A0A024R0C8_HUMAN Loading...

Epididymis secretory sperm binding protein

AlphaFold DB (Q62159), UniProt , Accession A0A024R0C8, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 193 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
1M48.4Very low87.5Confident242 Ų24260.4 Ų60.4100%1.19233%0.331SS*.  0144.20-85-179-147.400107.8A3M1-A3 PolarHBondContact O-N 3.35Å
2A58.3Low88.4Confident101 Ų10155.3 Ų55.384%0.83530%0.303SS*.PPolyproline II helixtrans-63.5127171.400000108.6
3A76.1Confident89.2Confident62 Ų6252.6 Ų52.651%0.51229%0.288SS..PPolyproline II helixtrans-58139.4173.100000109M1 R5M1-A3 PolarHBondContact O-N 3.35Å; A3-R5 PolarHBondContact O-N 2.84Å; A3-R5 VanDerWaalsContact O-N 3.14Å
4I93.4Very high89.7Confident70 Ų7051.4 Ų51.436%0.35929%0.293SS..EExtended strand (participates in β ladder)trans-65.8117.8171.9-63.4169.7000105.9K6 K51 V53 E54 L179I4-K6 HydrophobicContact CG2-CG 4.36Å; I4-K51 HydrophobicContact CD1-CB 4.22Å; I4-K51 HydrophobicContact CD1-CD 4.24Å; I4-K51 HydrophobicContact CD1-CG 4.4Å; I4-V53 HydrophobicContact CB-CG2 4.31Å; I4-V53 HydrophobicContact CG2-CG2 4.32Å; I4-V53 CarbonylContact O-C 3.53Å; I4-V53 VanDerWaalsContact O-CA 3.24Å; I4-V53 WeakPolarHBondContact O-CA 3.49Å; I4-V53 WeakPolarHBondContact O-CG1 3.38Å; I4-E54 PolarHBondContact O-N 3.41Å; I4-L179 HydrophobicContact CD1-CD2 4.49Å; I4-L179 HydrophobicContact CG2-CD2 3.67Å
5R95.8Very high90.1Very high144 Ų14451.4 Ų51.454%0.54330%0.302SS..EExtended strand (participates in β ladder)trans-103.3134.6178-170.5177177.3141.1-8110.6A3 E54A3-R5 PolarHBondContact O-N 2.84Å; A3-R5 VanDerWaalsContact O-N 3.14Å; R5-E54 WeakPolarHBondContact CA-O 3.49Å; R5-E54 WeakPolarHBondContact CD-OE1 3.15Å; R5-E54 HydrophobicContact CG-CB 4.44Å; R5-E54 IonicContact CZ-OE1 2.7Å; R5-E54 IonicContact NE-OE1 2.79Å; R5-E54 PolarHBondContact NE-OE1 2.95Å; R5-E54 IonicContact NH1-OE1 3.66Å; R5-E54 PolarHBondContact NH1-OE1 3.47Å
6K97Very high90.6Very high20 Ų2048.3 Ų48.39%0.08728%0.284CS..EExtended strand (participates in β ladder)trans-131.4135.2177.9-70.6-70.2169.2174.90110.9I4 V53 E54 L55 A56 D78 G178 L179I4-K6 HydrophobicContact CG2-CG 4.36Å; K6-V53 HydrophobicContact CB-CG1 4Å; K6-V53 HydrophobicContact CG-CG1 3.89Å; K6-E54 PolarHBondContact N-O 3.47Å; K6-L55 HydrophobicContact CB-CD2 3.97Å; K6-L55 WeakPolarHBondContact O-CA 3.42Å; K6-A56 PolarHBondContact O-N 3.14Å; K6-D78 HydrophobicContact CB-CB 4.34Å; K6-D78 HydrophobicContact CD-CB 3.59Å; K6-D78 VanDerWaalsContact CD-CG 3.4Å; K6-D78 WeakPolarHBondContact CD-OD1 3.38Å; K6-D78 IonicContact NZ-OD1 3.7Å; K6-D78 PolarHBondContact NZ-OD1 3.22Å; K6-G178 VanDerWaalsContact CE-O 3.23Å; K6-G178 WeakPolarHBondContact CE-O 3.49Å; K6-G178 PolarHBondContact NZ-O 2.98Å; K6-L179 HydrophobicContact CG-CD2 4.47Å
7K97.9Very high91.1Very high25 Ų2546.4 Ų46.411%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-94.4123.4175.5177.5172.5170.3173.60110.1V9 A56 W58 S73 P75 D78 V79K7-V9 HydrophobicContact CG-CG2 4.44Å; K7-A56 WeakPolarHBondContact CA-O 3.39Å; K7-W58 HydrophobicContact CD-CD2 4.43Å; K7-W58 HydrophobicContact CD-CZ2 4.48Å; K7-W58 VanDerWaalsContact CE-CD2 3.46Å; K7-W58 VanDerWaalsContact CE-CE2 3.44Å; K7-W58 HydrophobicContact CG-CG 4.43Å; K7-S73 WeakPolarHBondContact CE-O 3.24Å; K7-S73 PolarHBondContact NZ-O 3.21Å; K7-P75 WeakPolarHBondContact CE-O 3.47Å; K7-P75 PolarHBondContact NZ-O 2.92Å; K7-D78 PolarHBondContact N-OD2 3.39Å; K7-D78 WeakPolarHBondContact O-CA 3.45Å; K7-D78 WeakPolarHBondContact O-CB 3.23Å; K7-D78 PolarHBondContact O-N 2.98Å; K7-V79 PolarHBondContact O-N 2.66Å
8L98.7Very high91.5Very high0 Ų044.4 Ų44.40%026%0.264CS..EExtended strand (participates in β ladder)trans-112.9127.4174.1179.6159000108.2I10 L22 A56 L57 W58 V79 L81 F171 A174L8-I10 HydrophobicContact CD2-CB 4.42Å; L8-L22 HydrophobicContact CD2-CD2 4.43Å; L8-A56 PolarHBondContact N-O 2.96Å; L8-L57 HydrophobicContact CB-CD2 4.05Å; L8-L57 HydrophobicContact CD1-CD2 4.12Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.33Å; L8-W58 PolarHBondContact O-N 3.47Å; L8-V79 WeakPolarHBondContact CA-O 3.18Å; L8-V79 HydrophobicContact CB-CG1 3.84Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.91Å; L8-L81 HydrophobicContact CD1-CD1 3.96Å; L8-L81 HydrophobicContact CD1-CG 3.89Å; L8-L81 HydrophobicContact CD2-CB 4.37Å; L8-L81 HydrophobicContact CD2-CD1 3.93Å; L8-L81 HydrophobicContact CD2-CG 3.89Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.07Å; L8-F171 HydrophobicContact CD1-CD1 3.99Å; L8-F171 HydrophobicContact CD1-CE1 4.1Å; L8-A174 HydrophobicContact CD1-CB 3.88Å
9V98.8Very high91.9Very high0 Ų043.5 Ų43.50%026%0.259CS..EExtended strand (participates in β ladder)trans-111.1132.3171179.50000108.3K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81K7-V9 HydrophobicContact CG-CG2 4.44Å; V9-V11 HydrophobicContact CG1-CG1 4.12Å; V9-W58 HydrophobicContact CB-CB 4.32Å; V9-W58 HydrophobicContact CG1-CB 4.43Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.2Å; V9-T60 HydrophobicContact CG1-CG2 3.82Å; V9-S73 WeakPolarHBondContact CG2-O 3.35Å; V9-Y74 HydrophobicContact CG1-CD1 4Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V9-T77 HydrophobicContact CB-CG2 4.05Å; V9-T77 HydrophobicContact CG2-CG2 3.74Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.19Å; V9-V79 PolarHBondContact N-O 3.34Å; V9-V79 VanDerWaalsContact N-O 3.16Å; V9-I80 HydrophobicContact CB-CD1 4Å; V9-I80 WeakPolarHBondContact O-CA 3.4Å; V9-L81 PolarHBondContact O-N 2.79Å
10I98.9Very high92.2Very high0 Ų042.8 Ų42.80%026%0.256CS..EExtended strand (participates in β ladder)trans-103.7135.3175.7-167.8164.6000109.8L8 K18 L21 L22 W58 D59 T60 L81 C83L8-I10 HydrophobicContact CD2-CB 4.42Å; I10-K18 HydrophobicContact CD1-CB 3.75Å; I10-K18 HydrophobicContact CD1-CG 4.08Å; I10-K18 HydrophobicContact CG1-CB 3.95Å; I10-K18 HydrophobicContact CG1-CD 4.05Å; I10-K18 HydrophobicContact CG1-CG 3.89Å; I10-K18 HydrophobicContact CG2-CB 4.17Å; I10-K18 HydrophobicContact CG2-CD 4.46Å; I10-L21 HydrophobicContact CD1-CD2 4.13Å; I10-L22 HydrophobicContact CD1-CD2 4.31Å; I10-L22 HydrophobicContact CD1-CG 4.26Å; I10-L22 HydrophobicContact CG2-CD1 3.62Å; I10-L22 HydrophobicContact CG2-CD2 4.42Å; I10-L22 HydrophobicContact CG2-CG 4.18Å; I10-W58 WeakPolarHBondContact CG2-O 3.17Å; I10-W58 PolarHBondContact N-O 3.31Å; I10-W58 VanDerWaalsContact N-O 3.08Å; I10-D59 HydrophobicContact CG2-CB 4.49Å; I10-T60 WeakPolarHBondContact O-CG2 3.5Å; I10-T60 PolarHBondContact O-OG1 2.84Å; I10-L81 CarbonylContact C-O 3.43Å; I10-L81 VanDerWaalsContact CA-O 3.29Å; I10-L81 WeakPolarHBondContact CA-O 3.37Å; I10-L81 HydrophobicContact CB-CB 4.13Å; I10-L81 HydrophobicContact CD1-CB 4.22Å; I10-L81 HydrophobicContact CD1-CD1 4.21Å; I10-L81 HydrophobicContact CG1-CB 3.81Å; I10-C83 VanDerWaalsContact CD1-SG 3.58Å
11V98.8Very high92.5Very high0 Ų040.7 Ų40.70%024%0.243CC..EExtended strand (participates in β ladder)trans-138.5166.9-179.5-57.40000110.3V9 K18 Y74 I80 L81 M82 C83 W99 V103V9-V11 HydrophobicContact CG1-CG1 4.12Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; V11-Y74 HydrophobicContact CG1-CE1 3.76Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.46Å; V11-I80 HydrophobicContact CG2-CG2 4Å; V11-L81 PolarHBondContact N-O 2.69Å; V11-M82 HydrophobicContact CG2-CB 4.21Å; V11-M82 HydrophobicContact CG2-CE 4.49Å; V11-M82 HydrophobicContact CG2-CG 4.04Å; V11-C83 PolarHBondContact O-N 2.55Å; V11-W99 HydrophobicContact CB-CE3 3.87Å; V11-W99 HydrophobicContact CB-CZ3 4.1Å; V11-W99 HydrophobicContact CG2-CE3 4.23Å; V11-V103 HydrophobicContact CG2-CG2 3.86Å
12G98.8Very high94.9Very high0 Ų029.2 Ų29.20%019%0.187CC..EExtended strand (participates in β ladder)trans135168.2-173.300000111.6K18 G62 C83 W99G12-K18 PolarHBondContact O-NZ 2.9Å; G12-G62 VanDerWaalsContact O-CA 3.22Å; G12-G62 WeakPolarHBondContact O-CA 3.41Å; G12-C83 VanDerWaalsContact CA-O 3.28Å; G12-C83 WeakPolarHBondContact CA-O 3.5Å; G12-W99 WeakPolarHBondContact O-CH2 3.35Å; G12-W99 WeakPolarHBondContact O-CZ2 3.47Å
13D98.4Very high96.7Very high20 Ų2025.5 Ų25.511%0.10715%0.153CC..SBendtrans-55.3160.1-173.9-78.4-0.9000114.7C16 K18 S91 N94 W99D13-C16 HydrophobicContact CB-CB 4.45Å; D13-C16 PolarHBondContact O-N 2.85Å; D13-C16 PolarHBondContact O-SG 2.91Å; D13-K18 PolarHBondContact O-NZ 2.7Å; D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.33Å; D13-S91 WeakPolarHBondContact OD2-CB 3.46Å; D13-N94 PolarHBondContact OD2-ND2 3Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.22Å; D13-W99 PolarHBondContact OD1-NE1 2.94Å
14G96.2Very high97.8Very high35 Ų3522.7 Ų22.736%0.36113%0.129SC..THydrogen-bonded Turntrans-52.9143.5167.100000110.7C16 G62G14-C16 PolarHBondContact O-N 2.8Å; G14-G62 PolarHBondContact N-O 3.1Å
15A96.2Very high98Very high52 Ų5221.3 Ų21.343%0.4312%0.121SC..THydrogen-bonded Turntrans57.111.6178.100000117G17 Y34 K118A15-G17 PolarHBondContact O-N 2.88Å; A15-Y34 HydrophobicContact CB-CE1 4.46Å; A15-Y34 HydrophobicContact CB-CE2 4.37Å; A15-Y34 PolarHBondContact N-OH 3.25Å; A15-K118 VanDerWaalsContact O-CE 3.27Å; A15-K118 WeakPolarHBondContact O-CE 3.18Å; A15-K118 PolarHBondContact O-NZ 3.26Å
16C98.1Very high98Very high2 Ų216 Ų161%0.01411%0.106CC..SBendtrans-76.60.8177.379.10000114.3D13 G14 K18 N117D13-C16 HydrophobicContact CB-CB 4.45Å; D13-C16 PolarHBondContact O-N 2.85Å; D13-C16 PolarHBondContact O-SG 2.91Å; G14-C16 PolarHBondContact O-N 2.8Å; C16-K18 VanDerWaalsContact SG-CG 3.58Å; C16-N117 WeakPolarHBondContact O-CB 3.33Å; C16-N117 PolarHBondContact O-ND2 3.13Å
17G98.3Very high97.9Very high15 Ų1521.1 Ų21.116%0.15513%0.128CC..SBendtrans97.211.117300000116.7A15 T19 C20 L21A15-G17 PolarHBondContact O-N 2.88Å; G17-T19 PolarHBondContact O-N 2.9Å; G17-C20 PolarHBondContact O-N 2.75Å; G17-L21 WeakPolarHBondContact O-CB 3.23Å; G17-L21 PolarHBondContact O-N 3.19Å
18K98.6Very high97.8Very high11 Ų1125 Ų255%0.04815%0.15CC..Hα-helixtrans-50.7-56.5178.7-58.4-173.7-61.3-73.20113.1I10 V11 G12 D13 C16 C20 L21 L22 T60 C83I10-K18 HydrophobicContact CD1-CB 3.75Å; I10-K18 HydrophobicContact CD1-CG 4.08Å; I10-K18 HydrophobicContact CG1-CB 3.95Å; I10-K18 HydrophobicContact CG1-CD 4.05Å; I10-K18 HydrophobicContact CG1-CG 3.89Å; I10-K18 HydrophobicContact CG2-CB 4.17Å; I10-K18 HydrophobicContact CG2-CD 4.46Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; G12-K18 PolarHBondContact O-NZ 2.9Å; D13-K18 PolarHBondContact O-NZ 2.7Å; C16-K18 VanDerWaalsContact SG-CG 3.58Å; K18-C20 PolarHBondContact O-N 3.3Å; K18-L21 WeakPolarHBondContact O-CB 3.47Å; K18-L21 PolarHBondContact O-N 3.18Å; K18-L22 PolarHBondContact O-N 2.92Å; K18-T60 WeakPolarHBondContact CE-O 3.41Å; K18-C83 HydrophobicContact CG-CB 4.1Å
19T98.3Very high97.6Very high28 Ų2831.4 Ų31.417%0.17218%0.18CC..Hα-helixtrans-62.8-43.3-177.4-52.10000111.9G17 L21 L22 I23 T37 D59G17-T19 PolarHBondContact O-N 2.9Å; T19-L21 VanDerWaalsContact C-N 3.32Å; T19-L21 PolarHBondContact O-N 2.89Å; T19-L22 PolarHBondContact O-N 2.88Å; T19-I23 HydrophobicContact CG2-CD1 3.69Å; T19-I23 HydrophobicContact CG2-CG1 4.3Å; T19-I23 WeakPolarHBondContact O-CB 3.44Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.18Å; T19-I23 PolarHBondContact O-N 2.82Å; T19-T37 PolarHBondContact OG1-OG1 2.89Å; T19-D59 WeakPolarHBondContact CA-OD2 3.47Å; T19-D59 WeakPolarHBondContact CB-OD2 3.36Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.37Å; T19-D59 PolarHBondContact OG1-OD2 3.39Å
20C98.3Very high97.4Very high28 Ų2835 Ų3519%0.18920%0.196CC..Hα-helixtrans-59.8-42.8175.9-54.50000111.7G17 K18 I23 V24 F30 P31 A161G17-C20 PolarHBondContact O-N 2.75Å; K18-C20 PolarHBondContact O-N 3.3Å; C20-I23 PolarHBondContact O-N 3.3Å; C20-V24 WeakPolarHBondContact O-CB 3.4Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.41Å; C20-V24 PolarHBondContact O-N 2.93Å; C20-F30 HydrophobicContact CB-CD2 4.34Å; C20-F30 HydrophobicContact CB-CE2 3.84Å; C20-P31 HydrophobicContact CB-CG 4.29Å; C20-A161 HydrophobicContact CB-CB 3.93Å
21L98.8Very high97.1Very high0 Ų036.7 Ų36.70%021%0.207CC..Hα-helixtrans-60.8-47.5177.5176.760.4000111.6I10 G17 K18 T19 F25 L81 V115 V167 V170 F171I10-L21 HydrophobicContact CD1-CD2 4.13Å; G17-L21 WeakPolarHBondContact O-CB 3.23Å; G17-L21 PolarHBondContact O-N 3.19Å; K18-L21 WeakPolarHBondContact O-CB 3.47Å; K18-L21 PolarHBondContact O-N 3.18Å; T19-L21 VanDerWaalsContact C-N 3.32Å; T19-L21 PolarHBondContact O-N 2.89Å; L21-F25 WeakPolarHBondContact O-CB 3.48Å; L21-F25 PolarHBondContact O-N 3.07Å; L21-F25 VanDerWaalsContact O-N 3.08Å; L21-L81 HydrophobicContact CD2-CD1 4.38Å; L21-V115 HydrophobicContact CD2-CG1 4.22Å; L21-V167 HydrophobicContact CD1-CB 4.31Å; L21-V167 HydrophobicContact CD1-CG1 3.93Å; L21-V167 HydrophobicContact CD1-CG2 3.98Å; L21-V170 HydrophobicContact CD2-CG1 4.34Å; L21-F171 HydrophobicContact CD1-CE2 3.86Å; L21-F171 HydrophobicContact CD1-CZ 4.46Å; L21-F171 HydrophobicContact CG-CE2 3.94Å; L21-F171 HydrophobicContact CG-CZ 4.03Å
22L98.6Very high96.6Very high0 Ų045.8 Ų45.80%025%0.249CC..Hα-helixtrans-64.4-44.1178.5-67.2-177.1000112.5L8 I10 K18 T19 F25 S26 Y42 L57 D59 F171L8-L22 HydrophobicContact CD2-CD2 4.43Å; I10-L22 HydrophobicContact CD1-CD2 4.31Å; I10-L22 HydrophobicContact CD1-CG 4.26Å; I10-L22 HydrophobicContact CG2-CD1 3.62Å; I10-L22 HydrophobicContact CG2-CD2 4.42Å; I10-L22 HydrophobicContact CG2-CG 4.18Å; K18-L22 PolarHBondContact O-N 2.92Å; T19-L22 PolarHBondContact O-N 2.88Å; L22-F25 PolarHBondContact O-N 3.48Å; L22-S26 WeakPolarHBondContact O-CB 2.85Å; L22-S26 PolarHBondContact O-N 3.39Å; L22-S26 PolarHBondContact O-OG 2.68Å; L22-Y42 HydrophobicContact CD1-CD2 4.31Å; L22-Y42 HydrophobicContact CD1-CE2 4.46Å; L22-L57 HydrophobicContact CD2-CB 4.08Å; L22-L57 HydrophobicContact CD2-CD1 4.16Å; L22-L57 HydrophobicContact CD2-CD2 4.37Å; L22-L57 HydrophobicContact CD2-CG 4.44Å; L22-D59 HydrophobicContact CD1-CB 3.44Å; L22-D59 VanDerWaalsContact CD1-CB 3.44Å; L22-F171 HydrophobicContact CD2-CE1 3.94Å; L22-F171 HydrophobicContact CD2-CZ 3.89Å
23I97Very high96.2Very high23 Ų2351.3 Ų51.312%0.11828%0.282CS..Hα-helixtrans-66.5-44.9-179.4-67.8175.1000110.4T19 C20 F25 S26 K27 Q29 P31 Y42T19-I23 HydrophobicContact CG2-CD1 3.69Å; T19-I23 HydrophobicContact CG2-CG1 4.3Å; T19-I23 WeakPolarHBondContact O-CB 3.44Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.18Å; T19-I23 PolarHBondContact O-N 2.82Å; C20-I23 PolarHBondContact O-N 3.3Å; I23-F25 VanDerWaalsContact C-N 3.31Å; I23-F25 PolarHBondContact O-N 3.46Å; I23-S26 PolarHBondContact O-N 3Å; I23-K27 HydrophobicContact CG2-CB 4.39Å; I23-K27 HydrophobicContact CG2-CD 4.32Å; I23-K27 WeakPolarHBondContact O-CA 3.38Å; I23-K27 WeakPolarHBondContact O-CB 3.42Å; I23-K27 PolarHBondContact O-N 2.87Å; I23-Q29 WeakPolarHBondContact CG2-O 3.38Å; I23-P31 HydrophobicContact CD1-CB 4.48Å; I23-P31 HydrophobicContact CD1-CG 4.19Å; I23-Y42 HydrophobicContact CG1-CE1 4Å
