A0A087XLE8_POEFO Loading...

Ras-related protein Rab-35

AlphaFold DB (A0A3Q2E3T5), UniProt , Accession A0A087XLE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 201 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.4Very low84.4Confident244 Ų24490.3 Ų90.3100%1.20245%0.448SS*.  0122.80-63.2177.7-170.200106.6
2A57.5Low85.3Confident91 Ų9182.8 Ų82.875%0.75241%0.411SS*.  trans-59.4139.2176.900000108.6D4A2-D4 PolarHBondContact O-N 3.28Å
3R69.3Low86.1Confident214 Ų21476.5 Ų76.581%0.80838%0.38SS*.  trans-69126.3175.1-72.8-178.8175.7169.7-0.5107.6Y5R3-Y5 PolarHBondContact O-N 3.44Å; R3-Y5 VanDerWaalsContact O-N 3.16Å
4D87.1Confident86.7Confident140 Ų14071 Ų7175%0.74935%0.353SS*.SBendtrans-72.4-0.9179-60.9-43.7000113.5A2A2-D4 PolarHBondContact O-N 3.28Å
5Y91.9Very high87.2Confident70 Ų7066.3 Ų66.328%0.27533%0.329SS..  trans-150151.9-179.260.9-91.3000111R3 Y7 L8 K58R3-Y5 PolarHBondContact O-N 3.44Å; R3-Y5 VanDerWaalsContact O-N 3.16Å; Y5-Y7 VanDerWaalsContact CD2-O 3.29Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.47Å; Y5-L8 HydrophobicContact CD2-CB 4.29Å; Y5-L8 HydrophobicContact CE2-CB 3.71Å; Y5-K58 HydrophobicContact CD1-CB 4.18Å; Y5-K58 HydrophobicContact CD1-CD 3.66Å; Y5-K58 HydrophobicContact CD2-CB 4.17Å; Y5-K58 HydrophobicContact CE1-CD 3.79Å; Y5-K58 HydrophobicContact CG-CB 3.85Å; Y5-K58 HydrophobicContact CG-CD 4.2Å
6D93.9Very high87.6Confident95 Ų9563.7 Ų63.751%0.50832%0.317SS..SBendtrans-86.2-40.4178.2-58.2-57.5000111.2K56D6-K56 PolarHBondContact N-O 3.03Å; D6-K56 PolarHBondContact OD2-N 3.08Å
7Y95.9Very high87.8Confident47 Ų4762.5 Ų62.518%0.18432%0.316CS..EExtended strand (participates in β ladder)trans-131.3148.7-178.8-56.9-92.7000111.9Y5 F9 E55 K56 V57 K58 L169 K172 K173Y5-Y7 VanDerWaalsContact CD2-O 3.29Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.47Å; Y7-F9 HydrophobicContact CD1-CE1 4.46Å; Y7-F9 HydrophobicContact CD1-CZ 4.01Å; Y7-F9 HydrophobicContact CG-CZ 4.04Å; Y7-E55 HydrophobicContact CD2-CB 4.29Å; Y7-E55 HydrophobicContact CE2-CB 4.09Å; Y7-E55 HydrophobicContact CE2-CG 4.09Å; Y7-E55 WeakPolarHBondContact CE2-OE2 3.29Å; Y7-E55 PolarHBondContact OH-OE1 3.14Å; Y7-K56 PolarHBondContact N-O 3.48Å; Y7-V57 HydrophobicContact CD2-CG2 4.43Å; Y7-K58 PolarHBondContact O-N 3.45Å; Y7-L169 HydrophobicContact CD1-CD1 3.95Å; Y7-L169 HydrophobicContact CD2-CD1 3.67Å; Y7-L169 HydrophobicContact CE1-CD1 4.01Å; Y7-L169 HydrophobicContact CE2-CD1 3.8Å; Y7-L169 HydrophobicContact CG-CD1 3.77Å; Y7-K172 HydrophobicContact CD1-CG 4.5Å; Y7-K173 WeakPolarHBondContact OH-CE 3.28Å
8L96Very high88Confident61 Ų6160.6 Ų60.632%0.31932%0.315SS..EExtended strand (participates in β ladder)trans-122.2119.3171.8176.766.6000108.1Y5 K58 Q60Y5-L8 HydrophobicContact CD2-CB 4.29Å; Y5-L8 HydrophobicContact CE2-CB 3.71Å; L8-K58 WeakPolarHBondContact CA-O 3.42Å; L8-K58 HydrophobicContact CD1-CB 3.94Å; L8-K58 HydrophobicContact CD1-CD 4.16Å; L8-K58 HydrophobicContact CD1-CG 3.87Å; L8-K58 WeakPolarHBondContact CD1-O 3.42Å; L8-Q60 HydrophobicContact CD1-CG 3.88Å
9F96.9Very high88.4Confident4 Ų457.6 Ų57.62%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-120.4142.4176.4-60.3-42.4000111.7Y7 V57 K58 L59 Q60 H82 T165 V168 L169 K172Y7-F9 HydrophobicContact CD1-CE1 4.46Å; Y7-F9 HydrophobicContact CD1-CZ 4.01Å; Y7-F9 HydrophobicContact CG-CZ 4.04Å; F9-V57 HydrophobicContact CD2-CG1 3.34Å; F9-V57 HydrophobicContact CE2-CG1 3.64Å; F9-V57 HydrophobicContact CG-CG1 4.29Å; F9-K58 PolarHBondContact N-O 2.81Å; F9-L59 HydrophobicContact CB-CD2 4.12Å; F9-L59 HydrophobicContact CD2-CD2 4.45Å; F9-Q60 PolarHBondContact O-N 3.08Å; F9-H82 HydrophobicContact CB-CB 4.42Å; F9-H82 HydrophobicContact CD1-CB 4.41Å; F9-H82 AromaticContact CD1-CD2 3.93Å; F9-T165 HydrophobicContact CD2-CG2 4.49Å; F9-V168 HydrophobicContact CB-CG1 4.17Å; F9-V168 HydrophobicContact CD1-CG1 3.53Å; F9-V168 HydrophobicContact CD2-CB 4.29Å; F9-V168 HydrophobicContact CD2-CG1 3.64Å; F9-V168 HydrophobicContact CE1-CG1 3.74Å; F9-V168 HydrophobicContact CE2-CB 4.45Å; F9-V168 HydrophobicContact CE2-CG1 3.85Å; F9-V168 HydrophobicContact CG-CG1 3.5Å; F9-V168 HydrophobicContact CZ-CG1 3.91Å; F9-L169 HydrophobicContact CE2-CB 3.97Å; F9-L169 HydrophobicContact CE2-CD1 3.9Å; F9-L169 HydrophobicContact CZ-CB 4.31Å; F9-L169 HydrophobicContact CZ-CD1 3.79Å; F9-K172 HydrophobicContact CE1-CB 4.23Å; F9-K172 HydrophobicContact CE1-CG 4.23Å; F9-K172 HydrophobicContact CZ-CB 4.24Å; F9-K172 HydrophobicContact CZ-CG 4.48Å
10K95.6Very high88.7Confident27 Ų2755.3 Ų55.312%0.11729%0.29CS..EExtended strand (participates in β ladder)trans-100118.1172.2177.6175.5170.6-1710108.7Q60 Y77 R79 T81 H82 G83K10-Q60 CarbonylContact C-O 3.59Å; K10-Q60 WeakPolarHBondContact CA-O 3.13Å; K10-Y77 VanDerWaalsContact CE-O 3.25Å; K10-Y77 WeakPolarHBondContact CE-O 3.48Å; K10-Y77 PolarHBondContact NZ-O 3.16Å; K10-R79 PolarHBondContact NZ-O 3.3Å; K10-T81 WeakPolarHBondContact CE-OG1 3.4Å; K10-H82 PolarHBondContact N-ND1 3.02Å; K10-H82 VanDerWaalsContact N-ND1 3.1Å; K10-H82 PolarHBondContact O-N 3.34Å; K10-G83 PolarHBondContact O-N 3.07Å
11L96.6Very high89Confident0 Ų053.1 Ų53.10%028%0.279CS..EExtended strand (participates in β ladder)trans-108.2143.7173.6-57.9-175.8000109.8L59 Q60 I61 W62 G83 F161 I164 V168L11-L59 HydrophobicContact CD1-CD1 4.27Å; L11-L59 HydrophobicContact CD1-CD2 4.06Å; L11-L59 HydrophobicContact CG-CD2 4.38Å; L11-Q60 PolarHBondContact N-O 3.46Å; L11-I61 HydrophobicContact CB-CG1 4.26Å; L11-I61 HydrophobicContact CB-CG2 4.47Å; L11-I61 HydrophobicContact CD1-CG1 4.32Å; L11-I61 WeakPolarHBondContact O-CA 3.34Å; L11-W62 PolarHBondContact O-N 3.06Å; L11-G83 VanDerWaalsContact CA-O 3.31Å; L11-G83 WeakPolarHBondContact CA-O 3.47Å; L11-F161 HydrophobicContact CD1-CD1 4.31Å; L11-I164 HydrophobicContact CD1-CG2 4Å; L11-I164 HydrophobicContact CD2-CG1 4.17Å; L11-V168 HydrophobicContact CD2-CG2 4.3Å
12L95.2Very high91.3Very high0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-122130.9177.9-17268.2000109.6I14 W62 T64 Y78 T81 G83 V84 I85L12-I14 HydrophobicContact CD2-CG2 3.8Å; L12-I14 HydrophobicContact CG-CG2 3.81Å; L12-W62 HydrophobicContact CD1-CB 3.67Å; L12-T64 HydrophobicContact CD1-CG2 3.49Å; L12-T64 VanDerWaalsContact CD1-CG2 3.49Å; L12-T64 HydrophobicContact CG-CG2 4.27Å; L12-Y78 HydrophobicContact CD2-CD1 3.84Å; L12-Y78 HydrophobicContact CD2-CD2 4.42Å; L12-Y78 HydrophobicContact CD2-CE1 3.84Å; L12-Y78 HydrophobicContact CD2-CE2 4.44Å; L12-Y78 HydrophobicContact CD2-CG 4.15Å; L12-T81 HydrophobicContact CB-CG2 3.73Å; L12-G83 PolarHBondContact N-O 3.44Å; L12-V84 HydrophobicContact CB-CG2 4.5Å; L12-V84 CarbonylContact O-C 3.58Å; L12-V84 WeakPolarHBondContact O-CA 3.34Å; L12-I85 PolarHBondContact O-N 3.33Å
13I95.7Very high93.1Very high1 Ų140.2 Ų40.21%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-103.5122173.6-45.1-179000108.5K21 L25 I61 W62 T64 I85 V87 F161I13-K21 HydrophobicContact CG2-CB 3.71Å; I13-K21 HydrophobicContact CG2-CD 4.03Å; I13-K21 HydrophobicContact CG2-CG 3.79Å; I13-L25 HydrophobicContact CD1-CB 4.08Å; I13-I61 HydrophobicContact CD1-CG2 3.71Å; I13-I61 HydrophobicContact CG1-CG2 3.86Å; I13-W62 PolarHBondContact N-O 3.08Å; I13-T64 PolarHBondContact O-N 3.16Å; I13-T64 PolarHBondContact O-OG1 3.37Å; I13-I85 WeakPolarHBondContact CA-O 3.44Å; I13-I85 HydrophobicContact CG1-CB 4.47Å; I13-I85 HydrophobicContact CG1-CD1 4.31Å; I13-I85 HydrophobicContact CG2-CB 4.42Å; I13-V87 HydrophobicContact CG2-CG2 3.54Å; I13-F161 HydrophobicContact CD1-CE1 4.39Å; I13-F161 HydrophobicContact CD1-CZ 3.97Å
14I94.2Very high94.4Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-129.1163.517969.3173.5000111.1L12 K21 Y78 V84 I85 V86 V87 W102 I106L12-I14 HydrophobicContact CD2-CG2 3.8Å; L12-I14 HydrophobicContact CG-CG2 3.81Å; I14-K21 VanDerWaalsContact C-CD 3.43Å; I14-Y78 HydrophobicContact CD1-CE1 4.45Å; I14-Y78 WeakPolarHBondContact CD1-OH 3.4Å; I14-V84 HydrophobicContact CD1-CG1 3.79Å; I14-V84 HydrophobicContact CG1-CG1 3.82Å; I14-V84 HydrophobicContact CG2-CG1 4.44Å; I14-I85 PolarHBondContact N-O 3.47Å; I14-V86 HydrophobicContact CD1-CG2 4.14Å; I14-V86 HydrophobicContact CG1-CB 4.49Å; I14-V86 HydrophobicContact CG1-CG2 4.05Å; I14-V87 PolarHBondContact O-N 3.32Å; I14-W102 HydrophobicContact CB-CE3 4.23Å; I14-W102 HydrophobicContact CD1-CB 3.92Å; I14-W102 HydrophobicContact CD1-CD2 4.47Å; I14-W102 HydrophobicContact CD1-CE3 4.04Å; I14-W102 HydrophobicContact CD1-CG 4.49Å; I14-W102 HydrophobicContact CG1-CB 4.47Å; I14-W102 HydrophobicContact CG1-CE3 4.44Å; I14-I106 HydrophobicContact CD1-CD1 3.67Å; I14-I106 HydrophobicContact CD1-CG1 3.69Å
15G94.5Very high94.8Very high0 Ų023.5 Ų23.50%013%0.133CC..EExtended strand (participates in β ladder)trans142.1169.1-17400000111.5K21 G66 V87 W102G15-K21 WeakPolarHBondContact O-CE 3.34Å; G15-K21 PolarHBondContact O-NZ 3.48Å; G15-G66 VanDerWaalsContact O-CA 3.29Å; G15-G66 WeakPolarHBondContact O-CA 3.46Å; G15-V87 WeakPolarHBondContact CA-O 3.46Å; G15-W102 VanDerWaalsContact C-CZ2 3.43Å; G15-W102 WeakPolarHBondContact O-CZ2 3.48Å
16D93.2Very high94.9Very high25 Ų2522.9 Ų22.913%0.13414%0.135CC..  trans-62.3164-174.7-73.61.2000113.1V19 K21 N98 W102D16-V19 HydrophobicContact CB-CG1 3.82Å; D16-V19 VanDerWaalsContact O-CG2 3.25Å; D16-V19 WeakPolarHBondContact O-CG2 3.31Å; D16-K21 PolarHBondContact O-NZ 3.09Å; D16-N98 WeakPolarHBondContact OD2-CB 3.46Å; D16-N98 PolarHBondContact OD2-ND2 2.75Å; D16-W102 PolarHBondContact OD1-NE1 3.44Å
17S91.3Very high95Very high44 Ų4420.1 Ų20.131%0.30812%0.117SC..THydrogen-bonded Turntrans-60.9142.2172.2-158.80000110V19 Y37 G66S17-V19 VanDerWaalsContact C-N 3.3Å; S17-V19 PolarHBondContact O-N 3.06Å; S17-Y37 PolarHBondContact OG-OH 3.11Å; S17-G66 PolarHBondContact N-O 2.84Å; S17-G66 VanDerWaalsContact N-O 3.12Å
18G91.9Very high95Very high28 Ų2818.1 Ų18.129%0.28911%0.109SC..THydrogen-bonded Turntrans79.4-6.9176.800000117.4G20 Y37 K121G18-G20 PolarHBondContact O-N 3.08Å; G18-Y37 PolarHBondContact N-OH 2.82Å; G18-K121 VanDerWaalsContact O-CE 3.24Å; G18-K121 WeakPolarHBondContact O-CE 3.34Å; G18-K121 PolarHBondContact O-NZ 3.42Å
19V95.4Very high94.8Very high3 Ų316.4 Ų16.42%0.01810%0.104CC..SBendtrans-73.4-8.9-179-53.80000114.4D16 S17 K21 V87 D89 N120D16-V19 HydrophobicContact CB-CG1 3.82Å; D16-V19 VanDerWaalsContact O-CG2 3.25Å; D16-V19 WeakPolarHBondContact O-CG2 3.31Å; S17-V19 VanDerWaalsContact C-N 3.3Å; S17-V19 PolarHBondContact O-N 3.06Å; V19-K21 HydrophobicContact CG2-CD 4.35Å; V19-K21 HydrophobicContact CG2-CG 3.69Å; V19-V87 HydrophobicContact CB-CG1 4.31Å; V19-V87 HydrophobicContact CG2-CB 3.95Å; V19-V87 HydrophobicContact CG2-CG1 3.81Å; V19-D89 HydrophobicContact CB-CB 4.23Å; V19-D89 HydrophobicContact CG1-CB 4.13Å; V19-N120 PolarHBondContact O-ND2 3.49Å
20G95Very high94.6Very high12 Ų1219.7 Ų19.712%0.12412%0.122CC..  trans92.426.5174.300000116.1G18 S23 L24G18-G20 PolarHBondContact O-N 3.08Å; G20-S23 WeakPolarHBondContact O-CB 3.22Å; G20-S23 PolarHBondContact O-N 3.38Å; G20-L24 PolarHBondContact O-N 3.01Å
21K95.3Very high94.4Very high10 Ų1023.4 Ų23.44%0.04314%0.143CC..Hα-helixtrans-53.8-52.4174.1-58.7-174.5-62.3-72.50112.8I13 I14 G15 D16 V19 S23 L24 L25 D63 T64 V87I13-K21 HydrophobicContact CG2-CB 3.71Å; I13-K21 HydrophobicContact CG2-CD 4.03Å; I13-K21 HydrophobicContact CG2-CG 3.79Å; I14-K21 VanDerWaalsContact C-CD 3.43Å; G15-K21 WeakPolarHBondContact O-CE 3.34Å; G15-K21 PolarHBondContact O-NZ 3.48Å; D16-K21 PolarHBondContact O-NZ 3.09Å; V19-K21 HydrophobicContact CG2-CD 4.35Å; V19-K21 HydrophobicContact CG2-CG 3.69Å; K21-S23 VanDerWaalsContact C-N 3.29Å; K21-S23 PolarHBondContact O-N 3.47Å; K21-L24 PolarHBondContact O-N 3.29Å; K21-L25 PolarHBondContact O-N 3.13Å; K21-D63 WeakPolarHBondContact CB-OD1 3.44Å; K21-T64 WeakPolarHBondContact CE-O 3.42Å; K21-V87 HydrophobicContact CG-CB 4.06Å; K21-V87 HydrophobicContact CG-CG2 4.14Å
22S94.4Very high94.1Very high31 Ų3126.7 Ų26.722%0.21716%0.163CC..Hα-helixtrans-62.6-37.2177.4-39.80000111.8L25 L26 T40 D63S22-L25 PolarHBondContact O-N 3.17Å; S22-L26 WeakPolarHBondContact O-CB 3.27Å; S22-L26 VanDerWaalsContact O-CG 3.3Å; S22-L26 WeakPolarHBondContact O-CG 3.39Å; S22-L26 PolarHBondContact O-N 3.4Å; S22-T40 PolarHBondContact OG-OG1 3.45Å; S22-D63 WeakPolarHBondContact CA-OD2 3.37Å; S22-D63 VanDerWaalsContact CB-OD2 3.24Å; S22-D63 WeakPolarHBondContact CB-OD2 3.44Å; S22-D63 PolarHBondContact OG-OD2 3.38Å
23S95.4Very high93.9Very high33 Ų3330.7 Ų30.723%0.23118%0.181CC..Hα-helixtrans-64.9-41.1176.5-50.30000111.9G20 K21 R27G20-S23 WeakPolarHBondContact O-CB 3.22Å; G20-S23 PolarHBondContact O-N 3.38Å; K21-S23 VanDerWaalsContact C-N 3.29Å; K21-S23 PolarHBondContact O-N 3.47Å; S23-R27 WeakPolarHBondContact O-CB 3.31Å; S23-R27 PolarHBondContact O-N 3.49Å
24L96.9Very high93.4Very high1 Ų133.7 Ų33.71%0.00520%0.202CC..Hα-helixtrans-63.4-43.5173.3-73.6168.8000111.3G20 K21 R27 F28 V87 V118 N120 A151 V157G20-L24 PolarHBondContact O-N 3.01Å; K21-L24 PolarHBondContact O-N 3.29Å; L24-R27 PolarHBondContact O-N 3.38Å; L24-F28 WeakPolarHBondContact O-CB 3.47Å; L24-F28 PolarHBondContact O-N 3.26Å; L24-V87 HydrophobicContact CD1-CG1 3.94Å; L24-V87 HydrophobicContact CD1-CG2 4.07Å; L24-V118 HydrophobicContact CD1-CG1 4.12Å; L24-N120 HydrophobicContact CD1-CB 4.21Å; L24-A151 HydrophobicContact CD2-CB 3.96Å; L24-A151 HydrophobicContact CG-CB 4.19Å; L24-V157 HydrophobicContact CD2-CG1 4.28Å; L24-V157 HydrophobicContact CD2-CG2 3.9Å
25L95.7Very high92.6Very high1 Ų137 Ų371%0.00524%0.237CC..Hα-helixtrans-61.3-49.8177.4179.957.5000111.9I13 K21 S22 F28 A29 K46 I61 D63I13-L25 HydrophobicContact CD1-CB 4.08Å; K21-L25 PolarHBondContact O-N 3.13Å; S22-L25 PolarHBondContact O-N 3.17Å; L25-F28 PolarHBondContact O-N 3.38Å; L25-A29 VanDerWaalsContact O-CB 3.25Å; L25-A29 WeakPolarHBondContact O-CB 3.39Å; L25-A29 PolarHBondContact O-N 3.12Å; L25-K46 HydrophobicContact CD1-CB 3.93Å; L25-K46 HydrophobicContact CD1-CG 4.32Å; L25-K46 HydrophobicContact CD2-CB 4.26Å; L25-K46 HydrophobicContact CD2-CG 4.03Å; L25-K46 HydrophobicContact CG-CB 4.26Å; L25-K46 HydrophobicContact CG-CG 4.1Å; L25-I61 HydrophobicContact CD1-CB 3.72Å; L25-I61 HydrophobicContact CD1-CD1 4.12Å; L25-I61 HydrophobicContact CD1-CG2 3.52Å; L25-D63 HydrophobicContact CD2-CB 3.54Å
26L94.1Very high91.9Very high58 Ų5841 Ų4130%0.30426%0.264SS..Hα-helixtrans-65.5-39.9179.9-70.8173.4000111.7S22 F28 A29 D30 N31 T32S22-L26 WeakPolarHBondContact O-CB 3.27Å; S22-L26 VanDerWaalsContact O-CG 3.3Å; S22-L26 WeakPolarHBondContact O-CG 3.39Å; S22-L26 PolarHBondContact O-N 3.4Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.04Å; L26-A29 PolarHBondContact O-N 3.36Å; L26-D30 WeakPolarHBondContact O-CA 3.25Å; L26-D30 PolarHBondContact O-N 3.23Å; L26-N31 PolarHBondContact O-N 3.03Å; L26-T32 CarbonylContact C-O 3.5Å
