PolarHBondContact OD2-OG1 3.14Å; T172-L175 PolarHBondContact O-N 3.22Å; T172-L176 HydrophobicContact CG2-CD1 3.71Å; T172-L176 HydrophobicContact CG2-CG 4.1Å; T172-L176 WeakPolarHBondContact O-CB 3.29Å; T172-L176 WeakPolarHBondContact O-CG 3.4Å; T172-L176 PolarHBondContact O-N 2.81Å; T172-A185 HydrophobicContact CG2-CB 4.32Å; T172-Q204 VanDerWaalsContact CB-NE2 3.32Å; T172-Q204 PolarHBondContact OG1-NE2 3.14Å; T172-W216 HydrophobicContact CG2-CH2 3.62Å; T172-W216 HydrophobicContact CG2-CZ3 3.73Å
173D95.4Very high93.2Very high1 Ų133.6 Ų33.61%0.00517%0.17CC..Hα-helixtrans-61-44.3173.7-61-73.9000112.2G170 T171 L175 L176 R177 S206 R213G170-D173 WeakPolarHBondContact CA-OD2 3.38Å; T171-D173 VanDerWaalsContact C-N 3.27Å; T171-D173 PolarHBondContact O-N 3.32Å; D173-L175 VanDerWaalsContact C-N 3.28Å; D173-L175 PolarHBondContact O-N 3.02Å; D173-L176 PolarHBondContact O-N 3.33Å; D173-R177 VanDerWaalsContact O-CB 3.29Å; D173-R177 WeakPolarHBondContact O-CB 3.26Å; D173-R177 WeakPolarHBondContact O-CD 3.47Å; D173-R177 WeakPolarHBondContact O-CG 3.27Å; D173-R177 PolarHBondContact O-N 2.88Å; D173-R177 IonicContact OD1-NH2 3.4Å; D173-S206 VanDerWaalsContact CG-OG 3.28Å; D173-S206 PolarHBondContact OD1-OG 3.19Å; D173-S206 WeakPolarHBondContact OD2-CB 3.42Å; D173-S206 PolarHBondContact OD2-OG 3.33Å; D173-R213 IonicContact OD1-CZ 2.97Å; D173-R213 IonicContact OD1-NH1 3.77Å; D173-R213 IonicContact OD1-NH2 3.93Å; D173-R213 PolarHBondContact OD1-NH2 2.83Å
174A93.6Very high93.2Very high10 Ų1036.7 Ų36.78%0.08318%0.183CC..Hα-helixtrans-57.6-41.7175.800000111.9M37 W43 G170 T171 S178M37-A174 HydrophobicContact CB-CB 4Å; M37-A174 VanDerWaalsContact CB-O 3.29Å; M37-A174 WeakPolarHBondContact CB-O 3.06Å; M37-A174 HydrophobicContact SD-CB 4.34Å; W43-A174 HydrophobicContact CZ2-CB 3.94Å; G170-A174 WeakPolarHBondContact O-CB 3.31Å; G170-A174 PolarHBondContact O-N 3.47Å; T171-A174 WeakPolarHBondContact O-CB 3.45Å; T171-A174 PolarHBondContact O-N 3.25Å; A174-S178 PolarHBondContact O-OG 2.94Å
175L95Very high93.2Very high14 Ų1436.7 Ų36.77%0.07318%0.183CC..Hα-helixtrans-67.8-52.2175-65176.6000111.6D38 T171 T172 D173 R177 S178 G181 K184 A185 V188D38-L175 HydrophobicContact CB-CD2 4.13Å; T171-L175 PolarHBondContact O-N 3.34Å; T172-L175 PolarHBondContact O-N 3.22Å; D173-L175 VanDerWaalsContact C-N 3.28Å; D173-L175 PolarHBondContact O-N 3.02Å; L175-R177 PolarHBondContact O-N 3.5Å; L175-S178 WeakPolarHBondContact O-CB 3.18Å; L175-S178 PolarHBondContact O-N 2.94Å; L175-G181 CarbonylContact O-C 3.53Å; L175-G181 WeakPolarHBondContact O-CA 3.46Å; L175-K184 HydrophobicContact CD2-CB 4.36Å; L175-K184 HydrophobicContact CD2-CD 4.47Å; L175-A185 HydrophobicContact CB-CB 3.88Å; L175-A185 HydrophobicContact CD1-CB 4.3Å; L175-V188 HydrophobicContact CD1-CG2 3.89Å
176L94.4Very high93.1Very high36 Ų3637 Ų3719%0.18819%0.185CC..Hα-helixtrans-63.4-27.8-175.6-72.6174.4000113.9T172 D173 S178 A185 W216T172-L176 HydrophobicContact CG2-CD1 3.71Å; T172-L176 HydrophobicContact CG2-CG 4.1Å; T172-L176 WeakPolarHBondContact O-CB 3.29Å; T172-L176 WeakPolarHBondContact O-CG 3.4Å; T172-L176 PolarHBondContact O-N 2.81Å; D173-L176 PolarHBondContact O-N 3.33Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-A185 HydrophobicContact CD2-CB 3.65Å; L176-A185 HydrophobicContact CG-CB 3.86Å; L176-W216 HydrophobicContact CD1-CD2 4.08Å; L176-W216 HydrophobicContact CD1-CE3 4.14Å; L176-W216 HydrophobicContact CD1-CH2 4.32Å; L176-W216 HydrophobicContact CD1-CZ2 4.26Å; L176-W216 HydrophobicContact CD1-CZ3 4.25Å; L176-W216 HydrophobicContact CD2-CD2 4.29Å; L176-W216 HydrophobicContact CD2-CZ2 3.75Å; L176-W216 HydrophobicContact CG-CZ2 4.35Å
177R89.5Confident92.9Very high45 Ų4539 Ų3917%0.1720%0.2CC..THydrogen-bonded Turntrans-82.3-9176.9-69.9169-174.7168.82.9113.4F6 M37 D173 L175 D207F6-R177 VanDerWaalsContact CD2-NH1 3.27Å; M37-R177 HydrophobicContact CE-CB 3.38Å; M37-R177 HydrophobicContact CE-CG 4.37Å; D173-R177 VanDerWaalsContact O-CB 3.29Å; D173-R177 WeakPolarHBondContact O-CB 3.26Å; D173-R177 WeakPolarHBondContact O-CD 3.47Å; D173-R177 WeakPolarHBondContact O-CG 3.27Å; D173-R177 PolarHBondContact O-N 2.88Å; D173-R177 IonicContact OD1-NH2 3.4Å; L175-R177 PolarHBondContact O-N 3.5Å; R177-D207 IonicContact CZ-OD1 3.97Å; R177-D207 IonicContact NH1-OD1 2.75Å; R177-D207 IonicContact NH2-OD1 2.67Å; R177-D207 PolarHBondContact NH2-OD1 3.26Å; R177-D207 IonicContact NH2-OD2 2.67Å; R177-D207 PolarHBondContact NH2-OD2 2.89Å
178S86.9Confident92.8Very high7 Ų739.1 Ų39.15%0.04920%0.2CC..SBendtrans-88.8142.1176.8-59.50000110.7M37 D38 A174 L175 L176 E180 G181M37-S178 WeakPolarHBondContact CB-OG 3.32Å; M37-S178 PolarHBondContact N-OG 2.74Å; D38-S178 PolarHBondContact N-OG 3.26Å; A174-S178 PolarHBondContact O-OG 2.94Å; L175-S178 WeakPolarHBondContact O-CB 3.18Å; L175-S178 PolarHBondContact O-N 2.94Å; L176-S178 VanDerWaalsContact C-N 3.3Å; S178-E180 PolarHBondContact O-N 3.45Å; S178-G181 PolarHBondContact O-N 2.9Å
179K79.4Confident92.7Very high208 Ų20839.1 Ų39.190%0.90420%0.2SC*.THydrogen-bonded Turntrans-53.6-34.2-172.5-169.2179.7-179.9-175.80114.6
180E80.6Confident92.5Very high135 Ų13540.6 Ų40.663%0.63121%0.205SC*.THydrogen-bonded Turntrans-115.913.9-177.6-64.1172.9-178.500112.2K39 S178K39-E180 IonicContact NZ-OE2 3.5Å; S178-E180 PolarHBondContact O-N 3.45Å
181G88.1Confident92.5Very high0 Ų040.8 Ų40.80%020%0.202CC..  trans-91.7-8.6-170.600000115.3L175 S178 K184 A185L175-G181 CarbonylContact O-C 3.53Å; L175-G181 WeakPolarHBondContact O-CA 3.46Å; S178-G181 PolarHBondContact O-N 2.9Å; G181-K184 WeakPolarHBondContact O-CB 3.44Å; G181-K184 PolarHBondContact O-N 2.97Å; G181-A185 WeakPolarHBondContact O-CB 3.22Å; G181-A185 PolarHBondContact O-N 3.1Å
182A91.8Very high92.4Very high51 Ų5139.8 Ų39.842%0.42120%0.196SC..Hα-helixtrans-60.8-48.5-178.600000113.2K184 A185 A186A182-K184 VanDerWaalsContact C-N 3.32Å; A182-K184 PolarHBondContact O-N 3.46Å; A182-A185 PolarHBondContact O-N 3.36Å; A182-A186 PolarHBondContact O-N 2.95Å
183E92.6Very high92.3Very high140 Ų14040 Ų4065%0.65420%0.197SC*.Hα-helixtrans-67.1-34.8176.8-70.5-56138.500112.1A186 S187E183-A186 PolarHBondContact O-N 3.46Å; E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 2.68Å
