A0A096NL02_PAPAN Loading...

Gfo/Idh/MocA-like oxidoreductase domain containing 1

AlphaFold DB (Q9NXC2), UniProt , Accession A0A096NL02, Species PAPAN (Papio anubis, Olive baboon), Gene GFOD1, Length 390 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
1M83.1Confident94.9Very high170 Ų17027.5 Ų27.584%0.83715%0.152SC*.  0138.70-87.5-171.9-86.700107.3R323M1-R323 PolarHBondContact SD-NH2 3.01Å
2L95.1Very high94.4Very high43 Ų4328.8 Ų28.823%0.22516%0.159CC..PPolyproline II helixtrans-64152.7177.7-66.2176.6000111.8F26 R314 F317L2-F26 HydrophobicContact CB-CD1 3.94Å; L2-F26 HydrophobicContact CB-CE1 4.09Å; L2-F26 HydrophobicContact CD1-CD1 4.2Å; L2-F26 HydrophobicContact CD1-CD2 4.32Å; L2-F26 HydrophobicContact CD1-CE1 4.27Å; L2-F26 HydrophobicContact CD1-CE2 4.4Å; L2-F26 HydrophobicContact CD1-CG 4.22Å; L2-F26 HydrophobicContact CD1-CZ 4.37Å; L2-F26 HydrophobicContact CD2-CE1 4.2Å; L2-F26 HydrophobicContact CD2-CZ 4.34Å; L2-F26 HydrophobicContact CG-CE1 4.41Å; L2-R314 HydrophobicContact CD1-CG 4.28Å; L2-R314 HydrophobicContact CD2-CG 4.43Å; L2-F317 HydrophobicContact CD2-CB 3.75Å
3P96.7Very high94.1Very high1 Ų130.9 Ų30.91%0.00617%0.173CC..PPolyproline II helixtrans-59146174.122.8-33.3000111.3F26 D65 L66 F317 R323P3-F26 HydrophobicContact CG-CD1 4.08Å; P3-F26 HydrophobicContact CG-CE1 3.7Å; P3-D65 HydrophobicContact CB-CB 3.65Å; P3-L66 HydrophobicContact CB-CB 4.03Å; P3-L66 HydrophobicContact CG-CB 4.08Å; P3-L66 HydrophobicContact CG-CD2 4.41Å; P3-F317 HydrophobicContact CG-CB 4.31Å; P3-F317 HydrophobicContact CG-CD1 3.73Å; P3-F317 HydrophobicContact CG-CD2 3.95Å; P3-F317 HydrophobicContact CG-CE1 3.98Å; P3-F317 HydrophobicContact CG-CE2 4.21Å; P3-F317 HydrophobicContact CG-CG 3.72Å; P3-F317 HydrophobicContact CG-CZ 4.23Å; P3-R323 WeakPolarHBondContact CB-O 3.18Å
4G97.8Very high94Very high2 Ų228.7 Ų28.72%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-74.5142.9163.400000110.2A27 D63 V64 D65 L66G4-A27 WeakPolarHBondContact CA-O 3.24Å; G4-D63 WeakPolarHBondContact CA-O 3.45Å; G4-V64 WeakPolarHBondContact O-CA 3.39Å; G4-D65 PolarHBondContact O-N 3.43Å; G4-L66 PolarHBondContact O-N 3.15Å; G4-L66 VanDerWaalsContact O-N 3.17Å
5V98.5Very high94Very high0 Ų030.6 Ų30.60%016%0.164CC..EExtended strand (participates in β ladder)trans-109.3130.9-170.9-172.70000111V7 L21 F26 A27 V28 K29 A30 L66 C68V5-V7 HydrophobicContact CG1-CG2 4.09Å; V5-L21 HydrophobicContact CG1-CD1 3.92Å; V5-L21 HydrophobicContact CG2-CD2 4.47Å; V5-F26 HydrophobicContact CG2-CB 3.83Å; V5-F26 HydrophobicContact CG2-CD1 3.76Å; V5-F26 HydrophobicContact CG2-CG 4.05Å; V5-A27 PolarHBondContact N-O 2.89Å; V5-V28 CarbonylContact O-C 3.43Å; V5-K29 PolarHBondContact O-N 3.21Å; V5-A30 PolarHBondContact O-N 3.48Å; V5-L66 CarbonylContact C-O 3.57Å; V5-L66 VanDerWaalsContact CA-O 3.29Å; V5-L66 WeakPolarHBondContact CA-O 3.44Å; V5-L66 HydrophobicContact CG2-CB 4.33Å; V5-L66 HydrophobicContact CG2-CD2 4.17Å; V5-L66 HydrophobicContact CG2-CG 4.48Å; V5-C68 HydrophobicContact CG1-CB 4.5Å
6G98.5Very high94Very high0 Ų028.9 Ų28.90%016%0.156CC..EExtended strand (participates in β ladder)trans-98.8126.7165.600000109.8A30 L66 V67 C68G6-A30 CarbonylContact C-O 3.56Å; G6-A30 WeakPolarHBondContact CA-O 3.44Å; G6-L66 PolarHBondContact N-O 3.19Å; G6-V67 CarbonylContact O-C 3.04Å; G6-V67 VanDerWaalsContact O-CA 3.32Å; G6-V67 WeakPolarHBondContact O-CA 3.2Å; G6-C68 PolarHBondContact O-N 2.63Å
7V98.3Very high93.9Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-109.1130.5179.1178.10000109.6V5 A14 I17 I18 L21 V28 A30 L31 W32 C68V5-V7 HydrophobicContact CG1-CG2 4.09Å; V7-A14 HydrophobicContact CG1-CB 4.47Å; V7-I17 HydrophobicContact CG1-CG2 4.27Å; V7-I18 HydrophobicContact CB-CG1 4.42Å; V7-I18 HydrophobicContact CG1-CD1 4.29Å; V7-I18 HydrophobicContact CG1-CG1 4.21Å; V7-I18 HydrophobicContact CG2-CG1 4.06Å; V7-L21 HydrophobicContact CG2-CD1 4.19Å; V7-V28 HydrophobicContact CG2-CG1 3.9Å; V7-A30 PolarHBondContact N-O 3.46Å; V7-L31 HydrophobicContact CB-CD1 3.93Å; V7-L31 HydrophobicContact CG1-CD1 3.96Å; V7-L31 WeakPolarHBondContact O-CA 3.48Å; V7-W32 PolarHBondContact O-N 2.95Å; V7-C68 HydrophobicContact CG2-CB 4.41Å
8F97.6Very high94.1Very high0 Ų026.2 Ų26.20%014%0.141CC..EExtended strand (participates in β ladder)trans-106.5118.1173.3-78.3-99.7000110.5W32 I55 V58 L59 V67 C68 N70 L71 I79F8-W32 HydrophobicContact CB-CE3 4.41Å; F8-W32 HydrophobicContact CD1-CB 3.4Å; F8-W32 AromaticContact CD1-CD2 3.63Å; F8-W32 HydrophobicContact CD1-CD2 3.63Å; F8-W32 AromaticContact CD1-CE3 3.81Å; F8-W32 HydrophobicContact CD1-CE3 3.81Å; F8-W32 AromaticContact CD1-CG 3.47Å; F8-W32 HydrophobicContact CD1-CG 3.47Å; F8-W32 VanDerWaalsContact CD1-CG 3.47Å; F8-W32 HydrophobicContact CE1-CB 3.55Å; F8-W32 AromaticContact CE1-CD1 3.98Å; F8-W32 HydrophobicContact CE1-CD2 4.04Å; F8-W32 AromaticContact CE1-CG 3.54Å; F8-W32 HydrophobicContact CE1-CG 3.54Å; F8-W32 HydrophobicContact CG-CB 3.95Å; F8-W32 HydrophobicContact CG-CG 4.45Å; F8-W32 HydrophobicContact CZ-CB 4.23Å; F8-I55 HydrophobicContact CE1-CB 4.21Å; F8-I55 HydrophobicContact CE1-CG1 4.18Å; F8-I55 HydrophobicContact CE1-CG2 3.87Å; F8-I55 HydrophobicContact CZ-CG2 4.19Å; F8-V58 HydrophobicContact CD2-CG1 4.29Å; F8-V58 HydrophobicContact CE1-CB 4.48Å; F8-V58 HydrophobicContact CE2-CB 4.04Å; F8-V58 HydrophobicContact CE2-CG1 3.46Å; F8-V58 VanDerWaalsContact CE2-CG1 3.46Å; F8-V58 HydrophobicContact CZ-CB 3.7Å; F8-V58 HydrophobicContact CZ-CG1 3.69Å; F8-L59 HydrophobicContact CE2-CD2 3.58Å; F8-L59 HydrophobicContact CE2-CG 4.3Å; F8-L59 HydrophobicContact CZ-CD2 3.6Å; F8-L59 HydrophobicContact CZ-CG 3.8Å; F8-V67 HydrophobicContact CD2-CG1 3.48Å; F8-V67 VanDerWaalsContact CD2-CG1 3.48Å; F8-V67 HydrophobicContact CE2-CG1 3.56Å; F8-C68 PolarHBondContact N-O 3.03Å; F8-N70 CarbonylContact O-C 3.58Å; F8-N70 WeakPolarHBondContact O-CA 3.42Å; F8-N70 PolarHBondContact O-N 2.89Å; F8-L71 HydrophobicContact CB-CD1 4.14Å; F8-L71 HydrophobicContact CB-CD2 4.26Å; F8-L71 HydrophobicContact CB-CG 4.07Å; F8-I79 HydrophobicContact CD1-CD1 3.35Å; F8-I79 HydrophobicContact CD1-CG2 4Å; F8-I79 HydrophobicContact CD2-CG2 4.08Å; F8-I79 HydrophobicContact CE1-CD1 3.74Å; F8-I79 HydrophobicContact CE1-CG2 3.97Å; F8-I79 HydrophobicContact CE2-CG2 4.04Å; F8-I79 HydrophobicContact CG-CD1 4.08Å; F8-I79 HydrophobicContact CG-CG2 4.06Å; F8-I79 HydrophobicContact CZ-CG2 3.99Å
9G94.5Very high94.1Very high4 Ų425.8 Ų25.84%0.04114%0.14CC..  trans117.8151177.400000112.6A14 W32 L71G9-A14 WeakPolarHBondContact O-CB 2.97Å; G9-W32 PolarHBondContact N-O 3.26Å; G9-L71 VanDerWaalsContact CA-CD2 3.44Å
10T93.9Very high94.1Very high32 Ų3225 Ų2520%0.19614%0.135CC..  trans-12114.3-177.351.20000112.6E38 L42T10-E38 HydrophobicContact CG2-CB 4.23Å; T10-E38 WeakPolarHBondContact CG2-O 3.49Å; T10-L42 HydrophobicContact CG2-CB 4.33Å; T10-L42 HydrophobicContact CG2-CD2 4.08Å
11S90Very high94.2Very high50 Ų5023.8 Ų23.835%0.3513%0.129SC..SBendtrans-73.3178.2-176.568.60000112.9T13 A14 R15S11-T13 PolarHBondContact O-N 2.87Å; S11-T13 PolarHBondContact OG-N 2.99Å; S11-A14 WeakPolarHBondContact O-CB 3.49Å; S11-A14 PolarHBondContact O-N 2.89Å; S11-R15 PolarHBondContact O-N 3.19Å; S11-R15 VanDerWaalsContact O-N 3.09Å
12L89.5Confident94.8Very high43 Ų4319.5 Ų19.523%0.22511%0.105CC..Hα-helixtrans-54.6-37.8171-177.463000111.9A14 R15 V16 P291 K293 D297 I298L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.37Å; L12-R15 CarbonylContact O-C 3.52Å; L12-R15 WeakPolarHBondContact O-CA 3.42Å; L12-R15 WeakPolarHBondContact O-CB 3.21Å; L12-R15 PolarHBondContact O-N 2.71Å; L12-R15 VanDerWaalsContact O-N 3.1Å; L12-V16 PolarHBondContact O-N 3.03Å; L12-P291 HydrophobicContact CD1-CG 4.21Å; L12-K293 HydrophobicContact CD1-CB 4.14Å; L12-D297 HydrophobicContact CD2-CB 3.61Å; L12-I298 HydrophobicContact CD2-CD1 4.29Å; L12-I298 HydrophobicContact CD2-CG1 4.14Å; L12-I298 HydrophobicContact CG-CD1 4.29Å
13T89.7Confident94.7Very high57 Ų5722.3 Ų22.335%0.3512%0.121SC..Hα-helixtrans-60.9-40.6175.7-46.70000111.6S11 R15 V16 I17 N70S11-T13 PolarHBondContact O-N 2.87Å; S11-T13 PolarHBondContact OG-N 2.99Å; T13-R15 VanDerWaalsContact C-N 3.31Å; T13-R15 PolarHBondContact O-N 3Å; T13-V16 PolarHBondContact O-N 2.8Å; T13-V16 VanDerWaalsContact O-N 3.12Å; T13-I17 PolarHBondContact O-N 3.24Å; T13-N70 HydrophobicContact CG2-CB 4.22Å; T13-N70 WeakPolarHBondContact CG2-OD1 3.42Å
14A93.4Very high94.6Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-63.7-38.9174.800000111.8V7 G9 S11 L12 V16 I17 I18 L42V7-A14 HydrophobicContact CG1-CB 4.47Å; G9-A14 WeakPolarHBondContact O-CB 2.97Å; S11-A14 WeakPolarHBondContact O-CB 3.49Å; S11-A14 PolarHBondContact O-N 2.89Å; L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.37Å; A14-V16 PolarHBondContact O-N 2.9Å; A14-I17 PolarHBondContact O-N 2.85Å; A14-I18 WeakPolarHBondContact O-CB 3.2Å; A14-I18 WeakPolarHBondContact O-CD1 3.46Å; A14-I18 VanDerWaalsContact O-CG1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.36Å; A14-I18 PolarHBondContact O-N 3.26Å; A14-L42 HydrophobicContact CB-CD2 3.96Å
15R93.6Very high94.5Very high57 Ų5725.4 Ų25.422%0.21515%0.148CC..Hα-helixtrans-68.1-14175.1-67.1163.2171.9-82.9-9.2113.7S11 L12 T13 P19 L42 E45 M46 P291S11-R15 PolarHBondContact O-N 3.19Å; S11-R15 VanDerWaalsContact O-N 3.09Å; L12-R15 CarbonylContact O-C 3.52Å; L12-R15 WeakPolarHBondContact O-CA 3.42Å; L12-R15 WeakPolarHBondContact O-CB 3.21Å; L12-R15 PolarHBondContact O-N 2.71Å; L12-R15 VanDerWaalsContact O-N 3.1Å; T13-R15 VanDerWaalsContact C-N 3.31Å; T13-R15 PolarHBondContact O-N 3Å; R15-P19 VanDerWaalsContact O-CD 3.31Å; R15-P19 WeakPolarHBondContact O-CD 3.35Å; R15-P19 WeakPolarHBondContact O-CG 3.42Å; R15-L42 HydrophobicContact CG-CD1 3.6Å; R15-L42 HydrophobicContact CG-CD2 4.5Å; R15-E45 IonicContact CZ-OE1 2.61Å; R15-E45 IonicContact CZ-OE2 2.82Å; R15-E45 IonicContact NH1-OE1 3.74Å; R15-E45 PolarHBondContact NH1-OE1 3.38Å; R15-E45 IonicContact NH1-OE2 3.13Å; R15-E45 PolarHBondContact NH1-OE2 3.12Å; R15-E45 IonicContact NH2-OE2 2.68Å; R15-E45 PolarHBondContact NH2-OE2 3.23Å; R15-M46 HydrophobicContact CB-CE 4.04Å; R15-M46 HydrophobicContact CG-CE 4.08Å; R15-P291 HydrophobicContact CB-CG 4.4Å
16V93.3Very high94.4Very high4 Ų425.7 Ų25.72%0.02415%0.149CC..Hα-helixtrans-95.3-47.8171.2169.90000111.2L12 T13 A14 I18 P19 L20 L290 A294 I298 L303L12-V16 PolarHBondContact O-N 3.03Å; T13-V16 PolarHBondContact O-N 2.8Å; T13-V16 VanDerWaalsContact O-N 3.12Å; A14-V16 PolarHBondContact O-N 2.9Å; V16-I18 PolarHBondContact O-N 3.01Å; V16-P19 WeakPolarHBondContact O-CD 3.15Å; V16-L20 HydrophobicContact CG1-CD1 3.76Å; V16-L20 HydrophobicContact CG1-CG 4.45Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.23Å; V16-L20 PolarHBondContact O-N 3.46Å; V16-L290 HydrophobicContact CB-CD2 4.26Å; V16-L290 HydrophobicContact CG1-CD2 3.97Å; V16-L290 HydrophobicContact CG2-CD2 4.32Å; V16-A294 HydrophobicContact CG2-CB 3.53Å; V16-I298 HydrophobicContact CG2-CD1 3.76Å; V16-L303 HydrophobicContact CG1-CD1 3.6Å
17I93.7Very high94.3Very high9 Ų927.8 Ų27.85%0.04617%0.167CC..Hα-helixtrans-69.1-35.8-173-15467.1000112.3V7 T13 A14 L20 L21 T306 M310V7-I17 HydrophobicContact CG1-CG2 4.27Å; T13-I17 PolarHBondContact O-N 3.24Å; A14-I17 PolarHBondContact O-N 2.85Å; I17-L20 PolarHBondContact O-N 3.31Å; I17-L21 HydrophobicContact CG1-CD1 4.06Å; I17-L21 HydrophobicContact CG1-CG 4.29Å; I17-L21 HydrophobicContact CG2-CD1 4.46Å; I17-L21 WeakPolarHBondContact O-CB 3.43Å; I17-L21 WeakPolarHBondContact O-CD1 3.43Å; I17-L21 WeakPolarHBondContact O-CG 3.23Å; I17-L21 PolarHBondContact O-N 2.83Å; I17-T306 HydrophobicContact CD1-CG2 3.64Å; I17-M310 HydrophobicContact CD1-CE 3.93Å; I17-M310 HydrophobicContact CD1-CG 3.95Å; I17-M310 HydrophobicContact CD1-SD 3.57Å; I17-M310 VanDerWaalsContact CD1-SD 3.57Å; I17-M310 HydrophobicContact CG1-SD 4.23Å
18I96.1Very high94.3Very high0 Ų028 Ų280%017%0.169CC..Hα-helixtrans-64.5-51-178.1-69.6165.6000111V7 A14 V16 L20 L21 K22 V28 L31 L42 M46 V48V7-I18 HydrophobicContact CB-CG1 4.42Å; V7-I18 HydrophobicContact CG1-CD1 4.29Å; V7-I18 HydrophobicContact CG1-CG1 4.21Å; V7-I18 HydrophobicContact CG2-CG1 4.06Å; A14-I18 WeakPolarHBondContact O-CB 3.2Å; A14-I18 WeakPolarHBondContact O-CD1 3.46Å; A14-I18 VanDerWaalsContact O-CG1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.36Å; A14-I18 PolarHBondContact O-N 3.26Å; V16-I18 PolarHBondContact O-N 3.01Å; I18-L20 PolarHBondContact O-N 2.81Å; I18-L21 PolarHBondContact O-N 3.01Å; I18-K22 HydrophobicContact CG2-CD 4.37Å; I18-K22 WeakPolarHBondContact O-CG 3.4Å; I18-K22 PolarHBondContact O-N 3.42Å; I18-K22 VanDerWaalsContact O-N 3.08Å; I18-V28 HydrophobicContact CG2-CG2 4.22Å; I18-L31 HydrophobicContact CD1-CD1 4.02Å; I18-L42 HydrophobicContact CD1-CD2 4.18Å; I18-L42 HydrophobicContact CD1-CG 4.49Å; I18-M46 HydrophobicContact CD1-CG 4.47Å; I18-M46 HydrophobicContact CG2-CB 3.84Å; I18-M46 HydrophobicContact CG2-CG 4.16Å; I18-M46 HydrophobicContact CG2-SD 4.37Å; I18-V48 HydrophobicContact CG2-CG2 4.44Å
19P94.6Very high94.4Very high18 Ų1831 Ų3112%0.11718%0.181CC..Hα-helixtrans-57.5-44.6172.8-27.534.9000113.3R15 V16 L21 K22 D23 M46 L289 L290R15-P19 VanDerWaalsContact O-CD 3.31Å; R15-P19 WeakPolarHBondContact O-CD 3.35Å; R15-P19 WeakPolarHBondContact O-CG 3.42Å; V16-P19 WeakPolarHBondContact O-CD 3.15Å; P19-L21 PolarHBondContact O-N 3.28Å; P19-K22 PolarHBondContact O-N 2.84Å; P19-D23 WeakPolarHBondContact O-CB 3.36Å; P19-D23 PolarHBondContact O-N 2.7Å; P19-M46 HydrophobicContact CG-CE 4.31Å; P19-M46 HydrophobicContact CG-SD 3.96Å; P19-L289 HydrophobicContact CB-CD2 3.64Å; P19-L289 HydrophobicContact CB-CG 3.95Å; P19-L289 VanDerWaalsContact CB-O 3.31Å; P19-L289 WeakPolarHBondContact CB-O 3.11Å; P19-L290 HydrophobicContact CB-CD2 4.33Å
20L94.1Very high94.6Very high9 Ų930.8 Ų30.85%0.04718%0.179CC..Hα-helixtrans-62.4-42.9-180-68.5178.6000112.6V16 I17 I18 K22 D23 E24 L289 L290 T306 I307 M310V16-L20 HydrophobicContact CG1-CD1 3.76Å; V16-L20 HydrophobicContact CG1-CG 4.45Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.23Å; V16-L20 PolarHBondContact O-N 3.46Å; I17-L20 PolarHBondContact O-N 3.31Å; I18-L20 PolarHBondContact O-N 2.81Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 3.36Å; L20-D23 PolarHBondContact O-N 3.22Å; L20-E24 WeakPolarHBondContact O-CG 3.16Å; L20-E24 PolarHBondContact O-N 2.89Å; L20-L289 HydrophobicContact CD2-CD2 3.74Å; L20-L289 HydrophobicContact CG-CD2 4.41Å; L20-L290 HydrophobicContact CD2-CD2 4.35Å; L20-L290 HydrophobicContact CG-CD2 4.21Å; L20-T306 HydrophobicContact CD1-CG2 3.86Å; L20-I307 HydrophobicContact CD1-CG1 3.92Å; L20-I307 HydrophobicContact CD2-CD1 4.47Å; L20-I307 HydrophobicContact CD2-CG1 3.74Å; L20-M310 HydrophobicContact CB-CG 4.22Å
21L95.9Very high94.8Very high0 Ų029.2 Ų29.20%017%0.17CC..Hα-helixtrans-59.6-44.5174.7-76.4166.4000111.2V5 V7 I17 I18 P19 E24 G25 F26 V28 M310V5-L21 HydrophobicContact CG1-CD1 3.92Å; V5-L21 HydrophobicContact CG2-CD2 4.47Å; V7-L21 HydrophobicContact CG2-CD1 4.19Å; I17-L21 HydrophobicContact CG1-CD1 4.06Å; I17-L21 HydrophobicContact CG1-CG 4.29Å; I17-L21 HydrophobicContact CG2-CD1 4.46Å; I17-L21 WeakPolarHBondContact O-CB 3.43Å; I17-L21 WeakPolarHBondContact O-CD1 3.43Å; I17-L21 WeakPolarHBondContact O-CG 3.23Å; I17-L21 PolarHBondContact O-N 2.83Å; I18-L21 PolarHBondContact O-N 3.01Å; P19-L21 PolarHBondContact O-N 3.28Å; L21-E24 CarbonylContact O-C 3.55Å; L21-E24 PolarHBondContact O-N 3.31Å; L21-G25 PolarHBondContact O-N 2.87Å; L21-F26 HydrophobicContact CB-CB 4.17Å; L21-F26 HydrophobicContact CD2-CB 4.33Å; L21-F26 HydrophobicContact CD2-CD2 3.85Å; L21-F26 HydrophobicContact CD2-CE2 4.35Å; L21-F26 HydrophobicContact CD2-CG 4.11Å; L21-F26 VanDerWaalsContact O-CB 3.32Å; L21-F26 WeakPolarHBondContact O-CB 3.49Å; L21-F26 PolarHBondContact O-N 3.46Å; L21-V28 HydrophobicContact CB-CG2 4.13Å; L21-V28 HydrophobicContact CD1-CG2 4.24Å; L21-M310 HydrophobicContact CD2-SD 3.6Å; L21-M310 VanDerWaalsContact CD2-SD 3.6Å; L21-M310 HydrophobicContact CG-SD 4.06Å
22K95.9Very high95.2Very high80 Ų8027.9 Ų27.935%0.34816%0.157SC..Hα-helixtrans-65.4-40.7178.9-73.3-176.7171.4-158.50112.4I18 P19 L20 E24 G25 V28 M46 S47I18-K22 HydrophobicContact CG2-CD 4.37Å; I18-K22 WeakPolarHBondContact O-CG 3.4Å; I18-K22 PolarHBondContact O-N 3.42Å; I18-K22 VanDerWaalsContact O-N 3.08Å; P19-K22 PolarHBondContact O-N 2.84Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 3.36Å; K22-E24 VanDerWaalsContact C-N 3.28Å; K22-E24 PolarHBondContact O-N 2.91Å; K22-G25 WeakPolarHBondContact O-CA 3.22Å; K22-G25 PolarHBondContact O-N 2.9Å; K22-V28 HydrophobicContact CG-CG2 4.26Å; K22-M46 PolarHBondContact NZ-O 2.89Å; K22-S47 PolarHBondContact NZ-O 2.97Å
23D93.6Very high95.5Very high102 Ų10225.8 Ų25.855%0.54515%0.146SC..Hα-helixtrans-62.1-38.1176.2-163.759.2000111.7P19 L20 G25 L289P19-D23 WeakPolarHBondContact O-CB 3.36Å; P19-D23 PolarHBondContact O-N 2.7Å; L20-D23 PolarHBondContact O-N 3.22Å; D23-G25 PolarHBondContact O-N 3.14Å; D23-L289 HydrophobicContact CB-CD1 3.83Å; D23-L289 HydrophobicContact CB-CD2 4.21Å; D23-L289 WeakPolarHBondContact OD1-CD1 2.99Å
24E94Very high95.5Very high17 Ų1728.2 Ų28.28%0.07915%0.149CC..THydrogen-bonded Turntrans-76.84.1172.8-67.3-57.2156.500113.9L20 L21 K22 F26 M310 Q311 R314L20-E24 WeakPolarHBondContact O-CG 3.16Å; L20-E24 PolarHBondContact O-N 2.89Å; L21-E24 CarbonylContact O-C 3.55Å; L21-E24 PolarHBondContact O-N 3.31Å; K22-E24 VanDerWaalsContact C-N 3.28Å; K22-E24 PolarHBondContact O-N 2.91Å; E24-F26 HydrophobicContact CB-CD2 4.04Å; E24-F26 HydrophobicContact CB-CE2 4.2Å; E24-M310 HydrophobicContact CG-CB 4.17Å; E24-Q311 WeakPolarHBondContact OE1-CG 3.48Å; E24-Q311 PolarHBondContact OE1-NE2 2.77Å; E24-R314 HydrophobicContact CB-CB 4.39Å; E24-R314 VanDerWaalsContact O-CD 3.28Å; E24-R314 WeakPolarHBondContact O-CD 3.46Å; E24-R314 WeakPolarHBondContact OE2-CD 3.44Å; E24-R314 IonicContact OE2-CZ 2.65Å; E24-R314 IonicContact OE2-NE 3.21Å; E24-R314 IonicContact OE2-NH1 2.74Å; E24-R314 PolarHBondContact OE2-NH1 2.87Å
25G95.3Very high95.6Very high51 Ų5130.6 Ų30.653%0.52616%0.164SC..THydrogen-bonded Turntrans86.75.4174.100000115.3L21 K22 D23L21-G25 PolarHBondContact O-N 2.87Å; K22-G25 WeakPolarHBondContact O-CA 3.22Å; K22-G25 PolarHBondContact O-N 2.9Å; D23-G25 PolarHBondContact O-N 3.14Å
26F97Very high95.8Very high6 Ų631.6 Ų31.63%0.02617%0.171CC..  trans-72.3140.6173.6-68.1-86.8000111.3L2 P3 V5 L21 E24 L66 V313 R314 F317L2-F26 HydrophobicContact CB-CD1 3.94Å; L2-F26 HydrophobicContact CB-CE1 4.09Å; L2-F26 HydrophobicContact CD1-CD1 4.2Å; L2-F26 HydrophobicContact CD1-CD2 4.32Å; L2-F26 HydrophobicContact CD1-CE1 4.27Å; L2-F26 HydrophobicContact CD1-CE2 4.4Å; L2-F26 HydrophobicContact CD1-CG 4.22Å; L2-F26 HydrophobicContact CD1-CZ 4.37Å; L2-F26 HydrophobicContact CD2-CE1 4.2Å; L2-F26 HydrophobicContact CD2-CZ 4.34Å; L2-F26 HydrophobicContact CG-CE1 4.41Å; P3-F26 HydrophobicContact CG-CD1 4.08Å; P3-F26 HydrophobicContact CG-CE1 3.7Å; V5-F26 HydrophobicContact CG2-CB 3.83Å; V5-F26 HydrophobicContact CG2-CD1 3.76Å; V5-F26 HydrophobicContact CG2-CG 4.05Å; L21-F26 HydrophobicContact CB-CB 4.17Å; L21-F26 HydrophobicContact CD2-CB 4.33Å; L21-F26 HydrophobicContact CD2-CD2 3.85Å; L21-F26 HydrophobicContact CD2-CE2 4.35Å; L21-F26 HydrophobicContact CD2-CG 4.11Å; L21-F26 VanDerWaalsContact O-CB 3.32Å; L21-F26 WeakPolarHBondContact O-CB 3.49Å; L21-F26 PolarHBondContact O-N 3.46Å; E24-F26 HydrophobicContact CB-CD2 4.04Å; E24-F26 HydrophobicContact CB-CE2 4.2Å; F26-L66 HydrophobicContact CE1-CD2 4.3Å; F26-V313 HydrophobicContact CE2-CG1 4.49Å; F26-V313 HydrophobicContact CZ-CG1 3.89Å; F26-R314 HydrophobicContact CE2-CB 3.85Å; F26-R314 HydrophobicContact CZ-CB 4.17Å; F26-F317 HydrophobicContact CE1-CD2 4.32Å; F26-F317 HydrophobicContact CZ-CD2 4.44Å
27A97Very high96Very high45 Ų4538.7 Ų38.737%0.37220%0.203SC..EExtended strand (participates in β ladder)trans-89.8107.5170.600000109.8G4 V5 K29G4-A27 WeakPolarHBondContact CA-O 3.24Å; V5-A27 PolarHBondContact N-O 2.89Å; A27-K29 HydrophobicContact CB-CD 4.15Å; A27-K29 PolarHBondContact O-N 2.84Å
28V98.3Very high96.1Very high5 Ų540.6 Ų40.63%0.0321%0.212CC..EExtended strand (participates in β ladder)trans-72.8107.7169.6-175.70000108.5V5 V7 I18 L21 K22 V48 P49V5-V28 CarbonylContact O-C 3.43Å; V7-V28 HydrophobicContact CG2-CG1 3.9Å; I18-V28 HydrophobicContact CG2-CG2 4.22Å; L21-V28 HydrophobicContact CB-CG2 4.13Å; L21-V28 HydrophobicContact CD1-CG2 4.24Å; K22-V28 HydrophobicContact CG-CG2 4.26Å; V28-V48 HydrophobicContact CB-CG2 4.31Å; V28-V48 HydrophobicContact CG1-CG1 3.99Å; V28-V48 HydrophobicContact CG1-CG2 3.8Å; V28-P49 WeakPolarHBondContact O-CD 3.44Å
29K98.4Very high96.2Very high61 Ų6140.6 Ų40.627%0.26521%0.212SC..EExtended strand (participates in β ladder)trans-93.1-36.7-171.6-64.5-60.9-170.7173.30112.9V5 A27 P49 F50 D63 V64V5-K29 PolarHBondContact O-N 3.21Å; A27-K29 HydrophobicContact CB-CD 4.15Å; A27-K29 PolarHBondContact O-N 2.84Å; K29-P49 WeakPolarHBondContact O-CG 3.11Å; K29-F50 WeakPolarHBondContact O-CB 3.31Å; K29-F50 PolarHBondContact O-N 3.01Å; K29-D63 HydrophobicContact CB-CB 4.39Å; K29-D63 HydrophobicContact CD-CB 4.04Å; K29-D63 HydrophobicContact CG-CB 3.85Å; K29-D63 WeakPolarHBondContact CG-O 3.3Å; K29-V64 HydrophobicContact CB-CG2 3.95Å
30A98.5Very high96.3Very high0 Ų042.8 Ų42.80%022%0.221CC..EExtended strand (participates in β ladder)trans-141140.5-172.400000111V5 G6 V7 F50 V58 H61 V64V5-A30 PolarHBondContact O-N 3.48Å; G6-A30 CarbonylContact C-O 3.56Å; G6-A30 WeakPolarHBondContact CA-O 3.44Å; V7-A30 PolarHBondContact N-O 3.46Å; A30-F50 CarbonylContact C-O 3.6Å; A30-F50 VanDerWaalsContact CA-O 3.3Å; A30-F50 WeakPolarHBondContact CA-O 3.27Å; A30-F50 HydrophobicContact CB-CB 4.4Å; A30-F50 HydrophobicContact CB-CD1 3.79Å; A30-V58 HydrophobicContact CB-CB 4.35Å; A30-V58 HydrophobicContact CB-CG1 3.81Å; A30-V58 HydrophobicContact CB-CG2 4.2Å; A30-H61 HydrophobicContact CB-CB 4.49Å; A30-V64 HydrophobicContact CB-CG2 3.89Å
31L98.6Very high96.5Very high0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-123.4129.3176.1-177.767.5000110.2V7 I18 L42 A43 V48 F50 Y51 T52V7-L31 HydrophobicContact CB-CD1 3.93Å; V7-L31 HydrophobicContact CG1-CD1 3.96Å; V7-L31 WeakPolarHBondContact O-CA 3.48Å; I18-L31 HydrophobicContact CD1-CD1 4.02Å; L31-L42 HydrophobicContact CD1-CD2 4.38Å; L31-L42 HydrophobicContact CD2-CB 3.81Å; L31-L42 HydrophobicContact CD2-CD2 3.94Å; L31-L42 HydrophobicContact CD2-CG 3.82Å; L31-A43 HydrophobicContact CD2-CB 4.02Å; L31-V48 HydrophobicContact CB-CG1 4.01Å; L31-F50 PolarHBondContact N-O 3.33Å; L31-Y51 VanDerWaalsContact O-CA 3.27Å; L31-Y51 WeakPolarHBondContact O-CA 3.48Å; L31-T52 PolarHBondContact O-N 3.23Å; L31-T52 VanDerWaalsContact O-N 3.12Å
32W98.1Very high96.5Very high21 Ų2148.1 Ų48.18%0.0825%0.246CC..EExtended strand (participates in β ladder)trans-101130.2168.8-178.886.1000110.4V7 F8 G9 R34 T52 S53 I55 V58 L71V7-W32 PolarHBondContact O-N 2.95Å; F8-W32 HydrophobicContact CB-CE3 4.41Å; F8-W32 HydrophobicContact CD1-CB 3.4Å; F8-W32 AromaticContact CD1-CD2 3.63Å; F8-W32 HydrophobicContact CD1-CD2 3.63Å; F8-W32 AromaticContact CD1-CE3 3.81Å; F8-W32 HydrophobicContact CD1-CE3 3.81Å; F8-W32 AromaticContact CD1-CG 3.47Å; F8-W32 HydrophobicContact CD1-CG 3.47Å; F8-W32 VanDerWaalsContact CD1-CG 3.47Å; F8-W32 HydrophobicContact CE1-CB 3.55Å; F8-W32 AromaticContact CE1-CD1 3.98Å; F8-W32 HydrophobicContact CE1-CD2 4.04Å; F8-W32 AromaticContact CE1-CG 3.54Å; F8-W32 HydrophobicContact CE1-CG 3.54Å; F8-W32 HydrophobicContact CG-CB 3.95Å; F8-W32 HydrophobicContact CG-CG 4.45Å; F8-W32 HydrophobicContact CZ-CB 4.23Å; G9-W32 PolarHBondContact N-O 3.26Å; W32-R34 HydrophobicContact CH2-CB 4.08Å; W32-T52 WeakPolarHBondContact CA-O 3.45Å; W32-S53 PolarHBondContact NE1-O 3.05Å; W32-I55 HydrophobicContact CZ2-CG1 4.22Å; W32-V58 HydrophobicContact CB-CG2 3.82Å; W32-L71 HydrophobicContact CE3-CD1 4.38Å; W32-L71 HydrophobicContact CE3-CD2 3.93Å; W32-L71 HydrophobicContact CZ3-CD1 3.97Å; W32-L71 HydrophobicContact CZ3-CD2 3.51Å; W32-L71 HydrophobicContact CZ3-CG 4.43Å
33G96.1Very high96.6Very high0 Ų044.3 Ų44.30%023%0.229CC..  trans-118.6159.9167.500000110.8T35 T52 S53G33-T35 VanDerWaalsContact C-N 3.3Å; G33-T35 PolarHBondContact O-N 2.89Å; G33-T52 PolarHBondContact N-O 3.39Å; G33-T52 VanDerWaalsContact N-O 3.17Å; G33-S53 VanDerWaalsContact O-CA 3.31Å; G33-S53 WeakPolarHBondContact O-CA 3.39Å
34R90.9Very high96.8Very high107 Ų10745.8 Ų45.840%0.40423%0.231SC..SBendtrans-66.5-37.2178.8174.1-177.360.5154.78.4111.5W32 E38 Y389W32-R34 HydrophobicContact CH2-CB 4.08Å; R34-E38 WeakPolarHBondContact CB-OE2 3.22Å; R34-E38 IonicContact CZ-OE1 2.86Å; R34-E38 IonicContact NE-OE1 3.3Å; R34-E38 IonicContact NE-OE2 2.68Å; R34-E38 IonicContact NH2-OE1 3.29Å; R34-E38 PolarHBondContact NH2-OE1 2.69Å; R34-Y389 PolarHBondContact NH1-O 2.83Å
35T94.9Very high96.9Very high51 Ų5149.6 Ų49.631%0.31325%0.249SC..SBendtrans-113.8157.6170.3720000109.9G33 E37 E38 A39G33-T35 VanDerWaalsContact C-N 3.3Å; G33-T35 PolarHBondContact O-N 2.89Å; T35-E37 PolarHBondContact O-N 2.88Å; T35-E38 PolarHBondContact O-N 2.65Å; T35-E38 WeakPolarHBondContact OG1-CB 3.38Å; T35-E38 VanDerWaalsContact OG1-CG 3.27Å; T35-E38 WeakPolarHBondContact OG1-CG 3.48Å; T35-E38 PolarHBondContact OG1-N 2.97Å; T35-E38 VanDerWaalsContact OG1-N 3.1Å; T35-A39 PolarHBondContact O-N 2.93Å; T35-A39 VanDerWaalsContact O-N 3.14Å
36Q97.1Very high96.9Very high78 Ų7848.5 Ų48.536%0.36423%0.23SC..Hα-helixtrans-60.3-38.7176.3-171.463.12700111.2A39 E40 S53Q36-A39 PolarHBondContact O-N 3.01Å; Q36-E40 WeakPolarHBondContact O-CB 3.42Å; Q36-E40 PolarHBondContact O-N 3.5Å; Q36-S53 VanDerWaalsContact OE1-N 3.11Å; Q36-S53 PolarHBondContact OE1-OG 3.3Å
37E97.6Very high96.9Very high152 Ų15252.7 Ų52.771%0.7126%0.26SS*.Hα-helixtrans-65.4-47.2179.8-172.7173.6-165.800112.2T35 A39 E40 E41T35-E37 PolarHBondContact O-N 2.88Å; E37-A39 VanDerWaalsContact C-N 3.28Å; E37-A39 PolarHBondContact O-N 3.32Å; E37-E40 PolarHBondContact O-N 3.1Å; E37-E41 WeakPolarHBondContact O-CB 3.47Å; E37-E41 PolarHBondContact O-N 2.66Å
38E95.9Very high97Very high50 Ų5050.9 Ų50.923%0.23424%0.244CC..Hα-helixtrans-60.8-39.3176.2-73.6172.9-173.700111.5T10 R34 T35 L42T10-E38 HydrophobicContact CG2-CB 4.23Å; T10-E38 WeakPolarHBondContact CG2-O 3.49Å; R34-E38 WeakPolarHBondContact CB-OE2 3.22Å; R34-E38 IonicContact CZ-OE1 2.86Å; R34-E38 IonicContact NE-OE1 3.3Å; R34-E38 IonicContact NE-OE2 2.68Å; R34-E38 IonicContact NH2-OE1 3.29Å; R34-E38 PolarHBondContact NH2-OE1 2.69Å; T35-E38 PolarHBondContact O-N 2.65Å; T35-E38 WeakPolarHBondContact OG1-CB 3.38Å; T35-E38 VanDerWaalsContact OG1-CG 3.27Å; T35-E38 WeakPolarHBondContact OG1-CG 3.48Å; T35-E38 PolarHBondContact OG1-N 2.97Å; T35-E38 VanDerWaalsContact OG1-N 3.1Å; E38-L42 PolarHBondContact O-N 2.83Å
39A97.5Very high97Very high0 Ų055.4 Ų55.40%027%0.274CS..Hα-helixtrans-66.3-45.5177.300000111.2T35 Q36 E37 A43 Y51T35-A39 PolarHBondContact O-N 2.93Å; T35-A39 VanDerWaalsContact O-N 3.14Å; Q36-A39 PolarHBondContact O-N 3.01Å; E37-A39 VanDerWaalsContact C-N 3.28Å; E37-A39 PolarHBondContact O-N 3.32Å; A39-A43 WeakPolarHBondContact O-CB 3.26Å; A39-A43 PolarHBondContact O-N 2.84Å; A39-Y51 HydrophobicContact CB-CD2 4.42Å
40E98.3Very high97Very high64 Ų6455.5 Ų55.530%0.29928%0.275SS..Hα-helixtrans-63.8-46.1179.5-177.3171.9179.700112.2Q36 E37 A43 K44 Y51Q36-E40 WeakPolarHBondContact O-CB 3.42Å; Q36-E40 PolarHBondContact O-N 3.5Å; E37-E40 PolarHBondContact O-N 3.1Å; E40-A43 PolarHBondContact O-N 3.18Å; E40-K44 HydrophobicContact CG-CD 4.15Å; E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 WeakPolarHBondContact O-CG 3.37Å; E40-K44 PolarHBondContact O-N 3.15Å; E40-K44 WeakPolarHBondContact OE1-CE 3.4Å; E40-K44 IonicContact OE1-NZ 3.95Å; E40-K44 PolarHBondContact OE1-NZ 3.06Å; E40-Y51 VanDerWaalsContact CA-CD2 3.49Å; E40-Y51 HydrophobicContact CB-CD2 3.76Å; E40-Y51 HydrophobicContact CB-CE2 3.42Å; E40-Y51 VanDerWaalsContact CB-CE2 3.42Å; E40-Y51 HydrophobicContact CG-CD2 4.35Å; E40-Y51 HydrophobicContact CG-CE2 3.59Å
41E97.8Very high97Very high119 Ų11959 Ų5956%0.55629%0.288SS*.Hα-helixtrans-57.6-54.7-179.6-175.6-176179.700110.9E37 A43 K44 E45E37-E41 WeakPolarHBondContact O-CB 3.47Å; E37-E41 PolarHBondContact O-N 2.66Å; E41-A43 PolarHBondContact O-N 3.37Å; E41-K44 PolarHBondContact O-N 3.09Å; E41-E45 WeakPolarHBondContact O-CB 3.43Å; E41-E45 PolarHBondContact O-N 2.79Å
42L96.8Very high97Very high1 Ų159.1 Ų59.11%0.00529%0.289CS..Hα-helixtrans-69.3-35.2-178.7-178.162.8000112.1T10 A14 R15 I18 L31 E38 E45 M46T10-L42 HydrophobicContact CG2-CB 4.33Å; T10-L42 HydrophobicContact CG2-CD2 4.08Å; A14-L42 HydrophobicContact CB-CD2 3.96Å; R15-L42 HydrophobicContact CG-CD1 3.6Å; R15-L42 HydrophobicContact CG-CD2 4.5Å; I18-L42 HydrophobicContact CD1-CD2 4.18Å; I18-L42 HydrophobicContact CD1-CG 4.49Å; L31-L42 HydrophobicContact CD1-CD2 4.38Å; L31-L42 HydrophobicContact CD2-CB 3.81Å; L31-L42 HydrophobicContact CD2-CD2 3.94Å; L31-L42 HydrophobicContact CD2-CG 3.82Å; E38-L42 PolarHBondContact O-N 2.83Å; L42-E45 PolarHBondContact O-N 2.77Å; L42-M46 HydrophobicContact CD1-CE 4.11Å; L42-M46 HydrophobicContact CD1-CG 3.55Å; L42-M46 HydrophobicContact CG-CG 4.2Å; L42-M46 VanDerWaalsContact O-CB 3.31Å; L42-M46 WeakPolarHBondContact O-CB 3.36Å; L42-M46 WeakPolarHBondContact O-CG 3.37Å; L42-M46 PolarHBondContact O-N 3.42Å
43A97.9Very high96.9Very high1 Ų160.3 Ų60.31%0.00830%0.3CS..Hα-helixtrans-64.7-39.817700000112.1L31 A39 E40 E41 S47 V48 Y51L31-A43 HydrophobicContact CD2-CB 4.02Å; A39-A43 WeakPolarHBondContact O-CB 3.26Å; A39-A43 PolarHBondContact O-N 2.84Å; E40-A43 PolarHBondContact O-N 3.18Å; E41-A43 PolarHBondContact O-N 3.37Å; A43-S47 CarbonylContact O-C 3.53Å; A43-S47 VanDerWaalsContact O-CA 3.29Å; A43-S47 WeakPolarHBondContact O-CA 3.49Å; A43-S47 PolarHBondContact O-N 2.83Å; A43-V48 HydrophobicContact CB-CB 4.13Å; A43-V48 PolarHBondContact O-N 3.18Å; A43-Y51 HydrophobicContact CB-CD1 3.56Å; A43-Y51 HydrophobicContact CB-CE1 4.49Å; A43-Y51 HydrophobicContact CB-CG 3.76Å