24V98.3Very high95.5Very high4 Ų456.8 Ų56.82%0.02430%0.303CS..Hα-helixtrans-62.9-40.8178.6170.20000110.9C20 D28 Q29 F30 A161 K164 V167C20-V24 WeakPolarHBondContact O-CB 3.4Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.41Å; C20-V24 PolarHBondContact O-N 2.93Å; V24-D28 WeakPolarHBondContact O-CA 3.35Å; V24-D28 PolarHBondContact O-N 3.43Å; V24-Q29 WeakPolarHBondContact CG2-O 3.24Å; V24-F30 HydrophobicContact CG2-CB 4.01Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; V24-F30 HydrophobicContact CG2-CG 4.48Å; V24-A161 HydrophobicContact CB-CB 4.36Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; V24-A161 WeakPolarHBondContact CG2-O 3.28Å; V24-K164 HydrophobicContact CG1-CG 3.96Å; V24-V167 HydrophobicContact CG1-CG1 4.28Å; V24-V167 HydrophobicContact CG1-CG2 4.23Å
25F98.3Very high95.1Very high40 Ų4060 Ų6018%0.17532%0.315CS..Hα-helixtrans-65.5-45.5175.7173-114.4000113L21 L22 I23 A44 I46 L55 L57 V167 F171L21-F25 WeakPolarHBondContact O-CB 3.48Å; L21-F25 PolarHBondContact O-N 3.07Å; L21-F25 VanDerWaalsContact O-N 3.08Å; L22-F25 PolarHBondContact O-N 3.48Å; I23-F25 VanDerWaalsContact C-N 3.31Å; I23-F25 PolarHBondContact O-N 3.46Å; F25-A44 HydrophobicContact CD1-CB 4.01Å; F25-A44 HydrophobicContact CE1-CB 3.48Å; F25-A44 VanDerWaalsContact CE1-CB 3.48Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; F25-I46 HydrophobicContact CE2-CD1 4.06Å; F25-I46 HydrophobicContact CZ-CB 4.19Å; F25-I46 HydrophobicContact CZ-CD1 4.02Å; F25-I46 HydrophobicContact CZ-CG1 4.49Å; F25-L55 HydrophobicContact CE1-CD1 3.9Å; F25-L55 HydrophobicContact CZ-CD1 4.05Å; F25-L57 HydrophobicContact CD1-CD1 3.88Å; F25-L57 HydrophobicContact CE1-CD1 4.15Å; F25-V167 HydrophobicContact CB-CG1 3.86Å; F25-F171 HydrophobicContact CB-CD2 3.65Å; F25-F171 HydrophobicContact CB-CE1 4.46Å; F25-F171 HydrophobicContact CB-CE2 3.26Å; F25-F171 HydrophobicContact CB-CG 4.43Å; F25-F171 HydrophobicContact CB-CZ 3.72Å; F25-F171 HydrophobicContact CD1-CB 4.45Å; F25-F171 AromaticContact CD1-CD1 3.55Å; F25-F171 HydrophobicContact CD1-CD1 3.55Å; F25-F171 AromaticContact CD1-CD2 3.72Å; F25-F171 HydrophobicContact CD1-CD2 3.72Å; F25-F171 AromaticContact CD1-CE1 3.59Å; F25-F171 HydrophobicContact CD1-CE1 3.59Å; F25-F171 AromaticContact CD1-CE2 3.8Å; F25-F171 HydrophobicContact CD1-CE2 3.8Å; F25-F171 AromaticContact CD1-CG 3.62Å; F25-F171 HydrophobicContact CD1-CG 3.62Å; F25-F171 AromaticContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD2-CB 4.01Å; F25-F171 HydrophobicContact CD2-CD1 4.47Å; F25-F171 AromaticContact CD2-CD2 3.37Å; F25-F171 HydrophobicContact CD2-CD2 3.37Å; F25-F171 AromaticContact CD2-CE2 3.97Å; F25-F171 HydrophobicContact CD2-CE2 3.97Å; F25-F171 AromaticContact CD2-CG 3.69Å; F25-F171 HydrophobicContact CD2-CG 3.69Å; F25-F171 HydrophobicContact CE1-CB 4.07Å; F25-F171 AromaticContact CE1-CD1 3.55Å; F25-F171 HydrophobicContact CE1-CD1 3.55Å; F25-F171 HydrophobicContact CE1-CD2 4.19Å; F25-F171 HydrophobicContact CE1-CE1 4.03Å; F25-F171 AromaticContact CE1-CG 3.65Å; F25-F171 HydrophobicContact CE1-CG 3.65Å; F25-F171 HydrophobicContact CE2-CB 3.6Å; F25-F171 HydrophobicContact CE2-CD1 4.48Å; F25-F171 AromaticContact CE2-CD2 3.9Å; F25-F171 HydrophobicContact CE2-CD2 3.9Å; F25-F171 AromaticContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CG-CB 4.42Å; F25-F171 HydrophobicContact CG-CD1 4.03Å; F25-F171 AromaticContact CG-CD2 3.27Å; F25-F171 HydrophobicContact CG-CD2 3.27Å; F25-F171 HydrophobicContact CG-CE1 4.1Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.63Å; F25-F171 HydrophobicContact CG-CG 3.63Å; F25-F171 AromaticContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CZ-CB 3.64Å; F25-F171 HydrophobicContact CZ-CD1 4.05Å; F25-F171 HydrophobicContact CZ-CD2 4.28Å; F25-F171 AromaticContact CZ-CG 3.72Å; F25-F171 HydrophobicContact CZ-CG 3.72Å
26S96.1Very high94.9Very high34 Ų3460.4 Ų60.424%0.23831%0.313CS..Hα-helixtrans-83.7-26.6-17358.20000114.6L22 I23L22-S26 WeakPolarHBondContact O-CB 2.85Å; L22-S26 PolarHBondContact O-N 3.39Å; L22-S26 PolarHBondContact O-OG 2.68Å; I23-S26 PolarHBondContact O-N 3Å
27K95.1Very high94.6Very high126 Ų12661.1 Ų61.155%0.54832%0.317SS..Hα-helixtrans-127.1-1.5-172.2-57.1-174.8-174.3173.70113.9I23 Q29I23-K27 HydrophobicContact CG2-CB 4.39Å; I23-K27 HydrophobicContact CG2-CD 4.32Å; I23-K27 WeakPolarHBondContact O-CA 3.38Å; I23-K27 WeakPolarHBondContact O-CB 3.42Å; I23-K27 PolarHBondContact O-N 2.87Å; K27-Q29 PolarHBondContact O-N 2.75Å
28D94.8Very high94.2Very high107 Ų10764.1 Ų64.157%0.57233%0.333SS*.SBendtrans55.922.6-179.3-16143.7000114.8V24 K164V24-D28 WeakPolarHBondContact O-CA 3.35Å; V24-D28 PolarHBondContact O-N 3.43Å; D28-K164 WeakPolarHBondContact O-CE 3.17Å; D28-K164 PolarHBondContact O-NZ 3.38Å; D28-K164 WeakPolarHBondContact OD1-CE 3.44Å; D28-K164 IonicContact OD1-NZ 3.71Å; D28-K164 PolarHBondContact OD1-NZ 2.95Å; D28-K164 IonicContact OD2-NZ 3.11Å; D28-K164 PolarHBondContact OD2-NZ 3.25Å
29Q94.4Very high93.9Very high134 Ų13467.4 Ų67.463%0.62635%0.347SS*.  trans-127.7132.4-177.7-173.5177.539.300110.8I23 V24 K27I23-Q29 WeakPolarHBondContact CG2-O 3.38Å; V24-Q29 WeakPolarHBondContact CG2-O 3.24Å; K27-Q29 PolarHBondContact O-N 2.75Å
30F94.8Very high93.7Very high77 Ų7770.2 Ų70.234%0.33836%0.358SS..  trans-85.7126.7172.4-175.3-97000110.2C20 V24 A161 K162C20-F30 HydrophobicContact CB-CD2 4.34Å; C20-F30 HydrophobicContact CB-CE2 3.84Å; V24-F30 HydrophobicContact CG2-CB 4.01Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; V24-F30 HydrophobicContact CG2-CG 4.48Å; F30-A161 HydrophobicContact CD2-CB 4.01Å; F30-A161 HydrophobicContact CE2-CB 4Å; F30-K162 HydrophobicContact CD2-CB 4.23Å; F30-K162 HydrophobicContact CE2-CB 3.97Å; F30-K162 HydrophobicContact CZ-CB 4.2Å
31P93.1Very high93.6Very high35 Ų3573 Ų7323%0.22737%0.371CS..  trans-74.7127176.630.6-34.3000110.8C20 I23C20-P31 HydrophobicContact CB-CG 4.29Å; I23-P31 HydrophobicContact CD1-CB 4.48Å; I23-P31 HydrophobicContact CD1-CG 4.19Å
32E89.2Confident93.4Very high190 Ų19074 Ų7489%0.88838%0.375SS*.SBendtrans-83.1-19.9179.4-63.1-172169.100113.5
33V89Confident93.3Very high116 Ų11678.9 Ų78.970%0.70340%0.4SS*.SBendtrans-106.1126.7-179.7-177.80000109.5V35V33-V35 HydrophobicContact CG1-CG2 4.31Å
34Y83.7Confident93.2Very high136 Ų13678.3 Ų78.353%0.53340%0.399SS..  trans-86124.3173.2176.4-113.3000111.1A15 P36A15-Y34 HydrophobicContact CB-CE1 4.46Å; A15-Y34 HydrophobicContact CB-CE2 4.37Å; A15-Y34 PolarHBondContact N-OH 3.25Å; Y34-P36 HydrophobicContact CE1-CG 3.86Å
35V87.7Confident93.1Very high102 Ų10283.8 Ų83.862%0.61843%0.428SS*.  trans-126.4125.5169.4-179.10000107.4V33 T37V33-V35 HydrophobicContact CG1-CG2 4.31Å; V35-T37 PolarHBondContact O-N 2.87Å
36P91.7Very high93Very high61 Ų6182.4 Ų82.440%0.39642%0.423SS..  trans-61.7122.5175.7-21.631.6000111.7Y34Y34-P36 HydrophobicContact CE1-CG 3.86Å
37T91.9Very high93Very high16 Ų1685.6 Ų85.610%0.09843%0.434CS..  trans-74.7134.4-179.2-51.10000110.8T19 V35 E40 D59 A61T19-T37 PolarHBondContact OG1-OG1 2.89Å; V35-T37 PolarHBondContact O-N 2.87Å; T37-E40 HydrophobicContact CG2-CB 4.47Å; T37-E40 HydrophobicContact CG2-CG 4.14Å; T37-D59 HydrophobicContact CG2-CB 4.29Å; T37-A61 WeakPolarHBondContact O-CA 3.33Å; T37-A61 WeakPolarHBondContact O-CB 3.45Å
38V90.1Very high93Very high78 Ų7879.8 Ų79.847%0.47341%0.409SS..SBendtrans-85.4-62.4165.3176.50000108.9A61 Y66V38-A61 WeakPolarHBondContact O-CB 3.33Å; V38-A61 PolarHBondContact O-N 3.29Å; V38-A61 VanDerWaalsContact O-N 3.11Å; V38-Y66 HydrophobicContact CB-CE1 4.18Å; V38-Y66 HydrophobicContact CG1-CD1 3.9Å; V38-Y66 HydrophobicContact CG1-CE1 3.47Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.47Å; V38-Y66 HydrophobicContact CG2-CE1 3.94Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.26Å
39F92.3Very high92.9Very high80 Ų8079.7 Ų79.735%0.35141%0.408SS..EExtended strand (participates in β ladder)trans-166.2133.5177173.4-106.5000109.5N41 W58 D59 S73F39-N41 VanDerWaalsContact CE1-ND2 3.26Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.35Å; F39-N41 VanDerWaalsContact CZ-CG 3.49Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.4Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.46Å; F39-W58 HydrophobicContact CE1-CZ3 4.39Å; F39-W58 HydrophobicContact CE2-CB 4.31Å; F39-W58 HydrophobicContact CE2-CD2 4.08Å; F39-W58 AromaticContact CE2-CE3 3.35Å; F39-W58 HydrophobicContact CE2-CE3 3.35Å; F39-W58 AromaticContact CE2-CZ3 3.91Å; F39-W58 HydrophobicContact CE2-CZ3 3.91Å; F39-W58 AromaticContact CZ-CD2 3.94Å; F39-W58 HydrophobicContact CZ-CD2 3.94Å; F39-W58 AromaticContact CZ-CE3 3.24Å; F39-W58 HydrophobicContact CZ-CE3 3.24Å; F39-W58 HydrophobicContact CZ-CH2 4.25Å; F39-W58 AromaticContact CZ-CZ3 3.42Å; F39-W58 HydrophobicContact CZ-CZ3 3.42Å; F39-W58 VanDerWaalsContact CZ-CZ3 3.42Å; F39-D59 WeakPolarHBondContact CA-O 3.47Å; F39-D59 WeakPolarHBondContact CD2-O 3.43Å; F39-S73 WeakPolarHBondContact CE2-OG 3.09Å
40E95.1Very high92.8Very high88 Ų8876.2 Ų76.241%0.41141%0.409SS..EExtended strand (participates in β ladder)trans-143.4155.1175.2-67.8-171-168.100111.5T37 Y42 D59T37-E40 HydrophobicContact CG2-CB 4.47Å; T37-E40 HydrophobicContact CG2-CG 4.14Å; E40-Y42 HydrophobicContact CB-CE2 3.83Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.29Å; E40-Y42 PolarHBondContact OE2-OH 2.96Å; E40-D59 HydrophobicContact CB-CB 4.18Å; E40-D59 PolarHBondContact N-O 2.93Å; E40-D59 VanDerWaalsContact N-O 3.15Å; E40-D59 PolarHBondContact O-N 3.34Å
41N95Very high92.8Very high85 Ų8577.5 Ų77.546%0.45541%0.414SS..EExtended strand (participates in β ladder)trans-122.9136.2176.3-72.1-50.6000110.9F39 L57 W58F39-N41 VanDerWaalsContact CE1-ND2 3.26Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.35Å; F39-N41 VanDerWaalsContact CZ-CG 3.49Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.4Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.46Å; N41-L57 WeakPolarHBondContact CA-O 3.4Å; N41-W58 VanDerWaalsContact OD1-CD2 3.23Å
42Y95.5Very high92.9Very high22 Ų2281 Ų819%0.08643%0.427CS..EExtended strand (participates in β ladder)trans-125157.3173.4-54.2-99.5000109.9L22 I23 E40 L57 D59L22-Y42 HydrophobicContact CD1-CD2 4.31Å; L22-Y42 HydrophobicContact CD1-CE2 4.46Å; I23-Y42 HydrophobicContact CG1-CE1 4Å; E40-Y42 HydrophobicContact CB-CE2 3.83Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.29Å; E40-Y42 PolarHBondContact OE2-OH 2.96Å; Y42-L57 PolarHBondContact N-O 3.46Å; Y42-L57 PolarHBondContact O-N 2.92Å; Y42-D59 HydrophobicContact CE2-CB 4.23Å
43I95.6Very high93.3Very high102 Ų10272 Ų7252%0.52339%0.385SS..EExtended strand (participates in β ladder)trans-120.8134.3169.4-60.7176.5000106.9E54 L55I43-E54 HydrophobicContact CG2-CG 3.62Å; I43-L55 WeakPolarHBondContact CA-O 3.48Å
44A96.4Very high93.7Very high11 Ų1168.7 Ų68.79%0.09136%0.362CS..EExtended strand (participates in β ladder)trans-141.7138.8174.400000109.6F25 L55 L57F25-A44 HydrophobicContact CD1-CB 4.01Å; F25-A44 HydrophobicContact CE1-CB 3.48Å; F25-A44 VanDerWaalsContact CE1-CB 3.48Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; A44-L55 PolarHBondContact N-O 2.87Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 WeakPolarHBondContact O-CB 3.2Å; A44-L55 PolarHBondContact O-N 3.15Å; A44-L57 HydrophobicContact CB-CD1 3.98Å
45D95.6Very high94.3Very high120 Ų12062.2 Ų62.264%0.64234%0.337SS*.EExtended strand (participates in β ladder)trans-93.3138.8173.7-65.4-49.7000110.1
46I96.3Very high94.8Very high11 Ų1157.7 Ų57.76%0.05631%0.31CS..EExtended strand (participates in β ladder)trans-142.7140.7175.5-167.6174.8000110.6F25 V48 V53 L55 F171 E172 T175F25-I46 HydrophobicContact CE2-CD1 4.06Å; F25-I46 HydrophobicContact CZ-CB 4.19Å; F25-I46 HydrophobicContact CZ-CD1 4.02Å; F25-I46 HydrophobicContact CZ-CG1 4.49Å; I46-V48 HydrophobicContact CD1-CG2 3.92Å; I46-V48 HydrophobicContact CG1-CG2 3.93Å; I46-V48 HydrophobicContact CG2-CG2 4.31Å; I46-V53 HydrophobicContact CG2-CB 4.2Å; I46-V53 PolarHBondContact N-O 3.38Å; I46-V53 PolarHBondContact O-N 3.5Å; I46-L55 HydrophobicContact CG2-CD1 3.73Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; I46-F171 HydrophobicContact CD1-CB 3.99Å; I46-E172 HydrophobicContact CD1-CG 3.85Å; I46-T175 HydrophobicContact CG2-CG2 4.14Å
47E95.2Very high95.2Very high101 Ų10154.8 Ų54.847%0.47229%0.291SS..EExtended strand (participates in β ladder)trans-98.7122.2169.6-170.2179.6162.900110K51 Q52E47-K51 WeakPolarHBondContact CA-O 3.39Å; E47-Q52 VanDerWaalsContact CD-NE2 3.3Å; E47-Q52 PolarHBondContact OE2-NE2 3.06Å
48V95.1Very high95.5Very high4 Ų457.1 Ų57.12%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-132.5125.5177-179.20000109.6I46 G50 K51 E172 T175 R176I46-V48 HydrophobicContact CD1-CG2 3.92Å; I46-V48 HydrophobicContact CG1-CG2 3.93Å; I46-V48 HydrophobicContact CG2-CG2 4.31Å; V48-G50 PolarHBondContact O-N 2.85Å; V48-K51 PolarHBondContact N-O 2.78Å; V48-K51 WeakPolarHBondContact O-CB 3.34Å; V48-K51 PolarHBondContact O-N 3.47Å; V48-E172 HydrophobicContact CG2-CB 4.36Å; V48-E172 HydrophobicContact CG2-CG 4.16Å; V48-T175 HydrophobicContact CB-CG2 3.97Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V48-R176 HydrophobicContact CG1-CB 4.34Å
49D93.5Very high95.9Very high104 Ų10453.4 Ų53.456%0.55628%0.276SS*.THydrogen-bonded Turntrans51.641.8179-50.1-24.1000112.2K51 R176D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 PolarHBondContact O-N 3.08Å; D49-R176 IonicContact OD1-CZ 3.65Å; D49-R176 IonicContact OD1-NE 3.73Å; D49-R176 IonicContact OD1-NH2 2.75Å; D49-R176 PolarHBondContact OD1-NH2 3.24Å; D49-R176 IonicContact OD2-CZ 3.3Å; D49-R176 IonicContact OD2-NE 2.89Å; D49-R176 PolarHBondContact OD2-NE 2.97Å; D49-R176 IonicContact OD2-NH2 3.19Å
50G92.5Very high96.1Very high62 Ų6249.7 Ų49.764%0.63926%0.26SS*.THydrogen-bonded Turntrans74.68.7-178.900000115.4V48V48-G50 PolarHBondContact O-N 2.85Å
51K93.4Very high96.2Very high103 Ų10345.5 Ų45.545%0.44824%0.24SC..EExtended strand (participates in β ladder)trans-108.3124178.7-63.4172.9-176168.50110.3I4 E47 V48 D49 V53 L179I4-K51 HydrophobicContact CD1-CB 4.22Å; I4-K51 HydrophobicContact CD1-CD 4.24Å; I4-K51 HydrophobicContact CD1-CG 4.4Å; E47-K51 WeakPolarHBondContact CA-O 3.39Å; V48-K51 PolarHBondContact N-O 2.78Å; V48-K51 WeakPolarHBondContact O-CB 3.34Å; V48-K51 PolarHBondContact O-N 3.47Å; D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 PolarHBondContact O-N 3.08Å; K51-V53 HydrophobicContact CB-CG2 4.43Å; K51-L179 HydrophobicContact CD-CD1 4.16Å
52Q95.8Very high96.2Very high109 Ų10941.9 Ų41.951%0.50922%0.223SC..EExtended strand (participates in β ladder)trans-76121.5169.4-63.2-63.7-18.400109.8E47E47-Q52 VanDerWaalsContact CD-NE2 3.3Å; E47-Q52 PolarHBondContact OE2-NE2 3.06Å
53V97.3Very high96Very high1 Ų144 Ų441%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-125.3126.1-177.4-176.70000110.2I4 K6 I46 K51 L55 T175 L179I4-V53 HydrophobicContact CB-CG2 4.31Å; I4-V53 HydrophobicContact CG2-CG2 4.32Å; I4-V53 CarbonylContact O-C 3.53Å; I4-V53 VanDerWaalsContact O-CA 3.24Å; I4-V53 WeakPolarHBondContact O-CA 3.49Å; I4-V53 WeakPolarHBondContact O-CG1 3.38Å; K6-V53 HydrophobicContact CB-CG1 4Å; K6-V53 HydrophobicContact CG-CG1 3.89Å; I46-V53 HydrophobicContact CG2-CB 4.2Å; I46-V53 PolarHBondContact N-O 3.38Å; I46-V53 PolarHBondContact O-N 3.5Å; K51-V53 HydrophobicContact CB-CG2 4.43Å; V53-L55 HydrophobicContact CG1-CD2 4.25Å; V53-L55 HydrophobicContact CG1-CG 4.48Å; V53-T175 HydrophobicContact CB-CG2 4Å; V53-T175 HydrophobicContact CG1-CG2 4.05Å; V53-T175 HydrophobicContact CG2-CG2 3.82Å; V53-L179 HydrophobicContact CG2-CD1 4.19Å; V53-L179 HydrophobicContact CG2-CD2 4.09Å; V53-L179 HydrophobicContact CG2-CG 4.48Å