184K94.6Very high92.1Very high68 Ų6844.3 Ų44.330%0.29622%0.216SC..Hα-helixtrans-62.3-48.5173.1-67.9-179.7176.8177.40110.7D38 T152 L175 G181 A182 A186 S187 V188D38-K184 HydrophobicContact CB-CD 4.37Å; D38-K184 PolarHBondContact O-NZ 3.39Å; D38-K184 IonicContact OD2-NZ 2.6Å; D38-K184 PolarHBondContact OD2-NZ 2.66Å; T152-K184 HydrophobicContact CG2-CB 4.18Å; T152-K184 HydrophobicContact CG2-CG 4.42Å; L175-K184 HydrophobicContact CD2-CB 4.36Å; L175-K184 HydrophobicContact CD2-CD 4.47Å; G181-K184 WeakPolarHBondContact O-CB 3.44Å; G181-K184 PolarHBondContact O-N 2.97Å; A182-K184 VanDerWaalsContact C-N 3.32Å; A182-K184 PolarHBondContact O-N 3.46Å; K184-A186 VanDerWaalsContact C-N 3.32Å; K184-A186 PolarHBondContact O-N 2.86Å; K184-S187 WeakPolarHBondContact O-CB 3.3Å; K184-S187 PolarHBondContact O-N 2.94Å; K184-S187 VanDerWaalsContact O-N 3.16Å; K184-V188 VanDerWaalsContact O-CG2 3.27Å; K184-V188 WeakPolarHBondContact O-CG2 3.33Å; K184-V188 PolarHBondContact O-N 3.02Å
185A96.3Very high92.2Very high0 Ų043.8 Ų43.80%021%0.212CC..Hα-helixtrans-59.4-42.9177.900000111.8T172 L175 L176 G181 A182 V188 L189 W216T172-A185 HydrophobicContact CG2-CB 4.32Å; L175-A185 HydrophobicContact CB-CB 3.88Å; L175-A185 HydrophobicContact CD1-CB 4.3Å; L176-A185 HydrophobicContact CD2-CB 3.65Å; L176-A185 HydrophobicContact CG-CB 3.86Å; G181-A185 WeakPolarHBondContact O-CB 3.22Å; G181-A185 PolarHBondContact O-N 3.1Å; A182-A185 PolarHBondContact O-N 3.36Å; A185-V188 PolarHBondContact O-N 2.77Å; A185-L189 PolarHBondContact O-N 3.37Å; A185-W216 HydrophobicContact CB-CH2 3.93Å; A185-W216 HydrophobicContact CB-CZ2 3.57Å
186A94.7Very high92.1Very high6 Ų643.2 Ų43.25%0.0521%0.209CC..Hα-helixtrans-65-39.6176.200000112A182 E183 K184 L189 R190 A220A182-A186 PolarHBondContact O-N 2.95Å; E183-A186 PolarHBondContact O-N 3.46Å; K184-A186 VanDerWaalsContact C-N 3.32Å; K184-A186 PolarHBondContact O-N 2.86Å; A186-L189 PolarHBondContact O-N 2.88Å; A186-R190 WeakPolarHBondContact O-CG 3.42Å; A186-R190 PolarHBondContact O-N 2.95Å; A186-R190 VanDerWaalsContact O-N 3.16Å; A186-A220 HydrophobicContact CB-CB 4.03Å
187S94.2Very high92Very high44 Ų4443 Ų4331%0.30821%0.206SC..Hα-helixtrans-61.7-46.2173.2-175.60000112E183 K184 L189 R190 Q191E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 2.68Å; K184-S187 WeakPolarHBondContact O-CB 3.3Å; K184-S187 PolarHBondContact O-N 2.94Å; K184-S187 VanDerWaalsContact O-N 3.16Å; S187-L189 PolarHBondContact O-N 3.1Å; S187-R190 PolarHBondContact O-N 3.48Å; S187-Q191 WeakPolarHBondContact O-CG 3.32Å; S187-Q191 PolarHBondContact O-N 2.67Å; S187-Q191 PolarHBondContact OG-NE2 3.14Å; S187-Q191 VanDerWaalsContact OG-NE2 3.13Å
188V96.6Very high91.8Very high1 Ų147.5 Ų47.51%0.00622%0.223CC..Hα-helixtrans-58.4-48.3177171.80000110.6M92 C151 T152 L175 K184 A185 R190 Q191 C192M92-V188 HydrophobicContact CE-CG1 3.87Å; M92-V188 HydrophobicContact SD-CG1 3.71Å; C151-V188 HydrophobicContact CB-CG1 4.2Å; C151-V188 HydrophobicContact CB-CG2 4.23Å; C151-V188 VanDerWaalsContact SG-CG2 3.59Å; T152-V188 HydrophobicContact CG2-CG2 3.81Å; L175-V188 HydrophobicContact CD1-CG2 3.89Å; K184-V188 VanDerWaalsContact O-CG2 3.27Å; K184-V188 WeakPolarHBondContact O-CG2 3.33Å; K184-V188 PolarHBondContact O-N 3.02Å; A185-V188 PolarHBondContact O-N 2.77Å; V188-R190 VanDerWaalsContact C-N 3.34Å; V188-R190 PolarHBondContact O-N 3.23Å; V188-Q191 PolarHBondContact O-N 3.43Å; V188-C192 PolarHBondContact O-N 3.1Å; V188-C192 PolarHBondContact O-SG 2.67Å
189L96.3Very high91.9Very high1 Ų151.3 Ų51.31%0.00525%0.249CC..Hα-helixtrans-56-48.1178179.164.9000111.7A185 A186 S187 Q191 C192 L193 L202 W216 L217 A220 A221 V249A185-L189 PolarHBondContact O-N 3.37Å; A186-L189 PolarHBondContact O-N 2.88Å; S187-L189 PolarHBondContact O-N 3.1Å; L189-Q191 VanDerWaalsContact C-N 3.32Å; L189-Q191 PolarHBondContact O-N 3.16Å; L189-C192 WeakPolarHBondContact O-CB 3.34Å; L189-C192 PolarHBondContact O-N 3.4Å; L189-L193 HydrophobicContact CG-CD1 4.31Å; L189-L193 WeakPolarHBondContact O-CG 3.46Å; L189-L193 PolarHBondContact O-N 3.2Å; L189-L202 HydrophobicContact CD1-CD2 3.63Å; L189-W216 HydrophobicContact CB-CH2 4.39Å; L189-W216 HydrophobicContact CD2-CH2 4.42Å; L189-W216 HydrophobicContact CD2-CZ3 4.37Å; L189-L217 HydrophobicContact CD1-CD2 3.9Å; L189-L217 HydrophobicContact CD2-CD2 3.84Å; L189-A220 HydrophobicContact CD2-CB 3.59Å; L189-A221 HydrophobicContact CD2-CB 4.32Å; L189-V249 HydrophobicContact CD1-CG1 4.49Å
190R93.3Very high92.5Very high50 Ų5041.4 Ų41.419%0.18921%0.206CC..Hα-helixtrans-63.1-39.3179.6-68.2173.6-162.2131.40.1112.1A186 S187 V188 L193 K194 A220 G223 L226A186-R190 WeakPolarHBondContact O-CG 3.42Å; A186-R190 PolarHBondContact O-N 2.95Å; A186-R190 VanDerWaalsContact O-N 3.16Å; S187-R190 PolarHBondContact O-N 3.48Å; V188-R190 VanDerWaalsContact C-N 3.34Å; V188-R190 PolarHBondContact O-N 3.23Å; R190-L193 PolarHBondContact O-N 2.83Å; R190-K194 WeakPolarHBondContact O-CB 3.26Å; R190-K194 PolarHBondContact O-N 3.48Å; R190-A220 PolarHBondContact NE-O 2.95Å; R190-A220 PolarHBondContact NH2-O 3.41Å; R190-G223 WeakPolarHBondContact CD-O 3.21Å; R190-L226 HydrophobicContact CB-CD1 4.42Å
191Q94.8Very high93.2Very high17 Ų1735.2 Ų35.28%0.07918%0.177CC..Hα-helixtrans-67.1-42.8176.3-70.1-179.45500111.7T152 Q153 L154 D155 S187 V188 L189 L193 K194 V195T152-Q191 VanDerWaalsContact C-NE2 3.31Å; T152-Q191 PolarHBondContact O-NE2 3.47Å; T152-Q191 PolarHBondContact O-OE1 2.91Å; Q153-Q191 VanDerWaalsContact C-OE1 3.31Å; L154-Q191 HydrophobicContact CB-CB 4.06Å; D155-Q191 HydrophobicContact CB-CB 4.43Å; D155-Q191 HydrophobicContact CB-CG 4.18Å; D155-Q191 VanDerWaalsContact N-OE1 3.16Å; D155-Q191 PolarHBondContact OD1-OE1 3.2Å; S187-Q191 WeakPolarHBondContact O-CG 3.32Å; S187-Q191 PolarHBondContact O-N 2.67Å; S187-Q191 PolarHBondContact OG-NE2 3.14Å; S187-Q191 VanDerWaalsContact OG-NE2 3.13Å; V188-Q191 PolarHBondContact O-N 3.43Å; L189-Q191 VanDerWaalsContact C-N 3.32Å; L189-Q191 PolarHBondContact O-N 3.16Å; Q191-L193 VanDerWaalsContact C-N 3.32Å; Q191-L193 PolarHBondContact O-N 3.06Å; Q191-K194 WeakPolarHBondContact O-CB 3.25Å; Q191-K194 PolarHBondContact O-N 2.69Å; Q191-K194 VanDerWaalsContact O-N 3.13Å; Q191-V195 WeakPolarHBondContact O-CG1 3.41Å; Q191-V195 WeakPolarHBondContact O-CG2 3.01Å; Q191-V195 PolarHBondContact O-N 2.99Å