27R96Very high90.8Very high36 Ų3646.6 Ų46.614%0.13628%0.284CS..Hα-helixtrans-61.5-43.7175.3178.157.574.8-175.39.3110.8S23 L24 N31 T32 A151 K152 N154 V157S23-R27 WeakPolarHBondContact O-CB 3.31Å; S23-R27 PolarHBondContact O-N 3.49Å; L24-R27 PolarHBondContact O-N 3.38Å; R27-N31 PolarHBondContact NH1-O 3.27Å; R27-N31 PolarHBondContact NH1-OD1 3.06Å; R27-N31 WeakPolarHBondContact O-CA 3.26Å; R27-N31 PolarHBondContact O-N 3.07Å; R27-N31 VanDerWaalsContact O-N 3.12Å; R27-T32 WeakPolarHBondContact CA-O 3.38Å; R27-T32 PolarHBondContact N-O 2.78Å; R27-A151 PolarHBondContact NE-O 3.32Å; R27-A151 PolarHBondContact NH2-O 3.14Å; R27-K152 PolarHBondContact NH2-O 3.26Å; R27-N154 VanDerWaalsContact CD-OD1 3.31Å; R27-N154 WeakPolarHBondContact CD-OD1 3.46Å; R27-N154 HydrophobicContact CG-CB 4.33Å; R27-N154 VanDerWaalsContact CG-OD1 3.22Å; R27-N154 WeakPolarHBondContact CG-OD1 3.35Å; R27-V157 HydrophobicContact CB-CG1 4.32Å; R27-V157 HydrophobicContact CG-CB 4.28Å; R27-V157 HydrophobicContact CG-CG1 4Å; R27-V157 HydrophobicContact CG-CG2 4.06Å
28F96.3Very high90.1Very high5 Ų551 Ų512%0.02230%0.303CS..Hα-helixtrans-72.2-43.1178.2-179.1-106.7000113.1L24 L25 L26 R48 V50 L59 I61 V157 E158 F161L24-F28 WeakPolarHBondContact O-CB 3.47Å; L24-F28 PolarHBondContact O-N 3.26Å; L25-F28 PolarHBondContact O-N 3.38Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.04Å; F28-R48 HydrophobicContact CE1-CB 4.06Å; F28-R48 HydrophobicContact CE1-CG 4.21Å; F28-R48 WeakPolarHBondContact O-CD 3.29Å; F28-R48 PolarHBondContact O-NH1 3.37Å; F28-V50 HydrophobicContact CZ-CG1 3.88Å; F28-L59 HydrophobicContact CE1-CD1 4.19Å; F28-L59 HydrophobicContact CZ-CD1 4.2Å; F28-I61 HydrophobicContact CD1-CD1 3.62Å; F28-I61 HydrophobicContact CE1-CD1 3.55Å; F28-V157 HydrophobicContact CB-CG1 4.04Å; F28-E158 HydrophobicContact CE2-CG 4.49Å; F28-F161 HydrophobicContact CB-CD2 3.57Å; F28-F161 HydrophobicContact CB-CE2 3.42Å; F28-F161 VanDerWaalsContact CB-CE2 3.42Å; F28-F161 HydrophobicContact CB-CG 4.45Å; F28-F161 HydrophobicContact CB-CZ 4.19Å; F28-F161 HydrophobicContact CD1-CB 4.46Å; F28-F161 HydrophobicContact CD1-CD1 4.12Å; F28-F161 AromaticContact CD1-CD2 3.87Å; F28-F161 HydrophobicContact CD1-CD2 3.87Å; F28-F161 HydrophobicContact CD1-CE1 4.32Å; F28-F161 HydrophobicContact CD1-CE2 4.09Å; F28-F161 AromaticContact CD1-CG 3.9Å; F28-F161 HydrophobicContact CD1-CG 3.9Å; F28-F161 HydrophobicContact CD1-CZ 4.3Å; F28-F161 HydrophobicContact CD2-CB 3.73Å; F28-F161 AromaticContact CD2-CD2 3.38Å; F28-F161 HydrophobicContact CD2-CD2 3.38Å; F28-F161 HydrophobicContact CD2-CE2 4.16Å; F28-F161 AromaticContact CD2-CG 3.7Å; F28-F161 HydrophobicContact CD2-CG 3.7Å; F28-F161 HydrophobicContact CE1-CB 4.15Å; F28-F161 HydrophobicContact CE1-CD1 4.13Å; F28-F161 HydrophobicContact CE1-CD2 4.4Å; F28-F161 AromaticContact CE1-CG 3.98Å; F28-F161 HydrophobicContact CE1-CG 3.98Å; F28-F161 HydrophobicContact CE2-CB 3.36Å; F28-F161 AromaticContact CE2-CD2 3.98Å; F28-F161 HydrophobicContact CE2-CD2 3.98Å; F28-F161 AromaticContact CE2-CG 3.8Å; F28-F161 HydrophobicContact CE2-CG 3.8Å; F28-F161 HydrophobicContact CG-CB 4.26Å; F28-F161 HydrophobicContact CG-CD1 4.39Å; F28-F161 AromaticContact CG-CD2 3.31Å; F28-F161 HydrophobicContact CG-CD2 3.31Å; F28-F161 AromaticContact CG-CE2 3.64Å; F28-F161 HydrophobicContact CG-CE2 3.64Å; F28-F161 AromaticContact CG-CG 3.75Å; F28-F161 HydrophobicContact CG-CG 3.75Å; F28-F161 HydrophobicContact CG-CZ 4.3Å; F28-F161 HydrophobicContact CZ-CB 3.6Å; F28-F161 HydrophobicContact CZ-CD1 4.42Å; F28-F161 HydrophobicContact CZ-CD2 4.44Å; F28-F161 AromaticContact CZ-CG 3.94Å; F28-F161 HydrophobicContact CZ-CG 3.94Å
29A92.3Very high89.4Confident26 Ų2652.2 Ų52.222%0.21531%0.305CS..Hα-helixtrans-78.8-42.4-173.400000112.8L25 L26 K46L25-A29 VanDerWaalsContact O-CB 3.25Å; L25-A29 WeakPolarHBondContact O-CB 3.39Å; L25-A29 PolarHBondContact O-N 3.12Å; L26-A29 PolarHBondContact O-N 3.36Å; A29-K46 HydrophobicContact CB-CB 3.95Å; A29-K46 HydrophobicContact CB-CD 4.1Å; A29-K46 HydrophobicContact CB-CG 3.99Å
30D91.4Very high88.3Confident73 Ų7353.5 Ų53.539%0.3931%0.313SS..Hα-helixtrans-120.5-2.6-167.8-54-29.9000112.7L26 T32 K46L26-D30 WeakPolarHBondContact O-CA 3.25Å; L26-D30 PolarHBondContact O-N 3.23Å; D30-T32 HydrophobicContact CB-CG2 4.22Å; D30-T32 WeakPolarHBondContact O-CG2 3.44Å; D30-T32 PolarHBondContact O-N 3.01Å; D30-K46 VanDerWaalsContact CG-NZ 3.27Å; D30-K46 IonicContact OD1-NZ 2.66Å; D30-K46 PolarHBondContact OD1-NZ 3.28Å; D30-K46 IonicContact OD2-NZ 2.77Å; D30-K46 PolarHBondContact OD2-NZ 2.82Å
31N92.3Very high87.3Confident104 Ų10459.9 Ų59.956%0.55634%0.342SS*.SBendtrans52.437-171.1-164.418.7000113.6L26 R27L26-N31 PolarHBondContact O-N 3.03Å; R27-N31 PolarHBondContact NH1-O 3.27Å; R27-N31 PolarHBondContact NH1-OD1 3.06Å; R27-N31 WeakPolarHBondContact O-CA 3.26Å; R27-N31 PolarHBondContact O-N 3.07Å; R27-N31 VanDerWaalsContact O-N 3.12Å
32T90.3Very high86.2Confident70 Ų7060.1 Ų60.143%0.42935%0.348SS..  trans-117.8153.9178.860.70000112L26 R27 D30L26-T32 CarbonylContact C-O 3.5Å; R27-T32 WeakPolarHBondContact CA-O 3.38Å; R27-T32 PolarHBondContact N-O 2.78Å; D30-T32 HydrophobicContact CB-CG2 4.22Å; D30-T32 WeakPolarHBondContact O-CG2 3.44Å; D30-T32 PolarHBondContact O-N 3.01Å
33F90.8Very high85.6Confident84 Ų8460.2 Ų60.237%0.36835%0.347SS..  trans-137.7138.8170.5174.7-95.6000109.5A151 K152F33-A151 HydrophobicContact CD2-CB 4.46Å; F33-K152 HydrophobicContact CD1-CG 4.32Å; F33-K152 HydrophobicContact CD2-CB 4.26Å; F33-K152 HydrophobicContact CE1-CB 4.15Å; F33-K152 HydrophobicContact CE1-CG 3.86Å; F33-K152 HydrophobicContact CE2-CB 3.85Å; F33-K152 HydrophobicContact CE2-CG 4.46Å; F33-K152 HydrophobicContact CZ-CB 3.79Å; F33-K152 HydrophobicContact CZ-CG 3.94Å
34S85.4Confident85.1Confident63 Ų6362.2 Ų62.244%0.44136%0.355SS..  trans-124.7128.5172.5-179.90000109S36S34-S36 PolarHBondContact O-N 2.91Å; S34-S36 WeakPolarHBondContact OG-CB 3.35Å; S34-S36 PolarHBondContact OG-N 3.36Å
35G77.4Confident84.7Confident71 Ų7167.6 Ų67.673%0.73238%0.379SS*.  trans-73.9-7.5171.600000113.4Y37G35-Y37 PolarHBondContact O-N 3.29Å
36S79.2Confident84.6Confident82 Ų8270.4 Ų70.457%0.57339%0.391SS*.SBendtrans-74.3118.3176.5-60.90000109.8S34 I38S34-S36 PolarHBondContact O-N 2.91Å; S34-S36 WeakPolarHBondContact OG-CB 3.35Å; S34-S36 PolarHBondContact OG-N 3.36Å; S36-I38 PolarHBondContact O-N 3.35Å; S36-I38 VanDerWaalsContact O-N 3.11Å
37Y71.2Confident84.6Confident143 Ų14371.3 Ų71.356%0.56140%0.396SS*.  trans-75.4100.9173.2-176.5-108.5000110.1S17 G18 G35 T39S17-Y37 PolarHBondContact OG-OH 3.11Å; G18-Y37 PolarHBondContact N-OH 2.82Å; G35-Y37 PolarHBondContact O-N 3.29Å; Y37-T39 VanDerWaalsContact CE1-OG1 3.26Å; Y37-T39 WeakPolarHBondContact CE1-OG1 3.43Å
38I76.1Confident84.5Confident137 Ų13773 Ų7370%0.70340%0.402SS*.  trans-104.3119.6170.1-54178.5000107.2S36 T40S36-I38 PolarHBondContact O-N 3.35Å; S36-I38 VanDerWaalsContact O-N 3.11Å; I38-T40 PolarHBondContact O-N 2.97Å
39T76.4Confident84.5Confident54 Ų5476.3 Ų76.333%0.33142%0.422SS..  trans-70.7124.2177.6-60.20000109.5Y37 I41Y37-T39 VanDerWaalsContact CE1-OG1 3.26Å; Y37-T39 WeakPolarHBondContact CE1-OG1 3.43Å; T39-I41 PolarHBondContact O-N 2.75Å
40T73.4Confident84.7Confident29 Ų2975.6 Ų75.618%0.17842%0.416CS..  trans-62.2121.9173.6-450000109.9S22 I38 A65S22-T40 PolarHBondContact OG-OG1 3.45Å; I38-T40 PolarHBondContact O-N 2.97Å; T40-A65 WeakPolarHBondContact O-CB 3.34Å
41I73.3Confident84.9Confident146 Ų14678.5 Ų78.575%0.74943%0.427SS*.  trans-94.1113.9173.4-57.5175.5000107.5T39 V43T39-I41 PolarHBondContact O-N 2.75Å; I41-V43 PolarHBondContact O-N 3.18Å
42G72Confident84.9Confident16 Ų1673.9 Ų73.917%0.16540%0.402CS..SBendtrans74.3-116.6-178.300000112.7A65G42-A65 VanDerWaalsContact O-CB 3.24Å; G42-A65 WeakPolarHBondContact O-CB 3.45Å; G42-A65 PolarHBondContact O-N 3.37Å
43V81.6Confident84.9Confident32 Ų3276.9 Ų76.919%0.19442%0.415CS..EExtended strand (participates in β ladder)trans-141.2134.2-174.8-179.80000109.5I41 W62 D63 T64 Y77I41-V43 PolarHBondContact O-N 3.18Å; V43-W62 HydrophobicContact CG1-CB 4.4Å; V43-W62 HydrophobicContact CG1-CE3 3.66Å; V43-W62 HydrophobicContact CG1-CZ3 4.4Å; V43-D63 CarbonylContact C-O 3.5Å; V43-D63 VanDerWaalsContact CA-O 3.29Å; V43-D63 WeakPolarHBondContact CA-O 3.29Å; V43-D63 VanDerWaalsContact CG1-O 3.27Å; V43-D63 WeakPolarHBondContact CG1-O 3.24Å; V43-T64 HydrophobicContact CG2-CG2 4.33Å; V43-Y77 HydrophobicContact CB-CD1 4.5Å; V43-Y77 HydrophobicContact CB-CE1 3.94Å; V43-Y77 HydrophobicContact CB-CE2 4.21Å; V43-Y77 HydrophobicContact CG1-CD1 3.97Å; V43-Y77 HydrophobicContact CG1-CE1 3.76Å; V43-Y77 HydrophobicContact CG1-CG 4.47Å; V43-Y77 HydrophobicContact CG2-CD1 4.31Å; V43-Y77 HydrophobicContact CG2-CD2 3.76Å; V43-Y77 HydrophobicContact CG2-CE1 3.97Å; V43-Y77 HydrophobicContact CG2-CE2 3.4Å; V43-Y77 HydrophobicContact CG2-CG 4.2Å; V43-Y77 VanDerWaalsContact CG2-CZ 3.48Å
44D85.4Confident84.9Confident76 Ų7675.5 Ų75.541%0.40643%0.425SS..EExtended strand (participates in β ladder)trans-107.9157.2170.3-164.510000109.8D63D44-D63 PolarHBondContact N-O 3.35Å; D44-D63 PolarHBondContact O-N 3.47Å
45F87.8Confident85.3Confident113 Ų11374.2 Ų74.250%0.49641%0.412SS..EExtended strand (participates in β ladder)trans-140.6140.917883.7-84.3000112.1I47 I61 W62F45-I47 HydrophobicContact CD2-CG1 4.33Å; F45-I47 HydrophobicContact CE2-CD1 4.26Å; F45-I47 HydrophobicContact CE2-CG1 4.29Å; F45-I61 VanDerWaalsContact CA-O 3.29Å; F45-I61 WeakPolarHBondContact CA-O 3.32Å; F45-W62 HydrophobicContact CB-CD2 4.14Å; F45-W62 HydrophobicContact CB-CE3 3.95Å; F45-W62 HydrophobicContact CB-CZ3 4.26Å
46K93.4Very high86.2Confident60 Ų6076 Ų7626%0.26140%0.4SS..EExtended strand (participates in β ladder)trans-127.5153.6172.3-72-82-176153.80110.5L25 A29 D30 I61L25-K46 HydrophobicContact CD1-CB 3.93Å; L25-K46 HydrophobicContact CD1-CG 4.32Å; L25-K46 HydrophobicContact CD2-CB 4.26Å; L25-K46 HydrophobicContact CD2-CG 4.03Å; L25-K46 HydrophobicContact CG-CB 4.26Å; L25-K46 HydrophobicContact CG-CG 4.1Å; A29-K46 HydrophobicContact CB-CB 3.95Å; A29-K46 HydrophobicContact CB-CD 4.1Å; A29-K46 HydrophobicContact CB-CG 3.99Å; D30-K46 VanDerWaalsContact CG-NZ 3.27Å; D30-K46 IonicContact OD1-NZ 2.66Å; D30-K46 PolarHBondContact OD1-NZ 3.28Å; D30-K46 IonicContact OD2-NZ 2.77Å; D30-K46 PolarHBondContact OD2-NZ 2.82Å; K46-I61 PolarHBondContact N-O 3.13Å; K46-I61 PolarHBondContact O-N 3.46Å
47I94.9Very high87.1Confident78 Ų7872.1 Ų72.140%0.437%0.372SS..EExtended strand (participates in β ladder)trans-118.9125.2175.5-59.1-178.3000108.3F45 K58 L59 Q60F45-I47 HydrophobicContact CD2-CG1 4.33Å; F45-I47 HydrophobicContact CE2-CD1 4.26Å; F45-I47 HydrophobicContact CE2-CG1 4.29Å; I47-K58 HydrophobicContact CG2-CD 4.3Å; I47-K58 VanDerWaalsContact CG2-CE 3.4Å; I47-K58 HydrophobicContact CG2-CG 3.92Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.27Å; I47-Q60 HydrophobicContact CD1-CG 4.43Å; I47-Q60 HydrophobicContact CG1-CG 4.24Å
48R94.9Very high88.3Confident71 Ų7168.3 Ų68.327%0.26836%0.359SS..EExtended strand (participates in β ladder)trans-133137.3171.5-172.9170.1173.8-155.8-10.4108.7F28 V50 L59 E158F28-R48 HydrophobicContact CE1-CB 4.06Å; F28-R48 HydrophobicContact CE1-CG 4.21Å; F28-R48 WeakPolarHBondContact O-CD 3.29Å; F28-R48 PolarHBondContact O-NH1 3.37Å; R48-V50 HydrophobicContact CG-CG1 4.39Å; R48-L59 PolarHBondContact N-O 3.25Å; R48-L59 VanDerWaalsContact N-O 3.14Å; R48-L59 WeakPolarHBondContact O-CB 3.49Å; R48-L59 PolarHBondContact O-N 3.35Å; R48-E158 IonicContact CZ-OE1 2.68Å; R48-E158 IonicContact NH1-OE1 3.04Å; R48-E158 IonicContact NH2-OE1 2.72Å; R48-E158 PolarHBondContact NH2-OE1 2.85Å
49T95.7Very high89.3Confident74 Ų7461.8 Ų61.845%0.45433%0.325SS..EExtended strand (participates in β ladder)trans-99.5129.7172-53.40000107.9V57T49-V57 WeakPolarHBondContact CA-O 3.39Å
50V95.6Very high90.3Very high12 Ų1262.1 Ų62.17%0.07332%0.323CS..EExtended strand (participates in β ladder)trans-120.8157.4176.4-63.50000109.4F28 R48 I52 V57 L59 T165F28-V50 HydrophobicContact CZ-CG1 3.88Å; R48-V50 HydrophobicContact CG-CG1 4.39Å; V50-I52 HydrophobicContact CG2-CG1 3.99Å; V50-V57 HydrophobicContact CG2-CB 4.18Å; V50-V57 PolarHBondContact N-O 3.34Å; V50-V57 PolarHBondContact O-N 3.09Å; V50-L59 HydrophobicContact CG1-CD1 4.3Å; V50-L59 HydrophobicContact CG2-CD1 3.86Å; V50-L59 HydrophobicContact CG2-CG 4.19Å; V50-T165 HydrophobicContact CG2-CG2 4.17Å
51E95.1Very high91.3Very high133 Ų13360.8 Ų60.862%0.62132%0.315SS*.EExtended strand (participates in β ladder)trans-109.4120173.7-169.5174.2154.700108.8E55E51-E55 WeakPolarHBondContact CA-O 3.48Å
52I93.4Very high92.3Very high7 Ų756.7 Ų56.74%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-127118.7-176.9-63.1-65.3000107.8V50 G54 E55 V57 N162 T165 E166 L169V50-I52 HydrophobicContact CG2-CG1 3.99Å; I52-G54 PolarHBondContact O-N 2.9Å; I52-E55 PolarHBondContact N-O 3.22Å; I52-E55 PolarHBondContact O-N 3.33Å; I52-V57 HydrophobicContact CB-CG2 4.49Å; I52-N162 HydrophobicContact CD1-CB 4.01Å; I52-T165 HydrophobicContact CG1-CG2 3.9Å; I52-E166 HydrophobicContact CG2-CG 3.38Å; I52-L169 HydrophobicContact CB-CD2 4.41Å; I52-L169 HydrophobicContact CG2-CD2 3.97Å
53N89.9Confident93.2Very high133 Ų13356 Ų5671%0.71128%0.282SS*.THydrogen-bonded Turntrans52.937.1-178.4-60.6-50000113.7E55N53-E55 VanDerWaalsContact C-N 3.27Å; N53-E55 PolarHBondContact O-N 3.05Å
54G90.9Very high93.4Very high55 Ų5554.5 Ų54.557%0.56727%0.273SS*.THydrogen-bonded Turntrans77.44.1-178.200000115.1I52I52-G54 PolarHBondContact O-N 2.9Å
55E93.9Very high93.1Very high37 Ų3751 Ų5117%0.17326%0.255CS..EExtended strand (participates in β ladder)trans-103.5133.2175.1-65.3-176.9159.500110.8Y7 E51 I52 N53 V57 L169 K173Y7-E55 HydrophobicContact CD2-CB 4.29Å; Y7-E55 HydrophobicContact CE2-CB 4.09Å; Y7-E55 HydrophobicContact CE2-CG 4.09Å; Y7-E55 WeakPolarHBondContact CE2-OE2 3.29Å; Y7-E55 PolarHBondContact OH-OE1 3.14Å; E51-E55 WeakPolarHBondContact CA-O 3.48Å; I52-E55 PolarHBondContact N-O 3.22Å; I52-E55 PolarHBondContact O-N 3.33Å; N53-E55 VanDerWaalsContact C-N 3.27Å; N53-E55 PolarHBondContact O-N 3.05Å; E55-V57 PolarHBondContact O-N 3.38Å; E55-L169 WeakPolarHBondContact OE2-CD1 3.42Å; E55-L169 WeakPolarHBondContact OE2-CD2 3.36Å; E55-K173 WeakPolarHBondContact OE1-CE 3.27Å; E55-K173 IonicContact OE1-NZ 2.77Å; E55-K173 PolarHBondContact OE1-NZ 3.46Å; E55-K173 WeakPolarHBondContact OE2-CE 3.38Å; E55-K173 IonicContact OE2-NZ 2.77Å; E55-K173 PolarHBondContact OE2-NZ 3.28Å