54E97.3Very high95.8Very high46 Ų4645.4 Ų45.422%0.21524%0.238CC..EExtended strand (participates in β ladder)trans-85.6113.7166.7-175.9-172.985.600108.2I4 R5 K6 I43I4-E54 PolarHBondContact O-N 3.41Å; R5-E54 WeakPolarHBondContact CA-O 3.49Å; R5-E54 WeakPolarHBondContact CD-OE1 3.15Å; R5-E54 HydrophobicContact CG-CB 4.44Å; R5-E54 IonicContact CZ-OE1 2.7Å; R5-E54 IonicContact NE-OE1 2.79Å; R5-E54 PolarHBondContact NE-OE1 2.95Å; R5-E54 IonicContact NH1-OE1 3.66Å; R5-E54 PolarHBondContact NH1-OE1 3.47Å; K6-E54 PolarHBondContact N-O 3.47Å; I43-E54 HydrophobicContact CG2-CG 3.62Å
55L97.8Very high95.8Very high0 Ų051.5 Ų51.50%027%0.269CS..EExtended strand (participates in β ladder)trans-89.5118.7173.1-69.6174.4000110K6 F25 I43 A44 I46 V53 L57 F171K6-L55 HydrophobicContact CB-CD2 3.97Å; K6-L55 WeakPolarHBondContact O-CA 3.42Å; F25-L55 HydrophobicContact CE1-CD1 3.9Å; F25-L55 HydrophobicContact CZ-CD1 4.05Å; I43-L55 WeakPolarHBondContact CA-O 3.48Å; A44-L55 PolarHBondContact N-O 2.87Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 WeakPolarHBondContact O-CB 3.2Å; A44-L55 PolarHBondContact O-N 3.15Å; I46-L55 HydrophobicContact CG2-CD1 3.73Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; V53-L55 HydrophobicContact CG1-CD2 4.25Å; V53-L55 HydrophobicContact CG1-CG 4.48Å; L55-L57 HydrophobicContact CB-CD2 3.73Å; L55-L57 HydrophobicContact CB-CG 4.27Å; L55-L57 HydrophobicContact CD1-CD2 4.2Å; L55-F171 HydrophobicContact CD1-CD1 4.2Å
56A98.1Very high95.7Very high7 Ų748.9 Ų48.96%0.05825%0.251CS..EExtended strand (participates in β ladder)trans-87107.3162.500000108.1K6 K7 L8K6-A56 PolarHBondContact O-N 3.14Å; K7-A56 WeakPolarHBondContact CA-O 3.39Å; L8-A56 PolarHBondContact N-O 2.96Å
57L98.6Very high95.7Very high0 Ų051.1 Ų51.10%026%0.263CS..EExtended strand (participates in β ladder)trans-96.1121-175.3-51.6174000109.5L8 L22 F25 N41 Y42 A44 L55 F171L8-L57 HydrophobicContact CB-CD2 4.05Å; L8-L57 HydrophobicContact CD1-CD2 4.12Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.33Å; L22-L57 HydrophobicContact CD2-CB 4.08Å; L22-L57 HydrophobicContact CD2-CD1 4.16Å; L22-L57 HydrophobicContact CD2-CD2 4.37Å; L22-L57 HydrophobicContact CD2-CG 4.44Å; F25-L57 HydrophobicContact CD1-CD1 3.88Å; F25-L57 HydrophobicContact CE1-CD1 4.15Å; N41-L57 WeakPolarHBondContact CA-O 3.4Å; Y42-L57 PolarHBondContact N-O 3.46Å; Y42-L57 PolarHBondContact O-N 2.92Å; A44-L57 HydrophobicContact CB-CD1 3.98Å; L55-L57 HydrophobicContact CB-CD2 3.73Å; L55-L57 HydrophobicContact CB-CG 4.27Å; L55-L57 HydrophobicContact CD1-CD2 4.2Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.97Å
58W98.6Very high95.7Very high65 Ų6557.3 Ų57.325%0.24628%0.282CS..EExtended strand (participates in β ladder)trans-109.4104.7-177.8-72.358000109K7 L8 V9 I10 F39 N41K7-W58 HydrophobicContact CD-CD2 4.43Å; K7-W58 HydrophobicContact CD-CZ2 4.48Å; K7-W58 VanDerWaalsContact CE-CD2 3.46Å; K7-W58 VanDerWaalsContact CE-CE2 3.44Å; K7-W58 HydrophobicContact CG-CG 4.43Å; L8-W58 PolarHBondContact O-N 3.47Å; V9-W58 HydrophobicContact CB-CB 4.32Å; V9-W58 HydrophobicContact CG1-CB 4.43Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.2Å; I10-W58 WeakPolarHBondContact CG2-O 3.17Å; I10-W58 PolarHBondContact N-O 3.31Å; I10-W58 VanDerWaalsContact N-O 3.08Å; F39-W58 HydrophobicContact CE1-CZ3 4.39Å; F39-W58 HydrophobicContact CE2-CB 4.31Å; F39-W58 HydrophobicContact CE2-CD2 4.08Å; F39-W58 AromaticContact CE2-CE3 3.35Å; F39-W58 HydrophobicContact CE2-CE3 3.35Å; F39-W58 AromaticContact CE2-CZ3 3.91Å; F39-W58 HydrophobicContact CE2-CZ3 3.91Å; F39-W58 AromaticContact CZ-CD2 3.94Å; F39-W58 HydrophobicContact CZ-CD2 3.94Å; F39-W58 AromaticContact CZ-CE3 3.24Å; F39-W58 HydrophobicContact CZ-CE3 3.24Å; F39-W58 HydrophobicContact CZ-CH2 4.25Å; F39-W58 AromaticContact CZ-CZ3 3.42Å; F39-W58 HydrophobicContact CZ-CZ3 3.42Å; F39-W58 VanDerWaalsContact CZ-CZ3 3.42Å; N41-W58 VanDerWaalsContact OD1-CD2 3.23Å
59D98.2Very high95.7Very high0 Ų061.9 Ų61.90%031%0.305CS..EExtended strand (participates in β ladder)trans-83.4135.4176.4-160.82.2000110.9I10 T19 L22 T37 F39 E40 Y42I10-D59 HydrophobicContact CG2-CB 4.49Å; T19-D59 WeakPolarHBondContact CA-OD2 3.47Å; T19-D59 WeakPolarHBondContact CB-OD2 3.36Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.37Å; T19-D59 PolarHBondContact OG1-OD2 3.39Å; L22-D59 HydrophobicContact CD1-CB 3.44Å; L22-D59 VanDerWaalsContact CD1-CB 3.44Å; T37-D59 HydrophobicContact CG2-CB 4.29Å; F39-D59 WeakPolarHBondContact CA-O 3.47Å; F39-D59 WeakPolarHBondContact CD2-O 3.43Å; E40-D59 HydrophobicContact CB-CB 4.18Å; E40-D59 PolarHBondContact N-O 2.93Å; E40-D59 VanDerWaalsContact N-O 3.15Å; E40-D59 PolarHBondContact O-N 3.34Å; Y42-D59 HydrophobicContact CE2-CB 4.23Å
60T98.1Very high95.9Very high2 Ų257.2 Ų57.21%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-127.7150.6-173.372.70000112.9V9 I10 K18 G62 R70V9-T60 HydrophobicContact CG1-CG2 3.82Å; I10-T60 WeakPolarHBondContact O-CG2 3.5Å; I10-T60 PolarHBondContact O-OG1 2.84Å; K18-T60 WeakPolarHBondContact CE-O 3.41Å; T60-G62 PolarHBondContact O-N 2.88Å; T60-R70 HydrophobicContact CG2-CG 4.2Å
61A96.6Very high96.1Very high1 Ų155.4 Ų55.41%0.00826%0.257CS..  trans-61.8133.7170.600000112.2T37 V38 Y66 R70T37-A61 WeakPolarHBondContact O-CA 3.33Å; T37-A61 WeakPolarHBondContact O-CB 3.45Å; V38-A61 WeakPolarHBondContact O-CB 3.33Å; V38-A61 PolarHBondContact O-N 3.29Å; V38-A61 VanDerWaalsContact O-N 3.11Å; A61-Y66 HydrophobicContact CB-CD1 4.38Å; A61-Y66 HydrophobicContact CB-CD2 3.53Å; A61-Y66 HydrophobicContact CB-CE2 4.37Å; A61-Y66 HydrophobicContact CB-CG 3.53Å; A61-R70 PolarHBondContact O-NE 3.41Å; A61-R70 PolarHBondContact O-NH2 3.46Å
62G94Very high96.3Very high9 Ų956.5 Ų56.59%0.09327%0.267CS..  trans-91.1-4.517200000114.8G12 G14 T60G12-G62 VanDerWaalsContact O-CA 3.22Å; G12-G62 WeakPolarHBondContact O-CA 3.41Å; G14-G62 PolarHBondContact N-O 3.1Å; T60-G62 PolarHBondContact O-N 2.88Å
63Q92.8Very high96.4Very high66 Ų6651.6 Ų51.631%0.30825%0.245SC..SBendtrans-85.3150.8-179.9-58.1174.415.600111D65 Y66 R70Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 2.93Å; Q63-Y66 HydrophobicContact CB-CD2 4.15Å; Q63-Y66 PolarHBondContact O-N 3.33Å; Q63-R70 PolarHBondContact O-NH2 2.97Å
64E91.7Very high96.4Very high132 Ų13251.8 Ų51.862%0.61725%0.245SC*.G310 helixtrans-68.2-28.3-178.7-69.7179.4176.900113.2Y66 D67 K98E64-Y66 PolarHBondContact O-N 2.85Å; E64-D67 VanDerWaalsContact O-CB 3.3Å; E64-D67 WeakPolarHBondContact O-CB 3.22Å; E64-D67 VanDerWaalsContact O-CG 3.23Å; E64-D67 PolarHBondContact O-N 2.85Å; E64-K98 IonicContact OE1-NZ 2.69Å; E64-K98 PolarHBondContact OE1-NZ 3.29Å; E64-K98 VanDerWaalsContact OE1-NZ 3.11Å
65D94.4Very high96.4Very high139 Ų13953.1 Ų53.174%0.74326%0.258SS*.G310 helixtrans-55-22.9175.7-64.1-29.3000112.7Q63Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 2.93Å
66Y95Very high96.3Very high65 Ų6559.1 Ų59.126%0.25529%0.29SS..G310 helixtrans-104.88.1-179.6-62-81.8000114V38 A61 Q63 E64 R68 L69 R70V38-Y66 HydrophobicContact CB-CE1 4.18Å; V38-Y66 HydrophobicContact CG1-CD1 3.9Å; V38-Y66 HydrophobicContact CG1-CE1 3.47Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.47Å; V38-Y66 HydrophobicContact CG2-CE1 3.94Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.26Å; A61-Y66 HydrophobicContact CB-CD1 4.38Å; A61-Y66 HydrophobicContact CB-CD2 3.53Å; A61-Y66 HydrophobicContact CB-CE2 4.37Å; A61-Y66 HydrophobicContact CB-CG 3.53Å; Q63-Y66 HydrophobicContact CB-CD2 4.15Å; Q63-Y66 PolarHBondContact O-N 3.33Å; E64-Y66 PolarHBondContact O-N 2.85Å; Y66-R68 PolarHBondContact O-N 2.88Å; Y66-R68 VanDerWaalsContact O-N 3.1Å; Y66-L69 HydrophobicContact CD1-CD1 3.99Å; Y66-L69 HydrophobicContact CE1-CD1 4.49Å; Y66-L69 PolarHBondContact O-N 2.69Å; Y66-R70 PolarHBondContact O-N 3.08Å
67D95.4Very high96.3Very high57 Ų5759.3 Ų59.331%0.30529%0.291SS..THydrogen-bonded Turntrans-56.9-30.2-178.6-78.2-7.5000113E64 R70 P71E64-D67 VanDerWaalsContact O-CB 3.3Å; E64-D67 WeakPolarHBondContact O-CB 3.22Å; E64-D67 VanDerWaalsContact O-CG 3.23Å; E64-D67 PolarHBondContact O-N 2.85Å; D67-R70 IonicContact OD1-CZ 3.71Å; D67-R70 VanDerWaalsContact OD1-CZ 3.25Å; D67-R70 IonicContact OD1-NH1 2.82Å; D67-R70 PolarHBondContact OD1-NH1 3.46Å; D67-R70 IonicContact OD1-NH2 2.67Å; D67-R70 PolarHBondContact OD1-NH2 3.16Å; D67-P71 WeakPolarHBondContact O-CD 3.5Å; D67-P71 WeakPolarHBondContact O-CG 3.35Å
68R95Very high96.3Very high232 Ų23259.4 Ų59.488%0.87529%0.291SS*.THydrogen-bonded Turntrans-80.8-23.3176.5-64.5-174.4179.6-1751113.8Y66Y66-R68 PolarHBondContact O-N 2.88Å; Y66-R68 VanDerWaalsContact O-N 3.1Å
69L95.4Very high96.3Very high99 Ų9956.4 Ų56.452%0.51828%0.28SS..THydrogen-bonded Turntrans-94.3-35.8-177.3-67179.2000112Y66 P71 L72Y66-L69 HydrophobicContact CD1-CD1 3.99Å; Y66-L69 HydrophobicContact CE1-CD1 4.49Å; Y66-L69 PolarHBondContact O-N 2.69Å; L69-P71 VanDerWaalsContact C-CD 3.41Å; L69-P71 VanDerWaalsContact C-N 3.29Å; L69-L72 HydrophobicContact CD2-CD1 4.2Å; L69-L72 VanDerWaalsContact O-CB 3.29Å; L69-L72 WeakPolarHBondContact O-CB 3.07Å; L69-L72 WeakPolarHBondContact O-CG 3.18Å; L69-L72 PolarHBondContact O-N 3.22Å
70R97.2Very high96.3Very high7 Ų756.4 Ų56.43%0.02628%0.28CS..G310 helixtrans-50.4-41.8179.6-167.4-178-42.41054.8113.3T60 A61 Q63 Y66 D67 L72 S73 Y74 E102T60-R70 HydrophobicContact CG2-CG 4.2Å; A61-R70 PolarHBondContact O-NE 3.41Å; A61-R70 PolarHBondContact O-NH2 3.46Å; Q63-R70 PolarHBondContact O-NH2 2.97Å; Y66-R70 PolarHBondContact O-N 3.08Å; D67-R70 IonicContact OD1-CZ 3.71Å; D67-R70 VanDerWaalsContact OD1-CZ 3.25Å; D67-R70 IonicContact OD1-NH1 2.82Å; D67-R70 PolarHBondContact OD1-NH1 3.46Å; D67-R70 IonicContact OD1-NH2 2.67Å; D67-R70 PolarHBondContact OD1-NH2 3.16Å; R70-L72 PolarHBondContact O-N 2.89Å; R70-L72 VanDerWaalsContact O-N 3.07Å; R70-S73 VanDerWaalsContact O-CB 3.26Å; R70-S73 WeakPolarHBondContact O-CB 3.38Å; R70-S73 PolarHBondContact O-N 2.85Å; R70-S73 PolarHBondContact O-OG 2.72Å; R70-Y74 WeakPolarHBondContact CD-OH 3.47Å; R70-E102 WeakPolarHBondContact CD-OE1 3.27Å; R70-E102 IonicContact NH1-OE1 3.12Å; R70-E102 PolarHBondContact NH1-OE1 2.58Å; R70-E102 IonicContact NH1-OE2 3.08Å; R70-E102 PolarHBondContact NH1-OE2 3.4Å
71P97.6Very high96.3Very high23 Ų2356.3 Ų56.315%0.14928%0.279CS..G310 helixtrans-61.3-20.8-179.6-27.437.7000115.7D67 L69 S73 Y74 P75 F106D67-P71 WeakPolarHBondContact O-CD 3.5Å; D67-P71 WeakPolarHBondContact O-CG 3.35Å; L69-P71 VanDerWaalsContact C-CD 3.41Å; L69-P71 VanDerWaalsContact C-N 3.29Å; P71-S73 PolarHBondContact O-N 3.17Å; P71-Y74 VanDerWaalsContact CA-CD2 3.45Å; P71-Y74 HydrophobicContact CB-CD2 4.05Å; P71-Y74 HydrophobicContact CB-CE2 4.29Å; P71-Y74 HydrophobicContact CG-CE2 4.4Å; P71-Y74 PolarHBondContact O-N 3.31Å; P71-Y74 VanDerWaalsContact O-N 3.12Å; P71-P75 WeakPolarHBondContact O-CD 3.32Å; P71-F106 HydrophobicContact CB-CD1 4.08Å; P71-F106 HydrophobicContact CB-CD2 4.1Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.72Å; P71-F106 HydrophobicContact CB-CG 4.28Å; P71-F106 HydrophobicContact CB-CZ 3.51Å; P71-F106 HydrophobicContact CG-CD2 4.22Å; P71-F106 HydrophobicContact CG-CE1 4.28Å; P71-F106 HydrophobicContact CG-CE2 3.53Å; P71-F106 HydrophobicContact CG-CZ 3.57Å
72L96.8Very high96.4Very high126 Ų12656.2 Ų56.266%0.6628%0.279SS*.G310 helixtrans-64.9-17.4174.1-57178.6000112.4L69 R70 P75L69-L72 HydrophobicContact CD2-CD1 4.2Å; L69-L72 VanDerWaalsContact O-CB 3.29Å; L69-L72 WeakPolarHBondContact O-CB 3.07Å; L69-L72 WeakPolarHBondContact O-CG 3.18Å; L69-L72 PolarHBondContact O-N 3.22Å; R70-L72 PolarHBondContact O-N 2.89Å; R70-L72 VanDerWaalsContact O-N 3.07Å; L72-P75 WeakPolarHBondContact O-CD 3.22Å
73S97.8Very high96.7Very high6 Ų655.8 Ų55.84%0.04227%0.274CS..G310 helixtrans-81.5-18.7175.6-58.20000113.4K7 V9 F39 R70 P71K7-S73 WeakPolarHBondContact CE-O 3.24Å; K7-S73 PolarHBondContact NZ-O 3.21Å; V9-S73 WeakPolarHBondContact CG2-O 3.35Å; F39-S73 WeakPolarHBondContact CE2-OG 3.09Å; R70-S73 VanDerWaalsContact O-CB 3.26Å; R70-S73 WeakPolarHBondContact O-CB 3.38Å; R70-S73 PolarHBondContact O-N 2.85Å; R70-S73 PolarHBondContact O-OG 2.72Å; P71-S73 PolarHBondContact O-N 3.17Å
74Y98.3Very high97Very high5 Ų552.7 Ų52.72%0.0226%0.26CS..  trans-78.4-26.5-172.3-65.1-34.3000118V9 V11 R70 P71 D76 T77 I80 E102 F106V9-Y74 HydrophobicContact CG1-CD1 4Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V11-Y74 HydrophobicContact CG1-CE1 3.76Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.46Å; R70-Y74 WeakPolarHBondContact CD-OH 3.47Å; P71-Y74 VanDerWaalsContact CA-CD2 3.45Å; P71-Y74 HydrophobicContact CB-CD2 4.05Å; P71-Y74 HydrophobicContact CB-CE2 4.29Å; P71-Y74 HydrophobicContact CG-CE2 4.4Å; P71-Y74 PolarHBondContact O-N 3.31Å; P71-Y74 VanDerWaalsContact O-N 3.12Å; Y74-D76 PolarHBondContact O-N 2.93Å; Y74-T77 WeakPolarHBondContact O-CB 3.38Å; Y74-T77 PolarHBondContact O-N 2.9Å; Y74-T77 PolarHBondContact O-OG1 2.9Å; Y74-I80 HydrophobicContact CD1-CD1 4.35Å; Y74-I80 HydrophobicContact CE1-CD1 4.39Å; Y74-E102 HydrophobicContact CE2-CG 4.08Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.37Å; Y74-E102 PolarHBondContact OH-OE1 2.77Å; Y74-F106 HydrophobicContact CD2-CB 3.3Å; Y74-F106 HydrophobicContact CD2-CD1 4.43Å; Y74-F106 AromaticContact CD2-CD2 3.59Å; Y74-F106 HydrophobicContact CD2-CD2 3.59Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 4.1Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.44Å; Y74-F106 HydrophobicContact CE2-CG 4.11Å; Y74-F106 HydrophobicContact CG-CB 3.92Å
75P96.9Very high97.3Very high75 Ų7546.4 Ų46.449%0.48723%0.231SC..THydrogen-bonded Turntrans-52.9136178.8-29.436.5000112.7K7 P71 L72 T77K7-P75 WeakPolarHBondContact CE-O 3.47Å; K7-P75 PolarHBondContact NZ-O 2.92Å; P71-P75 WeakPolarHBondContact O-CD 3.32Å; L72-P75 WeakPolarHBondContact O-CD 3.22Å; P75-T77 PolarHBondContact O-N 2.82Å; P75-T77 VanDerWaalsContact O-N 3.17Å
76D95.4Very high97.5Very high126 Ų12639.8 Ų39.867%0.67420%0.195SC*.THydrogen-bonded Turntrans60.518.3177.7-54.9-52.7000116.1Y74 D78Y74-D76 PolarHBondContact O-N 2.93Å; D76-D78 PolarHBondContact O-N 3.49Å
77T98.1Very high97.7Very high10 Ų1038.5 Ų38.56%0.06119%0.193CC..  trans-62.3133.4175.9-56.80000111.4V9 Y74 P75 V79 I80 V110V9-T77 HydrophobicContact CB-CG2 4.05Å; V9-T77 HydrophobicContact CG2-CG2 3.74Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.19Å; Y74-T77 WeakPolarHBondContact O-CB 3.38Å; Y74-T77 PolarHBondContact O-N 2.9Å; Y74-T77 PolarHBondContact O-OG1 2.9Å; P75-T77 PolarHBondContact O-N 2.82Å; P75-T77 VanDerWaalsContact O-N 3.17Å; T77-V79 WeakPolarHBondContact CG2-O 3.4Å; T77-I80 HydrophobicContact CG2-CD1 3.81Å; T77-I80 HydrophobicContact CG2-CG1 4.29Å; T77-V110 HydrophobicContact CG2-CG1 4.04Å; T77-V110 WeakPolarHBondContact O-CG2 3.11Å