192C96.1Very high93.7Very high1 Ų135.2 Ų35.21%0.00718%0.178CC..Hα-helixtrans-52.7-50.5171.4-72.50000111L154 I166 V188 L189 K194 V195 L196 L202L154-C192 VanDerWaalsContact CD1-SG 3.5Å; I166-C192 HydrophobicContact CD1-CB 3.69Å; V188-C192 PolarHBondContact O-N 3.1Å; V188-C192 PolarHBondContact O-SG 2.67Å; L189-C192 WeakPolarHBondContact O-CB 3.34Å; L189-C192 PolarHBondContact O-N 3.4Å; C192-K194 VanDerWaalsContact C-N 3.3Å; C192-K194 PolarHBondContact O-N 2.71Å; C192-V195 WeakPolarHBondContact O-CG2 3.41Å; C192-V195 PolarHBondContact O-N 2.6Å; C192-L196 WeakPolarHBondContact O-CB 2.94Å; C192-L196 WeakPolarHBondContact O-CG 3.06Å; C192-L196 PolarHBondContact O-N 2.95Å; C192-L202 HydrophobicContact CB-CD2 4.26Å
193L93.9Very high94Very high4 Ų432.9 Ų32.92%0.02116%0.158CC..Hα-helixtrans-62.7-34.9178.9-65.5174.7000113L189 R190 Q191 A221 A229 V249 A251L189-L193 HydrophobicContact CG-CD1 4.31Å; L189-L193 WeakPolarHBondContact O-CG 3.46Å; L189-L193 PolarHBondContact O-N 3.2Å; R190-L193 PolarHBondContact O-N 2.83Å; Q191-L193 VanDerWaalsContact C-N 3.32Å; Q191-L193 PolarHBondContact O-N 3.06Å; L193-A221 HydrophobicContact CD1-CB 3.85Å; L193-A229 HydrophobicContact CD1-CB 4.14Å; L193-A229 HydrophobicContact CD2-CB 4.48Å; L193-V249 HydrophobicContact CD2-CG1 3.82Å; L193-A251 HydrophobicContact CB-CB 4.36Å; L193-A251 HydrophobicContact CD2-CB 4.09Å
194K92.5Very high94.3Very high92 Ų9226.3 Ų26.340%0.413%0.127SC..Hα-helixtrans-69.9-41.2177.1178.9179.7171.5-173.40112.9D155 P160 S161 R190 Q191 C192D155-K194 HydrophobicContact CB-CD 4.02Å; D155-K194 IonicContact OD2-NZ 3.56Å; D155-K194 PolarHBondContact OD2-NZ 3.46Å; P160-K194 WeakPolarHBondContact CA-O 3.07Å; S161-K194 PolarHBondContact N-O 3Å; S161-K194 VanDerWaalsContact N-O 3.16Å; R190-K194 WeakPolarHBondContact O-CB 3.26Å; R190-K194 PolarHBondContact O-N 3.48Å; Q191-K194 WeakPolarHBondContact O-CB 3.25Å; Q191-K194 PolarHBondContact O-N 2.69Å; Q191-K194 VanDerWaalsContact O-N 3.13Å; C192-K194 VanDerWaalsContact C-N 3.3Å; C192-K194 PolarHBondContact O-N 2.71Å
195V94.7Very high94.4Very high0 Ų023.1 Ų23.10%011%0.113CC..Hα-helixtrans-83.2-20.1-177.2-56.80000112.5D155 S161 S162 L163 I166 Q191 C192D155-V195 HydrophobicContact CB-CG1 4.15Å; S161-V195 CarbonylContact C-O 3.59Å; S161-V195 WeakPolarHBondContact CA-O 3.39Å; S161-V195 PolarHBondContact N-O 3.01Å; S162-V195 PolarHBondContact N-O 3.05Å; L163-V195 HydrophobicContact CD1-CG2 3.79Å; L163-V195 HydrophobicContact CG-CG2 4.41Å; L163-V195 PolarHBondContact N-O 3.2Å; I166-V195 HydrophobicContact CD1-CG2 3.94Å; Q191-V195 WeakPolarHBondContact O-CG1 3.41Å; Q191-V195 WeakPolarHBondContact O-CG2 3.01Å; Q191-V195 PolarHBondContact O-N 2.99Å; C192-V195 WeakPolarHBondContact O-CG2 3.41Å; C192-V195 PolarHBondContact O-N 2.6Å
196L93.8Very high94.4Very high1 Ų123.1 Ų23.11%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-67.1138.8170.9-78.1169.5000111.1S161 L163 I166 C192 L202S161-L196 WeakPolarHBondContact CA-O 3.41Å; S161-L196 PolarHBondContact OG-O 2.8Å; L163-L196 HydrophobicContact CB-CD2 4.32Å; I166-L196 HydrophobicContact CD1-CD1 4.15Å; I166-L196 HydrophobicContact CD1-CD2 4.01Å; I166-L196 HydrophobicContact CD1-CG 3.75Å; I166-L196 HydrophobicContact CG1-CD2 3.86Å; I166-L196 HydrophobicContact CG1-CG 4.19Å; C192-L196 WeakPolarHBondContact O-CB 2.94Å; C192-L196 WeakPolarHBondContact O-CG 3.06Å; C192-L196 PolarHBondContact O-N 2.95Å; L196-L202 HydrophobicContact CD1-CB 4.02Å
197R91.3Very high94.4Very high33 Ų3323.4 Ų23.413%0.12511%0.114CC..EExtended strand (participates in β ladder)trans-67.2166.8166.971.5-172.8158.5170.4-6.8110.3L163 D164 S199 G200L163-R197 WeakPolarHBondContact O-CG 3.1Å; L163-R197 PolarHBondContact O-N 3.04Å; D164-R197 VanDerWaalsContact CG-NH1 3.32Å; D164-R197 PolarHBondContact O-NH2 2.75Å; D164-R197 WeakPolarHBondContact OD1-CD 3.25Å; D164-R197 IonicContact OD1-CZ 3.8Å; D164-R197 IonicContact OD1-NE 3.85Å; D164-R197 PolarHBondContact OD1-NE 2.91Å; D164-R197 IonicContact OD1-NH1 2.79Å; D164-R197 PolarHBondContact OD1-NH1 3.08Å; D164-R197 IonicContact OD1-NH2 2.79Å; R197-S199 VanDerWaalsContact C-N 3.27Å; R197-S199 WeakPolarHBondContact CD-OG 3.47Å; R197-S199 PolarHBondContact O-N 2.96Å; R197-S199 VanDerWaalsContact O-N 3.16Å; R197-G200 VanDerWaalsContact CG-N 3.28Å; R197-G200 WeakPolarHBondContact O-CA 3.05Å; R197-G200 PolarHBondContact O-N 3.37Å
198R85.9Confident94.5Very high139 Ų13922.9 Ų22.953%0.52511%0.107SC..EExtended strand (participates in β ladder)trans-53.1-38.4176.8-60.5-174.456.3100.213.3115.1H253 D254R198-H253 HydrophobicContact CG-CB 4.01Å; R198-H253 VanDerWaalsContact CG-CD2 3.49Å; R198-H253 WeakPolarHBondContact CG-CD2 3.15Å; R198-H253 VanDerWaalsContact CZ-CB 3.5Å; R198-H253 VanDerWaalsContact CZ-O 3.29Å; R198-H253 PolarHBondContact NH1-O 3.4Å; R198-H253 PolarHBondContact NH2-O 3.22Å; R198-D254 PolarHBondContact NH1-O 2.97Å
199S88.1Confident94.4Very high87 Ų8726.4 Ų26.461%0.60813%0.126SC*.EExtended strand (participates in β ladder)trans-95.510.2177.157.20000113.4R197R197-S199 VanDerWaalsContact C-N 3.27Å; R197-S199 WeakPolarHBondContact CD-OG 3.47Å; R197-S199 PolarHBondContact O-N 2.96Å; R197-S199 VanDerWaalsContact O-N 3.16Å
200G92.4Very high94.4Very high0 Ų027.4 Ų27.40%013%0.132CC..EExtended strand (participates in β ladder)trans-85.1163.5-179.600000111.6D164 R197D164-G200 WeakPolarHBondContact O-CA 3.33Å; R197-G200 VanDerWaalsContact CG-N 3.28Å; R197-G200 WeakPolarHBondContact O-CA 3.05Å; R197-G200 PolarHBondContact O-N 3.37Å
201S95.4Very high94.4Very high4 Ų431.7 Ų31.73%0.02816%0.159CC..EExtended strand (participates in β ladder)trans-140.6147.1179.1-54.80000110.9F76 D164 L165 I166 T250F76-S201 WeakPolarHBondContact CE1-OG 3.31Å; D164-S201 PolarHBondContact O-N 3.23Å; L165-S201 WeakPolarHBondContact CA-O 3.42Å; I166-S201 PolarHBondContact N-O 3.21Å; S201-T250 VanDerWaalsContact OG-CG2 3.26Å; S201-T250 WeakPolarHBondContact OG-CG2 3.47Å
202L97.8Very high94.4Very high1 Ų133.2 Ų33.21%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-97.7127.2162.1167.565.3000107.7I166 D168 L189 C192 L196 Q204 Q248 V249I166-L202 HydrophobicContact CB-CD1 3.79Å; I166-L202 HydrophobicContact CG2-CD1 3.56Å; I166-L202 CarbonylContact O-C 3.56Å; I166-L202 WeakPolarHBondContact O-CA 3.29Å; D168-L202 HydrophobicContact CB-CD1 4.11Å; L189-L202 HydrophobicContact CD1-CD2 3.63Å; C192-L202 HydrophobicContact CB-CD2 4.26Å; L196-L202 HydrophobicContact CD1-CB 4.02Å; L202-Q204 HydrophobicContact CD1-CG 4.23Å; L202-Q204 HydrophobicContact CD2-CG 4Å; L202-Q204 HydrophobicContact CG-CG 3.94Å; L202-Q248 CarbonylContact O-C 3.58Å; L202-Q248 WeakPolarHBondContact O-CA 3.38Å; L202-V249 HydrophobicContact CB-CB 4.25Å; L202-V249 HydrophobicContact CD2-CB 4.47Å; L202-V249 HydrophobicContact CD2-CG2 4.39Å; L202-V249 PolarHBondContact N-O 3Å; L202-V249 PolarHBondContact O-N 2.95Å