56K96.2Very high92.1Very high109 Ų10946 Ų4647%0.47424%0.235SC..EExtended strand (participates in β ladder)trans-82.3110.3176.9-69.8-178.9179.9179.40109.7D6 Y7D6-K56 PolarHBondContact N-O 3.03Å; D6-K56 PolarHBondContact OD2-N 3.08Å; Y7-K56 PolarHBondContact N-O 3.48Å
57V97.5Very high90.9Very high0 Ų045.1 Ų45.10%023%0.232CC..EExtended strand (participates in β ladder)trans-108.6116.2-178.4-174.50000109.8Y7 F9 T49 V50 I52 E55 L59 T165 L169Y7-V57 HydrophobicContact CD2-CG2 4.43Å; F9-V57 HydrophobicContact CD2-CG1 3.34Å; F9-V57 HydrophobicContact CE2-CG1 3.64Å; F9-V57 HydrophobicContact CG-CG1 4.29Å; T49-V57 WeakPolarHBondContact CA-O 3.39Å; V50-V57 HydrophobicContact CG2-CB 4.18Å; V50-V57 PolarHBondContact N-O 3.34Å; V50-V57 PolarHBondContact O-N 3.09Å; I52-V57 HydrophobicContact CB-CG2 4.49Å; E55-V57 PolarHBondContact O-N 3.38Å; V57-L59 HydrophobicContact CG1-CD2 3.84Å; V57-T165 HydrophobicContact CB-CG2 4.14Å; V57-T165 HydrophobicContact CG1-CG2 3.77Å; V57-T165 HydrophobicContact CG2-CG2 4.36Å; V57-L169 HydrophobicContact CG2-CD2 4.41Å
58K97.1Very high89.2Confident63 Ų6347.2 Ų47.227%0.27424%0.24SC..EExtended strand (participates in β ladder)trans-85.7118.5172.6-170.7168.8-173.1171.60109.4Y5 Y7 L8 F9 I47Y5-K58 HydrophobicContact CD1-CB 4.18Å; Y5-K58 HydrophobicContact CD1-CD 3.66Å; Y5-K58 HydrophobicContact CD2-CB 4.17Å; Y5-K58 HydrophobicContact CE1-CD 3.79Å; Y5-K58 HydrophobicContact CG-CB 3.85Å; Y5-K58 HydrophobicContact CG-CD 4.2Å; Y7-K58 PolarHBondContact O-N 3.45Å; L8-K58 WeakPolarHBondContact CA-O 3.42Å; L8-K58 HydrophobicContact CD1-CB 3.94Å; L8-K58 HydrophobicContact CD1-CD 4.16Å; L8-K58 HydrophobicContact CD1-CG 3.87Å; L8-K58 WeakPolarHBondContact CD1-O 3.42Å; F9-K58 PolarHBondContact N-O 2.81Å; I47-K58 HydrophobicContact CG2-CD 4.3Å; I47-K58 VanDerWaalsContact CG2-CE 3.4Å; I47-K58 HydrophobicContact CG2-CG 3.92Å
59L97.4Very high87.6Confident0 Ų052.6 Ų52.60%026%0.261CS..EExtended strand (participates in β ladder)trans-99129.8178.3-57.6176.5000110F9 L11 F28 I47 R48 V50 V57 I61 T165F9-L59 HydrophobicContact CB-CD2 4.12Å; F9-L59 HydrophobicContact CD2-CD2 4.45Å; L11-L59 HydrophobicContact CD1-CD1 4.27Å; L11-L59 HydrophobicContact CD1-CD2 4.06Å; L11-L59 HydrophobicContact CG-CD2 4.38Å; F28-L59 HydrophobicContact CE1-CD1 4.19Å; F28-L59 HydrophobicContact CZ-CD1 4.2Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.27Å; R48-L59 PolarHBondContact N-O 3.25Å; R48-L59 VanDerWaalsContact N-O 3.14Å; R48-L59 WeakPolarHBondContact O-CB 3.49Å; R48-L59 PolarHBondContact O-N 3.35Å; V50-L59 HydrophobicContact CG1-CD1 4.3Å; V50-L59 HydrophobicContact CG2-CD1 3.86Å; V50-L59 HydrophobicContact CG2-CG 4.19Å; V57-L59 HydrophobicContact CG1-CD2 3.84Å; L59-I61 HydrophobicContact CB-CD1 4.23Å; L59-I61 HydrophobicContact CB-CG1 4.02Å; L59-T165 WeakPolarHBondContact CD1-OG1 3.47Å; L59-T165 HydrophobicContact CD2-CG2 3.92Å
60Q96.3Very high86Confident60 Ų6051.8 Ų51.828%0.2825%0.251SS..EExtended strand (participates in β ladder)trans-105.6105.7164.6-69.4179.6-25.600107.6L8 F9 K10 L11 I47L8-Q60 HydrophobicContact CD1-CG 3.88Å; F9-Q60 PolarHBondContact O-N 3.08Å; K10-Q60 CarbonylContact C-O 3.59Å; K10-Q60 WeakPolarHBondContact CA-O 3.13Å; L11-Q60 PolarHBondContact N-O 3.46Å; I47-Q60 HydrophobicContact CD1-CG 4.43Å; I47-Q60 HydrophobicContact CG1-CG 4.24Å
61I96Very high84.4Confident1 Ų152.7 Ų52.71%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-106121-173.7-53.3163.3000108.3L11 I13 L25 F28 F45 K46 L59 F161L11-I61 HydrophobicContact CB-CG1 4.26Å; L11-I61 HydrophobicContact CB-CG2 4.47Å; L11-I61 HydrophobicContact CD1-CG1 4.32Å; L11-I61 WeakPolarHBondContact O-CA 3.34Å; I13-I61 HydrophobicContact CD1-CG2 3.71Å; I13-I61 HydrophobicContact CG1-CG2 3.86Å; L25-I61 HydrophobicContact CD1-CB 3.72Å; L25-I61 HydrophobicContact CD1-CD1 4.12Å; L25-I61 HydrophobicContact CD1-CG2 3.52Å; F28-I61 HydrophobicContact CD1-CD1 3.62Å; F28-I61 HydrophobicContact CE1-CD1 3.55Å; F45-I61 VanDerWaalsContact CA-O 3.29Å; F45-I61 WeakPolarHBondContact CA-O 3.32Å; K46-I61 PolarHBondContact N-O 3.13Å; K46-I61 PolarHBondContact O-N 3.46Å; L59-I61 HydrophobicContact CB-CD1 4.23Å; L59-I61 HydrophobicContact CB-CG1 4.02Å; I61-F161 HydrophobicContact CD1-CD1 4.07Å; I61-F161 HydrophobicContact CD1-CE1 3.78Å; I61-F161 HydrophobicContact CD1-CZ 4.5Å; I61-F161 HydrophobicContact CG1-CE1 4.39Å; I61-F161 HydrophobicContact CG2-CE1 4.05Å
62W93.5Very high82.8Confident60 Ų6052.2 Ų52.223%0.22726%0.259CS..EExtended strand (participates in β ladder)trans-103.8117.5-178.3-63.378000109.2L11 L12 I13 V43 F45 Y77L11-W62 PolarHBondContact O-N 3.06Å; L12-W62 HydrophobicContact CD1-CB 3.67Å; I13-W62 PolarHBondContact N-O 3.08Å; V43-W62 HydrophobicContact CG1-CB 4.4Å; V43-W62 HydrophobicContact CG1-CE3 3.66Å; V43-W62 HydrophobicContact CG1-CZ3 4.4Å; F45-W62 HydrophobicContact CB-CD2 4.14Å; F45-W62 HydrophobicContact CB-CE3 3.95Å; F45-W62 HydrophobicContact CB-CZ3 4.26Å; W62-Y77 HydrophobicContact CD2-CD1 4.21Å; W62-Y77 AromaticContact CE3-CD1 3.55Å; W62-Y77 HydrophobicContact CE3-CD1 3.55Å; W62-Y77 AromaticContact CE3-CE1 3.66Å; W62-Y77 HydrophobicContact CE3-CE1 3.66Å; W62-Y77 HydrophobicContact CH2-CE1 4.4Å; W62-Y77 AromaticContact CZ3-CD1 3.78Å; W62-Y77 HydrophobicContact CZ3-CD1 3.78Å; W62-Y77 AromaticContact CZ3-CE1 3.49Å; W62-Y77 HydrophobicContact CZ3-CE1 3.49Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.49Å
63D90.9Very high81.3Confident2 Ų255.6 Ų55.61%0.01128%0.276CS..EExtended strand (participates in β ladder)trans-95.6126.2173.517545.1000110K21 S22 L25 V43 D44K21-D63 WeakPolarHBondContact CB-OD1 3.44Å; S22-D63 WeakPolarHBondContact CA-OD2 3.37Å; S22-D63 VanDerWaalsContact CB-OD2 3.24Å; S22-D63 WeakPolarHBondContact CB-OD2 3.44Å; S22-D63 PolarHBondContact OG-OD2 3.38Å; L25-D63 HydrophobicContact CD2-CB 3.54Å; V43-D63 CarbonylContact C-O 3.5Å; V43-D63 VanDerWaalsContact CA-O 3.29Å; V43-D63 WeakPolarHBondContact CA-O 3.29Å; V43-D63 VanDerWaalsContact CG1-O 3.27Å; V43-D63 WeakPolarHBondContact CG1-O 3.24Å; D44-D63 PolarHBondContact N-O 3.35Å; D44-D63 PolarHBondContact O-N 3.47Å
64T85.8Confident80.2Confident0 Ų049.4 Ų49.40%024%0.244CC..EExtended strand (participates in β ladder)trans-106.3147.1-173.762.20000111.9L12 I13 K21 V43 G66 T74L12-T64 HydrophobicContact CD1-CG2 3.49Å; L12-T64 VanDerWaalsContact CD1-CG2 3.49Å; L12-T64 HydrophobicContact CG-CG2 4.27Å; I13-T64 PolarHBondContact O-N 3.16Å; I13-T64 PolarHBondContact O-OG1 3.37Å; K21-T64 WeakPolarHBondContact CE-O 3.42Å; V43-T64 HydrophobicContact CG2-CG2 4.33Å; T64-G66 PolarHBondContact O-N 2.96Å; T64-T74 HydrophobicContact CG2-CG2 4.01Å
65A79.4Confident79.3Confident3 Ų349.1 Ų49.13%0.02523%0.233CC..  trans-61.7127.2168.600000110.5T40 G42 Q67 F70T40-A65 WeakPolarHBondContact O-CB 3.34Å; G42-A65 VanDerWaalsContact O-CB 3.24Å; G42-A65 WeakPolarHBondContact O-CB 3.45Å; G42-A65 PolarHBondContact O-N 3.37Å; A65-Q67 VanDerWaalsContact C-N 3.3Å; A65-Q67 PolarHBondContact O-N 2.94Å; A65-F70 HydrophobicContact CB-CB 3.97Å; A65-F70 HydrophobicContact CB-CD2 3.85Å; A65-F70 HydrophobicContact CB-CG 4.22Å
66G66.8Low78.6Confident8 Ų852.4 Ų52.48%0.08226%0.256CS..  trans-83.41.1178.500000114.9G15 S17 T64G15-G66 VanDerWaalsContact O-CA 3.29Å; G15-G66 WeakPolarHBondContact O-CA 3.46Å; S17-G66 PolarHBondContact N-O 2.84Å; S17-G66 VanDerWaalsContact N-O 3.12Å; T64-G66 PolarHBondContact O-N 2.96Å
67Q67.3Low78Confident41 Ų4150.1 Ų50.119%0.19224%0.244CC..SBendtrans-81.8137.5177.8-78.4-155-1.200111.3A65 R69 F70A65-Q67 VanDerWaalsContact C-N 3.3Å; A65-Q67 PolarHBondContact O-N 2.94Å; Q67-R69 PolarHBondContact O-N 2.83Å; Q67-R69 VanDerWaalsContact O-N 3.11Å; Q67-R69 VanDerWaalsContact OE1-NE 3.11Å; Q67-F70 HydrophobicContact CB-CD2 4.12Å; Q67-F70 PolarHBondContact O-N 2.82Å
68E60.5Low77.4Confident123 Ų12350.2 Ų50.258%0.57525%0.245SC*.G310 helixtrans-57-29.5177.561.1-74.4154.400113.7F70 R71E68-F70 PolarHBondContact O-N 2.83Å; E68-F70 VanDerWaalsContact O-N 3.16Å; E68-R71 WeakPolarHBondContact O-CB 3.47Å; E68-R71 PolarHBondContact O-N 3.13Å; E68-R71 VanDerWaalsContact O-N 3.13Å
69R60.5Low76.9Confident184 Ų18457.6 Ų57.669%0.69427%0.271SS*.G310 helixtrans-61.9-20.8177.3-65-172.1-68.7-178.6-0.7113.9Q67Q67-R69 PolarHBondContact O-N 2.83Å; Q67-R69 VanDerWaalsContact O-N 3.11Å; Q67-R69 VanDerWaalsContact OE1-NE 3.11Å
70F62.1Low76.5Confident56 Ų5660.1 Ų60.125%0.24630%0.297CS..G310 helixtrans-107.53.6178.7-60.1-62.6000113.5A65 Q67 E68 T72 I73 T74A65-F70 HydrophobicContact CB-CB 3.97Å; A65-F70 HydrophobicContact CB-CD2 3.85Å; A65-F70 HydrophobicContact CB-CG 4.22Å; Q67-F70 HydrophobicContact CB-CD2 4.12Å; Q67-F70 PolarHBondContact O-N 2.82Å; E68-F70 PolarHBondContact O-N 2.83Å; E68-F70 VanDerWaalsContact O-N 3.16Å; F70-T72 VanDerWaalsContact C-N 3.31Å; F70-T72 PolarHBondContact O-N 3.16Å; F70-I73 HydrophobicContact CD1-CD1 3.95Å; F70-I73 VanDerWaalsContact O-CB 3.31Å; F70-I73 WeakPolarHBondContact O-CB 3.48Å; F70-I73 PolarHBondContact O-N 3.16Å; F70-T74 PolarHBondContact O-N 3.1Å; F70-T74 PolarHBondContact O-OG1 3.11Å
71R62.3Low76.4Confident32 Ų3258 Ų5812%0.12129%0.288CS..Hα-helixtrans-59.3-35.4-177.6-88.3-179158.1131.2-0.5114.5E68 I73 T74 R101 W102 E105E68-R71 WeakPolarHBondContact O-CB 3.47Å; E68-R71 PolarHBondContact O-N 3.13Å; E68-R71 VanDerWaalsContact O-N 3.13Å; R71-I73 PolarHBondContact O-N 3.38Å; R71-T74 WeakPolarHBondContact O-CB 3.24Å; R71-T74 PolarHBondContact O-N 3.27Å; R71-T74 VanDerWaalsContact O-N 3.12Å; R71-R101 VanDerWaalsContact NH1-NH2 3.13Å; R71-W102 HydrophobicContact CG-CH2 4.45Å; R71-E105 IonicContact NE-OE2 3.93Å
72T60.5Low76.4Confident122 Ų12261.1 Ų61.175%0.74830%0.303SS*.Hα-helixtrans-60.9-33176.8-50.50000111.6F70 S75F70-T72 VanDerWaalsContact C-N 3.31Å; F70-T72 PolarHBondContact O-N 3.16Å; T72-S75 PolarHBondContact O-OG 3.01Å
73I62.8Low76.5Confident78 Ų7858.3 Ų58.340%0.429%0.292SS..Hα-helixtrans-71.2-37.2178.1-60175.6000110.3F70 R71 S75 T76 Y77F70-I73 HydrophobicContact CD1-CD1 3.95Å; F70-I73 VanDerWaalsContact O-CB 3.31Å; F70-I73 WeakPolarHBondContact O-CB 3.48Å; F70-I73 PolarHBondContact O-N 3.16Å; R71-I73 PolarHBondContact O-N 3.38Å; I73-S75 VanDerWaalsContact C-N 3.29Å; I73-S75 PolarHBondContact O-N 3.22Å; I73-T76 PolarHBondContact O-N 2.84Å; I73-Y77 HydrophobicContact CG2-CE2 3.75Å; I73-Y77 WeakPolarHBondContact O-CD2 3.27Å; I73-Y77 WeakPolarHBondContact O-CE2 3.39Å
74T67.1Low76.8Confident4 Ų458.2 Ų58.23%0.02529%0.292CS..Hα-helixtrans-58.1-35.9-179.3-45.90000113.2T64 F70 R71 T76 Y77 Y78T64-T74 HydrophobicContact CG2-CG2 4.01Å; F70-T74 PolarHBondContact O-N 3.1Å; F70-T74 PolarHBondContact O-OG1 3.11Å; R71-T74 WeakPolarHBondContact O-CB 3.24Å; R71-T74 PolarHBondContact O-N 3.27Å; R71-T74 VanDerWaalsContact O-N 3.12Å; T74-T76 PolarHBondContact O-N 2.95Å; T74-T76 VanDerWaalsContact O-N 3.11Å; T74-Y77 WeakPolarHBondContact O-CB 3.14Å; T74-Y77 PolarHBondContact O-N 3.28Å; T74-Y78 HydrophobicContact CG2-CD2 4.42Å; T74-Y78 HydrophobicContact CG2-CE2 3.64Å; T74-Y78 VanDerWaalsContact O-CD2 3.27Å; T74-Y78 WeakPolarHBondContact O-CD2 3.41Å
75S71.1Confident77.4Confident49 Ų4958.2 Ų58.234%0.34329%0.292SS..Hα-helixtrans-50.9-38.6-179.366.70000113.7T72 I73 Y77 Y78T72-S75 PolarHBondContact O-OG 3.01Å; I73-S75 VanDerWaalsContact C-N 3.29Å; I73-S75 PolarHBondContact O-N 3.22Å; S75-Y77 PolarHBondContact O-N 3.22Å; S75-Y78 PolarHBondContact O-N 3.17Å
76T78.6Confident78.3Confident106 Ų10658 Ų5865%0.6529%0.29SS*.Hα-helixtrans-68.1-25.9-178.7-58.20000112.1I73 T74I73-T76 PolarHBondContact O-N 2.84Å; T74-T76 PolarHBondContact O-N 2.95Å; T74-T76 VanDerWaalsContact O-N 3.11Å
77Y83.7Confident79.7Confident60 Ų6057.7 Ų57.724%0.23529%0.287CS..Hα-helixtrans-84.3-14.9-177.1-62-87.4000113.3K10 V43 W62 I73 T74 S75 R79 T81K10-Y77 VanDerWaalsContact CE-O 3.25Å; K10-Y77 WeakPolarHBondContact CE-O 3.48Å; K10-Y77 PolarHBondContact NZ-O 3.16Å; V43-Y77 HydrophobicContact CB-CD1 4.5Å; V43-Y77 HydrophobicContact CB-CE1 3.94Å; V43-Y77 HydrophobicContact CB-CE2 4.21Å; V43-Y77 HydrophobicContact CG1-CD1 3.97Å; V43-Y77 HydrophobicContact CG1-CE1 3.76Å; V43-Y77 HydrophobicContact CG1-CG 4.47Å; V43-Y77 HydrophobicContact CG2-CD1 4.31Å; V43-Y77 HydrophobicContact CG2-CD2 3.76Å; V43-Y77 HydrophobicContact CG2-CE1 3.97Å; V43-Y77 HydrophobicContact CG2-CE2 3.4Å; V43-Y77 HydrophobicContact CG2-CG 4.2Å; V43-Y77 VanDerWaalsContact CG2-CZ 3.48Å; W62-Y77 HydrophobicContact CD2-CD1 4.21Å; W62-Y77 AromaticContact CE3-CD1 3.55Å; W62-Y77 HydrophobicContact CE3-CD1 3.55Å; W62-Y77 AromaticContact CE3-CE1 3.66Å; W62-Y77 HydrophobicContact CE3-CE1 3.66Å; W62-Y77 HydrophobicContact CH2-CE1 4.4Å; W62-Y77 AromaticContact CZ3-CD1 3.78Å; W62-Y77 HydrophobicContact CZ3-CD1 3.78Å; W62-Y77 AromaticContact CZ3-CE1 3.49Å; W62-Y77 HydrophobicContact CZ3-CE1 3.49Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.49Å; I73-Y77 HydrophobicContact CG2-CE2 3.75Å; I73-Y77 WeakPolarHBondContact O-CD2 3.27Å; I73-Y77 WeakPolarHBondContact O-CE2 3.39Å; T74-Y77 WeakPolarHBondContact O-CB 3.14Å; T74-Y77 PolarHBondContact O-N 3.28Å; S75-Y77 PolarHBondContact O-N 3.22Å; Y77-R79 VanDerWaalsContact C-N 3.29Å; Y77-R79 PolarHBondContact O-N 3.05Å; Y77-T81 PolarHBondContact O-OG1 3.02Å
78Y85.9Confident81.2Confident2 Ų255.8 Ų55.81%0.00828%0.278CS..Hα-helixtrans-66.8-30.8173.8-75.4-85.9000112.4L12 I14 T74 S75 G80 T81 E105 I106 N109 C110L12-Y78 HydrophobicContact CD2-CD1 3.84Å; L12-Y78 HydrophobicContact CD2-CD2 4.42Å; L12-Y78 HydrophobicContact CD2-CE1 3.84Å; L12-Y78 HydrophobicContact CD2-CE2 4.44Å; L12-Y78 HydrophobicContact CD2-CG 4.15Å; I14-Y78 HydrophobicContact CD1-CE1 4.45Å; I14-Y78 WeakPolarHBondContact CD1-OH 3.4Å; T74-Y78 HydrophobicContact CG2-CD2 4.42Å; T74-Y78 HydrophobicContact CG2-CE2 3.64Å; T74-Y78 VanDerWaalsContact O-CD2 3.27Å; T74-Y78 WeakPolarHBondContact O-CD2 3.41Å; S75-Y78 PolarHBondContact O-N 3.17Å; Y78-G80 PolarHBondContact O-N 3.43Å; Y78-T81 VanDerWaalsContact O-CB 3.26Å; Y78-T81 WeakPolarHBondContact O-CB 3.35Å; Y78-T81 PolarHBondContact O-N 3.37Å; Y78-T81 VanDerWaalsContact O-N 3.13Å; Y78-T81 PolarHBondContact O-OG1 3.1Å; Y78-E105 HydrophobicContact CE2-CG 4.07Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.46Å; Y78-E105 WeakPolarHBondContact OH-CG 3.29Å; Y78-E105 PolarHBondContact OH-OE1 3.41Å; Y78-I106 HydrophobicContact CE1-CG1 3.91Å; Y78-N109 HydrophobicContact CD1-CB 4.07Å; Y78-N109 HydrophobicContact CD2-CB 4.06Å; Y78-N109 HydrophobicContact CG-CB 3.64Å; Y78-C110 PolarHBondContact O-SG 3.25Å
79R86.6Confident83Confident218 Ų21850.4 Ų50.482%0.82325%0.253SS*.THydrogen-bonded Turntrans-60.2127.3-179.7-170.8178.9179117.8-0.1111.7K10 Y77 T81K10-R79 PolarHBondContact NZ-O 3.3Å; Y77-R79 VanDerWaalsContact C-N 3.29Å; Y77-R79 PolarHBondContact O-N 3.05Å; R79-T81 PolarHBondContact O-N 3.27Å