78D98.2Very high97.8Very high3 Ų337.9 Ų37.92%0.01619%0.193CC..SBendtrans-97-27.8178.4-70.2-84000112.4K6 K7 D76 P111 G178 V181 K183K6-D78 HydrophobicContact CB-CB 4.34Å; K6-D78 HydrophobicContact CD-CB 3.59Å; K6-D78 VanDerWaalsContact CD-CG 3.4Å; K6-D78 WeakPolarHBondContact CD-OD1 3.38Å; K6-D78 IonicContact NZ-OD1 3.7Å; K6-D78 PolarHBondContact NZ-OD1 3.22Å; K7-D78 PolarHBondContact N-OD2 3.39Å; K7-D78 WeakPolarHBondContact O-CA 3.45Å; K7-D78 WeakPolarHBondContact O-CB 3.23Å; K7-D78 PolarHBondContact O-N 2.98Å; D76-D78 PolarHBondContact O-N 3.49Å; D78-P111 WeakPolarHBondContact O-CD 3.32Å; D78-G178 WeakPolarHBondContact O-CA 3.48Å; D78-V181 WeakPolarHBondContact O-CG2 3.5Å; D78-K183 WeakPolarHBondContact OD1-CE 3.43Å; D78-K183 IonicContact OD1-NZ 3.61Å; D78-K183 PolarHBondContact OD1-NZ 3.2Å; D78-K183 IonicContact OD2-NZ 2.92Å; D78-K183 PolarHBondContact OD2-NZ 3.02Å; D78-K183 VanDerWaalsContact OD2-NZ 3.15Å
79V98.8Very high98Very high1 Ų127.8 Ų27.81%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-154146.7176.260.80000110.9K7 L8 V9 T77 P111 I113 A174 A177K7-V79 PolarHBondContact O-N 2.66Å; L8-V79 WeakPolarHBondContact CA-O 3.18Å; L8-V79 HydrophobicContact CB-CG1 3.84Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.91Å; V9-V79 PolarHBondContact N-O 3.34Å; V9-V79 VanDerWaalsContact N-O 3.16Å; T77-V79 WeakPolarHBondContact CG2-O 3.4Å; V79-P111 HydrophobicContact CB-CG 4.4Å; V79-P111 HydrophobicContact CG2-CG 4.29Å; V79-I113 HydrophobicContact CG2-CG1 4.18Å; V79-A174 HydrophobicContact CG1-CB 4.29Å; V79-A174 HydrophobicContact CG2-CB 4.07Å; V79-A177 HydrophobicContact CG2-CB 4.25Å
80I98.8Very high98.2Very high0 Ų026.7 Ų26.70%015%0.152CC..EExtended strand (participates in β ladder)trans-106.5129.7174-62.8-74.5000109.5V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113V9-I80 HydrophobicContact CB-CD1 4Å; V9-I80 WeakPolarHBondContact O-CA 3.4Å; V11-I80 HydrophobicContact CG2-CG2 4Å; Y74-I80 HydrophobicContact CD1-CD1 4.35Å; Y74-I80 HydrophobicContact CE1-CD1 4.39Å; T77-I80 HydrophobicContact CG2-CD1 3.81Å; T77-I80 HydrophobicContact CG2-CG1 4.29Å; I80-M82 HydrophobicContact CG2-CB 4.28Å; I80-V103 HydrophobicContact CB-CG1 4.37Å; I80-V103 HydrophobicContact CD1-CG1 4.26Å; I80-V103 HydrophobicContact CG1-CG1 3.79Å; I80-V103 HydrophobicContact CG2-CG1 4.18Å; I80-V103 HydrophobicContact CG2-CG2 4.19Å; I80-V110 HydrophobicContact CG1-CB 4.46Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; I80-P111 PolarHBondContact N-O 3.09Å; I80-I112 HydrophobicContact CB-CG1 4.15Å; I80-I112 HydrophobicContact CG2-CG1 4.4Å; I80-I112 HydrophobicContact CG2-CG2 4.43Å; I80-I113 PolarHBondContact O-N 2.98Å
81L98.9Very high98.2Very high0 Ų026.4 Ų26.40%015%0.151CC..EExtended strand (participates in β ladder)trans-93.4116.8157.5-70.2-170.6000108.3L8 V9 I10 V11 L21 I113 V115 V170 F171 A174L8-L81 HydrophobicContact CD1-CD1 3.96Å; L8-L81 HydrophobicContact CD1-CG 3.89Å; L8-L81 HydrophobicContact CD2-CB 4.37Å; L8-L81 HydrophobicContact CD2-CD1 3.93Å; L8-L81 HydrophobicContact CD2-CG 3.89Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.07Å; V9-L81 PolarHBondContact O-N 2.79Å; I10-L81 CarbonylContact C-O 3.43Å; I10-L81 VanDerWaalsContact CA-O 3.29Å; I10-L81 WeakPolarHBondContact CA-O 3.37Å; I10-L81 HydrophobicContact CB-CB 4.13Å; I10-L81 HydrophobicContact CD1-CB 4.22Å; I10-L81 HydrophobicContact CD1-CD1 4.21Å; I10-L81 HydrophobicContact CG1-CB 3.81Å; V11-L81 PolarHBondContact N-O 2.69Å; L21-L81 HydrophobicContact CD2-CD1 4.38Å; L81-I113 HydrophobicContact CD2-CB 3.69Å; L81-I113 HydrophobicContact CD2-CG1 4.06Å; L81-I113 HydrophobicContact CD2-CG2 4.2Å; L81-V115 HydrophobicContact CD2-CG2 3.98Å; L81-V170 HydrophobicContact CD1-CG1 3.87Å; L81-V170 HydrophobicContact CD2-CG1 3.89Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.18Å; L81-A174 HydrophobicContact CD2-CB 3.74Å; L81-A174 HydrophobicContact CG-CB 4.49Å
82M98.9Very high98.3Very high0 Ų026 Ų260%015%0.148CC..EExtended strand (participates in β ladder)trans-107.3115.9176.3-170.1-179.9-72.700108.2V11 I80 I95 W99 V103 I112 I113 L114 V115 I151V11-M82 HydrophobicContact CG2-CB 4.21Å; V11-M82 HydrophobicContact CG2-CE 4.49Å; V11-M82 HydrophobicContact CG2-CG 4.04Å; I80-M82 HydrophobicContact CG2-CB 4.28Å; M82-I95 HydrophobicContact CG-CD1 3.72Å; M82-I95 HydrophobicContact SD-CD1 4.09Å; M82-I95 HydrophobicContact SD-CG2 3.75Å; M82-W99 HydrophobicContact CE-CB 4.11Å; M82-W99 HydrophobicContact CG-CB 4.09Å; M82-W99 HydrophobicContact SD-CB 3.89Å; M82-V103 HydrophobicContact CE-CB 3.86Å; M82-V103 HydrophobicContact CE-CG1 4.29Å; M82-V103 HydrophobicContact CE-CG2 3.69Å; M82-I112 HydrophobicContact CB-CG2 3.69Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.03Å; M82-I112 HydrophobicContact SD-CG2 4.28Å; M82-I113 PolarHBondContact N-O 2.92Å; M82-L114 HydrophobicContact CB-CD1 4.45Å; M82-L114 HydrophobicContact CG-CD1 4.43Å; M82-L114 CarbonylContact O-C 3.48Å; M82-L114 WeakPolarHBondContact O-CA 3.39Å; M82-L114 WeakPolarHBondContact O-CD1 3.3Å; M82-V115 PolarHBondContact O-N 2.87Å; M82-I151 HydrophobicContact SD-CD1 3.96Å
83C99Very high98.4Very high0 Ų025.3 Ų25.30%014%0.141CC..EExtended strand (participates in β ladder)trans-112136.5-167.9-66.30000112.2I10 V11 G12 K18 V115I10-C83 VanDerWaalsContact CD1-SG 3.58Å; V11-C83 PolarHBondContact O-N 2.55Å; G12-C83 VanDerWaalsContact CA-O 3.28Å; G12-C83 WeakPolarHBondContact CA-O 3.5Å; K18-C83 HydrophobicContact CG-CB 4.1Å; C83-V115 WeakPolarHBondContact CA-O 3.35Å
84F98.9Very high98.4Very high0 Ų027.2 Ų27.20%015%0.151CC..EExtended strand (participates in β ladder)trans-121.3173.7159.372.2-85.6000108.8I86 S91 L92 I95 L114 V115 G116 N117 V139 Y156F84-I86 HydrophobicContact CE2-CG1 4.12Å; F84-S91 WeakPolarHBondContact CB-O 3.42Å; F84-L92 HydrophobicContact CB-CB 4.4Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CB 3.99Å; F84-L92 HydrophobicContact CD2-CD1 4.04Å; F84-L92 HydrophobicContact CE1-CD1 3.69Å; F84-L92 HydrophobicContact CE2-CD1 4.11Å; F84-L92 HydrophobicContact CG-CB 4.17Å; F84-L92 HydrophobicContact CG-CD1 3.83Å; F84-L92 HydrophobicContact CZ-CD1 3.92Å; F84-I95 HydrophobicContact CB-CD1 4.2Å; F84-I95 HydrophobicContact CB-CG1 4.19Å; F84-L114 HydrophobicContact CD1-CD1 4.02Å; F84-L114 HydrophobicContact CD1-CG 4.19Å; F84-L114 HydrophobicContact CE1-CD1 4.37Å; F84-L114 HydrophobicContact CE1-CD2 4.15Å; F84-L114 HydrophobicContact CE1-CG 4.04Å; F84-V115 WeakPolarHBondContact CD1-O 2.97Å; F84-V115 PolarHBondContact N-O 3.01Å; F84-G116 VanDerWaalsContact CZ-CA 3.42Å; F84-N117 WeakPolarHBondContact O-CB 3.37Å; F84-N117 PolarHBondContact O-N 2.84Å; F84-V139 HydrophobicContact CD2-CG2 4.43Å; F84-V139 HydrophobicContact CE2-CB 4.01Å; F84-V139 HydrophobicContact CE2-CG1 3.69Å; F84-V139 HydrophobicContact CE2-CG2 4.18Å; F84-V139 HydrophobicContact CZ-CG1 4.17Å; F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.93Å; F84-Y156 HydrophobicContact CZ-CE2 3.93Å
85S98.9Very high98.5Very high1 Ų127 Ų271%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-115132.6178.9-153.40000111D87 S88 S91 K118S85-D87 WeakPolarHBondContact CB-OD1 3.29Å; S85-D87 PolarHBondContact O-N 3.39Å; S85-D87 PolarHBondContact OG-OD1 3.15Å; S85-S88 CarbonylContact O-C 3.41Å; S85-S88 PolarHBondContact O-N 3.42Å; S85-S88 VanDerWaalsContact O-O 3.08Å; S85-S91 PolarHBondContact N-OG 2.82Å; S85-S91 PolarHBondContact O-OG 3.07Å; S85-K118 WeakPolarHBondContact OG-CD 3.17Å; S85-K118 WeakPolarHBondContact OG-CE 3.39Å; S85-K118 WeakPolarHBondContact OG-CG 3.42Å; S85-K118 PolarHBondContact OG-NZ 3.42Å; S85-K118 VanDerWaalsContact OG-NZ 3.13Å
86I98.9Very high98.6Very high0 Ų024.5 Ų24.50%013%0.133CC..THydrogen-bonded Turntrans-64.5-29-177.4-74.2163.8000112.1F84 S88 N117 K119 R122 P138 V139 E158F84-I86 HydrophobicContact CE2-CG1 4.12Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 2.76Å; I86-N117 WeakPolarHBondContact CB-O 3.25Å; I86-N117 WeakPolarHBondContact CG1-O 3.24Å; I86-N117 PolarHBondContact N-O 2.88Å; I86-K119 VanDerWaalsContact CD1-CA 3.45Å; I86-K119 HydrophobicContact CD1-CB 3.82Å; I86-K119 HydrophobicContact CD1-CG 4.13Å; I86-R122 VanDerWaalsContact CD1-NH2 3.32Å; I86-R122 HydrophobicContact CG2-CB 3.86Å; I86-R122 HydrophobicContact CG2-CG 4.39Å; I86-P138 HydrophobicContact CG2-CB 4.14Å; I86-P138 CarbonylContact O-C 3.15Å; I86-P138 VanDerWaalsContact O-CA 3.28Å; I86-P138 WeakPolarHBondContact O-CA 3.26Å; I86-V139 PolarHBondContact O-N 3.21Å; I86-E158 HydrophobicContact CD1-CB 4.28Å; I86-E158 HydrophobicContact CD1-CG 4.17Å
87D98.6Very high98.7Very high38 Ų3825.2 Ų25.220%0.20313%0.133CC..THydrogen-bonded Turntrans-81.24173.968.5-27.4000114.2S85 K118 L121 T127S85-D87 WeakPolarHBondContact CB-OD1 3.29Å; S85-D87 PolarHBondContact O-N 3.39Å; S85-D87 PolarHBondContact OG-OD1 3.15Å; D87-K118 WeakPolarHBondContact OD1-CD 3.37Å; D87-K118 IonicContact OD1-NZ 3.6Å; D87-K118 PolarHBondContact OD1-NZ 3.25Å; D87-K118 VanDerWaalsContact OD1-NZ 3.12Å; D87-K118 IonicContact OD2-NZ 3.38Å; D87-K118 PolarHBondContact OD2-NZ 2.57Å; D87-L121 HydrophobicContact CB-CB 4.04Å; D87-L121 HydrophobicContact CB-CD1 3.75Å; D87-L121 VanDerWaalsContact OD2-CD1 3.28Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.48Å; D87-T127 HydrophobicContact CB-CG2 3.59Å
88S98.6Very high98.7Very high43 Ų4326.7 Ų26.730%0.30114%0.138SC..BIsolated β-bridgetrans-139.290.6-178.5179.20000110.7S85 I86 D90 S91S85-S88 CarbonylContact O-C 3.41Å; S85-S88 PolarHBondContact O-N 3.42Å; S85-S88 VanDerWaalsContact O-O 3.08Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 2.76Å; S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 3.11Å; S88-S91 WeakPolarHBondContact O-CB 3.28Å; S88-S91 PolarHBondContact O-N 3.17Å; S88-S91 PolarHBondContact O-OG 2.99Å
89P98.7Very high98.7Very high20 Ų2026.5 Ų26.513%0.1314%0.138CC..Hα-helixtrans-55.1-40.4178.3-30.139.8000113.7S91 L92 E93 L131 Q136 E137 V139P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.15Å; P89-L92 WeakPolarHBondContact O-CA 3.43Å; P89-L92 WeakPolarHBondContact O-CB 3.35Å; P89-L92 PolarHBondContact O-N 3.5Å; P89-E93 PolarHBondContact O-N 2.86Å; P89-E93 VanDerWaalsContact O-N 3.17Å; P89-L131 HydrophobicContact CG-CD2 4.44Å; P89-Q136 HydrophobicContact CG-CB 4.23Å; P89-Q136 HydrophobicContact CG-CG 4.48Å; P89-E137 WeakPolarHBondContact CG-O 3.19Å; P89-V139 HydrophobicContact CB-CG2 4.44Å; P89-V139 HydrophobicContact CG-CG2 4.41Å
90D98.4Very high98.7Very high76 Ų7627 Ų2741%0.40614%0.14SC..Hα-helixtrans-54.4-36.4176.2-56.91.5000111.8S88 L92 E93 N94 Q136S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 3.11Å; D90-L92 PolarHBondContact O-N 2.87Å; D90-E93 PolarHBondContact O-N 2.92Å; D90-E93 VanDerWaalsContact O-N 3.11Å; D90-N94 PolarHBondContact O-N 2.83Å; D90-N94 PolarHBondContact O-ND2 2.86Å; D90-Q136 PolarHBondContact OD1-NE2 3.12Å
91S98.8Very high98.7Very high1 Ų130.2 Ų30.21%0.00716%0.162CC..Hα-helixtrans-68.1-23.3178.675.40000113.8D13 F84 S85 S88 P89 I95D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.33Å; D13-S91 WeakPolarHBondContact OD2-CB 3.46Å; F84-S91 WeakPolarHBondContact CB-O 3.42Å; S85-S91 PolarHBondContact N-OG 2.82Å; S85-S91 PolarHBondContact O-OG 3.07Å; S88-S91 WeakPolarHBondContact O-CB 3.28Å; S88-S91 PolarHBondContact O-N 3.17Å; S88-S91 PolarHBondContact O-OG 2.99Å; P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.15Å; S91-I95 WeakPolarHBondContact O-CG1 3.26Å
92L98.9Very high98.7Very high16 Ų1631.6 Ų31.68%0.08417%0.168CC..Hα-helixtrans-77.7-40.7169.2-17870.3000110.8F84 P89 D90 N94 I95 P96 V139 E143 M147F84-L92 HydrophobicContact CB-CB 4.4Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CB 3.99Å; F84-L92 HydrophobicContact CD2-CD1 4.04Å; F84-L92 HydrophobicContact CE1-CD1 3.69Å; F84-L92 HydrophobicContact CE2-CD1 4.11Å; F84-L92 HydrophobicContact CG-CB 4.17Å; F84-L92 HydrophobicContact CG-CD1 3.83Å; F84-L92 HydrophobicContact CZ-CD1 3.92Å; P89-L92 WeakPolarHBondContact O-CA 3.43Å; P89-L92 WeakPolarHBondContact O-CB 3.35Å; P89-L92 PolarHBondContact O-N 3.5Å; D90-L92 PolarHBondContact O-N 2.87Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.49Å; L92-I95 HydrophobicContact CD1-CG1 4.37Å; L92-I95 WeakPolarHBondContact O-CB 3.11Å; L92-I95 WeakPolarHBondContact O-CG1 3.33Å; L92-I95 PolarHBondContact O-N 3.35Å; L92-I95 VanDerWaalsContact O-N 3.08Å; L92-P96 WeakPolarHBondContact O-CD 3.29Å; L92-V139 HydrophobicContact CB-CG2 4.36Å; L92-V139 HydrophobicContact CD2-CG1 3.75Å; L92-V139 HydrophobicContact CD2-CG2 4.37Å; L92-E143 HydrophobicContact CD2-CB 4.14Å; L92-M147 HydrophobicContact CD1-CB 3.77Å; L92-M147 HydrophobicContact CD1-CE 4.43Å; L92-M147 HydrophobicContact CD1-CG 3.75Å; L92-M147 HydrophobicContact CG-CB 4.46Å; L92-M147 HydrophobicContact CG-CE 4.09Å; L92-M147 HydrophobicContact CG-CG 4.41Å
93E98.6Very high98.7Very high110 Ų11031.6 Ų31.651%0.51417%0.168SC..Hα-helixtrans-62-35.4178.2-64.4-178.4175.900111.9P89 D90 I95 P96 E97P89-E93 PolarHBondContact O-N 2.86Å; P89-E93 VanDerWaalsContact O-N 3.17Å; D90-E93 PolarHBondContact O-N 2.92Å; D90-E93 VanDerWaalsContact O-N 3.11Å; E93-I95 PolarHBondContact O-N 3.2Å; E93-P96 WeakPolarHBondContact O-CD 3.43Å; E93-P96 WeakPolarHBondContact O-CG 3.38Å; E93-E97 WeakPolarHBondContact O-CG 3.21Å
94N98.8Very high98.6Very high47 Ų4736.3 Ų36.325%0.25119%0.188SC..Hα-helixtrans-68.6-15.7175.7-71.7-27.2000113.9D13 D90 L92 E97 K98 W99D13-N94 PolarHBondContact OD2-ND2 3Å; D90-N94 PolarHBondContact O-N 2.83Å; D90-N94 PolarHBondContact O-ND2 2.86Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.49Å; N94-E97 PolarHBondContact O-N 2.74Å; N94-K98 WeakPolarHBondContact O-CB 3.4Å; N94-K98 PolarHBondContact O-N 3.39Å; N94-W99 PolarHBondContact O-N 3.06Å
95I98.9Very high98.6Very high0 Ų042.9 Ų42.90%022%0.219CC..Iπ-helixtrans-58.6-56.8179.6-65.5-68.4000111.9M82 F84 S91 L92 E93 W99 T100 L114 M147 I151M82-I95 HydrophobicContact CG-CD1 3.72Å; M82-I95 HydrophobicContact SD-CD1 4.09Å; M82-I95 HydrophobicContact SD-CG2 3.75Å; F84-I95 HydrophobicContact CB-CD1 4.2Å; F84-I95 HydrophobicContact CB-CG1 4.19Å; S91-I95 WeakPolarHBondContact O-CG1 3.26Å; L92-I95 HydrophobicContact CD1-CG1 4.37Å; L92-I95 WeakPolarHBondContact O-CB 3.11Å; L92-I95 WeakPolarHBondContact O-CG1 3.33Å; L92-I95 PolarHBondContact O-N 3.35Å; L92-I95 VanDerWaalsContact O-N 3.08Å; E93-I95 PolarHBondContact O-N 3.2Å; I95-W99 PolarHBondContact O-N 3.36Å; I95-T100 WeakPolarHBondContact O-CB 3.39Å; I95-T100 PolarHBondContact O-N 3.46Å; I95-T100 PolarHBondContact O-OG1 2.65Å; I95-L114 HydrophobicContact CD1-CD1 3.81Å; I95-L114 HydrophobicContact CG1-CD1 4.08Å; I95-L114 HydrophobicContact CG2-CD1 3.89Å; I95-M147 HydrophobicContact CB-CG 4.21Å; I95-M147 HydrophobicContact CG2-CG 3.86Å; I95-M147 HydrophobicContact CG2-SD 4.32Å; I95-I151 HydrophobicContact CG2-CD1 3.79Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å
96P98.6Very high98.5Very high22 Ų2247.2 Ų47.214%0.14324%0.238CC..Iπ-helixtrans-76.7-25.6177.729.8-37.4000113.3L92 E93 P101 M147 I151L92-P96 WeakPolarHBondContact O-CD 3.29Å; E93-P96 WeakPolarHBondContact O-CD 3.43Å; E93-P96 WeakPolarHBondContact O-CG 3.38Å; P96-P101 WeakPolarHBondContact O-CD 3.21Å; P96-P101 WeakPolarHBondContact O-CG 3.24Å; P96-M147 HydrophobicContact CB-SD 4.23Å; P96-M147 WeakPolarHBondContact CD-SD 3.28Å; P96-M147 HydrophobicContact CG-CE 3.78Å; P96-M147 HydrophobicContact CG-SD 3.74Å; P96-I151 HydrophobicContact CB-CG2 4.33Å
97E98Very high98.4Very high141 Ų14147.6 Ų47.666%0.65924%0.24SC*.Iπ-helixtrans-82.2-36.7-173.9-65.2-172.1177.100113E93 N94E93-E97 WeakPolarHBondContact O-CG 3.21Å; N94-E97 PolarHBondContact O-N 2.74Å