203L98.4Very high94.4Very high2 Ų233.3 Ų33.31%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-107.3114.1169.5-59.4-176.8000108.8I73 F76 L165 I166 D168 F205 Y247 Q248I73-L203 HydrophobicContact CG1-CD1 4.19Å; F76-L203 HydrophobicContact CD2-CD1 3.8Å; F76-L203 HydrophobicContact CE2-CD1 3.8Å; F76-L203 HydrophobicContact CE2-CD2 3.84Å; F76-L203 HydrophobicContact CE2-CG 4.33Å; F76-L203 HydrophobicContact CZ-CD2 3.86Å; L165-L203 HydrophobicContact CD1-CD1 3.96Å; L165-L203 HydrophobicContact CD1-CG 3.88Å; I166-L203 PolarHBondContact O-N 2.97Å; D168-L203 PolarHBondContact N-O 3.35Å; L203-F205 HydrophobicContact CB-CE2 4.14Å; L203-F205 HydrophobicContact CB-CZ 4.47Å; L203-Y247 CarbonylContact C-O 3.55Å; L203-Y247 WeakPolarHBondContact CA-O 3.36Å; L203-Q248 HydrophobicContact CD2-CB 3.85Å; L203-Q248 HydrophobicContact CD2-CG 3.88Å
204Q98.3Very high94.4Very high2 Ų235 Ų351%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-100.6123171.3-54.3-160.2-47.700110.5D168 T172 L202 R213 C246 Y247D168-Q204 HydrophobicContact CB-CG 4.16Å; D168-Q204 CarbonylContact O-C 3.56Å; D168-Q204 WeakPolarHBondContact O-CA 3.26Å; D168-Q204 PolarHBondContact OD2-NE2 2.9Å; T172-Q204 VanDerWaalsContact CB-NE2 3.32Å; T172-Q204 PolarHBondContact OG1-NE2 3.14Å; L202-Q204 HydrophobicContact CD1-CG 4.23Å; L202-Q204 HydrophobicContact CD2-CG 4Å; L202-Q204 HydrophobicContact CG-CG 3.94Å; Q204-R213 VanDerWaalsContact OE1-NH1 3.16Å; Q204-C246 CarbonylContact O-C 3.53Å; Q204-C246 WeakPolarHBondContact O-CA 3.35Å; Q204-Y247 PolarHBondContact N-O 3.2Å; Q204-Y247 PolarHBondContact O-N 2.68Å
205F98.1Very high94.4Very high0 Ų034.7 Ų34.70%019%0.189CC..EExtended strand (participates in β ladder)trans-102.1119.3172.8-68.1-71.2000109.6F63 F64 V69 F72 I73 V167 D168 K169 G170 L203 V236 Y245 C246F63-F205 WeakPolarHBondContact CE2-O 3.34Å; F64-F205 HydrophobicContact CE2-CB 4.3Å; F64-F205 HydrophobicContact CE2-CD1 4.4Å; F64-F205 HydrophobicContact CE2-CG 4.27Å; F64-F205 HydrophobicContact CZ-CB 3.66Å; F64-F205 AromaticContact CZ-CD1 3.85Å; F64-F205 HydrophobicContact CZ-CD1 3.85Å; F64-F205 AromaticContact CZ-CG 3.87Å; F64-F205 HydrophobicContact CZ-CG 3.87Å; V69-F205 HydrophobicContact CB-CD1 4.37Å; V69-F205 HydrophobicContact CB-CE1 3.72Å; V69-F205 HydrophobicContact CB-CE2 4.3Å; V69-F205 HydrophobicContact CB-CZ 3.68Å; V69-F205 HydrophobicContact CG1-CD1 3.59Å; V69-F205 HydrophobicContact CG1-CE1 3.32Å; V69-F205 HydrophobicContact CG1-CE2 4.48Å; V69-F205 HydrophobicContact CG1-CG 4.27Å; V69-F205 HydrophobicContact CG1-CZ 3.82Å; V69-F205 HydrophobicContact CG2-CE2 4.48Å; V69-F205 HydrophobicContact CG2-CZ 4.33Å; F72-F205 HydrophobicContact CB-CE1 4.08Å; F72-F205 HydrophobicContact CB-CZ 3.93Å; F72-F205 HydrophobicContact CG-CE1 4.22Å; I73-F205 HydrophobicContact CD1-CE2 4.2Å; I73-F205 HydrophobicContact CD1-CZ 4.43Å; I73-F205 HydrophobicContact CG1-CE2 4.23Å; I73-F205 HydrophobicContact CG1-CZ 4.17Å; V167-F205 HydrophobicContact CG1-CD2 4.04Å; V167-F205 HydrophobicContact CG1-CE2 3.84Å; D168-F205 PolarHBondContact O-N 3.39Å; K169-F205 HydrophobicContact CB-CB 4.4Å; K169-F205 HydrophobicContact CG-CB 4.2Å; G170-F205 PolarHBondContact N-O 3.41Å; L203-F205 HydrophobicContact CB-CE2 4.14Å; L203-F205 HydrophobicContact CB-CZ 4.47Å; F205-V236 HydrophobicContact CD1-CG2 3.96Å; F205-V236 HydrophobicContact CE1-CG2 4.13Å; F205-Y245 WeakPolarHBondContact CA-O 3.38Å; F205-C246 HydrophobicContact CD1-CB 3.88Å; F205-C246 HydrophobicContact CE1-CB 3.6Å; F205-C246 WeakPolarHBondContact CE1-SG 3.42Å; F205-C246 HydrophobicContact CZ-CB 4.5Å
206S96.5Very high94.4Very high0 Ų037.1 Ų37.10%020%0.198CC..EExtended strand (participates in β ladder)trans-151.6154.3-169.7175.50000111.7D173 E208 R213 Y244 Y245D173-S206 VanDerWaalsContact CG-OG 3.28Å; D173-S206 PolarHBondContact OD1-OG 3.19Å; D173-S206 WeakPolarHBondContact OD2-CB 3.42Å; D173-S206 PolarHBondContact OD2-OG 3.33Å; S206-E208 WeakPolarHBondContact OG-CB 3.24Å; S206-E208 PolarHBondContact OG-N 3.18Å; S206-R213 PolarHBondContact OG-NH2 2.56Å; S206-Y244 WeakPolarHBondContact O-CA 3.24Å; S206-Y245 PolarHBondContact N-O 3.13Å; S206-Y245 PolarHBondContact O-N 3.35Å
207D94.2Very high94.4Very high13 Ų1337.1 Ų37.17%0.0720%0.198CC..SBendtrans-91.95.4167.260.3-31.1000112.9A5 R177 V242 Y244A5-D207 WeakPolarHBondContact CB-OD2 3.05Å; R177-D207 IonicContact CZ-OD1 3.97Å; R177-D207 IonicContact NH1-OD1 2.75Å; R177-D207 IonicContact NH2-OD1 2.67Å; R177-D207 PolarHBondContact NH2-OD1 3.26Å; R177-D207 IonicContact NH2-OD2 2.67Å; R177-D207 PolarHBondContact NH2-OD2 2.89Å; D207-V242 HydrophobicContact CB-CG1 3.61Å; D207-Y244 HydrophobicContact CB-CD1 3.88Å; D207-Y244 HydrophobicContact CB-CE1 3.69Å
208E95.9Very high94.4Very high32 Ų3239.9 Ų39.915%0.1521%0.213CC..SBendtrans-67.8143174.8-167.162.6-108.400110.6S206 A212 R213 Y245 Y247S206-E208 WeakPolarHBondContact OG-CB 3.24Å; S206-E208 PolarHBondContact OG-N 3.18Å; E208-A212 HydrophobicContact CG-CB 4.34Å; E208-R213 HydrophobicContact CB-CB 4.2Å; E208-R213 HydrophobicContact CG-CB 3.92Å; E208-Y245 VanDerWaalsContact O-CD2 3.26Å; E208-Y245 WeakPolarHBondContact O-CD2 3.49Å; E208-Y247 PolarHBondContact O-OH 3.46Å
209D94.6Very high94.6Very high76 Ų7637.6 Ų37.641%0.40621%0.214SC..  trans-68.9137.2-178.8-167.7-72.8000111D211 A212 R213D209-D211 PolarHBondContact O-N 3.11Å; D209-D211 WeakPolarHBondContact OD1-CB 3.47Å; D209-D211 PolarHBondContact OD1-N 3.4Å; D209-A212 PolarHBondContact O-N 2.6Å; D209-R213 PolarHBondContact O-N 3.15Å
210P95.9Very high94.7Very high22 Ų2233.7 Ų33.714%0.14319%0.187CC..Hα-helixtrans-53.1-35.8176.2-27.435.7000114.4A212 R213 L214 V233 Y245 Y247P210-A212 PolarHBondContact O-N 2.98Å; P210-R213 PolarHBondContact O-N 3.38Å; P210-L214 HydrophobicContact CB-CD1 4.27Å; P210-L214 VanDerWaalsContact O-CB 3.23Å; P210-L214 WeakPolarHBondContact O-CB 3.37Å; P210-L214 VanDerWaalsContact O-CG 3.27Å; P210-L214 WeakPolarHBondContact O-CG 3.46Å; P210-L214 PolarHBondContact O-N 3.49Å; P210-V233 HydrophobicContact CB-CG2 4.34Å; P210-V233 HydrophobicContact CG-CG2 4.14Å; P210-Y245 HydrophobicContact CG-CD1 3.72Å; P210-Y245 HydrophobicContact CG-CD2 4.23Å; P210-Y245 HydrophobicContact CG-CE1 3.63Å; P210-Y245 HydrophobicContact CG-CE2 4.15Å; P210-Y245 HydrophobicContact CG-CG 4.02Å; P210-Y247 VanDerWaalsContact CA-OH 3.31Å; P210-Y247 WeakPolarHBondContact CA-OH 3.49Å; P210-Y247 HydrophobicContact CB-CE1 4.42Å; P210-Y247 VanDerWaalsContact N-OH 3.17Å