80G88.8Confident84.8Confident54 Ų5441.7 Ų41.756%0.55722%0.22SC*.THydrogen-bonded Turntrans71.413.2177.900000114.3Y78 H82Y78-G80 PolarHBondContact O-N 3.43Å; G80-H82 PolarHBondContact O-CE1 3.38Å; G80-H82 PolarHBondContact O-ND1 3.43Å
81T93.9Very high86.5Confident14 Ų1441.4 Ų41.49%0.08622%0.223CC..  trans-73.8133.6172.7-65.30000109.8K10 L12 Y77 Y78 R79 G83 V84 V113K10-T81 WeakPolarHBondContact CE-OG1 3.4Å; L12-T81 HydrophobicContact CB-CG2 3.73Å; Y77-T81 PolarHBondContact O-OG1 3.02Å; Y78-T81 VanDerWaalsContact O-CB 3.26Å; Y78-T81 WeakPolarHBondContact O-CB 3.35Å; Y78-T81 PolarHBondContact O-N 3.37Å; Y78-T81 VanDerWaalsContact O-N 3.13Å; Y78-T81 PolarHBondContact O-OG1 3.1Å; R79-T81 PolarHBondContact O-N 3.27Å; T81-G83 WeakPolarHBondContact CG2-O 2.88Å; T81-V84 HydrophobicContact CG2-CG2 3.76Å; T81-V113 HydrophobicContact CG2-CG2 4.2Å
82H96.1Very high88.1Confident68 Ų6841.6 Ų41.632%0.31523%0.229SC..SBendtrans-98.2-32.6-179.1-5878.8000111.6F9 K10 G80 V113 C114 V168F9-H82 HydrophobicContact CB-CB 4.42Å; F9-H82 HydrophobicContact CD1-CB 4.41Å; F9-H82 AromaticContact CD1-CD2 3.93Å; K10-H82 PolarHBondContact N-ND1 3.02Å; K10-H82 VanDerWaalsContact N-ND1 3.1Å; K10-H82 PolarHBondContact O-N 3.34Å; G80-H82 PolarHBondContact O-CE1 3.38Å; G80-H82 PolarHBondContact O-ND1 3.43Å; H82-V113 VanDerWaalsContact C-CG2 3.5Å; H82-V113 WeakPolarHBondContact O-CG2 3.48Å; H82-C114 PolarHBondContact O-N 3.49Å; H82-V168 HydrophobicContact CB-CG1 3.57Å; H82-V168 HydrophobicContact CB-CG2 4.32Å; H82-V168 WeakPolarHBondContact O-CG2 3.42Å
83G96.8Very high89.8Confident0 Ų038.3 Ų38.30%021%0.214CC..EExtended strand (participates in β ladder)trans-141.3143.3176.500000112.1K10 L11 L12 T81 C114K10-G83 PolarHBondContact O-N 3.07Å; L11-G83 VanDerWaalsContact CA-O 3.31Å; L11-G83 WeakPolarHBondContact CA-O 3.47Å; L12-G83 PolarHBondContact N-O 3.44Å; T81-G83 WeakPolarHBondContact CG2-O 2.88Å; G83-C114 CarbonylContact C-O 3.54Å; G83-C114 VanDerWaalsContact CA-O 3.27Å; G83-C114 WeakPolarHBondContact CA-O 3.49Å
84V96.8Very high91.5Very high0 Ų041.3 Ų41.30%023%0.227CC..EExtended strand (participates in β ladder)trans-120.7131.7177.2-171.50000110.3L12 I14 T81 V86 I106 V113 C114 R115 I116L12-V84 HydrophobicContact CB-CG2 4.5Å; L12-V84 CarbonylContact O-C 3.58Å; L12-V84 WeakPolarHBondContact O-CA 3.34Å; I14-V84 HydrophobicContact CD1-CG1 3.79Å; I14-V84 HydrophobicContact CG1-CG1 3.82Å; I14-V84 HydrophobicContact CG2-CG1 4.44Å; T81-V84 HydrophobicContact CG2-CG2 3.76Å; V84-V86 HydrophobicContact CG1-CG2 4.33Å; V84-I106 HydrophobicContact CB-CD1 4.05Å; V84-I106 HydrophobicContact CB-CG1 4.41Å; V84-I106 HydrophobicContact CG1-CD1 3.64Å; V84-I106 HydrophobicContact CG1-CG1 3.98Å; V84-I106 HydrophobicContact CG2-CG1 4.35Å; V84-I106 HydrophobicContact CG2-CG2 4.36Å; V84-V113 HydrophobicContact CG2-CG1 4.22Å; V84-V113 HydrophobicContact CG2-CG2 3.84Å; V84-C114 PolarHBondContact N-O 3.37Å; V84-R115 WeakPolarHBondContact O-CA 3.38Å; V84-I116 PolarHBondContact O-N 2.95Å; V84-I116 VanDerWaalsContact O-N 3.11Å
85I97.9Very high92.9Very high0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-106.2112176.3-52.6176.3000107L12 I13 I14 V87 I116 V118 M160 F161 I164L12-I85 PolarHBondContact O-N 3.33Å; I13-I85 WeakPolarHBondContact CA-O 3.44Å; I13-I85 HydrophobicContact CG1-CB 4.47Å; I13-I85 HydrophobicContact CG1-CD1 4.31Å; I13-I85 HydrophobicContact CG2-CB 4.42Å; I14-I85 PolarHBondContact N-O 3.47Å; I85-V87 HydrophobicContact CG2-CG2 4Å; I85-I116 HydrophobicContact CB-CG1 4.33Å; I85-I116 HydrophobicContact CG1-CD1 4.06Å; I85-I116 HydrophobicContact CG1-CG1 4.05Å; I85-I116 HydrophobicContact CG2-CD1 4.11Å; I85-I116 HydrophobicContact CG2-CG1 4.18Å; I85-V118 HydrophobicContact CG2-CB 4.34Å; I85-V118 HydrophobicContact CG2-CG2 3.49Å; I85-V118 VanDerWaalsContact CG2-CG2 3.49Å; I85-M160 HydrophobicContact CD1-SD 3.85Å; I85-M160 HydrophobicContact CG1-SD 4.43Å; I85-M160 HydrophobicContact CG2-CE 4.41Å; I85-M160 HydrophobicContact CG2-SD 3.89Å; I85-F161 HydrophobicContact CD1-CD1 3.8Å; I85-F161 HydrophobicContact CD1-CE1 3.41Å; I85-F161 VanDerWaalsContact CD1-CE1 3.41Å; I85-F161 HydrophobicContact CD1-CZ 4.07Å; I85-I164 HydrophobicContact CD1-CG2 4.17Å; I85-I164 HydrophobicContact CG1-CG2 4.39Å
86V97.4Very high94.2Very high0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-96.9114.4179.5-174.90000108.2I14 V84 V99 W102 L103 I106 I116 L117 V118I14-V86 HydrophobicContact CD1-CG2 4.14Å; I14-V86 HydrophobicContact CG1-CB 4.49Å; I14-V86 HydrophobicContact CG1-CG2 4.05Å; V84-V86 HydrophobicContact CG1-CG2 4.33Å; V86-V99 HydrophobicContact CG1-CG1 4Å; V86-V99 HydrophobicContact CG1-CG2 4.46Å; V86-W102 HydrophobicContact CG1-CB 3.94Å; V86-L103 HydrophobicContact CG2-CD2 4.05Å; V86-I106 HydrophobicContact CG2-CD1 3.56Å; V86-I116 PolarHBondContact N-O 3.48Å; V86-L117 HydrophobicContact CB-CD1 4.29Å; V86-L117 HydrophobicContact CG1-CD1 4.23Å; V86-V118 PolarHBondContact O-N 3.15Å
87V98.1Very high95Very high1 Ų140.7 Ų40.71%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-107.2131-173.6-169.30000110.4I13 I14 G15 V19 K21 L24 I85 V118 N120I13-V87 HydrophobicContact CG2-CG2 3.54Å; I14-V87 PolarHBondContact O-N 3.32Å; G15-V87 WeakPolarHBondContact CA-O 3.46Å; V19-V87 HydrophobicContact CB-CG1 4.31Å; V19-V87 HydrophobicContact CG2-CB 3.95Å; V19-V87 HydrophobicContact CG2-CG1 3.81Å; K21-V87 HydrophobicContact CG-CB 4.06Å; K21-V87 HydrophobicContact CG-CG2 4.14Å; L24-V87 HydrophobicContact CD1-CG1 3.94Å; L24-V87 HydrophobicContact CD1-CG2 4.07Å; I85-V87 HydrophobicContact CG2-CG2 4Å; V87-V118 CarbonylContact C-O 3.42Å; V87-V118 WeakPolarHBondContact CA-O 3.31Å; V87-V118 HydrophobicContact CG2-CB 4.32Å; V87-N120 HydrophobicContact CG1-CB 3.85Å
88Y98.3Very high95.6Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-122.7168.5164.774.8-84000109.7V90 F96 V99 L117 V118 N120 V130 A135 L146Y88-V90 HydrophobicContact CE2-CG1 3.99Å; Y88-F96 AromaticContact CD1-CD2 3.98Å; Y88-F96 HydrophobicContact CD1-CD2 3.98Å; Y88-F96 HydrophobicContact CD2-CB 3.82Å; Y88-F96 AromaticContact CD2-CD2 3.79Å; Y88-F96 HydrophobicContact CD2-CD2 3.79Å; Y88-F96 HydrophobicContact CD2-CG 4.24Å; Y88-F96 AromaticContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CE2 4.25Å; Y88-F96 HydrophobicContact CE2-CB 4.32Å; Y88-F96 AromaticContact CE2-CD2 3.75Å; Y88-F96 HydrophobicContact CE2-CD2 3.75Å; Y88-F96 HydrophobicContact CE2-CG 4.35Å; Y88-F96 HydrophobicContact CG-CB 4.28Å; Y88-F96 AromaticContact CG-CD2 3.91Å; Y88-F96 HydrophobicContact CG-CD2 3.91Å; Y88-F96 AromaticContact CZ-CD2 3.82Å; Y88-V99 HydrophobicContact CD1-CG2 4.22Å; Y88-V99 HydrophobicContact CG-CG2 4.29Å; Y88-L117 HydrophobicContact CD1-CD1 3.72Å; Y88-L117 HydrophobicContact CD1-CG 4.16Å; Y88-L117 HydrophobicContact CE1-CD1 4.01Å; Y88-L117 HydrophobicContact CE1-CD2 4.26Å; Y88-L117 HydrophobicContact CE1-CG 3.91Å; Y88-V118 VanDerWaalsContact CD1-O 3.25Å; Y88-V118 WeakPolarHBondContact CD1-O 3.26Å; Y88-V118 PolarHBondContact N-O 3.42Å; Y88-N120 PolarHBondContact O-N 2.91Å; Y88-V130 HydrophobicContact CD2-CG2 4.44Å; Y88-V130 HydrophobicContact CE2-CB 3.98Å; Y88-V130 HydrophobicContact CE2-CG1 3.72Å; Y88-V130 HydrophobicContact CE2-CG2 4.16Å; Y88-A135 VanDerWaalsContact OH-CB 3.26Å; Y88-A135 WeakPolarHBondContact OH-CB 3.44Å; Y88-L146 HydrophobicContact CE1-CD1 4.17Å
89D97.8Very high96Very high11 Ų1139.8 Ų39.86%0.05922%0.217CC..EExtended strand (participates in β ladder)trans-102.7123.1176.7177.8-1.1000109.4V19 T91 S92 S95 K121V19-D89 HydrophobicContact CB-CB 4.23Å; V19-D89 HydrophobicContact CG1-CB 4.13Å; D89-T91 PolarHBondContact O-N 3.41Å; D89-T91 VanDerWaalsContact O-N 3.15Å; D89-T91 PolarHBondContact OD1-N 3.27Å; D89-T91 PolarHBondContact OD1-OG1 3.37Å; D89-T91 PolarHBondContact OD2-OG1 3.01Å; D89-S92 PolarHBondContact O-N 3.31Å; D89-S95 PolarHBondContact N-OG 2.81Å; D89-S95 PolarHBondContact O-OG 2.81Å; D89-K121 WeakPolarHBondContact OD1-CD 3.28Å; D89-K121 WeakPolarHBondContact OD2-CD 3.02Å; D89-K121 VanDerWaalsContact OD2-CE 3.23Å; D89-K121 WeakPolarHBondContact OD2-CE 3.05Å; D89-K121 IonicContact OD2-NZ 3.59Å; D89-K121 PolarHBondContact OD2-NZ 2.96Å
90V98.1Very high96.4Very high0 Ų035.9 Ų35.90%021%0.206CC..THydrogen-bonded Turntrans-64.5-18.3-179.3-56.10000113Y88 N120 N122 K128 V129 V130Y88-V90 HydrophobicContact CE2-CG1 3.99Å; V90-N120 WeakPolarHBondContact CG2-O 3.25Å; V90-N120 PolarHBondContact N-O 3.11Å; V90-N122 HydrophobicContact CG2-CB 4.26Å; V90-K128 HydrophobicContact CB-CG 4.24Å; V90-K128 HydrophobicContact CG2-CG 4.33Å; V90-V129 PolarHBondContact O-N 2.78Å; V90-V130 PolarHBondContact O-N 2.71Å; V90-V130 VanDerWaalsContact O-N 3.09Å
91T97.3Very high96.6Very high50 Ų5039.7 Ų39.731%0.30720%0.204SC..THydrogen-bonded Turntrans-934.9175.480.50000112.7D89 S127 V129D89-T91 PolarHBondContact O-N 3.41Å; D89-T91 VanDerWaalsContact O-N 3.15Å; D89-T91 PolarHBondContact OD1-N 3.27Å; D89-T91 PolarHBondContact OD1-OG1 3.37Å; D89-T91 PolarHBondContact OD2-OG1 3.01Å; T91-S127 WeakPolarHBondContact CA-O 3.41Å; T91-S127 VanDerWaalsContact CB-O 3.23Å; T91-S127 WeakPolarHBondContact CB-O 3.39Å; T91-S127 WeakPolarHBondContact CG2-O 3.36Å; T91-V129 VanDerWaalsContact C-CG2 3.47Å
92S97.1Very high96.5Very high36 Ų3639.1 Ų39.125%0.25220%0.2SC..  trans-132.7103178.5176.60000112D89 E94 S95 F96D89-S92 PolarHBondContact O-N 3.31Å; S92-E94 PolarHBondContact O-N 3.45Å; S92-S95 PolarHBondContact O-N 2.88Å; S92-S95 PolarHBondContact O-OG 2.92Å; S92-S95 PolarHBondContact OG-N 3.14Å; S92-F96 PolarHBondContact O-N 2.97Å
93A96.7Very high96.4Very high53 Ų5336.3 Ų36.344%0.43819%0.187SC..Hα-helixtrans-59-35.7175.700000112.6S95 F96 V97 V129A93-S95 PolarHBondContact O-N 2.89Å; A93-F96 PolarHBondContact O-N 2.95Å; A93-V97 WeakPolarHBondContact O-CG2 3.34Å; A93-V97 PolarHBondContact O-N 2.89Å; A93-V129 HydrophobicContact CB-CG2 4.13Å
94E96.7Very high96.2Very high141 Ų14141.3 Ų41.366%0.65921%0.21SC*.Hα-helixtrans-60.6-45.1177-175.6179.5-178.300111.5S92 F96 V97 N98S92-E94 PolarHBondContact O-N 3.45Å; E94-F96 PolarHBondContact O-N 2.54Å; E94-V97 PolarHBondContact O-N 2.79Å; E94-N98 PolarHBondContact O-N 3.38Å; E94-N98 PolarHBondContact O-ND2 3.12Å
95S96.9Very high95.8Very high6 Ų642.4 Ų42.44%0.04222%0.215CC..Hα-helixtrans-61.2-34.1178.9780000112.3D89 S92 A93D89-S95 PolarHBondContact N-OG 2.81Å; D89-S95 PolarHBondContact O-OG 2.81Å; S92-S95 PolarHBondContact O-N 2.88Å; S92-S95 PolarHBondContact O-OG 2.92Å; S92-S95 PolarHBondContact OG-N 3.14Å; A93-S95 PolarHBondContact O-N 2.89Å
96F97.9Very high95.5Very high40 Ų4042.4 Ų42.418%0.17522%0.215CC..Hα-helixtrans-72.7-42.4176.2-178.4-110.3000112.1Y88 S92 A93 E94 N98 V99 L117 V130 A135 F138Y88-F96 AromaticContact CD1-CD2 3.98Å; Y88-F96 HydrophobicContact CD1-CD2 3.98Å; Y88-F96 HydrophobicContact CD2-CB 3.82Å; Y88-F96 AromaticContact CD2-CD2 3.79Å; Y88-F96 HydrophobicContact CD2-CD2 3.79Å; Y88-F96 HydrophobicContact CD2-CG 4.24Å; Y88-F96 AromaticContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CD2 3.92Å; Y88-F96 HydrophobicContact CE1-CE2 4.25Å; Y88-F96 HydrophobicContact CE2-CB 4.32Å; Y88-F96 AromaticContact CE2-CD2 3.75Å; Y88-F96 HydrophobicContact CE2-CD2 3.75Å; Y88-F96 HydrophobicContact CE2-CG 4.35Å; Y88-F96 HydrophobicContact CG-CB 4.28Å; Y88-F96 AromaticContact CG-CD2 3.91Å; Y88-F96 HydrophobicContact CG-CD2 3.91Å; Y88-F96 AromaticContact CZ-CD2 3.82Å; S92-F96 PolarHBondContact O-N 2.97Å; A93-F96 PolarHBondContact O-N 2.95Å; E94-F96 PolarHBondContact O-N 2.54Å; F96-N98 PolarHBondContact O-N 3.26Å; F96-V99 HydrophobicContact CD2-CG2 4.31Å; F96-V99 WeakPolarHBondContact O-CB 3.27Å; F96-V99 VanDerWaalsContact O-CG2 3.26Å; F96-V99 WeakPolarHBondContact O-CG2 3.24Å; F96-V99 PolarHBondContact O-N 3.31Å; F96-L117 HydrophobicContact CE2-CD2 4.36Å; F96-V130 HydrophobicContact CB-CG1 4.23Å; F96-V130 HydrophobicContact CB-CG2 3.79Å; F96-V130 HydrophobicContact CD1-CG1 3.94Å; F96-V130 HydrophobicContact CD2-CG1 3.94Å; F96-V130 HydrophobicContact CE1-CG1 4.29Å; F96-V130 HydrophobicContact CE2-CG1 4.28Å; F96-V130 HydrophobicContact CG-CG1 3.76Å; F96-V130 HydrophobicContact CG-CG2 4.23Å; F96-V130 HydrophobicContact CZ-CG1 4.45Å; F96-A135 HydrophobicContact CE2-CB 3.97Å; F96-A135 HydrophobicContact CZ-CB 4.21Å; F96-F138 HydrophobicContact CE2-CD1 4.21Å; F96-F138 HydrophobicContact CZ-CB 3.89Å; F96-F138 HydrophobicContact CZ-CD1 4.14Å; F96-F138 HydrophobicContact CZ-CG 4.04Å
97V96.6Very high95.1Very high101 Ų10146.8 Ų46.861%0.61224%0.239SC*.Hα-helixtrans-58.1-38.9174.51710000111A93 E94 V99A93-V97 WeakPolarHBondContact O-CG2 3.34Å; A93-V97 PolarHBondContact O-N 2.89Å; E94-V97 PolarHBondContact O-N 2.79Å; V97-V99 PolarHBondContact O-N 2.83Å
98N95.4Very high94.7Very high42 Ų4253 Ų5323%0.22527%0.268CS..THydrogen-bonded Turntrans-69.9-12.8179.4-72.2-26.3000114.1D16 E94 F96 K100 R101 W102D16-N98 WeakPolarHBondContact OD2-CB 3.46Å; D16-N98 PolarHBondContact OD2-ND2 2.75Å; E94-N98 PolarHBondContact O-N 3.38Å; E94-N98 PolarHBondContact O-ND2 3.12Å; F96-N98 PolarHBondContact O-N 3.26Å; N98-K100 VanDerWaalsContact C-N 3.25Å; N98-K100 PolarHBondContact O-N 2.79Å; N98-R101 VanDerWaalsContact O-CB 3.31Å; N98-R101 WeakPolarHBondContact O-CB 3.39Å; N98-R101 PolarHBondContact O-N 3.46Å; N98-W102 PolarHBondContact O-N 2.86Å
99V95.8Very high94.2Very high0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-55.3-39.9175.8172.50000111.9V86 Y88 F96 V97 R101 W102 L103 L117 F138V86-V99 HydrophobicContact CG1-CG1 4Å; V86-V99 HydrophobicContact CG1-CG2 4.46Å; Y88-V99 HydrophobicContact CD1-CG2 4.22Å; Y88-V99 HydrophobicContact CG-CG2 4.29Å; F96-V99 HydrophobicContact CD2-CG2 4.31Å; F96-V99 WeakPolarHBondContact O-CB 3.27Å; F96-V99 VanDerWaalsContact O-CG2 3.26Å; F96-V99 WeakPolarHBondContact O-CG2 3.24Å; F96-V99 PolarHBondContact O-N 3.31Å; V97-V99 PolarHBondContact O-N 2.83Å; V99-R101 PolarHBondContact O-N 2.77Å; V99-W102 PolarHBondContact O-N 2.81Å; V99-W102 VanDerWaalsContact O-N 3.07Å; V99-L103 HydrophobicContact CG1-CD1 4.08Å; V99-L103 HydrophobicContact CG1-CG 4.2Å; V99-L103 WeakPolarHBondContact O-CG 3.27Å; V99-L103 PolarHBondContact O-N 2.72Å; V99-L117 HydrophobicContact CB-CD1 4.46Å; V99-L117 HydrophobicContact CG1-CD1 3.6Å; V99-L117 HydrophobicContact CG2-CD1 3.96Å; V99-F138 HydrophobicContact CB-CE1 4.35Å; V99-F138 HydrophobicContact CG1-CE1 3.54Å; V99-F138 HydrophobicContact CG1-CZ 4Å
100K93.9Very high93.6Very high137 Ų13756 Ų5660%0.59629%0.285SS*.Hα-helixtrans-57.2-38.8177.7-74.7-178.6178.5176.30112.2N98 H104 F138N98-K100 VanDerWaalsContact C-N 3.25Å; N98-K100 PolarHBondContact O-N 2.79Å; K100-H104 WeakPolarHBondContact O-CB 3.31Å; K100-H104 PolarHBondContact O-N 2.77Å; K100-F138 HydrophobicContact CD-CE2 4.28Å; K100-F138 HydrophobicContact CG-CE2 3.67Å; K100-F138 HydrophobicContact CG-CZ 3.8Å