44K97.6Very high96.9Very high133 Ų13367.9 Ų67.958%0.57833%0.329SS*.Hα-helixtrans-65.1-49.9173.6-75.3177.3-176.7171.10111.3E40 E41 M46 S47E40-K44 HydrophobicContact CG-CD 4.15Å; E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 WeakPolarHBondContact O-CG 3.37Å; E40-K44 PolarHBondContact O-N 3.15Å; E40-K44 WeakPolarHBondContact OE1-CE 3.4Å; E40-K44 IonicContact OE1-NZ 3.95Å; E40-K44 PolarHBondContact OE1-NZ 3.06Å; E41-K44 PolarHBondContact O-N 3.09Å; K44-M46 VanDerWaalsContact C-N 3.29Å; K44-M46 PolarHBondContact O-N 3.49Å; K44-S47 PolarHBondContact O-N 3.15Å
45E95.7Very high97.2Very high96 Ų9664.6 Ų64.645%0.44932%0.319SS..Hα-helixtrans-55.8-46.3179.2-177.7-175.9153.500111.6R15 E41 L42R15-E45 IonicContact CZ-OE1 2.61Å; R15-E45 IonicContact CZ-OE2 2.82Å; R15-E45 IonicContact NH1-OE1 3.74Å; R15-E45 PolarHBondContact NH1-OE1 3.38Å; R15-E45 IonicContact NH1-OE2 3.13Å; R15-E45 PolarHBondContact NH1-OE2 3.12Å; R15-E45 IonicContact NH2-OE2 2.68Å; R15-E45 PolarHBondContact NH2-OE2 3.23Å; E41-E45 WeakPolarHBondContact O-CB 3.43Å; E41-E45 PolarHBondContact O-N 2.79Å; L42-E45 PolarHBondContact O-N 2.77Å
46M95.5Very high97.3Very high29 Ų2966 Ų6614%0.14333%0.325CS..THydrogen-bonded Turntrans-93.43-174.7-64.3-68.6171.700113.2R15 I18 P19 K22 L42 K44 V48R15-M46 HydrophobicContact CB-CE 4.04Å; R15-M46 HydrophobicContact CG-CE 4.08Å; I18-M46 HydrophobicContact CD1-CG 4.47Å; I18-M46 HydrophobicContact CG2-CB 3.84Å; I18-M46 HydrophobicContact CG2-CG 4.16Å; I18-M46 HydrophobicContact CG2-SD 4.37Å; P19-M46 HydrophobicContact CG-CE 4.31Å; P19-M46 HydrophobicContact CG-SD 3.96Å; K22-M46 PolarHBondContact NZ-O 2.89Å; L42-M46 HydrophobicContact CD1-CE 4.11Å; L42-M46 HydrophobicContact CD1-CG 3.55Å; L42-M46 HydrophobicContact CG-CG 4.2Å; L42-M46 VanDerWaalsContact O-CB 3.31Å; L42-M46 WeakPolarHBondContact O-CB 3.36Å; L42-M46 WeakPolarHBondContact O-CG 3.37Å; L42-M46 PolarHBondContact O-N 3.42Å; K44-M46 VanDerWaalsContact C-N 3.29Å; K44-M46 PolarHBondContact O-N 3.49Å; M46-V48 HydrophobicContact CB-CG2 4.21Å
47S97Very high97.3Very high93 Ų9366.1 Ų66.165%0.6533%0.325SS*.THydrogen-bonded Turntrans51.658.8-175.1-56.60000113K22 A43 K44K22-S47 PolarHBondContact NZ-O 2.97Å; A43-S47 CarbonylContact O-C 3.53Å; A43-S47 VanDerWaalsContact O-CA 3.29Å; A43-S47 WeakPolarHBondContact O-CA 3.49Å; A43-S47 PolarHBondContact O-N 2.83Å; K44-S47 PolarHBondContact O-N 3.15Å
48V98.2Very high97.3Very high7 Ų758.9 Ų58.94%0.04229%0.291CS..  trans-102.4126.3172-178.60000108.6I18 V28 L31 A43 M46 F50I18-V48 HydrophobicContact CG2-CG2 4.44Å; V28-V48 HydrophobicContact CB-CG2 4.31Å; V28-V48 HydrophobicContact CG1-CG1 3.99Å; V28-V48 HydrophobicContact CG1-CG2 3.8Å; L31-V48 HydrophobicContact CB-CG1 4.01Å; A43-V48 HydrophobicContact CB-CB 4.13Å; A43-V48 PolarHBondContact O-N 3.18Å; M46-V48 HydrophobicContact CB-CG2 4.21Å; V48-F50 PolarHBondContact O-N 3.5Å
49P98.1Very high97.4Very high101 Ų10156.7 Ų56.766%0.65628%0.281SS*.SBendtrans-75-27.9-166.527.3-33.5000114.4V28 K29V28-P49 WeakPolarHBondContact O-CD 3.44Å; K29-P49 WeakPolarHBondContact O-CG 3.11Å
50F98.6Very high97.4Very high63 Ų6362.4 Ų62.428%0.27631%0.311SS..EExtended strand (participates in β ladder)trans-122.3135.2178.7-176.7-96.9000110.9K29 A30 L31 V48 T52 E57 V58 H61K29-F50 WeakPolarHBondContact O-CB 3.31Å; K29-F50 PolarHBondContact O-N 3.01Å; A30-F50 CarbonylContact C-O 3.6Å; A30-F50 VanDerWaalsContact CA-O 3.3Å; A30-F50 WeakPolarHBondContact CA-O 3.27Å; A30-F50 HydrophobicContact CB-CB 4.4Å; A30-F50 HydrophobicContact CB-CD1 3.79Å; L31-F50 PolarHBondContact N-O 3.33Å; V48-F50 PolarHBondContact O-N 3.5Å; F50-T52 HydrophobicContact CE1-CG2 3.64Å; F50-T52 HydrophobicContact CZ-CG2 4.16Å; F50-E57 HydrophobicContact CE1-CB 4.19Å; F50-E57 HydrophobicContact CZ-CB 4.08Å; F50-V58 HydrophobicContact CE1-CG2 4.43Å; F50-H61 AromaticContact CD1-CD2 3.77Å; F50-H61 AromaticContact CG-CD2 3.78Å
51Y98.4Very high97.4Very high72 Ų7261.3 Ų61.328%0.28231%0.306SS..EExtended strand (participates in β ladder)trans-146.5144.7177.959.5-90.2000111.4L31 A39 E40 A43L31-Y51 VanDerWaalsContact O-CA 3.27Å; L31-Y51 WeakPolarHBondContact O-CA 3.48Å; A39-Y51 HydrophobicContact CB-CD2 4.42Å; E40-Y51 VanDerWaalsContact CA-CD2 3.49Å; E40-Y51 HydrophobicContact CB-CD2 3.76Å; E40-Y51 HydrophobicContact CB-CE2 3.42Å; E40-Y51 VanDerWaalsContact CB-CE2 3.42Å; E40-Y51 HydrophobicContact CG-CD2 4.35Å; E40-Y51 HydrophobicContact CG-CE2 3.59Å; A43-Y51 HydrophobicContact CB-CD1 3.56Å; A43-Y51 HydrophobicContact CB-CE1 4.49Å; A43-Y51 HydrophobicContact CB-CG 3.76Å
52T98.2Very high97.3Very high4 Ų463.4 Ų63.43%0.02532%0.316CS..EExtended strand (participates in β ladder)trans-160.7159.5-176.6-178.20000110.8L31 W32 G33 F50 R54 E57 V58L31-T52 PolarHBondContact O-N 3.23Å; L31-T52 VanDerWaalsContact O-N 3.12Å; W32-T52 WeakPolarHBondContact CA-O 3.45Å; G33-T52 PolarHBondContact N-O 3.39Å; G33-T52 VanDerWaalsContact N-O 3.17Å; F50-T52 HydrophobicContact CE1-CG2 3.64Å; F50-T52 HydrophobicContact CZ-CG2 4.16Å; T52-R54 WeakPolarHBondContact CG2-O 3.44Å; T52-R54 PolarHBondContact OG1-N 2.91Å; T52-E57 WeakPolarHBondContact CB-OE2 3.5Å; T52-E57 HydrophobicContact CG2-CB 3.82Å; T52-E57 PolarHBondContact OG1-OE2 2.84Å; T52-V58 HydrophobicContact CG2-CG2 3.47Å; T52-V58 VanDerWaalsContact CG2-CG2 3.47Å
53S96.8Very high97.3Very high45 Ų4565.8 Ų65.832%0.31533%0.329SS..SBendtrans-91.80.1167.2520000113.7W32 G33 Q36W32-S53 PolarHBondContact NE1-O 3.05Å; G33-S53 VanDerWaalsContact O-CA 3.31Å; G33-S53 WeakPolarHBondContact O-CA 3.39Å; Q36-S53 VanDerWaalsContact OE1-N 3.11Å; Q36-S53 PolarHBondContact OE1-OG 3.3Å
54R96.8Very high97.3Very high160 Ų16065.8 Ų65.860%0.60433%0.328SS*.  trans-101.9117.3-175.9-62.9173.861.388.56.5110.3T52 D56 E57T52-R54 WeakPolarHBondContact CG2-O 3.44Å; T52-R54 PolarHBondContact OG1-N 2.91Å; R54-D56 VanDerWaalsContact C-N 3.34Å; R54-D56 PolarHBondContact O-N 3.47Å; R54-E57 HydrophobicContact CB-CB 4.31Å; R54-E57 HydrophobicContact CB-CG 4.11Å; R54-E57 WeakPolarHBondContact CD-OE1 3.23Å; R54-E57 IonicContact NE-OE1 3.56Å; R54-E57 PolarHBondContact NE-OE1 3.21Å; R54-E57 PolarHBondContact O-N 3.32Å
55I95.9Very high97.3Very high38 Ų3859.9 Ų59.920%0.19530%0.303CS..Hα-helixtrans-55.5-49.8-175-66.7172.1000111.3F8 W32 E57 V58 L59 I79F8-I55 HydrophobicContact CE1-CB 4.21Å; F8-I55 HydrophobicContact CE1-CG1 4.18Å; F8-I55 HydrophobicContact CE1-CG2 3.87Å; F8-I55 HydrophobicContact CZ-CG2 4.19Å; W32-I55 HydrophobicContact CZ2-CG1 4.22Å; I55-E57 PolarHBondContact O-N 3.08Å; I55-V58 PolarHBondContact O-N 2.85Å; I55-L59 HydrophobicContact CG2-CD1 3.78Å; I55-L59 HydrophobicContact CG2-CG 4.12Å; I55-L59 WeakPolarHBondContact O-CG 3.48Å; I55-L59 PolarHBondContact O-N 3.38Å; I55-L59 VanDerWaalsContact O-N 3.11Å; I55-I79 HydrophobicContact CD1-CD1 4.1Å; I55-I79 HydrophobicContact CD1-CG1 4.3Å; I55-I79 HydrophobicContact CG1-CD1 4.31Å; I55-I79 HydrophobicContact CG2-CD1 4.48Å; I55-I79 HydrophobicContact CG2-CG1 4.42Å
56D96.7Very high97.5Very high81 Ų8155.3 Ų55.343%0.43328%0.282SS..Hα-helixtrans-67-24.3-172.2-59.9-32.4000112.3R54 L59 L60 K82R54-D56 VanDerWaalsContact C-N 3.34Å; R54-D56 PolarHBondContact O-N 3.47Å; D56-L59 PolarHBondContact O-N 3.36Å; D56-L60 HydrophobicContact CB-CD1 4.45Å; D56-L60 WeakPolarHBondContact O-CB 3.48Å; D56-L60 VanDerWaalsContact O-CG 3.24Å; D56-L60 WeakPolarHBondContact O-CG 3.42Å; D56-L60 PolarHBondContact O-N 3.48Å; D56-K82 IonicContact OD1-NZ 3.83Å; D56-K82 PolarHBondContact OD1-NZ 3.5Å; D56-K82 IonicContact OD2-NZ 2.89Å
57E97.9Very high97.6Very high79 Ų7954 Ų5437%0.36928%0.275SS..Hα-helixtrans-70.3-38.1176.8-78172.7-161.800112.5F50 T52 R54 I55 H61F50-E57 HydrophobicContact CE1-CB 4.19Å; F50-E57 HydrophobicContact CZ-CB 4.08Å; T52-E57 WeakPolarHBondContact CB-OE2 3.5Å; T52-E57 HydrophobicContact CG2-CB 3.82Å; T52-E57 PolarHBondContact OG1-OE2 2.84Å; R54-E57 HydrophobicContact CB-CB 4.31Å; R54-E57 HydrophobicContact CB-CG 4.11Å; R54-E57 WeakPolarHBondContact CD-OE1 3.23Å; R54-E57 IonicContact NE-OE1 3.56Å; R54-E57 PolarHBondContact NE-OE1 3.21Å; R54-E57 PolarHBondContact O-N 3.32Å; I55-E57 PolarHBondContact O-N 3.08Å; E57-H61 PolarHBondContact O-N 3.39Å
58V97.8Very high97.6Very high0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-70.9-44.5172.3175.20000110.5F8 A30 W32 F50 T52 I55 L60 H61F8-V58 HydrophobicContact CD2-CG1 4.29Å; F8-V58 HydrophobicContact CE1-CB 4.48Å; F8-V58 HydrophobicContact CE2-CB 4.04Å; F8-V58 HydrophobicContact CE2-CG1 3.46Å; F8-V58 VanDerWaalsContact CE2-CG1 3.46Å; F8-V58 HydrophobicContact CZ-CB 3.7Å; F8-V58 HydrophobicContact CZ-CG1 3.69Å; A30-V58 HydrophobicContact CB-CB 4.35Å; A30-V58 HydrophobicContact CB-CG1 3.81Å; A30-V58 HydrophobicContact CB-CG2 4.2Å; W32-V58 HydrophobicContact CB-CG2 3.82Å; F50-V58 HydrophobicContact CE1-CG2 4.43Å; T52-V58 HydrophobicContact CG2-CG2 3.47Å; T52-V58 VanDerWaalsContact CG2-CG2 3.47Å; I55-V58 PolarHBondContact O-N 2.85Å; V58-L60 VanDerWaalsContact C-N 3.35Å; V58-L60 PolarHBondContact O-N 3.39Å; V58-H61 WeakPolarHBondContact O-CB 3.26Å; V58-H61 PolarHBondContact O-N 3.04Å
59L97.6Very high97.6Very high4 Ų449.3 Ų49.32%0.02124%0.243CC..Hα-helixtrans-64.4-37.3-178.9-68.5-170.6000112.4F8 I55 D56 V67 I79 K82 T83 I86 K88F8-L59 HydrophobicContact CE2-CD2 3.58Å; F8-L59 HydrophobicContact CE2-CG 4.3Å; F8-L59 HydrophobicContact CZ-CD2 3.6Å; F8-L59 HydrophobicContact CZ-CG 3.8Å; I55-L59 HydrophobicContact CG2-CD1 3.78Å; I55-L59 HydrophobicContact CG2-CG 4.12Å; I55-L59 WeakPolarHBondContact O-CG 3.48Å; I55-L59 PolarHBondContact O-N 3.38Å; I55-L59 VanDerWaalsContact O-N 3.11Å; D56-L59 PolarHBondContact O-N 3.36Å; L59-V67 HydrophobicContact CD2-CG1 4.28Å; L59-V67 HydrophobicContact CD2-CG2 4.04Å; L59-I79 HydrophobicContact CD2-CG2 4.33Å; L59-K82 HydrophobicContact CD1-CB 3.65Å; L59-K82 HydrophobicContact CD1-CD 4.24Å; L59-T83 VanDerWaalsContact CD2-OG1 3.26Å; L59-T83 WeakPolarHBondContact CD2-OG1 3.38Å; L59-I86 HydrophobicContact CB-CD1 3.7Å; L59-I86 WeakPolarHBondContact O-CD1 3.46Å; L59-K88 WeakPolarHBondContact O-CE 3.26Å; L59-K88 PolarHBondContact O-NZ 2.9Å
60L97.7Very high97.2Very high121 Ų12145.7 Ų45.763%0.63422%0.218SC*.THydrogen-bonded Turntrans-91.20.2-180-62.1173.8000113.5D56 V58 Q62 I86D56-L60 HydrophobicContact CB-CD1 4.45Å; D56-L60 WeakPolarHBondContact O-CB 3.48Å; D56-L60 VanDerWaalsContact O-CG 3.24Å; D56-L60 WeakPolarHBondContact O-CG 3.42Å; D56-L60 PolarHBondContact O-N 3.48Å; V58-L60 VanDerWaalsContact C-N 3.35Å; V58-L60 PolarHBondContact O-N 3.39Å; L60-Q62 PolarHBondContact O-N 2.72Å; L60-I86 HydrophobicContact CD2-CD1 4.39Å; L60-I86 HydrophobicContact CD2-CG2 4.49Å
61H98Very high97Very high40 Ų4043.4 Ų43.419%0.18521%0.209CC..  trans-57.8126.9176.8-165.8-74.4000110.5A30 F50 E57 V58 D63 V64 K88A30-H61 HydrophobicContact CB-CB 4.49Å; F50-H61 AromaticContact CD1-CD2 3.77Å; F50-H61 AromaticContact CG-CD2 3.78Å; E57-H61 PolarHBondContact O-N 3.39Å; V58-H61 WeakPolarHBondContact O-CB 3.26Å; V58-H61 PolarHBondContact O-N 3.04Å; H61-D63 VanDerWaalsContact C-N 3.27Å; H61-D63 IonicContact CE1-OD2 3.69Å; H61-D63 PolarHBondContact ND1-N 2.75Å; H61-D63 PolarHBondContact O-N 2.92Å; H61-V64 HydrophobicContact CB-CB 4.31Å; H61-V64 HydrophobicContact CB-CG2 3.85Å; H61-V64 PolarHBondContact O-N 3.32Å; H61-V64 VanDerWaalsContact O-N 3.11Å; H61-K88 PolarHBondContact O-NZ 3.01Å
62Q96.4Very high96.6Very high164 Ų16442 Ų4277%0.76621%0.209SC*.THydrogen-bonded Turntrans-62.8-31.8-170.367.3-175.7-3.100113.6L60L60-Q62 PolarHBondContact O-N 2.72Å
63D97Very high96.4Very high51 Ų5142 Ų4227%0.27321%0.209SC..THydrogen-bonded Turntrans-89.54.2-179.9-62.6-62.3000114G4 K29 H61G4-D63 WeakPolarHBondContact CA-O 3.45Å; K29-D63 HydrophobicContact CB-CB 4.39Å; K29-D63 HydrophobicContact CD-CB 4.04Å; K29-D63 HydrophobicContact CG-CB 3.85Å; K29-D63 WeakPolarHBondContact CG-O 3.3Å; H61-D63 VanDerWaalsContact C-N 3.27Å; H61-D63 IonicContact CE1-OD2 3.69Å; H61-D63 PolarHBondContact ND1-N 2.75Å; H61-D63 PolarHBondContact O-N 2.92Å
64V98.1Very high96.1Very high0 Ų040.8 Ų40.80%020%0.2CC..  trans-98.7125.6178.4171.70000109.4G4 K29 A30 H61 V67 K88G4-V64 WeakPolarHBondContact O-CA 3.39Å; K29-V64 HydrophobicContact CB-CG2 3.95Å; A30-V64 HydrophobicContact CB-CG2 3.89Å; H61-V64 HydrophobicContact CB-CB 4.31Å; H61-V64 HydrophobicContact CB-CG2 3.85Å; H61-V64 PolarHBondContact O-N 3.32Å; H61-V64 VanDerWaalsContact O-N 3.11Å; V64-V67 HydrophobicContact CG1-CG2 4Å; V64-K88 HydrophobicContact CG1-CD 4.26Å; V64-K88 WeakPolarHBondContact O-CD 3.48Å; V64-K88 WeakPolarHBondContact O-CE 3.39Å; V64-K88 PolarHBondContact O-NZ 2.82Å
65D97.7Very high95.9Very high10 Ų1035.8 Ų35.85%0.05319%0.185CC..  trans-124.6-22.9178-63.4-64.5000112.1P3 G4 N89 R323 R324P3-D65 HydrophobicContact CB-CB 3.65Å; G4-D65 PolarHBondContact O-N 3.43Å; D65-N89 PolarHBondContact O-N 3.41Å; D65-R323 HydrophobicContact CB-CB 4.4Å; D65-R323 WeakPolarHBondContact OD2-CB 3.48Å; D65-R324 HydrophobicContact CB-CG 3.95Å; D65-R324 WeakPolarHBondContact OD1-CG 3.42Å; D65-R324 IonicContact OD1-CZ 3.11Å; D65-R324 IonicContact OD1-NE 2.67Å; D65-R324 PolarHBondContact OD1-NE 2.89Å; D65-R324 IonicContact OD1-NH2 2.74Å
66L98.2Very high95.8Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-120.4134.2175.1174.860.3000110P3 G4 V5 G6 F26 N89 I91 M115 V313 F317P3-L66 HydrophobicContact CB-CB 4.03Å; P3-L66 HydrophobicContact CG-CB 4.08Å; P3-L66 HydrophobicContact CG-CD2 4.41Å; G4-L66 PolarHBondContact O-N 3.15Å; G4-L66 VanDerWaalsContact O-N 3.17Å; V5-L66 CarbonylContact C-O 3.57Å; V5-L66 VanDerWaalsContact CA-O 3.29Å; V5-L66 WeakPolarHBondContact CA-O 3.44Å; V5-L66 HydrophobicContact CG2-CB 4.33Å; V5-L66 HydrophobicContact CG2-CD2 4.17Å; V5-L66 HydrophobicContact CG2-CG 4.48Å; G6-L66 PolarHBondContact N-O 3.19Å; F26-L66 HydrophobicContact CE1-CD2 4.3Å; L66-N89 HydrophobicContact CD1-CB 3.73Å; L66-I91 HydrophobicContact CD1-CD1 4.29Å; L66-I91 HydrophobicContact CD1-CG1 4.11Å; L66-I91 HydrophobicContact CD2-CD1 4.25Å; L66-M115 HydrophobicContact CD1-CE 3.38Å; L66-V313 HydrophobicContact CD2-CG1 4.08Å; L66-F317 HydrophobicContact CD2-CE2 4.17Å
67V98.4Very high95.7Very high0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-117.1125.5177.6-178.50000110.5G6 F8 L59 V64 I69 T83 K88 N89 V90 I91G6-V67 CarbonylContact O-C 3.04Å; G6-V67 VanDerWaalsContact O-CA 3.32Å; G6-V67 WeakPolarHBondContact O-CA 3.2Å; F8-V67 HydrophobicContact CD2-CG1 3.48Å; F8-V67 VanDerWaalsContact CD2-CG1 3.48Å; F8-V67 HydrophobicContact CE2-CG1 3.56Å; L59-V67 HydrophobicContact CD2-CG1 4.28Å; L59-V67 HydrophobicContact CD2-CG2 4.04Å; V64-V67 HydrophobicContact CG1-CG2 4Å; V67-I69 HydrophobicContact CG1-CG1 3.95Å; V67-T83 HydrophobicContact CB-CG2 3.7Å; V67-T83 HydrophobicContact CG1-CG2 4.45Å; V67-T83 HydrophobicContact CG2-CG2 3.59Å; V67-K88 HydrophobicContact CG2-CD 4.49Å; V67-N89 PolarHBondContact N-O 3.15Å; V67-V90 WeakPolarHBondContact O-CA 3.4Å; V67-I91 PolarHBondContact O-N 3.27Å
68C98Very high95.5Very high2 Ų232.8 Ų32.81%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-105114.6174.2-62.90000110.1V5 G6 V7 F8 I91V5-C68 HydrophobicContact CG1-CB 4.5Å; G6-C68 PolarHBondContact O-N 2.63Å; V7-C68 HydrophobicContact CG2-CB 4.41Å; F8-C68 PolarHBondContact N-O 3.03Å; C68-I91 WeakPolarHBondContact CA-O 3.49Å
69I96.9Very high95.5Very high1 Ų132.9 Ų32.91%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-101.7105.8-176.2-53.1170.4000109.9V67 L71 T76 I79 A80 V90 I91 D93V67-I69 HydrophobicContact CG1-CG1 3.95Å; I69-L71 HydrophobicContact CG2-CB 4.17Å; I69-L71 HydrophobicContact CG2-CD1 4.17Å; I69-L71 HydrophobicContact CG2-CG 3.97Å; I69-T76 HydrophobicContact CG2-CG2 4.06Å; I69-I79 HydrophobicContact CD1-CB 3.93Å; I69-I79 HydrophobicContact CD1-CG2 3.72Å; I69-I79 HydrophobicContact CG1-CB 4.49Å; I69-I79 HydrophobicContact CG1-CG2 3.98Å; I69-A80 HydrophobicContact CD1-CB 3.78Å; I69-V90 HydrophobicContact CD1-CG2 3.58Å; I69-V90 HydrophobicContact CG1-CG2 4.18Å; I69-I91 PolarHBondContact N-O 3.47Å; I69-D93 PolarHBondContact O-N 3.48Å
70N91.1Very high95.5Very high24 Ų2432.7 Ų32.713%0.12817%0.165CC..  trans-116.953.9-179-60.9-83.2000110.2F8 T13F8-N70 CarbonylContact O-C 3.58Å; F8-N70 WeakPolarHBondContact O-CA 3.42Å; F8-N70 PolarHBondContact O-N 2.89Å; T13-N70 HydrophobicContact CG2-CB 4.22Å; T13-N70 WeakPolarHBondContact CG2-OD1 3.42Å
71L92.6Very high95.5Very high15 Ų1529 Ų298%0.07915%0.147CC..  trans-108.4160-173.5-64.4-171.7000112.3F8 G9 W32 I69 L75 I79F8-L71 HydrophobicContact CB-CD1 4.14Å; F8-L71 HydrophobicContact CB-CD2 4.26Å; F8-L71 HydrophobicContact CB-CG 4.07Å; G9-L71 VanDerWaalsContact CA-CD2 3.44Å; W32-L71 HydrophobicContact CE3-CD1 4.38Å; W32-L71 HydrophobicContact CE3-CD2 3.93Å; W32-L71 HydrophobicContact CZ3-CD1 3.97Å; W32-L71 HydrophobicContact CZ3-CD2 3.51Å; W32-L71 HydrophobicContact CZ3-CG 4.43Å; I69-L71 HydrophobicContact CG2-CB 4.17Å; I69-L71 HydrophobicContact CG2-CD1 4.17Å; I69-L71 HydrophobicContact CG2-CG 3.97Å; L71-L75 HydrophobicContact CB-CB 4.2Å; L71-L75 HydrophobicContact CD1-CB 4.01Å; L71-I79 HydrophobicContact CD1-CD1 3.26Å; L71-I79 HydrophobicContact CD1-CG1 4.36Å
72P91.4Very high95.4Very high44 Ų4430.5 Ų30.529%0.28615%0.153SC..  trans-46.3137.6163.3-31.137.6000112.2P74 L75 T76 W162P72-P74 VanDerWaalsContact C-N 3.3Å; P72-P74 WeakPolarHBondContact O-CD 3.46Å; P72-L75 HydrophobicContact CG-CD1 4.47Å; P72-L75 PolarHBondContact O-N 2.98Å; P72-T76 PolarHBondContact O-OG1 2.74Å; P72-W162 HydrophobicContact CB-CB 4.37Å; P72-W162 VanDerWaalsContact CB-CD1 3.43Å; P72-W162 HydrophobicContact CB-CD2 4.33Å; P72-W162 HydrophobicContact CB-CG 3.79Å; P72-W162 HydrophobicContact CG-CG 4.38Å
73P93.8Very high95.5Very high4 Ų422.7 Ų22.73%0.02612%0.117CC..Hα-helixtrans-49.6-36.4-172.7-25.531.4000116.5L75 T76 T95 A96 W162P73-L75 VanDerWaalsContact C-N 3.27Å; P73-L75 PolarHBondContact O-N 3.21Å; P73-T76 PolarHBondContact O-N 2.99Å; P73-T76 PolarHBondContact O-OG1 2.67Å; P73-T95 WeakPolarHBondContact O-CA 3.33Å; P73-T95 PolarHBondContact O-OG1 3.13Å; P73-A96 HydrophobicContact CB-CB 4.08Å; P73-A96 PolarHBondContact O-N 2.88Å; P73-W162 VanDerWaalsContact CD-CE3 3.44Å; P73-W162 HydrophobicContact CG-CD2 4.42Å; P73-W162 HydrophobicContact CG-CE3 3.82Å; P73-W162 HydrophobicContact CG-CH2 4.15Å; P73-W162 HydrophobicContact CG-CZ3 3.68Å
74P91.1Very high95.5Very high19 Ų1920.2 Ų20.212%0.12310%0.104CC..Hα-helixtrans-67.3-21.9179.7-24.837000114.9P72 A96 M168 M386P72-P74 VanDerWaalsContact C-N 3.3Å; P72-P74 WeakPolarHBondContact O-CD 3.46Å; P74-A96 HydrophobicContact CB-CB 4.42Å; P74-A96 HydrophobicContact CG-CB 4.03Å; P74-M168 HydrophobicContact CB-CE 4.16Å; P74-M168 HydrophobicContact CB-SD 4.46Å; P74-M168 WeakPolarHBondContact CD-O 3.45Å; P74-M168 HydrophobicContact CG-CB 4.01Å; P74-M168 HydrophobicContact CG-CE 3.68Å; P74-M168 WeakPolarHBondContact CG-O 3.19Å; P74-M168 HydrophobicContact CG-SD 3.85Å; P74-M386 HydrophobicContact CB-CE 4.41Å; P74-M386 HydrophobicContact CB-CG 4.37Å; P74-M386 HydrophobicContact CB-SD 3.61Å
75L91.5Very high95.5Very high55 Ų5522.1 Ų22.129%0.28812%0.123SC..Hα-helixtrans-90.6-20.2-178.1-65.3175.3000112.6L71 P72 P73 R77 M386L71-L75 HydrophobicContact CB-CB 4.2Å; L71-L75 HydrophobicContact CD1-CB 4.01Å; P72-L75 HydrophobicContact CG-CD1 4.47Å; P72-L75 PolarHBondContact O-N 2.98Å; P73-L75 VanDerWaalsContact C-N 3.27Å; P73-L75 PolarHBondContact O-N 3.21Å; L75-R77 PolarHBondContact O-N 3.34Å; L75-M386 HydrophobicContact CD2-CE 4.27Å; L75-M386 HydrophobicContact CD2-SD 3.35Å; L75-M386 WeakPolarHBondContact CD2-SD 3.2Å; L75-M386 HydrophobicContact CG-SD 3.84Å
76T93.7Very high95.4Very high0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-63-47.1-166-56.80000113.5I69 P72 P73 Q78 I79 A80 C92 D93I69-T76 HydrophobicContact CG2-CG2 4.06Å; P72-T76 PolarHBondContact O-OG1 2.74Å; P73-T76 PolarHBondContact O-N 2.99Å; P73-T76 PolarHBondContact O-OG1 2.67Å; T76-Q78 PolarHBondContact O-N 3.3Å; T76-I79 PolarHBondContact O-N 2.76Å; T76-A80 PolarHBondContact O-N 3.32Å; T76-C92 WeakPolarHBondContact CG2-SG 3.49Å; T76-D93 VanDerWaalsContact CG2-O 3.29Å; T76-D93 WeakPolarHBondContact CG2-O 3.43Å
77R94.9Very high95.3Very high43 Ų4325.8 Ų25.816%0.16215%0.147CC..Hα-helixtrans-54.9-50.9-176.9173.8-163.669.282.9-2113.1L75 I79 A80 V81 D100 R103 M104L75-R77 PolarHBondContact O-N 3.34Å; R77-I79 PolarHBondContact O-N 3.46Å; R77-A80 PolarHBondContact O-N 2.8Å; R77-V81 HydrophobicContact CG-CG2 4.1Å; R77-V81 WeakPolarHBondContact O-CB 3.21Å; R77-V81 WeakPolarHBondContact O-CG2 3.13Å; R77-V81 PolarHBondContact O-N 3.49Å; R77-D100 HydrophobicContact CB-CB 4Å; R77-D100 WeakPolarHBondContact CD-OD1 3.34Å; R77-D100 HydrophobicContact CG-CB 4.33Å; R77-D100 WeakPolarHBondContact CG-O 3.27Å; R77-D100 IonicContact NE-OD1 2.82Å; R77-D100 PolarHBondContact NE-OD1 3.05Å; R77-D100 VanDerWaalsContact NE-OD1 3.16Å; R77-R103 HydrophobicContact CG-CB 4.27Å; R77-M104 HydrophobicContact CB-CG 4.11Å; R77-M104 HydrophobicContact CB-SD 4.12Å; R77-M104 HydrophobicContact CG-CG 3.96Å
78Q94.5Very high95.3Very high91 Ų9126.3 Ų26.343%0.42515%0.149SC..Hα-helixtrans-60.1-39.6-171.9-176.3-178.511.700110.7T76 K82T76-Q78 PolarHBondContact O-N 3.3Å; Q78-K82 HydrophobicContact CG-CD 4.48Å; Q78-K82 WeakPolarHBondContact O-CB 3.48Å; Q78-K82 VanDerWaalsContact O-CG 3.31Å; Q78-K82 WeakPolarHBondContact O-CG 3.45Å; Q78-K82 PolarHBondContact O-N 3.38Å; Q78-K82 VanDerWaalsContact O-N 3.15Å
79I96.4Very high95.3Very high2 Ų226.2 Ų26.21%0.0115%0.149CC..Hα-helixtrans-73-46-180-52-165.4000109.9F8 I55 L59 I69 L71 T76 R77 V81 K82 T83F8-I79 HydrophobicContact CD1-CD1 3.35Å; F8-I79 HydrophobicContact CD1-CG2 4Å; F8-I79 HydrophobicContact CD2-CG2 4.08Å; F8-I79 HydrophobicContact CE1-CD1 3.74Å; F8-I79 HydrophobicContact CE1-CG2 3.97Å; F8-I79 HydrophobicContact CE2-CG2 4.04Å; F8-I79 HydrophobicContact CG-CD1 4.08Å; F8-I79 HydrophobicContact CG-CG2 4.06Å; F8-I79 HydrophobicContact CZ-CG2 3.99Å; I55-I79 HydrophobicContact CD1-CD1 4.1Å; I55-I79 HydrophobicContact CD1-CG1 4.3Å; I55-I79 HydrophobicContact CG1-CD1 4.31Å; I55-I79 HydrophobicContact CG2-CD1 4.48Å; I55-I79 HydrophobicContact CG2-CG1 4.42Å; L59-I79 HydrophobicContact CD2-CG2 4.33Å; I69-I79 HydrophobicContact CD1-CB 3.93Å; I69-I79 HydrophobicContact CD1-CG2 3.72Å; I69-I79 HydrophobicContact CG1-CB 4.49Å; I69-I79 HydrophobicContact CG1-CG2 3.98Å; L71-I79 HydrophobicContact CD1-CD1 3.26Å; L71-I79 HydrophobicContact CD1-CG1 4.36Å; T76-I79 PolarHBondContact O-N 2.76Å; R77-I79 PolarHBondContact O-N 3.46Å; I79-V81 PolarHBondContact O-N 3.38Å; I79-K82 PolarHBondContact O-N 2.91Å; I79-T83 WeakPolarHBondContact O-CB 3.41Å; I79-T83 PolarHBondContact O-N 3.42Å; I79-T83 PolarHBondContact O-OG1 3.47Å
80A97.8Very high95.4Very high0 Ų026.1 Ų26.10%015%0.149CC..Hα-helixtrans-58.1-47.3179.200000112.5I69 T76 R77 T83 L84 V90 M104 F337I69-A80 HydrophobicContact CD1-CB 3.78Å; T76-A80 PolarHBondContact O-N 3.32Å; R77-A80 PolarHBondContact O-N 2.8Å; A80-T83 PolarHBondContact O-N 2.94Å; A80-L84 PolarHBondContact O-N 2.78Å; A80-L84 VanDerWaalsContact O-N 3.13Å; A80-V90 HydrophobicContact CB-CG2 4.48Å; A80-M104 HydrophobicContact CB-CE 3.97Å; A80-M104 HydrophobicContact CB-CG 4.15Å; A80-M104 HydrophobicContact CB-SD 4.39Å; A80-F337 HydrophobicContact CB-CE2 4.32Å; A80-F337 HydrophobicContact CB-CZ 4.15Å
81V97.2Very high95.7Very high44 Ų4425.5 Ų25.527%0.26715%0.145SC..Hα-helixtrans-63.9-44.1178.4173.40000111.2R77 I79 L84 G85 M104 A107R77-V81 HydrophobicContact CG-CG2 4.1Å; R77-V81 WeakPolarHBondContact O-CB 3.21Å; R77-V81 WeakPolarHBondContact O-CG2 3.13Å; R77-V81 PolarHBondContact O-N 3.49Å; I79-V81 PolarHBondContact O-N 3.38Å; V81-L84 PolarHBondContact O-N 2.94Å; V81-G85 PolarHBondContact O-N 3.3Å; V81-M104 HydrophobicContact CG2-CG 4.33Å; V81-A107 HydrophobicContact CB-CB 4.39Å; V81-A107 HydrophobicContact CG1-CB 4.13Å; V81-A107 HydrophobicContact CG2-CB 4.09Å
82K97.4Very high95.8Very high71 Ų7124.9 Ų24.931%0.30914%0.142SC..Hα-helixtrans-61.9-45.3176.4-81.6-176.1163.6-1600111.9D56 L59 Q78 I79 L84 G85 I86D56-K82 IonicContact OD1-NZ 3.83Å; D56-K82 PolarHBondContact OD1-NZ 3.5Å; D56-K82 IonicContact OD2-NZ 2.89Å; L59-K82 HydrophobicContact CD1-CB 3.65Å; L59-K82 HydrophobicContact CD1-CD 4.24Å; Q78-K82 HydrophobicContact CG-CD 4.48Å; Q78-K82 WeakPolarHBondContact O-CB 3.48Å; Q78-K82 VanDerWaalsContact O-CG 3.31Å; Q78-K82 WeakPolarHBondContact O-CG 3.45Å; Q78-K82 PolarHBondContact O-N 3.38Å; Q78-K82 VanDerWaalsContact O-N 3.15Å; I79-K82 PolarHBondContact O-N 2.91Å; K82-L84 PolarHBondContact O-N 3.35Å; K82-G85 PolarHBondContact O-N 3.09Å; K82-I86 WeakPolarHBondContact O-CG1 3.22Å; K82-I86 PolarHBondContact O-N 3.41Å; K82-I86 VanDerWaalsContact O-N 3.1Å
83T98Very high95.8Very high0 Ų024.4 Ų24.40%014%0.137CC..Hα-helixtrans-55.1-49.4178.3-64.30000111.6L59 V67 I79 A80 I86 G87 K88 V90L59-T83 VanDerWaalsContact CD2-OG1 3.26Å; L59-T83 WeakPolarHBondContact CD2-OG1 3.38Å; V67-T83 HydrophobicContact CB-CG2 3.7Å; V67-T83 HydrophobicContact CG1-CG2 4.45Å; V67-T83 HydrophobicContact CG2-CG2 3.59Å; I79-T83 WeakPolarHBondContact O-CB 3.41Å; I79-T83 PolarHBondContact O-N 3.42Å; I79-T83 PolarHBondContact O-OG1 3.47Å; A80-T83 PolarHBondContact O-N 2.94Å; T83-I86 WeakPolarHBondContact O-CG1 3.39Å; T83-I86 PolarHBondContact O-N 2.9Å; T83-G87 PolarHBondContact O-N 2.88Å; T83-K88 HydrophobicContact CG2-CB 3.76Å; T83-K88 PolarHBondContact O-N 2.93Å; T83-K88 VanDerWaalsContact O-N 3.11Å; T83-V90 HydrophobicContact CG2-CB 3.92Å; T83-V90 HydrophobicContact CG2-CG2 4.27Å
84L97.9Very high95.6Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-64.8-42.8177.4-69.1171.6000111.4A80 V81 K82 I86 G87 V90 A107 A108 Y111 L114 F337A80-L84 PolarHBondContact O-N 2.78Å; A80-L84 VanDerWaalsContact O-N 3.13Å; V81-L84 PolarHBondContact O-N 2.94Å; K82-L84 PolarHBondContact O-N 3.35Å; L84-I86 PolarHBondContact O-N 2.85Å; L84-I86 VanDerWaalsContact O-N 3.14Å; L84-G87 PolarHBondContact O-N 2.83Å; L84-V90 HydrophobicContact CD1-CG1 4.34Å; L84-V90 HydrophobicContact CD2-CG1 3.87Å; L84-V90 HydrophobicContact CG-CG1 4.01Å; L84-A107 HydrophobicContact CD1-CB 3.97Å; L84-A108 HydrophobicContact CD1-CB 4.16Å; L84-Y111 HydrophobicContact CB-CD2 3.93Å; L84-L114 HydrophobicContact CB-CD1 4.48Å; L84-L114 HydrophobicContact CD2-CB 3.86Å; L84-L114 HydrophobicContact CD2-CD1 3.86Å; L84-L114 WeakPolarHBondContact O-CD1 2.92Å; L84-F337 HydrophobicContact CD1-CD2 4.47Å; L84-F337 HydrophobicContact CD1-CE2 3.83Å
85G96.9Very high95.8Very high40 Ų4024.6 Ų24.641%0.41214%0.135SC..Hα-helixtrans-59.9-23.1178.400000115.1V81 K82V81-G85 PolarHBondContact O-N 3.3Å; K82-G85 PolarHBondContact O-N 3.09Å
86I96.4Very high95.8Very high65 Ų6522.3 Ų22.333%0.33312%0.124SC..THydrogen-bonded Turntrans-100.48.9175.165.8163.6000113.4L59 L60 K82 T83 L84 K88L59-I86 HydrophobicContact CB-CD1 3.7Å; L59-I86 WeakPolarHBondContact O-CD1 3.46Å; L60-I86 HydrophobicContact CD2-CD1 4.39Å; L60-I86 HydrophobicContact CD2-CG2 4.49Å; K82-I86 WeakPolarHBondContact O-CG1 3.22Å; K82-I86 PolarHBondContact O-N 3.41Å; K82-I86 VanDerWaalsContact O-N 3.1Å; T83-I86 WeakPolarHBondContact O-CG1 3.39Å; T83-I86 PolarHBondContact O-N 2.9Å; L84-I86 PolarHBondContact O-N 2.85Å; L84-I86 VanDerWaalsContact O-N 3.14Å; I86-K88 HydrophobicContact CD1-CD 3.81Å; I86-K88 HydrophobicContact CD1-CG 4.15Å; I86-K88 HydrophobicContact CG1-CD 4.35Å; I86-K88 HydrophobicContact CG1-CG 4.14Å
87G96.3Very high95.8Very high22 Ų2223.3 Ų23.323%0.22713%0.13CC..THydrogen-bonded Turntrans81.231173.700000115T83 L84T83-G87 PolarHBondContact O-N 2.88Å; L84-G87 PolarHBondContact O-N 2.83Å
88K97.7Very high95.8Very high10 Ų1022 Ų224%0.04313%0.127CC..  trans-113.9148.9179.1-63.6-169.6-178.9-162.40112.3L59 H61 V64 V67 T83 I86L59-K88 WeakPolarHBondContact O-CE 3.26Å; L59-K88 PolarHBondContact O-NZ 2.9Å; H61-K88 PolarHBondContact O-NZ 3.01Å; V64-K88 HydrophobicContact CG1-CD 4.26Å; V64-K88 WeakPolarHBondContact O-CD 3.48Å; V64-K88 WeakPolarHBondContact O-CE 3.39Å; V64-K88 PolarHBondContact O-NZ 2.82Å; V67-K88 HydrophobicContact CG2-CD 4.49Å; T83-K88 HydrophobicContact CG2-CB 3.76Å; T83-K88 PolarHBondContact O-N 2.93Å; T83-K88 VanDerWaalsContact O-N 3.11Å; I86-K88 HydrophobicContact CD1-CD 3.81Å; I86-K88 HydrophobicContact CD1-CG 4.15Å; I86-K88 HydrophobicContact CG1-CD 4.35Å; I86-K88 HydrophobicContact CG1-CG 4.14Å
89N98Very high95.8Very high0 Ų017.9 Ų17.90%011%0.108CC..EExtended strand (participates in β ladder)trans-71.9149.2175.5-65.6-59.8000110.4D65 L66 V67 M115 F317 R324D65-N89 PolarHBondContact O-N 3.41Å; L66-N89 HydrophobicContact CD1-CB 3.73Å; V67-N89 PolarHBondContact N-O 3.15Å; N89-M115 HydrophobicContact CB-CB 4.07Å; N89-M115 HydrophobicContact CB-CE 4.28Å; N89-M115 WeakPolarHBondContact OD1-CB 3.31Å; N89-M115 PolarHBondContact OD1-N 3.02Å; N89-F317 HydrophobicContact CB-CZ 4.11Å; N89-R324 PolarHBondContact ND2-O 3.17Å
90V98.2Very high95.7Very high0 Ų018.2 Ų18.20%011%0.109CC..EExtended strand (participates in β ladder)trans-136.2133.7-176.468.70000113V67 I69 A80 T83 L84 C92 M115 I117 F337V67-V90 WeakPolarHBondContact O-CA 3.4Å; I69-V90 HydrophobicContact CD1-CG2 3.58Å; I69-V90 HydrophobicContact CG1-CG2 4.18Å; A80-V90 HydrophobicContact CB-CG2 4.48Å; T83-V90 HydrophobicContact CG2-CB 3.92Å; T83-V90 HydrophobicContact CG2-CG2 4.27Å; L84-V90 HydrophobicContact CD1-CG1 4.34Å; L84-V90 HydrophobicContact CD2-CG1 3.87Å; L84-V90 HydrophobicContact CG-CG1 4.01Å; V90-C92 HydrophobicContact CG2-CB 4.33Å; V90-M115 PolarHBondContact N-O 3.01Å; V90-I117 PolarHBondContact O-N 2.8Å; V90-I117 VanDerWaalsContact O-N 3.12Å; V90-F337 HydrophobicContact CG1-CE2 4.2Å; V90-F337 HydrophobicContact CG1-CZ 3.65Å