98K98.1Very high98.2Very high41 Ų4150 Ų5018%0.17826%0.258CS..Iπ-helixtrans-120.7-59.6-173.5178.1178.2-178.1169.50112.6E64 N94 P101 E102E64-K98 IonicContact OE1-NZ 2.69Å; E64-K98 PolarHBondContact OE1-NZ 3.29Å; E64-K98 VanDerWaalsContact OE1-NZ 3.11Å; N94-K98 WeakPolarHBondContact O-CB 3.4Å; N94-K98 PolarHBondContact O-N 3.39Å; K98-P101 WeakPolarHBondContact O-CD 3.33Å; K98-E102 PolarHBondContact O-N 3.12Å
99W98.7Very high98Very high0 Ų055 Ų550%028%0.281CS..Iπ-helixtrans-71.8-40.7-167.6-62.7108.8000113.1V11 G12 D13 M82 N94 I95 V103V11-W99 HydrophobicContact CB-CE3 3.87Å; V11-W99 HydrophobicContact CB-CZ3 4.1Å; V11-W99 HydrophobicContact CG2-CE3 4.23Å; G12-W99 WeakPolarHBondContact O-CH2 3.35Å; G12-W99 WeakPolarHBondContact O-CZ2 3.47Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.22Å; D13-W99 PolarHBondContact OD1-NE1 2.94Å; M82-W99 HydrophobicContact CE-CB 4.11Å; M82-W99 HydrophobicContact CG-CB 4.09Å; M82-W99 HydrophobicContact SD-CB 3.89Å; N94-W99 PolarHBondContact O-N 3.06Å; I95-W99 PolarHBondContact O-N 3.36Å; W99-V103 WeakPolarHBondContact O-CB 3.32Å; W99-V103 VanDerWaalsContact O-CG2 3.32Å; W99-V103 WeakPolarHBondContact O-CG2 3.38Å; W99-V103 PolarHBondContact O-N 3.19Å
100T98.8Very high97.9Very high10 Ų1055.2 Ų55.26%0.06128%0.282CS..Hα-helixtrans-66.6-47.8179.6-60.40000112.1I95 E102 V103 K104 I151I95-T100 WeakPolarHBondContact O-CB 3.39Å; I95-T100 PolarHBondContact O-N 3.46Å; I95-T100 PolarHBondContact O-OG1 2.65Å; T100-E102 PolarHBondContact O-N 3.45Å; T100-V103 PolarHBondContact O-N 2.92Å; T100-K104 HydrophobicContact CG2-CD 3.77Å; T100-K104 HydrophobicContact CG2-CG 4.21Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.45Å; T100-K104 WeakPolarHBondContact O-CG 3.42Å; T100-K104 PolarHBondContact O-N 3.08Å; T100-I151 HydrophobicContact CG2-CB 4.02Å; T100-I151 HydrophobicContact CG2-CG2 4.14Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.21Å
101P98.5Very high97.9Very high69 Ų6952.7 Ų52.745%0.44827%0.27SS..Hα-helixtrans-56.4-45.9173.7-28.736.2000113.3P96 K98 K104 H105P96-P101 WeakPolarHBondContact O-CD 3.21Å; P96-P101 WeakPolarHBondContact O-CG 3.24Å; K98-P101 WeakPolarHBondContact O-CD 3.33Å; P101-K104 PolarHBondContact O-N 3.04Å; P101-H105 WeakPolarHBondContact O-CB 3.44Å; P101-H105 PolarHBondContact O-N 3.13Å
102E98.5Very high97.9Very high28 Ų2853.2 Ų53.213%0.13127%0.273CS..Hα-helixtrans-62-52.1179.3-173.6-177.6130.400111.5R70 Y74 K98 T100 K104 H105 F106R70-E102 WeakPolarHBondContact CD-OE1 3.27Å; R70-E102 IonicContact NH1-OE1 3.12Å; R70-E102 PolarHBondContact NH1-OE1 2.58Å; R70-E102 IonicContact NH1-OE2 3.08Å; R70-E102 PolarHBondContact NH1-OE2 3.4Å; Y74-E102 HydrophobicContact CE2-CG 4.08Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.37Å; Y74-E102 PolarHBondContact OH-OE1 2.77Å; K98-E102 PolarHBondContact O-N 3.12Å; T100-E102 PolarHBondContact O-N 3.45Å; E102-K104 PolarHBondContact O-N 2.67Å; E102-H105 WeakPolarHBondContact O-CB 3.38Å; E102-H105 PolarHBondContact O-N 2.97Å; E102-H105 VanDerWaalsContact O-N 3.16Å; E102-F106 HydrophobicContact CG-CD2 3.94Å; E102-F106 HydrophobicContact CG-CE2 3.98Å; E102-F106 VanDerWaalsContact O-CD2 3.28Å; E102-F106 WeakPolarHBondContact O-CD2 3.41Å; E102-F106 PolarHBondContact O-N 2.93Å; E102-F106 VanDerWaalsContact O-N 3.13Å
103V98.6Very high97.9Very high1 Ų152.5 Ų52.51%0.00627%0.269CS..Hα-helixtrans-62.7-42.7-179.6169.90000111.1V11 I80 M82 W99 T100 H105 F106 C107 I112V11-V103 HydrophobicContact CG2-CG2 3.86Å; I80-V103 HydrophobicContact CB-CG1 4.37Å; I80-V103 HydrophobicContact CD1-CG1 4.26Å; I80-V103 HydrophobicContact CG1-CG1 3.79Å; I80-V103 HydrophobicContact CG2-CG1 4.18Å; I80-V103 HydrophobicContact CG2-CG2 4.19Å; M82-V103 HydrophobicContact CE-CB 3.86Å; M82-V103 HydrophobicContact CE-CG1 4.29Å; M82-V103 HydrophobicContact CE-CG2 3.69Å; W99-V103 WeakPolarHBondContact O-CB 3.32Å; W99-V103 VanDerWaalsContact O-CG2 3.32Å; W99-V103 WeakPolarHBondContact O-CG2 3.38Å; W99-V103 PolarHBondContact O-N 3.19Å; T100-V103 PolarHBondContact O-N 2.92Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.88Å; V103-F106 PolarHBondContact O-N 3.07Å; V103-C107 HydrophobicContact CG1-CB 4.19Å; V103-C107 CarbonylContact O-C 3.58Å; V103-C107 VanDerWaalsContact O-CA 3.26Å; V103-C107 WeakPolarHBondContact O-CA 3.34Å; V103-C107 VanDerWaalsContact O-CB 3.25Å; V103-C107 WeakPolarHBondContact O-CB 3.49Å; V103-C107 PolarHBondContact O-N 3.36Å; V103-I112 HydrophobicContact CG1-CD1 3.74Å; V103-I112 HydrophobicContact CG1-CG1 3.97Å
104K98Very high97.9Very high98 Ų9847.2 Ų47.243%0.42624%0.244SC..Hα-helixtrans-66.8-28.2178.2-73.6-175.3177.71760112.5T100 P101 E102 P108 I151T100-K104 HydrophobicContact CG2-CD 3.77Å; T100-K104 HydrophobicContact CG2-CG 4.21Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.45Å; T100-K104 WeakPolarHBondContact O-CG 3.42Å; T100-K104 PolarHBondContact O-N 3.08Å; P101-K104 PolarHBondContact O-N 3.04Å; E102-K104 PolarHBondContact O-N 2.67Å; K104-P108 WeakPolarHBondContact O-CA 3.42Å; K104-I151 PolarHBondContact NZ-O 3.28Å
105H98Very high98Very high139 Ų13945 Ų4564%0.64423%0.232SC*.Hα-helixtrans-68.6-49.2174.6-17977.2000112.1P101 E102 V103P101-H105 WeakPolarHBondContact O-CB 3.44Å; P101-H105 PolarHBondContact O-N 3.13Å; E102-H105 WeakPolarHBondContact O-CB 3.38Å; E102-H105 PolarHBondContact O-N 2.97Å; E102-H105 VanDerWaalsContact O-N 3.16Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.88Å
106F98.1Very high98Very high92 Ų9245 Ų4540%0.40423%0.232SC..Hα-helixtrans-90.2-25.2-174.7-66.3-72000114.4P71 Y74 E102 V103 P108P71-F106 HydrophobicContact CB-CD1 4.08Å; P71-F106 HydrophobicContact CB-CD2 4.1Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.72Å; P71-F106 HydrophobicContact CB-CG 4.28Å; P71-F106 HydrophobicContact CB-CZ 3.51Å; P71-F106 HydrophobicContact CG-CD2 4.22Å; P71-F106 HydrophobicContact CG-CE1 4.28Å; P71-F106 HydrophobicContact CG-CE2 3.53Å; P71-F106 HydrophobicContact CG-CZ 3.57Å; Y74-F106 HydrophobicContact CD2-CB 3.3Å; Y74-F106 HydrophobicContact CD2-CD1 4.43Å; Y74-F106 AromaticContact CD2-CD2 3.59Å; Y74-F106 HydrophobicContact CD2-CD2 3.59Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 4.1Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.44Å; Y74-F106 HydrophobicContact CE2-CG 4.11Å; Y74-F106 HydrophobicContact CG-CB 3.92Å; E102-F106 HydrophobicContact CG-CD2 3.94Å; E102-F106 HydrophobicContact CG-CE2 3.98Å; E102-F106 VanDerWaalsContact O-CD2 3.28Å; E102-F106 WeakPolarHBondContact O-CD2 3.41Å; E102-F106 PolarHBondContact O-N 2.93Å; E102-F106 VanDerWaalsContact O-N 3.13Å; V103-F106 PolarHBondContact O-N 3.07Å; F106-P108 VanDerWaalsContact C-CD 3.47Å
107C97.1Very high98Very high7 Ų744.1 Ų44.15%0.04723%0.227CC..  trans-13053.2-173.4-63.30000112.2V103 N109 V110V103-C107 HydrophobicContact CG1-CB 4.19Å; V103-C107 CarbonylContact O-C 3.58Å; V103-C107 VanDerWaalsContact O-CA 3.26Å; V103-C107 WeakPolarHBondContact O-CA 3.34Å; V103-C107 VanDerWaalsContact O-CB 3.25Å; V103-C107 WeakPolarHBondContact O-CB 3.49Å; V103-C107 PolarHBondContact O-N 3.36Å; C107-N109 PolarHBondContact O-N 3.38Å; C107-V110 HydrophobicContact CB-CB 3.82Å; C107-V110 HydrophobicContact CB-CG2 3.64Å; C107-V110 PolarHBondContact O-N 2.98Å; C107-V110 VanDerWaalsContact O-N 3.07Å
108P94.3Very high98Very high90 Ų9039.9 Ų39.958%0.58421%0.206SC*.THydrogen-bonded Turntrans-59.4-24.8-165.622.4-35.2000115.8K104 F106K104-P108 WeakPolarHBondContact O-CA 3.42Å; F106-P108 VanDerWaalsContact C-CD 3.47Å
109N92.9Very high98Very high147 Ų14740.8 Ų40.879%0.78621%0.21SC*.THydrogen-bonded Turntrans-117.312.3-177.8-59.8-56000113.1C107C107-N109 PolarHBondContact O-N 3.38Å
110V97.8Very high98Very high25 Ų2543 Ų4315%0.15222%0.221CC..SBendtrans-90.1129.5-178.6-177.60000108.6T77 I80 C107T77-V110 HydrophobicContact CG2-CG1 4.04Å; T77-V110 WeakPolarHBondContact O-CG2 3.11Å; I80-V110 HydrophobicContact CG1-CB 4.46Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; C107-V110 HydrophobicContact CB-CB 3.82Å; C107-V110 HydrophobicContact CB-CG2 3.64Å; C107-V110 PolarHBondContact O-N 2.98Å; C107-V110 VanDerWaalsContact O-N 3.07Å
111P98.5Very high98Very high23 Ų2343.8 Ų43.815%0.14923%0.225CC..  trans-64.8139.9178.226.6-33.8000110.8D78 V79 I80 F154 A177 V181D78-P111 WeakPolarHBondContact O-CD 3.32Å; V79-P111 HydrophobicContact CB-CG 4.4Å; V79-P111 HydrophobicContact CG2-CG 4.29Å; I80-P111 PolarHBondContact N-O 3.09Å; P111-F154 HydrophobicContact CB-CB 4.09Å; P111-F154 HydrophobicContact CB-CD2 4.39Å; P111-F154 HydrophobicContact CB-CG 4.43Å; P111-A177 HydrophobicContact CB-CB 3.97Å; P111-A177 HydrophobicContact CG-CB 3.92Å; P111-V181 HydrophobicContact CG-CG2 3.77Å
112I98.9Very high98Very high12 Ų1242.2 Ų42.26%0.06221%0.21CC..EExtended strand (participates in β ladder)trans-107.9127.6177.7-60.4168.3000108.2I80 M82 V103 I151 A153 F154I80-I112 HydrophobicContact CB-CG1 4.15Å; I80-I112 HydrophobicContact CG2-CG1 4.4Å; I80-I112 HydrophobicContact CG2-CG2 4.43Å; M82-I112 HydrophobicContact CB-CG2 3.69Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.03Å; M82-I112 HydrophobicContact SD-CG2 4.28Å; V103-I112 HydrophobicContact CG1-CD1 3.74Å; V103-I112 HydrophobicContact CG1-CG1 3.97Å; I112-I151 HydrophobicContact CG2-CD1 4.39Å; I112-A153 CarbonylContact O-C 3.56Å; I112-A153 WeakPolarHBondContact O-CA 3.39Å; I112-A153 WeakPolarHBondContact O-CB 3.44Å; I112-F154 PolarHBondContact O-N 3.01Å
113I98.9Very high98Very high0 Ų047 Ų470%023%0.233CC..EExtended strand (participates in β ladder)trans-99.7121.6163.2-48.2-53.8000107.2V79 I80 L81 M82 V115 F154 M173 A174 A177V79-I113 HydrophobicContact CG2-CG1 4.18Å; I80-I113 PolarHBondContact O-N 2.98Å; L81-I113 HydrophobicContact CD2-CB 3.69Å; L81-I113 HydrophobicContact CD2-CG1 4.06Å; L81-I113 HydrophobicContact CD2-CG2 4.2Å; M82-I113 PolarHBondContact N-O 2.92Å; I113-V115 HydrophobicContact CG2-CG2 4.07Å; I113-F154 HydrophobicContact CD1-CB 3.9Å; I113-F154 HydrophobicContact CD1-CD1 3.55Å; I113-F154 HydrophobicContact CD1-CG 4.1Å; I113-M173 HydrophobicContact CD1-CG 3.84Å; I113-M173 HydrophobicContact CD1-SD 4.11Å; I113-M173 HydrophobicContact CG1-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.93Å; I113-A174 HydrophobicContact CG1-CB 4.02Å; I113-A177 HydrophobicContact CD1-CB 3.99Å
114L99Very high97.9Very high0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-81.8131.4170.9-173.368.4000108.9M82 F84 I95 G144 M147 A148 I151 A153 G155 Y156 L157M82-L114 HydrophobicContact CB-CD1 4.45Å; M82-L114 HydrophobicContact CG-CD1 4.43Å; M82-L114 CarbonylContact O-C 3.48Å; M82-L114 WeakPolarHBondContact O-CA 3.39Å; M82-L114 WeakPolarHBondContact O-CD1 3.3Å; F84-L114 HydrophobicContact CD1-CD1 4.02Å; F84-L114 HydrophobicContact CD1-CG 4.19Å; F84-L114 HydrophobicContact CE1-CD1 4.37Å; F84-L114 HydrophobicContact CE1-CD2 4.15Å; F84-L114 HydrophobicContact CE1-CG 4.04Å; I95-L114 HydrophobicContact CD1-CD1 3.81Å; I95-L114 HydrophobicContact CG1-CD1 4.08Å; I95-L114 HydrophobicContact CG2-CD1 3.89Å; L114-G144 WeakPolarHBondContact CD2-O 3.28Å; L114-M147 HydrophobicContact CD2-CB 3.92Å; L114-M147 HydrophobicContact CD2-CG 3.97Å; L114-A148 HydrophobicContact CB-CB 4.17Å; L114-A148 HydrophobicContact CD2-CB 3.87Å; L114-I151 HydrophobicContact CD1-CD1 4.27Å; L114-A153 HydrophobicContact CB-CB 4.29Å; L114-G155 PolarHBondContact N-O 3.43Å; L114-Y156 HydrophobicContact CB-CD2 4.14Å; L114-Y156 HydrophobicContact CD2-CD2 4.09Å; L114-Y156 HydrophobicContact CD2-CE2 4.49Å; L114-Y156 HydrophobicContact CG-CD2 4.09Å; L114-Y156 WeakPolarHBondContact O-CA 3.27Å; L114-Y156 WeakPolarHBondContact O-CD2 3.46Å; L114-L157 PolarHBondContact O-N 2.95Å; L114-L157 VanDerWaalsContact O-N 3.13Å
115V99Very high98Very high0 Ų050.5 Ų50.50%025%0.253CS..EExtended strand (participates in β ladder)trans-126.5121-177.2-174.20000110.6L21 L81 M82 C83 F84 I113 N117 L157 V170L21-V115 HydrophobicContact CD2-CG1 4.22Å; L81-V115 HydrophobicContact CD2-CG2 3.98Å; M82-V115 PolarHBondContact O-N 2.87Å; C83-V115 WeakPolarHBondContact CA-O 3.35Å; F84-V115 WeakPolarHBondContact CD1-O 2.97Å; F84-V115 PolarHBondContact N-O 3.01Å; I113-V115 HydrophobicContact CG2-CG2 4.07Å; V115-N117 WeakPolarHBondContact CG1-OD1 3.35Å; V115-L157 WeakPolarHBondContact CA-O 3.22Å; V115-V170 HydrophobicContact CG1-CG1 4.39Å; V115-V170 HydrophobicContact CG1-CG2 3.98Å; V115-V170 HydrophobicContact CG2-CG1 3.78Å; V115-V170 HydrophobicContact CG2-CG2 4.37Å
116G99Very high98Very high0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-87.8102.3168.100000110.6F84 L157 E158 C159F84-G116 VanDerWaalsContact CZ-CA 3.42Å; G116-L157 PolarHBondContact N-O 2.92Å; G116-E158 VanDerWaalsContact O-CA 3.27Å; G116-E158 WeakPolarHBondContact O-CA 3.2Å; G116-C159 PolarHBondContact O-N 2.94Å
117N98.9Very high98Very high4 Ų445.4 Ų45.42%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-80.3166.4178.4-73.3-24.4000112.2C16 F84 I86 V115 K119 C159C16-N117 WeakPolarHBondContact O-CB 3.33Å; C16-N117 PolarHBondContact O-ND2 3.13Å; F84-N117 WeakPolarHBondContact O-CB 3.37Å; F84-N117 PolarHBondContact O-N 2.84Å; I86-N117 WeakPolarHBondContact CB-O 3.25Å; I86-N117 WeakPolarHBondContact CG1-O 3.24Å; I86-N117 PolarHBondContact N-O 2.88Å; V115-N117 WeakPolarHBondContact CG1-OD1 3.35Å; N117-K119 VanDerWaalsContact C-N 3.33Å; N117-K119 PolarHBondContact O-N 2.87Å; N117-C159 CarbonylContact C-O 3.5Å; N117-C159 PolarHBondContact OD1-SG 2.82Å; N117-C159 VanDerWaalsContact OD1-SG 3.38Å
118K98.7Very high98.1Very high52 Ų5249 Ų4923%0.22624%0.244CC..  trans58.141.8176.2-46.5-170.5-154.7152.90113.1A15 S85 D87 D120 L121 C159A15-K118 VanDerWaalsContact O-CE 3.27Å; A15-K118 WeakPolarHBondContact O-CE 3.18Å; A15-K118 PolarHBondContact O-NZ 3.26Å; S85-K118 WeakPolarHBondContact OG-CD 3.17Å; S85-K118 WeakPolarHBondContact OG-CE 3.39Å; S85-K118 WeakPolarHBondContact OG-CG 3.42Å; S85-K118 PolarHBondContact OG-NZ 3.42Å; S85-K118 VanDerWaalsContact OG-NZ 3.13Å; D87-K118 WeakPolarHBondContact OD1-CD 3.37Å; D87-K118 IonicContact OD1-NZ 3.6Å; D87-K118 PolarHBondContact OD1-NZ 3.25Å; D87-K118 VanDerWaalsContact OD1-NZ 3.12Å; D87-K118 IonicContact OD2-NZ 3.38Å; D87-K118 PolarHBondContact OD2-NZ 2.57Å; K118-D120 PolarHBondContact O-N 3.48Å; K118-D120 VanDerWaalsContact O-N 3.13Å; K118-L121 HydrophobicContact CB-CD1 3.87Å; K118-L121 HydrophobicContact CB-CG 4.15Å; K118-L121 HydrophobicContact CD-CD1 3.76Å; K118-L121 HydrophobicContact CG-CD1 4.45Å; K118-L121 WeakPolarHBondContact O-CB 3.28Å; K118-L121 PolarHBondContact O-N 3.46Å; K118-C159 PolarHBondContact N-O 3.14Å; K118-C159 VanDerWaalsContact N-O 3.09Å
119K98.9Very high98.3Very high59 Ų5952.1 Ų52.126%0.25724%0.244SC..G310 helixtrans-53.4-32.3179.2-171.3-172.3-178.2-171.10113.8I86 N117 L121 R122 E158 C159 E165I86-K119 VanDerWaalsContact CD1-CA 3.45Å; I86-K119 HydrophobicContact CD1-CB 3.82Å; I86-K119 HydrophobicContact CD1-CG 4.13Å; N117-K119 VanDerWaalsContact C-N 3.33Å; N117-K119 PolarHBondContact O-N 2.87Å; K119-L121 PolarHBondContact O-N 2.89Å; K119-R122 WeakPolarHBondContact O-CB 3.08Å; K119-R122 PolarHBondContact O-N 2.83Å; K119-E158 HydrophobicContact CB-CB 4.48Å; K119-E158 HydrophobicContact CD-CB 3.91Å; K119-E158 HydrophobicContact CG-CB 4.23Å; K119-C159 WeakPolarHBondContact CB-O 3.22Å; K119-C159 PolarHBondContact N-O 3.31Å; K119-E165 IonicContact NZ-OE1 2.7Å; K119-E165 PolarHBondContact NZ-OE1 2.64Å