211D94.1Very high94.5Very high140 Ų14033.7 Ų33.775%0.74919%0.187SC*.Hα-helixtrans-63.4-28.6178.7-72-11.2000111.8D209 V215D209-D211 PolarHBondContact O-N 3.11Å; D209-D211 WeakPolarHBondContact OD1-CB 3.47Å; D209-D211 PolarHBondContact OD1-N 3.4Å; D211-V215 VanDerWaalsContact O-CG2 3.31Å; D211-V215 WeakPolarHBondContact O-CG2 3.19Å
212A94.2Very high93.8Very high49 Ų4939.9 Ų39.941%0.40522%0.216SC..Hα-helixtrans-91.6-47.3176.400000112.2E208 D209 P210 W216E208-A212 HydrophobicContact CG-CB 4.34Å; D209-A212 PolarHBondContact O-N 2.6Å; P210-A212 PolarHBondContact O-N 2.98Å; A212-W216 PolarHBondContact O-N 2.91Å; A212-W216 VanDerWaalsContact O-N 3.13Å
213R95.5Very high92.2Very high2 Ų240.7 Ų40.71%0.00822%0.224CC..Hα-helixtrans-70.6-39.1-172.5-178.554.660.8114.57.6112.7D173 Q204 S206 E208 D209 P210 W216 L217 Y247D173-R213 IonicContact OD1-CZ 2.97Å; D173-R213 IonicContact OD1-NH1 3.77Å; D173-R213 IonicContact OD1-NH2 3.93Å; D173-R213 PolarHBondContact OD1-NH2 2.83Å; Q204-R213 VanDerWaalsContact OE1-NH1 3.16Å; S206-R213 PolarHBondContact OG-NH2 2.56Å; E208-R213 HydrophobicContact CB-CB 4.2Å; E208-R213 HydrophobicContact CG-CB 3.92Å; D209-R213 PolarHBondContact O-N 3.15Å; P210-R213 PolarHBondContact O-N 3.38Å; R213-W216 PolarHBondContact O-N 2.87Å; R213-L217 HydrophobicContact CG-CD1 3.85Å; R213-L217 HydrophobicContact CG-CG 4.27Å; R213-L217 WeakPolarHBondContact O-CB 3.34Å; R213-L217 VanDerWaalsContact O-CG 3.31Å; R213-L217 WeakPolarHBondContact O-CG 3.29Å; R213-L217 PolarHBondContact O-N 3.18Å; R213-Y247 HydrophobicContact CB-CD1 4.29Å; R213-Y247 HydrophobicContact CB-CE1 3.63Å; R213-Y247 HydrophobicContact CB-CE2 4Å; R213-Y247 VanDerWaalsContact CB-CZ 3.47Å; R213-Y247 HydrophobicContact CG-CD1 3.7Å; R213-Y247 HydrophobicContact CG-CD2 3.69Å; R213-Y247 HydrophobicContact CG-CE1 3.53Å; R213-Y247 HydrophobicContact CG-CE2 3.52Å; R213-Y247 HydrophobicContact CG-CG 3.78Å; R213-Y247 VanDerWaalsContact CG-CZ 3.44Å
214L93.9Very high90Very high41 Ų4148.7 Ų48.722%0.21526%0.262CS..Hα-helixtrans-62.5-50.2178.4-70.2175.1000111P210 W216 L217 E218 V231 V233 Y247P210-L214 HydrophobicContact CB-CD1 4.27Å; P210-L214 VanDerWaalsContact O-CB 3.23Å; P210-L214 WeakPolarHBondContact O-CB 3.37Å; P210-L214 VanDerWaalsContact O-CG 3.27Å; P210-L214 WeakPolarHBondContact O-CG 3.46Å; P210-L214 PolarHBondContact O-N 3.49Å; L214-W216 VanDerWaalsContact C-N 3.27Å; L214-W216 PolarHBondContact O-N 3.14Å; L214-L217 PolarHBondContact O-N 3.24Å; L214-L217 VanDerWaalsContact O-N 3.15Å; L214-E218 WeakPolarHBondContact O-CG 3.24Å; L214-E218 PolarHBondContact O-N 3Å; L214-V231 HydrophobicContact CD2-CB 4.23Å; L214-V231 HydrophobicContact CD2-CG1 3.43Å; L214-V231 VanDerWaalsContact CD2-CG1 3.43Å; L214-V233 HydrophobicContact CD1-CG1 4.03Å; L214-V233 HydrophobicContact CD2-CB 4.18Å; L214-V233 HydrophobicContact CD2-CG1 4.37Å; L214-Y247 HydrophobicContact CD2-CD1 3.96Å; L214-Y247 HydrophobicContact CD2-CE1 4.17Å; L214-Y247 HydrophobicContact CG-CD1 4.49Å; L214-Y247 HydrophobicContact CG-CE1 4.21Å
215V92.5Very high87.9Confident84 Ų8452.4 Ų52.451%0.50930%0.3SS..Hα-helixtrans-57.2-43.3178.31770000110.9D211 T219D211-V215 VanDerWaalsContact O-CG2 3.31Å; D211-V215 WeakPolarHBondContact O-CG2 3.19Å; V215-T219 VanDerWaalsContact O-CB 3.28Å; V215-T219 WeakPolarHBondContact O-CB 3.16Å; V215-T219 PolarHBondContact O-N 3.45Å; V215-T219 VanDerWaalsContact O-N 3.07Å; V215-T219 PolarHBondContact O-OG1 2.76Å
216W94.6Very high85.9Confident52 Ų5255 Ų5520%0.19731%0.314CS..Hα-helixtrans-64.7-46.8177.317980.5000112.5T172 L176 A185 L189 A212 R213 L214 T219 A220T172-W216 HydrophobicContact CG2-CH2 3.62Å; T172-W216 HydrophobicContact CG2-CZ3 3.73Å; L176-W216 HydrophobicContact CD1-CD2 4.08Å; L176-W216 HydrophobicContact CD1-CE3 4.14Å; L176-W216 HydrophobicContact CD1-CH2 4.32Å; L176-W216 HydrophobicContact CD1-CZ2 4.26Å; L176-W216 HydrophobicContact CD1-CZ3 4.25Å; L176-W216 HydrophobicContact CD2-CD2 4.29Å; L176-W216 HydrophobicContact CD2-CZ2 3.75Å; L176-W216 HydrophobicContact CG-CZ2 4.35Å; A185-W216 HydrophobicContact CB-CH2 3.93Å; A185-W216 HydrophobicContact CB-CZ2 3.57Å; L189-W216 HydrophobicContact CB-CH2 4.39Å; L189-W216 HydrophobicContact CD2-CH2 4.42Å; L189-W216 HydrophobicContact CD2-CZ3 4.37Å; A212-W216 PolarHBondContact O-N 2.91Å; A212-W216 VanDerWaalsContact O-N 3.13Å; R213-W216 PolarHBondContact O-N 2.87Å; L214-W216 VanDerWaalsContact C-N 3.27Å; L214-W216 PolarHBondContact O-N 3.14Å; W216-T219 PolarHBondContact O-N 3.35Å; W216-A220 HydrophobicContact CZ2-CB 4.17Å; W216-A220 WeakPolarHBondContact O-CB 3.34Å; W216-A220 PolarHBondContact O-N 3.39Å
217L94.8Very high84.2Confident0 Ų056.2 Ų56.20%032%0.324CS..Hα-helixtrans-60.6-48-179.8-78.8171.6000111.9L189 R213 L214 T219 A220 A221 V231 Y247 V249L189-L217 HydrophobicContact CD1-CD2 3.9Å; L189-L217 HydrophobicContact CD2-CD2 3.84Å; R213-L217 HydrophobicContact CG-CD1 3.85Å; R213-L217 HydrophobicContact CG-CG 4.27Å; R213-L217 WeakPolarHBondContact O-CB 3.34Å; R213-L217 VanDerWaalsContact O-CG 3.31Å; R213-L217 WeakPolarHBondContact O-CG 3.29Å; R213-L217 PolarHBondContact O-N 3.18Å; L214-L217 PolarHBondContact O-N 3.24Å; L214-L217 VanDerWaalsContact O-N 3.15Å; L217-T219 PolarHBondContact O-N 3.27Å; L217-A220 PolarHBondContact O-N 3.49Å; L217-A221 WeakPolarHBondContact O-CB 3.26Å; L217-A221 PolarHBondContact O-N 3.16Å; L217-V231 HydrophobicContact CB-CG1 4.14Å; L217-V231 HydrophobicContact CB-CG2 4.01Å; L217-V231 HydrophobicContact CD1-CG1 3.65Å; L217-Y247 HydrophobicContact CD1-CD1 4.06Å; L217-Y247 HydrophobicContact CD1-CG 4.02Å; L217-V249 HydrophobicContact CD1-CG2 3.98Å; L217-V249 HydrophobicContact CD2-CG2 3.96Å
218E91.1Very high83Confident92 Ų9258.3 Ų58.343%0.4334%0.343SS..Hα-helixtrans-61-45.7178.4-69.7172.8171.100111.2L214 Q222 V231L214-E218 WeakPolarHBondContact O-CG 3.24Å; L214-E218 PolarHBondContact O-N 3Å; E218-Q222 VanDerWaalsContact O-CG 3.29Å; E218-Q222 WeakPolarHBondContact O-CG 3.45Å; E218-Q222 PolarHBondContact O-N 3.38Å; E218-V231 HydrophobicContact CG-CG2 4.01Å