91I97.9Very high95.7Very high11 Ų1118.2 Ų18.26%0.05611%0.109CC..EExtended strand (participates in β ladder)trans-113.1125.9162.7-58.5172.4000106.7L66 V67 C68 I69 M115 I117 M309 M310 V313L66-I91 HydrophobicContact CD1-CD1 4.29Å; L66-I91 HydrophobicContact CD1-CG1 4.11Å; L66-I91 HydrophobicContact CD2-CD1 4.25Å; V67-I91 PolarHBondContact O-N 3.27Å; C68-I91 WeakPolarHBondContact CA-O 3.49Å; I69-I91 PolarHBondContact N-O 3.47Å; I91-M115 HydrophobicContact CD1-CE 4.09Å; I91-M115 HydrophobicContact CG1-CE 3.72Å; I91-I117 WeakPolarHBondContact CA-O 3.24Å; I91-I117 HydrophobicContact CB-CG1 4.35Å; I91-I117 HydrophobicContact CD1-CD1 4.36Å; I91-I117 HydrophobicContact CG1-CD1 3.97Å; I91-I117 HydrophobicContact CG1-CG1 3.77Å; I91-I117 HydrophobicContact CG2-CG1 4.33Å; I91-M309 HydrophobicContact CG2-CE 4.22Å; I91-M310 HydrophobicContact CD1-CE 4.17Å; I91-V313 HydrophobicContact CD1-CB 4.47Å; I91-V313 HydrophobicContact CD1-CG1 3.95Å; I91-V313 HydrophobicContact CD1-CG2 3.76Å
92C96Very high95.7Very high1 Ų117.2 Ų17.21%0.00710%0.102CC..EExtended strand (participates in β ladder)trans-131.2136-167.3-1600000111.6T76 V90 M104 I117 M118 G119 F337T76-C92 WeakPolarHBondContact CG2-SG 3.49Å; V90-C92 HydrophobicContact CG2-CB 4.33Å; C92-M104 HydrophobicContact CB-CE 4.22Å; C92-M104 WeakPolarHBondContact SG-CE 3.28Å; C92-I117 PolarHBondContact N-O 3.37Å; C92-M118 HydrophobicContact CB-SD 4.22Å; C92-M118 CarbonylContact O-C 3.6Å; C92-M118 WeakPolarHBondContact O-CA 3.46Å; C92-M118 WeakPolarHBondContact O-CE 3.37Å; C92-G119 PolarHBondContact O-N 3.19Å; C92-F337 HydrophobicContact CB-CE1 3.64Å; C92-F337 HydrophobicContact CB-CZ 3.89Å
93D90.1Very high95.6Very high35 Ų3515.8 Ų15.819%0.1879%0.094CC..  trans-74.9172.9163-150.1-26.3000110.4I69 T76 M118I69-D93 PolarHBondContact O-N 3.48Å; T76-D93 VanDerWaalsContact CG2-O 3.29Å; T76-D93 WeakPolarHBondContact CG2-O 3.43Å; D93-M118 WeakPolarHBondContact O-CE 3.47Å
94R90.7Very high95.5Very high26 Ų2615.9 Ų15.910%0.09810%0.095CC..  trans-58.9157.4177.966.4-168.7154.6-141.1-7.3113.2M118 H174 S175 T178 Y179R94-M118 HydrophobicContact CB-CE 4.39Å; R94-H174 PolarHBondContact NH1-O 3.1Å; R94-S175 PolarHBondContact NH1-O 3.33Å; R94-S175 VanDerWaalsContact NH2-CA 3.28Å; R94-S175 PolarHBondContact NH2-O 3.36Å; R94-T178 PolarHBondContact NH1-OG1 3.45Å; R94-Y179 VanDerWaalsContact NH1-CD2 3.27Å
95T94Very high95.5Very high0 Ų016.1 Ų16.10%010%0.096CC..  trans-107.6169.2173.1-167.60000112.3P73 D100 A101 M104 H174 L344P73-T95 WeakPolarHBondContact O-CA 3.33Å; P73-T95 PolarHBondContact O-OG1 3.13Å; T95-D100 HydrophobicContact CG2-CB 3.61Å; T95-D100 WeakPolarHBondContact OG1-CB 3.17Å; T95-A101 HydrophobicContact CG2-CB 3.76Å; T95-A101 VanDerWaalsContact CG2-N 3.34Å; T95-M104 HydrophobicContact CG2-SD 3.94Å; T95-H174 PolarHBondContact O-CE1 2.98Å; T95-H174 PolarHBondContact O-NE2 2.99Å; T95-H174 VanDerWaalsContact O-NE2 3.15Å; T95-L344 HydrophobicContact CG2-CD1 3.77Å; T95-L344 WeakPolarHBondContact O-CD1 3.45Å
96A91.4Very high95.5Very high7 Ų716.7 Ų16.76%0.0589%0.094CC..SBendtrans-69.3-38.3-17100000112.4P73 P74 H174P73-A96 HydrophobicContact CB-CB 4.08Å; P73-A96 PolarHBondContact O-N 2.88Å; P74-A96 HydrophobicContact CB-CB 4.42Å; P74-A96 HydrophobicContact CG-CB 4.03Å; A96-H174 PolarHBondContact O-NE2 2.9Å; A96-H174 VanDerWaalsContact O-NE2 3.1Å
97T94.5Very high95.6Very high22 Ų2214.2 Ų14.214%0.1358%0.083CC..SBendtrans-137156.8-169.664.20000114.5L99 D100 A101 R382T97-L99 VanDerWaalsContact C-N 3.25Å; T97-L99 PolarHBondContact O-N 2.89Å; T97-D100 WeakPolarHBondContact O-CB 3.26Å; T97-D100 PolarHBondContact O-N 2.89Å; T97-D100 VanDerWaalsContact OG1-CG 3.3Å; T97-D100 PolarHBondContact OG1-N 3.08Å; T97-D100 PolarHBondContact OG1-OD2 3.34Å; T97-A101 PolarHBondContact O-N 2.97Å; T97-R382 VanDerWaalsContact CG2-CZ 3.49Å; T97-R382 PolarHBondContact OG1-NH1 2.91Å; T97-R382 VanDerWaalsContact OG1-NH1 3.17Å
98P95.2Very high95.6Very high14 Ų1413.5 Ų13.59%0.0918%0.075CC..Hα-helixtrans-52.8-40.2173.8-28.835.5000113.6D100 A101 F102 L341 L344 D348 M365P98-D100 VanDerWaalsContact C-N 3.33Å; P98-D100 PolarHBondContact O-N 3.29Å; P98-A101 PolarHBondContact O-N 2.89Å; P98-F102 WeakPolarHBondContact O-CB 3.47Å; P98-F102 PolarHBondContact O-N 3.19Å; P98-L341 HydrophobicContact CB-CD1 4.4Å; P98-L341 WeakPolarHBondContact O-CD1 3.47Å; P98-L344 HydrophobicContact CB-CB 4.49Å; P98-L344 HydrophobicContact CG-CB 4.01Å; P98-D348 HydrophobicContact CG-CB 4.03Å; P98-M365 HydrophobicContact CB-CE 3.62Å
99L94.5Very high95.6Very high6 Ų618.2 Ų18.23%0.03110%0.097CC..Hα-helixtrans-67.1-36.8177.6177.350000112T97 A101 F102 R103 M365 E368 P369 Y375T97-L99 VanDerWaalsContact C-N 3.25Å; T97-L99 PolarHBondContact O-N 2.89Å; L99-A101 VanDerWaalsContact C-N 3.27Å; L99-A101 PolarHBondContact O-N 3.47Å; L99-F102 HydrophobicContact CD1-CB 4.41Å; L99-F102 HydrophobicContact CD1-CD1 4.2Å; L99-F102 PolarHBondContact O-N 2.86Å; L99-R103 HydrophobicContact CD1-CG 4.2Å; L99-R103 WeakPolarHBondContact O-CG 3.41Å; L99-R103 PolarHBondContact O-N 3Å; L99-M365 HydrophobicContact CB-CE 4.09Å; L99-M365 HydrophobicContact CB-SD 4.14Å; L99-M365 HydrophobicContact CD1-SD 3.94Å; L99-E368 HydrophobicContact CD1-CG 4Å; L99-P369 HydrophobicContact CD1-CG 4.49Å; L99-P369 HydrophobicContact CD2-CG 3.95Å; L99-Y375 HydrophobicContact CB-CE2 4.26Å; L99-Y375 HydrophobicContact CD2-CD1 4.26Å; L99-Y375 HydrophobicContact CD2-CD2 4.09Å; L99-Y375 HydrophobicContact CD2-CE1 3.59Å; L99-Y375 HydrophobicContact CD2-CE2 3.39Å; L99-Y375 HydrophobicContact CD2-CG 4.48Å; L99-Y375 WeakPolarHBondContact CD2-OH 3.41Å; L99-Y375 HydrophobicContact CG-CE2 4.28Å; L99-Y375 WeakPolarHBondContact CG-OH 3.47Å
100D94.7Very high95.6Very high8 Ų826.6 Ų26.64%0.04313%0.13CC..Hα-helixtrans-63.3-40.3175.3-69.6-48.2000111.2R77 T95 T97 P98 R103 M104 R382R77-D100 HydrophobicContact CB-CB 4Å; R77-D100 WeakPolarHBondContact CD-OD1 3.34Å; R77-D100 HydrophobicContact CG-CB 4.33Å; R77-D100 WeakPolarHBondContact CG-O 3.27Å; R77-D100 IonicContact NE-OD1 2.82Å; R77-D100 PolarHBondContact NE-OD1 3.05Å; R77-D100 VanDerWaalsContact NE-OD1 3.16Å; T95-D100 HydrophobicContact CG2-CB 3.61Å; T95-D100 WeakPolarHBondContact OG1-CB 3.17Å; T97-D100 WeakPolarHBondContact O-CB 3.26Å; T97-D100 PolarHBondContact O-N 2.89Å; T97-D100 VanDerWaalsContact OG1-CG 3.3Å; T97-D100 PolarHBondContact OG1-N 3.08Å; T97-D100 PolarHBondContact OG1-OD2 3.34Å; P98-D100 VanDerWaalsContact C-N 3.33Å; P98-D100 PolarHBondContact O-N 3.29Å; D100-R103 PolarHBondContact O-N 3.37Å; D100-M104 WeakPolarHBondContact O-CG 3.26Å; D100-M104 PolarHBondContact O-N 2.94Å; D100-M104 VanDerWaalsContact O-N 3.14Å; D100-R382 IonicContact OD2-NH1 2.86Å; D100-R382 PolarHBondContact OD2-NH1 3.16Å
101A96.5Very high95.5Very high0 Ų030.5 Ų30.50%015%0.145CC..Hα-helixtrans-68.1-40.1175.900000111.7T95 T97 P98 L99 R103 M104 T105 L341 L344T95-A101 HydrophobicContact CG2-CB 3.76Å; T95-A101 VanDerWaalsContact CG2-N 3.34Å; T97-A101 PolarHBondContact O-N 2.97Å; P98-A101 PolarHBondContact O-N 2.89Å; L99-A101 VanDerWaalsContact C-N 3.27Å; L99-A101 PolarHBondContact O-N 3.47Å; A101-R103 VanDerWaalsContact C-N 3.3Å; A101-R103 PolarHBondContact O-N 3.5Å; A101-M104 CarbonylContact O-C 3.56Å; A101-M104 WeakPolarHBondContact O-CA 3.1Å; A101-M104 WeakPolarHBondContact O-CB 3.32Å; A101-M104 PolarHBondContact O-N 2.84Å; A101-T105 PolarHBondContact O-N 3.32Å; A101-T105 PolarHBondContact O-OG1 3.2Å; A101-L341 HydrophobicContact CB-CB 3.98Å; A101-L341 HydrophobicContact CB-CD1 4.17Å; A101-L344 HydrophobicContact CB-CD1 3.86Å
102F96.7Very high95.4Very high24 Ų2435 Ų3511%0.10518%0.175CC..Hα-helixtrans-56.9-44.3175.7176.4-91.7000111.9P98 L99 M104 T105 S106 L341 M365 T366 E368P98-F102 WeakPolarHBondContact O-CB 3.47Å; P98-F102 PolarHBondContact O-N 3.19Å; L99-F102 HydrophobicContact CD1-CB 4.41Å; L99-F102 HydrophobicContact CD1-CD1 4.2Å; L99-F102 PolarHBondContact O-N 2.86Å; F102-M104 VanDerWaalsContact C-N 3.33Å; F102-M104 PolarHBondContact O-N 3.36Å; F102-T105 PolarHBondContact O-N 3.09Å; F102-S106 WeakPolarHBondContact CE1-OG 3.23Å; F102-S106 WeakPolarHBondContact O-CB 3.42Å; F102-S106 PolarHBondContact O-N 2.91Å; F102-S106 PolarHBondContact O-OG 3.34Å; F102-L341 HydrophobicContact CB-CD1 4.01Å; F102-L341 HydrophobicContact CB-CD2 4.38Å; F102-L341 HydrophobicContact CD2-CD2 4.13Å; F102-M365 HydrophobicContact CB-CG 4.34Å; F102-M365 HydrophobicContact CB-SD 3.66Å; F102-M365 HydrophobicContact CD1-SD 4.44Å; F102-M365 HydrophobicContact CD2-CB 4.2Å; F102-M365 HydrophobicContact CD2-CG 3.92Å; F102-M365 HydrophobicContact CD2-SD 4.27Å; F102-M365 HydrophobicContact CG-CG 4.13Å; F102-M365 HydrophobicContact CG-SD 3.85Å; F102-T366 VanDerWaalsContact CE2-C 3.43Å; F102-T366 WeakPolarHBondContact CE2-O 3.4Å; F102-E368 HydrophobicContact CD1-CB 4.25Å; F102-E368 HydrophobicContact CE1-CB 3.77Å
103R96Very high95.4Very high41 Ų4143.9 Ų43.916%0.15521%0.214CC..Hα-helixtrans-65.5-36.2175.9-72.6171.8171.2171.2-4.4112.2R77 L99 D100 A101 A107 E368 E379R77-R103 HydrophobicContact CG-CB 4.27Å; L99-R103 HydrophobicContact CD1-CG 4.2Å; L99-R103 WeakPolarHBondContact O-CG 3.41Å; L99-R103 PolarHBondContact O-N 3Å; D100-R103 PolarHBondContact O-N 3.37Å; A101-R103 VanDerWaalsContact C-N 3.3Å; A101-R103 PolarHBondContact O-N 3.5Å; R103-A107 PolarHBondContact O-N 3.04Å; R103-E368 IonicContact CZ-OE1 3.51Å; R103-E368 IonicContact NE-OE1 3.55Å; R103-E368 PolarHBondContact NE-OE1 2.99Å; R103-E368 IonicContact NH2-OE1 3.75Å; R103-E368 PolarHBondContact NH2-OE1 3.17Å; R103-E379 IonicContact NH1-OE2 3.76Å
104M97.2Very high95.7Very high1 Ų143.4 Ų43.41%0.00521%0.211CC..Hα-helixtrans-64.5-51.5172.8-69.9169.855.600110.6R77 A80 V81 C92 T95 D100 A101 F102 S106 A107 A108 M118 F337R77-M104 HydrophobicContact CB-CG 4.11Å; R77-M104 HydrophobicContact CB-SD 4.12Å; R77-M104 HydrophobicContact CG-CG 3.96Å; A80-M104 HydrophobicContact CB-CE 3.97Å; A80-M104 HydrophobicContact CB-CG 4.15Å; A80-M104 HydrophobicContact CB-SD 4.39Å; V81-M104 HydrophobicContact CG2-CG 4.33Å; C92-M104 HydrophobicContact CB-CE 4.22Å; C92-M104 WeakPolarHBondContact SG-CE 3.28Å; T95-M104 HydrophobicContact CG2-SD 3.94Å; D100-M104 WeakPolarHBondContact O-CG 3.26Å; D100-M104 PolarHBondContact O-N 2.94Å; D100-M104 VanDerWaalsContact O-N 3.14Å; A101-M104 CarbonylContact O-C 3.56Å; A101-M104 WeakPolarHBondContact O-CA 3.1Å; A101-M104 WeakPolarHBondContact O-CB 3.32Å; A101-M104 PolarHBondContact O-N 2.84Å; F102-M104 VanDerWaalsContact C-N 3.33Å; F102-M104 PolarHBondContact O-N 3.36Å; M104-S106 VanDerWaalsContact C-N 3.32Å; M104-S106 PolarHBondContact O-N 3.47Å; M104-A107 WeakPolarHBondContact O-CB 3.43Å; M104-A107 PolarHBondContact O-N 3.23Å; M104-A107 VanDerWaalsContact O-N 3.08Å; M104-A108 PolarHBondContact O-N 3.4Å; M104-M118 HydrophobicContact CE-SD 4.2Å; M104-F337 VanDerWaalsContact C-CD2 3.49Å; M104-F337 HydrophobicContact CB-CB 4.49Å; M104-F337 HydrophobicContact CB-CD2 3.58Å; M104-F337 HydrophobicContact CB-CE2 3.87Å; M104-F337 HydrophobicContact CB-CG 4.13Å; M104-F337 HydrophobicContact CE-CD1 3.99Å; M104-F337 HydrophobicContact CE-CD2 4.21Å; M104-F337 HydrophobicContact CE-CE1 3.7Å; M104-F337 HydrophobicContact CE-CE2 3.9Å; M104-F337 HydrophobicContact CE-CG 4.22Å; M104-F337 HydrophobicContact CE-CZ 3.62Å; M104-F337 WeakPolarHBondContact O-CD2 3.44Å
105T97.4Very high96Very high6 Ų642.2 Ų42.24%0.03721%0.206CC..Hα-helixtrans-54.6-46.8177-58.20000111.7A101 F102 A107 A108 H109 F337 D338A101-T105 PolarHBondContact O-N 3.32Å; A101-T105 PolarHBondContact O-OG1 3.2Å; F102-T105 PolarHBondContact O-N 3.09Å; T105-A107 VanDerWaalsContact C-N 3.29Å; T105-A107 PolarHBondContact O-N 3.31Å; T105-A108 WeakPolarHBondContact O-CB 3.18Å; T105-A108 PolarHBondContact O-N 2.89Å; T105-A108 VanDerWaalsContact O-N 3.09Å; T105-H109 WeakPolarHBondContact CG2-CE1 3.33Å; T105-H109 PolarHBondContact O-N 2.75Å; T105-F337 PolarHBondContact OG1-O 3.49Å; T105-F337 VanDerWaalsContact OG1-O 3.04Å; T105-D338 VanDerWaalsContact CG2-OD1 3.23Å; T105-D338 WeakPolarHBondContact CG2-OD1 3.47Å
106S97.1Very high96.2Very high51 Ų5143.2 Ų43.236%0.35721%0.213SC..Hα-helixtrans-58.1-41.5177.1-60.80000112F102 M104 Y110F102-S106 WeakPolarHBondContact CE1-OG 3.23Å; F102-S106 WeakPolarHBondContact O-CB 3.42Å; F102-S106 PolarHBondContact O-N 2.91Å; F102-S106 PolarHBondContact O-OG 3.34Å; M104-S106 VanDerWaalsContact C-N 3.32Å; M104-S106 PolarHBondContact O-N 3.47Å; S106-Y110 PolarHBondContact O-N 3.06Å; S106-Y110 VanDerWaalsContact O-N 3.12Å
107A97Very high96.5Very high13 Ų1343.2 Ų43.211%0.10721%0.212CC..Hα-helixtrans-67.1-42.1175.300000111.9V81 L84 R103 M104 T105 H109 Y110 Y111V81-A107 HydrophobicContact CB-CB 4.39Å; V81-A107 HydrophobicContact CG1-CB 4.13Å; V81-A107 HydrophobicContact CG2-CB 4.09Å; L84-A107 HydrophobicContact CD1-CB 3.97Å; R103-A107 PolarHBondContact O-N 3.04Å; M104-A107 WeakPolarHBondContact O-CB 3.43Å; M104-A107 PolarHBondContact O-N 3.23Å; M104-A107 VanDerWaalsContact O-N 3.08Å; T105-A107 VanDerWaalsContact C-N 3.29Å; T105-A107 PolarHBondContact O-N 3.31Å; A107-H109 PolarHBondContact O-N 2.81Å; A107-Y110 PolarHBondContact O-N 3.38Å; A107-Y111 VanDerWaalsContact O-CD2 3.23Å; A107-Y111 WeakPolarHBondContact O-CD2 3.4Å; A107-Y111 PolarHBondContact O-N 2.65Å; A107-Y111 VanDerWaalsContact O-N 3.15Å
108A97.6Very high96.6Very high7 Ų742.1 Ų42.16%0.05821%0.206CC..Hα-helixtrans-61.3-44.117700000112L84 M104 T105 Y110 Y111 S116 F337L84-A108 HydrophobicContact CD1-CB 4.16Å; M104-A108 PolarHBondContact O-N 3.4Å; T105-A108 WeakPolarHBondContact O-CB 3.18Å; T105-A108 PolarHBondContact O-N 2.89Å; T105-A108 VanDerWaalsContact O-N 3.09Å; A108-Y110 VanDerWaalsContact C-N 3.27Å; A108-Y110 PolarHBondContact O-N 3.32Å; A108-Y111 CarbonylContact O-C 3.55Å; A108-Y111 PolarHBondContact O-N 2.74Å; A108-Y111 VanDerWaalsContact O-N 3.09Å; A108-S116 WeakPolarHBondContact CB-OG 3.48Å; A108-F337 HydrophobicContact CB-CD2 3.77Å; A108-F337 HydrophobicContact CB-CE2 4.47Å; A108-F337 HydrophobicContact CB-CG 4.43Å
109H97.3Very high96.6Very high110 Ų11042 Ų4251%0.50921%0.206SC..Hα-helixtrans-64.7-31.3176.5-67.5173.8000112.9T105 A107 Y111 D338T105-H109 WeakPolarHBondContact CG2-CE1 3.33Å; T105-H109 PolarHBondContact O-N 2.75Å; A107-H109 PolarHBondContact O-N 2.81Å; H109-Y111 VanDerWaalsContact C-N 3.31Å; H109-D338 IonicContact CD2-OD2 3.06Å; H109-D338 IonicContact CE1-OD1 3.19Å; H109-D338 PolarHBondContact CE1-OD1 3.35Å; H109-D338 IonicContact CE1-OD2 3.71Å; H109-D338 IonicContact NE2-OD1 3.72Å; H109-D338 PolarHBondContact NE2-OD1 2.99Å; H109-D338 VanDerWaalsContact NE2-OD1 3.15Å; H109-D338 IonicContact NE2-OD2 2.71Å; H109-D338 PolarHBondContact NE2-OD2 3.29Å
110Y97.6Very high96.6Very high176 Ų17642 Ų4269%0.6921%0.207SC*.Hα-helixtrans-71.6-26.4174.5-162.5-90.8000112.6S106 A107 A108 P112S106-Y110 PolarHBondContact O-N 3.06Å; S106-Y110 VanDerWaalsContact O-N 3.12Å; A107-Y110 PolarHBondContact O-N 3.38Å; A108-Y110 VanDerWaalsContact C-N 3.27Å; A108-Y110 PolarHBondContact O-N 3.32Å; Y110-P112 VanDerWaalsContact C-CD 3.42Å; Y110-P112 WeakPolarHBondContact O-CD 3.43Å
111Y96.9Very high96.6Very high82 Ų8241.9 Ų41.932%0.32221%0.206SC..  trans-12260.9-179.9-58.9-73.9000112.9L84 A107 A108 H109 K113 L114L84-Y111 HydrophobicContact CB-CD2 3.93Å; A107-Y111 VanDerWaalsContact O-CD2 3.23Å; A107-Y111 WeakPolarHBondContact O-CD2 3.4Å; A107-Y111 PolarHBondContact O-N 2.65Å; A107-Y111 VanDerWaalsContact O-N 3.15Å; A108-Y111 CarbonylContact O-C 3.55Å; A108-Y111 PolarHBondContact O-N 2.74Å; A108-Y111 VanDerWaalsContact O-N 3.09Å; H109-Y111 VanDerWaalsContact C-N 3.31Å; Y111-K113 PolarHBondContact O-N 3.21Å; Y111-L114 HydrophobicContact CG-CD1 4.18Å; Y111-L114 PolarHBondContact O-N 2.94Å
112P95.8Very high96.7Very high104 Ų10442 Ų4268%0.67521%0.207SC*.THydrogen-bonded Turntrans-69.1-11.2-168.230-37.6000114.6Y110Y110-P112 VanDerWaalsContact C-CD 3.42Å; Y110-P112 WeakPolarHBondContact O-CD 3.43Å
113K95.2Very high96.7Very high189 Ų18941.5 Ų41.582%0.82220%0.204SC*.THydrogen-bonded Turntrans-81.5-19.3174.9-64.9-172.8179.5-176.80112.7Y111 W326Y111-K113 PolarHBondContact O-N 3.21Å; K113-W326 PolarHBondContact O-NE1 3.22Å
114L96.9Very high96.7Very high25 Ų2540.1 Ų40.113%0.13120%0.199CC..SBendtrans-85.5140.3177.9-59.7174.6000109.5L84 Y111 S116L84-L114 HydrophobicContact CB-CD1 4.48Å; L84-L114 HydrophobicContact CD2-CB 3.86Å; L84-L114 HydrophobicContact CD2-CD1 3.86Å; L84-L114 WeakPolarHBondContact O-CD1 2.92Å; Y111-L114 HydrophobicContact CG-CD1 4.18Å; Y111-L114 PolarHBondContact O-N 2.94Å; L114-S116 PolarHBondContact O-N 3.44Å
115M97.6Very high96.7Very high0 Ų040.1 Ų40.10%020%0.199CC..  trans-66.6124.5169.2-172.7-175.269.500109.2L66 N89 V90 I91 I117 V313 F317 W326 L331L66-M115 HydrophobicContact CD1-CE 3.38Å; N89-M115 HydrophobicContact CB-CB 4.07Å; N89-M115 HydrophobicContact CB-CE 4.28Å; N89-M115 WeakPolarHBondContact OD1-CB 3.31Å; N89-M115 PolarHBondContact OD1-N 3.02Å; V90-M115 PolarHBondContact N-O 3.01Å; I91-M115 HydrophobicContact CD1-CE 4.09Å; I91-M115 HydrophobicContact CG1-CE 3.72Å; M115-I117 HydrophobicContact CE-CD1 4.5Å; M115-I117 HydrophobicContact CE-CG1 4.47Å; M115-I117 HydrophobicContact CG-CG1 4.41Å; M115-I117 HydrophobicContact CG-CG2 3.99Å; M115-I117 HydrophobicContact SD-CD1 4.18Å; M115-I117 HydrophobicContact SD-CG1 4.41Å; M115-V313 HydrophobicContact CE-CG1 4.49Å; M115-F317 HydrophobicContact CE-CE2 3.79Å; M115-F317 HydrophobicContact CE-CZ 4.06Å; M115-F317 HydrophobicContact SD-CE2 3.98Å; M115-F317 HydrophobicContact SD-CZ 4.3Å; M115-W326 HydrophobicContact CB-CD2 3.79Å; M115-W326 HydrophobicContact CB-CE3 4.25Å; M115-W326 HydrophobicContact CB-CG 4.19Å; M115-W326 HydrophobicContact CB-CH2 4.28Å; M115-W326 HydrophobicContact CB-CZ2 3.83Å; M115-W326 HydrophobicContact CB-CZ3 4.45Å; M115-W326 HydrophobicContact CG-CD2 4.18Å; M115-W326 HydrophobicContact CG-CE3 4.12Å; M115-W326 HydrophobicContact CG-CH2 4.12Å; M115-W326 HydrophobicContact CG-CZ2 4.19Å; M115-W326 HydrophobicContact CG-CZ3 4.06Å; M115-W326 HydrophobicContact SD-CE3 4.32Å; M115-L331 HydrophobicContact CG-CD1 4.32Å; M115-L331 HydrophobicContact SD-CD1 3.42Å; M115-L331 WeakPolarHBondContact SD-CD1 3.45Å
116S97.4Very high96.6Very high21 Ų2141.7 Ų41.715%0.14721%0.209CC..EExtended strand (participates in β ladder)trans-134.688174.859.40000109.8A108 L114A108-S116 WeakPolarHBondContact CB-OG 3.48Å; L114-S116 PolarHBondContact O-N 3.44Å
117I97.6Very high96.6Very high7 Ų739.2 Ų39.24%0.03619%0.192CC..EExtended strand (participates in β ladder)trans-115.6152.1-176.665.1170.8000111.7V90 I91 C92 M115 V313 L331 A334 A335V90-I117 PolarHBondContact O-N 2.8Å; V90-I117 VanDerWaalsContact O-N 3.12Å; I91-I117 WeakPolarHBondContact CA-O 3.24Å; I91-I117 HydrophobicContact CB-CG1 4.35Å; I91-I117 HydrophobicContact CD1-CD1 4.36Å; I91-I117 HydrophobicContact CG1-CD1 3.97Å; I91-I117 HydrophobicContact CG1-CG1 3.77Å; I91-I117 HydrophobicContact CG2-CG1 4.33Å; C92-I117 PolarHBondContact N-O 3.37Å; M115-I117 HydrophobicContact CE-CD1 4.5Å; M115-I117 HydrophobicContact CE-CG1 4.47Å; M115-I117 HydrophobicContact CG-CG1 4.41Å; M115-I117 HydrophobicContact CG-CG2 3.99Å; M115-I117 HydrophobicContact SD-CD1 4.18Å; M115-I117 HydrophobicContact SD-CG1 4.41Å; I117-V313 HydrophobicContact CD1-CG2 3.96Å; I117-L331 HydrophobicContact CD1-CD1 4.32Å; I117-L331 HydrophobicContact CD1-CD2 4.21Å; I117-A334 HydrophobicContact CB-CB 4.17Å; I117-A334 HydrophobicContact CD1-CB 4.42Å; I117-A334 HydrophobicContact CG2-CB 3.81Å; I117-A335 CarbonylContact C-O 3.52Å; I117-A335 WeakPolarHBondContact CA-O 3.45Å
118M97.3Very high96.7Very high0 Ų038.7 Ų38.70%019%0.188CC..EExtended strand (participates in β ladder)trans-91.6149.5173.9-61.6-62.3-55.600111C92 D93 R94 M104 N120 A335 T336 F337 C340C92-M118 HydrophobicContact CB-SD 4.22Å; C92-M118 CarbonylContact O-C 3.6Å; C92-M118 WeakPolarHBondContact O-CA 3.46Å; C92-M118 WeakPolarHBondContact O-CE 3.37Å; D93-M118 WeakPolarHBondContact O-CE 3.47Å; R94-M118 HydrophobicContact CB-CE 4.39Å; M104-M118 HydrophobicContact CE-SD 4.2Å; M118-N120 WeakPolarHBondContact CB-OD1 3.35Å; M118-N120 PolarHBondContact O-N 3.29Å; M118-A335 HydrophobicContact CB-CB 4.05Å; M118-A335 PolarHBondContact N-O 3.45Å; M118-T336 WeakPolarHBondContact CG-O 3.37Å; M118-F337 HydrophobicContact CG-CD1 3.93Å; M118-F337 HydrophobicContact CG-CE1 4.44Å; M118-F337 HydrophobicContact SD-CD1 3.27Å; M118-F337 WeakPolarHBondContact SD-CD1 3.28Å; M118-F337 HydrophobicContact SD-CE1 3.49Å; M118-F337 WeakPolarHBondContact SD-CE1 3.5Å; M118-F337 HydrophobicContact SD-CG 4.39Å; M118-C340 HydrophobicContact CE-CB 3.74Å; M118-C340 HydrophobicContact CG-CB 3.85Å; M118-C340 HydrophobicContact SD-CB 3.77Å
119G94Very high96.6Very high10 Ų1040 Ų4010%0.10320%0.195CC..  trans-70.632.7173.800000114.4C92 V121 Y179C92-G119 PolarHBondContact O-N 3.19Å; G119-V121 WeakPolarHBondContact O-CG1 3.36Å; G119-V121 PolarHBondContact O-N 2.77Å; G119-Y179 WeakPolarHBondContact O-CE1 3.37Å; G119-Y179 PolarHBondContact O-OH 2.99Å; G119-Y179 VanDerWaalsContact O-OH 3.06Å
120N94.9Very high96.7Very high7 Ų738.5 Ų38.54%0.03719%0.185CC..  trans-78.469.7179.6-71.344000111.2M118 L122 R123 Y179 D182 A335M118-N120 WeakPolarHBondContact CB-OD1 3.35Å; M118-N120 PolarHBondContact O-N 3.29Å; N120-L122 PolarHBondContact O-N 3Å; N120-L122 VanDerWaalsContact O-N 3.1Å; N120-R123 PolarHBondContact O-N 3.37Å; N120-Y179 HydrophobicContact CB-CD1 4.42Å; N120-Y179 HydrophobicContact CB-CE1 4.41Å; N120-D182 WeakPolarHBondContact CB-OD2 3.42Å; N120-D182 VanDerWaalsContact ND2-CB 3.26Å; N120-D182 WeakPolarHBondContact ND2-CB 3.44Å; N120-D182 PolarHBondContact ND2-OD2 3.26Å; N120-A335 HydrophobicContact CB-CB 3.57Å
121V95.7Very high96.7Very high5 Ų530.1 Ų30.13%0.0315%0.152CC..G310 helixtrans-62.1-20.7-168-68.60000115.4G119 R123 F124 Y179 Y302 G305 M309G119-V121 WeakPolarHBondContact O-CG1 3.36Å; G119-V121 PolarHBondContact O-N 2.77Å; V121-R123 PolarHBondContact O-N 3.15Å; V121-F124 PolarHBondContact O-N 2.94Å; V121-F124 VanDerWaalsContact O-N 3.09Å; V121-Y179 HydrophobicContact CG2-CE1 4.09Å; V121-Y302 HydrophobicContact CG2-CD1 4.15Å; V121-Y302 WeakPolarHBondContact CG2-O 3.45Å; V121-G305 WeakPolarHBondContact O-CA 3.35Å; V121-M309 HydrophobicContact CG1-CB 4.43Å; V121-M309 HydrophobicContact CG1-CE 3.74Å; V121-M309 HydrophobicContact CG1-SD 3.9Å
122L97.2Very high96.8Very high2 Ų228.4 Ų28.41%0.0115%0.146CC..G310 helixtrans-62.3-29.7-179.4-61.9-175.3000112.4N120 F124 L125 F128 Y179 I180 L183 P301 Y302N120-L122 PolarHBondContact O-N 3Å; N120-L122 VanDerWaalsContact O-N 3.1Å; L122-F124 PolarHBondContact O-N 3.09Å; L122-F124 VanDerWaalsContact O-N 3.15Å; L122-L125 HydrophobicContact CD2-CD1 3.73Å; L122-L125 PolarHBondContact O-N 2.78Å; L122-L125 VanDerWaalsContact O-N 3.15Å; L122-F128 HydrophobicContact CB-CD2 4.25Å; L122-F128 HydrophobicContact CB-CE2 4.4Å; L122-F128 WeakPolarHBondContact O-CD2 3.49Å; L122-Y179 HydrophobicContact CD1-CD1 4.36Å; L122-Y179 HydrophobicContact CG-CD1 4.17Å; L122-I180 HydrophobicContact CD1-CD1 4.45Å; L122-L183 HydrophobicContact CB-CD1 4.47Å; L122-L183 HydrophobicContact CD1-CD2 4.16Å; L122-P301 HydrophobicContact CD2-CB 4.07Å; L122-Y302 HydrophobicContact CD1-CE1 4.24Å; L122-Y302 HydrophobicContact CD2-CD1 4.26Å; L122-Y302 HydrophobicContact CD2-CD2 4.39Å; L122-Y302 HydrophobicContact CD2-CE1 4.18Å; L122-Y302 HydrophobicContact CD2-CE2 4.28Å; L122-Y302 HydrophobicContact CD2-CG 4.37Å; L122-Y302 HydrophobicContact CG-CE1 4.23Å
123R97.4Very high96.9Very high15 Ų1527.2 Ų27.26%0.05713%0.132CC..G310 helixtrans-63.2-19.8177.1-62-169-178.7-163.6-2.3113.4N120 V121 V129 D182 F186 M333 D339N120-R123 PolarHBondContact O-N 3.37Å; V121-R123 PolarHBondContact O-N 3.15Å; R123-V129 VanDerWaalsContact O-CG2 3.31Å; R123-V129 WeakPolarHBondContact O-CG2 3.27Å; R123-D182 IonicContact CZ-OD1 2.71Å; R123-D182 VanDerWaalsContact CZ-OD1 3.29Å; R123-D182 IonicContact CZ-OD2 3.82Å; R123-D182 IonicContact NE-OD1 3.83Å; R123-D182 PolarHBondContact NE-OD1 3.15Å; R123-D182 IonicContact NE-OD2 2.84Å; R123-D182 PolarHBondContact NE-OD2 3.4Å; R123-D182 IonicContact NH2-OD1 3.69Å; R123-D182 PolarHBondContact NH2-OD1 2.93Å; R123-D182 IonicContact NH2-OD2 3.53Å; R123-F186 HydrophobicContact CB-CD1 4.43Å; R123-F186 HydrophobicContact CB-CE1 4.34Å; R123-F186 HydrophobicContact CB-CZ 4.4Å; R123-F186 HydrophobicContact CG-CB 4.26Å; R123-F186 HydrophobicContact CG-CD1 4.08Å; R123-F186 HydrophobicContact CG-CD2 4.24Å; R123-F186 HydrophobicContact CG-CE1 4.48Å; R123-F186 HydrophobicContact CG-CG 3.93Å; R123-M333 WeakPolarHBondContact CD-O 3.22Å; R123-M333 PolarHBondContact NH1-O 2.85Å; R123-D339 IonicContact CZ-OD1 3.86Å; R123-D339 IonicContact NH1-OD1 2.75Å; R123-D339 VanDerWaalsContact NH2-CG 3.27Å; R123-D339 IonicContact NH2-OD1 3Å; R123-D339 PolarHBondContact NH2-OD1 2.88Å; R123-D339 IonicContact NH2-OD2 3.88Å
124F96.4Very high97.1Very high12 Ų1218.6 Ų18.65%0.0539%0.094CC..G310 helixtrans-94.4-5.4-179.9-65.3-90.1000113.7V121 L122 K308 M309 A312 L331 M333 A334V121-F124 PolarHBondContact O-N 2.94Å; V121-F124 VanDerWaalsContact O-N 3.09Å; L122-F124 PolarHBondContact O-N 3.09Å; L122-F124 VanDerWaalsContact O-N 3.15Å; F124-K308 HydrophobicContact CB-CB 3.76Å; F124-K308 WeakPolarHBondContact O-CB 3.09Å; F124-M309 HydrophobicContact CB-CB 4.5Å; F124-M309 HydrophobicContact CD1-CB 4.29Å; F124-M309 HydrophobicContact CD2-CB 3.73Å; F124-M309 HydrophobicContact CD2-CG 3.92Å; F124-M309 HydrophobicContact CD2-SD 4.33Å; F124-M309 HydrophobicContact CE1-CB 4.46Å; F124-M309 HydrophobicContact CE1-CG 4.35Å; F124-M309 HydrophobicContact CE2-CB 3.92Å; F124-M309 HydrophobicContact CE2-CG 3.55Å; F124-M309 HydrophobicContact CE2-SD 3.89Å; F124-M309 HydrophobicContact CG-CB 3.92Å; F124-M309 HydrophobicContact CG-CG 4.44Å; F124-M309 HydrophobicContact CZ-CB 4.27Å; F124-M309 HydrophobicContact CZ-CG 3.78Å; F124-A312 HydrophobicContact CD1-CB 3.99Å; F124-A312 HydrophobicContact CE1-CB 3.56Å; F124-L331 HydrophobicContact CE1-CD2 4.04Å; F124-L331 HydrophobicContact CZ-CD2 3.96Å; F124-M333 HydrophobicContact CD1-CG 4.16Å; F124-M333 HydrophobicContact CD1-SD 3.96Å; F124-M333 HydrophobicContact CE1-CG 3.92Å; F124-M333 HydrophobicContact CE1-SD 4.26Å; F124-M333 HydrophobicContact CZ-CG 4.27Å; F124-A334 HydrophobicContact CE2-CB 4.3Å; F124-A334 HydrophobicContact CZ-CB 3.78Å
125L95.8Very high97.2Very high1 Ų118.2 Ų18.21%0.0059%0.092CC..SBendtrans-68.8132.2177.3-76.6173.5000110.5L122 A127 F128 V129 P301 R304L122-L125 HydrophobicContact CD2-CD1 3.73Å; L122-L125 PolarHBondContact O-N 2.78Å; L122-L125 VanDerWaalsContact O-N 3.15Å; L125-A127 PolarHBondContact O-N 3.33Å; L125-A127 VanDerWaalsContact O-N 3.13Å; L125-F128 HydrophobicContact CB-CD2 3.95Å; L125-F128 HydrophobicContact CD1-CD2 3.84Å; L125-F128 HydrophobicContact CD1-CE2 3.85Å; L125-F128 PolarHBondContact O-N 3.46Å; L125-V129 WeakPolarHBondContact O-CG2 3.21Å; L125-V129 PolarHBondContact O-N 2.91Å; L125-P301 HydrophobicContact CD1-CB 3.75Å; L125-P301 WeakPolarHBondContact CD1-O 3.43Å; L125-P301 WeakPolarHBondContact CD2-O 3.36Å; L125-R304 HydrophobicContact CD2-CB 3.85Å
126P96Very high97.2Very high38 Ų3824.2 Ų24.225%0.24712%0.12CC..Hα-helixtrans-52.8-38.2179.5-2935.9000113.7R130 V279P126-R130 WeakPolarHBondContact O-CB 3.18Å; P126-R130 PolarHBondContact O-N 2.95Å; P126-V279 HydrophobicContact CB-CG1 4.06Å
127A97.5Very high97.2Very high0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-59.9-45175.600000112.7L125 M131 T263 L265L125-A127 PolarHBondContact O-N 3.33Å; L125-A127 VanDerWaalsContact O-N 3.13Å; A127-M131 WeakPolarHBondContact O-CB 3.45Å; A127-M131 PolarHBondContact O-N 2.84Å; A127-T263 VanDerWaalsContact CB-O 3.31Å; A127-T263 WeakPolarHBondContact CB-O 3.49Å; A127-L265 HydrophobicContact CB-CB 3.93Å
128F98Very high97.2Very high2 Ų230.4 Ų30.41%0.00916%0.156CC..Hα-helixtrans-78.8-32.3-179.3-66.7-51.3000113.1L122 L125 M131 K132 L183 L187 V249 A260L122-F128 HydrophobicContact CB-CD2 4.25Å; L122-F128 HydrophobicContact CB-CE2 4.4Å; L122-F128 WeakPolarHBondContact O-CD2 3.49Å; L125-F128 HydrophobicContact CB-CD2 3.95Å; L125-F128 HydrophobicContact CD1-CD2 3.84Å; L125-F128 HydrophobicContact CD1-CE2 3.85Å; L125-F128 PolarHBondContact O-N 3.46Å; F128-M131 HydrophobicContact CD1-SD 4.22Å; F128-M131 HydrophobicContact CE1-SD 4.49Å; F128-M131 PolarHBondContact O-N 2.79Å; F128-K132 WeakPolarHBondContact O-CB 3.49Å; F128-K132 PolarHBondContact O-N 3.04Å; F128-L183 HydrophobicContact CB-CD1 3.92Å; F128-L183 HydrophobicContact CD1-CD1 3.85Å; F128-L183 HydrophobicContact CD1-CD2 4.04Å; F128-L183 HydrophobicContact CD1-CG 4.42Å; F128-L183 HydrophobicContact CD2-CD1 3.9Å; F128-L183 HydrophobicContact CD2-CD2 4.09Å; F128-L183 HydrophobicContact CE1-CD1 4.38Å; F128-L183 HydrophobicContact CE1-CD2 3.7Å; F128-L183 HydrophobicContact CE2-CD1 4.41Å; F128-L183 HydrophobicContact CE2-CD2 3.75Å; F128-L183 HydrophobicContact CG-CD1 3.61Å; F128-L183 HydrophobicContact CG-CD2 4.25Å; F128-L183 HydrophobicContact CZ-CD2 3.55Å; F128-L187 HydrophobicContact CB-CD2 4.42Å; F128-L187 HydrophobicContact CD1-CD1 4.21Å; F128-L187 HydrophobicContact CD1-CD2 4.39Å; F128-V249 HydrophobicContact CE1-CB 3.85Å; F128-V249 HydrophobicContact CE1-CG1 4.08Å; F128-V249 HydrophobicContact CE1-CG2 3.92Å; F128-V249 HydrophobicContact CZ-CB 4.19Å; F128-V249 HydrophobicContact CZ-CG2 3.8Å; F128-A260 HydrophobicContact CD1-CB 4.35Å; F128-A260 HydrophobicContact CE1-CB 3.56Å; F128-A260 HydrophobicContact CZ-CB 3.96Å
129V97.2Very high97.3Very high35 Ų3530.8 Ų30.821%0.21216%0.158CC..Hα-helixtrans-60-48.8169.7175.20000110R123 L125 K132 Q133 M333R123-V129 VanDerWaalsContact O-CG2 3.31Å; R123-V129 WeakPolarHBondContact O-CG2 3.27Å; L125-V129 WeakPolarHBondContact O-CG2 3.21Å; L125-V129 PolarHBondContact O-N 2.91Å; V129-K132 PolarHBondContact O-N 3.45Å; V129-Q133 WeakPolarHBondContact O-CG 3.4Å; V129-Q133 PolarHBondContact O-N 3Å; V129-M333 HydrophobicContact CG2-SD 3.87Å