101R92.6Very high92.8Very high134 Ų13463.7 Ų63.751%0.50633%0.326SS..Hα-helixtrans-66.6-43.4176.9-179.2-177176.81682.8111.1R71 N98 V99 H104 E105R71-R101 VanDerWaalsContact NH1-NH2 3.13Å; N98-R101 VanDerWaalsContact O-CB 3.31Å; N98-R101 WeakPolarHBondContact O-CB 3.39Å; N98-R101 PolarHBondContact O-N 3.46Å; V99-R101 PolarHBondContact O-N 2.77Å; R101-H104 WeakPolarHBondContact O-CB 3.17Å; R101-H104 PolarHBondContact O-N 2.92Å; R101-E105 PolarHBondContact O-N 2.77Å
102W93Very high92.1Very high1 Ų168.7 Ų68.70%0.00435%0.351CS..Hα-helixtrans-63.8-40.6177.2-67.4115.9000112.5I14 G15 D16 R71 V86 N98 V99 H104 E105 I106I14-W102 HydrophobicContact CB-CE3 4.23Å; I14-W102 HydrophobicContact CD1-CB 3.92Å; I14-W102 HydrophobicContact CD1-CD2 4.47Å; I14-W102 HydrophobicContact CD1-CE3 4.04Å; I14-W102 HydrophobicContact CD1-CG 4.49Å; I14-W102 HydrophobicContact CG1-CB 4.47Å; I14-W102 HydrophobicContact CG1-CE3 4.44Å; G15-W102 VanDerWaalsContact C-CZ2 3.43Å; G15-W102 WeakPolarHBondContact O-CZ2 3.48Å; D16-W102 PolarHBondContact OD1-NE1 3.44Å; R71-W102 HydrophobicContact CG-CH2 4.45Å; V86-W102 HydrophobicContact CG1-CB 3.94Å; N98-W102 PolarHBondContact O-N 2.86Å; V99-W102 PolarHBondContact O-N 2.81Å; V99-W102 VanDerWaalsContact O-N 3.07Å; W102-H104 VanDerWaalsContact C-N 3.32Å; W102-H104 PolarHBondContact O-N 2.98Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.41Å; W102-E105 PolarHBondContact O-N 3.11Å; W102-I106 WeakPolarHBondContact O-CG1 3.16Å; W102-I106 PolarHBondContact O-N 3.5Å
103L93.2Very high91.9Very high9 Ų967.5 Ų67.55%0.04734%0.342CS..Hα-helixtrans-63.2-38.9173.2-67.8177.1000112.2V86 V99 I106 N107 F138 M142 I144V86-L103 HydrophobicContact CG2-CD2 4.05Å; V99-L103 HydrophobicContact CG1-CD1 4.08Å; V99-L103 HydrophobicContact CG1-CG 4.2Å; V99-L103 WeakPolarHBondContact O-CG 3.27Å; V99-L103 PolarHBondContact O-N 2.72Å; L103-I106 HydrophobicContact CD2-CD1 4.15Å; L103-I106 PolarHBondContact O-N 2.91Å; L103-N107 PolarHBondContact O-N 3.48Å; L103-N107 PolarHBondContact O-ND2 3.39Å; L103-F138 HydrophobicContact CD1-CE1 3.98Å; L103-F138 HydrophobicContact CD1-CZ 3.78Å; L103-M142 HydrophobicContact CD1-CB 4.28Å; L103-M142 HydrophobicContact CD1-CG 3.8Å; L103-M142 HydrophobicContact CD1-SD 4.12Å; L103-I144 HydrophobicContact CD1-CD1 4.27Å; L103-I144 HydrophobicContact CD2-CD1 4.1Å
104H91.8Very high91.9Very high105 Ų10566.3 Ų66.349%0.48633%0.33SS..Hα-helixtrans-63.5-42.7174.3-172.470.9000111.9K100 R101 W102 I106 N107 Q108K100-H104 WeakPolarHBondContact O-CB 3.31Å; K100-H104 PolarHBondContact O-N 2.77Å; R101-H104 WeakPolarHBondContact O-CB 3.17Å; R101-H104 PolarHBondContact O-N 2.92Å; W102-H104 VanDerWaalsContact C-N 3.32Å; W102-H104 PolarHBondContact O-N 2.98Å; H104-I106 VanDerWaalsContact C-N 3.32Å; H104-I106 PolarHBondContact O-N 3.43Å; H104-N107 WeakPolarHBondContact O-CB 3.3Å; H104-N107 PolarHBondContact O-N 2.88Å; H104-N107 VanDerWaalsContact O-N 3.16Å; H104-Q108 PolarHBondContact CD2-NE2 3.31Å; H104-Q108 PolarHBondContact NE2-NE2 2.77Å; H104-Q108 WeakPolarHBondContact O-CG 3.42Å; H104-Q108 PolarHBondContact O-N 3.36Å; H104-Q108 VanDerWaalsContact O-N 3.08Å
105E88.8Confident91.9Very high24 Ų2462 Ų6211%0.11231%0.308CS..Hα-helixtrans-61.2-40.1175.9-168.2173.4159.600111.7R71 Y78 R101 W102 Q108 N109R71-E105 IonicContact NE-OE2 3.93Å; Y78-E105 HydrophobicContact CE2-CG 4.07Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.46Å; Y78-E105 WeakPolarHBondContact OH-CG 3.29Å; Y78-E105 PolarHBondContact OH-OE1 3.41Å; R101-E105 PolarHBondContact O-N 2.77Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.41Å; W102-E105 PolarHBondContact O-N 3.11Å; E105-Q108 PolarHBondContact O-N 2.82Å; E105-N109 PolarHBondContact O-N 3.07Å; E105-N109 PolarHBondContact O-ND2 3.25Å
106I91.4Very high91.9Very high0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-60.2-47.5173-64.2159.7000110.8I14 Y78 V84 V86 W102 L103 H104 Q108 N109 C110 V113 R115I14-I106 HydrophobicContact CD1-CD1 3.67Å; I14-I106 HydrophobicContact CD1-CG1 3.69Å; Y78-I106 HydrophobicContact CE1-CG1 3.91Å; V84-I106 HydrophobicContact CB-CD1 4.05Å; V84-I106 HydrophobicContact CB-CG1 4.41Å; V84-I106 HydrophobicContact CG1-CD1 3.64Å; V84-I106 HydrophobicContact CG1-CG1 3.98Å; V84-I106 HydrophobicContact CG2-CG1 4.35Å; V84-I106 HydrophobicContact CG2-CG2 4.36Å; V86-I106 HydrophobicContact CG2-CD1 3.56Å; W102-I106 WeakPolarHBondContact O-CG1 3.16Å; W102-I106 PolarHBondContact O-N 3.5Å; L103-I106 HydrophobicContact CD2-CD1 4.15Å; L103-I106 PolarHBondContact O-N 2.91Å; H104-I106 VanDerWaalsContact C-N 3.32Å; H104-I106 PolarHBondContact O-N 3.43Å; I106-Q108 PolarHBondContact O-N 3Å; I106-N109 PolarHBondContact O-N 3.24Å; I106-C110 HydrophobicContact CG2-CB 4.22Å; I106-C110 WeakPolarHBondContact O-CB 3.25Å; I106-C110 PolarHBondContact O-N 2.91Å; I106-V113 HydrophobicContact CG2-CG1 3.42Å; I106-V113 VanDerWaalsContact CG2-CG1 3.42Å; I106-R115 HydrophobicContact CG2-CG 4.46Å
107N90.8Very high92Very high92 Ų9259.9 Ų59.949%0.49230%0.297SS..Hα-helixtrans-61.7-29-179.9-72.6-30.6000113.4L103 H104 R115L103-N107 PolarHBondContact O-N 3.48Å; L103-N107 PolarHBondContact O-ND2 3.39Å; H104-N107 WeakPolarHBondContact O-CB 3.3Å; H104-N107 PolarHBondContact O-N 2.88Å; H104-N107 VanDerWaalsContact O-N 3.16Å; N107-R115 PolarHBondContact OD1-NH1 2.97Å; N107-R115 PolarHBondContact OD1-NH2 3.48Å
108Q89.3Confident92.1Very high130 Ų13055 Ų5561%0.60727%0.268SS*.Hα-helixtrans-80.2-26.2178.9-71.6-175.9-1100113.5H104 E105 I106H104-Q108 PolarHBondContact CD2-NE2 3.31Å; H104-Q108 PolarHBondContact NE2-NE2 2.77Å; H104-Q108 WeakPolarHBondContact O-CG 3.42Å; H104-Q108 PolarHBondContact O-N 3.36Å; H104-Q108 VanDerWaalsContact O-N 3.08Å; E105-Q108 PolarHBondContact O-N 2.82Å; I106-Q108 PolarHBondContact O-N 3Å
109N87.1Confident92.2Very high64 Ų6453 Ų5334%0.34226%0.258SS..Hα-helixtrans-116.9-14.2-168.3-65.9-83.5000114.3Y78 E105 I106Y78-N109 HydrophobicContact CD1-CB 4.07Å; Y78-N109 HydrophobicContact CD2-CB 4.06Å; Y78-N109 HydrophobicContact CG-CB 3.64Å; E105-N109 PolarHBondContact O-N 3.07Å; E105-N109 PolarHBondContact O-ND2 3.25Å; I106-N109 PolarHBondContact O-N 3.24Å
110C85.9Confident92.3Very high12 Ų1253.2 Ų53.28%0.08126%0.259CS..  trans-127.1127.6-179.6-69.10000111.9Y78 I106 V113Y78-C110 PolarHBondContact O-SG 3.25Å; I106-C110 HydrophobicContact CG2-CB 4.22Å; I106-C110 WeakPolarHBondContact O-CB 3.25Å; I106-C110 PolarHBondContact O-N 2.91Å; C110-V113 HydrophobicContact CB-CB 3.93Å; C110-V113 HydrophobicContact CB-CG1 3.62Å
111D80Confident92.5Very high160 Ų16050 Ų5086%0.85624%0.244SC*.SBendtrans-86.4130.1164-61.2-41.4000109.5
112D83.4Confident92.6Very high155 Ų15545.6 Ų45.683%0.82923%0.231SC*.SBendtrans46.667.3171.1-162.824.2000114.9
113V93.8Very high92.7Very high12 Ų1247.9 Ų47.97%0.07324%0.243CC..  trans-115.6135.7-178.373.20000111.4T81 H82 V84 I106 C110 R115T81-V113 HydrophobicContact CG2-CG2 4.2Å; H82-V113 VanDerWaalsContact C-CG2 3.5Å; H82-V113 WeakPolarHBondContact O-CG2 3.48Å; V84-V113 HydrophobicContact CG2-CG1 4.22Å; V84-V113 HydrophobicContact CG2-CG2 3.84Å; I106-V113 HydrophobicContact CG2-CG1 3.42Å; I106-V113 VanDerWaalsContact CG2-CG1 3.42Å; C110-V113 HydrophobicContact CB-CB 3.93Å; C110-V113 HydrophobicContact CB-CG1 3.62Å; V113-R115 HydrophobicContact CG1-CG 4.15Å; V113-R115 PolarHBondContact O-NE 3.02Å
114C96.1Very high92.6Very high27 Ų2750.2 Ų50.218%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-68.5143.4174.2-60.90000110.4H82 G83 V84 I164 L167 V168H82-C114 PolarHBondContact O-N 3.49Å; G83-C114 CarbonylContact C-O 3.54Å; G83-C114 VanDerWaalsContact CA-O 3.27Å; G83-C114 WeakPolarHBondContact CA-O 3.49Å; V84-C114 PolarHBondContact N-O 3.37Å; C114-I164 HydrophobicContact CB-CD1 3.74Å; C114-L167 HydrophobicContact CB-CB 4.27Å; C114-V168 HydrophobicContact CB-CG2 3.76Å
115R96Very high92.4Very high52 Ų5250.3 Ų50.320%0.19627%0.266CS..EExtended strand (participates in β ladder)trans-139.5141.7-174-58.7165.8-157.1-172.5-4110.5V84 I106 N107 V113 I144V84-R115 WeakPolarHBondContact O-CA 3.38Å; I106-R115 HydrophobicContact CG2-CG 4.46Å; N107-R115 PolarHBondContact OD1-NH1 2.97Å; N107-R115 PolarHBondContact OD1-NH2 3.48Å; V113-R115 HydrophobicContact CG1-CG 4.15Å; V113-R115 PolarHBondContact O-NE 3.02Å; R115-I144 HydrophobicContact CB-CG2 3.83Å
116I98Very high92.6Very high0 Ų054.2 Ų54.20%030%0.296CS..EExtended strand (participates in β ladder)trans-133.2149.2167.955.8162.2000110V84 I85 V86 V118 M160 I164 L167V84-I116 PolarHBondContact O-N 2.95Å; V84-I116 VanDerWaalsContact O-N 3.11Å; I85-I116 HydrophobicContact CB-CG1 4.33Å; I85-I116 HydrophobicContact CG1-CD1 4.06Å; I85-I116 HydrophobicContact CG1-CG1 4.05Å; I85-I116 HydrophobicContact CG2-CD1 4.11Å; I85-I116 HydrophobicContact CG2-CG1 4.18Å; V86-I116 PolarHBondContact N-O 3.48Å; I116-V118 HydrophobicContact CD1-CG2 4.05Å; I116-V118 HydrophobicContact CG1-CG2 4.44Å; I116-M160 HydrophobicContact CD1-CG 3.54Å; I116-M160 HydrophobicContact CD1-SD 3.39Å; I116-M160 WeakPolarHBondContact CD1-SD 3.42Å; I116-I164 HydrophobicContact CD1-CB 3.8Å; I116-I164 HydrophobicContact CD1-CG2 4.13Å; I116-I164 HydrophobicContact CG1-CB 4.1Å; I116-I164 HydrophobicContact CG1-CD1 4.29Å; I116-I164 HydrophobicContact CG1-CG1 4.34Å; I116-I164 HydrophobicContact CG2-CB 4.36Å; I116-I164 HydrophobicContact CG2-CD1 4.12Å; I116-L167 HydrophobicContact CG2-CD1 3.89Å
117L98.5Very high92.7Very high0 Ų056.9 Ų56.90%031%0.314CS..EExtended strand (participates in β ladder)trans-101.2133.7174-177.760.1000109.3V86 Y88 F96 V99 F138 A139 I144 S145 L146 F147V86-L117 HydrophobicContact CB-CD1 4.29Å; V86-L117 HydrophobicContact CG1-CD1 4.23Å; Y88-L117 HydrophobicContact CD1-CD1 3.72Å; Y88-L117 HydrophobicContact CD1-CG 4.16Å; Y88-L117 HydrophobicContact CE1-CD1 4.01Å; Y88-L117 HydrophobicContact CE1-CD2 4.26Å; Y88-L117 HydrophobicContact CE1-CG 3.91Å; F96-L117 HydrophobicContact CE2-CD2 4.36Å; V99-L117 HydrophobicContact CB-CD1 4.46Å; V99-L117 HydrophobicContact CG1-CD1 3.6Å; V99-L117 HydrophobicContact CG2-CD1 3.96Å; L117-F138 HydrophobicContact CD2-CD1 3.78Å; L117-F138 HydrophobicContact CD2-CE1 4.12Å; L117-A139 HydrophobicContact CD2-CB 4.28Å; L117-I144 HydrophobicContact CB-CD1 3.81Å; L117-I144 HydrophobicContact CB-CG1 4.28Å; L117-S145 PolarHBondContact N-O 2.97Å; L117-L146 HydrophobicContact CB-CD1 4.27Å; L117-L146 HydrophobicContact CD2-CD1 4.04Å; L117-L146 HydrophobicContact CG-CD1 3.91Å; L117-L146 CarbonylContact O-C 3.41Å; L117-L146 WeakPolarHBondContact O-CA 3.17Å; L117-F147 PolarHBondContact O-N 3.08Å
118V98.7Very high93Very high0 Ų054.3 Ų54.30%030%0.299CS..EExtended strand (participates in β ladder)trans-128.5115.4-176.7-177.40000110.4L24 I85 V86 V87 Y88 I116 F147 T149 M160L24-V118 HydrophobicContact CD1-CG1 4.12Å; I85-V118 HydrophobicContact CG2-CB 4.34Å; I85-V118 HydrophobicContact CG2-CG2 3.49Å; I85-V118 VanDerWaalsContact CG2-CG2 3.49Å; V86-V118 PolarHBondContact O-N 3.15Å; V87-V118 CarbonylContact C-O 3.42Å; V87-V118 WeakPolarHBondContact CA-O 3.31Å; V87-V118 HydrophobicContact CG2-CB 4.32Å; Y88-V118 VanDerWaalsContact CD1-O 3.25Å; Y88-V118 WeakPolarHBondContact CD1-O 3.26Å; Y88-V118 PolarHBondContact N-O 3.42Å; I116-V118 HydrophobicContact CD1-CG2 4.05Å; I116-V118 HydrophobicContact CG1-CG2 4.44Å; V118-F147 CarbonylContact C-O 3.57Å; V118-F147 VanDerWaalsContact CA-O 3.26Å; V118-F147 WeakPolarHBondContact CA-O 3.33Å; V118-T149 HydrophobicContact CG1-CG2 3.78Å; V118-T149 VanDerWaalsContact CG1-OG1 3.26Å; V118-T149 WeakPolarHBondContact CG1-OG1 3.45Å; V118-M160 HydrophobicContact CG2-CE 4.45Å; V118-M160 HydrophobicContact CG2-CG 3.65Å; V118-M160 HydrophobicContact CG2-SD 3.94Å
119G98.4Very high93.3Very high0 Ų052 Ų520%029%0.293CS..EExtended strand (participates in β ladder)trans-88.2103.4166.600000109.7F147 E148 T149G119-F147 PolarHBondContact N-O 2.66Å; G119-E148 CarbonylContact O-C 3.57Å; G119-E148 VanDerWaalsContact O-CA 3.27Å; G119-E148 WeakPolarHBondContact O-CA 3.47Å; G119-T149 PolarHBondContact O-N 3.04Å
120N98.1Very high93.8Very high4 Ų449.3 Ų49.32%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-90.9169.2-179.8-170.931.7000111.6V19 L24 V87 Y88 V90 N122 T149 A151V19-N120 PolarHBondContact O-ND2 3.49Å; L24-N120 HydrophobicContact CD1-CB 4.21Å; V87-N120 HydrophobicContact CG1-CB 3.85Å; Y88-N120 PolarHBondContact O-N 2.91Å; V90-N120 WeakPolarHBondContact CG2-O 3.25Å; V90-N120 PolarHBondContact N-O 3.11Å; N120-N122 VanDerWaalsContact C-N 3.35Å; N120-T149 CarbonylContact C-O 3.51Å; N120-T149 WeakPolarHBondContact CA-O 3.39Å; N120-T149 PolarHBondContact OD1-O 2.86Å; N120-T149 PolarHBondContact OD1-OG1 3.49Å; N120-A151 PolarHBondContact OD1-N 3.39Å
121K96.9Very high94.3Very high68 Ų6853.8 Ų53.830%0.29630%0.299SS..  trans67.229.4-177.5-45.9-169-163.8165.30114.4G18 D89 D123 T149G18-K121 VanDerWaalsContact O-CE 3.24Å; G18-K121 WeakPolarHBondContact O-CE 3.34Å; G18-K121 PolarHBondContact O-NZ 3.42Å; D89-K121 WeakPolarHBondContact OD1-CD 3.28Å; D89-K121 WeakPolarHBondContact OD2-CD 3.02Å; D89-K121 VanDerWaalsContact OD2-CE 3.23Å; D89-K121 WeakPolarHBondContact OD2-CE 3.05Å; D89-K121 IonicContact OD2-NZ 3.59Å; D89-K121 PolarHBondContact OD2-NZ 2.96Å; K121-D123 WeakPolarHBondContact CA-OD1 3.39Å; K121-D123 PolarHBondContact O-N 2.78Å; K121-T149 PolarHBondContact N-O 3.3Å
122N96.1Very high95.1Very high42 Ų4248.9 Ų48.923%0.22528%0.275CS..THydrogen-bonded Turntrans-78.341.9175.2-161.551.9000112.1V90 N120 K128 E148 T149V90-N122 HydrophobicContact CG2-CB 4.26Å; N120-N122 VanDerWaalsContact C-N 3.35Å; N122-K128 PolarHBondContact OD1-NZ 3.39Å; N122-K128 VanDerWaalsContact OD1-NZ 3.17Å; N122-E148 HydrophobicContact CB-CB 4.24Å; N122-T149 WeakPolarHBondContact CB-O 3.18Å; N122-T149 PolarHBondContact N-O 3.23Å
123D94.3Very high95.8Very high50 Ų5045.6 Ų45.627%0.26726%0.261SS..THydrogen-bonded Turntrans-101.1-15.6175.248.8-84.2000113.9K121 S150 K152 E153K121-D123 WeakPolarHBondContact CA-OD1 3.39Å; K121-D123 PolarHBondContact O-N 2.78Å; D123-S150 WeakPolarHBondContact CB-OG 3.34Å; D123-S150 PolarHBondContact OD1-OG 3.35Å; D123-K152 HydrophobicContact CB-CD 4.5Å; D123-K152 VanDerWaalsContact OD2-CD 3.22Å; D123-K152 WeakPolarHBondContact OD2-CD 3.41Å; D123-K152 IonicContact OD2-NZ 3.63Å; D123-K152 PolarHBondContact OD2-NZ 2.9Å; D123-E153 HydrophobicContact CB-CG 3.6Å
124D91.4Very high95.9Very high57 Ų5748.9 Ų48.931%0.30528%0.278SS..  trans-124.5100.2174.5-179.710.8000111.1S126 S127D124-S126 VanDerWaalsContact CG-OG 3.29Å; D124-S126 PolarHBondContact O-N 3.21Å; D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.29Å; D124-S126 PolarHBondContact OD1-OG 3.22Å; D124-S126 PolarHBondContact OD2-OG 2.99Å; D124-S127 PolarHBondContact O-N 3.3Å; D124-S127 VanDerWaalsContact OD2-CB 3.32Å; D124-S127 WeakPolarHBondContact OD2-CB 3.25Å; D124-S127 PolarHBondContact OD2-OG 2.7Å