120D98.5Very high98.5Very high46 Ų4648.8 Ų48.825%0.24622%0.224CC..G310 helixtrans-57.5-28175.957.1-66000113.1K118 R122 S160 K162 T163K118-D120 PolarHBondContact O-N 3.48Å; K118-D120 VanDerWaalsContact O-N 3.13Å; D120-R122 VanDerWaalsContact C-N 3.34Å; D120-R122 PolarHBondContact O-N 2.96Å; D120-S160 VanDerWaalsContact CG-OG 3.24Å; D120-S160 WeakPolarHBondContact OD1-CB 3.38Å; D120-S160 PolarHBondContact OD1-OG 3.41Å; D120-K162 WeakPolarHBondContact OD2-CD 3.34Å; D120-T163 HydrophobicContact CB-CG2 4Å
121L98.6Very high98.5Very high28 Ų2848.4 Ų48.415%0.14722%0.221CC..G310 helixtrans-81.1-8.6-177.9-59.4-177.2000114.1D87 K118 K119 Q123 D124 T127D87-L121 HydrophobicContact CB-CB 4.04Å; D87-L121 HydrophobicContact CB-CD1 3.75Å; D87-L121 VanDerWaalsContact OD2-CD1 3.28Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.48Å; K118-L121 HydrophobicContact CB-CD1 3.87Å; K118-L121 HydrophobicContact CB-CG 4.15Å; K118-L121 HydrophobicContact CD-CD1 3.76Å; K118-L121 HydrophobicContact CG-CD1 4.45Å; K118-L121 WeakPolarHBondContact O-CB 3.28Å; K118-L121 PolarHBondContact O-N 3.46Å; K119-L121 PolarHBondContact O-N 2.89Å; L121-Q123 PolarHBondContact O-N 3.43Å; L121-D124 HydrophobicContact CD2-CB 4.07Å; L121-D124 PolarHBondContact O-N 3.4Å; L121-T127 HydrophobicContact CB-CG2 4.23Å
122R98.5Very high98.5Very high35 Ų3550.3 Ų50.313%0.13224%0.238CC..G310 helixtrans-60.4-35.8177.8-173.3174.5-69.5130.6-5112.9I86 K119 D120 R128 P138 V139 S141 E158I86-R122 VanDerWaalsContact CD1-NH2 3.32Å; I86-R122 HydrophobicContact CG2-CB 3.86Å; I86-R122 HydrophobicContact CG2-CG 4.39Å; K119-R122 WeakPolarHBondContact O-CB 3.08Å; K119-R122 PolarHBondContact O-N 2.83Å; D120-R122 VanDerWaalsContact C-N 3.34Å; D120-R122 PolarHBondContact O-N 2.96Å; R122-R128 PolarHBondContact O-NE 3.36Å; R122-R128 PolarHBondContact O-NH2 3.21Å; R122-P138 HydrophobicContact CG-CB 4.25Å; R122-V139 PolarHBondContact NE-O 2.98Å; R122-V139 PolarHBondContact NH2-O 3.16Å; R122-S141 PolarHBondContact NH1-OG 2.97Å; R122-E158 IonicContact CZ-OE1 2.87Å; R122-E158 IonicContact CZ-OE2 3.35Å; R122-E158 VanDerWaalsContact CZ-OE2 3.29Å; R122-E158 IonicContact NH1-OE1 3.15Å; R122-E158 IonicContact NH1-OE2 3.89Å; R122-E158 PolarHBondContact NH1-OE2 3.44Å; R122-E158 IonicContact NH2-OE1 2.93Å; R122-E158 PolarHBondContact NH2-OE1 3.49Å; R122-E158 IonicContact NH2-OE2 3.94Å; R122-E158 PolarHBondContact NH2-OE2 2.8Å
123Q97.1Very high98.5Very high129 Ų12956.3 Ų56.360%0.60326%0.264SS*.G310 helixtrans-104.65.6-179.1-57.2-65.4-24.400111.9L121 E125 R128L121-Q123 PolarHBondContact O-N 3.43Å; Q123-E125 PolarHBondContact O-N 3.5Å; Q123-R128 VanDerWaalsContact OE1-CZ 3.31Å
124D98.4Very high98.4Very high62 Ų6263 Ų6333%0.33230%0.297SS..  trans-76.4121.4179.3-177.680.9000110.6L121 H126 T127 R128L121-D124 HydrophobicContact CD2-CB 4.07Å; L121-D124 PolarHBondContact O-N 3.4Å; D124-H126 VanDerWaalsContact C-N 3.27Å; D124-H126 PolarHBondContact O-N 3.23Å; D124-H126 WeakPolarHBondContact OD2-CA 3.4Å; D124-H126 VanDerWaalsContact OD2-CB 3.27Å; D124-H126 WeakPolarHBondContact OD2-CB 3.44Å; D124-H126 PolarHBondContact OD2-N 2.53Å; D124-T127 PolarHBondContact O-N 2.8Å; D124-T127 PolarHBondContact OD2-N 3.22Å; D124-T127 PolarHBondContact OD2-OG1 3.13Å; D124-R128 WeakPolarHBondContact O-CB 3.48Å; D124-R128 WeakPolarHBondContact O-CG 3.37Å; D124-R128 PolarHBondContact O-N 2.8Å
125E98.2Very high98.3Very high110 Ų11072.7 Ų72.751%0.51434%0.339SS..Hα-helixtrans-68.4-25.3-176.3-69.8-60.2130.300112.8Q123 R128 R129Q123-E125 PolarHBondContact O-N 3.5Å; E125-R128 IonicContact OE1-NH1 3.22Å; E125-R128 PolarHBondContact OE1-NH1 3.31Å; E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 VanDerWaalsContact O-CG 3.22Å; E125-R129 WeakPolarHBondContact O-CG 3.28Å; E125-R129 PolarHBondContact O-N 3.11Å; E125-R129 PolarHBondContact O-NE 2.86Å
126H98.4Very high98.2Very high107 Ų10775.2 Ų75.250%0.49535%0.351SS..Hα-helixtrans-74-50.5173.6178.357.1000110.5D124 R128 R129 E130D124-H126 VanDerWaalsContact C-N 3.27Å; D124-H126 PolarHBondContact O-N 3.23Å; D124-H126 WeakPolarHBondContact OD2-CA 3.4Å; D124-H126 VanDerWaalsContact OD2-CB 3.27Å; D124-H126 WeakPolarHBondContact OD2-CB 3.44Å; D124-H126 PolarHBondContact OD2-N 2.53Å; H126-R128 VanDerWaalsContact C-N 3.31Å; H126-R128 PolarHBondContact O-N 2.91Å; H126-R129 PolarHBondContact O-N 3.02Å; H126-R129 VanDerWaalsContact O-N 3.12Å; H126-E130 IonicContact CE1-OE1 3.25Å; H126-E130 PolarHBondContact CE1-OE1 3.33Å; H126-E130 IonicContact ND1-OE1 2.86Å; H126-E130 WeakPolarHBondContact O-CG 3.2Å; H126-E130 PolarHBondContact O-N 2.85Å
127T98.5Very high98.2Very high18 Ų1882.4 Ų82.411%0.1138%0.384CS..Hα-helixtrans-53.2-47.3175-65.10000111.7D87 L121 D124 R129 E130 L131 P138D87-T127 HydrophobicContact CB-CG2 3.59Å; L121-T127 HydrophobicContact CB-CG2 4.23Å; D124-T127 PolarHBondContact O-N 2.8Å; D124-T127 PolarHBondContact OD2-N 3.22Å; D124-T127 PolarHBondContact OD2-OG1 3.13Å; T127-R129 PolarHBondContact O-N 2.7Å; T127-E130 PolarHBondContact O-N 2.87Å; T127-L131 HydrophobicContact CG2-CD1 3.89Å; T127-L131 WeakPolarHBondContact O-CG 3.05Å; T127-L131 PolarHBondContact O-N 3.22Å; T127-P138 HydrophobicContact CG2-CG 4.38Å
128R98.6Very high98.2Very high83 Ų8382.8 Ų82.831%0.31339%0.387SS..Hα-helixtrans-59.8-44177.4-75.2173.7169-173.2-8.3113R122 Q123 D124 E125 H126 A132 P138R122-R128 PolarHBondContact O-NE 3.36Å; R122-R128 PolarHBondContact O-NH2 3.21Å; Q123-R128 VanDerWaalsContact OE1-CZ 3.31Å; D124-R128 WeakPolarHBondContact O-CB 3.48Å; D124-R128 WeakPolarHBondContact O-CG 3.37Å; D124-R128 PolarHBondContact O-N 2.8Å; E125-R128 IonicContact OE1-NH1 3.22Å; E125-R128 PolarHBondContact OE1-NH1 3.31Å; H126-R128 VanDerWaalsContact C-N 3.31Å; H126-R128 PolarHBondContact O-N 2.91Å; R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.49Å; R128-A132 PolarHBondContact O-N 3.1Å; R128-P138 HydrophobicContact CG-CG 3.91Å
129R98.4Very high98.2Very high154 Ų15480.5 Ų80.558%0.58138%0.378SS*.Hα-helixtrans-65.4-39.9178.1-77.4-178.8-64179.13.5112.2E125 H126 T127 K133E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 VanDerWaalsContact O-CG 3.22Å; E125-R129 WeakPolarHBondContact O-CG 3.28Å; E125-R129 PolarHBondContact O-N 3.11Å; E125-R129 PolarHBondContact O-NE 2.86Å; H126-R129 PolarHBondContact O-N 3.02Å; H126-R129 VanDerWaalsContact O-N 3.12Å; T127-R129 PolarHBondContact O-N 2.7Å; R129-K133 WeakPolarHBondContact O-CG 3.42Å; R129-K133 PolarHBondContact O-N 3.38Å
130E98.1Very high98.2Very high78 Ų7883.9 Ų83.936%0.36439%0.389SS..Hα-helixtrans-67.1-45.2177.6-65.8-51.5126.300111.8H126 T127 A132 K133H126-E130 IonicContact CE1-OE1 3.25Å; H126-E130 PolarHBondContact CE1-OE1 3.33Å; H126-E130 IonicContact ND1-OE1 2.86Å; H126-E130 WeakPolarHBondContact O-CG 3.2Å; H126-E130 PolarHBondContact O-N 2.85Å; T127-E130 PolarHBondContact O-N 2.87Å; E130-A132 VanDerWaalsContact C-N 3.33Å; E130-A132 PolarHBondContact O-N 2.74Å; E130-K133 WeakPolarHBondContact O-CB 3.41Å; E130-K133 PolarHBondContact O-N 3.01Å; E130-K133 WeakPolarHBondContact OE1-CE 3.48Å; E130-K133 IonicContact OE1-NZ 3.02Å; E130-K133 PolarHBondContact OE1-NZ 2.67Å; E130-K133 WeakPolarHBondContact OE2-CE 3.38Å; E130-K133 IonicContact OE2-NZ 3.29Å; E130-K133 PolarHBondContact OE2-NZ 3.22Å
131L98.4Very high98.2Very high17 Ų1783.8 Ų83.89%0.08939%0.392CS..Hα-helixtrans-63.4-38.7176-72.5171000112.2P89 T127 K133 M134 K135 Q136 P138P89-L131 HydrophobicContact CG-CD2 4.44Å; T127-L131 HydrophobicContact CG2-CD1 3.89Å; T127-L131 WeakPolarHBondContact O-CG 3.05Å; T127-L131 PolarHBondContact O-N 3.22Å; L131-K133 PolarHBondContact O-N 2.79Å; L131-M134 CarbonylContact O-C 3.45Å; L131-M134 WeakPolarHBondContact O-CA 3.37Å; L131-M134 PolarHBondContact O-N 3.46Å; L131-K135 PolarHBondContact O-N 3.02Å; L131-Q136 CarbonylContact C-O 3.53Å; L131-Q136 HydrophobicContact CB-CB 4.08Å; L131-Q136 WeakPolarHBondContact CB-O 3.49Å; L131-Q136 HydrophobicContact CD2-CB 3.98Å; L131-Q136 PolarHBondContact O-N 3.5Å; L131-P138 HydrophobicContact CD1-CB 4.36Å; L131-P138 HydrophobicContact CD1-CG 3.82Å
132A98Very high98.2Very high62 Ų6288 Ų8851%0.51241%0.411SS..Hα-helixtrans-61-29.5177.800000113.1R128 E130 M134 K135 Q136R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.49Å; R128-A132 PolarHBondContact O-N 3.1Å; E130-A132 VanDerWaalsContact C-N 3.33Å; E130-A132 PolarHBondContact O-N 2.74Å; A132-M134 PolarHBondContact O-N 3.47Å; A132-K135 PolarHBondContact O-N 3.25Å; A132-Q136 PolarHBondContact N-O 2.96Å
133K98.1Very high98.2Very high139 Ų13989.7 Ų89.760%0.60442%0.42SS*.Hα-helixtrans-60.7-30172.9-64.9172.7-169.7171.30112.1R129 E130 L131R129-K133 WeakPolarHBondContact O-CG 3.42Å; R129-K133 PolarHBondContact O-N 3.38Å; E130-K133 WeakPolarHBondContact O-CB 3.41Å; E130-K133 PolarHBondContact O-N 3.01Å; E130-K133 WeakPolarHBondContact OE1-CE 3.48Å; E130-K133 IonicContact OE1-NZ 3.02Å; E130-K133 PolarHBondContact OE1-NZ 2.67Å; E130-K133 WeakPolarHBondContact OE2-CE 3.38Å; E130-K133 IonicContact OE2-NZ 3.29Å; E130-K133 PolarHBondContact OE2-NZ 3.22Å; L131-K133 PolarHBondContact O-N 2.79Å
134M96.4Very high98.3Very high139 Ų13983.5 Ų83.569%0.68539%0.391SS*.THydrogen-bonded Turntrans-98.911.1177-59.1-55.2-65.200112.7L131 A132 Q136L131-M134 CarbonylContact O-C 3.45Å; L131-M134 WeakPolarHBondContact O-CA 3.37Å; L131-M134 PolarHBondContact O-N 3.46Å; A132-M134 PolarHBondContact O-N 3.47Å; M134-Q136 PolarHBondContact O-N 3.44Å
135K97.4Very high98.3Very high204 Ų20488 Ų8889%0.88740%0.404SS*.THydrogen-bonded Turntrans57.231.8-174.9-52.7178.5-179.4177.60113.4L131 A132L131-K135 PolarHBondContact O-N 3.02Å; A132-K135 PolarHBondContact O-N 3.25Å
136Q98.1Very high98.4Very high54 Ų5487.6 Ų87.625%0.25241%0.405SS..  trans-110.5163.9175.9-73.7-175.7-25.600110.4P89 D90 L131 A132 M134P89-Q136 HydrophobicContact CG-CB 4.23Å; P89-Q136 HydrophobicContact CG-CG 4.48Å; D90-Q136 PolarHBondContact OD1-NE2 3.12Å; L131-Q136 CarbonylContact C-O 3.53Å; L131-Q136 HydrophobicContact CB-CB 4.08Å; L131-Q136 WeakPolarHBondContact CB-O 3.49Å; L131-Q136 HydrophobicContact CD2-CB 3.98Å; L131-Q136 PolarHBondContact O-N 3.5Å; A132-Q136 PolarHBondContact N-O 2.96Å; M134-Q136 PolarHBondContact O-N 3.44Å
137E98.3Very high98.4Very high150 Ų15083.4 Ų83.470%0.70139%0.385SS*.  trans-134.7156.9173.1-66.1-174.8172.600109.4P89P89-E137 WeakPolarHBondContact CG-O 3.19Å
138P98.8Very high98.4Very high13 Ų1382.7 Ų82.78%0.08438%0.382CS..PPolyproline II helixtrans-57.5142.3173.6-22.432000111.8I86 R122 T127 R128 L131 R140I86-P138 HydrophobicContact CG2-CB 4.14Å; I86-P138 CarbonylContact O-C 3.15Å; I86-P138 VanDerWaalsContact O-CA 3.28Å; I86-P138 WeakPolarHBondContact O-CA 3.26Å; R122-P138 HydrophobicContact CG-CB 4.25Å; T127-P138 HydrophobicContact CG2-CG 4.38Å; R128-P138 HydrophobicContact CG-CG 3.91Å; L131-P138 HydrophobicContact CD1-CB 4.36Å; L131-P138 HydrophobicContact CD1-CG 3.82Å; P138-R140 PolarHBondContact O-N 2.89Å
139V98.8Very high98.4Very high4 Ų484.1 Ų84.12%0.02440%0.395CS..PPolyproline II helixtrans-58.6126.3-177.8177.70000111.2F84 I86 P89 L92 R122 E143F84-V139 HydrophobicContact CD2-CG2 4.43Å; F84-V139 HydrophobicContact CE2-CB 4.01Å; F84-V139 HydrophobicContact CE2-CG1 3.69Å; F84-V139 HydrophobicContact CE2-CG2 4.18Å; F84-V139 HydrophobicContact CZ-CG1 4.17Å; I86-V139 PolarHBondContact O-N 3.21Å; P89-V139 HydrophobicContact CB-CG2 4.44Å; P89-V139 HydrophobicContact CG-CG2 4.41Å; L92-V139 HydrophobicContact CB-CG2 4.36Å; L92-V139 HydrophobicContact CD2-CG1 3.75Å; L92-V139 HydrophobicContact CD2-CG2 4.37Å; R122-V139 PolarHBondContact NE-O 2.98Å; R122-V139 PolarHBondContact NH2-O 3.16Å; V139-E143 HydrophobicContact CG1-CB 4.03Å
140R98.7Very high98.4Very high130 Ų13085 Ų8549%0.49140%0.399SS..PPolyproline II helixtrans-77.4155.7175.7-61.1173.4-71.1170.2-2.2111.1P138 E142 E143 G144P138-R140 PolarHBondContact O-N 2.89Å; R140-E142 VanDerWaalsContact C-N 3.25Å; R140-E142 PolarHBondContact O-N 3.32Å; R140-E143 HydrophobicContact CB-CG 4.27Å; R140-E143 VanDerWaalsContact CB-OE2 3.22Å; R140-E143 WeakPolarHBondContact CB-OE2 3.41Å; R140-E143 WeakPolarHBondContact CG-OE2 3.21Å; R140-E143 IonicContact CZ-OE1 3.86Å; R140-E143 IonicContact CZ-OE2 2.84Å; R140-E143 PolarHBondContact N-OE2 3.38Å; R140-E143 VanDerWaalsContact NE-CD 3.34Å; R140-E143 IonicContact NE-OE1 2.66Å; R140-E143 PolarHBondContact NE-OE1 3.44Å; R140-E143 IonicContact NE-OE2 3.48Å; R140-E143 PolarHBondContact NE-OE2 2.88Å; R140-E143 VanDerWaalsContact NE-OE2 3.08Å; R140-E143 IonicContact NH2-OE1 2.69Å; R140-E143 PolarHBondContact NH2-OE1 2.76Å; R140-E143 IonicContact NH2-OE2 3.48Å; R140-E143 PolarHBondContact O-N 3.13Å; R140-E143 VanDerWaalsContact O-N 3.14Å; R140-G144 PolarHBondContact O-N 3.37Å
141S98.7Very high98.4Very high43 Ų4381.5 Ų81.530%0.30138%0.383SS..Hα-helixtrans-65.3-28.9-179.5-62.80000113.3R122 R145 E158R122-S141 PolarHBondContact NH1-OG 2.97Å; S141-R145 WeakPolarHBondContact O-CB 3.47Å; S141-R145 PolarHBondContact O-N 3.14Å; S141-E158 WeakPolarHBondContact CA-OE1 3.3Å; S141-E158 VanDerWaalsContact CB-OE1 3.28Å; S141-E158 WeakPolarHBondContact CB-OE1 3.45Å; S141-E158 PolarHBondContact OG-OE1 3.08Å; S141-E158 PolarHBondContact OG-OE2 3.11Å
142E98.7Very high98.4Very high118 Ų11885.4 Ų85.455%0.55141%0.411SS*.Hα-helixtrans-66.2-41.1172.9-60.690.5-16500111.5R140 G144 R145 D146R140-E142 VanDerWaalsContact C-N 3.25Å; R140-E142 PolarHBondContact O-N 3.32Å; E142-G144 PolarHBondContact O-N 3.19Å; E142-R145 WeakPolarHBondContact O-CB 3.16Å; E142-R145 PolarHBondContact O-N 2.95Å; E142-R145 VanDerWaalsContact O-N 3.11Å; E142-D146 WeakPolarHBondContact O-CB 3.43Å; E142-D146 VanDerWaalsContact O-CG 3.28Å; E142-D146 PolarHBondContact O-N 3.45Å
143E98.8Very high98.4Very high69 Ų6983.4 Ų83.432%0.32239%0.394SS..Hα-helixtrans-64.3-42.6-177.4-66.4170.2133.700111.8L92 V139 R140 R145 D146 M147L92-E143 HydrophobicContact CD2-CB 4.14Å; V139-E143 HydrophobicContact CG1-CB 4.03Å; R140-E143 HydrophobicContact CB-CG 4.27Å; R140-E143 VanDerWaalsContact CB-OE2 3.22Å; R140-E143 WeakPolarHBondContact CB-OE2 3.41Å; R140-E143 WeakPolarHBondContact CG-OE2 3.21Å; R140-E143 IonicContact CZ-OE1 3.86Å; R140-E143 IonicContact CZ-OE2 2.84Å; R140-E143 PolarHBondContact N-OE2 3.38Å; R140-E143 VanDerWaalsContact NE-CD 3.34Å; R140-E143 IonicContact NE-OE1 2.66Å; R140-E143 PolarHBondContact NE-OE1 3.44Å; R140-E143 IonicContact NE-OE2 3.48Å; R140-E143 PolarHBondContact NE-OE2 2.88Å; R140-E143 VanDerWaalsContact NE-OE2 3.08Å; R140-E143 IonicContact NH2-OE1 2.69Å; R140-E143 PolarHBondContact NH2-OE1 2.76Å; R140-E143 IonicContact NH2-OE2 3.48Å; R140-E143 PolarHBondContact O-N 3.13Å; R140-E143 VanDerWaalsContact O-N 3.14Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 2.88Å; E143-D146 PolarHBondContact O-N 3.19Å; E143-M147 WeakPolarHBondContact O-CB 2.99Å; E143-M147 PolarHBondContact O-N 3.18Å
144G98.9Very high98.4Very high0 Ų081 Ų810%038%0.384CS..Hα-helixtrans-65-36.9173.400000112.8L114 R140 E142 M147 A148L114-G144 WeakPolarHBondContact CD2-O 3.28Å; R140-G144 PolarHBondContact O-N 3.37Å; E142-G144 PolarHBondContact O-N 3.19Å; G144-M147 PolarHBondContact O-N 2.47Å; G144-A148 PolarHBondContact O-N 3.13Å