130R98Very high97.5Very high78 Ų7830.3 Ų30.329%0.29415%0.153SC..Hα-helixtrans-70.2-36.1179.1-173.259.8-174.8144.67.5112.3P126 K132 Q133 L134 E137 L265 V279P126-R130 WeakPolarHBondContact O-CB 3.18Å; P126-R130 PolarHBondContact O-N 2.95Å; R130-K132 PolarHBondContact O-N 3.45Å; R130-Q133 VanDerWaalsContact NH1-OE1 3.12Å; R130-Q133 PolarHBondContact O-N 3.3Å; R130-L134 HydrophobicContact CG-CD1 3.87Å; R130-L134 HydrophobicContact CG-CG 4.27Å; R130-L134 VanDerWaalsContact NH2-CD2 3.26Å; R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 VanDerWaalsContact O-CG 3.31Å; R130-L134 WeakPolarHBondContact O-CG 3.48Å; R130-L134 PolarHBondContact O-N 2.78Å; R130-E137 IonicContact CZ-OE1 2.74Å; R130-E137 IonicContact CZ-OE2 2.62Å; R130-E137 IonicContact NH1-OE1 3.18Å; R130-E137 PolarHBondContact NH1-OE1 2.88Å; R130-E137 IonicContact NH1-OE2 3.46Å; R130-E137 IonicContact NH2-OE1 3.5Å; R130-E137 IonicContact NH2-OE2 3.16Å; R130-E137 PolarHBondContact NH2-OE2 3.31Å; R130-L265 HydrophobicContact CB-CD2 3.91Å; R130-L265 HydrophobicContact CG-CD2 3.91Å; R130-V279 HydrophobicContact CB-CG2 3.73Å; R130-V279 HydrophobicContact CG-CG2 3.76Å
131M98.7Very high97.6Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-59.6-46.4175-175.3-177.5-79.100111A127 F128 Q133 L134 I135 L187 V249 V251 L258 A260 L265A127-M131 WeakPolarHBondContact O-CB 3.45Å; A127-M131 PolarHBondContact O-N 2.84Å; F128-M131 HydrophobicContact CD1-SD 4.22Å; F128-M131 HydrophobicContact CE1-SD 4.49Å; F128-M131 PolarHBondContact O-N 2.79Å; M131-Q133 PolarHBondContact O-N 2.94Å; M131-L134 PolarHBondContact O-N 2.88Å; M131-I135 HydrophobicContact CG-CD1 4.04Å; M131-I135 VanDerWaalsContact O-CG1 3.3Å; M131-I135 WeakPolarHBondContact O-CG1 3.5Å; M131-I135 PolarHBondContact O-N 3.43Å; M131-L187 HydrophobicContact CB-CD2 3.98Å; M131-L187 HydrophobicContact CG-CD2 3.95Å; M131-L187 HydrophobicContact SD-CD1 3.63Å; M131-L187 HydrophobicContact SD-CD2 3.94Å; M131-L187 HydrophobicContact SD-CG 4.41Å; M131-V249 HydrophobicContact SD-CG1 4.48Å; M131-V251 HydrophobicContact SD-CG2 3.97Å; M131-L258 HydrophobicContact CE-CB 4.06Å; M131-L258 HydrophobicContact CG-CB 4.16Å; M131-L258 HydrophobicContact CG-CD1 3.9Å; M131-A260 HydrophobicContact CE-CB 3.69Å; M131-L265 HydrophobicContact CB-CD1 4Å; M131-L265 HydrophobicContact CB-CD2 4.25Å; M131-L265 HydrophobicContact CE-CD1 3.41Å; M131-L265 VanDerWaalsContact CE-CD1 3.41Å; M131-L265 HydrophobicContact CG-CD1 4.33Å
132K98.4Very high97.7Very high45 Ų4537.6 Ų37.620%0.19619%0.192CC..Hα-helixtrans-57.3-49.9175.1-179.7171.5176.354.80111.8F128 V129 R130 L134 I135 E136 F186 L187F128-K132 WeakPolarHBondContact O-CB 3.49Å; F128-K132 PolarHBondContact O-N 3.04Å; V129-K132 PolarHBondContact O-N 3.45Å; R130-K132 PolarHBondContact O-N 3.45Å; K132-L134 VanDerWaalsContact C-N 3.33Å; K132-L134 PolarHBondContact O-N 3.14Å; K132-I135 PolarHBondContact O-N 3.17Å; K132-E136 WeakPolarHBondContact CE-OE1 3.44Å; K132-E136 WeakPolarHBondContact CG-OE1 3.39Å; K132-E136 IonicContact NZ-OE1 2.87Å; K132-E136 PolarHBondContact NZ-OE1 2.95Å; K132-E136 WeakPolarHBondContact O-CG 3.18Å; K132-E136 PolarHBondContact O-N 3.23Å; K132-F186 HydrophobicContact CB-CE1 4.13Å; K132-F186 HydrophobicContact CB-CZ 4.41Å; K132-F186 HydrophobicContact CD-CD1 4.15Å; K132-F186 HydrophobicContact CD-CD2 3.96Å; K132-F186 HydrophobicContact CD-CE1 3.65Å; K132-F186 HydrophobicContact CD-CE2 3.42Å; K132-F186 VanDerWaalsContact CD-CE2 3.42Å; K132-F186 HydrophobicContact CD-CG 4.31Å; K132-F186 HydrophobicContact CD-CZ 3.27Å; K132-F186 HydrophobicContact CG-CZ 4.45Å; K132-F186 PolarHBondContact NZ-O 2.86Å; K132-L187 HydrophobicContact CB-CD2 4.12Å
133Q98.3Very high97.7Very high80 Ų8038.7 Ų38.737%0.37420%0.2SC..Hα-helixtrans-57.8-44.5177.8-70.1171.7-8.700112.1V129 R130 M131 I135 E136 E137V129-Q133 WeakPolarHBondContact O-CG 3.4Å; V129-Q133 PolarHBondContact O-N 3Å; R130-Q133 VanDerWaalsContact NH1-OE1 3.12Å; R130-Q133 PolarHBondContact O-N 3.3Å; M131-Q133 PolarHBondContact O-N 2.94Å; Q133-I135 PolarHBondContact O-N 2.88Å; Q133-E136 PolarHBondContact O-N 3.06Å; Q133-E137 WeakPolarHBondContact O-CB 3.24Å; Q133-E137 WeakPolarHBondContact O-CG 3.26Å; Q133-E137 PolarHBondContact O-N 3.07Å
134L98.6Very high97.7Very high7 Ų742.1 Ų42.14%0.03722%0.219CC..Hα-helixtrans-67.2-34.4179.9-74.2166.8000112.9R130 M131 K132 G138 Y139 L258 L265 L278R130-L134 HydrophobicContact CG-CD1 3.87Å; R130-L134 HydrophobicContact CG-CG 4.27Å; R130-L134 VanDerWaalsContact NH2-CD2 3.26Å; R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 VanDerWaalsContact O-CG 3.31Å; R130-L134 WeakPolarHBondContact O-CG 3.48Å; R130-L134 PolarHBondContact O-N 2.78Å; M131-L134 PolarHBondContact O-N 2.88Å; K132-L134 VanDerWaalsContact C-N 3.33Å; K132-L134 PolarHBondContact O-N 3.14Å; L134-G138 PolarHBondContact O-N 2.82Å; L134-Y139 HydrophobicContact CB-CG 4.44Å; L134-Y139 HydrophobicContact CD2-CD2 3.79Å; L134-Y139 HydrophobicContact CD2-CG 4.18Å; L134-Y139 WeakPolarHBondContact O-CB 3.43Å; L134-Y139 PolarHBondContact O-N 2.7Å; L134-L258 HydrophobicContact CB-CD1 3.72Å; L134-L258 HydrophobicContact CB-CD2 4.41Å; L134-L258 HydrophobicContact CD1-CD1 4.42Å; L134-L258 HydrophobicContact CD1-CD2 3.78Å; L134-L265 HydrophobicContact CD1-CD2 3.95Å; L134-L278 HydrophobicContact CD1-CD1 3.6Å
135I98.4Very high97.9Very high18 Ų1843.9 Ų43.99%0.09223%0.23CC..Hα-helixtrans-63-47.6172.1-68.7165000109.5M131 K132 Q133 E137 G138 V140 P143 L187 V251 L258M131-I135 HydrophobicContact CG-CD1 4.04Å; M131-I135 VanDerWaalsContact O-CG1 3.3Å; M131-I135 WeakPolarHBondContact O-CG1 3.5Å; M131-I135 PolarHBondContact O-N 3.43Å; K132-I135 PolarHBondContact O-N 3.17Å; Q133-I135 PolarHBondContact O-N 2.88Å; I135-E137 VanDerWaalsContact C-N 3.34Å; I135-E137 PolarHBondContact O-N 3.48Å; I135-G138 PolarHBondContact O-N 3.42Å; I135-V140 HydrophobicContact CG1-CG2 4.22Å; I135-P143 HydrophobicContact CG2-CG 3.96Å; I135-L187 HydrophobicContact CD1-CB 4.24Å; I135-V251 HydrophobicContact CD1-CB 4.43Å; I135-V251 HydrophobicContact CD1-CG1 4.11Å; I135-V251 HydrophobicContact CD1-CG2 4.19Å; I135-V251 HydrophobicContact CG1-CG1 4.49Å; I135-L258 HydrophobicContact CG1-CD1 3.95Å
136E97.8Very high98Very high126 Ų12643.9 Ų43.959%0.58923%0.23SC*.Hα-helixtrans-65.6-33.8178.5-69.2168.7177.900112.8K132 Q133 G138K132-E136 WeakPolarHBondContact CE-OE1 3.44Å; K132-E136 WeakPolarHBondContact CG-OE1 3.39Å; K132-E136 IonicContact NZ-OE1 2.87Å; K132-E136 PolarHBondContact NZ-OE1 2.95Å; K132-E136 WeakPolarHBondContact O-CG 3.18Å; K132-E136 PolarHBondContact O-N 3.23Å; Q133-E136 PolarHBondContact O-N 3.06Å; E136-G138 PolarHBondContact O-N 3.02Å
137E98Very high98.1Very high122 Ų12246.7 Ų46.757%0.5724%0.24SC*.THydrogen-bonded Turntrans-72.3-5.5172.2-72.1166.1-158.200112.8R130 Q133 I135R130-E137 IonicContact CZ-OE1 2.74Å; R130-E137 IonicContact CZ-OE2 2.62Å; R130-E137 IonicContact NH1-OE1 3.18Å; R130-E137 PolarHBondContact NH1-OE1 2.88Å; R130-E137 IonicContact NH1-OE2 3.46Å; R130-E137 IonicContact NH2-OE1 3.5Å; R130-E137 IonicContact NH2-OE2 3.16Å; R130-E137 PolarHBondContact NH2-OE2 3.31Å; Q133-E137 WeakPolarHBondContact O-CB 3.24Å; Q133-E137 WeakPolarHBondContact O-CG 3.26Å; Q133-E137 PolarHBondContact O-N 3.07Å; I135-E137 VanDerWaalsContact C-N 3.34Å; I135-E137 PolarHBondContact O-N 3.48Å
138G97.9Very high98.2Very high35 Ų3546.8 Ų46.836%0.36124%0.241SC..THydrogen-bonded Turntrans76.921.6179.400000114.5L134 I135 E136 V140 G141L134-G138 PolarHBondContact O-N 2.82Å; I135-G138 PolarHBondContact O-N 3.42Å; E136-G138 PolarHBondContact O-N 3.02Å; G138-V140 VanDerWaalsContact C-N 3.25Å; G138-V140 PolarHBondContact O-N 2.84Å; G138-G141 PolarHBondContact O-N 3.17Å
139Y98.2Very high98.2Very high9 Ų951.2 Ų51.24%0.03526%0.262CS..THydrogen-bonded Turntrans-55.1-41.7178.7-175-81000112.1L134 L258 G267 Q268 R269 E276L134-Y139 HydrophobicContact CB-CG 4.44Å; L134-Y139 HydrophobicContact CD2-CD2 3.79Å; L134-Y139 HydrophobicContact CD2-CG 4.18Å; L134-Y139 WeakPolarHBondContact O-CB 3.43Å; L134-Y139 PolarHBondContact O-N 2.7Å; Y139-L258 HydrophobicContact CD1-CD2 3.8Å; Y139-L258 HydrophobicContact CD1-CG 4.08Å; Y139-L258 HydrophobicContact CE1-CD2 3.84Å; Y139-L258 HydrophobicContact CE1-CG 4.42Å; Y139-L258 HydrophobicContact CG-CD2 4.45Å; Y139-G267 VanDerWaalsContact OH-C 3.31Å; Y139-G267 WeakPolarHBondContact OH-CA 3.19Å; Y139-Q268 PolarHBondContact OH-N 3.17Å; Y139-R269 HydrophobicContact CE1-CG 4.07Å; Y139-R269 HydrophobicContact CE2-CG 4.19Å; Y139-E276 PolarHBondContact OH-OE1 3.1Å
140V98.2Very high98.3Very high0 Ų049.5 Ų49.50%025%0.251CS..THydrogen-bonded Turntrans-920.4177.7-60.30000113.2I135 G138 P143 G253 S254 A255 L258I135-V140 HydrophobicContact CG1-CG2 4.22Å; G138-V140 VanDerWaalsContact C-N 3.25Å; G138-V140 PolarHBondContact O-N 2.84Å; V140-P143 HydrophobicContact CG2-CG 4.4Å; V140-G253 CarbonylContact O-C 3.58Å; V140-G253 WeakPolarHBondContact O-CA 2.99Å; V140-S254 PolarHBondContact O-N 2.84Å; V140-A255 PolarHBondContact O-N 3.46Å; V140-L258 HydrophobicContact CG1-CB 4.45Å; V140-L258 HydrophobicContact CG1-CD1 3.89Å; V140-L258 HydrophobicContact CG1-CG 3.74Å
141G97.8Very high98.2Very high24 Ų2448 Ų4825%0.24725%0.248CC..SBendtrans66.7-135.5-168.600000111.1G138 P143G138-G141 PolarHBondContact O-N 3.17Å; G141-P143 WeakPolarHBondContact O-CD 3.29Å
142E97Very high98Very high140 Ų14048.1 Ų48.165%0.65425%0.248SC*.SBendtrans-76.9120.6174.3-64.6-59.8147.100109.5L144 G253 S254E142-L144 WeakPolarHBondContact O-CG 3.46Å; E142-L144 PolarHBondContact O-N 3.45Å; E142-G253 CarbonylContact O-C 3.44Å; E142-G253 WeakPolarHBondContact O-CA 3.46Å; E142-S254 PolarHBondContact N-OG 3.08Å; E142-S254 PolarHBondContact O-N 3.01Å
143P98.1Very high97.7Very high25 Ų2547.5 Ų47.516%0.16226%0.255CS..EExtended strand (participates in β ladder)trans-60.7134.2173.5-22.434.6000110.9I135 V140 G141 V231 V251I135-P143 HydrophobicContact CG2-CG 3.96Å; V140-P143 HydrophobicContact CG2-CG 4.4Å; G141-P143 WeakPolarHBondContact O-CD 3.29Å; P143-V231 HydrophobicContact CB-CG2 4.2Å; P143-V231 WeakPolarHBondContact O-CG2 3.5Å; P143-V251 HydrophobicContact CB-CG1 4.45Å
144L98.4Very high97.5Very high88 Ų8847.3 Ų47.346%0.46126%0.263SS..EExtended strand (participates in β ladder)trans-120.6-46.7-177.2-59.7175.7000111.6E142 C232 V252E142-L144 WeakPolarHBondContact O-CG 3.46Å; E142-L144 PolarHBondContact O-N 3.45Å; L144-C232 PolarHBondContact O-N 3.49Å; L144-V252 PolarHBondContact N-O 3.19Å
145V98.7Very high97Very high48 Ų4850.1 Ų50.129%0.29128%0.277SS..EExtended strand (participates in β ladder)trans-136.5134.9-173.9-175.40000110.2E147 C232 V252V145-E147 HydrophobicContact CG1-CG 3.93Å; V145-C232 CarbonylContact C-O 3.51Å; V145-C232 VanDerWaalsContact CA-O 3.27Å; V145-C232 WeakPolarHBondContact CA-O 3.45Å; V145-V252 HydrophobicContact CB-CB 4.48Å; V145-V252 PolarHBondContact N-O 3.02Å; V145-V252 PolarHBondContact O-N 3.21Å
146C98.8Very high96.7Very high1 Ų150.8 Ų50.81%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-114.4132.2165.4-55.30000109.9L184 C232 C233 T234 T250C146-L184 HydrophobicContact CB-CD2 3.58Å; C146-C232 PolarHBondContact N-O 2.83Å; C146-C233 HydrophobicContact CB-CB 4.34Å; C146-C233 CarbonylContact O-C 3.57Å; C146-C233 VanDerWaalsContact O-CA 3.24Å; C146-C233 WeakPolarHBondContact O-CA 3.33Å; C146-T234 PolarHBondContact O-N 2.98Å; C146-T250 CarbonylContact C-O 3.53Å; C146-T250 VanDerWaalsContact CA-O 3.26Å; C146-T250 WeakPolarHBondContact CA-O 3.46Å
147E98.8Very high96.3Very high97 Ų9746.5 Ų46.545%0.45327%0.27SS..EExtended strand (participates in β ladder)trans-123130.5176.2-61.6-173.9161.300109.4V145 T234 T250V145-E147 HydrophobicContact CG1-CG 3.93Å; E147-T234 WeakPolarHBondContact CA-O 3.49Å; E147-T250 PolarHBondContact N-O 3.22Å; E147-T250 PolarHBondContact O-N 2.9Å
148V98.8Very high95.8Very high2 Ų248.4 Ų48.41%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-129.5129.6178.2-176.20000110.1V150 I180 L184 T234 V235 T236 D248 V249V148-V150 HydrophobicContact CG1-CG2 4.04Å; V148-I180 HydrophobicContact CB-CG2 3.98Å; V148-I180 HydrophobicContact CG1-CD1 3.92Å; V148-I180 HydrophobicContact CG1-CG1 4.13Å; V148-I180 HydrophobicContact CG1-CG2 3.72Å; V148-I180 HydrophobicContact CG2-CG2 3.91Å; V148-L184 HydrophobicContact CG2-CD1 4.2Å; V148-L184 HydrophobicContact CG2-CD2 3.94Å; V148-L184 HydrophobicContact CG2-CG 4.31Å; V148-T234 PolarHBondContact N-O 2.8Å; V148-V235 HydrophobicContact CB-CB 4.47Å; V148-V235 HydrophobicContact CB-CG1 4.16Å; V148-V235 HydrophobicContact CB-CG2 4.1Å; V148-V235 HydrophobicContact CG1-CG1 4.39Å; V148-V235 HydrophobicContact CG2-CG2 4.4Å; V148-V235 CarbonylContact O-C 2.98Å; V148-V235 WeakPolarHBondContact O-CA 3.21Å; V148-T236 PolarHBondContact O-N 2.93Å; V148-D248 WeakPolarHBondContact CA-O 3.31Å; V148-V249 HydrophobicContact CG1-CG2 4.04Å; V148-V249 HydrophobicContact CG2-CB 4.49Å; V148-V249 HydrophobicContact CG2-CG1 4.15Å; V148-V249 HydrophobicContact CG2-CG2 4.17Å
149Q98.3Very high95.4Very high95 Ų9554.9 Ų54.944%0.44430%0.295SS..EExtended strand (participates in β ladder)trans-123.8124.1171.8-64.2-173.114.200108.9H151 Q247 D248Q149-H151 PolarHBondContact OE1-CE1 2.84Å; Q149-Q247 WeakPolarHBondContact O-CA 3.39Å; Q149-D248 PolarHBondContact N-O 2.89Å; Q149-D248 PolarHBondContact O-N 3Å
150V98.2Very high95.1Very high0 Ų056.5 Ų56.50%030%0.301CS..EExtended strand (participates in β ladder)trans-124.3117.7172-172.20000109.2V148 V176 I180 T236 L237 N238 F245 K246 Q247V148-V150 HydrophobicContact CG1-CG2 4.04Å; V150-V176 HydrophobicContact CB-CG1 4.16Å; V150-V176 HydrophobicContact CG1-CG1 3.88Å; V150-V176 HydrophobicContact CG2-CG1 4.06Å; V150-I180 HydrophobicContact CG2-CD1 4.01Å; V150-I180 HydrophobicContact CG2-CG1 4.17Å; V150-T236 PolarHBondContact N-O 3.32Å; V150-L237 HydrophobicContact CB-CD2 3.8Å; V150-L237 HydrophobicContact CG2-CD2 3.87Å; V150-L237 CarbonylContact O-C 3.57Å; V150-L237 WeakPolarHBondContact O-CA 3.39Å; V150-N238 PolarHBondContact O-N 3.46Å; V150-F245 HydrophobicContact CG1-CD2 4.47Å; V150-F245 HydrophobicContact CG1-CE1 4.09Å; V150-F245 HydrophobicContact CG1-CE2 3.49Å; V150-F245 VanDerWaalsContact CG1-CE2 3.49Å; V150-F245 HydrophobicContact CG1-CZ 3.26Å; V150-K246 CarbonylContact C-O 3.55Å; V150-K246 WeakPolarHBondContact CA-O 3.03Å; V150-Q247 HydrophobicContact CG2-CB 4.33Å; V150-Q247 HydrophobicContact CG2-CG 4.05Å
151H96.5Very high94.8Very high47 Ų4759 Ų5922%0.21832%0.315CS..EExtended strand (participates in β ladder)trans-122.7142-178.8-56.9150.2000110Q149 N238 V241 F245 K246Q149-H151 PolarHBondContact OE1-CE1 2.84Å; H151-N238 CarbonylContact C-O 3.59Å; H151-N238 VanDerWaalsContact CA-O 3.32Å; H151-N238 WeakPolarHBondContact CA-O 3.26Å; H151-V241 HydrophobicContact CB-CB 4.21Å; H151-V241 HydrophobicContact CB-CG1 4.46Å; H151-V241 HydrophobicContact CB-CG2 4.07Å; H151-F245 CarbonylContact O-C 3.58Å; H151-F245 WeakPolarHBondContact O-CA 3.37Å; H151-K246 PolarHBondContact N-O 3.19Å; H151-K246 PolarHBondContact O-N 3.19Å
152G94.9Very high94.5Very high1 Ų161 Ų611%0.0132%0.315CS..  trans-171.2178.8173.600000112.4N238 F239 N240 V241G152-N238 PolarHBondContact N-O 3.37Å; G152-F239 CarbonylContact O-C 3.5Å; G152-F239 WeakPolarHBondContact O-CA 3.47Å; G152-N240 PolarHBondContact O-N 2.9Å; G152-V241 CarbonylContact C-O 3.58Å; G152-V241 PolarHBondContact O-N 2.82Å
153G93.1Very high94.3Very high33 Ų3354.9 Ų54.934%0.3429%0.288SS..SBendtrans-70.9-179.6171.900000112.5L155 F239 V241G153-L155 PolarHBondContact O-N 2.96Å; G153-F239 CarbonylContact C-O 3.6Å; G153-V241 WeakPolarHBondContact CA-O 3.49Å; G153-V241 PolarHBondContact N-O 3.03Å; G153-V241 VanDerWaalsContact N-O 3.12Å
154S92.4Very high94.1Very high76 Ų7653.7 Ų53.753%0.53128%0.28SS..  trans-55.8133.6-178.7-178.80000112.4L156 F239S154-L156 PolarHBondContact O-N 3.32Å; S154-L156 WeakPolarHBondContact OG-CB 3.36Å; S154-L156 PolarHBondContact OG-N 3.23Å; S154-L156 VanDerWaalsContact OG-N 3.15Å; S154-F239 WeakPolarHBondContact CA-O 3.25Å; S154-F239 PolarHBondContact N-O 2.74Å
155L89.5Confident93.9Very high65 Ų6549.5 Ų49.534%0.3426%0.258SS..  trans-78.9-1.5171.7-59.8178.9000113G153 F239G153-L155 PolarHBondContact O-N 2.96Å; L155-F239 HydrophobicContact CD1-CB 4.38Å; L155-F239 HydrophobicContact CD1-CD1 3.85Å; L155-F239 HydrophobicContact CD1-CD2 3.63Å; L155-F239 HydrophobicContact CD1-CE1 4.05Å; L155-F239 HydrophobicContact CD1-CE2 3.85Å; L155-F239 HydrophobicContact CD1-CG 3.64Å; L155-F239 HydrophobicContact CD1-CZ 4.06Å; L155-F239 HydrophobicContact CD2-CD1 3.59Å; L155-F239 HydrophobicContact CD2-CE1 3.85Å; L155-F239 HydrophobicContact CD2-CG 4.14Å; L155-F239 HydrophobicContact CG-CB 4.01Å; L155-F239 HydrophobicContact CG-CD1 3.61Å; L155-F239 HydrophobicContact CG-CD2 4.14Å; L155-F239 HydrophobicContact CG-CE1 4.15Å; L155-F239 HydrophobicContact CG-CG 3.61Å
156L91.7Very high93.6Very high32 Ų3249 Ų4917%0.16825%0.254CS..  trans-90.2134.1-173.9-55.2173.2000110.9S154 C164 V203 T206 I215S154-L156 PolarHBondContact O-N 3.32Å; S154-L156 WeakPolarHBondContact OG-CB 3.36Å; S154-L156 PolarHBondContact OG-N 3.23Å; S154-L156 VanDerWaalsContact OG-N 3.15Å; L156-C164 HydrophobicContact CD2-CB 4.34Å; L156-V203 HydrophobicContact CD1-CG1 4.15Å; L156-T206 HydrophobicContact CD1-CG2 4.16Å; L156-I215 HydrophobicContact CD1-CD1 3.53Å; L156-I215 HydrophobicContact CD1-CG1 4.28Å; L156-I215 HydrophobicContact CD1-CG2 4.25Å; L156-I215 HydrophobicContact CD2-CG2 4.15Å
157G88.4Confident93.3Very high36 Ų3653.2 Ų53.237%0.37128%0.276SS..  trans-79.5-175.4171.900000113.2K159G157-K159 PolarHBondContact O-N 3.36Å
158K88.3Confident92.9Very high163 Ų16348.7 Ų48.771%0.70926%0.255SS*.SBendtrans-75.5-9.5175.8-61-175.2-179.5-177.70114H208K158-H208 WeakPolarHBondContact O-CB 3.02Å
159K90Very high92.6Very high171 Ų17148.6 Ų48.674%0.74325%0.254SS*.SBendtrans-132145.9-179.5-65.3-176.7-178.6179.90108.8G157 N161G157-K159 PolarHBondContact O-N 3.36Å; K159-N161 PolarHBondContact O-N 2.62Å
160Y91.8Very high92.4Very high43 Ų4344.1 Ų44.117%0.16923%0.233CC..  trans-62.6123.5173.6-165.8-103.6000109.6C164 I209 R213 Q214 I215 Y389Y160-C164 HydrophobicContact CD2-CB 3.5Å; Y160-C164 VanDerWaalsContact CD2-CB 3.5Å; Y160-C164 HydrophobicContact CE2-CB 3.33Å; Y160-C164 HydrophobicContact CG-CB 4.29Å; Y160-I209 HydrophobicContact CD2-CG2 3.57Å; Y160-I209 HydrophobicContact CE2-CG2 4.45Å; Y160-I209 HydrophobicContact CG-CG2 4.32Å; Y160-R213 HydrophobicContact CD1-CB 4.26Å; Y160-R213 HydrophobicContact CD2-CB 4.44Å; Y160-R213 HydrophobicContact CE1-CB 4.04Å; Y160-R213 VanDerWaalsContact CE1-CD 3.5Å; Y160-R213 HydrophobicContact CE1-CG 4.31Å; Y160-R213 HydrophobicContact CE2-CB 4.19Å; Y160-R213 HydrophobicContact CG-CB 4.48Å; Y160-Q214 PolarHBondContact OH-O 2.87Å; Y160-Q214 VanDerWaalsContact OH-O 3.11Å; Y160-I215 HydrophobicContact CE2-CG1 4.33Å; Y160-Y389 HydrophobicContact CD1-CD1 4.25Å; Y160-Y389 AromaticContact CD1-CE1 3.23Å; Y160-Y389 HydrophobicContact CD1-CE1 3.23Å; Y160-Y389 AromaticContact CD1-CZ 3.74Å; Y160-Y389 AromaticContact CE1-CE1 3.56Å; Y160-Y389 HydrophobicContact CE1-CE1 3.56Å; Y160-Y389 AromaticContact CE1-CZ 3.52Å; Y160-Y389 WeakPolarHBondContact CE1-OH 3.41Å; Y160-Y389 HydrophobicContact CG-CE1 4.2Å; Y160-Y389 WeakPolarHBondContact O-CD1 3.16Å
161N91Very high92.3Very high53 Ų5344.2 Ų44.228%0.28323%0.234SC..  trans-139.6-168.4179.567.314.3000110.1K159 S163 C164 Y389K159-N161 PolarHBondContact O-N 2.62Å; N161-S163 PolarHBondContact O-N 2.96Å; N161-S163 PolarHBondContact OD1-N 3.48Å; N161-S163 PolarHBondContact OD1-OG 2.93Å; N161-C164 WeakPolarHBondContact O-CB 3.18Å; N161-C164 PolarHBondContact O-N 2.99Å; N161-Y389 VanDerWaalsContact CA-CD1 3.49Å; N161-Y389 VanDerWaalsContact O-CE1 3.31Å; N161-Y389 WeakPolarHBondContact O-CE1 3.46Å; N161-Y389 PolarHBondContact O-OH 2.61Å
162W91.3Very high92.3Very high64 Ų6442 Ų4224%0.24222%0.224CC..G310 helixtrans-59.8-30.5178.667.3-93000113.4P72 P73 C164 D165 M168 G169P72-W162 HydrophobicContact CB-CB 4.37Å; P72-W162 VanDerWaalsContact CB-CD1 3.43Å; P72-W162 HydrophobicContact CB-CD2 4.33Å; P72-W162 HydrophobicContact CB-CG 3.79Å; P72-W162 HydrophobicContact CG-CG 4.38Å; P73-W162 VanDerWaalsContact CD-CE3 3.44Å; P73-W162 HydrophobicContact CG-CD2 4.42Å; P73-W162 HydrophobicContact CG-CE3 3.82Å; P73-W162 HydrophobicContact CG-CH2 4.15Å; P73-W162 HydrophobicContact CG-CZ3 3.68Å; W162-C164 PolarHBondContact O-N 3.22Å; W162-D165 PolarHBondContact O-N 2.94Å; W162-D165 VanDerWaalsContact O-N 3.15Å; W162-M168 HydrophobicContact CB-CB 4.05Å; W162-G169 VanDerWaalsContact CZ3-O 3.3Å; W162-G169 WeakPolarHBondContact CZ3-O 3.35Å
163S92.9Very high92.5Very high12 Ų1242 Ų428%0.08422%0.224CC..G310 helixtrans-71.2-15.5-176.375.40000112.8N161 G170 G171 S217N161-S163 PolarHBondContact O-N 2.96Å; N161-S163 PolarHBondContact OD1-N 3.48Å; N161-S163 PolarHBondContact OD1-OG 2.93Å; S163-G170 VanDerWaalsContact O-CA 3.27Å; S163-G170 WeakPolarHBondContact O-CA 3.34Å; S163-G171 PolarHBondContact O-N 3.28Å; S163-S217 VanDerWaalsContact O-CB 3.26Å; S163-S217 WeakPolarHBondContact O-CB 3.29Å; S163-S217 PolarHBondContact O-OG 3.45Å; S163-S217 VanDerWaalsContact O-OG 3.12Å
164C94.4Very high92.7Very high0 Ų040.5 Ų40.50%021%0.208CC..G310 helixtrans-84.1-9.7176.4-540000113.5L156 Y160 N161 W162 I215 T216 S217L156-C164 HydrophobicContact CD2-CB 4.34Å; Y160-C164 HydrophobicContact CD2-CB 3.5Å; Y160-C164 VanDerWaalsContact CD2-CB 3.5Å; Y160-C164 HydrophobicContact CE2-CB 3.33Å; Y160-C164 HydrophobicContact CG-CB 4.29Å; N161-C164 WeakPolarHBondContact O-CB 3.18Å; N161-C164 PolarHBondContact O-N 2.99Å; W162-C164 PolarHBondContact O-N 3.22Å; C164-I215 HydrophobicContact CB-CG1 4.13Å; C164-I215 WeakPolarHBondContact O-CA 3.41Å; C164-T216 PolarHBondContact O-N 2.98Å; C164-S217 VanDerWaalsContact C-OG 3.29Å; C164-S217 WeakPolarHBondContact CA-OG 3.42Å; C164-S217 PolarHBondContact O-N 2.95Å; C164-S217 PolarHBondContact O-OG 3.12Å
165D93.4Very high92.7Very high1 Ų137.6 Ų37.61%0.00519%0.188CC..  trans-120.3118-171.7-171.2-39.4000110.7W162 L167 M168 G170 T216 R385W162-D165 PolarHBondContact O-N 2.94Å; W162-D165 VanDerWaalsContact O-N 3.15Å; D165-L167 VanDerWaalsContact C-N 3.26Å; D165-L167 PolarHBondContact O-N 3.21Å; D165-L167 WeakPolarHBondContact OD1-CB 3.25Å; D165-L167 PolarHBondContact OD1-N 3.21Å; D165-M168 HydrophobicContact CB-CB 4Å; D165-M168 HydrophobicContact CB-CG 3.79Å; D165-M168 PolarHBondContact O-N 3.02Å; D165-G170 WeakPolarHBondContact O-CA 3.44Å; D165-G170 PolarHBondContact O-N 2.89Å; D165-T216 WeakPolarHBondContact CA-OG1 3.47Å; D165-R385 IonicContact OD2-CZ 2.8Å; D165-R385 IonicContact OD2-NH1 3.09Å; D165-R385 PolarHBondContact OD2-NH1 2.82Å
166D93.4Very high93.1Very high38 Ų3835 Ų3520%0.20317%0.174CC..G310 helixtrans-59-36-178.2-177.260.9000113.1M168 G169 T216 K351D166-M168 PolarHBondContact O-N 3.27Å; D166-G169 PolarHBondContact O-N 3.42Å; D166-T216 PolarHBondContact N-OG1 2.76Å; D166-K351 PolarHBondContact O-NZ 3.47Å; D166-K351 WeakPolarHBondContact OD1-CE 3.43Å; D166-K351 IonicContact OD1-NZ 3.8Å; D166-K351 PolarHBondContact OD1-NZ 3.28Å; D166-K351 IonicContact OD2-NZ 3.86Å; D166-K351 PolarHBondContact OD2-NZ 3.08Å
167L91.7Very high93.3Very high88 Ų8833.4 Ų33.446%0.46117%0.166SC..G310 helixtrans-75-17.9-179.9-62.2177.3000112.4D165 G169 R382D165-L167 VanDerWaalsContact C-N 3.26Å; D165-L167 PolarHBondContact O-N 3.21Å; D165-L167 WeakPolarHBondContact OD1-CB 3.25Å; D165-L167 PolarHBondContact OD1-N 3.21Å; L167-G169 VanDerWaalsContact C-N 3.33Å; L167-R382 WeakPolarHBondContact O-CD 3.38Å
168M91.2Very high93.8Very high3 Ų332 Ų322%0.01515%0.151CC..G310 helixtrans-94.98.1178.9-59.3-67-84.900112.3P74 W162 D165 D166 R382 M386 Y389P74-M168 HydrophobicContact CB-CE 4.16Å; P74-M168 HydrophobicContact CB-SD 4.46Å; P74-M168 WeakPolarHBondContact CD-O 3.45Å; P74-M168 HydrophobicContact CG-CB 4.01Å; P74-M168 HydrophobicContact CG-CE 3.68Å; P74-M168 WeakPolarHBondContact CG-O 3.19Å; P74-M168 HydrophobicContact CG-SD 3.85Å; W162-M168 HydrophobicContact CB-CB 4.05Å; D165-M168 HydrophobicContact CB-CB 4Å; D165-M168 HydrophobicContact CB-CG 3.79Å; D165-M168 PolarHBondContact O-N 3.02Å; D166-M168 PolarHBondContact O-N 3.27Å; M168-R382 HydrophobicContact SD-CB 3.94Å; M168-R382 HydrophobicContact SD-CG 3.65Å; M168-M386 HydrophobicContact CE-CB 4.44Å; M168-M386 HydrophobicContact CE-CG 3.36Å; M168-M386 HydrophobicContact CE-SD 4.48Å; M168-Y389 HydrophobicContact CE-CE2 4.25Å
169G92.4Very high94.2Very high0 Ų025.2 Ų25.20%012%0.121CC..THydrogen-bonded Turntrans8222-17600000113.6W162 D166 L167 H174W162-G169 VanDerWaalsContact CZ3-O 3.3Å; W162-G169 WeakPolarHBondContact CZ3-O 3.35Å; D166-G169 PolarHBondContact O-N 3.42Å; L167-G169 VanDerWaalsContact C-N 3.33Å; G169-H174 VanDerWaalsContact O-CG 3.29Å; G169-H174 PolarHBondContact O-ND1 3.36Å; G169-H174 VanDerWaalsContact O-ND1 3.11Å
170G94Very high94.6Very high0 Ų017.1 Ų17.10%09%0.085CC..  trans-75.3170.1172.100000113.4S163 D165 H174S163-G170 VanDerWaalsContact O-CA 3.27Å; S163-G170 WeakPolarHBondContact O-CA 3.34Å; D165-G170 WeakPolarHBondContact O-CA 3.44Å; D165-G170 PolarHBondContact O-N 2.89Å; G170-H174 WeakPolarHBondContact O-CB 3.36Å
171G96.2Very high94.9Very high3 Ų315 Ų153%0.0318%0.077CC..SBendtrans94.7164.4171.600000115.1S163 H174 S175 S217 D218S163-G171 PolarHBondContact O-N 3.28Å; G171-H174 PolarHBondContact O-N 3.47Å; G171-S175 WeakPolarHBondContact O-CA 3.28Å; G171-S175 WeakPolarHBondContact O-CB 3.44Å; G171-S175 PolarHBondContact O-N 3.11Å; G171-S175 PolarHBondContact O-OG 3.16Å; G171-S217 VanDerWaalsContact CA-CB 3.49Å; G171-S217 VanDerWaalsContact N-CB 3.31Å; G171-D218 CarbonylContact C-O 3.22Å; G171-D218 WeakPolarHBondContact CA-O 3.21Å; G171-D218 WeakPolarHBondContact CA-OD1 3.11Å
172G97.2Very high95.3Very high0 Ų012.6 Ų12.60%06%0.064CC..Hα-helixtrans-61.9-45.3-17600000113.5H174 S175 V176 G177 D218 L237G172-H174 PolarHBondContact O-N 3.14Å; G172-S175 PolarHBondContact O-N 2.82Å; G172-V176 PolarHBondContact O-N 2.89Å; G172-G177 PolarHBondContact O-N 3.19Å; G172-G177 VanDerWaalsContact O-N 3.08Å; G172-D218 WeakPolarHBondContact CA-OD2 3.34Å; G172-D218 PolarHBondContact N-O 2.99Å; G172-D218 PolarHBondContact N-OD1 3.33Å; G172-D218 PolarHBondContact N-OD2 3.22Å; G172-L237 WeakPolarHBondContact O-CD1 3.47Å
173L98.1Very high95.6Very high0 Ų09.6 Ų9.60%05%0.053CC..Iπ-helixtrans-61.9-45178.6178.863.9000111.8G177 T178 L199 D218 C221 F223 V347 I350 K351L173-G177 CarbonylContact O-C 3.56Å; L173-G177 WeakPolarHBondContact O-CA 3.35Å; L173-G177 PolarHBondContact O-N 2.97Å; L173-T178 PolarHBondContact O-N 2.85Å; L173-L199 HydrophobicContact CB-CD2 4.1Å; L173-L199 HydrophobicContact CD2-CD1 4.06Å; L173-L199 HydrophobicContact CD2-CD2 3.71Å; L173-L199 HydrophobicContact CD2-CG 4.28Å; L173-D218 PolarHBondContact N-OD1 3.26Å; L173-D218 PolarHBondContact N-OD2 2.93Å; L173-C221 HydrophobicContact CB-CB 4.28Å; L173-F223 HydrophobicContact CD1-CD1 4.02Å; L173-F223 HydrophobicContact CD1-CE1 3.78Å; L173-F223 HydrophobicContact CD1-CZ 4.47Å; L173-V347 HydrophobicContact CD1-CG2 4.23Å; L173-V347 HydrophobicContact CD2-CB 4.48Å; L173-V347 HydrophobicContact CD2-CG1 3.9Å; L173-V347 HydrophobicContact CG-CB 4.45Å; L173-V347 HydrophobicContact CG-CG1 3.97Å; L173-V347 HydrophobicContact CG-CG2 4.07Å; L173-I350 HydrophobicContact CD1-CD1 3.96Å; L173-I350 HydrophobicContact CD1-CG2 4.41Å; L173-I350 HydrophobicContact CD2-CB 3.99Å; L173-I350 HydrophobicContact CD2-CG2 3.81Å; L173-K351 HydrophobicContact CD2-CG 4.07Å
174H96.8Very high95.9Very high2 Ų29.1 Ų9.11%0.0095%0.049CC..Iπ-helixtrans-71.7-45.8177.8-163.8-71.1000111R94 T95 A96 G169 G170 G171 G172 T178 L344R94-H174 PolarHBondContact NH1-O 3.1Å; T95-H174 PolarHBondContact O-CE1 2.98Å; T95-H174 PolarHBondContact O-NE2 2.99Å; T95-H174 VanDerWaalsContact O-NE2 3.15Å; A96-H174 PolarHBondContact O-NE2 2.9Å; A96-H174 VanDerWaalsContact O-NE2 3.1Å; G169-H174 VanDerWaalsContact O-CG 3.29Å; G169-H174 PolarHBondContact O-ND1 3.36Å; G169-H174 VanDerWaalsContact O-ND1 3.11Å; G170-H174 WeakPolarHBondContact O-CB 3.36Å; G171-H174 PolarHBondContact O-N 3.47Å; G172-H174 PolarHBondContact O-N 3.14Å; H174-T178 WeakPolarHBondContact O-CB 3.27Å; H174-T178 VanDerWaalsContact O-CG2 3.26Å; H174-T178 WeakPolarHBondContact O-CG2 3.45Å; H174-T178 PolarHBondContact O-OG1 3.48Å; H174-L344 VanDerWaalsContact NE2-CD2 3.33Å; H174-L344 WeakPolarHBondContact NE2-CD2 2.9Å
175S93.7Very high96.1Very high15 Ų159.7 Ų9.711%0.1055%0.053CC..Iπ-helixtrans-78.2-25.2-169.7-58.10000115R94 G171 G172R94-S175 PolarHBondContact NH1-O 3.33Å; R94-S175 VanDerWaalsContact NH2-CA 3.28Å; R94-S175 PolarHBondContact NH2-O 3.36Å; G171-S175 WeakPolarHBondContact O-CA 3.28Å; G171-S175 WeakPolarHBondContact O-CB 3.44Å; G171-S175 PolarHBondContact O-N 3.11Å; G171-S175 PolarHBondContact O-OG 3.16Å; G172-S175 PolarHBondContact O-N 2.82Å
176V96.3Very high96.3Very high10 Ų1010.6 Ų10.66%0.0616%0.057CC..Iπ-helixtrans-127.9-39.6179.91740000110.2V150 G172 T178 Y179 I180 L237 F239V150-V176 HydrophobicContact CB-CG1 4.16Å; V150-V176 HydrophobicContact CG1-CG1 3.88Å; V150-V176 HydrophobicContact CG2-CG1 4.06Å; G172-V176 PolarHBondContact O-N 2.89Å; V176-T178 PolarHBondContact O-N 3.38Å; V176-Y179 WeakPolarHBondContact O-CB 3.36Å; V176-Y179 PolarHBondContact O-N 3.13Å; V176-I180 HydrophobicContact CG1-CG1 4.14Å; V176-I180 PolarHBondContact O-N 2.94Å; V176-I180 VanDerWaalsContact O-N 3.08Å; V176-L237 HydrophobicContact CG1-CD2 3.95Å; V176-F239 HydrophobicContact CB-CZ 3.78Å; V176-F239 HydrophobicContact CG1-CZ 4.21Å; V176-F239 HydrophobicContact CG2-CE1 3.98Å; V176-F239 HydrophobicContact CG2-CE2 4.45Å; V176-F239 HydrophobicContact CG2-CZ 3.48Å; V176-F239 VanDerWaalsContact CG2-CZ 3.48Å
177G97.7Very high96.5Very high0 Ų08.9 Ų8.90%05%0.048CC..Iπ-helixtrans-56.8-35.517900000113.6G172 L173 Y179 I180 I181G172-G177 PolarHBondContact O-N 3.19Å; G172-G177 VanDerWaalsContact O-N 3.08Å; L173-G177 CarbonylContact O-C 3.56Å; L173-G177 WeakPolarHBondContact O-CA 3.35Å; L173-G177 PolarHBondContact O-N 2.97Å; G177-Y179 PolarHBondContact O-N 3.12Å; G177-I180 PolarHBondContact O-N 3.15Å; G177-I180 VanDerWaalsContact O-N 3.17Å; G177-I181 WeakPolarHBondContact O-CB 3.42Å; G177-I181 WeakPolarHBondContact O-CD1 3.4Å; G177-I181 VanDerWaalsContact O-CG1 3.22Å; G177-I181 WeakPolarHBondContact O-CG1 3.36Å; G177-I181 PolarHBondContact O-N 3.15Å