219T90.3Very high82.2Confident90 Ų9057.5 Ų57.555%0.55234%0.342SS*.Hα-helixtrans-65.9-45.7179.6-57.10000111.6V215 W216 L217 A221 Q222V215-T219 VanDerWaalsContact O-CB 3.28Å; V215-T219 WeakPolarHBondContact O-CB 3.16Å; V215-T219 PolarHBondContact O-N 3.45Å; V215-T219 VanDerWaalsContact O-N 3.07Å; V215-T219 PolarHBondContact O-OG1 2.76Å; W216-T219 PolarHBondContact O-N 3.35Å; L217-T219 PolarHBondContact O-N 3.27Å; T219-A221 VanDerWaalsContact C-N 3.35Å; T219-A221 PolarHBondContact O-N 3.41Å; T219-Q222 PolarHBondContact O-N 2.92Å
220A91.3Very high81.9Confident5 Ų557.9 Ų57.94%0.04134%0.344CS..Hα-helixtrans-68.2-35.1-177.400000112.1A186 L189 R190 W216 L217 Q222 G223A186-A220 HydrophobicContact CB-CB 4.03Å; L189-A220 HydrophobicContact CD2-CB 3.59Å; R190-A220 PolarHBondContact NE-O 2.95Å; R190-A220 PolarHBondContact NH2-O 3.41Å; W216-A220 HydrophobicContact CZ2-CB 4.17Å; W216-A220 WeakPolarHBondContact O-CB 3.34Å; W216-A220 PolarHBondContact O-N 3.39Å; L217-A220 PolarHBondContact O-N 3.49Å; A220-Q222 PolarHBondContact O-N 2.72Å; A220-G223 PolarHBondContact O-N 3.25Å
221A87.3Confident81.7Confident1 Ų158.3 Ų58.31%0.00835%0.346CS..Hα-helixtrans-68-28.7178.500000113.8L189 L193 L217 T219 G223 A229L189-A221 HydrophobicContact CD2-CB 4.32Å; L193-A221 HydrophobicContact CD1-CB 3.85Å; L217-A221 WeakPolarHBondContact O-CB 3.26Å; L217-A221 PolarHBondContact O-N 3.16Å; T219-A221 VanDerWaalsContact C-N 3.35Å; T219-A221 PolarHBondContact O-N 3.41Å; A221-G223 PolarHBondContact O-N 2.95Å; A221-A229 HydrophobicContact CB-CB 3.65Å
222Q80.4Confident81.7Confident134 Ų13453.3 Ų53.363%0.62633%0.328SS*.THydrogen-bonded Turntrans-71.6-9.1-180-72.1170.514.400114.3E218 T219 A220E218-Q222 VanDerWaalsContact O-CG 3.29Å; E218-Q222 WeakPolarHBondContact O-CG 3.45Å; E218-Q222 PolarHBondContact O-N 3.38Å; T219-Q222 PolarHBondContact O-N 2.92Å; A220-Q222 PolarHBondContact O-N 2.72Å
223G63.4Low81.9Confident18 Ų1853.6 Ų53.619%0.18632%0.324CS..THydrogen-bonded Turntrans-74.1128.3178.800000112.8R190 A220 A221R190-G223 WeakPolarHBondContact CD-O 3.21Å; A220-G223 PolarHBondContact O-N 3.25Å; A221-G223 PolarHBondContact O-N 2.95Å
224Q54Low82Confident169 Ų16958.7 Ų58.779%0.7935%0.348SS*.THydrogen-bonded Turntrans83.738.9169.1-49-168.8-100118.6L226Q224-L226 PolarHBondContact O-N 3.11Å; Q224-L226 VanDerWaalsContact O-N 3.08Å
225G53.6Low82.1Confident80 Ų8062.6 Ų62.683%0.82537%0.365SS*.SBendtrans67.315.1167.700000114.7
226L56.6Low82.3Confident55 Ų5559.9 Ų59.929%0.28835%0.349SS..PPolyproline II helixtrans-71.3140.1159.1-70.1161.9000107.5R190 Q224R190-L226 HydrophobicContact CB-CD1 4.42Å; Q224-L226 PolarHBondContact O-N 3.11Å; Q224-L226 VanDerWaalsContact O-N 3.08Å
227A60.4Low82.2Confident25 Ų2558.2 Ų58.221%0.20735%0.348CS..PPolyproline II helixtrans-61.9160.3169.500000109.2H252A227-H252 HydrophobicContact CB-CB 3.74Å; A227-H252 WeakPolarHBondContact CB-O 3.1Å
228A67.6Low82Confident58 Ų5862.9 Ų62.948%0.47938%0.376SS..PPolyproline II helixtrans-47.8145.3179.600000110.8H252A228-H252 WeakPolarHBondContact O-CB 3.5Å; A228-H252 PolarHBondContact O-CD2 3.37Å; A228-H252 PolarHBondContact O-N 3.34Å
229A79.8Confident81.7Confident14 Ų1461.1 Ų61.112%0.11637%0.369CS..EExtended strand (participates in β ladder)trans-92.8139.9169.300000108.6L193 A221 V249 T250L193-A229 HydrophobicContact CD1-CB 4.14Å; L193-A229 HydrophobicContact CD2-CB 4.48Å; A221-A229 HydrophobicContact CB-CB 3.65Å; A229-V249 HydrophobicContact CB-CG1 3.8Å; A229-T250 CarbonylContact C-O 3.6Å; A229-T250 VanDerWaalsContact CA-O 3.3Å; A229-T250 WeakPolarHBondContact CA-O 3.42Å
230D88.2Confident81.4Confident85 Ų8562.7 Ų62.746%0.45537%0.365SS..EExtended strand (participates in β ladder)trans-79.7130.9165.4-69.3-29.4000108.3V249 T250 H252D230-V249 WeakPolarHBondContact O-CA 3.49Å; D230-T250 PolarHBondContact N-O 2.91Å; D230-T250 PolarHBondContact O-N 3.09Å; D230-H252 IonicContact OD1-CD2 3.58Å; D230-H252 IonicContact OD1-CE1 3.41Å; D230-H252 IonicContact OD1-NE2 3.16Å; D230-H252 PolarHBondContact OD1-NE2 2.78Å; D230-H252 IonicContact OD2-CD2 3.54Å; D230-H252 IonicContact OD2-CE1 2.66Å; D230-H252 PolarHBondContact OD2-CE1 2.7Å; D230-H252 IonicContact OD2-NE2 2.72Å; D230-H252 PolarHBondContact OD2-NE2 3.26Å
231V92.7Very high81.1Confident31 Ų3165.6 Ų65.619%0.18840%0.395CS..EExtended strand (participates in β ladder)trans-119.3118.9177.1-169.80000108.6L214 L217 E218 Q248 V249L214-V231 HydrophobicContact CD2-CB 4.23Å; L214-V231 HydrophobicContact CD2-CG1 3.43Å; L214-V231 VanDerWaalsContact CD2-CG1 3.43Å; L217-V231 HydrophobicContact CB-CG1 4.14Å; L217-V231 HydrophobicContact CB-CG2 4.01Å; L217-V231 HydrophobicContact CD1-CG1 3.65Å; E218-V231 HydrophobicContact CG-CG2 4.01Å; V231-Q248 CarbonylContact C-O 3.59Å; V231-Q248 WeakPolarHBondContact CA-O 2.99Å; V231-V249 HydrophobicContact CG1-CG2 4.44Å; V231-V249 HydrophobicContact CG2-CG1 4.31Å
232G94.4Very high81.1Confident35 Ų3566 Ų6636%0.36140%0.398SS..EExtended strand (participates in β ladder)trans-108.3152169.600000110.7Y247 Q248G232-Y247 CarbonylContact O-C 3.53Å; G232-Y247 VanDerWaalsContact O-CA 3.31Å; G232-Y247 WeakPolarHBondContact O-CA 3.18Å; G232-Q248 PolarHBondContact N-O 3.31Å; G232-Q248 PolarHBondContact O-N 2.98Å
233V97.3Very high81.7Confident55 Ų5561.3 Ų61.333%0.33338%0.379SS..EExtended strand (participates in β ladder)trans-128.9141172.763.40000110.4P210 L214 Y245 C246 Y247P210-V233 HydrophobicContact CB-CG2 4.34Å; P210-V233 HydrophobicContact CG-CG2 4.14Å; L214-V233 HydrophobicContact CD1-CG1 4.03Å; L214-V233 HydrophobicContact CD2-CB 4.18Å; L214-V233 HydrophobicContact CD2-CG1 4.37Å; V233-Y245 HydrophobicContact CG2-CD1 4.24Å; V233-Y245 HydrophobicContact CG2-CG 4.45Å; V233-C246 WeakPolarHBondContact CA-O 3.5Å; V233-Y247 HydrophobicContact CB-CD1 3.91Å; V233-Y247 HydrophobicContact CB-CE1 3.94Å; V233-Y247 HydrophobicContact CG2-CD1 3.77Å; V233-Y247 HydrophobicContact CG2-CE1 3.45Å; V233-Y247 VanDerWaalsContact CG2-CE1 3.45Å
234Q97.6Very high83.2Confident109 Ų10960.6 Ų60.651%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-135.3139.9171.2-63.8178.747.900109.1F72 V236 Y245 C246F72-Q234 HydrophobicContact CE1-CB 3.8Å; Q234-V236 PolarHBondContact O-N 2.93Å; Q234-Y245 CarbonylContact O-C 3.56Å; Q234-Y245 WeakPolarHBondContact O-CA 3.27Å; Q234-C246 PolarHBondContact N-O 3.4Å; Q234-C246 PolarHBondContact O-N 3.22Å
235E97.3Very high85.3Confident123 Ų12354.5 Ų54.558%0.57534%0.341SS*.EExtended strand (participates in β ladder)trans-71.6127.3171.7-169.1-175.6139.500109.5Y245E235-Y245 HydrophobicContact CB-CD1 4.26Å; E235-Y245 HydrophobicContact CB-CE1 4.35Å; E235-Y245 HydrophobicContact CG-CD1 4.36Å; E235-Y245 HydrophobicContact CG-CE1 4.18Å