145R98.8Very high98.5Very high157 Ų15775.1 Ų75.159%0.59236%0.359SS*.Hα-helixtrans-68-43.4176.3-174178.3-61.1-139.5-1.9111.9S141 E142 E143 M147 A148 N149 Y156S141-R145 WeakPolarHBondContact O-CB 3.47Å; S141-R145 PolarHBondContact O-N 3.14Å; E142-R145 WeakPolarHBondContact O-CB 3.16Å; E142-R145 PolarHBondContact O-N 2.95Å; E142-R145 VanDerWaalsContact O-N 3.11Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 2.88Å; R145-M147 VanDerWaalsContact C-N 3.28Å; R145-M147 PolarHBondContact O-N 2.8Å; R145-A148 WeakPolarHBondContact O-CB 3.41Å; R145-A148 PolarHBondContact O-N 3.46Å; R145-N149 PolarHBondContact O-N 3.25Å; R145-N149 PolarHBondContact O-ND2 3.41Å; R145-Y156 HydrophobicContact CB-CD1 4.01Å; R145-Y156 HydrophobicContact CB-CE1 4.4Å
146D98.9Very high98.6Very high100 Ų10067 Ų6754%0.53532%0.323SS..Hα-helixtrans-62.9-39.6176.4-71.5-16.2000110.7E142 E143 N149 R150E142-D146 WeakPolarHBondContact O-CB 3.43Å; E142-D146 VanDerWaalsContact O-CG 3.28Å; E142-D146 PolarHBondContact O-N 3.45Å; E143-D146 PolarHBondContact O-N 3.19Å; D146-N149 PolarHBondContact O-N 3.18Å; D146-R150 WeakPolarHBondContact O-CB 3.48Å; D146-R150 PolarHBondContact O-N 2.7Å
147M98.9Very high98.7Very high19 Ų1966.5 Ų66.59%0.09432%0.322CS..Hα-helixtrans-63.8-44.3173.9-170.957.776.100112.3L92 I95 P96 L114 E143 G144 R145 N149 R150 I151L92-M147 HydrophobicContact CD1-CB 3.77Å; L92-M147 HydrophobicContact CD1-CE 4.43Å; L92-M147 HydrophobicContact CD1-CG 3.75Å; L92-M147 HydrophobicContact CG-CB 4.46Å; L92-M147 HydrophobicContact CG-CE 4.09Å; L92-M147 HydrophobicContact CG-CG 4.41Å; I95-M147 HydrophobicContact CB-CG 4.21Å; I95-M147 HydrophobicContact CG2-CG 3.86Å; I95-M147 HydrophobicContact CG2-SD 4.32Å; P96-M147 HydrophobicContact CB-SD 4.23Å; P96-M147 WeakPolarHBondContact CD-SD 3.28Å; P96-M147 HydrophobicContact CG-CE 3.78Å; P96-M147 HydrophobicContact CG-SD 3.74Å; L114-M147 HydrophobicContact CD2-CB 3.92Å; L114-M147 HydrophobicContact CD2-CG 3.97Å; E143-M147 WeakPolarHBondContact O-CB 2.99Å; E143-M147 PolarHBondContact O-N 3.18Å; G144-M147 PolarHBondContact O-N 2.47Å; R145-M147 VanDerWaalsContact C-N 3.28Å; R145-M147 PolarHBondContact O-N 2.8Å; M147-N149 VanDerWaalsContact C-N 3.29Å; M147-N149 PolarHBondContact O-N 2.95Å; M147-R150 WeakPolarHBondContact O-CB 3.16Å; M147-R150 PolarHBondContact O-N 2.78Å; M147-R150 VanDerWaalsContact O-N 3.12Å; M147-R150 HydrophobicContact SD-CB 4.38Å; M147-I151 WeakPolarHBondContact O-CG1 3.34Å; M147-I151 PolarHBondContact O-N 3.03Å; M147-I151 HydrophobicContact SD-CG2 4.14Å
148A98.9Very high98.7Very high4 Ų460.5 Ų60.53%0.03329%0.294CS..Hα-helixtrans-58.8-42176.700000111.9L114 G144 R145 S152 A153 Y156L114-A148 HydrophobicContact CB-CB 4.17Å; L114-A148 HydrophobicContact CD2-CB 3.87Å; G144-A148 PolarHBondContact O-N 3.13Å; R145-A148 WeakPolarHBondContact O-CB 3.41Å; R145-A148 PolarHBondContact O-N 3.46Å; A148-S152 PolarHBondContact O-N 3.04Å; A148-S152 VanDerWaalsContact O-N 3.14Å; A148-A153 HydrophobicContact CB-CB 4.05Å; A148-A153 PolarHBondContact O-N 2.7Å; A148-Y156 HydrophobicContact CB-CG 4.32Å
149N98.8Very high98.7Very high112 Ų11259.9 Ų59.960%0.59929%0.29SS*.Hα-helixtrans-62.6-47.1173.2-68-30.2000111.3R145 D146 M147 I151 S152R145-N149 PolarHBondContact O-N 3.25Å; R145-N149 PolarHBondContact O-ND2 3.41Å; D146-N149 PolarHBondContact O-N 3.18Å; M147-N149 VanDerWaalsContact C-N 3.29Å; M147-N149 PolarHBondContact O-N 2.95Å; N149-I151 VanDerWaalsContact C-N 3.3Å; N149-I151 PolarHBondContact O-N 3.31Å; N149-S152 PolarHBondContact O-N 3.11Å; N149-S152 VanDerWaalsContact O-N 3.08Å
150R98.7Very high98.7Very high174 Ų17459.7 Ų59.766%0.65729%0.289SS*.Hα-helixtrans-57.1-40.6-179.8-179.7178.2176.9-173.8-2.8112.6D146 M147D146-R150 WeakPolarHBondContact O-CB 3.48Å; D146-R150 PolarHBondContact O-N 2.7Å; M147-R150 WeakPolarHBondContact O-CB 3.16Å; M147-R150 PolarHBondContact O-N 2.78Å; M147-R150 VanDerWaalsContact O-N 3.12Å; M147-R150 HydrophobicContact SD-CB 4.38Å
151I98.4Very high98.7Very high4 Ų454 Ų542%0.02127%0.27CS..Hα-helixtrans-88.4-5.4-179.671.8175.3000113.6M82 I95 P96 T100 K104 I112 L114 M147 N149 A153M82-I151 HydrophobicContact SD-CD1 3.96Å; I95-I151 HydrophobicContact CG2-CD1 3.79Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å; P96-I151 HydrophobicContact CB-CG2 4.33Å; T100-I151 HydrophobicContact CG2-CB 4.02Å; T100-I151 HydrophobicContact CG2-CG2 4.14Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.21Å; K104-I151 PolarHBondContact NZ-O 3.28Å; I112-I151 HydrophobicContact CG2-CD1 4.39Å; L114-I151 HydrophobicContact CD1-CD1 4.27Å; M147-I151 WeakPolarHBondContact O-CG1 3.34Å; M147-I151 PolarHBondContact O-N 3.03Å; M147-I151 HydrophobicContact SD-CG2 4.14Å; N149-I151 VanDerWaalsContact C-N 3.3Å; N149-I151 PolarHBondContact O-N 3.31Å; I151-A153 HydrophobicContact CD1-CB 4.17Å; I151-A153 HydrophobicContact CG1-CB 3.96Å
152S97.8Very high98.6Very high98 Ų9858.3 Ų58.369%0.68528%0.283SS*.THydrogen-bonded Turntrans60.444.8-171.9-46.20000112.7A148 N149A148-S152 PolarHBondContact O-N 3.04Å; A148-S152 VanDerWaalsContact O-N 3.14Å; N149-S152 PolarHBondContact O-N 3.11Å; N149-S152 VanDerWaalsContact O-N 3.08Å
153A98.7Very high98.6Very high20 Ų2056.3 Ų56.317%0.16528%0.279CS..  trans-64.1149.4172.100000110.5I112 L114 A148 I151 G155I112-A153 CarbonylContact O-C 3.56Å; I112-A153 WeakPolarHBondContact O-CA 3.39Å; I112-A153 WeakPolarHBondContact O-CB 3.44Å; L114-A153 HydrophobicContact CB-CB 4.29Å; A148-A153 HydrophobicContact CB-CB 4.05Å; A148-A153 PolarHBondContact O-N 2.7Å; I151-A153 HydrophobicContact CD1-CB 4.17Å; I151-A153 HydrophobicContact CG1-CB 3.96Å; A153-G155 PolarHBondContact O-N 3.3Å
154F98.2Very high98.6Very high89 Ų8957.5 Ų57.539%0.3928%0.283SS..SBendtrans-65.1-30.6173.3177.7-82.6000111.7P111 I112 I113 M173 A177P111-F154 HydrophobicContact CB-CB 4.09Å; P111-F154 HydrophobicContact CB-CD2 4.39Å; P111-F154 HydrophobicContact CB-CG 4.43Å; I112-F154 PolarHBondContact O-N 3.01Å; I113-F154 HydrophobicContact CD1-CB 3.9Å; I113-F154 HydrophobicContact CD1-CD1 3.55Å; I113-F154 HydrophobicContact CD1-CG 4.1Å; F154-M173 HydrophobicContact CD1-CG 4.36Å; F154-M173 HydrophobicContact CE1-CG 4.32Å; F154-A177 HydrophobicContact CD1-CB 3.67Å; F154-A177 HydrophobicContact CD2-CB 4.12Å; F154-A177 HydrophobicContact CE1-CB 3.75Å; F154-A177 HydrophobicContact CE2-CB 4.19Å; F154-A177 HydrophobicContact CG-CB 3.87Å; F154-A177 HydrophobicContact CZ-CB 4.01Å
155G98.5Very high98.6Very high15 Ų1561.9 Ų61.916%0.15530%0.304CS..EExtended strand (participates in β ladder)trans-168.8169.8175.100000112.6L114 A153L114-G155 PolarHBondContact N-O 3.43Å; A153-G155 PolarHBondContact O-N 3.3Å
156Y98.9Very high98.6Very high35 Ų3555.1 Ų55.114%0.13728%0.282CS..EExtended strand (participates in β ladder)trans-128.5132.5176.1174-122.7000110F84 L114 R145 A148 E158F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.93Å; F84-Y156 HydrophobicContact CZ-CE2 3.93Å; L114-Y156 HydrophobicContact CB-CD2 4.14Å; L114-Y156 HydrophobicContact CD2-CD2 4.09Å; L114-Y156 HydrophobicContact CD2-CE2 4.49Å; L114-Y156 HydrophobicContact CG-CD2 4.09Å; L114-Y156 WeakPolarHBondContact O-CA 3.27Å; L114-Y156 WeakPolarHBondContact O-CD2 3.46Å; R145-Y156 HydrophobicContact CB-CD1 4.01Å; R145-Y156 HydrophobicContact CB-CE1 4.4Å; A148-Y156 HydrophobicContact CB-CG 4.32Å; Y156-E158 HydrophobicContact CE1-CG 3.99Å; Y156-E158 HydrophobicContact CE2-CG 4.18Å; Y156-E158 VanDerWaalsContact CZ-CG 3.49Å; Y156-E158 VanDerWaalsContact OH-CD 3.26Å; Y156-E158 WeakPolarHBondContact OH-CG 3.36Å; Y156-E158 PolarHBondContact OH-OE1 3.32Å
157L98.9Very high98.6Very high42 Ų4250.7 Ų50.722%0.2226%0.259CS..EExtended strand (participates in β ladder)trans-139.5156.5173.5-72.2170.1000110.2L114 V115 G116 E169 V170 M173L114-L157 PolarHBondContact O-N 2.95Å; L114-L157 VanDerWaalsContact O-N 3.13Å; V115-L157 WeakPolarHBondContact CA-O 3.22Å; G116-L157 PolarHBondContact N-O 2.92Å; L157-E169 HydrophobicContact CD1-CB 4.36Å; L157-E169 WeakPolarHBondContact CD1-O 3.28Å; L157-V170 HydrophobicContact CB-CG2 3.84Å; L157-V170 HydrophobicContact CD1-CB 4.46Å; L157-V170 HydrophobicContact CD1-CG2 4.09Å; L157-M173 HydrophobicContact CD1-CB 3.75Å; L157-M173 HydrophobicContact CD1-CE 3.64Å; L157-M173 HydrophobicContact CD1-CG 4.33Å; L157-M173 HydrophobicContact CD1-SD 3.67Å; L157-M173 HydrophobicContact CD2-CE 3.99Å; L157-M173 HydrophobicContact CG-CE 3.69Å; L157-M173 HydrophobicContact CG-SD 3.92Å
158E98.9Very high98.5Very high24 Ų2456.9 Ų56.911%0.11228%0.281CS..EExtended strand (participates in β ladder)trans-120.7143.8172.8-63.4176.5177.400109.1I86 G116 K119 R122 S141 Y156I86-E158 HydrophobicContact CD1-CB 4.28Å; I86-E158 HydrophobicContact CD1-CG 4.17Å; G116-E158 VanDerWaalsContact O-CA 3.27Å; G116-E158 WeakPolarHBondContact O-CA 3.2Å; K119-E158 HydrophobicContact CB-CB 4.48Å; K119-E158 HydrophobicContact CD-CB 3.91Å; K119-E158 HydrophobicContact CG-CB 4.23Å; R122-E158 IonicContact CZ-OE1 2.87Å; R122-E158 IonicContact CZ-OE2 3.35Å; R122-E158 VanDerWaalsContact CZ-OE2 3.29Å; R122-E158 IonicContact NH1-OE1 3.15Å; R122-E158 IonicContact NH1-OE2 3.89Å; R122-E158 PolarHBondContact NH1-OE2 3.44Å; R122-E158 IonicContact NH2-OE1 2.93Å; R122-E158 PolarHBondContact NH2-OE1 3.49Å; R122-E158 IonicContact NH2-OE2 3.94Å; R122-E158 PolarHBondContact NH2-OE2 2.8Å; S141-E158 WeakPolarHBondContact CA-OE1 3.3Å; S141-E158 VanDerWaalsContact CB-OE1 3.28Å; S141-E158 WeakPolarHBondContact CB-OE1 3.45Å; S141-E158 PolarHBondContact OG-OE1 3.08Å; S141-E158 PolarHBondContact OG-OE2 3.11Å; Y156-E158 HydrophobicContact CE1-CG 3.99Å; Y156-E158 HydrophobicContact CE2-CG 4.18Å; Y156-E158 VanDerWaalsContact CZ-CG 3.49Å; Y156-E158 VanDerWaalsContact OH-CD 3.26Å; Y156-E158 WeakPolarHBondContact OH-CG 3.36Å; Y156-E158 PolarHBondContact OH-OE1 3.32Å
159C98.9Very high98.5Very high0 Ų061.4 Ų61.40%030%0.302CS..  trans-147.6163.9179.771.50000111.7G116 N117 K118 K119 E165 V167 V170G116-C159 PolarHBondContact O-N 2.94Å; N117-C159 CarbonylContact C-O 3.5Å; N117-C159 PolarHBondContact OD1-SG 2.82Å; N117-C159 VanDerWaalsContact OD1-SG 3.38Å; K118-C159 PolarHBondContact N-O 3.14Å; K118-C159 VanDerWaalsContact N-O 3.09Å; K119-C159 WeakPolarHBondContact CB-O 3.22Å; K119-C159 PolarHBondContact N-O 3.31Å; C159-E165 CarbonylContact C-O 3.53Å; C159-E165 WeakPolarHBondContact CA-O 3.27Å; C159-E165 VanDerWaalsContact CB-O 3.23Å; C159-E165 WeakPolarHBondContact CB-O 3.35Å; C159-V167 HydrophobicContact CB-CG2 4.44Å; C159-V170 HydrophobicContact CB-CG2 4.15Å
160S98.8Very high98.5Very high0 Ų056.1 Ų56.10%027%0.273CS..  trans-125.6113.71651740000108.7D120 K162 T163 K164 E165D120-S160 VanDerWaalsContact CG-OG 3.24Å; D120-S160 WeakPolarHBondContact OD1-CB 3.38Å; D120-S160 PolarHBondContact OD1-OG 3.41Å; S160-K162 PolarHBondContact O-N 3.29Å; S160-K162 PolarHBondContact OG-N 3.2Å; S160-T163 VanDerWaalsContact CB-OG1 3.24Å; S160-T163 WeakPolarHBondContact CB-OG1 3.5Å; S160-T163 PolarHBondContact O-N 2.95Å; S160-T163 PolarHBondContact OG-N 3.28Å; S160-T163 VanDerWaalsContact OG-N 3.13Å; S160-T163 PolarHBondContact OG-OG1 2.91Å; S160-K164 CarbonylContact O-C 3.47Å; S160-K164 WeakPolarHBondContact O-CA 3.48Å; S160-K164 PolarHBondContact O-N 3.46Å; S160-E165 PolarHBondContact N-O 3.27Å; S160-E165 PolarHBondContact O-N 2.8Å
161A98.6Very high98.5Very high11 Ų1147.8 Ų47.89%0.09124%0.242CC..THydrogen-bonded Turntrans-60.2-33.5169.500000111.1C20 V24 F30 K164C20-A161 HydrophobicContact CB-CB 3.93Å; V24-A161 HydrophobicContact CB-CB 4.36Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; V24-A161 WeakPolarHBondContact CG2-O 3.28Å; F30-A161 HydrophobicContact CD2-CB 4.01Å; F30-A161 HydrophobicContact CE2-CB 4Å; A161-K164 PolarHBondContact O-N 2.9Å
162K97.8Very high98.5Very high133 Ų13350 Ų5058%0.57825%0.252SS*.THydrogen-bonded Turntrans-66.7-43.5-178.3-173.1-179179.8-176.70112.5F30 D120 S160F30-K162 HydrophobicContact CD2-CB 4.23Å; F30-K162 HydrophobicContact CE2-CB 3.97Å; F30-K162 HydrophobicContact CZ-CB 4.2Å; D120-K162 WeakPolarHBondContact OD2-CD 3.34Å; S160-K162 PolarHBondContact O-N 3.29Å; S160-K162 PolarHBondContact OG-N 3.2Å
163T98Very high98.6Very high77 Ų7747.5 Ų47.547%0.47223%0.23SC..THydrogen-bonded Turntrans-95.2-4.3179.268.60000113.2D120 S160 E165D120-T163 HydrophobicContact CB-CG2 4Å; S160-T163 VanDerWaalsContact CB-OG1 3.24Å; S160-T163 WeakPolarHBondContact CB-OG1 3.5Å; S160-T163 PolarHBondContact O-N 2.95Å; S160-T163 PolarHBondContact OG-N 3.28Å; S160-T163 VanDerWaalsContact OG-N 3.13Å; S160-T163 PolarHBondContact OG-OG1 2.91Å; T163-E165 PolarHBondContact O-N 3.35Å; T163-E165 WeakPolarHBondContact OG1-CB 3.35Å; T163-E165 PolarHBondContact OG1-N 3.12Å
164K98.2Very high98.6Very high93 Ų9346.5 Ų46.540%0.40422%0.222SC..  trans64.53.8-170.9-50.5-176.8176.4-173.20114.7V24 D28 S160 A161 G166V24-K164 HydrophobicContact CG1-CG 3.96Å; D28-K164 WeakPolarHBondContact O-CE 3.17Å; D28-K164 PolarHBondContact O-NZ 3.38Å; D28-K164 WeakPolarHBondContact OD1-CE 3.44Å; D28-K164 IonicContact OD1-NZ 3.71Å; D28-K164 PolarHBondContact OD1-NZ 2.95Å; D28-K164 IonicContact OD2-NZ 3.11Å; D28-K164 PolarHBondContact OD2-NZ 3.25Å; S160-K164 CarbonylContact O-C 3.47Å; S160-K164 WeakPolarHBondContact O-CA 3.48Å; S160-K164 PolarHBondContact O-N 3.46Å; A161-K164 PolarHBondContact O-N 2.9Å; K164-G166 PolarHBondContact O-N 3.08Å
165E98.7Very high98.6Very high93 Ų9342.3 Ų42.344%0.43520%0.204SC..THydrogen-bonded Turntrans-63.7129.4178.2-173-169.4171.400111K119 C159 S160 T163 V167K119-E165 IonicContact NZ-OE1 2.7Å; K119-E165 PolarHBondContact NZ-OE1 2.64Å; C159-E165 CarbonylContact C-O 3.53Å; C159-E165 WeakPolarHBondContact CA-O 3.27Å; C159-E165 VanDerWaalsContact CB-O 3.23Å; C159-E165 WeakPolarHBondContact CB-O 3.35Å; S160-E165 PolarHBondContact N-O 3.27Å; S160-E165 PolarHBondContact O-N 2.8Å; T163-E165 PolarHBondContact O-N 3.35Å; T163-E165 WeakPolarHBondContact OG1-CB 3.35Å; T163-E165 PolarHBondContact OG1-N 3.12Å; E165-V167 PolarHBondContact O-N 3.32Å; E165-V167 VanDerWaalsContact O-N 3.11Å
166G98.7Very high98.5Very high14 Ų1445.6 Ų45.614%0.14421%0.211CC..THydrogen-bonded Turntrans74.6-6173.100000115.2K164 E169 V170K164-G166 PolarHBondContact O-N 3.08Å; G166-E169 WeakPolarHBondContact CA-OE2 3.47Å; G166-E169 PolarHBondContact O-N 3.17Å; G166-V170 WeakPolarHBondContact O-CG2 3.43Å; G166-V170 PolarHBondContact O-N 3.39Å
167V98.8Very high98.5Very high8 Ų844 Ų445%0.04821%0.205CC..Hα-helixtrans-61.9-50.4-174.9171.40000110.2L21 V24 F25 C159 E165 E169 V170 F171L21-V167 HydrophobicContact CD1-CB 4.31Å; L21-V167 HydrophobicContact CD1-CG1 3.93Å; L21-V167 HydrophobicContact CD1-CG2 3.98Å; V24-V167 HydrophobicContact CG1-CG1 4.28Å; V24-V167 HydrophobicContact CG1-CG2 4.23Å; F25-V167 HydrophobicContact CB-CG1 3.86Å; C159-V167 HydrophobicContact CB-CG2 4.44Å; E165-V167 PolarHBondContact O-N 3.32Å; E165-V167 VanDerWaalsContact O-N 3.11Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.3Å; V167-V170 WeakPolarHBondContact O-CB 3.48Å; V167-V170 PolarHBondContact O-N 3.03Å; V167-F171 HydrophobicContact CG1-CD2 4.31Å; V167-F171 HydrophobicContact CG1-CE2 4.12Å; V167-F171 WeakPolarHBondContact O-CD2 3.49Å; V167-F171 PolarHBondContact O-N 2.98Å