178T97.2Very high96.8Very high7 Ų75.6 Ų5.64%0.0433%0.031CC..Hα-helixtrans-59.9-42.8173.850.10000113.1R94 L173 H174 V176 I180 D182 L344 V347R94-T178 PolarHBondContact NH1-OG1 3.45Å; L173-T178 PolarHBondContact O-N 2.85Å; H174-T178 WeakPolarHBondContact O-CB 3.27Å; H174-T178 VanDerWaalsContact O-CG2 3.26Å; H174-T178 WeakPolarHBondContact O-CG2 3.45Å; H174-T178 PolarHBondContact O-OG1 3.48Å; V176-T178 PolarHBondContact O-N 3.38Å; T178-I180 VanDerWaalsContact C-N 3.34Å; T178-D182 VanDerWaalsContact O-CB 3.24Å; T178-D182 WeakPolarHBondContact O-CB 3.37Å; T178-D182 PolarHBondContact O-N 3.13Å; T178-D182 VanDerWaalsContact O-N 3.07Å; T178-L344 HydrophobicContact CG2-CD2 3.93Å; T178-V347 HydrophobicContact CG2-CG2 3.76Å
179Y97.4Very high97.1Very high20 Ų208.3 Ų8.38%0.0786%0.06CC..Hα-helixtrans-64.4-39.2174.1-78.4-87.5000111.8R94 G119 N120 V121 L122 V176 G177 L183 Y302R94-Y179 VanDerWaalsContact NH1-CD2 3.27Å; G119-Y179 WeakPolarHBondContact O-CE1 3.37Å; G119-Y179 PolarHBondContact O-OH 2.99Å; G119-Y179 VanDerWaalsContact O-OH 3.06Å; N120-Y179 HydrophobicContact CB-CD1 4.42Å; N120-Y179 HydrophobicContact CB-CE1 4.41Å; V121-Y179 HydrophobicContact CG2-CE1 4.09Å; L122-Y179 HydrophobicContact CD1-CD1 4.36Å; L122-Y179 HydrophobicContact CG-CD1 4.17Å; V176-Y179 WeakPolarHBondContact O-CB 3.36Å; V176-Y179 PolarHBondContact O-N 3.13Å; G177-Y179 PolarHBondContact O-N 3.12Å; Y179-L183 WeakPolarHBondContact O-CB 3.16Å; Y179-L183 PolarHBondContact O-N 2.87Å; Y179-Y302 HydrophobicContact CD1-CD1 4.37Å; Y179-Y302 AromaticContact CD1-CE1 3.93Å; Y179-Y302 HydrophobicContact CD1-CE1 3.93Å; Y179-Y302 AromaticContact CD2-CE1 3.84Å; Y179-Y302 HydrophobicContact CD2-CE1 3.84Å; Y179-Y302 HydrophobicContact CE1-CD1 4.18Å; Y179-Y302 HydrophobicContact CE1-CE1 4.16Å; Y179-Y302 HydrophobicContact CE2-CD1 4.45Å; Y179-Y302 HydrophobicContact CE2-CE1 4.13Å; Y179-Y302 AromaticContact CG-CE1 3.77Å; Y179-Y302 HydrophobicContact CG-CE1 3.77Å
180I98.3Very high97.3Very high0 Ų010 Ų100%07%0.068CC..Hα-helixtrans-70.3-43.5-179.6-61.3-47.1000111.7L122 V148 V150 V176 G177 T178 D182 L183 L184 V235 L237L122-I180 HydrophobicContact CD1-CD1 4.45Å; V148-I180 HydrophobicContact CB-CG2 3.98Å; V148-I180 HydrophobicContact CG1-CD1 3.92Å; V148-I180 HydrophobicContact CG1-CG1 4.13Å; V148-I180 HydrophobicContact CG1-CG2 3.72Å; V148-I180 HydrophobicContact CG2-CG2 3.91Å; V150-I180 HydrophobicContact CG2-CD1 4.01Å; V150-I180 HydrophobicContact CG2-CG1 4.17Å; V176-I180 HydrophobicContact CG1-CG1 4.14Å; V176-I180 PolarHBondContact O-N 2.94Å; V176-I180 VanDerWaalsContact O-N 3.08Å; G177-I180 PolarHBondContact O-N 3.15Å; G177-I180 VanDerWaalsContact O-N 3.17Å; T178-I180 VanDerWaalsContact C-N 3.34Å; I180-D182 VanDerWaalsContact C-N 3.32Å; I180-D182 PolarHBondContact O-N 2.97Å; I180-L183 PolarHBondContact O-N 2.94Å; I180-L184 HydrophobicContact CG2-CD1 3.95Å; I180-L184 HydrophobicContact CG2-CG 4.32Å; I180-L184 WeakPolarHBondContact O-CB 3.31Å; I180-L184 VanDerWaalsContact O-CG 3.29Å; I180-L184 WeakPolarHBondContact O-CG 3.43Å; I180-L184 PolarHBondContact O-N 3.25Å; I180-V235 HydrophobicContact CG2-CG1 3.93Å; I180-V235 HydrophobicContact CG2-CG2 3.98Å; I180-L237 HydrophobicContact CG1-CD2 4.35Å
181I98.6Very high97.5Very high0 Ų014.1 Ų14.10%09%0.085CC..Hα-helixtrans-61.2-45176.6-68.4158.2000110.2G177 T185 F223 M225 Y342 A343 V346 V347 I350G177-I181 WeakPolarHBondContact O-CB 3.42Å; G177-I181 WeakPolarHBondContact O-CD1 3.4Å; G177-I181 VanDerWaalsContact O-CG1 3.22Å; G177-I181 WeakPolarHBondContact O-CG1 3.36Å; G177-I181 PolarHBondContact O-N 3.15Å; I181-T185 WeakPolarHBondContact O-CB 3.49Å; I181-T185 PolarHBondContact O-N 3.09Å; I181-T185 VanDerWaalsContact O-N 3.09Å; I181-T185 PolarHBondContact O-OG1 3.27Å; I181-F223 HydrophobicContact CD1-CZ 4.44Å; I181-F223 HydrophobicContact CG1-CE2 4.22Å; I181-F223 HydrophobicContact CG1-CZ 4.13Å; I181-M225 HydrophobicContact CG1-SD 4.13Å; I181-Y342 HydrophobicContact CG2-CD1 4.45Å; I181-Y342 HydrophobicContact CG2-CE1 3.73Å; I181-A343 HydrophobicContact CB-CB 4.49Å; I181-A343 HydrophobicContact CG2-CB 4.17Å; I181-V346 HydrophobicContact CD1-CB 4.1Å; I181-V346 HydrophobicContact CD1-CG1 3.69Å; I181-V346 HydrophobicContact CG1-CG1 4.12Å; I181-V346 HydrophobicContact CG2-CB 4.08Å; I181-V346 HydrophobicContact CG2-CG1 4.1Å; I181-V346 HydrophobicContact CG2-CG2 4.17Å; I181-V347 HydrophobicContact CD1-CG2 3.74Å; I181-I350 HydrophobicContact CD1-CD1 4.16Å
182D98.3Very high97.6Very high1 Ų114.3 Ų14.31%0.0059%0.087CC..Hα-helixtrans-60.1-47.8175.217972.9000112.2N120 R123 T178 I180 T185 F186N120-D182 WeakPolarHBondContact CB-OD2 3.42Å; N120-D182 VanDerWaalsContact ND2-CB 3.26Å; N120-D182 WeakPolarHBondContact ND2-CB 3.44Å; N120-D182 PolarHBondContact ND2-OD2 3.26Å; R123-D182 IonicContact CZ-OD1 2.71Å; R123-D182 VanDerWaalsContact CZ-OD1 3.29Å; R123-D182 IonicContact CZ-OD2 3.82Å; R123-D182 IonicContact NE-OD1 3.83Å; R123-D182 PolarHBondContact NE-OD1 3.15Å; R123-D182 IonicContact NE-OD2 2.84Å; R123-D182 PolarHBondContact NE-OD2 3.4Å; R123-D182 IonicContact NH2-OD1 3.69Å; R123-D182 PolarHBondContact NH2-OD1 2.93Å; R123-D182 IonicContact NH2-OD2 3.53Å; T178-D182 VanDerWaalsContact O-CB 3.24Å; T178-D182 WeakPolarHBondContact O-CB 3.37Å; T178-D182 PolarHBondContact O-N 3.13Å; T178-D182 VanDerWaalsContact O-N 3.07Å; I180-D182 VanDerWaalsContact C-N 3.32Å; I180-D182 PolarHBondContact O-N 2.97Å; D182-T185 PolarHBondContact O-N 3.09Å; D182-F186 WeakPolarHBondContact O-CB 3.48Å; D182-F186 PolarHBondContact O-N 3.3Å
183L98.4Very high97.7Very high1 Ų117.5 Ų17.51%0.00511%0.106CC..Hα-helixtrans-62.4-45.6179.6177.863.8000112L122 F128 Y179 I180 T185 F186 L187 V249L122-L183 HydrophobicContact CB-CD1 4.47Å; L122-L183 HydrophobicContact CD1-CD2 4.16Å; F128-L183 HydrophobicContact CB-CD1 3.92Å; F128-L183 HydrophobicContact CD1-CD1 3.85Å; F128-L183 HydrophobicContact CD1-CD2 4.04Å; F128-L183 HydrophobicContact CD1-CG 4.42Å; F128-L183 HydrophobicContact CD2-CD1 3.9Å; F128-L183 HydrophobicContact CD2-CD2 4.09Å; F128-L183 HydrophobicContact CE1-CD1 4.38Å; F128-L183 HydrophobicContact CE1-CD2 3.7Å; F128-L183 HydrophobicContact CE2-CD1 4.41Å; F128-L183 HydrophobicContact CE2-CD2 3.75Å; F128-L183 HydrophobicContact CG-CD1 3.61Å; F128-L183 HydrophobicContact CG-CD2 4.25Å; F128-L183 HydrophobicContact CZ-CD2 3.55Å; Y179-L183 WeakPolarHBondContact O-CB 3.16Å; Y179-L183 PolarHBondContact O-N 2.87Å; I180-L183 PolarHBondContact O-N 2.94Å; L183-T185 VanDerWaalsContact C-N 3.29Å; L183-T185 PolarHBondContact O-N 3.02Å; L183-F186 HydrophobicContact CD1-CD1 4.36Å; L183-F186 WeakPolarHBondContact O-CB 3.04Å; L183-F186 PolarHBondContact O-N 3.35Å; L183-L187 HydrophobicContact CD1-CD1 3.98Å; L183-L187 HydrophobicContact CD1-CD2 4.48Å; L183-L187 HydrophobicContact CD1-CG 3.99Å; L183-L187 HydrophobicContact CG-CD1 3.88Å; L183-L187 HydrophobicContact CG-CG 4.3Å; L183-L187 WeakPolarHBondContact O-CB 3.41Å; L183-L187 VanDerWaalsContact O-CG 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 2.78Å; L183-V249 HydrophobicContact CD2-CG2 4.05Å
184L98.6Very high97.7Very high2 Ų221.2 Ų21.21%0.0112%0.122CC..Hα-helixtrans-61.8-39.8177.9-72.2173000111.5C146 V148 I180 T188 M225 C233 V235C146-L184 HydrophobicContact CB-CD2 3.58Å; V148-L184 HydrophobicContact CG2-CD1 4.2Å; V148-L184 HydrophobicContact CG2-CD2 3.94Å; V148-L184 HydrophobicContact CG2-CG 4.31Å; I180-L184 HydrophobicContact CG2-CD1 3.95Å; I180-L184 HydrophobicContact CG2-CG 4.32Å; I180-L184 WeakPolarHBondContact O-CB 3.31Å; I180-L184 VanDerWaalsContact O-CG 3.29Å; I180-L184 WeakPolarHBondContact O-CG 3.43Å; I180-L184 PolarHBondContact O-N 3.25Å; L184-T188 WeakPolarHBondContact O-CB 3.17Å; L184-T188 WeakPolarHBondContact O-CG2 3.2Å; L184-T188 PolarHBondContact O-N 2.87Å; L184-T188 PolarHBondContact O-OG1 2.85Å; L184-M225 HydrophobicContact CB-CE 4.41Å; L184-M225 HydrophobicContact CD1-CE 3.45Å; L184-M225 VanDerWaalsContact CD1-CE 3.45Å; L184-C233 HydrophobicContact CD1-CB 4.04Å; L184-V235 HydrophobicContact CD1-CG2 4.01Å
185T98.1Very high97.8Very high13 Ų1321.1 Ų21.18%0.0812%0.122CC..Hα-helixtrans-65.7-42.2175.6-54.30000111I181 D182 L183 G189 K191 Y342I181-T185 WeakPolarHBondContact O-CB 3.49Å; I181-T185 PolarHBondContact O-N 3.09Å; I181-T185 VanDerWaalsContact O-N 3.09Å; I181-T185 PolarHBondContact O-OG1 3.27Å; D182-T185 PolarHBondContact O-N 3.09Å; L183-T185 VanDerWaalsContact C-N 3.29Å; L183-T185 PolarHBondContact O-N 3.02Å; T185-G189 VanDerWaalsContact O-CA 3.23Å; T185-G189 WeakPolarHBondContact O-CA 3.44Å; T185-G189 PolarHBondContact O-N 3.34Å; T185-K191 HydrophobicContact CG2-CG 4.11Å; T185-Y342 HydrophobicContact CG2-CE1 4.12Å; T185-Y342 WeakPolarHBondContact OG1-CE1 3.39Å; T185-Y342 PolarHBondContact OG1-OH 3.27Å
186F98.2Very high98Very high20 Ų2023.2 Ų23.29%0.08813%0.13CC..Hα-helixtrans-62.9-45.7176.7170.4-107.1000113.1R123 K132 D182 L183 M333R123-F186 HydrophobicContact CB-CD1 4.43Å; R123-F186 HydrophobicContact CB-CE1 4.34Å; R123-F186 HydrophobicContact CB-CZ 4.4Å; R123-F186 HydrophobicContact CG-CB 4.26Å; R123-F186 HydrophobicContact CG-CD1 4.08Å; R123-F186 HydrophobicContact CG-CD2 4.24Å; R123-F186 HydrophobicContact CG-CE1 4.48Å; R123-F186 HydrophobicContact CG-CG 3.93Å; K132-F186 HydrophobicContact CB-CE1 4.13Å; K132-F186 HydrophobicContact CB-CZ 4.41Å; K132-F186 HydrophobicContact CD-CD1 4.15Å; K132-F186 HydrophobicContact CD-CD2 3.96Å; K132-F186 HydrophobicContact CD-CE1 3.65Å; K132-F186 HydrophobicContact CD-CE2 3.42Å; K132-F186 VanDerWaalsContact CD-CE2 3.42Å; K132-F186 HydrophobicContact CD-CG 4.31Å; K132-F186 HydrophobicContact CD-CZ 3.27Å; K132-F186 HydrophobicContact CG-CZ 4.45Å; K132-F186 PolarHBondContact NZ-O 2.86Å; D182-F186 WeakPolarHBondContact O-CB 3.48Å; D182-F186 PolarHBondContact O-N 3.3Å; L183-F186 HydrophobicContact CD1-CD1 4.36Å; L183-F186 WeakPolarHBondContact O-CB 3.04Å; L183-F186 PolarHBondContact O-N 3.35Å; F186-M333 HydrophobicContact CE2-CB 3.81Å; F186-M333 HydrophobicContact CZ-CB 4.04Å
187L98.4Very high98.1Very high2 Ų223 Ų231%0.0113%0.129CC..Hα-helixtrans-68.5-42.9-178.2-70.2173.2000112.2F128 M131 K132 I135 L183 V249F128-L187 HydrophobicContact CB-CD2 4.42Å; F128-L187 HydrophobicContact CD1-CD1 4.21Å; F128-L187 HydrophobicContact CD1-CD2 4.39Å; M131-L187 HydrophobicContact CB-CD2 3.98Å; M131-L187 HydrophobicContact CG-CD2 3.95Å; M131-L187 HydrophobicContact SD-CD1 3.63Å; M131-L187 HydrophobicContact SD-CD2 3.94Å; M131-L187 HydrophobicContact SD-CG 4.41Å; K132-L187 HydrophobicContact CB-CD2 4.12Å; I135-L187 HydrophobicContact CD1-CB 4.24Å; L183-L187 HydrophobicContact CD1-CD1 3.98Å; L183-L187 HydrophobicContact CD1-CD2 4.48Å; L183-L187 HydrophobicContact CD1-CG 3.99Å; L183-L187 HydrophobicContact CG-CD1 3.88Å; L183-L187 HydrophobicContact CG-CG 4.3Å; L183-L187 WeakPolarHBondContact O-CB 3.41Å; L183-L187 VanDerWaalsContact O-CG 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 2.78Å; L187-V249 HydrophobicContact CD1-CG1 4.17Å
188T97.6Very high98.2Very high19 Ų1926.2 Ų26.212%0.11715%0.146CC..Hα-helixtrans-89.5-20.9-175.861.90000113.5L184 Q190 L227L184-T188 WeakPolarHBondContact O-CB 3.17Å; L184-T188 WeakPolarHBondContact O-CG2 3.2Å; L184-T188 PolarHBondContact O-N 2.87Å; L184-T188 PolarHBondContact O-OG1 2.85Å; T188-Q190 PolarHBondContact O-N 3.1Å; T188-Q190 PolarHBondContact OG1-N 3.06Å; T188-L227 HydrophobicContact CG2-CD1 3.98Å; T188-L227 WeakPolarHBondContact OG1-CD1 3.4Å
189G97.1Very high98.2Very high59 Ų5927.2 Ų27.261%0.60815%0.151SC*.SBendtrans69.211.1-169.700000114.1T185T185-G189 VanDerWaalsContact O-CA 3.23Å; T185-G189 WeakPolarHBondContact O-CA 3.44Å; T185-G189 PolarHBondContact O-N 3.34Å
190Q97.4Very high98.3Very high36 Ų3630.9 Ų30.917%0.16817%0.168CC..  trans-120.2143.6-172.5-62.9173.650.400111.7T188 L227T188-Q190 PolarHBondContact O-N 3.1Å; T188-Q190 PolarHBondContact OG1-N 3.06Å; Q190-L227 HydrophobicContact CB-CB 3.87Å; Q190-L227 HydrophobicContact CB-CD1 3.98Å
191K98Very high98.2Very high86 Ų8632.5 Ų32.537%0.37418%0.177SC..  trans-92.9155.3173.2-69.9-175.9177.8-178.20111.3T185 L227 E228 Y342T185-K191 HydrophobicContact CG2-CG 4.11Å; K191-L227 CarbonylContact O-C 3.5Å; K191-L227 VanDerWaalsContact O-CA 3.23Å; K191-L227 WeakPolarHBondContact O-CA 3.38Å; K191-E228 PolarHBondContact N-OE2 3.4Å; K191-E228 VanDerWaalsContact N-OE2 3.15Å; K191-E228 WeakPolarHBondContact O-CG 3.21Å; K191-E228 PolarHBondContact O-N 3.25Å; K191-Y342 HydrophobicContact CB-CE2 3.73Å; K191-Y342 HydrophobicContact CD-CD2 3.85Å; K191-Y342 HydrophobicContact CD-CE2 3.9Å; K191-Y342 HydrophobicContact CD-CG 4.44Å; K191-Y342 HydrophobicContact CG-CD2 4.19Å; K191-Y342 HydrophobicContact CG-CE2 3.77Å
192A98.5Very high98.1Very high7 Ų738.8 Ų38.86%0.05821%0.205CC..EExtended strand (participates in β ladder)trans-75135.7174.500000110.2M225 L227 Y342 I362A192-M225 HydrophobicContact CB-CB 4.04Å; A192-M225 HydrophobicContact CB-CG 4.45Å; A192-M225 HydrophobicContact CB-SD 4.05Å; A192-L227 HydrophobicContact CB-CD2 3.79Å; A192-Y342 PolarHBondContact N-OH 3.45Å; A192-I362 HydrophobicContact CB-CD1 3.2Å; A192-I362 WeakPolarHBondContact O-CD1 3.29Å
193V98.5Very high98Very high67 Ų6741 Ų4141%0.40622%0.219SC..EExtended strand (participates in β ladder)trans-95-41.4177.1-179.30000110.6V226 E228 N361 I362V193-V226 PolarHBondContact N-O 2.93Å; V193-E228 HydrophobicContact CG2-CB 4.24Å; V193-E228 HydrophobicContact CG2-CG 3.65Å; V193-N361 WeakPolarHBondContact O-CA 3.31Å; V193-I362 PolarHBondContact O-N 2.87Å
194K98.6Very high97.8Very high78 Ų7846.8 Ų46.834%0.33924%0.244SC..EExtended strand (participates in β ladder)trans-146153.4178.462.7178.4-177.1-178.40111.5M225 V226 W359 Q360K194-M225 WeakPolarHBondContact O-CA 3.45Å; K194-V226 HydrophobicContact CG-CB 3.98Å; K194-V226 HydrophobicContact CG-CG2 4.22Å; K194-V226 PolarHBondContact O-N 3.14Å; K194-W359 HydrophobicContact CB-CE3 4.2Å; K194-W359 HydrophobicContact CD-CD2 4.47Å; K194-W359 HydrophobicContact CD-CE3 3.89Å; K194-W359 HydrophobicContact CD-CZ3 4.45Å; K194-W359 HydrophobicContact CG-CE3 3.77Å; K194-W359 HydrophobicContact CG-CZ3 4.06Å; K194-Q360 CarbonylContact C-O 3.08Å; K194-Q360 WeakPolarHBondContact CA-O 3.36Å; K194-Q360 WeakPolarHBondContact CB-O 3.36Å
195V98.8Very high97.6Very high0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-130.7155.3178.6-59.60000111.9Q224 M225 V346 T349 I350 W359 Q360 I362V195-Q224 WeakPolarHBondContact CA-O 3.36Å; V195-Q224 WeakPolarHBondContact CB-O 3.43Å; V195-M225 HydrophobicContact CG1-CB 4.28Å; V195-M225 HydrophobicContact CG1-CG 3.77Å; V195-M225 HydrophobicContact CG1-SD 4.46Å; V195-V346 HydrophobicContact CG1-CG1 4.01Å; V195-T349 HydrophobicContact CG2-CG2 3.54Å; V195-I350 HydrophobicContact CB-CG1 3.87Å; V195-I350 HydrophobicContact CG1-CG1 4.06Å; V195-I350 HydrophobicContact CG2-CB 4.49Å; V195-I350 HydrophobicContact CG2-CG1 3.75Å; V195-W359 CarbonylContact O-C 3.59Å; V195-W359 WeakPolarHBondContact O-CA 3.47Å; V195-Q360 HydrophobicContact CG2-CB 4.45Å; V195-Q360 PolarHBondContact N-O 3.4Å; V195-Q360 PolarHBondContact O-N 3.04Å; V195-I362 HydrophobicContact CG1-CD1 3.7Å; V195-I362 HydrophobicContact CG1-CG1 4.14Å
196H98.8Very high97.2Very high59 Ų5952.2 Ų52.227%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-137.2135.8164174.7-95.7000109.1F223 Q224 S353 W359H196-F223 CarbonylContact O-C 3.54Å; H196-F223 VanDerWaalsContact O-CA 3.27Å; H196-F223 WeakPolarHBondContact O-CA 3.31Å; H196-Q224 PolarHBondContact N-O 3.42Å; H196-Q224 PolarHBondContact O-N 2.79Å; H196-S353 VanDerWaalsContact CA-OG 3.26Å; H196-S353 WeakPolarHBondContact CA-OG 3.46Å; H196-W359 HydrophobicContact CB-CD2 3.46Å; H196-W359 VanDerWaalsContact CB-CD2 3.46Å; H196-W359 VanDerWaalsContact CB-CE2 3.49Å; H196-W359 HydrophobicContact CB-CE3 3.71Å; H196-W359 HydrophobicContact CB-CG 3.92Å; H196-W359 HydrophobicContact CB-CH2 4.03Å; H196-W359 HydrophobicContact CB-CZ2 3.79Å; H196-W359 HydrophobicContact CB-CZ3 3.99Å
197G98.5Very high96.9Very high5 Ų557.8 Ų57.85%0.05230%0.302CS..EExtended strand (participates in β ladder)trans-159.6168.8-17800000115.3T222 S353 S354G197-T222 CarbonylContact C-O 3.57Å; G197-T222 VanDerWaalsContact CA-O 3.26Å; G197-T222 WeakPolarHBondContact CA-O 3.44Å; G197-S353 PolarHBondContact N-OG 3.05Å; G197-S353 VanDerWaalsContact N-OG 3.1Å; G197-S354 WeakPolarHBondContact O-CA 3.32Å; G197-S354 WeakPolarHBondContact O-CB 3.08Å; G197-S354 PolarHBondContact O-N 3.26Å
198L98.4Very high96.4Very high69 Ų6963.7 Ų63.736%0.36133%0.329SS..EExtended strand (participates in β ladder)trans-133.6130.5179.7178.268.9000108.9C221 T222L198-C221 WeakPolarHBondContact O-CA 3.47Å; L198-T222 HydrophobicContact CB-CG2 4.1Å; L198-T222 PolarHBondContact N-O 2.84Å; L198-T222 PolarHBondContact O-N 3.16Å
199L98.4Very high96Very high27 Ų2763 Ų6314%0.14133%0.325CS..EExtended strand (participates in β ladder)trans-117.3143.6172-72.282.4000110.2L173 D218 C221 I350 K351 S354L173-L199 HydrophobicContact CB-CD2 4.1Å; L173-L199 HydrophobicContact CD2-CD1 4.06Å; L173-L199 HydrophobicContact CD2-CD2 3.71Å; L173-L199 HydrophobicContact CD2-CG 4.28Å; L199-D218 HydrophobicContact CB-CB 4.2Å; L199-D218 HydrophobicContact CD2-CB 4.01Å; L199-D218 HydrophobicContact CG-CB 4.39Å; L199-C221 HydrophobicContact CG-CB 4.29Å; L199-I350 HydrophobicContact CD1-CG2 3.89Å; L199-K351 HydrophobicContact CD2-CG 4.14Å; L199-S354 PolarHBondContact N-OG 3.11Å
200K98Very high95.4Very high98 Ų9867.8 Ų67.843%0.42633%0.328SS..EExtended strand (participates in β ladder)trans-137.2143.1171.7-66.5-65.1178.7-168.40110.7F202 D218 D219 F220K200-F202 HydrophobicContact CB-CD2 4.04Å; K200-F202 HydrophobicContact CB-CE1 4.23Å; K200-F202 HydrophobicContact CB-CE2 3.6Å; K200-F202 HydrophobicContact CB-CZ 3.71Å; K200-F202 HydrophobicContact CG-CE1 4.37Å; K200-F202 HydrophobicContact CG-CE2 4.19Å; K200-F202 HydrophobicContact CG-CZ 3.84Å; K200-D218 WeakPolarHBondContact O-CA 3.3Å; K200-D218 WeakPolarHBondContact O-CB 3.49Å; K200-D219 PolarHBondContact O-N 2.64Å; K200-D219 VanDerWaalsContact O-OD1 3.12Å; K200-F220 HydrophobicContact CB-CB 4.42Å; K200-F220 HydrophobicContact CB-CD1 4.42Å; K200-F220 PolarHBondContact N-O 3.32Å; K200-F220 PolarHBondContact O-N 2.9Å
201T97.5Very high94.7Very high33 Ų3368.1 Ų68.120%0.20234%0.342CS..  trans-112.796.3164.6-540000106.7K204 I215 T216 S217T201-K204 HydrophobicContact CG2-CG 4.21Å; T201-I215 HydrophobicContact CG2-CG2 4.11Å; T201-T216 PolarHBondContact OG1-O 3.11Å; T201-S217 WeakPolarHBondContact CB-O 3.37Å; T201-S217 WeakPolarHBondContact CG2-O 3.49Å; T201-S217 VanDerWaalsContact OG1-C 3.3Å; T201-S217 PolarHBondContact OG1-O 3.23Å
202F96.5Very high93.9Very high133 Ų13372.3 Ų72.358%0.58337%0.366SS*.  trans-77.7-41.3176-66.3-68.5000110.7K200 K204 D219 F220K200-F202 HydrophobicContact CB-CD2 4.04Å; K200-F202 HydrophobicContact CB-CE1 4.23Å; K200-F202 HydrophobicContact CB-CE2 3.6Å; K200-F202 HydrophobicContact CB-CZ 3.71Å; K200-F202 HydrophobicContact CG-CE1 4.37Å; K200-F202 HydrophobicContact CG-CE2 4.19Å; K200-F202 HydrophobicContact CG-CZ 3.84Å; F202-K204 PolarHBondContact O-N 3.01Å; F202-D219 VanDerWaalsContact CD2-OD1 3.25Å; F202-D219 WeakPolarHBondContact CD2-OD1 3.19Å; F202-D219 PolarHBondContact N-OD1 3.02Å; F202-D219 PolarHBondContact N-OD2 2.85Å; F202-F220 HydrophobicContact CD2-CB 4Å; F202-F220 HydrophobicContact CE2-CB 3.64Å; F202-F220 HydrophobicContact CE2-CD1 4.16Å; F202-F220 HydrophobicContact CE2-CG 4.02Å
203V94.7Very high93.1Very high48 Ų4876.7 Ų76.729%0.29138%0.381SS..  trans-91.295.5179.4-174.90000110.1L156 Q205 T206 I215 D219L156-V203 HydrophobicContact CD1-CG1 4.15Å; V203-Q205 WeakPolarHBondContact CG1-O 3.39Å; V203-T206 HydrophobicContact CG1-CG2 3.82Å; V203-I215 HydrophobicContact CG1-CD1 4.43Å; V203-I215 WeakPolarHBondContact O-CB 3.28Å; V203-I215 WeakPolarHBondContact O-CG2 3.47Å; V203-D219 PolarHBondContact N-OD2 2.96Å
204K94.9Very high92.7Very high122 Ų12277.2 Ų77.253%0.5338%0.379SS..SBendtrans-89.4-21.2177.5-61.6-174.8178.5-179.90113.8T201 F202 Q214 I215T201-K204 HydrophobicContact CG2-CG 4.21Å; F202-K204 PolarHBondContact O-N 3.01Å; K204-Q214 PolarHBondContact O-OE1 3.47Å; K204-I215 PolarHBondContact O-N 2.99Å
205Q93.5Very high92.5Very high88 Ų8873.8 Ų73.841%0.41137%0.365SS..  trans-145157.5176.5-68.9-173.8-30.200109.6V203 I209 G211V203-Q205 WeakPolarHBondContact CG1-O 3.39Å; Q205-I209 CarbonylContact C-O 3.54Å; Q205-I209 VanDerWaalsContact CA-O 3.3Å; Q205-I209 WeakPolarHBondContact CA-O 3.42Å; Q205-I209 WeakPolarHBondContact CB-O 3.21Å; Q205-G211 PolarHBondContact NE2-O 3.33Å
206T91.7Very high92.3Very high40 Ų4076.9 Ų76.925%0.24538%0.384CS..  trans-129.7173.5171.574.30000109.7L156 V203 H208 I209 I215L156-T206 HydrophobicContact CD1-CG2 4.16Å; V203-T206 HydrophobicContact CG1-CG2 3.82Å; T206-H208 PolarHBondContact O-N 2.87Å; T206-H208 VanDerWaalsContact O-N 3.11Å; T206-H208 PolarHBondContact OG1-N 2.94Å; T206-I209 PolarHBondContact N-O 3.18Å; T206-I209 CarbonylContact O-C 3.33Å; T206-I209 PolarHBondContact O-N 2.93Å; T206-I209 VanDerWaalsContact O-O 3.07Å; T206-I209 WeakPolarHBondContact OG1-CB 3.29Å; T206-I209 PolarHBondContact OG1-N 2.74Å; T206-I215 HydrophobicContact CG2-CD1 4.05Å
207D90.5Very high92.3Very high138 Ų13874.3 Ų74.374%0.73837%0.372SS*.SBendtrans-56.6-29.7175.9-66.8-27.2000113.2K210D207-K210 PolarHBondContact O-NZ 2.94Å
208H89.2Confident92.2Very high125 Ų12574.4 Ų74.458%0.57937%0.371SS*.SBendtrans-99.6-24.6-180-51.8-53.3000113.6K158 T206K158-H208 WeakPolarHBondContact O-CB 3.02Å; T206-H208 PolarHBondContact O-N 2.87Å; T206-H208 VanDerWaalsContact O-N 3.11Å; T206-H208 PolarHBondContact OG1-N 2.94Å
209I88.7Confident92.2Very high6 Ų671.9 Ų71.93%0.03136%0.359CS..SBendtrans-112.289.1179.5-59.1176.2000108Y160 Q205 T206 I215Y160-I209 HydrophobicContact CD2-CG2 3.57Å; Y160-I209 HydrophobicContact CE2-CG2 4.45Å; Y160-I209 HydrophobicContact CG-CG2 4.32Å; Q205-I209 CarbonylContact C-O 3.54Å; Q205-I209 VanDerWaalsContact CA-O 3.3Å; Q205-I209 WeakPolarHBondContact CA-O 3.42Å; Q205-I209 WeakPolarHBondContact CB-O 3.21Å; T206-I209 PolarHBondContact N-O 3.18Å; T206-I209 CarbonylContact O-C 3.33Å; T206-I209 PolarHBondContact O-N 2.93Å; T206-I209 VanDerWaalsContact O-O 3.07Å; T206-I209 WeakPolarHBondContact OG1-CB 3.29Å; T206-I209 PolarHBondContact OG1-N 2.74Å; I209-I215 HydrophobicContact CB-CD1 4.4Å; I209-I215 HydrophobicContact CD1-CD1 4.48Å; I209-I215 HydrophobicContact CG2-CD1 4.03Å; I209-I215 HydrophobicContact CG2-CG1 4.07Å
210K84.3Confident92.2Very high158 Ų15872.8 Ų72.869%0.68736%0.361SS*.  trans-135.7158.7-178.159.5-171174.6-163.20111.3D207D207-K210 PolarHBondContact O-NZ 2.94Å
211G82.1Confident92.2Very high43 Ų4368.1 Ų68.144%0.44334%0.341SS..SBendtrans107.8-144.6178.700000112.9Q205 R213 Q214Q205-G211 PolarHBondContact NE2-O 3.33Å; G211-R213 PolarHBondContact O-N 3.27Å; G211-Q214 PolarHBondContact O-NE2 2.65Å
212I81.9Confident92.3Very high174 Ų17468.5 Ų68.589%0.89234%0.344SS*.SBendtrans-68.4-35.2-168.6-59.1172.4000111.9Q214I212-Q214 PolarHBondContact O-N 3.13Å
213R81.3Confident92.4Very high100 Ų10062.3 Ų62.338%0.37732%0.316SS..PPolyproline II helixtrans-82.4116.2179.1-66-168.9-171.5164.513.2110.1Y160 G211 L388Y160-R213 HydrophobicContact CD1-CB 4.26Å; Y160-R213 HydrophobicContact CD2-CB 4.44Å; Y160-R213 HydrophobicContact CE1-CB 4.04Å; Y160-R213 VanDerWaalsContact CE1-CD 3.5Å; Y160-R213 HydrophobicContact CE1-CG 4.31Å; Y160-R213 HydrophobicContact CE2-CB 4.19Å; Y160-R213 HydrophobicContact CG-CB 4.48Å; G211-R213 PolarHBondContact O-N 3.27Å; R213-L388 PolarHBondContact NH1-O 3.15Å
214Q89.8Confident92.6Very high78 Ų7863.9 Ų63.936%0.36432%0.321SS..PPolyproline II helixtrans-91.1146.3172.3-61.5-68.1-39.700109.7Y160 K204 G211 I212Y160-Q214 PolarHBondContact OH-O 2.87Å; Y160-Q214 VanDerWaalsContact OH-O 3.11Å; K204-Q214 PolarHBondContact O-OE1 3.47Å; G211-Q214 PolarHBondContact O-NE2 2.65Å; I212-Q214 PolarHBondContact O-N 3.13Å
215I95Very high92.7Very high6 Ų658.1 Ų58.13%0.03130%0.296CS..PPolyproline II helixtrans-69.7131.1165.7-63.9149.3000107.5L156 Y160 C164 T201 V203 K204 T206 I209 S217L156-I215 HydrophobicContact CD1-CD1 3.53Å; L156-I215 HydrophobicContact CD1-CG1 4.28Å; L156-I215 HydrophobicContact CD1-CG2 4.25Å; L156-I215 HydrophobicContact CD2-CG2 4.15Å; Y160-I215 HydrophobicContact CE2-CG1 4.33Å; C164-I215 HydrophobicContact CB-CG1 4.13Å; C164-I215 WeakPolarHBondContact O-CA 3.41Å; T201-I215 HydrophobicContact CG2-CG2 4.11Å; V203-I215 HydrophobicContact CG1-CD1 4.43Å; V203-I215 WeakPolarHBondContact O-CB 3.28Å; V203-I215 WeakPolarHBondContact O-CG2 3.47Å; K204-I215 PolarHBondContact O-N 2.99Å; T206-I215 HydrophobicContact CG2-CD1 4.05Å; I209-I215 HydrophobicContact CB-CD1 4.4Å; I209-I215 HydrophobicContact CD1-CD1 4.48Å; I209-I215 HydrophobicContact CG2-CD1 4.03Å; I209-I215 HydrophobicContact CG2-CG1 4.07Å; I215-S217 VanDerWaalsContact CG2-OG 3.28Å; I215-S217 WeakPolarHBondContact CG2-OG 3.46Å
216T95.6Very high93Very high65 Ų6555.5 Ų55.540%0.39929%0.285SS..  trans-121.4-17.4-178.255.60000112.8C164 D165 D166 T201C164-T216 PolarHBondContact O-N 2.98Å; D165-T216 WeakPolarHBondContact CA-OG1 3.47Å; D166-T216 PolarHBondContact N-OG1 2.76Å; T201-T216 PolarHBondContact OG1-O 3.11Å
217S96.8Very high93.3Very high5 Ų553.7 Ų53.74%0.03527%0.274CS..SBendtrans-61.3145.1171.4530000111.9S163 C164 G171 T201 I215S163-S217 VanDerWaalsContact O-CB 3.26Å; S163-S217 WeakPolarHBondContact O-CB 3.29Å; S163-S217 PolarHBondContact O-OG 3.45Å; S163-S217 VanDerWaalsContact O-OG 3.12Å; C164-S217 VanDerWaalsContact C-OG 3.29Å; C164-S217 WeakPolarHBondContact CA-OG 3.42Å; C164-S217 PolarHBondContact O-N 2.95Å; C164-S217 PolarHBondContact O-OG 3.12Å; G171-S217 VanDerWaalsContact CA-CB 3.49Å; G171-S217 VanDerWaalsContact N-CB 3.31Å; T201-S217 WeakPolarHBondContact CB-O 3.37Å; T201-S217 WeakPolarHBondContact CG2-O 3.49Å; T201-S217 VanDerWaalsContact OG1-C 3.3Å; T201-S217 PolarHBondContact OG1-O 3.23Å; I215-S217 VanDerWaalsContact CG2-OG 3.28Å; I215-S217 WeakPolarHBondContact CG2-OG 3.46Å
218D98Very high93.6Very high6 Ų653.2 Ų53.23%0.03227%0.267CS..  trans-72.1142175.765.3-68.5000112.4G171 G172 L173 L199 K200G171-D218 CarbonylContact C-O 3.22Å; G171-D218 WeakPolarHBondContact CA-O 3.21Å; G171-D218 WeakPolarHBondContact CA-OD1 3.11Å; G172-D218 WeakPolarHBondContact CA-OD2 3.34Å; G172-D218 PolarHBondContact N-O 2.99Å; G172-D218 PolarHBondContact N-OD1 3.33Å; G172-D218 PolarHBondContact N-OD2 3.22Å; L173-D218 PolarHBondContact N-OD1 3.26Å; L173-D218 PolarHBondContact N-OD2 2.93Å; L199-D218 HydrophobicContact CB-CB 4.2Å; L199-D218 HydrophobicContact CD2-CB 4.01Å; L199-D218 HydrophobicContact CG-CB 4.39Å; K200-D218 WeakPolarHBondContact O-CA 3.3Å; K200-D218 WeakPolarHBondContact O-CB 3.49Å
219D97.5Very high93.8Very high17 Ų1750.1 Ų50.19%0.09127%0.269CS..SBendtrans-109.6-9.7168.554.328.1000112K200 F202 V203 F239 N240K200-D219 PolarHBondContact O-N 2.64Å; K200-D219 VanDerWaalsContact O-OD1 3.12Å; F202-D219 VanDerWaalsContact CD2-OD1 3.25Å; F202-D219 WeakPolarHBondContact CD2-OD1 3.19Å; F202-D219 PolarHBondContact N-OD1 3.02Å; F202-D219 PolarHBondContact N-OD2 2.85Å; V203-D219 PolarHBondContact N-OD2 2.96Å; D219-F239 PolarHBondContact O-N 3.4Å; D219-N240 PolarHBondContact O-ND2 3.08Å; D219-N240 PolarHBondContact OD1-ND2 2.85Å
220F98.4Very high94.2Very high45 Ų4552 Ų5220%0.19729%0.291CS..EExtended strand (participates in β ladder)trans-139.6130.7172.7177.7-98.3000110.4K200 F202 T222 T236 L237 N238K200-F220 HydrophobicContact CB-CB 4.42Å; K200-F220 HydrophobicContact CB-CD1 4.42Å; K200-F220 PolarHBondContact N-O 3.32Å; K200-F220 PolarHBondContact O-N 2.9Å; F202-F220 HydrophobicContact CD2-CB 4Å; F202-F220 HydrophobicContact CE2-CB 3.64Å; F202-F220 HydrophobicContact CE2-CD1 4.16Å; F202-F220 HydrophobicContact CE2-CG 4.02Å; F220-T222 HydrophobicContact CE1-CG2 4.18Å; F220-T222 HydrophobicContact CZ-CG2 4.33Å; F220-T236 HydrophobicContact CE2-CG2 4.08Å; F220-L237 WeakPolarHBondContact CA-O 3.39Å; F220-N238 HydrophobicContact CD2-CB 3.97Å; F220-N238 HydrophobicContact CE2-CB 4.32Å
221C98.4Very high94.9Very high0 Ų044.7 Ų44.70%026%0.259CS..EExtended strand (participates in β ladder)trans-140.4136.8174.3-178.70000110.1L173 L198 L199 L237L173-C221 HydrophobicContact CB-CB 4.28Å; L198-C221 WeakPolarHBondContact O-CA 3.47Å; L199-C221 HydrophobicContact CG-CB 4.29Å; C221-L237 HydrophobicContact CB-CB 4.31Å; C221-L237 HydrophobicContact CB-CD1 4.42Å; C221-L237 PolarHBondContact N-O 2.87Å; C221-L237 PolarHBondContact O-N 2.78Å
222T98.6Very high95.7Very high42 Ų4245.5 Ų45.526%0.25826%0.257SS..EExtended strand (participates in β ladder)trans-131136.4164.6-177.80000109.2G197 L198 F220 V235G197-T222 CarbonylContact C-O 3.57Å; G197-T222 VanDerWaalsContact CA-O 3.26Å; G197-T222 WeakPolarHBondContact CA-O 3.44Å; L198-T222 HydrophobicContact CB-CG2 4.1Å; L198-T222 PolarHBondContact N-O 2.84Å; L198-T222 PolarHBondContact O-N 3.16Å; F220-T222 HydrophobicContact CE1-CG2 4.18Å; F220-T222 HydrophobicContact CZ-CG2 4.33Å; T222-V235 CarbonylContact C-O 3.5Å; T222-V235 VanDerWaalsContact CA-O 3.25Å; T222-V235 WeakPolarHBondContact CA-O 3.2Å; T222-V235 PolarHBondContact OG1-O 3.45Å
223F98.8Very high96.5Very high2 Ų237.2 Ų37.21%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-148.9156.6-18064.8-90000112.2L173 I181 H196 M225 V235 L237 I350L173-F223 HydrophobicContact CD1-CD1 4.02Å; L173-F223 HydrophobicContact CD1-CE1 3.78Å; L173-F223 HydrophobicContact CD1-CZ 4.47Å; I181-F223 HydrophobicContact CD1-CZ 4.44Å; I181-F223 HydrophobicContact CG1-CE2 4.22Å; I181-F223 HydrophobicContact CG1-CZ 4.13Å; H196-F223 CarbonylContact O-C 3.54Å; H196-F223 VanDerWaalsContact O-CA 3.27Å; H196-F223 WeakPolarHBondContact O-CA 3.31Å; F223-M225 HydrophobicContact CD2-CG 3.87Å; F223-M225 HydrophobicContact CD2-SD 4.34Å; F223-M225 HydrophobicContact CE2-CE 4.18Å; F223-M225 HydrophobicContact CE2-CG 3.97Å; F223-M225 HydrophobicContact CE2-SD 3.87Å; F223-V235 HydrophobicContact CD1-CB 3.99Å; F223-V235 HydrophobicContact CD1-CG1 4.26Å; F223-V235 HydrophobicContact CD2-CB 4.12Å; F223-V235 HydrophobicContact CD2-CG2 4.21Å; F223-V235 HydrophobicContact CE1-CB 3.57Å; F223-V235 HydrophobicContact CE1-CG1 3.48Å; F223-V235 VanDerWaalsContact CE1-CG1 3.48Å; F223-V235 HydrophobicContact CE1-CG2 4.25Å; F223-V235 HydrophobicContact CE2-CB 3.71Å; F223-V235 HydrophobicContact CE2-CG1 4.31Å; F223-V235 HydrophobicContact CE2-CG2 3.53Å; F223-V235 HydrophobicContact CG-CB 4.26Å; F223-V235 HydrophobicContact CZ-CB 3.42Å; F223-V235 VanDerWaalsContact CZ-CB 3.42Å; F223-V235 HydrophobicContact CZ-CG1 3.52Å; F223-V235 HydrophobicContact CZ-CG2 3.56Å; F223-V235 PolarHBondContact N-O 3.2Å; F223-V235 PolarHBondContact O-N 2.86Å; F223-L237 HydrophobicContact CE1-CD1 4.2Å; F223-L237 HydrophobicContact CE1-CG 4.49Å; F223-I350 HydrophobicContact CB-CD1 4.17Å; F223-I350 HydrophobicContact CB-CG1 4.35Å; F223-I350 HydrophobicContact CB-CG2 3.85Å; F223-I350 HydrophobicContact CD1-CD1 4.16Å; F223-I350 HydrophobicContact CD2-CD1 3.58Å; F223-I350 HydrophobicContact CD2-CG1 4.44Å; F223-I350 HydrophobicContact CE1-CD1 4.42Å; F223-I350 HydrophobicContact CE2-CD1 3.89Å; F223-I350 HydrophobicContact CG-CD1 3.72Å; F223-I350 HydrophobicContact CG-CG1 4.42Å; F223-I350 HydrophobicContact CG-CG2 4.35Å; F223-I350 HydrophobicContact CZ-CD1 4.29Å