125P87.5Confident95.9Very high107 Ų10747.6 Ų47.670%0.69527%0.269SS*.G310 helixtrans-59.9-26.8176.6-24.534.7000113.9K128P125-K128 WeakPolarHBondContact O-CB 3.39Å; P125-K128 PolarHBondContact O-N 3.1Å
126S92.8Very high96Very high107 Ų10748.7 Ų48.775%0.74828%0.276SS*.G310 helixtrans-75.5-27-176.672.40000113.1D124D124-S126 VanDerWaalsContact CG-OG 3.29Å; D124-S126 PolarHBondContact O-N 3.21Å; D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.29Å; D124-S126 PolarHBondContact OD1-OG 3.22Å; D124-S126 PolarHBondContact OD2-OG 2.99Å
127S93.1Very high96Very high55 Ų5554 Ų5439%0.38530%0.3SS..G310 helixtrans-90.7-2.7177.1-64.50000113T91 D124 V129T91-S127 WeakPolarHBondContact CA-O 3.41Å; T91-S127 VanDerWaalsContact CB-O 3.23Å; T91-S127 WeakPolarHBondContact CB-O 3.39Å; T91-S127 WeakPolarHBondContact CG2-O 3.36Å; D124-S127 PolarHBondContact O-N 3.3Å; D124-S127 VanDerWaalsContact OD2-CB 3.32Å; D124-S127 WeakPolarHBondContact OD2-CB 3.25Å; D124-S127 PolarHBondContact OD2-OG 2.7Å; S127-V129 PolarHBondContact O-N 3.26Å
128K96.6Very high95.9Very high38 Ų3854.9 Ų54.917%0.16530%0.303CS..  trans-71.2125.5-178.3-172.6170.9-173.31640110.4V90 N122 P125 V130 T132 E148V90-K128 HydrophobicContact CB-CG 4.24Å; V90-K128 HydrophobicContact CG2-CG 4.33Å; N122-K128 PolarHBondContact OD1-NZ 3.39Å; N122-K128 VanDerWaalsContact OD1-NZ 3.17Å; P125-K128 WeakPolarHBondContact O-CB 3.39Å; P125-K128 PolarHBondContact O-N 3.1Å; K128-V130 WeakPolarHBondContact CE-O 3.34Å; K128-T132 PolarHBondContact NZ-OG1 3.42Å; K128-E148 WeakPolarHBondContact CE-OE1 3.49Å; K128-E148 IonicContact NZ-OE1 3.3Å; K128-E148 PolarHBondContact NZ-OE1 2.96Å; K128-E148 IonicContact NZ-OE2 2.86Å; K128-E148 PolarHBondContact NZ-OE2 3.21Å
129V97.3Very high95.8Very high82 Ų8254.9 Ų54.950%0.49730%0.303SS..  trans-119.8-14.8178.9-56.30000112.8V90 T91 A93 S127V90-V129 PolarHBondContact O-N 2.78Å; T91-V129 VanDerWaalsContact C-CG2 3.47Å; A93-V129 HydrophobicContact CB-CG2 4.13Å; S127-V129 PolarHBondContact O-N 3.26Å
130V97Very high95.7Very high8 Ų860.8 Ų60.85%0.04833%0.331CS..SBendtrans-100.8107.1173.5-175.30000108.3Y88 V90 F96 K128 A135Y88-V130 HydrophobicContact CD2-CG2 4.44Å; Y88-V130 HydrophobicContact CE2-CB 3.98Å; Y88-V130 HydrophobicContact CE2-CG1 3.72Å; Y88-V130 HydrophobicContact CE2-CG2 4.16Å; V90-V130 PolarHBondContact O-N 2.71Å; V90-V130 VanDerWaalsContact O-N 3.09Å; F96-V130 HydrophobicContact CB-CG1 4.23Å; F96-V130 HydrophobicContact CB-CG2 3.79Å; F96-V130 HydrophobicContact CD1-CG1 3.94Å; F96-V130 HydrophobicContact CD2-CG1 3.94Å; F96-V130 HydrophobicContact CE1-CG1 4.29Å; F96-V130 HydrophobicContact CE2-CG1 4.28Å; F96-V130 HydrophobicContact CG-CG1 3.76Å; F96-V130 HydrophobicContact CG-CG2 4.23Å; F96-V130 HydrophobicContact CZ-CG1 4.45Å; K128-V130 WeakPolarHBondContact CE-O 3.34Å; V130-A135 HydrophobicContact CG1-CB 4.23Å
131E96.6Very high95.6Very high106 Ų10667.6 Ų67.650%0.49536%0.363SS..  trans-64.7136.4178.8-69.1-60.1143.900111.6T133 D134 A135E131-T133 PolarHBondContact O-N 2.92Å; E131-D134 HydrophobicContact CB-CB 4.44Å; E131-D134 PolarHBondContact O-N 3.21Å; E131-D134 VanDerWaalsContact O-N 3.11Å; E131-A135 PolarHBondContact O-N 2.96Å
132T96.6Very high95.5Very high57 Ų5768.6 Ų68.635%0.3537%0.369SS..Hα-helixtrans-57.3-36.9178.8-52.40000110.9K128 D134 Q136 E148K128-T132 PolarHBondContact NZ-OG1 3.42Å; T132-D134 VanDerWaalsContact C-N 3.35Å; T132-D134 PolarHBondContact O-N 2.75Å; T132-Q136 WeakPolarHBondContact O-CB 3.37Å; T132-Q136 PolarHBondContact O-N 2.85Å; T132-E148 VanDerWaalsContact OG1-CD 3.31Å; T132-E148 PolarHBondContact OG1-OE1 2.96Å; T132-E148 PolarHBondContact OG1-OE2 3.04Å
133T97.1Very high95.3Very high86 Ų8669.9 Ų69.953%0.52839%0.393SS..Hα-helixtrans-65.2-37-179.457.30000112.5E131 K137E131-T133 PolarHBondContact O-N 2.92Å; T133-K137 VanDerWaalsContact O-CG 3.24Å; T133-K137 WeakPolarHBondContact O-CG 3.5Å; T133-K137 PolarHBondContact O-N 2.98Å
134D96.4Very high95.4Very high81 Ų8168.6 Ų68.643%0.43339%0.386SS..Hα-helixtrans-79-39.3179.8-68.8-26.9000111.7E131 T132 Q136 K137 F138E131-D134 HydrophobicContact CB-CB 4.44Å; E131-D134 PolarHBondContact O-N 3.21Å; E131-D134 VanDerWaalsContact O-N 3.11Å; T132-D134 VanDerWaalsContact C-N 3.35Å; T132-D134 PolarHBondContact O-N 2.75Å; D134-Q136 VanDerWaalsContact C-N 3.3Å; D134-Q136 PolarHBondContact O-N 2.84Å; D134-K137 PolarHBondContact O-N 2.8Å; D134-K137 IonicContact OD1-NZ 2.96Å; D134-K137 PolarHBondContact OD1-NZ 3.17Å; D134-F138 WeakPolarHBondContact O-CB 3.34Å; D134-F138 PolarHBondContact O-N 2.94Å
135A97Very high95.6Very high0 Ų068.4 Ų68.40%039%0.389CS..Hα-helixtrans-60-41.8170.600000111.8Y88 F96 V130 E131 F138 A139 L146Y88-A135 VanDerWaalsContact OH-CB 3.26Å; Y88-A135 WeakPolarHBondContact OH-CB 3.44Å; F96-A135 HydrophobicContact CE2-CB 3.97Å; F96-A135 HydrophobicContact CZ-CB 4.21Å; V130-A135 HydrophobicContact CG1-CB 4.23Å; E131-A135 PolarHBondContact O-N 2.96Å; A135-F138 PolarHBondContact O-N 3.23Å; A135-A139 WeakPolarHBondContact O-CB 3.32Å; A135-A139 PolarHBondContact O-N 3.18Å; A135-L146 HydrophobicContact CB-CD1 4.3Å; A135-L146 HydrophobicContact CB-CD2 3.67Å
136Q97.8Very high96.1Very high74 Ų7464.4 Ų64.435%0.34636%0.362SS..Hα-helixtrans-65.5-47.6179-178.161.433.300111.6T132 D134 F138 A139 E140 L146T132-Q136 WeakPolarHBondContact O-CB 3.37Å; T132-Q136 PolarHBondContact O-N 2.85Å; D134-Q136 VanDerWaalsContact C-N 3.3Å; D134-Q136 PolarHBondContact O-N 2.84Å; Q136-F138 VanDerWaalsContact C-N 3.26Å; Q136-F138 PolarHBondContact O-N 3.33Å; Q136-A139 PolarHBondContact O-N 2.99Å; Q136-A139 VanDerWaalsContact O-N 3.15Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.2Å; Q136-E140 PolarHBondContact NE2-OE1 3.16Å; Q136-E140 WeakPolarHBondContact O-CG 3.26Å; Q136-E140 PolarHBondContact O-N 3.26Å; Q136-L146 HydrophobicContact CB-CD2 4.13Å
137K97.9Very high96.4Very high112 Ų11261.3 Ų61.349%0.48734%0.335SS..Hα-helixtrans-56.9-42.3174.5-74.4167.8-167.9161.10111.6T133 D134 Q141T133-K137 VanDerWaalsContact O-CG 3.24Å; T133-K137 WeakPolarHBondContact O-CG 3.5Å; T133-K137 PolarHBondContact O-N 2.98Å; D134-K137 PolarHBondContact O-N 2.8Å; D134-K137 IonicContact OD1-NZ 2.96Å; D134-K137 PolarHBondContact OD1-NZ 3.17Å; K137-Q141 VanDerWaalsContact O-CG 3.27Å; K137-Q141 WeakPolarHBondContact O-CG 3.48Å; K137-Q141 PolarHBondContact O-N 2.86Å
138F97.1Very high96.6Very high18 Ų1860 Ų608%0.07932%0.322CS..Hα-helixtrans-64.4-44.4177.1175.5-97.2000111.8F96 V99 K100 L103 L117 D134 A135 Q136 E140 Q141 M142F96-F138 HydrophobicContact CE2-CD1 4.21Å; F96-F138 HydrophobicContact CZ-CB 3.89Å; F96-F138 HydrophobicContact CZ-CD1 4.14Å; F96-F138 HydrophobicContact CZ-CG 4.04Å; V99-F138 HydrophobicContact CB-CE1 4.35Å; V99-F138 HydrophobicContact CG1-CE1 3.54Å; V99-F138 HydrophobicContact CG1-CZ 4Å; K100-F138 HydrophobicContact CD-CE2 4.28Å; K100-F138 HydrophobicContact CG-CE2 3.67Å; K100-F138 HydrophobicContact CG-CZ 3.8Å; L103-F138 HydrophobicContact CD1-CE1 3.98Å; L103-F138 HydrophobicContact CD1-CZ 3.78Å; L117-F138 HydrophobicContact CD2-CD1 3.78Å; L117-F138 HydrophobicContact CD2-CE1 4.12Å; D134-F138 WeakPolarHBondContact O-CB 3.34Å; D134-F138 PolarHBondContact O-N 2.94Å; A135-F138 PolarHBondContact O-N 3.23Å; Q136-F138 VanDerWaalsContact C-N 3.26Å; Q136-F138 PolarHBondContact O-N 3.33Å; F138-E140 VanDerWaalsContact C-N 3.34Å; F138-E140 PolarHBondContact O-N 3.41Å; F138-Q141 PolarHBondContact O-N 3.02Å; F138-M142 HydrophobicContact CD1-CG 4.43Å; F138-M142 HydrophobicContact CD2-CG 4.4Å; F138-M142 HydrophobicContact CE1-CG 3.93Å; F138-M142 HydrophobicContact CE2-CE 4.21Å; F138-M142 HydrophobicContact CE2-CG 3.89Å; F138-M142 HydrophobicContact CE2-SD 4.27Å; F138-M142 HydrophobicContact CZ-CG 3.65Å; F138-M142 HydrophobicContact CZ-SD 4.26Å; F138-M142 WeakPolarHBondContact O-CG 3.49Å; F138-M142 PolarHBondContact O-N 3.29Å; F138-M142 VanDerWaalsContact O-N 3.08Å
139A96.8Very high96.7Very high0 Ų058.1 Ų58.10%031%0.314CS..Hα-helixtrans-60.5-43.417800000111.7L117 A135 Q136 M142 G143 I144 L146L117-A139 HydrophobicContact CD2-CB 4.28Å; A135-A139 WeakPolarHBondContact O-CB 3.32Å; A135-A139 PolarHBondContact O-N 3.18Å; Q136-A139 PolarHBondContact O-N 2.99Å; Q136-A139 VanDerWaalsContact O-N 3.15Å; A139-M142 CarbonylContact O-C 3.58Å; A139-M142 PolarHBondContact O-N 3.27Å; A139-G143 PolarHBondContact O-N 3.07Å; A139-I144 CarbonylContact C-O 3.58Å; A139-I144 HydrophobicContact CB-CG1 4.2Å; A139-I144 WeakPolarHBondContact CB-O 3.37Å; A139-I144 PolarHBondContact O-N 3.3Å; A139-L146 HydrophobicContact CB-CB 3.9Å
140E96.4Very high96.7Very high125 Ų12554.2 Ų54.258%0.58429%0.291SS*.Hα-helixtrans-61.9-44.5175.2-73.6170.2-168.700112.5Q136 F138 M142 G143Q136-E140 WeakPolarHBondContact CG-OE1 3.2Å; Q136-E140 PolarHBondContact NE2-OE1 3.16Å; Q136-E140 WeakPolarHBondContact O-CG 3.26Å; Q136-E140 PolarHBondContact O-N 3.26Å; F138-E140 VanDerWaalsContact C-N 3.34Å; F138-E140 PolarHBondContact O-N 3.41Å; E140-M142 PolarHBondContact O-N 2.85Å; E140-G143 PolarHBondContact O-N 3.46Å
141Q95.8Very high96.7Very high147 Ų14754 Ų5469%0.68729%0.29SS*.Hα-helixtrans-60.4-33.4175.9-75.4174.8-2.200112.7K137 F138K137-Q141 VanDerWaalsContact O-CG 3.27Å; K137-Q141 WeakPolarHBondContact O-CG 3.48Å; K137-Q141 PolarHBondContact O-N 2.86Å; F138-Q141 PolarHBondContact O-N 3.02Å
142M93.2Very high96.7Very high88 Ų8853.4 Ų53.443%0.43329%0.285SS..Hα-helixtrans-88.5-5.5177.9-60.9-61.7113.400112.9L103 F138 A139 E140 I144L103-M142 HydrophobicContact CD1-CB 4.28Å; L103-M142 HydrophobicContact CD1-CG 3.8Å; L103-M142 HydrophobicContact CD1-SD 4.12Å; F138-M142 HydrophobicContact CD1-CG 4.43Å; F138-M142 HydrophobicContact CD2-CG 4.4Å; F138-M142 HydrophobicContact CE1-CG 3.93Å; F138-M142 HydrophobicContact CE2-CE 4.21Å; F138-M142 HydrophobicContact CE2-CG 3.89Å; F138-M142 HydrophobicContact CE2-SD 4.27Å; F138-M142 HydrophobicContact CZ-CG 3.65Å; F138-M142 HydrophobicContact CZ-SD 4.26Å; F138-M142 WeakPolarHBondContact O-CG 3.49Å; F138-M142 PolarHBondContact O-N 3.29Å; F138-M142 VanDerWaalsContact O-N 3.08Å; A139-M142 CarbonylContact O-C 3.58Å; A139-M142 PolarHBondContact O-N 3.27Å; E140-M142 PolarHBondContact O-N 2.85Å; M142-I144 HydrophobicContact CB-CD1 4.09Å; M142-I144 HydrophobicContact CB-CG1 4.07Å
143G93.8Very high96.7Very high70 Ų7055.8 Ų55.872%0.72229%0.293SS*.THydrogen-bonded Turntrans66.532.3-177.600000114.1A139 E140A139-G143 PolarHBondContact O-N 3.07Å; E140-G143 PolarHBondContact O-N 3.46Å
144I95.3Very high96.6Very high22 Ų2254.9 Ų54.911%0.11328%0.284CS..  trans-122.2153.4-179.364.2-175.3000111L103 R115 L117 A139 M142L103-I144 HydrophobicContact CD1-CD1 4.27Å; L103-I144 HydrophobicContact CD2-CD1 4.1Å; R115-I144 HydrophobicContact CB-CG2 3.83Å; L117-I144 HydrophobicContact CB-CD1 3.81Å; L117-I144 HydrophobicContact CB-CG1 4.28Å; A139-I144 CarbonylContact C-O 3.58Å; A139-I144 HydrophobicContact CB-CG1 4.2Å; A139-I144 WeakPolarHBondContact CB-O 3.37Å; A139-I144 PolarHBondContact O-N 3.3Å; M142-I144 HydrophobicContact CB-CD1 4.09Å; M142-I144 HydrophobicContact CB-CG1 4.07Å
145S95.9Very high96.7Very high53 Ų5354.4 Ų54.437%0.37128%0.281SS..EExtended strand (participates in β ladder)trans-78.6145.2175.2-53.90000111.4L117L117-S145 PolarHBondContact N-O 2.97Å
146L98.2Very high96.7Very high24 Ų2457.5 Ų57.513%0.12630%0.298CS..EExtended strand (participates in β ladder)trans-104.8137.2173.4175.366000110.6Y88 L117 A135 Q136 A139Y88-L146 HydrophobicContact CE1-CD1 4.17Å; L117-L146 HydrophobicContact CB-CD1 4.27Å; L117-L146 HydrophobicContact CD2-CD1 4.04Å; L117-L146 HydrophobicContact CG-CD1 3.91Å; L117-L146 CarbonylContact O-C 3.41Å; L117-L146 WeakPolarHBondContact O-CA 3.17Å; A135-L146 HydrophobicContact CB-CD1 4.3Å; A135-L146 HydrophobicContact CB-CD2 3.67Å; Q136-L146 HydrophobicContact CB-CD2 4.13Å; A139-L146 HydrophobicContact CB-CB 3.9Å
147F98.3Very high96.7Very high41 Ų4154 Ų5418%0.1828%0.282CS..EExtended strand (participates in β ladder)trans-126132.8165.7-75.3-95.3000110.1L117 V118 G119 T149 E159 M160 C163L117-F147 PolarHBondContact O-N 3.08Å; V118-F147 CarbonylContact C-O 3.57Å; V118-F147 VanDerWaalsContact CA-O 3.26Å; V118-F147 WeakPolarHBondContact CA-O 3.33Å; G119-F147 PolarHBondContact N-O 2.66Å; F147-T149 HydrophobicContact CB-CG2 4.18Å; F147-E159 HydrophobicContact CE1-CB 4.46Å; F147-M160 HydrophobicContact CB-CB 4.17Å; F147-M160 HydrophobicContact CB-CG 4Å; F147-M160 HydrophobicContact CD1-CB 3.96Å; F147-M160 HydrophobicContact CD2-CB 4.42Å; F147-M160 HydrophobicContact CD2-CG 4.19Å; F147-M160 HydrophobicContact CG-CB 3.92Å; F147-M160 HydrophobicContact CG-CG 3.98Å; F147-C163 HydrophobicContact CE1-CB 4.42Å; F147-C163 HydrophobicContact CE2-CB 3.79Å; F147-C163 HydrophobicContact CZ-CB 3.45Å; F147-C163 VanDerWaalsContact CZ-CB 3.45Å
148E98.1Very high96.7Very high27 Ų2752.6 Ų52.613%0.12628%0.277CS..EExtended strand (participates in β ladder)trans-98.9126.1164.8-63-167.6133.800109G119 N122 K128 T132 N156G119-E148 CarbonylContact O-C 3.57Å; G119-E148 VanDerWaalsContact O-CA 3.27Å; G119-E148 WeakPolarHBondContact O-CA 3.47Å; N122-E148 HydrophobicContact CB-CB 4.24Å; K128-E148 WeakPolarHBondContact CE-OE1 3.49Å; K128-E148 IonicContact NZ-OE1 3.3Å; K128-E148 PolarHBondContact NZ-OE1 2.96Å; K128-E148 IonicContact NZ-OE2 2.86Å; K128-E148 PolarHBondContact NZ-OE2 3.21Å; T132-E148 VanDerWaalsContact OG1-CD 3.31Å; T132-E148 PolarHBondContact OG1-OE1 2.96Å; T132-E148 PolarHBondContact OG1-OE2 3.04Å; E148-N156 WeakPolarHBondContact O-CB 3.26Å; E148-N156 PolarHBondContact O-ND2 2.93Å
149T98.4Very high96.7Very high0 Ų056.4 Ų56.40%030%0.295CS..  trans-130.1157.6-169.6600000111.2V118 G119 N120 K121 N122 F147 I155 N156 M160V118-T149 HydrophobicContact CG1-CG2 3.78Å; V118-T149 VanDerWaalsContact CG1-OG1 3.26Å; V118-T149 WeakPolarHBondContact CG1-OG1 3.45Å; G119-T149 PolarHBondContact O-N 3.04Å; N120-T149 CarbonylContact C-O 3.51Å; N120-T149 WeakPolarHBondContact CA-O 3.39Å; N120-T149 PolarHBondContact OD1-O 2.86Å; N120-T149 PolarHBondContact OD1-OG1 3.49Å; K121-T149 PolarHBondContact N-O 3.3Å; N122-T149 WeakPolarHBondContact CB-O 3.18Å; N122-T149 PolarHBondContact N-O 3.23Å; F147-T149 HydrophobicContact CB-CG2 4.18Å; T149-I155 VanDerWaalsContact CA-O 3.27Å; T149-I155 WeakPolarHBondContact CA-O 3.24Å; T149-I155 WeakPolarHBondContact CB-O 3.38Å; T149-N156 HydrophobicContact CG2-CB 3.91Å; T149-M160 HydrophobicContact CG2-CB 4.23Å; T149-M160 HydrophobicContact CG2-CG 4.47Å