236V95.6Very high87.4Confident27 Ų2751 Ų5116%0.16430%0.304CS..EExtended strand (participates in β ladder)trans-79.7-37.5171.2176.70000109.9V69 F72 F205 Q234 Y244 C246V69-V236 HydrophobicContact CG1-CG1 3.97Å; V69-V236 HydrophobicContact CG1-CG2 4.47Å; F72-V236 HydrophobicContact CE1-CG2 4.44Å; F72-V236 HydrophobicContact CE2-CB 4.37Å; F72-V236 HydrophobicContact CE2-CG1 4.24Å; F72-V236 HydrophobicContact CE2-CG2 4.11Å; F72-V236 HydrophobicContact CZ-CB 4.37Å; F72-V236 HydrophobicContact CZ-CG2 4.04Å; F205-V236 HydrophobicContact CD1-CG2 3.96Å; F205-V236 HydrophobicContact CE1-CG2 4.13Å; Q234-V236 PolarHBondContact O-N 2.93Å; V236-Y244 WeakPolarHBondContact CB-O 3.43Å; V236-Y244 PolarHBondContact N-O 3.17Å; V236-C246 HydrophobicContact CG2-CB 3.91Å
237G92.2Very high89.4Confident17 Ų1748.3 Ų48.318%0.17529%0.29CS..EExtended strand (participates in β ladder)trans129.1-176.2175.800000112.3Y244G237-Y244 PolarHBondContact N-O 2.98Å; G237-Y244 PolarHBondContact O-N 2.89Å
238V91.1Very high91.1Very high97 Ų9749.8 Ų49.859%0.58829%0.292SS*.EExtended strand (participates in β ladder)trans-93.3113.7179.6-177.30000110.5V242 C243V238-V242 CarbonylContact C-O 3.57Å; V238-V242 VanDerWaalsContact CA-O 3.31Å; V238-V242 WeakPolarHBondContact CA-O 3.26Å; V238-C243 HydrophobicContact CG2-CB 4.34Å
239L85.1Confident92.4Very high56 Ų5647 Ų4729%0.29327%0.269SS..EExtended strand (participates in β ladder)trans-119.1123.1179.2-60170.1000108.9F64 A68 G241 V242 Y244F64-L239 HydrophobicContact CB-CD1 3.76Å; F64-L239 HydrophobicContact CD1-CD1 3.52Å; F64-L239 HydrophobicContact CE1-CD1 4.34Å; F64-L239 HydrophobicContact CG-CD1 3.87Å; A68-L239 HydrophobicContact CB-CD1 3.94Å; L239-G241 PolarHBondContact O-N 3.5Å; L239-G241 VanDerWaalsContact O-N 3.15Å; L239-V242 PolarHBondContact N-O 2.92Å; L239-V242 PolarHBondContact O-N 3.06Å; L239-Y244 HydrophobicContact CB-CD2 3.92Å; L239-Y244 HydrophobicContact CB-CE2 3.88Å; L239-Y244 HydrophobicContact CD1-CD2 4.13Å; L239-Y244 HydrophobicContact CG-CD2 4.31Å
240R82.9Confident92.9Very high123 Ų12347.8 Ų47.846%0.46427%0.273SS..THydrogen-bonded Turntrans51.736.3-176.9-55.8-178.1178.5151.66.8113.6S12 V242S12-R240 VanDerWaalsContact CB-O 3.26Å; S12-R240 WeakPolarHBondContact CB-O 3.38Å; S12-R240 PolarHBondContact OG-O 3.33Å; R240-V242 VanDerWaalsContact C-N 3.34Å
241G85.6Confident92.5Very high65 Ų6544.4 Ų44.467%0.6726%0.256SS*.THydrogen-bonded Turntrans79.710178.500000115.1L239L239-G241 PolarHBondContact O-N 3.5Å; L239-G241 VanDerWaalsContact O-N 3.15Å
242V86.6Confident91.2Very high11 Ų1146.9 Ų46.97%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-117.6131.1178.1179.60000108.7L8 T9 D207 V238 L239 R240 Y244L8-V242 HydrophobicContact CB-CG2 4.49Å; T9-V242 WeakPolarHBondContact OG1-CG2 3.45Å; D207-V242 HydrophobicContact CB-CG1 3.61Å; V238-V242 CarbonylContact C-O 3.57Å; V238-V242 VanDerWaalsContact CA-O 3.31Å; V238-V242 WeakPolarHBondContact CA-O 3.26Å; L239-V242 PolarHBondContact N-O 2.92Å; L239-V242 PolarHBondContact O-N 3.06Å; R240-V242 VanDerWaalsContact C-N 3.34Å; V242-Y244 HydrophobicContact CB-CD2 4.48Å; V242-Y244 HydrophobicContact CB-CE2 3.76Å; V242-Y244 HydrophobicContact CG1-CD2 4.35Å; V242-Y244 HydrophobicContact CG1-CE1 4.18Å; V242-Y244 HydrophobicContact CG1-CE2 3.8Å; V242-Y244 WeakPolarHBondContact O-CD2 3.47Å
243C92.8Very high89.5Confident35 Ų3547.4 Ų47.424%0.23626%0.259CS..EExtended strand (participates in β ladder)trans-80.3130.7174.2-165.40000109.3V238 Y245V238-C243 HydrophobicContact CG2-CB 4.34Å; C243-Y245 HydrophobicContact CB-CE2 4.36Å; C243-Y245 VanDerWaalsContact SG-CZ 3.56Å; C243-Y245 PolarHBondContact SG-OH 3.25Å
244Y95.4Very high87.2Confident3 Ų350.2 Ų50.21%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-117149.3177.1-69-82.5000111F63 F64 S206 D207 V236 G237 L239 V242F63-Y244 HydrophobicContact CB-CD1 4.24Å; F63-Y244 HydrophobicContact CB-CE1 3.57Å; F63-Y244 AromaticContact CD1-CE1 3.65Å; F63-Y244 HydrophobicContact CD1-CE1 3.65Å; F63-Y244 HydrophobicContact CD2-CD1 4.24Å; F63-Y244 AromaticContact CD2-CE1 3.88Å; F63-Y244 HydrophobicContact CD2-CE1 3.88Å; F63-Y244 HydrophobicContact CE1-CE1 4.27Å; F63-Y244 HydrophobicContact CE2-CE1 4.46Å; F63-Y244 HydrophobicContact CG-CD1 4.18Å; F63-Y244 AromaticContact CG-CE1 3.43Å; F63-Y244 HydrophobicContact CG-CE1 3.43Å; F63-Y244 VanDerWaalsContact CG-CE1 3.43Å; F64-Y244 HydrophobicContact CD1-CD1 4.27Å; F64-Y244 HydrophobicContact CD1-CD2 4.16Å; F64-Y244 HydrophobicContact CD1-CE2 4.42Å; F64-Y244 HydrophobicContact CD1-CG 4.07Å; F64-Y244 AromaticContact CE1-CD1 3.83Å; F64-Y244 HydrophobicContact CE1-CD1 3.83Å; F64-Y244 HydrophobicContact CE1-CD2 4.27Å; F64-Y244 HydrophobicContact CE1-CE1 4.45Å; F64-Y244 AromaticContact CE1-CG 3.73Å; F64-Y244 HydrophobicContact CE1-CG 3.73Å; S206-Y244 WeakPolarHBondContact O-CA 3.24Å; D207-Y244 HydrophobicContact CB-CD1 3.88Å; D207-Y244 HydrophobicContact CB-CE1 3.69Å; V236-Y244 WeakPolarHBondContact CB-O 3.43Å; V236-Y244 PolarHBondContact N-O 3.17Å; G237-Y244 PolarHBondContact N-O 2.98Å; G237-Y244 PolarHBondContact O-N 2.89Å; L239-Y244 HydrophobicContact CB-CD2 3.92Å; L239-Y244 HydrophobicContact CB-CE2 3.88Å; L239-Y244 HydrophobicContact CD1-CD2 4.13Å; L239-Y244 HydrophobicContact CG-CD2 4.31Å; V242-Y244 HydrophobicContact CB-CD2 4.48Å; V242-Y244 HydrophobicContact CB-CE2 3.76Å; V242-Y244 HydrophobicContact CG1-CD2 4.35Å; V242-Y244 HydrophobicContact CG1-CE1 4.18Å; V242-Y244 HydrophobicContact CG1-CE2 3.8Å; V242-Y244 WeakPolarHBondContact O-CD2 3.47Å
245Y97.9Very high84.7Confident41 Ų4150.8 Ų50.816%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-127.4150.9-179.6-54.2-84.4000110.6F205 S206 E208 P210 V233 Q234 E235 C243F205-Y245 WeakPolarHBondContact CA-O 3.38Å; S206-Y245 PolarHBondContact N-O 3.13Å; S206-Y245 PolarHBondContact O-N 3.35Å; E208-Y245 VanDerWaalsContact O-CD2 3.26Å; E208-Y245 WeakPolarHBondContact O-CD2 3.49Å; P210-Y245 HydrophobicContact CG-CD1 3.72Å; P210-Y245 HydrophobicContact CG-CD2 4.23Å; P210-Y245 HydrophobicContact CG-CE1 3.63Å; P210-Y245 HydrophobicContact CG-CE2 4.15Å; P210-Y245 HydrophobicContact CG-CG 4.02Å; V233-Y245 HydrophobicContact CG2-CD1 4.24Å; V233-Y245 HydrophobicContact CG2-CG 4.45Å; Q234-Y245 CarbonylContact O-C 3.56Å; Q234-Y245 WeakPolarHBondContact O-CA 3.27Å; E235-Y245 HydrophobicContact CB-CD1 4.26Å; E235-Y245 HydrophobicContact CB-CE1 4.35Å; E235-Y245 HydrophobicContact CG-CD1 4.36Å; E235-Y245 HydrophobicContact CG-CE1 4.18Å; C243-Y245 HydrophobicContact CB-CE2 4.36Å; C243-Y245 VanDerWaalsContact SG-CZ 3.56Å; C243-Y245 PolarHBondContact SG-OH 3.25Å