224Q98.8Very high97.3Very high82 Ų8234.9 Ų34.938%0.38321%0.212SC..EExtended strand (participates in β ladder)trans-118.5146.6174.6-65.7175.6-11.200109.4V195 H196 C233 T234 W359V195-Q224 WeakPolarHBondContact CA-O 3.36Å; V195-Q224 WeakPolarHBondContact CB-O 3.43Å; H196-Q224 PolarHBondContact N-O 3.42Å; H196-Q224 PolarHBondContact O-N 2.79Å; Q224-C233 CarbonylContact C-O 3.54Å; Q224-C233 WeakPolarHBondContact CA-O 3.41Å; Q224-T234 HydrophobicContact CG-CG2 4.47Å; Q224-W359 HydrophobicContact CB-CH2 3.73Å; Q224-W359 HydrophobicContact CB-CZ2 4.36Å; Q224-W359 HydrophobicContact CB-CZ3 4.48Å
225M98.8Very high97.8Very high1 Ų131.2 Ų31.21%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-130.6144172.4-50.3-173.3-67.500109.3I181 L184 A192 K194 V195 F223 L227 C233 V346I181-M225 HydrophobicContact CG1-SD 4.13Å; L184-M225 HydrophobicContact CB-CE 4.41Å; L184-M225 HydrophobicContact CD1-CE 3.45Å; L184-M225 VanDerWaalsContact CD1-CE 3.45Å; A192-M225 HydrophobicContact CB-CB 4.04Å; A192-M225 HydrophobicContact CB-CG 4.45Å; A192-M225 HydrophobicContact CB-SD 4.05Å; K194-M225 WeakPolarHBondContact O-CA 3.45Å; V195-M225 HydrophobicContact CG1-CB 4.28Å; V195-M225 HydrophobicContact CG1-CG 3.77Å; V195-M225 HydrophobicContact CG1-SD 4.46Å; F223-M225 HydrophobicContact CD2-CG 3.87Å; F223-M225 HydrophobicContact CD2-SD 4.34Å; F223-M225 HydrophobicContact CE2-CE 4.18Å; F223-M225 HydrophobicContact CE2-CG 3.97Å; F223-M225 HydrophobicContact CE2-SD 3.87Å; M225-L227 HydrophobicContact CB-CD2 4.3Å; M225-C233 HydrophobicContact CB-CB 4.12Å; M225-C233 HydrophobicContact CE-CB 3.84Å; M225-C233 PolarHBondContact N-O 2.83Å; M225-C233 PolarHBondContact O-N 3.4Å; M225-V346 HydrophobicContact SD-CG1 3.98Å
226V98.8Very high97.9Very high32 Ų3232.5 Ų32.519%0.19420%0.203CC..EExtended strand (participates in β ladder)trans-110.1121165.1-179.10000107.4V193 K194 W359V193-V226 PolarHBondContact N-O 2.93Å; K194-V226 HydrophobicContact CG-CB 3.98Å; K194-V226 HydrophobicContact CG-CG2 4.22Å; K194-V226 PolarHBondContact O-N 3.14Å; V226-W359 HydrophobicContact CG2-CH2 4.08Å; V226-W359 HydrophobicContact CG2-CZ3 3.97Å
227L98.5Very high98.1Very high3 Ų329.4 Ų29.42%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-84165.2179.5-48.8-170.6000111.7T188 Q190 K191 A192 M225 G229 G230 V231T188-L227 HydrophobicContact CG2-CD1 3.98Å; T188-L227 WeakPolarHBondContact OG1-CD1 3.4Å; Q190-L227 HydrophobicContact CB-CB 3.87Å; Q190-L227 HydrophobicContact CB-CD1 3.98Å; K191-L227 CarbonylContact O-C 3.5Å; K191-L227 VanDerWaalsContact O-CA 3.23Å; K191-L227 WeakPolarHBondContact O-CA 3.38Å; A192-L227 HydrophobicContact CB-CD2 3.79Å; M225-L227 HydrophobicContact CB-CD2 4.3Å; L227-G229 VanDerWaalsContact C-N 3.26Å; L227-G229 PolarHBondContact O-N 3.06Å; L227-G230 PolarHBondContact O-N 2.81Å; L227-V231 HydrophobicContact CB-CB 4.16Å; L227-V231 HydrophobicContact CD1-CB 4.04Å; L227-V231 HydrophobicContact CD1-CG1 4.27Å; L227-V231 HydrophobicContact CG-CB 4.17Å; L227-V231 PolarHBondContact N-O 3.48Å
228E96.9Very high98.2Very high127 Ų12730.9 Ų30.959%0.59319%0.192SC*.THydrogen-bonded Turntrans-53.4-37.2-176.7-74.7161.8156.400113.9K191 V193 G230K191-E228 PolarHBondContact N-OE2 3.4Å; K191-E228 VanDerWaalsContact N-OE2 3.15Å; K191-E228 WeakPolarHBondContact O-CG 3.21Å; K191-E228 PolarHBondContact O-N 3.25Å; V193-E228 HydrophobicContact CG2-CB 4.24Å; V193-E228 HydrophobicContact CG2-CG 3.65Å; E228-G230 VanDerWaalsContact C-N 3.3Å; E228-G230 PolarHBondContact O-N 3.36Å
229G93.8Very high98.1Very high60 Ų6030.8 Ų30.862%0.61919%0.191SC*.THydrogen-bonded Turntrans-86.79.5176.300000114.6L227 V231L227-G229 VanDerWaalsContact C-N 3.26Å; L227-G229 PolarHBondContact O-N 3.06Å; G229-V231 VanDerWaalsContact C-N 3.34Å
230G97Very high98Very high47 Ų4733.3 Ų33.349%0.48520%0.204SC..SBendtrans842.6179.100000115L227 E228 C232L227-G230 PolarHBondContact O-N 2.81Å; E228-G230 VanDerWaalsContact C-N 3.3Å; E228-G230 PolarHBondContact O-N 3.36Å; G230-C232 PolarHBondContact O-N 3.44Å
231V98.4Very high97.8Very high3 Ų333.4 Ų33.42%0.01821%0.209CC..  trans-60.2129.9172.9-175.30000109.3P143 L227 G229P143-V231 HydrophobicContact CB-CG2 4.2Å; P143-V231 WeakPolarHBondContact O-CG2 3.5Å; L227-V231 HydrophobicContact CB-CB 4.16Å; L227-V231 HydrophobicContact CD1-CB 4.04Å; L227-V231 HydrophobicContact CD1-CG1 4.27Å; L227-V231 HydrophobicContact CG-CB 4.17Å; L227-V231 PolarHBondContact N-O 3.48Å; G229-V231 VanDerWaalsContact C-N 3.34Å
232C98.7Very high97.4Very high60 Ų6039.1 Ų39.141%0.40525%0.245SC..EExtended strand (participates in β ladder)trans-96.2127.9177.3-71.30000110.1L144 V145 C146 G230L144-C232 PolarHBondContact O-N 3.49Å; V145-C232 CarbonylContact C-O 3.51Å; V145-C232 VanDerWaalsContact CA-O 3.27Å; V145-C232 WeakPolarHBondContact CA-O 3.45Å; C146-C232 PolarHBondContact N-O 2.83Å; G230-C232 PolarHBondContact O-N 3.44Å
233C98.9Very high96.8Very high1 Ų140.1 Ų40.11%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-109.9136.9173-51.20000110.4C146 L184 Q224 M225C146-C233 HydrophobicContact CB-CB 4.34Å; C146-C233 CarbonylContact O-C 3.57Å; C146-C233 VanDerWaalsContact O-CA 3.24Å; C146-C233 WeakPolarHBondContact O-CA 3.33Å; L184-C233 HydrophobicContact CD1-CB 4.04Å; Q224-C233 CarbonylContact C-O 3.54Å; Q224-C233 WeakPolarHBondContact CA-O 3.41Å; M225-C233 HydrophobicContact CB-CB 4.12Å; M225-C233 HydrophobicContact CE-CB 3.84Å; M225-C233 PolarHBondContact N-O 2.83Å; M225-C233 PolarHBondContact O-N 3.4Å
234T98.7Very high96.1Very high50 Ų5047.9 Ų47.931%0.30730%0.301SS..EExtended strand (participates in β ladder)trans-123.6128.5167.7-60.30000109.4C146 E147 V148 Q224C146-T234 PolarHBondContact O-N 2.98Å; E147-T234 WeakPolarHBondContact CA-O 3.49Å; V148-T234 PolarHBondContact N-O 2.8Å; Q224-T234 HydrophobicContact CG-CG2 4.47Å
235V98.9Very high95.8Very high1 Ų146.6 Ų46.61%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-128134.3-176.7-176.20000109.9V148 I180 L184 T222 F223 L237V148-V235 HydrophobicContact CB-CB 4.47Å; V148-V235 HydrophobicContact CB-CG1 4.16Å; V148-V235 HydrophobicContact CB-CG2 4.1Å; V148-V235 HydrophobicContact CG1-CG1 4.39Å; V148-V235 HydrophobicContact CG2-CG2 4.4Å; V148-V235 CarbonylContact O-C 2.98Å; V148-V235 WeakPolarHBondContact O-CA 3.21Å; I180-V235 HydrophobicContact CG2-CG1 3.93Å; I180-V235 HydrophobicContact CG2-CG2 3.98Å; L184-V235 HydrophobicContact CD1-CG2 4.01Å; T222-V235 CarbonylContact C-O 3.5Å; T222-V235 VanDerWaalsContact CA-O 3.25Å; T222-V235 WeakPolarHBondContact CA-O 3.2Å; T222-V235 PolarHBondContact OG1-O 3.45Å; F223-V235 HydrophobicContact CD1-CB 3.99Å; F223-V235 HydrophobicContact CD1-CG1 4.26Å; F223-V235 HydrophobicContact CD2-CB 4.12Å; F223-V235 HydrophobicContact CD2-CG2 4.21Å; F223-V235 HydrophobicContact CE1-CB 3.57Å; F223-V235 HydrophobicContact CE1-CG1 3.48Å; F223-V235 VanDerWaalsContact CE1-CG1 3.48Å; F223-V235 HydrophobicContact CE1-CG2 4.25Å; F223-V235 HydrophobicContact CE2-CB 3.71Å; F223-V235 HydrophobicContact CE2-CG1 4.31Å; F223-V235 HydrophobicContact CE2-CG2 3.53Å; F223-V235 HydrophobicContact CG-CB 4.26Å; F223-V235 HydrophobicContact CZ-CB 3.42Å; F223-V235 VanDerWaalsContact CZ-CB 3.42Å; F223-V235 HydrophobicContact CZ-CG1 3.52Å; F223-V235 HydrophobicContact CZ-CG2 3.56Å; F223-V235 PolarHBondContact N-O 3.2Å; F223-V235 PolarHBondContact O-N 2.86Å; V235-L237 HydrophobicContact CG1-CD2 3.77Å; V235-L237 HydrophobicContact CG1-CG 4.08Å
236T98.7Very high95.6Very high34 Ų3452.7 Ų52.721%0.20932%0.32CS..EExtended strand (participates in β ladder)trans-124.4125.6170-62.90000109.6V148 V150 F220V148-T236 PolarHBondContact O-N 2.93Å; V150-T236 PolarHBondContact N-O 3.32Å; F220-T236 HydrophobicContact CE2-CG2 4.08Å
237L98.6Very high95.5Very high0 Ų051.2 Ų51.20%031%0.312CS..EExtended strand (participates in β ladder)trans-117.1115.6175.2-49.3178.9000107.7V150 G172 V176 I180 F220 C221 F223 V235 F239V150-L237 HydrophobicContact CB-CD2 3.8Å; V150-L237 HydrophobicContact CG2-CD2 3.87Å; V150-L237 CarbonylContact O-C 3.57Å; V150-L237 WeakPolarHBondContact O-CA 3.39Å; G172-L237 WeakPolarHBondContact O-CD1 3.47Å; V176-L237 HydrophobicContact CG1-CD2 3.95Å; I180-L237 HydrophobicContact CG1-CD2 4.35Å; F220-L237 WeakPolarHBondContact CA-O 3.39Å; C221-L237 HydrophobicContact CB-CB 4.31Å; C221-L237 HydrophobicContact CB-CD1 4.42Å; C221-L237 PolarHBondContact N-O 2.87Å; C221-L237 PolarHBondContact O-N 2.78Å; F223-L237 HydrophobicContact CE1-CD1 4.2Å; F223-L237 HydrophobicContact CE1-CG 4.49Å; V235-L237 HydrophobicContact CG1-CD2 3.77Å; V235-L237 HydrophobicContact CG1-CG 4.08Å; L237-F239 HydrophobicContact CB-CE2 3.84Å; L237-F239 HydrophobicContact CB-CZ 4.35Å
238N98.1Very high95.5Very high36 Ų3653.6 Ų53.619%0.19332%0.324CS..EExtended strand (participates in β ladder)trans-132106.6-177.2-172.5-1.4000111.4V150 H151 G152 F220 N240 V241V150-N238 PolarHBondContact O-N 3.46Å; H151-N238 CarbonylContact C-O 3.59Å; H151-N238 VanDerWaalsContact CA-O 3.32Å; H151-N238 WeakPolarHBondContact CA-O 3.26Å; G152-N238 PolarHBondContact N-O 3.37Å; F220-N238 HydrophobicContact CD2-CB 3.97Å; F220-N238 HydrophobicContact CE2-CB 4.32Å; N238-N240 VanDerWaalsContact C-N 3.34Å; N238-N240 WeakPolarHBondContact OD1-CB 3.44Å; N238-N240 PolarHBondContact OD1-N 3.3Å; N238-N240 PolarHBondContact OD1-ND2 2.87Å; N238-V241 HydrophobicContact CB-CG2 4.24Å; N238-V241 WeakPolarHBondContact ND2-CG2 3.32Å
239F97.1Very high95.6Very high4 Ų447.5 Ų47.52%0.01830%0.296CS..THydrogen-bonded Turntrans-99.420.9-179.5-58.5-72000113G152 G153 S154 L155 V176 D219 L237 F245G152-F239 CarbonylContact O-C 3.5Å; G152-F239 WeakPolarHBondContact O-CA 3.47Å; G153-F239 CarbonylContact C-O 3.6Å; S154-F239 WeakPolarHBondContact CA-O 3.25Å; S154-F239 PolarHBondContact N-O 2.74Å; L155-F239 HydrophobicContact CD1-CB 4.38Å; L155-F239 HydrophobicContact CD1-CD1 3.85Å; L155-F239 HydrophobicContact CD1-CD2 3.63Å; L155-F239 HydrophobicContact CD1-CE1 4.05Å; L155-F239 HydrophobicContact CD1-CE2 3.85Å; L155-F239 HydrophobicContact CD1-CG 3.64Å; L155-F239 HydrophobicContact CD1-CZ 4.06Å; L155-F239 HydrophobicContact CD2-CD1 3.59Å; L155-F239 HydrophobicContact CD2-CE1 3.85Å; L155-F239 HydrophobicContact CD2-CG 4.14Å; L155-F239 HydrophobicContact CG-CB 4.01Å; L155-F239 HydrophobicContact CG-CD1 3.61Å; L155-F239 HydrophobicContact CG-CD2 4.14Å; L155-F239 HydrophobicContact CG-CE1 4.15Å; L155-F239 HydrophobicContact CG-CG 3.61Å; V176-F239 HydrophobicContact CB-CZ 3.78Å; V176-F239 HydrophobicContact CG1-CZ 4.21Å; V176-F239 HydrophobicContact CG2-CE1 3.98Å; V176-F239 HydrophobicContact CG2-CE2 4.45Å; V176-F239 HydrophobicContact CG2-CZ 3.48Å; V176-F239 VanDerWaalsContact CG2-CZ 3.48Å; D219-F239 PolarHBondContact O-N 3.4Å; L237-F239 HydrophobicContact CB-CE2 3.84Å; L237-F239 HydrophobicContact CB-CZ 4.35Å; F239-F245 HydrophobicContact CE1-CE2 4.38Å
240N95.2Very high95.8Very high69 Ų6945.8 Ų45.837%0.36927%0.273SS..THydrogen-bonded Turntrans-105.86.3175.1-58.7-81.4000112.3G152 D219 N238 P242G152-N240 PolarHBondContact O-N 2.9Å; D219-N240 PolarHBondContact O-ND2 3.08Å; D219-N240 PolarHBondContact OD1-ND2 2.85Å; N238-N240 VanDerWaalsContact C-N 3.34Å; N238-N240 WeakPolarHBondContact OD1-CB 3.44Å; N238-N240 PolarHBondContact OD1-N 3.3Å; N238-N240 PolarHBondContact OD1-ND2 2.87Å; N240-P242 WeakPolarHBondContact O-CD 3.41Å
241V94.3Very high95.9Very high48 Ų4843.5 Ų43.529%0.29125%0.25SS..  trans-92.1113.8-176.2-177.90000109.3H151 G152 G153 N238H151-V241 HydrophobicContact CB-CB 4.21Å; H151-V241 HydrophobicContact CB-CG1 4.46Å; H151-V241 HydrophobicContact CB-CG2 4.07Å; G152-V241 CarbonylContact C-O 3.58Å; G152-V241 PolarHBondContact O-N 2.82Å; G153-V241 WeakPolarHBondContact CA-O 3.49Å; G153-V241 PolarHBondContact N-O 3.03Å; G153-V241 VanDerWaalsContact N-O 3.12Å; N238-V241 HydrophobicContact CB-CG2 4.24Å; N238-V241 WeakPolarHBondContact ND2-CG2 3.32Å
242P89.2Confident95.9Very high119 Ų11945.9 Ų45.977%0.77327%0.265SS*.  trans-68.1149.1177.329.3-34.2000111.1N240N240-P242 WeakPolarHBondContact O-CD 3.41Å
243G85.8Confident95.9Very high64 Ų6443.3 Ų43.366%0.6625%0.248SC*.SBendtrans106.2-152.917700000112.8
244E84.3Confident95.9Very high165 Ų16546.5 Ų46.577%0.77127%0.27SS*.SBendtrans-71.9145.9-174.8-64.4-177.1161.300112.2K246E244-K246 PolarHBondContact O-N 2.86Å
245F93.3Very high95.8Very high54 Ų5445.9 Ų45.924%0.23727%0.27CS..  trans-65.2130.5170.6-178.8-83.5000110.3V150 H151 F239 Q247 P299 Y302V150-F245 HydrophobicContact CG1-CD2 4.47Å; V150-F245 HydrophobicContact CG1-CE1 4.09Å; V150-F245 HydrophobicContact CG1-CE2 3.49Å; V150-F245 VanDerWaalsContact CG1-CE2 3.49Å; V150-F245 HydrophobicContact CG1-CZ 3.26Å; H151-F245 CarbonylContact O-C 3.58Å; H151-F245 WeakPolarHBondContact O-CA 3.37Å; F239-F245 HydrophobicContact CE1-CE2 4.38Å; F245-Q247 HydrophobicContact CD1-CB 4.49Å; F245-Q247 HydrophobicContact CE1-CB 3.68Å; F245-Q247 HydrophobicContact CZ-CB 4.35Å; F245-P299 HydrophobicContact CB-CB 3.93Å; F245-P299 HydrophobicContact CB-CG 4.06Å; F245-P299 HydrophobicContact CD1-CB 3.32Å; F245-P299 HydrophobicContact CD1-CG 3.86Å; F245-P299 HydrophobicContact CD2-CB 3.98Å; F245-P299 HydrophobicContact CD2-CG 3.52Å; F245-P299 HydrophobicContact CE1-CB 3.64Å; F245-P299 HydrophobicContact CE1-CG 4.06Å; F245-P299 HydrophobicContact CE2-CB 4.27Å; F245-P299 HydrophobicContact CE2-CG 3.76Å; F245-P299 HydrophobicContact CG-CB 3.48Å; F245-P299 VanDerWaalsContact CG-CB 3.48Å; F245-P299 HydrophobicContact CG-CG 3.55Å; F245-P299 HydrophobicContact CZ-CB 4.1Å; F245-P299 HydrophobicContact CZ-CG 4.02Å; F245-Y302 AromaticContact CE1-CE2 3.9Å; F245-Y302 HydrophobicContact CE1-CE2 3.9Å; F245-Y302 AromaticContact CZ-CE2 3.68Å; F245-Y302 HydrophobicContact CZ-CE2 3.68Å
246K95Very high95.8Very high129 Ų12945.9 Ų45.956%0.56127%0.27SS*.EExtended strand (participates in β ladder)trans-124.4137.9175.6-65.8-171.9177.7-174.20110.1V150 H151 E244V150-K246 CarbonylContact C-O 3.55Å; V150-K246 WeakPolarHBondContact CA-O 3.03Å; H151-K246 PolarHBondContact N-O 3.19Å; H151-K246 PolarHBondContact O-N 3.19Å; E244-K246 PolarHBondContact O-N 2.86Å
247Q97Very high95.8Very high2 Ų247.7 Ų47.71%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-139.5115.9176170.2179.7-6200108.5Q149 V150 F245 V249 G262 Y302Q149-Q247 WeakPolarHBondContact O-CA 3.39Å; V150-Q247 HydrophobicContact CG2-CB 4.33Å; V150-Q247 HydrophobicContact CG2-CG 4.05Å; F245-Q247 HydrophobicContact CD1-CB 4.49Å; F245-Q247 HydrophobicContact CE1-CB 3.68Å; F245-Q247 HydrophobicContact CZ-CB 4.35Å; Q247-V249 HydrophobicContact CG-CG2 4.42Å; Q247-G262 PolarHBondContact O-N 3.05Å; Q247-Y302 PolarHBondContact OE1-OH 2.97Å
248D97.8Very high95.8Very high52 Ų5247.7 Ų47.728%0.27827%0.273SS..EExtended strand (participates in β ladder)trans-119.6133.3177.7-61.5-15.4000109V148 Q149 L259 A260 V261V148-D248 WeakPolarHBondContact CA-O 3.31Å; Q149-D248 PolarHBondContact N-O 2.89Å; Q149-D248 PolarHBondContact O-N 3Å; D248-L259 HydrophobicContact CB-CD1 4.47Å; D248-A260 CarbonylContact C-O 3.18Å; D248-A260 VanDerWaalsContact CA-O 3.28Å; D248-A260 WeakPolarHBondContact CA-O 3.04Å; D248-V261 WeakPolarHBondContact OD1-CG1 3.47Å
249V98.7Very high95.8Very high0 Ų047.1 Ų47.10%027%0.27CS..EExtended strand (participates in β ladder)trans-129.9115.9179.2177.70000108.3F128 M131 V148 L183 L187 Q247 L259 A260F128-V249 HydrophobicContact CE1-CB 3.85Å; F128-V249 HydrophobicContact CE1-CG1 4.08Å; F128-V249 HydrophobicContact CE1-CG2 3.92Å; F128-V249 HydrophobicContact CZ-CB 4.19Å; F128-V249 HydrophobicContact CZ-CG2 3.8Å; M131-V249 HydrophobicContact SD-CG1 4.48Å; V148-V249 HydrophobicContact CG1-CG2 4.04Å; V148-V249 HydrophobicContact CG2-CB 4.49Å; V148-V249 HydrophobicContact CG2-CG1 4.15Å; V148-V249 HydrophobicContact CG2-CG2 4.17Å; L183-V249 HydrophobicContact CD2-CG2 4.05Å; L187-V249 HydrophobicContact CD1-CG1 4.17Å; Q247-V249 HydrophobicContact CG-CG2 4.42Å; V249-L259 CarbonylContact O-C 3.58Å; V249-L259 WeakPolarHBondContact O-CA 3.3Å; V249-A260 HydrophobicContact CB-CB 4.4Å; V249-A260 PolarHBondContact N-O 2.86Å; V249-A260 PolarHBondContact O-N 2.84Å
250T98.7Very high95.9Very high23 Ų2347 Ų4714%0.14127%0.27CS..EExtended strand (participates in β ladder)trans-112.4135.6178.9-51.40000110C146 E147 V252 L258 L259C146-T250 CarbonylContact C-O 3.53Å; C146-T250 VanDerWaalsContact CA-O 3.26Å; C146-T250 WeakPolarHBondContact CA-O 3.46Å; E147-T250 PolarHBondContact N-O 3.22Å; E147-T250 PolarHBondContact O-N 2.9Å; T250-V252 HydrophobicContact CG2-CG2 3.88Å; T250-L258 CarbonylContact C-O 3.53Å; T250-L258 WeakPolarHBondContact CA-O 3.29Å; T250-L259 VanDerWaalsContact OG1-CD1 3.29Å; T250-L259 WeakPolarHBondContact OG1-CD1 3.47Å
251V98.8Very high96Very high0 Ų046.5 Ų46.50%027%0.269CS..EExtended strand (participates in β ladder)trans-119.9118.7167.5-178.10000107.8M131 I135 P143 R257 L258M131-V251 HydrophobicContact SD-CG2 3.97Å; I135-V251 HydrophobicContact CD1-CB 4.43Å; I135-V251 HydrophobicContact CD1-CG1 4.11Å; I135-V251 HydrophobicContact CD1-CG2 4.19Å; I135-V251 HydrophobicContact CG1-CG1 4.49Å; P143-V251 HydrophobicContact CB-CG1 4.45Å; V251-R257 CarbonylContact O-C 3.54Å; V251-R257 WeakPolarHBondContact O-CA 3.24Å; V251-L258 PolarHBondContact N-O 2.64Å; V251-L258 PolarHBondContact O-N 2.9Å
252V98.6Very high95.9Very high53 Ų5345.2 Ų45.232%0.32127%0.265SS..EExtended strand (participates in β ladder)trans-108.6130.6175.8-175.10000108.4L144 V145 T250 R257L144-V252 PolarHBondContact N-O 3.19Å; V145-V252 HydrophobicContact CB-CB 4.48Å; V145-V252 PolarHBondContact N-O 3.02Å; V145-V252 PolarHBondContact O-N 3.21Å; T250-V252 HydrophobicContact CG2-CG2 3.88Å; V252-R257 HydrophobicContact CG2-CB 4.13Å
253G98.4Very high96.1Very high5 Ų540.4 Ų40.45%0.05223%0.234CC..EExtended strand (participates in β ladder)trans-129.1-174.5173.500000112.5V140 E142 A255 G256V140-G253 CarbonylContact O-C 3.58Å; V140-G253 WeakPolarHBondContact O-CA 2.99Å; E142-G253 CarbonylContact O-C 3.44Å; E142-G253 WeakPolarHBondContact O-CA 3.46Å; G253-A255 PolarHBondContact O-N 3.04Å; G253-G256 PolarHBondContact N-O 3Å
254S98.1Very high96.6Very high68 Ų6838.9 Ų38.948%0.47621%0.21SC..SBendtrans-65.7-20.4-176.360.40000115V140 E142 N270V140-S254 PolarHBondContact O-N 2.84Å; E142-S254 PolarHBondContact N-OG 3.08Å; E142-S254 PolarHBondContact O-N 3.01Å; S254-N270 PolarHBondContact O-ND2 2.65Å
255A98.2Very high97.3Very high37 Ų3731 Ų3131%0.30617%0.174SC..SBendtrans-115.4-7.3-176.400000114.7V140 G253 N270V140-A255 PolarHBondContact O-N 3.46Å; G253-A255 PolarHBondContact O-N 3.04Å; A255-N270 PolarHBondContact O-N 3.36Å
256G98.3Very high97.6Very high1 Ų131.2 Ų31.21%0.0117%0.173CC..EExtended strand (participates in β ladder)trans168.3-165.6-179.100000113.5G253 Q268 N270G253-G256 PolarHBondContact N-O 3Å; G256-Q268 CarbonylContact C-O 3.41Å; G256-Q268 VanDerWaalsContact CA-O 3.22Å; G256-Q268 WeakPolarHBondContact CA-O 3.03Å; G256-N270 WeakPolarHBondContact CA-OD1 3.44Å
257R98.5Very high97.7Very high72 Ų7225.1 Ų25.127%0.27215%0.147SC..EExtended strand (participates in β ladder)trans-137.1153.6176.467.7-179.9-176.7105.97.1112.7V251 V252 G267 Q268V251-R257 CarbonylContact O-C 3.54Å; V251-R257 WeakPolarHBondContact O-CA 3.24Å; V252-R257 HydrophobicContact CG2-CB 4.13Å; R257-G267 WeakPolarHBondContact O-CA 3.39Å; R257-Q268 HydrophobicContact CG-CB 4.09Å; R257-Q268 PolarHBondContact N-O 3.38Å; R257-Q268 PolarHBondContact O-N 3.24Å
258L98.9Very high97.8Very high0 Ų027.2 Ų27.20%016%0.157CC..EExtended strand (participates in β ladder)trans-120138.9166.5-66.5165.8000108.6M131 L134 I135 Y139 V140 T250 V251 L265 Y266 L278M131-L258 HydrophobicContact CE-CB 4.06Å; M131-L258 HydrophobicContact CG-CB 4.16Å; M131-L258 HydrophobicContact CG-CD1 3.9Å; L134-L258 HydrophobicContact CB-CD1 3.72Å; L134-L258 HydrophobicContact CB-CD2 4.41Å; L134-L258 HydrophobicContact CD1-CD1 4.42Å; L134-L258 HydrophobicContact CD1-CD2 3.78Å; I135-L258 HydrophobicContact CG1-CD1 3.95Å; Y139-L258 HydrophobicContact CD1-CD2 3.8Å; Y139-L258 HydrophobicContact CD1-CG 4.08Å; Y139-L258 HydrophobicContact CE1-CD2 3.84Å; Y139-L258 HydrophobicContact CE1-CG 4.42Å; Y139-L258 HydrophobicContact CG-CD2 4.45Å; V140-L258 HydrophobicContact CG1-CB 4.45Å; V140-L258 HydrophobicContact CG1-CD1 3.89Å; V140-L258 HydrophobicContact CG1-CG 3.74Å; T250-L258 CarbonylContact C-O 3.53Å; T250-L258 WeakPolarHBondContact CA-O 3.29Å; V251-L258 PolarHBondContact N-O 2.64Å; V251-L258 PolarHBondContact O-N 2.9Å; L258-L265 HydrophobicContact CB-CD1 4.44Å; L258-Y266 WeakPolarHBondContact CA-O 3.32Å; L258-L278 HydrophobicContact CD2-CD1 3.68Å
259L98.7Very high97.8Very high24 Ų2430.1 Ų30.113%0.12616%0.164CC..EExtended strand (participates in β ladder)trans-133.5116.7-179.1166.864000108.8D248 V249 T250 V261 Y266D248-L259 HydrophobicContact CB-CD1 4.47Å; V249-L259 CarbonylContact O-C 3.58Å; V249-L259 WeakPolarHBondContact O-CA 3.3Å; T250-L259 VanDerWaalsContact OG1-CD1 3.29Å; T250-L259 WeakPolarHBondContact OG1-CD1 3.47Å; L259-V261 HydrophobicContact CD1-CG2 3.95Å; L259-V261 HydrophobicContact CD2-CG2 3.87Å; L259-V261 HydrophobicContact CG-CG2 3.73Å; L259-Y266 PolarHBondContact N-O 3.42Å; L259-Y266 PolarHBondContact O-N 3.1Å
260A98.3Very high97.7Very high1 Ų135.6 Ų35.61%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-93.6126.3165.800000109.5F128 M131 D248 V249 D264 L265F128-A260 HydrophobicContact CD1-CB 4.35Å; F128-A260 HydrophobicContact CE1-CB 3.56Å; F128-A260 HydrophobicContact CZ-CB 3.96Å; M131-A260 HydrophobicContact CE-CB 3.69Å; D248-A260 CarbonylContact C-O 3.18Å; D248-A260 VanDerWaalsContact CA-O 3.28Å; D248-A260 WeakPolarHBondContact CA-O 3.04Å; V249-A260 HydrophobicContact CB-CB 4.4Å; V249-A260 PolarHBondContact N-O 2.86Å; V249-A260 PolarHBondContact O-N 2.84Å; A260-D264 CarbonylContact C-O 3.46Å; A260-D264 WeakPolarHBondContact CA-O 3.44Å; A260-L265 HydrophobicContact CB-CD1 4.42Å
261V96.5Very high97.5Very high60 Ų6039.8 Ų39.836%0.36422%0.223SC..EExtended strand (participates in β ladder)trans-116.5106.5174.1-179.90000107.6D248 L259 T263 D264 Y266D248-V261 WeakPolarHBondContact OD1-CG1 3.47Å; L259-V261 HydrophobicContact CD1-CG2 3.95Å; L259-V261 HydrophobicContact CD2-CG2 3.87Å; L259-V261 HydrophobicContact CG-CG2 3.73Å; V261-T263 PolarHBondContact O-N 3.18Å; V261-D264 PolarHBondContact N-O 3.39Å; V261-D264 PolarHBondContact O-N 3.4Å; V261-D264 VanDerWaalsContact O-N 3.14Å; V261-Y266 HydrophobicContact CB-CE2 4.16Å; V261-Y266 HydrophobicContact CG2-CD2 4.24Å; V261-Y266 HydrophobicContact CG2-CE2 4.14Å
262G93.1Very high97.3Very high20 Ų2041.3 Ų41.321%0.20624%0.236CC..THydrogen-bonded Turntrans61.6-100.7-171.700000111.8Q247Q247-G262 PolarHBondContact O-N 3.05Å
263T94.2Very high97.1Very high18 Ų1845 Ų4511%0.1126%0.261CS..THydrogen-bonded Turntrans-113.2-6.3-177.355.50000113.7A127 V261 D281 P301A127-T263 VanDerWaalsContact CB-O 3.31Å; A127-T263 WeakPolarHBondContact CB-O 3.49Å; V261-T263 PolarHBondContact O-N 3.18Å; T263-D281 WeakPolarHBondContact O-CB 3.26Å; T263-P301 HydrophobicContact CG2-CB 4.33Å; T263-P301 HydrophobicContact CG2-CG 4.15Å
264D96.4Very high97Very high32 Ų3251.9 Ų51.917%0.17129%0.292CS..EExtended strand (participates in β ladder)trans-100.6147.5-176.6-65.2-16.5000110.4A260 V261 Y266 L277 V279 D281A260-D264 CarbonylContact C-O 3.46Å; A260-D264 WeakPolarHBondContact CA-O 3.44Å; V261-D264 PolarHBondContact N-O 3.39Å; V261-D264 PolarHBondContact O-N 3.4Å; V261-D264 VanDerWaalsContact O-N 3.14Å; D264-Y266 HydrophobicContact CB-CE2 4Å; D264-L277 HydrophobicContact CB-CD1 4.22Å; D264-V279 CarbonylContact C-O 3.51Å; D264-V279 WeakPolarHBondContact CA-O 3.46Å; D264-D281 PolarHBondContact OD1-N 3.07Å
265L98.6Very high96.9Very high0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-114.3132178.9-17866.3000110.6A127 R130 M131 L134 L258 A260 L278 V279A127-L265 HydrophobicContact CB-CB 3.93Å; R130-L265 HydrophobicContact CB-CD2 3.91Å; R130-L265 HydrophobicContact CG-CD2 3.91Å; M131-L265 HydrophobicContact CB-CD1 4Å; M131-L265 HydrophobicContact CB-CD2 4.25Å; M131-L265 HydrophobicContact CE-CD1 3.41Å; M131-L265 VanDerWaalsContact CE-CD1 3.41Å; M131-L265 HydrophobicContact CG-CD1 4.33Å; L134-L265 HydrophobicContact CD1-CD2 3.95Å; L258-L265 HydrophobicContact CB-CD1 4.44Å; A260-L265 HydrophobicContact CB-CD1 4.42Å; L265-L278 HydrophobicContact CD2-CB 4.24Å; L265-L278 HydrophobicContact CD2-CD1 4.36Å; L265-L278 HydrophobicContact CG-CB 4.23Å; L265-L278 HydrophobicContact CG-CD1 4.39Å; L265-L278 PolarHBondContact O-N 3.31Å; L265-V279 HydrophobicContact CB-CB 3.84Å; L265-V279 HydrophobicContact CB-CG2 4.12Å; L265-V279 HydrophobicContact CD2-CG2 4.14Å; L265-V279 PolarHBondContact N-O 3.32Å; L265-V279 PolarHBondContact O-N 2.84Å; L265-V279 VanDerWaalsContact O-N 3.09Å
266Y98.6Very high96.8Very high58 Ų5854.8 Ų54.823%0.22729%0.292CS..EExtended strand (participates in β ladder)trans-120.1152.9173.7-58.2-91.9000111.1L258 L259 V261 D264 Q275 E276 L277L258-Y266 WeakPolarHBondContact CA-O 3.32Å; L259-Y266 PolarHBondContact N-O 3.42Å; L259-Y266 PolarHBondContact O-N 3.1Å; V261-Y266 HydrophobicContact CB-CE2 4.16Å; V261-Y266 HydrophobicContact CG2-CD2 4.24Å; V261-Y266 HydrophobicContact CG2-CE2 4.14Å; D264-Y266 HydrophobicContact CB-CE2 4Å; Y266-Q275 VanDerWaalsContact CB-CD 3.49Å; Y266-Q275 VanDerWaalsContact CB-NE2 3.32Å; Y266-Q275 HydrophobicContact CD1-CG 4.17Å; Y266-Q275 HydrophobicContact CG-CG 4.27Å; Y266-E276 CarbonylContact C-O 3.59Å; Y266-E276 WeakPolarHBondContact CA-O 3.49Å; Y266-E276 WeakPolarHBondContact CB-O 3.08Å; Y266-L277 HydrophobicContact CD1-CB 4.06Å; Y266-L277 HydrophobicContact CD1-CD1 3.92Å; Y266-L277 HydrophobicContact CE1-CB 3.96Å; Y266-L277 HydrophobicContact CE1-CD1 3.51Å; Y266-L277 HydrophobicContact CE1-CG 4.27Å; Y266-L277 HydrophobicContact CE2-CD1 4.31Å; Y266-L277 HydrophobicContact CG-CD1 4.5Å
267G98.5Very high96.8Very high1 Ų158.7 Ų58.71%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-133.8154.8175.400000112.3Y139 R257 Q275 E276Y139-G267 VanDerWaalsContact OH-C 3.31Å; Y139-G267 WeakPolarHBondContact OH-CA 3.19Å; R257-G267 WeakPolarHBondContact O-CA 3.39Å; G267-Q275 WeakPolarHBondContact O-CA 3.36Å; G267-E276 PolarHBondContact N-O 2.96Å; G267-E276 WeakPolarHBondContact O-CG 3.17Å; G267-E276 PolarHBondContact O-N 2.86Å
268Q98.5Very high96.8Very high46 Ų4657.9 Ų57.922%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-153.2115.4169.7-172.9175.19.500109.8Y139 G256 R257 Q275Y139-Q268 PolarHBondContact OH-N 3.17Å; G256-Q268 CarbonylContact C-O 3.41Å; G256-Q268 VanDerWaalsContact CA-O 3.22Å; G256-Q268 WeakPolarHBondContact CA-O 3.03Å; R257-Q268 HydrophobicContact CG-CB 4.09Å; R257-Q268 PolarHBondContact N-O 3.38Å; R257-Q268 PolarHBondContact O-N 3.24Å; Q268-Q275 HydrophobicContact CB-CB 4.46Å
269R97.7Very high96.7Very high113 Ų11359.2 Ų59.243%0.42632%0.321SS..EExtended strand (participates in β ladder)trans-75.3153.2168.8-64.5-179-178.7-102.93.3110.1Y139 S271 A272Y139-R269 HydrophobicContact CE1-CG 4.07Å; Y139-R269 HydrophobicContact CE2-CG 4.19Å; R269-S271 PolarHBondContact O-N 2.91Å; R269-S271 VanDerWaalsContact O-N 3.14Å; R269-A272 HydrophobicContact CB-CB 4.29Å; R269-A272 WeakPolarHBondContact O-CB 3.48Å; R269-A272 PolarHBondContact O-N 2.75Å
270N95.8Very high96.5Very high116 Ų11664.7 Ų64.762%0.6235%0.346SS*.THydrogen-bonded Turntrans-58.6-29.3177.4-70.5-11.8000113.1S254 A255 G256 A272S254-N270 PolarHBondContact O-ND2 2.65Å; A255-N270 PolarHBondContact O-N 3.36Å; G256-N270 WeakPolarHBondContact CA-OD1 3.44Å; N270-A272 VanDerWaalsContact C-N 3.34Å
271S94.5Very high96Very high110 Ų11065.3 Ų65.377%0.76935%0.349SS*.THydrogen-bonded Turntrans-81.7-10.8176.760.90000113.9R269R269-S271 PolarHBondContact O-N 2.91Å; R269-S271 VanDerWaalsContact O-N 3.14Å
272A95.7Very high95.3Very high33 Ų3366.7 Ų66.727%0.27337%0.367SS..  trans-89.9133.3-176.100000110.7R269 N270 E274R269-A272 HydrophobicContact CB-CB 4.29Å; R269-A272 WeakPolarHBondContact O-CB 3.48Å; R269-A272 PolarHBondContact O-N 2.75Å; N270-A272 VanDerWaalsContact C-N 3.34Å; A272-E274 VanDerWaalsContact C-N 3.29Å; A272-E274 PolarHBondContact O-N 2.85Å
273P94.2Very high94.6Very high130 Ų13066.3 Ų66.384%0.84436%0.361SS*.SBendtrans-71.1-26-176.729-34.8000112.9
274E95.2Very high93.5Very high150 Ų15070.9 Ų70.970%0.70139%0.391SS*.SBendtrans-140.4163.8-175.565.4-172.2172.100112.1A272A272-E274 VanDerWaalsContact C-N 3.29Å; A272-E274 PolarHBondContact O-N 2.85Å
275Q96.6Very high92.3Very high69 Ų6970.8 Ų70.832%0.32239%0.391SS..  trans-78.3136.4175179.1-178.1-69.600110.1Y266 G267 Q268Y266-Q275 VanDerWaalsContact CB-CD 3.49Å; Y266-Q275 VanDerWaalsContact CB-NE2 3.32Å; Y266-Q275 HydrophobicContact CD1-CG 4.17Å; Y266-Q275 HydrophobicContact CG-CG 4.27Å; G267-Q275 WeakPolarHBondContact O-CA 3.36Å; Q268-Q275 HydrophobicContact CB-CB 4.46Å
276E97Very high90.7Very high96 Ų9673.8 Ų73.845%0.44941%0.412SS..EExtended strand (participates in β ladder)trans-105.8148175.265-176.3161.700111.5Y139 Y266 G267 L278Y139-E276 PolarHBondContact OH-OE1 3.1Å; Y266-E276 CarbonylContact C-O 3.59Å; Y266-E276 WeakPolarHBondContact CA-O 3.49Å; Y266-E276 WeakPolarHBondContact CB-O 3.08Å; G267-E276 PolarHBondContact N-O 2.96Å; G267-E276 WeakPolarHBondContact O-CG 3.17Å; G267-E276 PolarHBondContact O-N 2.86Å; E276-L278 HydrophobicContact CG-CD2 3.69Å; E276-L278 HydrophobicContact CG-CG 4.07Å; E276-L278 WeakPolarHBondContact OE1-CD2 3.32Å