150S97.9Very high96.8Very high0 Ų056.4 Ų56.40%030%0.295CS..BIsolated β-bridgetrans-131.3111.4161.1178.50000109.4D123 K152 E153 N154 I155D123-S150 WeakPolarHBondContact CB-OG 3.34Å; D123-S150 PolarHBondContact OD1-OG 3.35Å; S150-K152 PolarHBondContact O-N 3.33Å; S150-K152 PolarHBondContact OG-N 3.12Å; S150-E153 PolarHBondContact OG-N 3.46Å; S150-E153 VanDerWaalsContact OG-N 3.16Å; S150-N154 CarbonylContact O-C 3.5Å; S150-N154 VanDerWaalsContact O-CA 3.25Å; S150-N154 WeakPolarHBondContact O-CA 3.23Å; S150-N154 PolarHBondContact O-N 2.88Å; S150-I155 PolarHBondContact N-O 2.67Å; S150-I155 PolarHBondContact O-N 3.27Å
151A97.1Very high96.8Very high3 Ų350.5 Ų50.53%0.02527%0.267CS..THydrogen-bonded Turntrans-61.2-29.2170.500000112.4L24 R27 F33 N120L24-A151 HydrophobicContact CD2-CB 3.96Å; L24-A151 HydrophobicContact CG-CB 4.19Å; R27-A151 PolarHBondContact NE-O 3.32Å; R27-A151 PolarHBondContact NH2-O 3.14Å; F33-A151 HydrophobicContact CD2-CB 4.46Å; N120-A151 PolarHBondContact OD1-N 3.39Å
152K96Very high96.9Very high93 Ų9345.5 Ų45.540%0.40425%0.245SC..THydrogen-bonded Turntrans-69.1-56.3-179.8179.4-170167.3-166.40110.7R27 F33 D123 S150 N154R27-K152 PolarHBondContact NH2-O 3.26Å; F33-K152 HydrophobicContact CD1-CG 4.32Å; F33-K152 HydrophobicContact CD2-CB 4.26Å; F33-K152 HydrophobicContact CE1-CB 4.15Å; F33-K152 HydrophobicContact CE1-CG 3.86Å; F33-K152 HydrophobicContact CE2-CB 3.85Å; F33-K152 HydrophobicContact CE2-CG 4.46Å; F33-K152 HydrophobicContact CZ-CB 3.79Å; F33-K152 HydrophobicContact CZ-CG 3.94Å; D123-K152 HydrophobicContact CB-CD 4.5Å; D123-K152 VanDerWaalsContact OD2-CD 3.22Å; D123-K152 WeakPolarHBondContact OD2-CD 3.41Å; D123-K152 IonicContact OD2-NZ 3.63Å; D123-K152 PolarHBondContact OD2-NZ 2.9Å; S150-K152 PolarHBondContact O-N 3.33Å; S150-K152 PolarHBondContact OG-N 3.12Å; K152-N154 VanDerWaalsContact C-N 3.31Å; K152-N154 PolarHBondContact O-N 3.48Å
153E96.3Very high97.1Very high107 Ų10742.6 Ų42.650%0.523%0.233SC..THydrogen-bonded Turntrans-87.51.3-177.6-57.7-55.7142.600113.5D123 S150 I155D123-E153 HydrophobicContact CB-CG 3.6Å; S150-E153 PolarHBondContact OG-N 3.46Å; S150-E153 VanDerWaalsContact OG-N 3.16Å; E153-I155 VanDerWaalsContact C-N 3.34Å; E153-I155 HydrophobicContact CB-CD1 3.73Å; E153-I155 HydrophobicContact CB-CG1 3.86Å; E153-I155 PolarHBondContact O-N 3.27Å
154N96.3Very high97.3Very high67 Ų6739.2 Ų39.236%0.35820%0.199SC..THydrogen-bonded Turntrans56.442.7-175.8-165.135.3000113.7R27 S150 K152R27-N154 VanDerWaalsContact CD-OD1 3.31Å; R27-N154 WeakPolarHBondContact CD-OD1 3.46Å; R27-N154 HydrophobicContact CG-CB 4.33Å; R27-N154 VanDerWaalsContact CG-OD1 3.22Å; R27-N154 WeakPolarHBondContact CG-OD1 3.35Å; S150-N154 CarbonylContact O-C 3.5Å; S150-N154 VanDerWaalsContact O-CA 3.25Å; S150-N154 WeakPolarHBondContact O-CA 3.23Å; S150-N154 PolarHBondContact O-N 2.88Å; K152-N154 VanDerWaalsContact C-N 3.31Å; K152-N154 PolarHBondContact O-N 3.48Å
155I97.6Very high97.4Very high72 Ų7238.2 Ų38.237%0.36919%0.193SC..BIsolated β-bridgetrans-94.8127.4179.5-60.6169.9000109.3T149 S150 E153 V157T149-I155 VanDerWaalsContact CA-O 3.27Å; T149-I155 WeakPolarHBondContact CA-O 3.24Å; T149-I155 WeakPolarHBondContact CB-O 3.38Å; S150-I155 PolarHBondContact N-O 2.67Å; S150-I155 PolarHBondContact O-N 3.27Å; E153-I155 VanDerWaalsContact C-N 3.34Å; E153-I155 HydrophobicContact CB-CD1 3.73Å; E153-I155 HydrophobicContact CB-CG1 3.86Å; E153-I155 PolarHBondContact O-N 3.27Å; I155-V157 PolarHBondContact O-N 2.95Å
156N97.6Very high97.4Very high64 Ų6439.9 Ų39.934%0.34220%0.195SC..SBendtrans58.112.4176.5-72-25.1000115.5E148 T149 E159 M160E148-N156 WeakPolarHBondContact O-CB 3.26Å; E148-N156 PolarHBondContact O-ND2 2.93Å; T149-N156 HydrophobicContact CG2-CB 3.91Å; N156-E159 VanDerWaalsContact C-OE2 3.26Å; N156-E159 WeakPolarHBondContact CA-OE2 3.29Å; N156-M160 WeakPolarHBondContact O-CB 3.36Å; N156-M160 PolarHBondContact O-N 3.25Å
157V97.8Very high97.3Very high1 Ų141.7 Ų41.71%0.00621%0.205CC..Hα-helixtrans-70.5-49.1-175.8-179.70000110.3L24 R27 F28 I155 F161L24-V157 HydrophobicContact CD2-CG1 4.28Å; L24-V157 HydrophobicContact CD2-CG2 3.9Å; R27-V157 HydrophobicContact CB-CG1 4.32Å; R27-V157 HydrophobicContact CG-CB 4.28Å; R27-V157 HydrophobicContact CG-CG1 4Å; R27-V157 HydrophobicContact CG-CG2 4.06Å; F28-V157 HydrophobicContact CB-CG1 4.04Å; I155-V157 PolarHBondContact O-N 2.95Å; V157-F161 HydrophobicContact CG1-CD2 4.22Å; V157-F161 HydrophobicContact CG1-CE2 4.23Å; V157-F161 VanDerWaalsContact O-CD2 3.28Å; V157-F161 WeakPolarHBondContact O-CD2 3.45Å; V157-F161 PolarHBondContact O-N 3.4Å
158E96.8Very high97.3Very high82 Ų8239.9 Ų39.938%0.38320%0.197SC..Hα-helixtrans-70.5-41-178.3-172.1148.6-141.400111.5F28 R48 M160 F161 N162F28-E158 HydrophobicContact CE2-CG 4.49Å; R48-E158 IonicContact CZ-OE1 2.68Å; R48-E158 IonicContact NH1-OE1 3.04Å; R48-E158 IonicContact NH2-OE1 2.72Å; R48-E158 PolarHBondContact NH2-OE1 2.85Å; E158-M160 VanDerWaalsContact C-N 3.32Å; E158-M160 PolarHBondContact O-N 2.9Å; E158-F161 PolarHBondContact O-N 3.29Å; E158-N162 WeakPolarHBondContact O-CB 3.25Å; E158-N162 PolarHBondContact O-N 2.77Å; E158-N162 PolarHBondContact O-ND2 2.68Å
159E97.4Very high97.1Very high99 Ų9938.8 Ų38.846%0.46319%0.192SC..Hα-helixtrans-58.8-43.2176.1-64.281.8175.600111.6F147 N156 N162 C163F147-E159 HydrophobicContact CE1-CB 4.46Å; N156-E159 VanDerWaalsContact C-OE2 3.26Å; N156-E159 WeakPolarHBondContact CA-OE2 3.29Å; E159-N162 PolarHBondContact O-N 3.41Å; E159-C163 VanDerWaalsContact O-CB 3.29Å; E159-C163 WeakPolarHBondContact O-CB 3.26Å; E159-C163 PolarHBondContact O-N 3.33Å
160M97.9Very high97Very high0 Ų045 Ų450%022%0.219CC..Hα-helixtrans-63.3-46.9177.7177.6-82-68.100111.8I85 I116 V118 F147 T149 N156 E158 C163 I164I85-M160 HydrophobicContact CD1-SD 3.85Å; I85-M160 HydrophobicContact CG1-SD 4.43Å; I85-M160 HydrophobicContact CG2-CE 4.41Å; I85-M160 HydrophobicContact CG2-SD 3.89Å; I116-M160 HydrophobicContact CD1-CG 3.54Å; I116-M160 HydrophobicContact CD1-SD 3.39Å; I116-M160 WeakPolarHBondContact CD1-SD 3.42Å; V118-M160 HydrophobicContact CG2-CE 4.45Å; V118-M160 HydrophobicContact CG2-CG 3.65Å; V118-M160 HydrophobicContact CG2-SD 3.94Å; F147-M160 HydrophobicContact CB-CB 4.17Å; F147-M160 HydrophobicContact CB-CG 4Å; F147-M160 HydrophobicContact CD1-CB 3.96Å; F147-M160 HydrophobicContact CD2-CB 4.42Å; F147-M160 HydrophobicContact CD2-CG 4.19Å; F147-M160 HydrophobicContact CG-CB 3.92Å; F147-M160 HydrophobicContact CG-CG 3.98Å; T149-M160 HydrophobicContact CG2-CB 4.23Å; T149-M160 HydrophobicContact CG2-CG 4.47Å; N156-M160 WeakPolarHBondContact O-CB 3.36Å; N156-M160 PolarHBondContact O-N 3.25Å; E158-M160 VanDerWaalsContact C-N 3.32Å; E158-M160 PolarHBondContact O-N 2.9Å; M160-C163 PolarHBondContact O-N 3.49Å; M160-I164 PolarHBondContact O-N 3.07Å
161F97.9Very high96.8Very high0 Ų046.6 Ų46.60%023%0.232CC..Hα-helixtrans-67.6-36.7177.8-84.4-74.2000112.6L11 I13 F28 I61 I85 V157 E158 I164 T165L11-F161 HydrophobicContact CD1-CD1 4.31Å; I13-F161 HydrophobicContact CD1-CE1 4.39Å; I13-F161 HydrophobicContact CD1-CZ 3.97Å; F28-F161 HydrophobicContact CB-CD2 3.57Å; F28-F161 HydrophobicContact CB-CE2 3.42Å; F28-F161 VanDerWaalsContact CB-CE2 3.42Å; F28-F161 HydrophobicContact CB-CG 4.45Å; F28-F161 HydrophobicContact CB-CZ 4.19Å; F28-F161 HydrophobicContact CD1-CB 4.46Å; F28-F161 HydrophobicContact CD1-CD1 4.12Å; F28-F161 AromaticContact CD1-CD2 3.87Å; F28-F161 HydrophobicContact CD1-CD2 3.87Å; F28-F161 HydrophobicContact CD1-CE1 4.32Å; F28-F161 HydrophobicContact CD1-CE2 4.09Å; F28-F161 AromaticContact CD1-CG 3.9Å; F28-F161 HydrophobicContact CD1-CG 3.9Å; F28-F161 HydrophobicContact CD1-CZ 4.3Å; F28-F161 HydrophobicContact CD2-CB 3.73Å; F28-F161 AromaticContact CD2-CD2 3.38Å; F28-F161 HydrophobicContact CD2-CD2 3.38Å; F28-F161 HydrophobicContact CD2-CE2 4.16Å; F28-F161 AromaticContact CD2-CG 3.7Å; F28-F161 HydrophobicContact CD2-CG 3.7Å; F28-F161 HydrophobicContact CE1-CB 4.15Å; F28-F161 HydrophobicContact CE1-CD1 4.13Å; F28-F161 HydrophobicContact CE1-CD2 4.4Å; F28-F161 AromaticContact CE1-CG 3.98Å; F28-F161 HydrophobicContact CE1-CG 3.98Å; F28-F161 HydrophobicContact CE2-CB 3.36Å; F28-F161 AromaticContact CE2-CD2 3.98Å; F28-F161 HydrophobicContact CE2-CD2 3.98Å; F28-F161 AromaticContact CE2-CG 3.8Å; F28-F161 HydrophobicContact CE2-CG 3.8Å; F28-F161 HydrophobicContact CG-CB 4.26Å; F28-F161 HydrophobicContact CG-CD1 4.39Å; F28-F161 AromaticContact CG-CD2 3.31Å; F28-F161 HydrophobicContact CG-CD2 3.31Å; F28-F161 AromaticContact CG-CE2 3.64Å; F28-F161 HydrophobicContact CG-CE2 3.64Å; F28-F161 AromaticContact CG-CG 3.75Å; F28-F161 HydrophobicContact CG-CG 3.75Å; F28-F161 HydrophobicContact CG-CZ 4.3Å; F28-F161 HydrophobicContact CZ-CB 3.6Å; F28-F161 HydrophobicContact CZ-CD1 4.42Å; F28-F161 HydrophobicContact CZ-CD2 4.44Å; F28-F161 AromaticContact CZ-CG 3.94Å; F28-F161 HydrophobicContact CZ-CG 3.94Å; I61-F161 HydrophobicContact CD1-CD1 4.07Å; I61-F161 HydrophobicContact CD1-CE1 3.78Å; I61-F161 HydrophobicContact CD1-CZ 4.5Å; I61-F161 HydrophobicContact CG1-CE1 4.39Å; I61-F161 HydrophobicContact CG2-CE1 4.05Å; I85-F161 HydrophobicContact CD1-CD1 3.8Å; I85-F161 HydrophobicContact CD1-CE1 3.41Å; I85-F161 VanDerWaalsContact CD1-CE1 3.41Å; I85-F161 HydrophobicContact CD1-CZ 4.07Å; V157-F161 HydrophobicContact CG1-CD2 4.22Å; V157-F161 HydrophobicContact CG1-CE2 4.23Å; V157-F161 VanDerWaalsContact O-CD2 3.28Å; V157-F161 WeakPolarHBondContact O-CD2 3.45Å; V157-F161 PolarHBondContact O-N 3.4Å; E158-F161 PolarHBondContact O-N 3.29Å; F161-I164 VanDerWaalsContact O-CG2 3.25Å; F161-I164 WeakPolarHBondContact O-CG2 3.36Å; F161-T165 WeakPolarHBondContact O-CB 3.27Å; F161-T165 PolarHBondContact O-N 3.26Å; F161-T165 VanDerWaalsContact O-N 3.1Å; F161-T165 PolarHBondContact O-OG1 3.18Å
162N97Very high96.6Very high42 Ų4250.5 Ų50.523%0.22525%0.249CC..Hα-helixtrans-65.7-43.3175.1-71.1-14.9000110.9I52 E158 E159 T165 E166I52-N162 HydrophobicContact CD1-CB 4.01Å; E158-N162 WeakPolarHBondContact O-CB 3.25Å; E158-N162 PolarHBondContact O-N 2.77Å; E158-N162 PolarHBondContact O-ND2 2.68Å; E159-N162 PolarHBondContact O-N 3.41Å; N162-T165 WeakPolarHBondContact O-CB 3.31Å; N162-T165 PolarHBondContact O-N 2.87Å; N162-T165 VanDerWaalsContact O-N 3.16Å; N162-E166 WeakPolarHBondContact O-CG 3.42Å; N162-E166 PolarHBondContact O-N 2.91Å
163C97.5Very high96.5Very high27 Ų2749.9 Ų49.918%0.18225%0.246CC..Hα-helixtrans-59.8-50.6178.5-178.80000112.5F147 E159 M160 T165 E166 L167F147-C163 HydrophobicContact CE1-CB 4.42Å; F147-C163 HydrophobicContact CE2-CB 3.79Å; F147-C163 HydrophobicContact CZ-CB 3.45Å; F147-C163 VanDerWaalsContact CZ-CB 3.45Å; E159-C163 VanDerWaalsContact O-CB 3.29Å; E159-C163 WeakPolarHBondContact O-CB 3.26Å; E159-C163 PolarHBondContact O-N 3.33Å; M160-C163 PolarHBondContact O-N 3.49Å; C163-T165 PolarHBondContact O-N 3.45Å; C163-E166 WeakPolarHBondContact O-CB 3.37Å; C163-E166 PolarHBondContact O-N 2.74Å; C163-L167 WeakPolarHBondContact O-CG 3.42Å; C163-L167 PolarHBondContact O-N 2.97Å
164I97.7Very high96.3Very high0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-63.6-34.3177.1-174.961.1000111.6L11 I85 C114 I116 M160 F161 L167 V168L11-I164 HydrophobicContact CD1-CG2 4Å; L11-I164 HydrophobicContact CD2-CG1 4.17Å; I85-I164 HydrophobicContact CD1-CG2 4.17Å; I85-I164 HydrophobicContact CG1-CG2 4.39Å; C114-I164 HydrophobicContact CB-CD1 3.74Å; I116-I164 HydrophobicContact CD1-CB 3.8Å; I116-I164 HydrophobicContact CD1-CG2 4.13Å; I116-I164 HydrophobicContact CG1-CB 4.1Å; I116-I164 HydrophobicContact CG1-CD1 4.29Å; I116-I164 HydrophobicContact CG1-CG1 4.34Å; I116-I164 HydrophobicContact CG2-CB 4.36Å; I116-I164 HydrophobicContact CG2-CD1 4.12Å; M160-I164 PolarHBondContact O-N 3.07Å; F161-I164 VanDerWaalsContact O-CG2 3.25Å; F161-I164 WeakPolarHBondContact O-CG2 3.36Å; I164-L167 HydrophobicContact CD1-CD1 4.45Å; I164-L167 PolarHBondContact O-N 3.4Å; I164-V168 HydrophobicContact CD1-CG2 4.34Å; I164-V168 HydrophobicContact CG1-CG2 4.44Å; I164-V168 VanDerWaalsContact O-CG2 3.27Å; I164-V168 WeakPolarHBondContact O-CG2 3.44Å; I164-V168 PolarHBondContact O-N 2.86Å
165T97.5Very high96Very high0 Ų048.6 Ų48.60%024%0.242CC..Hα-helixtrans-64.8-43.1176.3-58.80000111.4F9 V50 I52 V57 L59 F161 N162 C163 V168 L169F9-T165 HydrophobicContact CD2-CG2 4.49Å; V50-T165 HydrophobicContact CG2-CG2 4.17Å; I52-T165 HydrophobicContact CG1-CG2 3.9Å; V57-T165 HydrophobicContact CB-CG2 4.14Å; V57-T165 HydrophobicContact CG1-CG2 3.77Å; V57-T165 HydrophobicContact CG2-CG2 4.36Å; L59-T165 WeakPolarHBondContact CD1-OG1 3.47Å; L59-T165 HydrophobicContact CD2-CG2 3.92Å; F161-T165 WeakPolarHBondContact O-CB 3.27Å; F161-T165 PolarHBondContact O-N 3.26Å; F161-T165 VanDerWaalsContact O-N 3.1Å; F161-T165 PolarHBondContact O-OG1 3.18Å; N162-T165 WeakPolarHBondContact O-CB 3.31Å; N162-T165 PolarHBondContact O-N 2.87Å; N162-T165 VanDerWaalsContact O-N 3.16Å; C163-T165 PolarHBondContact O-N 3.45Å; T165-V168 PolarHBondContact O-N 3.39Å; T165-L169 VanDerWaalsContact O-CB 3.24Å; T165-L169 WeakPolarHBondContact O-CB 3.25Å; T165-L169 PolarHBondContact O-N 3.36Å
166E96.8Very high95.6Very high88 Ų8848 Ų4841%0.41124%0.239SC..Hα-helixtrans-62-44174.1-76.9176-174.600112.4I52 N162 C163 V168 L169 K170I52-E166 HydrophobicContact CG2-CG 3.38Å; N162-E166 WeakPolarHBondContact O-CG 3.42Å; N162-E166 PolarHBondContact O-N 2.91Å; C163-E166 WeakPolarHBondContact O-CB 3.37Å; C163-E166 PolarHBondContact O-N 2.74Å; E166-V168 PolarHBondContact O-N 2.89Å; E166-L169 PolarHBondContact O-N 3.23Å; E166-K170 VanDerWaalsContact O-CB 3.32Å; E166-K170 WeakPolarHBondContact O-CB 3.22Å; E166-K170 PolarHBondContact O-N 3.15Å
167L96.3Very high95.2Very high62 Ų6247 Ų4733%0.32524%0.239SC..Hα-helixtrans-59.1-47.8176.7-70.6175.8000111.3C114 I116 C163 I164 K170 A171C114-L167 HydrophobicContact CB-CB 4.27Å; I116-L167 HydrophobicContact CG2-CD1 3.89Å; C163-L167 WeakPolarHBondContact O-CG 3.42Å; C163-L167 PolarHBondContact O-N 2.97Å; I164-L167 HydrophobicContact CD1-CD1 4.45Å; I164-L167 PolarHBondContact O-N 3.4Å; L167-K170 PolarHBondContact O-N 2.84Å; L167-A171 WeakPolarHBondContact O-CB 3.46Å; L167-A171 PolarHBondContact O-N 2.82Å