246C98.4Very high81.7Confident5 Ų552 Ų523%0.03429%0.293CS..EExtended strand (participates in β ladder)trans-107.8115.7168.4-174.10000108.2F72 Q204 F205 V233 Q234 V236F72-C246 HydrophobicContact CD1-CB 3.77Å; F72-C246 HydrophobicContact CE1-CB 4.05Å; F72-C246 HydrophobicContact CG-CB 4.41Å; Q204-C246 CarbonylContact O-C 3.53Å; Q204-C246 WeakPolarHBondContact O-CA 3.35Å; F205-C246 HydrophobicContact CD1-CB 3.88Å; F205-C246 HydrophobicContact CE1-CB 3.6Å; F205-C246 WeakPolarHBondContact CE1-SG 3.42Å; F205-C246 HydrophobicContact CZ-CB 4.5Å; V233-C246 WeakPolarHBondContact CA-O 3.5Å; Q234-C246 PolarHBondContact N-O 3.4Å; Q234-C246 PolarHBondContact O-N 3.22Å; V236-C246 HydrophobicContact CG2-CB 3.91Å
247Y98.1Very high79Confident0 Ų063.5 Ų63.50%034%0.341CS..EExtended strand (participates in β ladder)trans-97.6117.1171.9-57-89.6000108.8L203 Q204 E208 P210 R213 L214 L217 G232 V233L203-Y247 CarbonylContact C-O 3.55Å; L203-Y247 WeakPolarHBondContact CA-O 3.36Å; Q204-Y247 PolarHBondContact N-O 3.2Å; Q204-Y247 PolarHBondContact O-N 2.68Å; E208-Y247 PolarHBondContact O-OH 3.46Å; P210-Y247 VanDerWaalsContact CA-OH 3.31Å; P210-Y247 WeakPolarHBondContact CA-OH 3.49Å; P210-Y247 HydrophobicContact CB-CE1 4.42Å; P210-Y247 VanDerWaalsContact N-OH 3.17Å; R213-Y247 HydrophobicContact CB-CD1 4.29Å; R213-Y247 HydrophobicContact CB-CE1 3.63Å; R213-Y247 HydrophobicContact CB-CE2 4Å; R213-Y247 VanDerWaalsContact CB-CZ 3.47Å; R213-Y247 HydrophobicContact CG-CD1 3.7Å; R213-Y247 HydrophobicContact CG-CD2 3.69Å; R213-Y247 HydrophobicContact CG-CE1 3.53Å; R213-Y247 HydrophobicContact CG-CE2 3.52Å; R213-Y247 HydrophobicContact CG-CG 3.78Å; R213-Y247 VanDerWaalsContact CG-CZ 3.44Å; L214-Y247 HydrophobicContact CD2-CD1 3.96Å; L214-Y247 HydrophobicContact CD2-CE1 4.17Å; L214-Y247 HydrophobicContact CG-CD1 4.49Å; L214-Y247 HydrophobicContact CG-CE1 4.21Å; L217-Y247 HydrophobicContact CD1-CD1 4.06Å; L217-Y247 HydrophobicContact CD1-CG 4.02Å; G232-Y247 CarbonylContact O-C 3.53Å; G232-Y247 VanDerWaalsContact O-CA 3.31Å; G232-Y247 WeakPolarHBondContact O-CA 3.18Å; V233-Y247 HydrophobicContact CB-CD1 3.91Å; V233-Y247 HydrophobicContact CB-CE1 3.94Å; V233-Y247 HydrophobicContact CG2-CD1 3.77Å; V233-Y247 HydrophobicContact CG2-CE1 3.45Å; V233-Y247 VanDerWaalsContact CG2-CE1 3.45Å
248Q96.9Very high78.3Confident55 Ų5565.9 Ų65.926%0.25735%0.349SS..EExtended strand (participates in β ladder)trans-95.2123.2173.2179.4-175.2-10.900108.8F76 L202 L203 V231 G232 T250F76-Q248 HydrophobicContact CZ-CG 4.2Å; L202-Q248 CarbonylContact O-C 3.58Å; L202-Q248 WeakPolarHBondContact O-CA 3.38Å; L203-Q248 HydrophobicContact CD2-CB 3.85Å; L203-Q248 HydrophobicContact CD2-CG 3.88Å; V231-Q248 CarbonylContact C-O 3.59Å; V231-Q248 WeakPolarHBondContact CA-O 2.99Å; G232-Q248 PolarHBondContact N-O 3.31Å; G232-Q248 PolarHBondContact O-N 2.98Å; Q248-T250 HydrophobicContact CG-CG2 4.44Å
249V95.3Very high77.6Confident0 Ų064.2 Ų64.20%034%0.337CS..EExtended strand (participates in β ladder)trans-117.9127.5176.5-165.40000109.3L189 L193 L202 L217 A229 D230 V231L189-V249 HydrophobicContact CD1-CG1 4.49Å; L193-V249 HydrophobicContact CD2-CG1 3.82Å; L202-V249 HydrophobicContact CB-CB 4.25Å; L202-V249 HydrophobicContact CD2-CB 4.47Å; L202-V249 HydrophobicContact CD2-CG2 4.39Å; L202-V249 PolarHBondContact N-O 3Å; L202-V249 PolarHBondContact O-N 2.95Å; L217-V249 HydrophobicContact CD1-CG2 3.98Å; L217-V249 HydrophobicContact CD2-CG2 3.96Å; A229-V249 HydrophobicContact CB-CG1 3.8Å; D230-V249 WeakPolarHBondContact O-CA 3.49Å; V231-V249 HydrophobicContact CG1-CG2 4.44Å; V231-V249 HydrophobicContact CG2-CG1 4.31Å
250T90.6Very high77.2Confident31 Ų3164.7 Ų64.719%0.1934%0.339CS..EExtended strand (participates in β ladder)trans-124.9135.4175.851.30000110.9S201 A229 D230 Q248S201-T250 VanDerWaalsContact OG-CG2 3.26Å; S201-T250 WeakPolarHBondContact OG-CG2 3.47Å; A229-T250 CarbonylContact C-O 3.6Å; A229-T250 VanDerWaalsContact CA-O 3.3Å; A229-T250 WeakPolarHBondContact CA-O 3.42Å; D230-T250 PolarHBondContact N-O 2.91Å; D230-T250 PolarHBondContact O-N 3.09Å; Q248-T250 HydrophobicContact CG-CG2 4.44Å
251A77.8Confident76.9Confident13 Ų1361.2 Ų61.211%0.10733%0.332CS..EExtended strand (participates in β ladder)trans-75.2126.7176.400000110.4L193L193-A251 HydrophobicContact CB-CB 4.36Å; L193-A251 HydrophobicContact CD2-CB 4.09Å
252H67.3Low76.3Confident84 Ų8461 Ų6139%0.38931%0.311SS..  trans-71.6132.1155.7-75.6-73.1000107.8A227 A228 D230A227-H252 HydrophobicContact CB-CB 3.74Å; A227-H252 WeakPolarHBondContact CB-O 3.1Å; A228-H252 WeakPolarHBondContact O-CB 3.5Å; A228-H252 PolarHBondContact O-CD2 3.37Å; A228-H252 PolarHBondContact O-N 3.34Å; D230-H252 IonicContact OD1-CD2 3.58Å; D230-H252 IonicContact OD1-CE1 3.41Å; D230-H252 IonicContact OD1-NE2 3.16Å; D230-H252 PolarHBondContact OD1-NE2 2.78Å; D230-H252 IonicContact OD2-CD2 3.54Å; D230-H252 IonicContact OD2-CE1 2.66Å; D230-H252 PolarHBondContact OD2-CE1 2.7Å; D230-H252 IonicContact OD2-NE2 2.72Å; D230-H252 PolarHBondContact OD2-NE2 3.26Å
253H57.5Low75.6Confident45 Ų4564.3 Ų64.321%0.20833%0.327CS..  trans-112.5121.3164.5-66.5-96.7000106R198 V255R198-H253 HydrophobicContact CG-CB 4.01Å; R198-H253 VanDerWaalsContact CG-CD2 3.49Å; R198-H253 WeakPolarHBondContact CG-CD2 3.15Å; R198-H253 VanDerWaalsContact CZ-CB 3.5Å; R198-H253 VanDerWaalsContact CZ-O 3.29Å; R198-H253 PolarHBondContact NH1-O 3.4Å; R198-H253 PolarHBondContact NH2-O 3.22Å; H253-V255 PolarHBondContact O-N 2.71Å
254D49.9Very low74.4Confident114 Ų11466.4 Ų66.461%0.6133%0.334SS*.  trans-46.4133.9177.9-85.6-37.1000110.6R198 N256R198-D254 PolarHBondContact NH1-O 2.97Å; D254-N256 PolarHBondContact O-N 2.69Å
255V44.1Very low72.8Confident122 Ų12271.3 Ų71.374%0.73936%0.358SS*.SBendtrans-76.1-6.1179.5177.70000111.2H253H253-V255 PolarHBondContact O-N 2.71Å
256N35.4Very low70.7Confident149 Ų14973.8 Ų73.880%0.79738%0.375SS*.  trans-125.465.3-172.6-68.1-24.4000112.7D254D254-N256 PolarHBondContact O-N 2.69Å
257K37.3Very low68.2Low268 Ų26880.1 Ų80.1100%1.16541%0.406SS*.  trans-143.10152.9-80.9-168.2-179169.70110.3

Retrieved 257 of 257 residues in 481.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).