277L98Very high88.9Confident83 Ų8376.7 Ų76.744%0.43543%0.432SS..EExtended strand (participates in β ladder)trans-83.9116169.4177.664.8000108.7D264 Y266 V279 Q280D264-L277 HydrophobicContact CB-CD1 4.22Å; Y266-L277 HydrophobicContact CD1-CB 4.06Å; Y266-L277 HydrophobicContact CD1-CD1 3.92Å; Y266-L277 HydrophobicContact CE1-CB 3.96Å; Y266-L277 HydrophobicContact CE1-CD1 3.51Å; Y266-L277 HydrophobicContact CE1-CG 4.27Å; Y266-L277 HydrophobicContact CE2-CD1 4.31Å; Y266-L277 HydrophobicContact CG-CD1 4.5Å; L277-V279 WeakPolarHBondContact CD1-O 3.42Å; L277-Q280 HydrophobicContact CD2-CB 4.1Å
278L97.8Very high87.6Confident55 Ų5582 Ų8229%0.28847%0.468SS..EExtended strand (participates in β ladder)trans-96.8-37.5-176.3-66177.5000112.7L134 L258 L265 E276L134-L278 HydrophobicContact CD1-CD1 3.6Å; L258-L278 HydrophobicContact CD2-CD1 3.68Å; L265-L278 HydrophobicContact CD2-CB 4.24Å; L265-L278 HydrophobicContact CD2-CD1 4.36Å; L265-L278 HydrophobicContact CG-CB 4.23Å; L265-L278 HydrophobicContact CG-CD1 4.39Å; L265-L278 PolarHBondContact O-N 3.31Å; E276-L278 HydrophobicContact CG-CD2 3.69Å; E276-L278 HydrophobicContact CG-CG 4.07Å; E276-L278 WeakPolarHBondContact OE1-CD2 3.32Å
279V97.3Very high86.7Confident28 Ų2882.1 Ų82.117%0.1747%0.47CS..EExtended strand (participates in β ladder)trans-138.8124.6176.2-177.70000108.3P126 R130 D264 L265 L277P126-V279 HydrophobicContact CB-CG1 4.06Å; R130-V279 HydrophobicContact CB-CG2 3.73Å; R130-V279 HydrophobicContact CG-CG2 3.76Å; D264-V279 CarbonylContact C-O 3.51Å; D264-V279 WeakPolarHBondContact CA-O 3.46Å; L265-V279 HydrophobicContact CB-CB 3.84Å; L265-V279 HydrophobicContact CB-CG2 4.12Å; L265-V279 HydrophobicContact CD2-CG2 4.14Å; L265-V279 PolarHBondContact N-O 3.32Å; L265-V279 PolarHBondContact O-N 2.84Å; L265-V279 VanDerWaalsContact O-N 3.09Å; L277-V279 WeakPolarHBondContact CD1-O 3.42Å
280Q95.1Very high86.1Confident139 Ų13977.2 Ų77.265%0.6545%0.452SS*.  trans-105.9120.3164.5-168.9170.722.900108.1L277 A282L277-Q280 HydrophobicContact CD2-CB 4.1Å; Q280-A282 PolarHBondContact O-N 3.37Å; Q280-A282 VanDerWaalsContact O-N 3.1Å
281D86.4Confident85.6Confident14 Ų1473.8 Ų73.88%0.07544%0.436CS..  trans-78.7103.5-179-175.613.8000110.5T263 D264 T283 R304T263-D281 WeakPolarHBondContact O-CB 3.26Å; D264-D281 PolarHBondContact OD1-N 3.07Å; D281-T283 VanDerWaalsContact C-N 3.34Å; D281-T283 WeakPolarHBondContact OD1-CB 3.38Å; D281-T283 PolarHBondContact OD1-N 3.24Å; D281-T283 PolarHBondContact OD1-OG1 2.93Å; D281-R304 PolarHBondContact O-NH1 3.49Å; D281-R304 IonicContact OD1-NH1 3.55Å; D281-R304 WeakPolarHBondContact OD2-CD 3.28Å; D281-R304 IonicContact OD2-CZ 2.96Å; D281-R304 IonicContact OD2-NE 3.71Å; D281-R304 IonicContact OD2-NH1 3.61Å; D281-R304 PolarHBondContact OD2-NH1 3.16Å
282A82.8Confident85Confident90 Ų9076.7 Ų76.774%0.74444%0.438SS*.  trans-92.312.7176.100000113.1Q280 P284Q280-A282 PolarHBondContact O-N 3.37Å; Q280-A282 VanDerWaalsContact O-N 3.1Å; A282-P284 VanDerWaalsContact O-CD 3.22Å; A282-P284 WeakPolarHBondContact O-CD 3.47Å
283T78.6Confident84.4Confident12 Ų1281.9 Ų81.97%0.07445%0.454CS..  trans-57.4115-179.3-58.80000110D281 V285 K308D281-T283 VanDerWaalsContact C-N 3.34Å; D281-T283 WeakPolarHBondContact OD1-CB 3.38Å; D281-T283 PolarHBondContact OD1-N 3.24Å; D281-T283 PolarHBondContact OD1-OG1 2.93Å; T283-V285 PolarHBondContact O-N 2.6Å; T283-K308 WeakPolarHBondContact OG1-CE 3.32Å; T283-K308 PolarHBondContact OG1-NZ 3.13Å
284P71.3Confident83.9Confident114 Ų11475.7 Ų75.774%0.7441%0.414SS*.  trans-69.2125.5179.326.6-30.6000108.6A282A282-P284 VanDerWaalsContact O-CD 3.22Å; A282-P284 WeakPolarHBondContact O-CD 3.47Å
285V70.1Confident83.3Confident29 Ų2971.9 Ų71.918%0.17640%0.395CS..  trans-103.597.8168.8-165.10000105.8T283 N287 L290 F295 L303 R304 I307T283-V285 PolarHBondContact O-N 2.6Å; V285-N287 PolarHBondContact O-N 3.1Å; V285-L290 HydrophobicContact CG1-CD1 4.02Å; V285-F295 HydrophobicContact CB-CE1 3.92Å; V285-F295 HydrophobicContact CG1-CD1 4.22Å; V285-F295 HydrophobicContact CG1-CE1 3.3Å; V285-F295 HydrophobicContact CG1-CZ 3.88Å; V285-L303 HydrophobicContact CG1-CD2 3.77Å; V285-L303 HydrophobicContact CG1-CG 4.26Å; V285-R304 HydrophobicContact CG2-CG 3.72Å; V285-I307 HydrophobicContact CG1-CD1 4.05Å; V285-I307 HydrophobicContact CG2-CD1 4.22Å
286S65.9Low82.6Confident63 Ų6372.7 Ų72.744%0.44141%0.409SS..  trans-72.8120.1-175.9-1730000110.9S288 L289S286-S288 PolarHBondContact O-N 2.74Å; S286-S288 VanDerWaalsContact O-N 3.11Å; S286-S288 PolarHBondContact OG-N 3.17Å; S286-S288 PolarHBondContact OG-OG 2.91Å; S286-L289 PolarHBondContact O-N 2.91Å
287N60Low82Confident120 Ų12073 Ų7364%0.64241%0.413SS*.THydrogen-bonded Turntrans-58.7-20.2171.6-69.73.7000112.9V285 L289 F295V285-N287 PolarHBondContact O-N 3.1Å; N287-L289 VanDerWaalsContact C-N 3.3Å; N287-L289 PolarHBondContact O-N 2.73Å; N287-F295 HydrophobicContact CB-CZ 4.41Å; N287-F295 VanDerWaalsContact OD1-CE1 3.32Å; N287-F295 WeakPolarHBondContact OD1-CE1 3.43Å; N287-F295 WeakPolarHBondContact OD1-CZ 3.3Å
288S70.8Confident81.6Confident111 Ų11170.6 Ų70.678%0.77640%0.401SS*.THydrogen-bonded Turntrans-72.8-23.3-179.467.70000113.5S286S286-S288 PolarHBondContact O-N 2.74Å; S286-S288 VanDerWaalsContact O-N 3.11Å; S286-S288 PolarHBondContact OG-N 3.17Å; S286-S288 PolarHBondContact OG-OG 2.91Å
289L80.2Confident81.3Confident50 Ų5069.7 Ų69.726%0.26240%0.398SS..THydrogen-bonded Turntrans-97.2-26.8-172.6-159.4113.4000112.8P19 L20 D23 S286 N287P19-L289 HydrophobicContact CB-CD2 3.64Å; P19-L289 HydrophobicContact CB-CG 3.95Å; P19-L289 VanDerWaalsContact CB-O 3.31Å; P19-L289 WeakPolarHBondContact CB-O 3.11Å; L20-L289 HydrophobicContact CD2-CD2 3.74Å; L20-L289 HydrophobicContact CG-CD2 4.41Å; D23-L289 HydrophobicContact CB-CD1 3.83Å; D23-L289 HydrophobicContact CB-CD2 4.21Å; D23-L289 WeakPolarHBondContact OD1-CD1 2.99Å; S286-L289 PolarHBondContact O-N 2.91Å; N287-L289 VanDerWaalsContact C-N 3.3Å; N287-L289 PolarHBondContact O-N 2.73Å
290L85.9Confident80.9Confident10 Ų1071 Ų715%0.05241%0.408CS..SBendtrans-118.8143.8-171.7-61.7177.7000110.5V16 P19 L20 V285 A294 F295 L303V16-L290 HydrophobicContact CB-CD2 4.26Å; V16-L290 HydrophobicContact CG1-CD2 3.97Å; V16-L290 HydrophobicContact CG2-CD2 4.32Å; P19-L290 HydrophobicContact CB-CD2 4.33Å; L20-L290 HydrophobicContact CD2-CD2 4.35Å; L20-L290 HydrophobicContact CG-CD2 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.02Å; L290-A294 HydrophobicContact CB-CB 4.3Å; L290-F295 HydrophobicContact CB-CE2 3.77Å; L290-F295 HydrophobicContact CB-CZ 3.96Å; L290-F295 HydrophobicContact CD1-CZ 4.3Å; L290-L303 HydrophobicContact CD1-CD1 3.86Å; L290-L303 HydrophobicContact CD1-CD2 4.12Å; L290-L303 HydrophobicContact CD1-CG 4.33Å
291P83.8Confident80.8Confident43 Ų4364.7 Ų64.728%0.27938%0.379SS..  trans-62.7145.4176.427.3-33.9000110.3L12 R15 K293 A294L12-P291 HydrophobicContact CD1-CG 4.21Å; R15-P291 HydrophobicContact CB-CG 4.4Å; P291-K293 PolarHBondContact O-N 2.93Å; P291-A294 HydrophobicContact CG-CB 4.18Å; P291-A294 WeakPolarHBondContact O-CB 3.37Å; P291-A294 PolarHBondContact O-N 3.17Å
292E83.4Confident81.2Confident171 Ų17165 Ų6580%0.79938%0.38SS*.Hα-helixtrans-51.3-37.4179-71.3-176.1168.700112.9A294 F295 S296E292-A294 PolarHBondContact O-N 2.92Å; E292-F295 WeakPolarHBondContact O-CB 3.44Å; E292-F295 PolarHBondContact O-N 3.25Å; E292-S296 PolarHBondContact O-N 3.24Å
293K83.4Confident81.7Confident142 Ų14261 Ų6162%0.61735%0.345SS*.Hα-helixtrans-57.9-27.6175.7-77.3-174.3179.21740114.1L12 P291 F295 S296 D297L12-K293 HydrophobicContact CD1-CB 4.14Å; P291-K293 PolarHBondContact O-N 2.93Å; K293-F295 PolarHBondContact O-N 3.16Å; K293-S296 WeakPolarHBondContact CA-OG 3.35Å; K293-S296 PolarHBondContact O-N 2.84Å; K293-S296 PolarHBondContact O-OG 3.48Å; K293-D297 VanDerWaalsContact O-CB 3.25Å; K293-D297 WeakPolarHBondContact O-CB 3.36Å; K293-D297 PolarHBondContact O-N 2.96Å
294A83Confident82.3Confident0 Ų062.6 Ų62.60%035%0.35CS..Hα-helixtrans-62.1-36.9175.500000111.1V16 L290 P291 E292 I298V16-A294 HydrophobicContact CG2-CB 3.53Å; L290-A294 HydrophobicContact CB-CB 4.3Å; P291-A294 HydrophobicContact CG-CB 4.18Å; P291-A294 WeakPolarHBondContact O-CB 3.37Å; P291-A294 PolarHBondContact O-N 3.17Å; E292-A294 PolarHBondContact O-N 2.92Å; A294-I298 HydrophobicContact CB-CD1 4.49Å; A294-I298 VanDerWaalsContact O-CB 3.3Å; A294-I298 WeakPolarHBondContact O-CB 3.04Å; A294-I298 PolarHBondContact O-N 3.43Å; A294-I298 VanDerWaalsContact O-N 3.08Å
295F81.5Confident83.5Confident71 Ų7157.1 Ų57.131%0.31132%0.315SS..Hα-helixtrans-77.6-27.2-178.7-58.4-91.1000112.9V285 N287 L290 E292 K293 L303V285-F295 HydrophobicContact CB-CE1 3.92Å; V285-F295 HydrophobicContact CG1-CD1 4.22Å; V285-F295 HydrophobicContact CG1-CE1 3.3Å; V285-F295 HydrophobicContact CG1-CZ 3.88Å; N287-F295 HydrophobicContact CB-CZ 4.41Å; N287-F295 VanDerWaalsContact OD1-CE1 3.32Å; N287-F295 WeakPolarHBondContact OD1-CE1 3.43Å; N287-F295 WeakPolarHBondContact OD1-CZ 3.3Å; L290-F295 HydrophobicContact CB-CE2 3.77Å; L290-F295 HydrophobicContact CB-CZ 3.96Å; L290-F295 HydrophobicContact CD1-CZ 4.3Å; E292-F295 WeakPolarHBondContact O-CB 3.44Å; E292-F295 PolarHBondContact O-N 3.25Å; K293-F295 PolarHBondContact O-N 3.16Å; F295-L303 HydrophobicContact CD1-CD2 4.25Å; F295-L303 HydrophobicContact CE1-CD2 4.37Å
296S81.5Confident84.6Confident86 Ų8656.9 Ų56.960%0.60131%0.314SS*.Hα-helixtrans-84.7-36.6175.962.90000113.2E292 K293E292-S296 PolarHBondContact O-N 3.24Å; K293-S296 WeakPolarHBondContact CA-OG 3.35Å; K293-S296 PolarHBondContact O-N 2.84Å; K293-S296 PolarHBondContact O-OG 3.48Å
297D85Confident85.9Confident103 Ų10354.7 Ų54.755%0.55130%0.297SS*.Hα-helixtrans-103.7-20.2-166.8-60.84.8000112.8L12 K293L12-D297 HydrophobicContact CD2-CB 3.61Å; K293-D297 VanDerWaalsContact O-CB 3.25Å; K293-D297 WeakPolarHBondContact O-CB 3.36Å; K293-D297 PolarHBondContact O-N 2.96Å
298I89.2Confident87.6Confident32 Ų3251.7 Ų51.716%0.16428%0.278CS..SBendtrans-108.9120.6176.5-56172000108.7L12 V16 A294 S300 L303L12-I298 HydrophobicContact CD2-CD1 4.29Å; L12-I298 HydrophobicContact CD2-CG1 4.14Å; L12-I298 HydrophobicContact CG-CD1 4.29Å; V16-I298 HydrophobicContact CG2-CD1 3.76Å; A294-I298 HydrophobicContact CB-CD1 4.49Å; A294-I298 VanDerWaalsContact O-CB 3.3Å; A294-I298 WeakPolarHBondContact O-CB 3.04Å; A294-I298 PolarHBondContact O-N 3.43Å; A294-I298 VanDerWaalsContact O-N 3.08Å; I298-S300 PolarHBondContact O-N 3.24Å; I298-L303 HydrophobicContact CG2-CB 4.08Å
299P91.3Very high88.8Confident35 Ų3546.7 Ų46.723%0.22724%0.242CC..  trans-62.5139.5179.8-19.229.4000112.6F245 P301 Y302 L303F245-P299 HydrophobicContact CB-CB 3.93Å; F245-P299 HydrophobicContact CB-CG 4.06Å; F245-P299 HydrophobicContact CD1-CB 3.32Å; F245-P299 HydrophobicContact CD1-CG 3.86Å; F245-P299 HydrophobicContact CD2-CB 3.98Å; F245-P299 HydrophobicContact CD2-CG 3.52Å; F245-P299 HydrophobicContact CE1-CB 3.64Å; F245-P299 HydrophobicContact CE1-CG 4.06Å; F245-P299 HydrophobicContact CE2-CB 4.27Å; F245-P299 HydrophobicContact CE2-CG 3.76Å; F245-P299 HydrophobicContact CG-CB 3.48Å; F245-P299 VanDerWaalsContact CG-CB 3.48Å; F245-P299 HydrophobicContact CG-CG 3.55Å; F245-P299 HydrophobicContact CZ-CB 4.1Å; F245-P299 HydrophobicContact CZ-CG 4.02Å; P299-P301 VanDerWaalsContact C-CD 3.44Å; P299-P301 VanDerWaalsContact O-N 3.17Å; P299-Y302 HydrophobicContact CB-CD2 3.9Å; P299-Y302 HydrophobicContact CB-CE2 4.4Å; P299-Y302 HydrophobicContact CG-CD2 4.24Å; P299-Y302 PolarHBondContact O-N 2.94Å; P299-L303 PolarHBondContact O-N 2.86Å; P299-L303 VanDerWaalsContact O-N 3.16Å
300S90.2Very high89.5Confident56 Ų5644.4 Ų44.439%0.39223%0.23SC..Hα-helixtrans-47.3-45.8-174.1178.40000114.6I298 Y302 L303 R304I298-S300 PolarHBondContact O-N 3.24Å; S300-Y302 VanDerWaalsContact C-N 3.27Å; S300-Y302 PolarHBondContact O-N 3.44Å; S300-L303 PolarHBondContact O-N 3.46Å; S300-R304 WeakPolarHBondContact O-CB 3.34Å; S300-R304 WeakPolarHBondContact O-CG 3.35Å; S300-R304 PolarHBondContact O-N 2.83Å; S300-R304 PolarHBondContact OG-NE 2.79Å
301P93.6Very high90Very high7 Ų746.6 Ų46.65%0.04524%0.24CC..Hα-helixtrans-57.3-38.2178.3-2534.8000113.4L122 L125 T263 P299 G305L122-P301 HydrophobicContact CD2-CB 4.07Å; L125-P301 HydrophobicContact CD1-CB 3.75Å; L125-P301 WeakPolarHBondContact CD1-O 3.43Å; L125-P301 WeakPolarHBondContact CD2-O 3.36Å; T263-P301 HydrophobicContact CG2-CB 4.33Å; T263-P301 HydrophobicContact CG2-CG 4.15Å; P299-P301 VanDerWaalsContact C-CD 3.44Å; P299-P301 VanDerWaalsContact O-N 3.17Å; P301-G305 PolarHBondContact O-N 2.81Å
302Y94.2Very high90.6Very high21 Ų2145 Ų458%0.08223%0.231CC..Hα-helixtrans-75.4-41.5-178.6-62.8-101.3000110.8V121 L122 Y179 F245 Q247 P299 S300 G305 T306V121-Y302 HydrophobicContact CG2-CD1 4.15Å; V121-Y302 WeakPolarHBondContact CG2-O 3.45Å; L122-Y302 HydrophobicContact CD1-CE1 4.24Å; L122-Y302 HydrophobicContact CD2-CD1 4.26Å; L122-Y302 HydrophobicContact CD2-CD2 4.39Å; L122-Y302 HydrophobicContact CD2-CE1 4.18Å; L122-Y302 HydrophobicContact CD2-CE2 4.28Å; L122-Y302 HydrophobicContact CD2-CG 4.37Å; L122-Y302 HydrophobicContact CG-CE1 4.23Å; Y179-Y302 HydrophobicContact CD1-CD1 4.37Å; Y179-Y302 AromaticContact CD1-CE1 3.93Å; Y179-Y302 HydrophobicContact CD1-CE1 3.93Å; Y179-Y302 AromaticContact CD2-CE1 3.84Å; Y179-Y302 HydrophobicContact CD2-CE1 3.84Å; Y179-Y302 HydrophobicContact CE1-CD1 4.18Å; Y179-Y302 HydrophobicContact CE1-CE1 4.16Å; Y179-Y302 HydrophobicContact CE2-CD1 4.45Å; Y179-Y302 HydrophobicContact CE2-CE1 4.13Å; Y179-Y302 AromaticContact CG-CE1 3.77Å; Y179-Y302 HydrophobicContact CG-CE1 3.77Å; F245-Y302 AromaticContact CE1-CE2 3.9Å; F245-Y302 HydrophobicContact CE1-CE2 3.9Å; F245-Y302 AromaticContact CZ-CE2 3.68Å; F245-Y302 HydrophobicContact CZ-CE2 3.68Å; Q247-Y302 PolarHBondContact OE1-OH 2.97Å; P299-Y302 HydrophobicContact CB-CD2 3.9Å; P299-Y302 HydrophobicContact CB-CE2 4.4Å; P299-Y302 HydrophobicContact CG-CD2 4.24Å; P299-Y302 PolarHBondContact O-N 2.94Å; S300-Y302 VanDerWaalsContact C-N 3.27Å; S300-Y302 PolarHBondContact O-N 3.44Å; Y302-G305 PolarHBondContact O-N 3.12Å; Y302-T306 PolarHBondContact O-N 3.45Å; Y302-T306 PolarHBondContact O-OG1 2.93Å
303L92.3Very high91.2Very high4 Ų436.9 Ų36.92%0.02119%0.193CC..Hα-helixtrans-62.6-47.6177.3-175.657.4000111.4V16 V285 L290 F295 I298 P299 S300 T306 I307V16-L303 HydrophobicContact CG1-CD1 3.6Å; V285-L303 HydrophobicContact CG1-CD2 3.77Å; V285-L303 HydrophobicContact CG1-CG 4.26Å; L290-L303 HydrophobicContact CD1-CD1 3.86Å; L290-L303 HydrophobicContact CD1-CD2 4.12Å; L290-L303 HydrophobicContact CD1-CG 4.33Å; F295-L303 HydrophobicContact CD1-CD2 4.25Å; F295-L303 HydrophobicContact CE1-CD2 4.37Å; I298-L303 HydrophobicContact CG2-CB 4.08Å; P299-L303 PolarHBondContact O-N 2.86Å; P299-L303 VanDerWaalsContact O-N 3.16Å; S300-L303 PolarHBondContact O-N 3.46Å; L303-T306 WeakPolarHBondContact O-CB 3.27Å; L303-T306 PolarHBondContact O-N 3.48Å; L303-I307 WeakPolarHBondContact O-CG1 3.43Å; L303-I307 PolarHBondContact O-N 3.31Å; L303-I307 VanDerWaalsContact O-N 3.16Å
304R92.7Very high91.8Very high46 Ų4634.7 Ų34.717%0.17418%0.181CC..Hα-helixtrans-67.2-40178.6-66.7-167.9-175.7-159.2-4.8112.7L125 D281 V285 S300 T306 I307 K308L125-R304 HydrophobicContact CD2-CB 3.85Å; D281-R304 PolarHBondContact O-NH1 3.49Å; D281-R304 IonicContact OD1-NH1 3.55Å; D281-R304 WeakPolarHBondContact OD2-CD 3.28Å; D281-R304 IonicContact OD2-CZ 2.96Å; D281-R304 IonicContact OD2-NE 3.71Å; D281-R304 IonicContact OD2-NH1 3.61Å; D281-R304 PolarHBondContact OD2-NH1 3.16Å; V285-R304 HydrophobicContact CG2-CG 3.72Å; S300-R304 WeakPolarHBondContact O-CB 3.34Å; S300-R304 WeakPolarHBondContact O-CG 3.35Å; S300-R304 PolarHBondContact O-N 2.83Å; S300-R304 PolarHBondContact OG-NE 2.79Å; R304-T306 PolarHBondContact O-N 3.38Å; R304-I307 WeakPolarHBondContact O-CB 3.23Å; R304-I307 PolarHBondContact O-N 3.15Å; R304-K308 WeakPolarHBondContact O-CG 3.26Å; R304-K308 PolarHBondContact O-N 2.97Å
305G94.7Very high92.5Very high0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-58.4-39.1171.700000111.8V121 P301 Y302 I307 K308 M309V121-G305 WeakPolarHBondContact O-CA 3.35Å; P301-G305 PolarHBondContact O-N 2.81Å; Y302-G305 PolarHBondContact O-N 3.12Å; G305-I307 PolarHBondContact O-N 3.21Å; G305-K308 PolarHBondContact O-N 2.8Å; G305-M309 WeakPolarHBondContact O-CB 3.23Å; G305-M309 PolarHBondContact O-N 2.71Å
306T94.1Very high93.2Very high24 Ų2436.7 Ų36.715%0.14719%0.191CC..Hα-helixtrans-61.7-44.8177.3-54.30000111.2I17 L20 Y302 L303 R304 M309 M310I17-T306 HydrophobicContact CD1-CG2 3.64Å; L20-T306 HydrophobicContact CD1-CG2 3.86Å; Y302-T306 PolarHBondContact O-N 3.45Å; Y302-T306 PolarHBondContact O-OG1 2.93Å; L303-T306 WeakPolarHBondContact O-CB 3.27Å; L303-T306 PolarHBondContact O-N 3.48Å; R304-T306 PolarHBondContact O-N 3.38Å; T306-M309 PolarHBondContact O-N 2.76Å; T306-M310 WeakPolarHBondContact O-CG 3.16Å; T306-M310 PolarHBondContact O-N 2.92Å
307I93.6Very high93.9Very high17 Ų1732.8 Ų32.89%0.08716%0.163CC..Hα-helixtrans-58.3-50.1176.2-64.1168.2000110.5L20 V285 L303 R304 G305 M309 M310 Q311L20-I307 HydrophobicContact CD1-CG1 3.92Å; L20-I307 HydrophobicContact CD2-CD1 4.47Å; L20-I307 HydrophobicContact CD2-CG1 3.74Å; V285-I307 HydrophobicContact CG1-CD1 4.05Å; V285-I307 HydrophobicContact CG2-CD1 4.22Å; L303-I307 WeakPolarHBondContact O-CG1 3.43Å; L303-I307 PolarHBondContact O-N 3.31Å; L303-I307 VanDerWaalsContact O-N 3.16Å; R304-I307 WeakPolarHBondContact O-CB 3.23Å; R304-I307 PolarHBondContact O-N 3.15Å; G305-I307 PolarHBondContact O-N 3.21Å; I307-M309 VanDerWaalsContact C-N 3.33Å; I307-M309 PolarHBondContact O-N 3.31Å; I307-M310 PolarHBondContact O-N 3.12Å; I307-Q311 WeakPolarHBondContact O-CG 3.39Å; I307-Q311 PolarHBondContact O-N 3.27Å; I307-Q311 VanDerWaalsContact O-N 3.1Å
308K94.6Very high94.3Very high57 Ų5732 Ų3225%0.24816%0.156CC..Hα-helixtrans-63.4-37.4179.2-65.6-60.8-176.9-172.70112.8F124 T283 R304 G305 Q311 A312F124-K308 HydrophobicContact CB-CB 3.76Å; F124-K308 WeakPolarHBondContact O-CB 3.09Å; T283-K308 WeakPolarHBondContact OG1-CE 3.32Å; T283-K308 PolarHBondContact OG1-NZ 3.13Å; R304-K308 WeakPolarHBondContact O-CG 3.26Å; R304-K308 PolarHBondContact O-N 2.97Å; G305-K308 PolarHBondContact O-N 2.8Å; K308-Q311 WeakPolarHBondContact O-CB 3.43Å; K308-Q311 PolarHBondContact O-N 3.29Å; K308-A312 PolarHBondContact O-N 3.29Å
309M96Very high94.2Very high6 Ų637.4 Ų37.43%0.0319%0.185CC..Hα-helixtrans-64-44.2174.9-175.2174.97600111.4I91 V121 F124 G305 T306 I307 Q311 A312 V313I91-M309 HydrophobicContact CG2-CE 4.22Å; V121-M309 HydrophobicContact CG1-CB 4.43Å; V121-M309 HydrophobicContact CG1-CE 3.74Å; V121-M309 HydrophobicContact CG1-SD 3.9Å; F124-M309 HydrophobicContact CB-CB 4.5Å; F124-M309 HydrophobicContact CD1-CB 4.29Å; F124-M309 HydrophobicContact CD2-CB 3.73Å; F124-M309 HydrophobicContact CD2-CG 3.92Å; F124-M309 HydrophobicContact CD2-SD 4.33Å; F124-M309 HydrophobicContact CE1-CB 4.46Å; F124-M309 HydrophobicContact CE1-CG 4.35Å; F124-M309 HydrophobicContact CE2-CB 3.92Å; F124-M309 HydrophobicContact CE2-CG 3.55Å; F124-M309 HydrophobicContact CE2-SD 3.89Å; F124-M309 HydrophobicContact CG-CB 3.92Å; F124-M309 HydrophobicContact CG-CG 4.44Å; F124-M309 HydrophobicContact CZ-CB 4.27Å; F124-M309 HydrophobicContact CZ-CG 3.78Å; G305-M309 WeakPolarHBondContact O-CB 3.23Å; G305-M309 PolarHBondContact O-N 2.71Å; T306-M309 PolarHBondContact O-N 2.76Å; I307-M309 VanDerWaalsContact C-N 3.33Å; I307-M309 PolarHBondContact O-N 3.31Å; M309-Q311 VanDerWaalsContact C-N 3.3Å; M309-Q311 PolarHBondContact O-N 3.11Å; M309-A312 PolarHBondContact O-N 3.06Å; M309-V313 HydrophobicContact CG-CG2 4.46Å; M309-V313 VanDerWaalsContact O-CG2 3.3Å; M309-V313 WeakPolarHBondContact O-CG2 3.28Å; M309-V313 PolarHBondContact O-N 3.25Å
310M95.5Very high94.2Very high1 Ų138.1 Ų38.11%0.00519%0.185CC..Hα-helixtrans-62.6-37.4177.4-67.8-57.196.700112.2I17 L20 L21 E24 I91 T306 I307 V313 R314I17-M310 HydrophobicContact CD1-CE 3.93Å; I17-M310 HydrophobicContact CD1-CG 3.95Å; I17-M310 HydrophobicContact CD1-SD 3.57Å; I17-M310 VanDerWaalsContact CD1-SD 3.57Å; I17-M310 HydrophobicContact CG1-SD 4.23Å; L20-M310 HydrophobicContact CB-CG 4.22Å; L21-M310 HydrophobicContact CD2-SD 3.6Å; L21-M310 VanDerWaalsContact CD2-SD 3.6Å; L21-M310 HydrophobicContact CG-SD 4.06Å; E24-M310 HydrophobicContact CG-CB 4.17Å; I91-M310 HydrophobicContact CD1-CE 4.17Å; T306-M310 WeakPolarHBondContact O-CG 3.16Å; T306-M310 PolarHBondContact O-N 2.92Å; I307-M310 PolarHBondContact O-N 3.12Å; M310-V313 HydrophobicContact CE-CG2 4.35Å; M310-V313 PolarHBondContact O-N 2.9Å; M310-R314 PolarHBondContact O-N 3.19Å
311Q95.4Very high94Very high57 Ų5744 Ų4427%0.26621%0.213SC..Hα-helixtrans-61.1-44.8172.7-72.7170.7-4.900112.1E24 I307 K308 M309 R314 Q315E24-Q311 WeakPolarHBondContact OE1-CG 3.48Å; E24-Q311 PolarHBondContact OE1-NE2 2.77Å; I307-Q311 WeakPolarHBondContact O-CG 3.39Å; I307-Q311 PolarHBondContact O-N 3.27Å; I307-Q311 VanDerWaalsContact O-N 3.1Å; K308-Q311 WeakPolarHBondContact O-CB 3.43Å; K308-Q311 PolarHBondContact O-N 3.29Å; M309-Q311 VanDerWaalsContact C-N 3.3Å; M309-Q311 PolarHBondContact O-N 3.11Å; Q311-R314 WeakPolarHBondContact O-CB 3.18Å; Q311-R314 PolarHBondContact O-N 3.05Å; Q311-Q315 WeakPolarHBondContact O-CG 3.12Å; Q311-Q315 PolarHBondContact O-N 2.76Å
312A96.5Very high93.9Very high9 Ų947.7 Ų47.77%0.07423%0.232CC..Hα-helixtrans-65.5-40.517700000112.1F124 K308 M309 Q315 A316 L331F124-A312 HydrophobicContact CD1-CB 3.99Å; F124-A312 HydrophobicContact CE1-CB 3.56Å; K308-A312 PolarHBondContact O-N 3.29Å; M309-A312 PolarHBondContact O-N 3.06Å; A312-Q315 PolarHBondContact O-N 3.47Å; A312-A316 PolarHBondContact O-N 3.47Å; A312-L331 HydrophobicContact CB-CD2 3.76Å
313V97.1Very high93.7Very high0 Ų050.6 Ų50.60%024%0.243CC..Hα-helixtrans-62.1-43.6174.9172.80000110.7F26 L66 I91 M115 I117 M309 M310 Q315 A316 F317 L331F26-V313 HydrophobicContact CE2-CG1 4.49Å; F26-V313 HydrophobicContact CZ-CG1 3.89Å; L66-V313 HydrophobicContact CD2-CG1 4.08Å; I91-V313 HydrophobicContact CD1-CB 4.47Å; I91-V313 HydrophobicContact CD1-CG1 3.95Å; I91-V313 HydrophobicContact CD1-CG2 3.76Å; M115-V313 HydrophobicContact CE-CG1 4.49Å; I117-V313 HydrophobicContact CD1-CG2 3.96Å; M309-V313 HydrophobicContact CG-CG2 4.46Å; M309-V313 VanDerWaalsContact O-CG2 3.3Å; M309-V313 WeakPolarHBondContact O-CG2 3.28Å; M309-V313 PolarHBondContact O-N 3.25Å; M310-V313 HydrophobicContact CE-CG2 4.35Å; M310-V313 PolarHBondContact O-N 2.9Å; V313-Q315 PolarHBondContact O-N 3.36Å; V313-A316 WeakPolarHBondContact O-CB 3.36Å; V313-A316 PolarHBondContact O-N 3.41Å; V313-F317 HydrophobicContact CG1-CD2 4.08Å; V313-F317 HydrophobicContact CG1-CE2 4.05Å; V313-F317 VanDerWaalsContact O-CD2 3.31Å; V313-F317 WeakPolarHBondContact O-CD2 3.44Å; V313-F317 PolarHBondContact O-N 3.25Å; V313-L331 HydrophobicContact CG2-CD1 4.44Å; V313-L331 HydrophobicContact CG2-CD2 4.04Å
314R96.3Very high93.5Very high97 Ų9755.6 Ų55.637%0.36626%0.261SS..Hα-helixtrans-56-50173.3177-172172.81673.9111.7L2 E24 F26 M310 Q311 A316 F317 Q318L2-R314 HydrophobicContact CD1-CG 4.28Å; L2-R314 HydrophobicContact CD2-CG 4.43Å; E24-R314 HydrophobicContact CB-CB 4.39Å; E24-R314 VanDerWaalsContact O-CD 3.28Å; E24-R314 WeakPolarHBondContact O-CD 3.46Å; E24-R314 WeakPolarHBondContact OE2-CD 3.44Å; E24-R314 IonicContact OE2-CZ 2.65Å; E24-R314 IonicContact OE2-NE 3.21Å; E24-R314 IonicContact OE2-NH1 2.74Å; E24-R314 PolarHBondContact OE2-NH1 2.87Å; F26-R314 HydrophobicContact CE2-CB 3.85Å; F26-R314 HydrophobicContact CZ-CB 4.17Å; M310-R314 PolarHBondContact O-N 3.19Å; Q311-R314 WeakPolarHBondContact O-CB 3.18Å; Q311-R314 PolarHBondContact O-N 3.05Å; R314-A316 PolarHBondContact O-N 3.45Å; R314-F317 PolarHBondContact O-N 2.89Å; R314-F317 VanDerWaalsContact O-N 3.16Å; R314-Q318 PolarHBondContact O-N 3.11Å
315Q96.4Very high93.5Very high112 Ų11256.7 Ų56.752%0.52327%0.274SS..Hα-helixtrans-59.5-36.8179.7-70.9172.61700111.8Q311 A312 V313 F317 Q318 P330Q311-Q315 WeakPolarHBondContact O-CG 3.12Å; Q311-Q315 PolarHBondContact O-N 2.76Å; A312-Q315 PolarHBondContact O-N 3.47Å; V313-Q315 PolarHBondContact O-N 3.36Å; Q315-F317 VanDerWaalsContact C-N 3.32Å; Q315-F317 PolarHBondContact O-N 2.93Å; Q315-Q318 PolarHBondContact O-N 3.06Å; Q315-P330 HydrophobicContact CB-CB 3.83Å; Q315-P330 HydrophobicContact CB-CG 3.79Å
316A96.7Very high93.5Very high0 Ų059.8 Ų59.80%029%0.285CS..Hα-helixtrans-64.1-33.7177.800000113.3A312 V313 R314 W326 D327 P330 L331A312-A316 PolarHBondContact O-N 3.47Å; V313-A316 WeakPolarHBondContact O-CB 3.36Å; V313-A316 PolarHBondContact O-N 3.41Å; R314-A316 PolarHBondContact O-N 3.45Å; A316-W326 HydrophobicContact CB-CE3 4.29Å; A316-W326 CarbonylContact O-C 3.6Å; A316-W326 VanDerWaalsContact O-CA 3.27Å; A316-W326 WeakPolarHBondContact O-CA 3.01Å; A316-D327 VanDerWaalsContact CB-O 3.26Å; A316-D327 WeakPolarHBondContact CB-O 3.28Å; A316-D327 PolarHBondContact O-N 2.97Å; A316-P330 HydrophobicContact CB-CG 4.44Å; A316-L331 HydrophobicContact CB-CD1 3.63Å; A316-L331 HydrophobicContact CB-CG 4.08Å
317F96.7Very high93.5Very high5 Ų560.3 Ų60.32%0.02229%0.287CS..Hα-helixtrans-94-3.8177.4-73.3-75.9000113.7L2 P3 F26 L66 N89 M115 V313 R314 Q315 T325 W326L2-F317 HydrophobicContact CD2-CB 3.75Å; P3-F317 HydrophobicContact CG-CB 4.31Å; P3-F317 HydrophobicContact CG-CD1 3.73Å; P3-F317 HydrophobicContact CG-CD2 3.95Å; P3-F317 HydrophobicContact CG-CE1 3.98Å; P3-F317 HydrophobicContact CG-CE2 4.21Å; P3-F317 HydrophobicContact CG-CG 3.72Å; P3-F317 HydrophobicContact CG-CZ 4.23Å; F26-F317 HydrophobicContact CE1-CD2 4.32Å; F26-F317 HydrophobicContact CZ-CD2 4.44Å; L66-F317 HydrophobicContact CD2-CE2 4.17Å; N89-F317 HydrophobicContact CB-CZ 4.11Å; M115-F317 HydrophobicContact CE-CE2 3.79Å; M115-F317 HydrophobicContact CE-CZ 4.06Å; M115-F317 HydrophobicContact SD-CE2 3.98Å; M115-F317 HydrophobicContact SD-CZ 4.3Å; V313-F317 HydrophobicContact CG1-CD2 4.08Å; V313-F317 HydrophobicContact CG1-CE2 4.05Å; V313-F317 VanDerWaalsContact O-CD2 3.31Å; V313-F317 WeakPolarHBondContact O-CD2 3.44Å; V313-F317 PolarHBondContact O-N 3.25Å; R314-F317 PolarHBondContact O-N 2.89Å; R314-F317 VanDerWaalsContact O-N 3.16Å; Q315-F317 VanDerWaalsContact C-N 3.32Å; Q315-F317 PolarHBondContact O-N 2.93Å; F317-T325 VanDerWaalsContact CD1-O 3.28Å; F317-T325 WeakPolarHBondContact CD1-O 3.47Å; F317-W326 HydrophobicContact CD1-CB 3.94Å; F317-W326 HydrophobicContact CE1-CB 3.69Å; F317-W326 HydrophobicContact CE1-CG 4.47Å; F317-W326 HydrophobicContact CE2-CB 4.5Å; F317-W326 HydrophobicContact CG-CB 4.45Å; F317-W326 HydrophobicContact CZ-CB 3.98Å
318Q92.4Very high93.6Very high85 Ų8561 Ų6140%0.39730%0.298SS..THydrogen-bonded Turntrans-72.3143.8179.7-166.7173-22.800110.3R314 Q315 Q320R314-Q318 PolarHBondContact O-N 3.11Å; Q315-Q318 PolarHBondContact O-N 3.06Å; Q318-Q320 PolarHBondContact O-N 3.26Å; Q318-Q320 VanDerWaalsContact O-N 3.12Å; Q318-Q320 PolarHBondContact O-NE2 3.27Å
319D88.3Confident93.6Very high146 Ų14667.3 Ų67.378%0.78132%0.32SS*.THydrogen-bonded Turntrans57.825.5176.6-51.4-35.8000114.9
320Q90.9Very high93.6Very high50 Ų5068.3 Ų68.323%0.23433%0.327CS..  trans-92.2141.7173.4-53.9-55.2-54.900111.7Q318 T325Q318-Q320 PolarHBondContact O-N 3.26Å; Q318-Q320 VanDerWaalsContact O-N 3.12Å; Q318-Q320 PolarHBondContact O-NE2 3.27Å; Q320-T325 WeakPolarHBondContact CG-O 3.32Å
321D87.1Confident93.7Very high181 Ų18168.7 Ų68.797%0.96833%0.329SS*.SBendtrans-70.8-33.1-179.3-68-35.7000113
322D90.6Very high93.7Very high84 Ų8471.4 Ų71.445%0.44935%0.35SS..SBendtrans-117.9143.4179.1-173.3-72.3000110.1R324 T325D322-R324 PolarHBondContact O-N 3.18Å; D322-R324 WeakPolarHBondContact OD1-CB 3.44Å; D322-R324 PolarHBondContact OD1-N 2.87Å; D322-T325 PolarHBondContact O-N 2.86Å
323R88.9Confident93.7Very high82 Ų8273.4 Ų73.431%0.30936%0.358SS..THydrogen-bonded Turntrans-64.3-21.9-177.8-68.9-176.5-178.5169.90.8113.6M1 P3 D65M1-R323 PolarHBondContact SD-NH2 3.01Å; P3-R323 WeakPolarHBondContact CB-O 3.18Å; D65-R323 HydrophobicContact CB-CB 4.4Å; D65-R323 WeakPolarHBondContact OD2-CB 3.48Å
324R88.9Confident93.7Very high108 Ų10873.7 Ų73.741%0.40836%0.36SS..THydrogen-bonded Turntrans-92.6-20.2179.3-61179.9-174.7178.45.8112.8D65 N89 D322D65-R324 HydrophobicContact CB-CG 3.95Å; D65-R324 WeakPolarHBondContact OD1-CG 3.42Å; D65-R324 IonicContact OD1-CZ 3.11Å; D65-R324 IonicContact OD1-NE 2.67Å; D65-R324 PolarHBondContact OD1-NE 2.89Å; D65-R324 IonicContact OD1-NH2 2.74Å; N89-R324 PolarHBondContact ND2-O 3.17Å; D322-R324 PolarHBondContact O-N 3.18Å; D322-R324 WeakPolarHBondContact OD1-CB 3.44Å; D322-R324 PolarHBondContact OD1-N 2.87Å
325T92.4Very high93.8Very high70 Ų7069 Ų6943%0.42934%0.343SS..  trans-76.1144.9177.4-56.40000109.7F317 Q320 D322F317-T325 VanDerWaalsContact CD1-O 3.28Å; F317-T325 WeakPolarHBondContact CD1-O 3.47Å; Q320-T325 WeakPolarHBondContact CG-O 3.32Å; D322-T325 PolarHBondContact O-N 2.86Å
326W95.4Very high93.8Very high65 Ų6566 Ų6625%0.24633%0.332CS..  trans-147154.6-17965.5-70.9000110.2K113 M115 A316 F317 G328 L331K113-W326 PolarHBondContact O-NE1 3.22Å; M115-W326 HydrophobicContact CB-CD2 3.79Å; M115-W326 HydrophobicContact CB-CE3 4.25Å; M115-W326 HydrophobicContact CB-CG 4.19Å; M115-W326 HydrophobicContact CB-CH2 4.28Å; M115-W326 HydrophobicContact CB-CZ2 3.83Å; M115-W326 HydrophobicContact CB-CZ3 4.45Å; M115-W326 HydrophobicContact CG-CD2 4.18Å; M115-W326 HydrophobicContact CG-CE3 4.12Å; M115-W326 HydrophobicContact CG-CH2 4.12Å; M115-W326 HydrophobicContact CG-CZ2 4.19Å; M115-W326 HydrophobicContact CG-CZ3 4.06Å; M115-W326 HydrophobicContact SD-CE3 4.32Å; A316-W326 HydrophobicContact CB-CE3 4.29Å; A316-W326 CarbonylContact O-C 3.6Å; A316-W326 VanDerWaalsContact O-CA 3.27Å; A316-W326 WeakPolarHBondContact O-CA 3.01Å; F317-W326 HydrophobicContact CD1-CB 3.94Å; F317-W326 HydrophobicContact CE1-CB 3.69Å; F317-W326 HydrophobicContact CE1-CG 4.47Å; F317-W326 HydrophobicContact CE2-CB 4.5Å; F317-W326 HydrophobicContact CG-CB 4.45Å; F317-W326 HydrophobicContact CZ-CB 3.98Å; W326-G328 VanDerWaalsContact CZ3-CA 3.43Å; W326-L331 HydrophobicContact CE3-CD1 4.07Å; W326-L331 HydrophobicContact CZ3-CB 4.29Å; W326-L331 HydrophobicContact CZ3-CD1 3.97Å