168R98Very high98.4Very high148 Ų14842 Ų4256%0.55820%0.195SC*.Hα-helixtrans-62.6-42.7-177.7-178173.3177.2140.74.2111.4V170 F171 E172R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 3.11Å; R168-F171 PolarHBondContact O-N 2.94Å; R168-F171 VanDerWaalsContact O-N 3.1Å; R168-E172 HydrophobicContact CG-CG 4.18Å; R168-E172 WeakPolarHBondContact CG-OE1 3.49Å; R168-E172 IonicContact CZ-OE1 3.77Å; R168-E172 IonicContact NE-OE1 2.78Å; R168-E172 PolarHBondContact NE-OE1 3.47Å; R168-E172 IonicContact NH2-OE1 3.03Å; R168-E172 WeakPolarHBondContact O-CG 3.32Å; R168-E172 PolarHBondContact O-N 3.25Å
169E98.8Very high98.2Very high100 Ų10042.7 Ų42.747%0.46720%0.199SC..Hα-helixtrans-60-37.5-179.6-65.382.7169.200111.9L157 G166 V167 E172 M173L157-E169 HydrophobicContact CD1-CB 4.36Å; L157-E169 WeakPolarHBondContact CD1-O 3.28Å; G166-E169 WeakPolarHBondContact CA-OE2 3.47Å; G166-E169 PolarHBondContact O-N 3.17Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.3Å; E169-E172 PolarHBondContact O-N 2.9Å; E169-M173 WeakPolarHBondContact O-CB 3.42Å; E169-M173 PolarHBondContact O-N 3.15Å
170V98.9Very high97.8Very high0 Ų048.6 Ų48.60%023%0.227CC..Hα-helixtrans-58.7-49.5173.6168.80000111L21 L81 V115 L157 C159 G166 V167 R168 M173 A174L21-V170 HydrophobicContact CD2-CG1 4.34Å; L81-V170 HydrophobicContact CD1-CG1 3.87Å; L81-V170 HydrophobicContact CD2-CG1 3.89Å; V115-V170 HydrophobicContact CG1-CG1 4.39Å; V115-V170 HydrophobicContact CG1-CG2 3.98Å; V115-V170 HydrophobicContact CG2-CG1 3.78Å; V115-V170 HydrophobicContact CG2-CG2 4.37Å; L157-V170 HydrophobicContact CB-CG2 3.84Å; L157-V170 HydrophobicContact CD1-CB 4.46Å; L157-V170 HydrophobicContact CD1-CG2 4.09Å; C159-V170 HydrophobicContact CB-CG2 4.15Å; G166-V170 WeakPolarHBondContact O-CG2 3.43Å; G166-V170 PolarHBondContact O-N 3.39Å; V167-V170 WeakPolarHBondContact O-CB 3.48Å; V167-V170 PolarHBondContact O-N 3.03Å; R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 3.11Å; V170-M173 PolarHBondContact O-N 2.75Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.34Å
171F98.8Very high96.9Very high0 Ų050.4 Ų50.40%024%0.238CC..Hα-helixtrans-74.4-30.5-178.6-68.7-83.6000113L8 L21 L22 F25 I46 L55 L57 L81 V167 R168 T175L8-F171 HydrophobicContact CD1-CD1 3.99Å; L8-F171 HydrophobicContact CD1-CE1 4.1Å; L21-F171 HydrophobicContact CD1-CE2 3.86Å; L21-F171 HydrophobicContact CD1-CZ 4.46Å; L21-F171 HydrophobicContact CG-CE2 3.94Å; L21-F171 HydrophobicContact CG-CZ 4.03Å; L22-F171 HydrophobicContact CD2-CE1 3.94Å; L22-F171 HydrophobicContact CD2-CZ 3.89Å; F25-F171 HydrophobicContact CB-CD2 3.65Å; F25-F171 HydrophobicContact CB-CE1 4.46Å; F25-F171 HydrophobicContact CB-CE2 3.26Å; F25-F171 HydrophobicContact CB-CG 4.43Å; F25-F171 HydrophobicContact CB-CZ 3.72Å; F25-F171 HydrophobicContact CD1-CB 4.45Å; F25-F171 AromaticContact CD1-CD1 3.55Å; F25-F171 HydrophobicContact CD1-CD1 3.55Å; F25-F171 AromaticContact CD1-CD2 3.72Å; F25-F171 HydrophobicContact CD1-CD2 3.72Å; F25-F171 AromaticContact CD1-CE1 3.59Å; F25-F171 HydrophobicContact CD1-CE1 3.59Å; F25-F171 AromaticContact CD1-CE2 3.8Å; F25-F171 HydrophobicContact CD1-CE2 3.8Å; F25-F171 AromaticContact CD1-CG 3.62Å; F25-F171 HydrophobicContact CD1-CG 3.62Å; F25-F171 AromaticContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD2-CB 4.01Å; F25-F171 HydrophobicContact CD2-CD1 4.47Å; F25-F171 AromaticContact CD2-CD2 3.37Å; F25-F171 HydrophobicContact CD2-CD2 3.37Å; F25-F171 AromaticContact CD2-CE2 3.97Å; F25-F171 HydrophobicContact CD2-CE2 3.97Å; F25-F171 AromaticContact CD2-CG 3.69Å; F25-F171 HydrophobicContact CD2-CG 3.69Å; F25-F171 HydrophobicContact CE1-CB 4.07Å; F25-F171 AromaticContact CE1-CD1 3.55Å; F25-F171 HydrophobicContact CE1-CD1 3.55Å; F25-F171 HydrophobicContact CE1-CD2 4.19Å; F25-F171 HydrophobicContact CE1-CE1 4.03Å; F25-F171 AromaticContact CE1-CG 3.65Å; F25-F171 HydrophobicContact CE1-CG 3.65Å; F25-F171 HydrophobicContact CE2-CB 3.6Å; F25-F171 HydrophobicContact CE2-CD1 4.48Å; F25-F171 AromaticContact CE2-CD2 3.9Å; F25-F171 HydrophobicContact CE2-CD2 3.9Å; F25-F171 AromaticContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CG-CB 4.42Å; F25-F171 HydrophobicContact CG-CD1 4.03Å; F25-F171 AromaticContact CG-CD2 3.27Å; F25-F171 HydrophobicContact CG-CD2 3.27Å; F25-F171 HydrophobicContact CG-CE1 4.1Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.63Å; F25-F171 HydrophobicContact CG-CG 3.63Å; F25-F171 AromaticContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CZ-CB 3.64Å; F25-F171 HydrophobicContact CZ-CD1 4.05Å; F25-F171 HydrophobicContact CZ-CD2 4.28Å; F25-F171 AromaticContact CZ-CG 3.72Å; F25-F171 HydrophobicContact CZ-CG 3.72Å; I46-F171 HydrophobicContact CD1-CB 3.99Å; L55-F171 HydrophobicContact CD1-CD1 4.2Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.97Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.18Å; V167-F171 HydrophobicContact CG1-CD2 4.31Å; V167-F171 HydrophobicContact CG1-CE2 4.12Å; V167-F171 WeakPolarHBondContact O-CD2 3.49Å; V167-F171 PolarHBondContact O-N 2.98Å; R168-F171 PolarHBondContact O-N 2.94Å; R168-F171 VanDerWaalsContact O-N 3.1Å; F171-T175 WeakPolarHBondContact O-CB 3.22Å; F171-T175 PolarHBondContact O-N 3.08Å; F171-T175 PolarHBondContact O-OG1 3.48Å
172E98.6Very high95.5Very high51 Ų5160.7 Ų60.724%0.23827%0.274CS..Hα-helixtrans-64.2-45.6171.6-71.7-178.4177.700111.3I46 V48 R168 E169 T175 R176I46-E172 HydrophobicContact CD1-CG 3.85Å; V48-E172 HydrophobicContact CG2-CB 4.36Å; V48-E172 HydrophobicContact CG2-CG 4.16Å; R168-E172 HydrophobicContact CG-CG 4.18Å; R168-E172 WeakPolarHBondContact CG-OE1 3.49Å; R168-E172 IonicContact CZ-OE1 3.77Å; R168-E172 IonicContact NE-OE1 2.78Å; R168-E172 PolarHBondContact NE-OE1 3.47Å; R168-E172 IonicContact NH2-OE1 3.03Å; R168-E172 WeakPolarHBondContact O-CG 3.32Å; R168-E172 PolarHBondContact O-N 3.25Å; E169-E172 PolarHBondContact O-N 2.9Å; E172-T175 PolarHBondContact O-N 2.9Å; E172-R176 WeakPolarHBondContact O-CB 3.41Å; E172-R176 PolarHBondContact O-N 2.96Å
173M98.7Very high93.8Very high44 Ų4460.1 Ų60.122%0.21727%0.272CS..Hα-helixtrans-64.2-45.8176-175.8-179.6-75.300111.6I113 F154 L157 E169 V170 T175 R176 A177I113-M173 HydrophobicContact CD1-CG 3.84Å; I113-M173 HydrophobicContact CD1-SD 4.11Å; I113-M173 HydrophobicContact CG1-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.93Å; F154-M173 HydrophobicContact CD1-CG 4.36Å; F154-M173 HydrophobicContact CE1-CG 4.32Å; L157-M173 HydrophobicContact CD1-CB 3.75Å; L157-M173 HydrophobicContact CD1-CE 3.64Å; L157-M173 HydrophobicContact CD1-CG 4.33Å; L157-M173 HydrophobicContact CD1-SD 3.67Å; L157-M173 HydrophobicContact CD2-CE 3.99Å; L157-M173 HydrophobicContact CG-CE 3.69Å; L157-M173 HydrophobicContact CG-SD 3.92Å; E169-M173 WeakPolarHBondContact O-CB 3.42Å; E169-M173 PolarHBondContact O-N 3.15Å; V170-M173 PolarHBondContact O-N 2.75Å; M173-T175 VanDerWaalsContact C-N 3.35Å; M173-T175 PolarHBondContact O-N 3.01Å; M173-R176 PolarHBondContact O-N 3.38Å; M173-A177 WeakPolarHBondContact O-CB 3.19Å; M173-A177 PolarHBondContact O-N 3.35Å
174A98.7Very high91.7Very high0 Ų063.5 Ų63.50%029%0.287CS..Hα-helixtrans-62.5-42.2178.200000111.9L8 V79 L81 I113 V170 A177 G178L8-A174 HydrophobicContact CD1-CB 3.88Å; V79-A174 HydrophobicContact CG1-CB 4.29Å; V79-A174 HydrophobicContact CG2-CB 4.07Å; L81-A174 HydrophobicContact CD2-CB 3.74Å; L81-A174 HydrophobicContact CG-CB 4.49Å; I113-A174 HydrophobicContact CG1-CB 4.02Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.34Å; A174-A177 PolarHBondContact O-N 3.44Å; A174-G178 PolarHBondContact O-N 3.3Å
175T98.2Very high89.3Confident0 Ų068.7 Ų68.70%031%0.31CS..Hα-helixtrans-63.1-46.1175.9-60.90000110.7I46 V48 V53 F171 E172 M173 A177 G178 L179I46-T175 HydrophobicContact CG2-CG2 4.14Å; V48-T175 HydrophobicContact CB-CG2 3.97Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V53-T175 HydrophobicContact CB-CG2 4Å; V53-T175 HydrophobicContact CG1-CG2 4.05Å; V53-T175 HydrophobicContact CG2-CG2 3.82Å; F171-T175 WeakPolarHBondContact O-CB 3.22Å; F171-T175 PolarHBondContact O-N 3.08Å; F171-T175 PolarHBondContact O-OG1 3.48Å; E172-T175 PolarHBondContact O-N 2.9Å; M173-T175 VanDerWaalsContact C-N 3.35Å; M173-T175 PolarHBondContact O-N 3.01Å; T175-A177 VanDerWaalsContact C-N 3.31Å; T175-A177 PolarHBondContact O-N 3.12Å; T175-G178 PolarHBondContact O-N 2.84Å; T175-L179 HydrophobicContact CG2-CD1 3.98Å; T175-L179 HydrophobicContact CG2-CG 4.29Å; T175-L179 WeakPolarHBondContact O-CB 3.38Å; T175-L179 VanDerWaalsContact O-CG 3.22Å; T175-L179 WeakPolarHBondContact O-CG 3.25Å; T175-L179 PolarHBondContact O-N 2.96Å
176R97.6Very high87Confident84 Ų8475.4 Ų75.432%0.31733%0.331SS..Hα-helixtrans-58.8-43.4176.9-169.7175.7-65.8109.6-1.2111.5V48 D49 E172 M173 L179 Q180V48-R176 HydrophobicContact CG1-CB 4.34Å; D49-R176 IonicContact OD1-CZ 3.65Å; D49-R176 IonicContact OD1-NE 3.73Å; D49-R176 IonicContact OD1-NH2 2.75Å; D49-R176 PolarHBondContact OD1-NH2 3.24Å; D49-R176 IonicContact OD2-CZ 3.3Å; D49-R176 IonicContact OD2-NE 2.89Å; D49-R176 PolarHBondContact OD2-NE 2.97Å; D49-R176 IonicContact OD2-NH2 3.19Å; E172-R176 WeakPolarHBondContact O-CB 3.41Å; E172-R176 PolarHBondContact O-N 2.96Å; M173-R176 PolarHBondContact O-N 3.38Å; R176-L179 PolarHBondContact O-N 3.36Å; R176-Q180 WeakPolarHBondContact O-CG 3.41Å; R176-Q180 PolarHBondContact O-N 2.79Å
177A98Very high84.4Confident1 Ų186 Ų861%0.00837%0.367CS..Hα-helixtrans-63.9-48.3175.800000111.7V79 P111 I113 F154 M173 A174 T175 L179 Q180V79-A177 HydrophobicContact CG2-CB 4.25Å; P111-A177 HydrophobicContact CB-CB 3.97Å; P111-A177 HydrophobicContact CG-CB 3.92Å; I113-A177 HydrophobicContact CD1-CB 3.99Å; F154-A177 HydrophobicContact CD1-CB 3.67Å; F154-A177 HydrophobicContact CD2-CB 4.12Å; F154-A177 HydrophobicContact CE1-CB 3.75Å; F154-A177 HydrophobicContact CE2-CB 4.19Å; F154-A177 HydrophobicContact CG-CB 3.87Å; F154-A177 HydrophobicContact CZ-CB 4.01Å; M173-A177 WeakPolarHBondContact O-CB 3.19Å; M173-A177 PolarHBondContact O-N 3.35Å; A174-A177 PolarHBondContact O-N 3.44Å; T175-A177 VanDerWaalsContact C-N 3.31Å; T175-A177 PolarHBondContact O-N 3.12Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3.33Å; A177-Q180 WeakPolarHBondContact O-CB 3.48Å; A177-Q180 PolarHBondContact O-N 3.48Å; A177-Q180 VanDerWaalsContact O-N 3.07Å
178G96.9Very high81.8Confident0 Ų098 Ų980%041%0.411CS..Hα-helixtrans-63.1-31.1178.800000113.5K6 D78 A174 T175 Q180 V181K6-G178 VanDerWaalsContact CE-O 3.23Å; K6-G178 WeakPolarHBondContact CE-O 3.49Å; K6-G178 PolarHBondContact NZ-O 2.98Å; D78-G178 WeakPolarHBondContact O-CA 3.48Å; A174-G178 PolarHBondContact O-N 3.3Å; T175-G178 PolarHBondContact O-N 2.84Å; G178-Q180 VanDerWaalsContact C-N 3.31Å; G178-Q180 PolarHBondContact O-N 3.34Å; G178-V181 PolarHBondContact O-N 2.93Å
179L95.2Very high79.2Confident40 Ų4093.9 Ų93.921%0.20942%0.415CS..Hα-helixtrans-68.9-25.6174.4-74.7171.8000113.4I4 K6 K51 V53 T175 R176 A177 V181I4-L179 HydrophobicContact CD1-CD2 4.49Å; I4-L179 HydrophobicContact CG2-CD2 3.67Å; K6-L179 HydrophobicContact CG-CD2 4.47Å; K51-L179 HydrophobicContact CD-CD1 4.16Å; V53-L179 HydrophobicContact CG2-CD1 4.19Å; V53-L179 HydrophobicContact CG2-CD2 4.09Å; V53-L179 HydrophobicContact CG2-CG 4.48Å; T175-L179 HydrophobicContact CG2-CD1 3.98Å; T175-L179 HydrophobicContact CG2-CG 4.29Å; T175-L179 WeakPolarHBondContact O-CB 3.38Å; T175-L179 VanDerWaalsContact O-CG 3.22Å; T175-L179 WeakPolarHBondContact O-CG 3.25Å; T175-L179 PolarHBondContact O-N 2.96Å; R176-L179 PolarHBondContact O-N 3.36Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3.33Å; L179-V181 VanDerWaalsContact C-N 3.32Å
180Q89.3Confident76.4Confident124 Ų12494.3 Ų94.358%0.57943%0.427SS*.Hα-helixtrans-77-20.6177.1-66.6179.61300112.7R176 A177 G178 R182R176-Q180 WeakPolarHBondContact O-CG 3.41Å; R176-Q180 PolarHBondContact O-N 2.79Å; A177-Q180 WeakPolarHBondContact O-CB 3.48Å; A177-Q180 PolarHBondContact O-N 3.48Å; A177-Q180 VanDerWaalsContact O-N 3.07Å; G178-Q180 VanDerWaalsContact C-N 3.31Å; G178-Q180 PolarHBondContact O-N 3.34Å; Q180-R182 PolarHBondContact O-N 3.38Å
181V81.1Confident74Confident38 Ų3899.6 Ų99.623%0.2346%0.462CS..  trans-67.6104.4177.1-176.70000109.9D78 P111 G178 L179 K183D78-V181 WeakPolarHBondContact O-CG2 3.5Å; P111-V181 HydrophobicContact CG-CG2 3.77Å; G178-V181 PolarHBondContact O-N 2.93Å; L179-V181 VanDerWaalsContact C-N 3.32Å; V181-K183 PolarHBondContact O-N 2.93Å
182R68.1Low71.5Confident226 Ų226106.8 Ų106.885%0.85350%0.499SS*.  trans-72.8109.3166.1-66.6-175.6177.1-171.9-0.3107.3Q180 N184Q180-R182 PolarHBondContact O-N 3.38Å; R182-N184 PolarHBondContact O-N 2.91Å
183K61.9Low68.7Low121 Ų121115.5 Ų115.553%0.52655%0.546SS..  trans-60.9106.2166.1-65.8-167.4-177.1-171.50106.3D78 V181 K185D78-K183 WeakPolarHBondContact OD1-CE 3.43Å; D78-K183 IonicContact OD1-NZ 3.61Å; D78-K183 PolarHBondContact OD1-NZ 3.2Å; D78-K183 IonicContact OD2-NZ 2.92Å; D78-K183 PolarHBondContact OD2-NZ 3.02Å; D78-K183 VanDerWaalsContact OD2-NZ 3.15Å; V181-K183 PolarHBondContact O-N 2.93Å; K183-K185 VanDerWaalsContact C-N 3.31Å; K183-K185 PolarHBondContact O-N 3.32Å
184N55.2Low67.2Low149 Ų149119.1 Ų119.180%0.79756%0.562SS**  trans-53.9107.8162.1-79.6-19.9000104.3R182 R186R182-N184 PolarHBondContact O-N 2.91Å; N184-R186 VanDerWaalsContact C-N 3.25Å; N184-R186 PolarHBondContact O-N 3.22Å
185K48Very low65.6Low201 Ų201125.3 Ų125.387%0.87459%0.592SS**  trans-51.7101.4172.6-78.7-178177177.10104.9K183 R187K183-K185 VanDerWaalsContact C-N 3.31Å; K183-K185 PolarHBondContact O-N 3.32Å; K185-R187 PolarHBondContact O-N 3.27Å
186R48.9Very low63.8Low234 Ų234132.3 Ų132.388%0.88363%0.625SS**  trans-51.8115.6172.7-94.5-178.7135.6177.6-4.7104.1N184 R188N184-R186 VanDerWaalsContact C-N 3.25Å; N184-R186 PolarHBondContact O-N 3.22Å; R186-R188 PolarHBondContact O-N 3.23Å
187R43.9Very low61.8Low238 Ų238135.1 Ų135.190%0.89864%0.643SS**  trans-47.2112.5172.4-80.2176.4154.4-177.7-6.8105.7K185 G189K185-R187 PolarHBondContact O-N 3.27Å; R187-G189 VanDerWaalsContact C-N 3.29Å; R187-G189 PolarHBondContact O-N 3.44Å
188R45.2Very low59.5Low259 Ų259143.5 Ų143.598%0.97768%0.682SS**  trans-53.3104.2161.8-80179.2163.3-177.4-5.5105.2R186R186-R188 PolarHBondContact O-N 3.23Å
189G43.6Very low57Low62 Ų62153.1 Ų153.164%0.63973%0.728SS**  trans-167.849.2-169.200000109.8R187 P191R187-G189 VanDerWaalsContact C-N 3.29Å; R187-G189 PolarHBondContact O-N 3.44Å; G189-P191 WeakPolarHBondContact O-CD 3.37Å
190C40Very low54.3Low108 Ų108161.1 Ų161.173%0.7377%0.765SS**  trans-112.587.8156-150.80000106.3I192C190-I192 VanDerWaalsContact C-N 3.28Å; C190-I192 PolarHBondContact O-N 2.66Å
191P47.8Very low51.6Low112 Ų112164 Ų16473%0.72778%0.779SS**  trans-71.595.815528.8-25.8000105.8G189 L193G189-P191 WeakPolarHBondContact O-CD 3.37Å; P191-L193 PolarHBondContact O-N 2.69Å
192I47.7Very low49.1Very low150 Ų150174.5 Ų174.577%0.76983%0.825SS**  trans-73.3104.1162.3-57.6175.4000104.5C190C190-I192 VanDerWaalsContact C-N 3.28Å; C190-I192 PolarHBondContact O-N 2.66Å
193L39.4Very low47.4Very low234 Ų234169.8 Ų169.8100%1.22582%0.822SS**  trans-77.70154.2-81.6163.4000108.4P191P191-L193 PolarHBondContact O-N 2.69Å

Retrieved 193 of 193 residues in 964.5 ms (Link to these results)

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