168V96.5Very high94.8Very high4 Ų453 Ų532%0.02427%0.265CS..Hα-helixtrans-64.2-43178172.30000111.3F9 L11 H82 C114 I164 T165 E166 K170 A171 K172F9-V168 HydrophobicContact CB-CG1 4.17Å; F9-V168 HydrophobicContact CD1-CG1 3.53Å; F9-V168 HydrophobicContact CD2-CB 4.29Å; F9-V168 HydrophobicContact CD2-CG1 3.64Å; F9-V168 HydrophobicContact CE1-CG1 3.74Å; F9-V168 HydrophobicContact CE2-CB 4.45Å; F9-V168 HydrophobicContact CE2-CG1 3.85Å; F9-V168 HydrophobicContact CG-CG1 3.5Å; F9-V168 HydrophobicContact CZ-CG1 3.91Å; L11-V168 HydrophobicContact CD2-CG2 4.3Å; H82-V168 HydrophobicContact CB-CG1 3.57Å; H82-V168 HydrophobicContact CB-CG2 4.32Å; H82-V168 WeakPolarHBondContact O-CG2 3.42Å; C114-V168 HydrophobicContact CB-CG2 3.76Å; I164-V168 HydrophobicContact CD1-CG2 4.34Å; I164-V168 HydrophobicContact CG1-CG2 4.44Å; I164-V168 VanDerWaalsContact O-CG2 3.27Å; I164-V168 WeakPolarHBondContact O-CG2 3.44Å; I164-V168 PolarHBondContact O-N 2.86Å; T165-V168 PolarHBondContact O-N 3.39Å; E166-V168 PolarHBondContact O-N 2.89Å; V168-K170 PolarHBondContact O-N 3.48Å; V168-A171 PolarHBondContact O-N 3.18Å; V168-K172 WeakPolarHBondContact O-CB 3.35Å; V168-K172 PolarHBondContact O-N 3.3Å
169L95.9Very high94.3Very high4 Ų453.6 Ų53.62%0.02127%0.268CS..Hα-helixtrans-62.6-44.1179-174.560.8000111.4Y7 F9 I52 E55 V57 T165 E166 K172 K173Y7-L169 HydrophobicContact CD1-CD1 3.95Å; Y7-L169 HydrophobicContact CD2-CD1 3.67Å; Y7-L169 HydrophobicContact CE1-CD1 4.01Å; Y7-L169 HydrophobicContact CE2-CD1 3.8Å; Y7-L169 HydrophobicContact CG-CD1 3.77Å; F9-L169 HydrophobicContact CE2-CB 3.97Å; F9-L169 HydrophobicContact CE2-CD1 3.9Å; F9-L169 HydrophobicContact CZ-CB 4.31Å; F9-L169 HydrophobicContact CZ-CD1 3.79Å; I52-L169 HydrophobicContact CB-CD2 4.41Å; I52-L169 HydrophobicContact CG2-CD2 3.97Å; E55-L169 WeakPolarHBondContact OE2-CD1 3.42Å; E55-L169 WeakPolarHBondContact OE2-CD2 3.36Å; V57-L169 HydrophobicContact CG2-CD2 4.41Å; T165-L169 VanDerWaalsContact O-CB 3.24Å; T165-L169 WeakPolarHBondContact O-CB 3.25Å; T165-L169 PolarHBondContact O-N 3.36Å; E166-L169 PolarHBondContact O-N 3.23Å; L169-K172 PolarHBondContact O-N 3.38Å; L169-K173 HydrophobicContact CG-CD 4.49Å; L169-K173 WeakPolarHBondContact O-CG 3.48Å; L169-K173 PolarHBondContact O-N 2.87Å
170K95.1Very high93.5Very high130 Ų13055 Ų5557%0.56528%0.275SS*.Hα-helixtrans-61.5-50.4176.1-175.9-179176.5-175.40111.2E166 L167 V168 K172 K173 E174E166-K170 VanDerWaalsContact O-CB 3.32Å; E166-K170 WeakPolarHBondContact O-CB 3.22Å; E166-K170 PolarHBondContact O-N 3.15Å; L167-K170 PolarHBondContact O-N 2.84Å; V168-K170 PolarHBondContact O-N 3.48Å; K170-K172 VanDerWaalsContact C-N 3.27Å; K170-K172 PolarHBondContact O-N 2.9Å; K170-K173 PolarHBondContact O-N 3.15Å; K170-K173 VanDerWaalsContact O-N 3.15Å; K170-E174 WeakPolarHBondContact CE-OE1 3.16Å; K170-E174 WeakPolarHBondContact O-CG 3.37Å; K170-E174 PolarHBondContact O-N 3.47Å
171A93.8Very high92.6Very high33 Ų3360.8 Ų60.827%0.27330%0.302SS..Hα-helixtrans-56.8-43.1177.200000111.4L167 V168 K173 E174 V175L167-A171 WeakPolarHBondContact O-CB 3.46Å; L167-A171 PolarHBondContact O-N 2.82Å; V168-A171 PolarHBondContact O-N 3.18Å; A171-K173 PolarHBondContact O-N 3.35Å; A171-E174 PolarHBondContact O-N 3.02Å; A171-V175 WeakPolarHBondContact O-CG2 3.09Å; A171-V175 PolarHBondContact O-N 2.93Å; A171-V175 VanDerWaalsContact O-N 3.1Å
172K93.1Very high91.6Very high85 Ų8566.8 Ų66.837%0.3733%0.33SS..Hα-helixtrans-61.3-45.5176.9-174.463.5176.9-174.20112.3Y7 F9 V168 L169 K170 V175 L176Y7-K172 HydrophobicContact CD1-CG 4.5Å; F9-K172 HydrophobicContact CE1-CB 4.23Å; F9-K172 HydrophobicContact CE1-CG 4.23Å; F9-K172 HydrophobicContact CZ-CB 4.24Å; F9-K172 HydrophobicContact CZ-CG 4.48Å; V168-K172 WeakPolarHBondContact O-CB 3.35Å; V168-K172 PolarHBondContact O-N 3.3Å; L169-K172 PolarHBondContact O-N 3.38Å; K170-K172 VanDerWaalsContact C-N 3.27Å; K170-K172 PolarHBondContact O-N 2.9Å; K172-V175 PolarHBondContact O-N 3.33Å; K172-L176 HydrophobicContact CG-CD1 4.36Å; K172-L176 WeakPolarHBondContact O-CG 3.37Å; K172-L176 PolarHBondContact O-N 3.03Å; K172-L176 VanDerWaalsContact O-N 3.08Å
173K92.9Very high90.4Very high80 Ų8071.1 Ų71.135%0.34835%0.349SS..Hα-helixtrans-64.2-40.1178.7-75.7179.2173.8-177.50112.3Y7 E55 L169 K170 A171 V175 L176 A177Y7-K173 WeakPolarHBondContact OH-CE 3.28Å; E55-K173 WeakPolarHBondContact OE1-CE 3.27Å; E55-K173 IonicContact OE1-NZ 2.77Å; E55-K173 PolarHBondContact OE1-NZ 3.46Å; E55-K173 WeakPolarHBondContact OE2-CE 3.38Å; E55-K173 IonicContact OE2-NZ 2.77Å; E55-K173 PolarHBondContact OE2-NZ 3.28Å; L169-K173 HydrophobicContact CG-CD 4.49Å; L169-K173 WeakPolarHBondContact O-CG 3.48Å; L169-K173 PolarHBondContact O-N 2.87Å; K170-K173 PolarHBondContact O-N 3.15Å; K170-K173 VanDerWaalsContact O-N 3.15Å; A171-K173 PolarHBondContact O-N 3.35Å; K173-V175 PolarHBondContact O-N 3.03Å; K173-L176 PolarHBondContact O-N 2.87Å; K173-A177 WeakPolarHBondContact O-CB 3.47Å; K173-A177 PolarHBondContact O-N 3.33Å
174E92.3Very high89.2Confident91 Ų9176.4 Ų76.443%0.42537%0.371SS..Hα-helixtrans-62.7-41.6176.4-72.2177.7-170.900112.1K170 A171 A177 K178K170-E174 WeakPolarHBondContact CE-OE1 3.16Å; K170-E174 WeakPolarHBondContact O-CG 3.37Å; K170-E174 PolarHBondContact O-N 3.47Å; A171-E174 PolarHBondContact O-N 3.02Å; E174-A177 PolarHBondContact O-N 3.26Å; E174-K178 WeakPolarHBondContact O-CG 3.45Å; E174-K178 PolarHBondContact O-N 2.88Å
175V89.8Confident87.9Confident57 Ų5781.3 Ų81.335%0.34540%0.397SS..Hα-helixtrans-61.9-45.4174.6171.70000111.1A171 K172 K173 A177 K178 Q179A171-V175 WeakPolarHBondContact O-CG2 3.09Å; A171-V175 PolarHBondContact O-N 2.93Å; A171-V175 VanDerWaalsContact O-N 3.1Å; K172-V175 PolarHBondContact O-N 3.33Å; K173-V175 PolarHBondContact O-N 3.03Å; V175-A177 PolarHBondContact O-N 3.05Å; V175-K178 PolarHBondContact O-N 2.94Å; V175-Q179 WeakPolarHBondContact O-CG 3.42Å; V175-Q179 PolarHBondContact O-N 3.46Å; V175-Q179 VanDerWaalsContact O-N 3.09Å
176L89.3Confident86.5Confident60 Ų6085.6 Ų85.631%0.31442%0.42SS..Hα-helixtrans-62.6-42178.2-69.3171.8000112K172 K173 Q179 Q180K172-L176 HydrophobicContact CG-CD1 4.36Å; K172-L176 WeakPolarHBondContact O-CG 3.37Å; K172-L176 PolarHBondContact O-N 3.03Å; K172-L176 VanDerWaalsContact O-N 3.08Å; K173-L176 PolarHBondContact O-N 2.87Å; L176-Q179 PolarHBondContact O-N 3.49Å; L176-Q180 WeakPolarHBondContact O-CG 3.23Å; L176-Q180 PolarHBondContact O-N 3.31Å
177A90.8Very high85.2Confident42 Ų4285.7 Ų85.735%0.34743%0.426SS..Hα-helixtrans-63.2-43.4177.900000112.1K173 E174 V175 Q179 Q180 Q181K173-A177 WeakPolarHBondContact O-CB 3.47Å; K173-A177 PolarHBondContact O-N 3.33Å; E174-A177 PolarHBondContact O-N 3.26Å; V175-A177 PolarHBondContact O-N 3.05Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.04Å; A177-Q180 PolarHBondContact O-N 2.91Å; A177-Q181 WeakPolarHBondContact O-CG 3.35Å; A177-Q181 PolarHBondContact O-N 2.81Å; A177-Q181 VanDerWaalsContact O-N 3.08Å
178K88.6Confident83.7Confident127 Ų12786.5 Ų86.555%0.55243%0.433SS*.Hα-helixtrans-61.9-40.5176.3-72.3172.1-175.4171.50112E174 V175 Q181 Q182E174-K178 WeakPolarHBondContact O-CG 3.45Å; E174-K178 PolarHBondContact O-N 2.88Å; V175-K178 PolarHBondContact O-N 2.94Å; K178-Q181 PolarHBondContact O-N 2.99Å; K178-Q182 WeakPolarHBondContact O-CG 3.26Å; K178-Q182 PolarHBondContact O-N 3.02Å; K178-Q182 VanDerWaalsContact O-N 3.07Å
179Q85.6Confident82.1Confident94 Ų9492.8 Ų92.844%0.43946%0.461SS..Hα-helixtrans-65.2-41.8177.4-72.3174.7-1.500112.3V175 L176 A177 Q182 Q183V175-Q179 WeakPolarHBondContact O-CG 3.42Å; V175-Q179 PolarHBondContact O-N 3.46Å; V175-Q179 VanDerWaalsContact O-N 3.09Å; L176-Q179 PolarHBondContact O-N 3.49Å; A177-Q179 VanDerWaalsContact C-N 3.34Å; A177-Q179 PolarHBondContact O-N 3.04Å; Q179-Q182 PolarHBondContact O-N 3.05Å; Q179-Q183 WeakPolarHBondContact O-CG 3.24Å; Q179-Q183 PolarHBondContact O-N 2.95Å
180Q82.3Confident80.3Confident128 Ų12898.7 Ų98.760%0.59849%0.492SS*.Hα-helixtrans-63.8-42.8177.1-71.6174.46.200111.8L176 A177 Q182 Q183 Q184L176-Q180 WeakPolarHBondContact O-CG 3.23Å; L176-Q180 PolarHBondContact O-N 3.31Å; A177-Q180 PolarHBondContact O-N 2.91Å; Q180-Q182 PolarHBondContact O-N 3.01Å; Q180-Q183 PolarHBondContact O-N 2.8Å; Q180-Q184 WeakPolarHBondContact O-CB 3.27Å; Q180-Q184 PolarHBondContact O-N 3.14Å
181Q78.9Confident78.7Confident122 Ų12296.1 Ų96.157%0.5749%0.487SS*.Hα-helixtrans-64.4-38.8176.8-71.5176.84.100112.6A177 K178 Q184 N185A177-Q181 WeakPolarHBondContact O-CG 3.35Å; A177-Q181 PolarHBondContact O-N 2.81Å; A177-Q181 VanDerWaalsContact O-N 3.08Å; K178-Q181 PolarHBondContact O-N 2.99Å; Q181-Q184 PolarHBondContact O-N 2.72Å; Q181-N185 WeakPolarHBondContact O-CB 2.98Å; Q181-N185 PolarHBondContact O-N 2.96Å; Q181-N185 PolarHBondContact O-ND2 3.06Å
182Q75.5Confident77Confident126 Ų126104.1 Ų104.159%0.58951%0.51SS*.Hα-helixtrans-64.6-46.3175.5-77.7177.4-7.900111.9K178 Q179 Q180 Q184 N185 D186K178-Q182 WeakPolarHBondContact O-CG 3.26Å; K178-Q182 PolarHBondContact O-N 3.02Å; K178-Q182 VanDerWaalsContact O-N 3.07Å; Q179-Q182 PolarHBondContact O-N 3.05Å; Q180-Q182 PolarHBondContact O-N 3.01Å; Q182-Q184 VanDerWaalsContact C-N 3.31Å; Q182-Q184 PolarHBondContact O-N 2.87Å; Q182-N185 PolarHBondContact O-N 2.91Å; Q182-D186 PolarHBondContact O-N 3.09Å
183Q73Confident75.2Confident133 Ų133106 Ų10662%0.62152%0.524SS*.Hα-helixtrans-60.7-40.4176.7-73.8177.27.200112.1Q179 Q180 D186 V187Q179-Q183 WeakPolarHBondContact O-CG 3.24Å; Q179-Q183 PolarHBondContact O-N 2.95Å; Q180-Q183 PolarHBondContact O-N 2.8Å; Q183-D186 PolarHBondContact O-N 2.87Å; Q183-V187 VanDerWaalsContact O-CG2 3.28Å; Q183-V187 WeakPolarHBondContact O-CG2 3.49Å; Q183-V187 PolarHBondContact O-N 3.45Å; Q183-V187 VanDerWaalsContact O-N 3.08Å
184Q71.4Confident73.4Confident139 Ų139106.2 Ų106.265%0.6554%0.535SS*.Hα-helixtrans-66-39.8178.5-145.8169.427.200111.8Q180 Q181 Q182 V187 V188Q180-Q184 WeakPolarHBondContact O-CB 3.27Å; Q180-Q184 PolarHBondContact O-N 3.14Å; Q181-Q184 PolarHBondContact O-N 2.72Å; Q182-Q184 VanDerWaalsContact C-N 3.31Å; Q182-Q184 PolarHBondContact O-N 2.87Å; Q184-V187 PolarHBondContact O-N 3.11Å; Q184-V188 VanDerWaalsContact O-CG2 3.31Å; Q184-V188 WeakPolarHBondContact O-CG2 3.14Å; Q184-V188 PolarHBondContact O-N 3.04Å; Q184-V188 VanDerWaalsContact O-N 3.14Å
185N69.8Low71.6Confident102 Ų102110.8 Ų110.855%0.54555%0.554SS.*Hα-helixtrans-66.6-36.8176.2-78-27.8000113.1Q181 Q182 K189Q181-N185 WeakPolarHBondContact O-CB 2.98Å; Q181-N185 PolarHBondContact O-N 2.96Å; Q181-N185 PolarHBondContact O-ND2 3.06Å; Q182-N185 PolarHBondContact O-N 2.91Å; N185-K189 WeakPolarHBondContact O-CG 3.32Å; N185-K189 PolarHBondContact O-N 2.96Å; N185-K189 VanDerWaalsContact O-N 3.13Å
186D68.1Low69.9Low90 Ų90118.7 Ų118.748%0.48158%0.578SS.*Hα-helixtrans-71.3-37.6177.3-76.1-26.5000112.4Q182 Q183 V188 K189 L190Q182-D186 PolarHBondContact O-N 3.09Å; Q183-D186 PolarHBondContact O-N 2.87Å; D186-V188 PolarHBondContact O-N 3.3Å; D186-K189 PolarHBondContact O-N 3.16Å; D186-L190 WeakPolarHBondContact O-CG 3.4Å; D186-L190 PolarHBondContact O-N 3.44Å
187V70.4Confident68.2Low91 Ų91125 Ų12555%0.55260%0.603SS**Hα-helixtrans-62.5-41.5173.4173.10000111.6Q183 Q184 L190 T191Q183-V187 VanDerWaalsContact O-CG2 3.28Å; Q183-V187 WeakPolarHBondContact O-CG2 3.49Å; Q183-V187 PolarHBondContact O-N 3.45Å; Q183-V187 VanDerWaalsContact O-N 3.08Å; Q184-V187 PolarHBondContact O-N 3.11Å; V187-L190 PolarHBondContact O-N 3.06Å; V187-T191 PolarHBondContact O-N 3.2Å; V187-T191 PolarHBondContact O-OG1 2.91Å
188V63.8Low66.5Low78 Ų78132.9 Ų132.947%0.47363%0.629SS.*Hα-helixtrans-66.4-36.1177.2174.10000111.8Q184 D186 T191 R192Q184-V188 VanDerWaalsContact O-CG2 3.31Å; Q184-V188 WeakPolarHBondContact O-CG2 3.14Å; Q184-V188 PolarHBondContact O-N 3.04Å; Q184-V188 VanDerWaalsContact O-N 3.14Å; D186-V188 PolarHBondContact O-N 3.3Å; V188-T191 WeakPolarHBondContact CA-OG1 3.22Å; V188-T191 PolarHBondContact O-OG1 3.23Å; V188-R192 WeakPolarHBondContact O-CB 3.43Å; V188-R192 PolarHBondContact O-N 3.17Å; V188-R192 VanDerWaalsContact O-N 3.09Å
189K62.7Low65.1Low137 Ų137136.5 Ų136.560%0.59665%0.645SS**Hα-helixtrans-67.6-42.8175.3-76.1176.2-177.4172.50112.5N185 D186 R192 N193N185-K189 WeakPolarHBondContact O-CG 3.32Å; N185-K189 PolarHBondContact O-N 2.96Å; N185-K189 VanDerWaalsContact O-N 3.13Å; D186-K189 PolarHBondContact O-N 3.16Å; K189-R192 PolarHBondContact O-N 3.46Å; K189-N193 PolarHBondContact O-N 2.62Å; K189-N193 VanDerWaalsContact O-N 3.14Å
190L60.1Low63.3Low128 Ų128138 Ų13867%0.6767%0.665SS**Hα-helixtrans-64.3-42.9177.3-75.1163.1000112.2D186 V187 N193 S194D186-L190 WeakPolarHBondContact O-CG 3.4Å; D186-L190 PolarHBondContact O-N 3.44Å; V187-L190 PolarHBondContact O-N 3.06Å; L190-N193 PolarHBondContact O-N 3.43Å; L190-S194 PolarHBondContact O-N 2.86Å; L190-S194 VanDerWaalsContact O-N 3.07Å
191T60.2Low61.6Low76 Ų76141.6 Ų141.647%0.46670%0.701SS.*Hα-helixtrans-67.5-37.4177.536.70000112.8V187 V188 S194 K195V187-T191 PolarHBondContact O-N 3.2Å; V187-T191 PolarHBondContact O-OG1 2.91Å; V188-T191 WeakPolarHBondContact CA-OG1 3.22Å; V188-T191 PolarHBondContact O-OG1 3.23Å; T191-S194 PolarHBondContact O-N 2.83Å; T191-S194 PolarHBondContact O-OG 2.64Å; T191-K195 PolarHBondContact O-N 3.32Å
192R57.5Low60.7Low201 Ų201142.6 Ų142.676%0.75871%0.708SS**Hα-helixtrans-61.7-39.7172.4-99.9-179.9159.1177.3-4.6112.9V188 K189V188-R192 WeakPolarHBondContact O-CB 3.43Å; V188-R192 PolarHBondContact O-N 3.17Å; V188-R192 VanDerWaalsContact O-N 3.09Å; K189-R192 PolarHBondContact O-N 3.46Å
193N55.2Low59.9Low123 Ų123143.5 Ų143.566%0.65871%0.714SS**Hα-helixtrans-72.7-29.3177.3-89-9.3000113.3K189 L190 K195 R196K189-N193 PolarHBondContact O-N 2.62Å; K189-N193 VanDerWaalsContact O-N 3.14Å; L190-N193 PolarHBondContact O-N 3.43Å; N193-K195 VanDerWaalsContact C-N 3.35Å; N193-K195 PolarHBondContact O-N 2.93Å; N193-R196 PolarHBondContact O-N 2.82Å
194S56.1Low59.2Low85 Ų85144.1 Ų144.159%0.59472%0.719SS**Hα-helixtrans-70.1-27.8177.483.20000113.8L190 T191 R196L190-S194 PolarHBondContact O-N 2.86Å; L190-S194 VanDerWaalsContact O-N 3.07Å; T191-S194 PolarHBondContact O-N 2.83Å; T191-S194 PolarHBondContact O-OG 2.64Å; S194-R196 PolarHBondContact O-N 3.2Å
195K54.5Low58.5Low187 Ų187144.4 Ų144.481%0.81372%0.723SS**THydrogen-bonded Turntrans-75.1-5.6179-73.9-173.3177.6179.80114.1T191 N193T191-K195 PolarHBondContact O-N 3.32Å; N193-K195 VanDerWaalsContact C-N 3.35Å; N193-K195 PolarHBondContact O-N 2.93Å
196R53.9Low57.8Low224 Ų224147 Ų14785%0.84574%0.735SS**THydrogen-bonded Turntrans-95.81.8-178.4-111.9179.1169.3178.3-3.8115.3N193 S194N193-R196 PolarHBondContact O-N 2.82Å; S194-R196 PolarHBondContact O-N 3.2Å
197K53.5Low57.1Low193 Ų193150.8 Ų150.884%0.83975%0.751SS**  trans-120.768.8175.3-76.8-171.6175.9-178.20112.6
198K55Low56.1Low206 Ų206155.1 Ų155.190%0.89677%0.766SS**  trans-14578.8154.4-81.1-162.8178.9-179.20110.2
199K59.7Low55.5Low203 Ų203161 Ų16188%0.88379%0.788SS**  trans-167.5108.9150.8-108.9-178.2-178.5-176.20107.1
200C48.4Very low54.9Low127 Ų127163 Ų16386%0.85880%0.804SS**  -178.7130.8129.8-97.30000110.5
201C45Very low54.5Low203 Ų203166.2 Ų166.2100%1.37282%0.817SS**  trans59.60164.5-58.70000117.7

Retrieved 201 of 201 residues in 202.7 ms (Link to these results)

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