327D95Very high93.8Very high35 Ų3566.1 Ų66.119%0.18733%0.333CS..  trans-96.4126.2170.9179.14000110.1A316 R329 P330A316-D327 VanDerWaalsContact CB-O 3.26Å; A316-D327 WeakPolarHBondContact CB-O 3.28Å; A316-D327 PolarHBondContact O-N 2.97Å; D327-R329 VanDerWaalsContact C-N 3.32Å; D327-R329 PolarHBondContact O-N 3.27Å; D327-R329 WeakPolarHBondContact OD1-CB 3.21Å; D327-R329 WeakPolarHBondContact OD1-CG 3.38Å; D327-R329 PolarHBondContact OD1-N 3.3Å; D327-R329 IonicContact OD1-NE 3.79Å; D327-R329 PolarHBondContact OD1-NE 3.46Å; D327-R329 IonicContact OD2-CZ 2.79Å; D327-R329 IonicContact OD2-NE 3.15Å; D327-R329 PolarHBondContact OD2-NE 3.34Å; D327-R329 IonicContact OD2-NH2 2.83Å; D327-R329 PolarHBondContact OD2-NH2 3.03Å; D327-P330 VanDerWaalsContact O-CD 3.28Å; D327-P330 WeakPolarHBondContact O-CD 3.45Å
328G94.2Very high93.9Very high30 Ų3068.9 Ų68.931%0.30935%0.348SS..SBendtrans-73-18179.800000115.2W326 L331 T332W326-G328 VanDerWaalsContact CZ3-CA 3.43Å; G328-L331 CarbonylContact O-C 3.55Å; G328-L331 PolarHBondContact O-N 3.21Å; G328-T332 PolarHBondContact O-N 3.44Å
329R95.9Very high94.1Very high190 Ų19066.3 Ų66.372%0.71734%0.337SS*.G310 helixtrans-56.6-43.6-173.4-69177.2-65.5173.92.2114.1D327 L331 T332D327-R329 VanDerWaalsContact C-N 3.32Å; D327-R329 PolarHBondContact O-N 3.27Å; D327-R329 WeakPolarHBondContact OD1-CB 3.21Å; D327-R329 WeakPolarHBondContact OD1-CG 3.38Å; D327-R329 PolarHBondContact OD1-N 3.3Å; D327-R329 IonicContact OD1-NE 3.79Å; D327-R329 PolarHBondContact OD1-NE 3.46Å; D327-R329 IonicContact OD2-CZ 2.79Å; D327-R329 IonicContact OD2-NE 3.15Å; D327-R329 PolarHBondContact OD2-NE 3.34Å; D327-R329 IonicContact OD2-NH2 2.83Å; D327-R329 PolarHBondContact OD2-NH2 3.03Å; R329-L331 PolarHBondContact O-N 2.84Å; R329-T332 WeakPolarHBondContact O-CG2 3.19Å; R329-T332 PolarHBondContact O-OG1 2.82Å
330P96Very high94.5Very high27 Ų2759.7 Ų59.718%0.17530%0.302CS..G310 helixtrans-69.5-16.6177.9-2237.1000114Q315 A316 D327Q315-P330 HydrophobicContact CB-CB 3.83Å; Q315-P330 HydrophobicContact CB-CG 3.79Å; A316-P330 HydrophobicContact CB-CG 4.44Å; D327-P330 VanDerWaalsContact O-CD 3.28Å; D327-P330 WeakPolarHBondContact O-CD 3.45Å
331L96.6Very high94.8Very high9 Ų957.7 Ų57.75%0.04729%0.293CS..G310 helixtrans-114.816.4-173.3-67.2173.6000113.1M115 I117 F124 A312 V313 A316 W326 G328 R329 M333 A334M115-L331 HydrophobicContact CG-CD1 4.32Å; M115-L331 HydrophobicContact SD-CD1 3.42Å; M115-L331 WeakPolarHBondContact SD-CD1 3.45Å; I117-L331 HydrophobicContact CD1-CD1 4.32Å; I117-L331 HydrophobicContact CD1-CD2 4.21Å; F124-L331 HydrophobicContact CE1-CD2 4.04Å; F124-L331 HydrophobicContact CZ-CD2 3.96Å; A312-L331 HydrophobicContact CB-CD2 3.76Å; V313-L331 HydrophobicContact CG2-CD1 4.44Å; V313-L331 HydrophobicContact CG2-CD2 4.04Å; A316-L331 HydrophobicContact CB-CD1 3.63Å; A316-L331 HydrophobicContact CB-CG 4.08Å; W326-L331 HydrophobicContact CE3-CD1 4.07Å; W326-L331 HydrophobicContact CZ3-CB 4.29Å; W326-L331 HydrophobicContact CZ3-CD1 3.97Å; G328-L331 CarbonylContact O-C 3.55Å; G328-L331 PolarHBondContact O-N 3.21Å; R329-L331 PolarHBondContact O-N 2.84Å; L331-M333 PolarHBondContact O-N 3.43Å; L331-M333 VanDerWaalsContact O-N 3.15Å; L331-A334 HydrophobicContact CB-CB 4.15Å; L331-A334 HydrophobicContact CD2-CB 4.3Å; L331-A334 WeakPolarHBondContact O-CB 3.32Å; L331-A334 PolarHBondContact O-N 3.46Å
332T95.7Very high95.4Very high115 Ų11549.2 Ų49.271%0.70625%0.247SC*.THydrogen-bonded Turntrans-58.3-27.9177.950.10000113.6G328 R329G328-T332 PolarHBondContact O-N 3.44Å; R329-T332 WeakPolarHBondContact O-CG2 3.19Å; R329-T332 PolarHBondContact O-OG1 2.82Å
333M95.4Very high95.7Very high50 Ų5045.3 Ų45.325%0.24623%0.227CC..THydrogen-bonded Turntrans-86.2-12.8175.868.2-16874.100113.8R123 F124 V129 F186 L331 A335R123-M333 WeakPolarHBondContact CD-O 3.22Å; R123-M333 PolarHBondContact NH1-O 2.85Å; F124-M333 HydrophobicContact CD1-CG 4.16Å; F124-M333 HydrophobicContact CD1-SD 3.96Å; F124-M333 HydrophobicContact CE1-CG 3.92Å; F124-M333 HydrophobicContact CE1-SD 4.26Å; F124-M333 HydrophobicContact CZ-CG 4.27Å; V129-M333 HydrophobicContact CG2-SD 3.87Å; F186-M333 HydrophobicContact CE2-CB 3.81Å; F186-M333 HydrophobicContact CZ-CB 4.04Å; L331-M333 PolarHBondContact O-N 3.43Å; L331-M333 VanDerWaalsContact O-N 3.15Å; M333-A335 PolarHBondContact O-N 3.36Å
334A97.6Very high96.1Very high6 Ų641.5 Ų41.55%0.0521%0.212CC..SBendtrans-61.4137.5-175.700000110.5I117 F124 L331I117-A334 HydrophobicContact CB-CB 4.17Å; I117-A334 HydrophobicContact CD1-CB 4.42Å; I117-A334 HydrophobicContact CG2-CB 3.81Å; F124-A334 HydrophobicContact CE2-CB 4.3Å; F124-A334 HydrophobicContact CZ-CB 3.78Å; L331-A334 HydrophobicContact CB-CB 4.15Å; L331-A334 HydrophobicContact CD2-CB 4.3Å; L331-A334 WeakPolarHBondContact O-CB 3.32Å; L331-A334 PolarHBondContact O-N 3.46Å
335A97.9Very high96.5Very high0 Ų036.7 Ų36.70%020%0.195CC..  trans-69.3144170.500000109.8I117 M118 N120 M333 D339I117-A335 CarbonylContact C-O 3.52Å; I117-A335 WeakPolarHBondContact CA-O 3.45Å; M118-A335 HydrophobicContact CB-CB 4.05Å; M118-A335 PolarHBondContact N-O 3.45Å; N120-A335 HydrophobicContact CB-CB 3.57Å; M333-A335 PolarHBondContact O-N 3.36Å; A335-D339 HydrophobicContact CB-CB 4.01Å
336T97.2Very high96.8Very high49 Ų4933.4 Ų33.430%0.30118%0.175SC..BIsolated β-bridgetrans-106.9177.5-179.264.90000110.8M118 D338 D339 C340M118-T336 WeakPolarHBondContact CG-O 3.37Å; T336-D338 PolarHBondContact O-N 3.23Å; T336-D338 PolarHBondContact OG1-N 3.26Å; T336-D339 PolarHBondContact N-OD2 2.9Å; T336-D339 WeakPolarHBondContact O-CB 3.34Å; T336-D339 PolarHBondContact O-N 3.35Å; T336-D339 PolarHBondContact OG1-N 2.85Å; T336-D339 PolarHBondContact OG1-OD2 3.36Å; T336-C340 PolarHBondContact O-N 3.4Å; T336-C340 VanDerWaalsContact O-N 3.17Å
337F97.5Very high96.9Very high1 Ų130.4 Ų30.40%0.00416%0.164CC..Hα-helixtrans-65.2-29.2174.3-68.4-0.6000112A80 L84 V90 C92 M104 T105 A108 M118 C340 L341A80-F337 HydrophobicContact CB-CE2 4.32Å; A80-F337 HydrophobicContact CB-CZ 4.15Å; L84-F337 HydrophobicContact CD1-CD2 4.47Å; L84-F337 HydrophobicContact CD1-CE2 3.83Å; V90-F337 HydrophobicContact CG1-CE2 4.2Å; V90-F337 HydrophobicContact CG1-CZ 3.65Å; C92-F337 HydrophobicContact CB-CE1 3.64Å; C92-F337 HydrophobicContact CB-CZ 3.89Å; M104-F337 VanDerWaalsContact C-CD2 3.49Å; M104-F337 HydrophobicContact CB-CB 4.49Å; M104-F337 HydrophobicContact CB-CD2 3.58Å; M104-F337 HydrophobicContact CB-CE2 3.87Å; M104-F337 HydrophobicContact CB-CG 4.13Å; M104-F337 HydrophobicContact CE-CD1 3.99Å; M104-F337 HydrophobicContact CE-CD2 4.21Å; M104-F337 HydrophobicContact CE-CE1 3.7Å; M104-F337 HydrophobicContact CE-CE2 3.9Å; M104-F337 HydrophobicContact CE-CG 4.22Å; M104-F337 HydrophobicContact CE-CZ 3.62Å; M104-F337 WeakPolarHBondContact O-CD2 3.44Å; T105-F337 PolarHBondContact OG1-O 3.49Å; T105-F337 VanDerWaalsContact OG1-O 3.04Å; A108-F337 HydrophobicContact CB-CD2 3.77Å; A108-F337 HydrophobicContact CB-CE2 4.47Å; A108-F337 HydrophobicContact CB-CG 4.43Å; M118-F337 HydrophobicContact CG-CD1 3.93Å; M118-F337 HydrophobicContact CG-CE1 4.44Å; M118-F337 HydrophobicContact SD-CD1 3.27Å; M118-F337 WeakPolarHBondContact SD-CD1 3.28Å; M118-F337 HydrophobicContact SD-CE1 3.49Å; M118-F337 WeakPolarHBondContact SD-CE1 3.5Å; M118-F337 HydrophobicContact SD-CG 4.39Å; F337-C340 PolarHBondContact O-N 3.11Å; F337-L341 WeakPolarHBondContact O-CB 3.46Å; F337-L341 PolarHBondContact O-N 3.23Å
338D97.2Very high97Very high64 Ų6431.9 Ų31.934%0.34217%0.172SC..Hα-helixtrans-61.5-42.3170.7-66.6-88.8000112.4T105 H109 T336 C340 L341 Y342T105-D338 VanDerWaalsContact CG2-OD1 3.23Å; T105-D338 WeakPolarHBondContact CG2-OD1 3.47Å; H109-D338 IonicContact CD2-OD2 3.06Å; H109-D338 IonicContact CE1-OD1 3.19Å; H109-D338 PolarHBondContact CE1-OD1 3.35Å; H109-D338 IonicContact CE1-OD2 3.71Å; H109-D338 IonicContact NE2-OD1 3.72Å; H109-D338 PolarHBondContact NE2-OD1 2.99Å; H109-D338 VanDerWaalsContact NE2-OD1 3.15Å; H109-D338 IonicContact NE2-OD2 2.71Å; H109-D338 PolarHBondContact NE2-OD2 3.29Å; T336-D338 PolarHBondContact O-N 3.23Å; T336-D338 PolarHBondContact OG1-N 3.26Å; D338-C340 VanDerWaalsContact C-N 3.34Å; D338-L341 PolarHBondContact O-N 2.84Å; D338-Y342 WeakPolarHBondContact O-CB 2.94Å; D338-Y342 PolarHBondContact O-N 3.45Å
339D97.6Very high97.2Very high30 Ų3030.4 Ų30.416%0.1616%0.157CC..Hα-helixtrans-64-40.8176.3-62.4-78.6000111.1R123 A335 T336 Y342 A343R123-D339 IonicContact CZ-OD1 3.86Å; R123-D339 IonicContact NH1-OD1 2.75Å; R123-D339 VanDerWaalsContact NH2-CG 3.27Å; R123-D339 IonicContact NH2-OD1 3Å; R123-D339 PolarHBondContact NH2-OD1 2.88Å; R123-D339 IonicContact NH2-OD2 3.88Å; A335-D339 HydrophobicContact CB-CB 4.01Å; T336-D339 PolarHBondContact N-OD2 2.9Å; T336-D339 WeakPolarHBondContact O-CB 3.34Å; T336-D339 PolarHBondContact O-N 3.35Å; T336-D339 PolarHBondContact OG1-N 2.85Å; T336-D339 PolarHBondContact OG1-OD2 3.36Å; D339-Y342 PolarHBondContact O-N 3.12Å; D339-A343 WeakPolarHBondContact O-CB 3.3Å; D339-A343 PolarHBondContact O-N 3.08Å
340C97.2Very high97.3Very high7 Ų721.4 Ų21.45%0.04712%0.123CC..Hα-helixtrans-63.5-45.8175.2-177.40000112.2M118 T336 F337 D338 Y342 A343 L344M118-C340 HydrophobicContact CE-CB 3.74Å; M118-C340 HydrophobicContact CG-CB 3.85Å; M118-C340 HydrophobicContact SD-CB 3.77Å; T336-C340 PolarHBondContact O-N 3.4Å; T336-C340 VanDerWaalsContact O-N 3.17Å; F337-C340 PolarHBondContact O-N 3.11Å; D338-C340 VanDerWaalsContact C-N 3.34Å; C340-Y342 VanDerWaalsContact C-N 3.33Å; C340-Y342 PolarHBondContact O-N 3.46Å; C340-A343 PolarHBondContact O-N 3.13Å; C340-L344 WeakPolarHBondContact O-CB 3.34Å; C340-L344 WeakPolarHBondContact O-CG 3.41Å; C340-L344 PolarHBondContact O-N 3.3Å
341L97.6Very high97.4Very high8 Ų821.3 Ų21.34%0.04212%0.12CC..Hα-helixtrans-57.3-49176.1172.259.1000110.7P98 A101 F102 F337 D338 L344 C345 I364 M365P98-L341 HydrophobicContact CB-CD1 4.4Å; P98-L341 WeakPolarHBondContact O-CD1 3.47Å; A101-L341 HydrophobicContact CB-CB 3.98Å; A101-L341 HydrophobicContact CB-CD1 4.17Å; F102-L341 HydrophobicContact CB-CD1 4.01Å; F102-L341 HydrophobicContact CB-CD2 4.38Å; F102-L341 HydrophobicContact CD2-CD2 4.13Å; F337-L341 WeakPolarHBondContact O-CB 3.46Å; F337-L341 PolarHBondContact O-N 3.23Å; D338-L341 PolarHBondContact O-N 2.84Å; L341-L344 PolarHBondContact O-N 2.96Å; L341-C345 PolarHBondContact O-N 2.84Å; L341-C345 PolarHBondContact O-SG 3.43Å; L341-I364 HydrophobicContact CD2-CG2 4.35Å; L341-I364 HydrophobicContact CG-CG2 4.28Å; L341-M365 HydrophobicContact CD1-CB 4.2Å
342Y97.8Very high97.5Very high4 Ų424.9 Ų24.92%0.01613%0.133CC..Hα-helixtrans-57.7-53177.2163.1-99.9000111.7I181 T185 K191 A192 D338 D339 C340 L344 C345 V346 I364I181-Y342 HydrophobicContact CG2-CD1 4.45Å; I181-Y342 HydrophobicContact CG2-CE1 3.73Å; T185-Y342 HydrophobicContact CG2-CE1 4.12Å; T185-Y342 WeakPolarHBondContact OG1-CE1 3.39Å; T185-Y342 PolarHBondContact OG1-OH 3.27Å; K191-Y342 HydrophobicContact CB-CE2 3.73Å; K191-Y342 HydrophobicContact CD-CD2 3.85Å; K191-Y342 HydrophobicContact CD-CE2 3.9Å; K191-Y342 HydrophobicContact CD-CG 4.44Å; K191-Y342 HydrophobicContact CG-CD2 4.19Å; K191-Y342 HydrophobicContact CG-CE2 3.77Å; A192-Y342 PolarHBondContact N-OH 3.45Å; D338-Y342 WeakPolarHBondContact O-CB 2.94Å; D338-Y342 PolarHBondContact O-N 3.45Å; D339-Y342 PolarHBondContact O-N 3.12Å; C340-Y342 VanDerWaalsContact C-N 3.33Å; C340-Y342 PolarHBondContact O-N 3.46Å; Y342-L344 VanDerWaalsContact C-N 3.28Å; Y342-L344 PolarHBondContact O-N 3.37Å; Y342-C345 WeakPolarHBondContact O-CB 3.31Å; Y342-C345 PolarHBondContact O-N 3.42Å; Y342-C345 VanDerWaalsContact O-N 3.13Å; Y342-V346 HydrophobicContact CD2-CG2 4.17Å; Y342-V346 HydrophobicContact CE1-CG2 4.22Å; Y342-V346 HydrophobicContact CE2-CG2 3.63Å; Y342-V346 WeakPolarHBondContact O-CG2 3.38Å; Y342-V346 PolarHBondContact O-N 3.39Å; Y342-I364 HydrophobicContact CD2-CD1 3.61Å; Y342-I364 HydrophobicContact CD2-CG1 4.29Å; Y342-I364 HydrophobicContact CE2-CD1 4.32Å
343A97.9Very high97.6Very high2 Ų219.4 Ų19.42%0.01710%0.099CC..Hα-helixtrans-59.5-39.6-178.300000111.9I181 D339 C340 V346 V347I181-A343 HydrophobicContact CB-CB 4.49Å; I181-A343 HydrophobicContact CG2-CB 4.17Å; D339-A343 WeakPolarHBondContact O-CB 3.3Å; D339-A343 PolarHBondContact O-N 3.08Å; C340-A343 PolarHBondContact O-N 3.13Å; A343-V346 PolarHBondContact O-N 3.1Å; A343-V347 WeakPolarHBondContact O-CG2 3.31Å; A343-V347 PolarHBondContact O-N 3.36Å
344L97.2Very high97.7Very high2 Ų218.5 Ų18.51%0.0110%0.098CC..Hα-helixtrans-70.2-37.1177.2-72173.3000112.7T95 P98 A101 H174 T178 C340 L341 Y342 V346 V347 D348T95-L344 HydrophobicContact CG2-CD1 3.77Å; T95-L344 WeakPolarHBondContact O-CD1 3.45Å; P98-L344 HydrophobicContact CB-CB 4.49Å; P98-L344 HydrophobicContact CG-CB 4.01Å; A101-L344 HydrophobicContact CB-CD1 3.86Å; H174-L344 VanDerWaalsContact NE2-CD2 3.33Å; H174-L344 WeakPolarHBondContact NE2-CD2 2.9Å; T178-L344 HydrophobicContact CG2-CD2 3.93Å; C340-L344 WeakPolarHBondContact O-CB 3.34Å; C340-L344 WeakPolarHBondContact O-CG 3.41Å; C340-L344 PolarHBondContact O-N 3.3Å; L341-L344 PolarHBondContact O-N 2.96Å; Y342-L344 VanDerWaalsContact C-N 3.28Å; Y342-L344 PolarHBondContact O-N 3.37Å; L344-V346 VanDerWaalsContact C-N 3.3Å; L344-V346 PolarHBondContact O-N 3.27Å; L344-V347 PolarHBondContact O-N 2.92Å; L344-D348 WeakPolarHBondContact O-CB 3.39Å; L344-D348 PolarHBondContact O-N 3.4Å
345C97.7Very high97.7Very high7 Ų726 Ų265%0.04713%0.131CC..Hα-helixtrans-60.5-41171.3-79.90000111.3L341 Y342 D348 T349 I364L341-C345 PolarHBondContact O-N 2.84Å; L341-C345 PolarHBondContact O-SG 3.43Å; Y342-C345 WeakPolarHBondContact O-CB 3.31Å; Y342-C345 PolarHBondContact O-N 3.42Å; Y342-C345 VanDerWaalsContact O-N 3.13Å; C345-D348 PolarHBondContact O-N 3.43Å; C345-T349 WeakPolarHBondContact O-CB 3.33Å; C345-T349 PolarHBondContact O-N 3.12Å; C345-T349 PolarHBondContact O-OG1 3.28Å; C345-I364 HydrophobicContact CB-CD1 3.57Å
346V98.4Very high97.7Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-63.9-48.6174.9177.50000110.6I181 V195 M225 Y342 A343 L344 D348 T349 I350 I362I181-V346 HydrophobicContact CD1-CB 4.1Å; I181-V346 HydrophobicContact CD1-CG1 3.69Å; I181-V346 HydrophobicContact CG1-CG1 4.12Å; I181-V346 HydrophobicContact CG2-CB 4.08Å; I181-V346 HydrophobicContact CG2-CG1 4.1Å; I181-V346 HydrophobicContact CG2-CG2 4.17Å; V195-V346 HydrophobicContact CG1-CG1 4.01Å; M225-V346 HydrophobicContact SD-CG1 3.98Å; Y342-V346 HydrophobicContact CD2-CG2 4.17Å; Y342-V346 HydrophobicContact CE1-CG2 4.22Å; Y342-V346 HydrophobicContact CE2-CG2 3.63Å; Y342-V346 WeakPolarHBondContact O-CG2 3.38Å; Y342-V346 PolarHBondContact O-N 3.39Å; A343-V346 PolarHBondContact O-N 3.1Å; L344-V346 VanDerWaalsContact C-N 3.3Å; L344-V346 PolarHBondContact O-N 3.27Å; V346-D348 VanDerWaalsContact C-N 3.33Å; V346-D348 PolarHBondContact O-N 3.41Å; V346-T349 CarbonylContact O-C 3.57Å; V346-T349 WeakPolarHBondContact O-CA 3.44Å; V346-T349 WeakPolarHBondContact O-CB 3.38Å; V346-T349 PolarHBondContact O-N 3.22Å; V346-T349 VanDerWaalsContact O-N 3.09Å; V346-I350 HydrophobicContact CG1-CD1 3.87Å; V346-I350 HydrophobicContact CG1-CG1 4.35Å; V346-I350 WeakPolarHBondContact O-CG1 3.44Å; V346-I350 PolarHBondContact O-N 3.15Å; V346-I362 HydrophobicContact CG1-CD1 4.33Å; V346-I362 HydrophobicContact CG2-CD1 3.8Å; V346-I362 HydrophobicContact CG2-CG1 4.33Å; V346-I362 HydrophobicContact CG2-CG2 4.17Å
347V97.8Very high97.7Very high3 Ų329.6 Ų29.62%0.01816%0.164CC..Hα-helixtrans-54-48.9175.9162.60000111.6L173 T178 I181 A343 L344 T349 I350 K351L173-V347 HydrophobicContact CD1-CG2 4.23Å; L173-V347 HydrophobicContact CD2-CB 4.48Å; L173-V347 HydrophobicContact CD2-CG1 3.9Å; L173-V347 HydrophobicContact CG-CB 4.45Å; L173-V347 HydrophobicContact CG-CG1 3.97Å; L173-V347 HydrophobicContact CG-CG2 4.07Å; T178-V347 HydrophobicContact CG2-CG2 3.76Å; I181-V347 HydrophobicContact CD1-CG2 3.74Å; A343-V347 WeakPolarHBondContact O-CG2 3.31Å; A343-V347 PolarHBondContact O-N 3.36Å; L344-V347 PolarHBondContact O-N 2.92Å; V347-T349 VanDerWaalsContact C-N 3.26Å; V347-T349 PolarHBondContact O-N 3.04Å; V347-I350 PolarHBondContact O-N 3.41Å; V347-K351 HydrophobicContact CG1-CD 4.48Å; V347-K351 WeakPolarHBondContact O-CG 3.44Å; V347-K351 PolarHBondContact O-N 2.84Å
348D97Very high97.7Very high65 Ų6535.4 Ų35.435%0.34819%0.191SC..Hα-helixtrans-64.6-34.4-179.5-154.959.3000111.6P98 L344 C345 V346 K351 R352P98-D348 HydrophobicContact CG-CB 4.03Å; L344-D348 WeakPolarHBondContact O-CB 3.39Å; L344-D348 PolarHBondContact O-N 3.4Å; C345-D348 PolarHBondContact O-N 3.43Å; V346-D348 VanDerWaalsContact C-N 3.33Å; V346-D348 PolarHBondContact O-N 3.41Å; D348-K351 PolarHBondContact O-N 3.46Å; D348-R352 WeakPolarHBondContact O-CG 3.38Å; D348-R352 PolarHBondContact O-N 3.19Å; D348-R352 PolarHBondContact O-NH1 2.96Å; D348-R352 IonicContact OD2-NH1 3.65Å; D348-R352 PolarHBondContact OD2-NH1 3.03Å
349T98.2Very high97.7Very high0 Ų037.4 Ų37.40%019%0.194CC..Hα-helixtrans-68.8-39.3174.4-52.10000112.1V195 C345 V346 V347 K351 R352 S353 Q360 N361 I362V195-T349 HydrophobicContact CG2-CG2 3.54Å; C345-T349 WeakPolarHBondContact O-CB 3.33Å; C345-T349 PolarHBondContact O-N 3.12Å; C345-T349 PolarHBondContact O-OG1 3.28Å; V346-T349 CarbonylContact O-C 3.57Å; V346-T349 WeakPolarHBondContact O-CA 3.44Å; V346-T349 WeakPolarHBondContact O-CB 3.38Å; V346-T349 PolarHBondContact O-N 3.22Å; V346-T349 VanDerWaalsContact O-N 3.09Å; V347-T349 VanDerWaalsContact C-N 3.26Å; V347-T349 PolarHBondContact O-N 3.04Å; T349-K351 VanDerWaalsContact C-N 3.35Å; T349-R352 PolarHBondContact O-N 2.88Å; T349-R352 PolarHBondContact OG1-NH2 3.12Å; T349-S353 PolarHBondContact O-N 2.9Å; T349-Q360 HydrophobicContact CG2-CB 3.48Å; T349-Q360 VanDerWaalsContact CG2-CB 3.48Å; T349-N361 WeakPolarHBondContact CG2-O 3.39Å; T349-I362 HydrophobicContact CG2-CG1 4.08Å
350I98.5Very high97.8Very high0 Ų037.9 Ų37.90%020%0.196CC..Hα-helixtrans-63.7-42173.6-64.7164.4000110.1L173 I181 V195 L199 F223 V346 V347 R352 S353 S354L173-I350 HydrophobicContact CD1-CD1 3.96Å; L173-I350 HydrophobicContact CD1-CG2 4.41Å; L173-I350 HydrophobicContact CD2-CB 3.99Å; L173-I350 HydrophobicContact CD2-CG2 3.81Å; I181-I350 HydrophobicContact CD1-CD1 4.16Å; V195-I350 HydrophobicContact CB-CG1 3.87Å; V195-I350 HydrophobicContact CG1-CG1 4.06Å; V195-I350 HydrophobicContact CG2-CB 4.49Å; V195-I350 HydrophobicContact CG2-CG1 3.75Å; L199-I350 HydrophobicContact CD1-CG2 3.89Å; F223-I350 HydrophobicContact CB-CD1 4.17Å; F223-I350 HydrophobicContact CB-CG1 4.35Å; F223-I350 HydrophobicContact CB-CG2 3.85Å; F223-I350 HydrophobicContact CD1-CD1 4.16Å; F223-I350 HydrophobicContact CD2-CD1 3.58Å; F223-I350 HydrophobicContact CD2-CG1 4.44Å; F223-I350 HydrophobicContact CE1-CD1 4.42Å; F223-I350 HydrophobicContact CE2-CD1 3.89Å; F223-I350 HydrophobicContact CG-CD1 3.72Å; F223-I350 HydrophobicContact CG-CG1 4.42Å; F223-I350 HydrophobicContact CG-CG2 4.35Å; F223-I350 HydrophobicContact CZ-CD1 4.29Å; V346-I350 HydrophobicContact CG1-CD1 3.87Å; V346-I350 HydrophobicContact CG1-CG1 4.35Å; V346-I350 WeakPolarHBondContact O-CG1 3.44Å; V346-I350 PolarHBondContact O-N 3.15Å; V347-I350 PolarHBondContact O-N 3.41Å; I350-R352 PolarHBondContact O-N 2.62Å; I350-S353 WeakPolarHBondContact O-CB 3.4Å; I350-S353 PolarHBondContact O-N 3.47Å; I350-S354 PolarHBondContact O-N 3.29Å
351K97.4Very high97.8Very high25 Ų2543.2 Ų43.211%0.10922%0.224CC..Hα-helixtrans-58.8-46.2175.1-71.4179.8176.2-165.60111.8D166 L173 L199 V347 D348 T349 S354 Q355D166-K351 PolarHBondContact O-NZ 3.47Å; D166-K351 WeakPolarHBondContact OD1-CE 3.43Å; D166-K351 IonicContact OD1-NZ 3.8Å; D166-K351 PolarHBondContact OD1-NZ 3.28Å; D166-K351 IonicContact OD2-NZ 3.86Å; D166-K351 PolarHBondContact OD2-NZ 3.08Å; L173-K351 HydrophobicContact CD2-CG 4.07Å; L199-K351 HydrophobicContact CD2-CG 4.14Å; V347-K351 HydrophobicContact CG1-CD 4.48Å; V347-K351 WeakPolarHBondContact O-CG 3.44Å; V347-K351 PolarHBondContact O-N 2.84Å; D348-K351 PolarHBondContact O-N 3.46Å; T349-K351 VanDerWaalsContact C-N 3.35Å; K351-S354 PolarHBondContact O-N 3.46Å; K351-Q355 WeakPolarHBondContact O-CG 3.3Å; K351-Q355 PolarHBondContact O-N 3.05Å
352R97.6Very high97.8Very high85 Ų8544.2 Ų44.232%0.32123%0.228SC..Hα-helixtrans-60.2-45.1174-70.2-168.9-57.6-85.22.2111.6D348 T349 I350 S354 Q355 T356D348-R352 WeakPolarHBondContact O-CG 3.38Å; D348-R352 PolarHBondContact O-N 3.19Å; D348-R352 PolarHBondContact O-NH1 2.96Å; D348-R352 IonicContact OD2-NH1 3.65Å; D348-R352 PolarHBondContact OD2-NH1 3.03Å; T349-R352 PolarHBondContact O-N 2.88Å; T349-R352 PolarHBondContact OG1-NH2 3.12Å; I350-R352 PolarHBondContact O-N 2.62Å; R352-S354 VanDerWaalsContact C-N 3.31Å; R352-S354 PolarHBondContact O-N 3.21Å; R352-Q355 WeakPolarHBondContact O-CB 3.38Å; R352-Q355 PolarHBondContact O-N 3.32Å; R352-T356 PolarHBondContact O-N 3.17Å; R352-T356 PolarHBondContact O-OG1 3.09Å
353S98.6Very high97.6Very high0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-58.2-42176.7178.40000112.4H196 G197 T349 I350 Q355 T356 G357 E358H196-S353 VanDerWaalsContact CA-OG 3.26Å; H196-S353 WeakPolarHBondContact CA-OG 3.46Å; G197-S353 PolarHBondContact N-OG 3.05Å; G197-S353 VanDerWaalsContact N-OG 3.1Å; T349-S353 PolarHBondContact O-N 2.9Å; I350-S353 WeakPolarHBondContact O-CB 3.4Å; I350-S353 PolarHBondContact O-N 3.47Å; S353-Q355 PolarHBondContact O-N 3.3Å; S353-T356 PolarHBondContact O-N 3.1Å; S353-T356 PolarHBondContact O-OG1 3.27Å; S353-G357 WeakPolarHBondContact O-CA 3.27Å; S353-G357 PolarHBondContact O-N 3.04Å; S353-E358 WeakPolarHBondContact CB-O 3.47Å; S353-E358 PolarHBondContact OG-O 3.45Å
354S98.2Very high97.4Very high31 Ų3150.3 Ų50.322%0.21727%0.271CS..Hα-helixtrans-65.8-25.8176.9-179.20000113.7G197 L199 I350 K351 R352G197-S354 WeakPolarHBondContact O-CA 3.32Å; G197-S354 WeakPolarHBondContact O-CB 3.08Å; G197-S354 PolarHBondContact O-N 3.26Å; L199-S354 PolarHBondContact N-OG 3.11Å; I350-S354 PolarHBondContact O-N 3.29Å; K351-S354 PolarHBondContact O-N 3.46Å; R352-S354 VanDerWaalsContact C-N 3.31Å; R352-S354 PolarHBondContact O-N 3.21Å
355Q97.1Very high97Very high162 Ų16252.4 Ų52.476%0.75728%0.281SS*.Hα-helixtrans-81.6-39.8177.2-68.6170.40.900111.4K351 R352 S353K351-Q355 WeakPolarHBondContact O-CG 3.3Å; K351-Q355 PolarHBondContact O-N 3.05Å; R352-Q355 WeakPolarHBondContact O-CB 3.38Å; R352-Q355 PolarHBondContact O-N 3.32Å; S353-Q355 PolarHBondContact O-N 3.3Å
356T97.5Very high96.6Very high73 Ų7357.5 Ų57.545%0.44831%0.312SS..Hα-helixtrans-85.1-25.7-177.959.30000113.2R352 S353 E358 Q360R352-T356 PolarHBondContact O-N 3.17Å; R352-T356 PolarHBondContact O-OG1 3.09Å; S353-T356 PolarHBondContact O-N 3.1Å; S353-T356 PolarHBondContact O-OG1 3.27Å; T356-E358 VanDerWaalsContact C-N 3.25Å; T356-E358 PolarHBondContact OG1-N 3.4Å; T356-Q360 PolarHBondContact OG1-NE2 3.41Å
357G96.9Very high96Very high53 Ų5364.8 Ų64.855%0.54635%0.346SS..THydrogen-bonded Turntrans7415-17100000113.6S353S353-G357 WeakPolarHBondContact O-CA 3.27Å; S353-G357 PolarHBondContact O-N 3.04Å
358E97.9Very high95.3Very high123 Ų12369 Ų6958%0.57537%0.365SS*.SBendtrans-119.8155.5-173.4-63.7-178.1165.700111.8S353 T356 Q360S353-E358 WeakPolarHBondContact CB-O 3.47Å; S353-E358 PolarHBondContact OG-O 3.45Å; T356-E358 VanDerWaalsContact C-N 3.25Å; T356-E358 PolarHBondContact OG1-N 3.4Å; E358-Q360 PolarHBondContact O-N 3.48Å
359W98.5Very high94.2Very high105 Ų10568.9 Ų68.940%0.39837%0.368SS..  trans-60.7136.7166.2-77.386.1000110K194 V195 H196 Q224 V226K194-W359 HydrophobicContact CB-CE3 4.2Å; K194-W359 HydrophobicContact CD-CD2 4.47Å; K194-W359 HydrophobicContact CD-CE3 3.89Å; K194-W359 HydrophobicContact CD-CZ3 4.45Å; K194-W359 HydrophobicContact CG-CE3 3.77Å; K194-W359 HydrophobicContact CG-CZ3 4.06Å; V195-W359 CarbonylContact O-C 3.59Å; V195-W359 WeakPolarHBondContact O-CA 3.47Å; H196-W359 HydrophobicContact CB-CD2 3.46Å; H196-W359 VanDerWaalsContact CB-CD2 3.46Å; H196-W359 VanDerWaalsContact CB-CE2 3.49Å; H196-W359 HydrophobicContact CB-CE3 3.71Å; H196-W359 HydrophobicContact CB-CG 3.92Å; H196-W359 HydrophobicContact CB-CH2 4.03Å; H196-W359 HydrophobicContact CB-CZ2 3.79Å; H196-W359 HydrophobicContact CB-CZ3 3.99Å; Q224-W359 HydrophobicContact CB-CH2 3.73Å; Q224-W359 HydrophobicContact CB-CZ2 4.36Å; Q224-W359 HydrophobicContact CB-CZ3 4.48Å; V226-W359 HydrophobicContact CG2-CH2 4.08Å; V226-W359 HydrophobicContact CG2-CZ3 3.97Å
360Q98.5Very high92.6Very high41 Ų4177.9 Ų77.919%0.19241%0.411CS..EExtended strand (participates in β ladder)trans-123.6131.9-179.1-64.1-64.1-55.200109.7K194 V195 T349 T356 E358K194-Q360 CarbonylContact C-O 3.08Å; K194-Q360 WeakPolarHBondContact CA-O 3.36Å; K194-Q360 WeakPolarHBondContact CB-O 3.36Å; V195-Q360 HydrophobicContact CG2-CB 4.45Å; V195-Q360 PolarHBondContact N-O 3.4Å; V195-Q360 PolarHBondContact O-N 3.04Å; T349-Q360 HydrophobicContact CG2-CB 3.48Å; T349-Q360 VanDerWaalsContact CG2-CB 3.48Å; T356-Q360 PolarHBondContact OG1-NE2 3.41Å; E358-Q360 PolarHBondContact O-N 3.48Å
361N98.3Very high90.8Very high119 Ų11982.3 Ų82.364%0.63643%0.434SS*.EExtended strand (participates in β ladder)trans-73.9141.8171.7-65.6-35.1000109.7V193 T349V193-N361 WeakPolarHBondContact O-CA 3.31Å; T349-N361 WeakPolarHBondContact CG2-O 3.39Å
362I97.1Very high88.7Confident28 Ų2883.8 Ų83.814%0.14445%0.447CS..  trans-82.9130.9177.4-65.9157.8000108.8A192 V193 V195 V346 T349 I364A192-I362 HydrophobicContact CB-CD1 3.2Å; A192-I362 WeakPolarHBondContact O-CD1 3.29Å; V193-I362 PolarHBondContact O-N 2.87Å; V195-I362 HydrophobicContact CG1-CD1 3.7Å; V195-I362 HydrophobicContact CG1-CG1 4.14Å; V346-I362 HydrophobicContact CG1-CD1 4.33Å; V346-I362 HydrophobicContact CG2-CD1 3.8Å; V346-I362 HydrophobicContact CG2-CG1 4.33Å; V346-I362 HydrophobicContact CG2-CG2 4.17Å; T349-I362 HydrophobicContact CG2-CG1 4.08Å; I362-I364 HydrophobicContact CG2-CD1 3.51Å; I362-I364 HydrophobicContact CG2-CG1 4.41Å
363A93.9Very high86.5Confident73 Ų7384.5 Ų84.560%0.60346%0.463SS*.  trans-120.8121.2169.700000108.4
364I92.7Very high84.4Confident61 Ų6188 Ų8831%0.31349%0.491SS..  trans-86.6136.2176.3-50.8-51.5000108.5L341 Y342 C345 I362 T366L341-I364 HydrophobicContact CD2-CG2 4.35Å; L341-I364 HydrophobicContact CG-CG2 4.28Å; Y342-I364 HydrophobicContact CD2-CD1 3.61Å; Y342-I364 HydrophobicContact CD2-CG1 4.29Å; Y342-I364 HydrophobicContact CE2-CD1 4.32Å; C345-I364 HydrophobicContact CB-CD1 3.57Å; I362-I364 HydrophobicContact CG2-CD1 3.51Å; I362-I364 HydrophobicContact CG2-CG1 4.41Å; I364-T366 PolarHBondContact O-N 3.41Å
365M90Very high82.4Confident46 Ų4688.1 Ų88.123%0.22749%0.487CS..  trans-68121.3179-165.2176.4-49.800110P98 L99 F102 L341 E367P98-M365 HydrophobicContact CB-CE 3.62Å; L99-M365 HydrophobicContact CB-CE 4.09Å; L99-M365 HydrophobicContact CB-SD 4.14Å; L99-M365 HydrophobicContact CD1-SD 3.94Å; F102-M365 HydrophobicContact CB-CG 4.34Å; F102-M365 HydrophobicContact CB-SD 3.66Å; F102-M365 HydrophobicContact CD1-SD 4.44Å; F102-M365 HydrophobicContact CD2-CB 4.2Å; F102-M365 HydrophobicContact CD2-CG 3.92Å; F102-M365 HydrophobicContact CD2-SD 4.27Å; F102-M365 HydrophobicContact CG-CG 4.13Å; F102-M365 HydrophobicContact CG-SD 3.85Å; L341-M365 HydrophobicContact CD1-CB 4.2Å; M365-E367 VanDerWaalsContact CG-O 3.24Å; M365-E367 WeakPolarHBondContact CG-O 3.35Å
366T88.6Confident80.5Confident115 Ų11584.4 Ų84.471%0.70647%0.472SS*.  trans-109-17.8177.753.90000112.7F102 I364F102-T366 VanDerWaalsContact CE2-C 3.43Å; F102-T366 WeakPolarHBondContact CE2-O 3.4Å; I364-T366 PolarHBondContact O-N 3.41Å
367E86.7Confident78.5Confident152 Ų15285.4 Ų85.471%0.7147%0.474SS*.SBendtrans-137.3149.4-178.8-64-179.4-175.700109.5M365 P369M365-E367 VanDerWaalsContact CG-O 3.24Å; M365-E367 WeakPolarHBondContact CG-O 3.35Å; E367-P369 WeakPolarHBondContact O-CD 3.31Å
368E82.9Confident76.7Confident91 Ų9184.2 Ų84.243%0.42546%0.457SS..PPolyproline II helixtrans-68.8120.6171.9-179.5155.5-158.600108.5L99 F102 R103 E370L99-E368 HydrophobicContact CD1-CG 4Å; F102-E368 HydrophobicContact CD1-CB 4.25Å; F102-E368 HydrophobicContact CE1-CB 3.77Å; R103-E368 IonicContact CZ-OE1 3.51Å; R103-E368 IonicContact NE-OE1 3.55Å; R103-E368 PolarHBondContact NE-OE1 2.99Å; R103-E368 IonicContact NH2-OE1 3.75Å; R103-E368 PolarHBondContact NH2-OE1 3.17Å; E368-E370 PolarHBondContact O-N 2.92Å
369P73.8Confident75Confident63 Ų6379.6 Ų79.641%0.40944%0.436SS..PPolyproline II helixtrans-62.1140179.724.5-31.5000109.6L99 E367 L371L99-P369 HydrophobicContact CD1-CG 4.49Å; L99-P369 HydrophobicContact CD2-CG 3.95Å; E367-P369 WeakPolarHBondContact O-CD 3.31Å; P369-L371 PolarHBondContact O-N 3.45Å; P369-L371 VanDerWaalsContact O-N 3.15Å
370E63.4Low73.1Confident190 Ų19077.2 Ų77.289%0.88844%0.438SS*.PPolyproline II helixtrans-50.3126.7169.1-72.3-171.6166.800108.6E368 S372E368-E370 PolarHBondContact O-N 2.92Å; E370-S372 VanDerWaalsContact C-N 3.28Å; E370-S372 PolarHBondContact O-N 3.17Å
371L60.5Low71.1Confident93 Ų9379.8 Ų79.849%0.48745%0.452SS..  trans-58.489.4-173.8-78.2164.5000110.3P369 Y375 L376P369-L371 PolarHBondContact O-N 3.45Å; P369-L371 VanDerWaalsContact O-N 3.15Å; L371-Y375 HydrophobicContact CD2-CD1 3.64Å; L371-Y375 HydrophobicContact CD2-CE1 3.92Å; L371-L376 HydrophobicContact CB-CG 4.45Å; L371-L376 HydrophobicContact CD2-CD2 4.08Å; L371-L376 HydrophobicContact CD2-CG 4.49Å
372S55Low69.4Low56 Ų5675 Ų7539%0.39243%0.425SS..  trans-69.9149.1176.776.90000109.4E370 A374 Y375 L376E370-S372 VanDerWaalsContact C-N 3.28Å; E370-S372 PolarHBondContact O-N 3.17Å; S372-A374 PolarHBondContact O-N 2.8Å; S372-A374 VanDerWaalsContact O-N 3.16Å; S372-Y375 WeakPolarHBondContact O-CB 3.31Å; S372-Y375 PolarHBondContact O-N 2.68Å; S372-Y375 PolarHBondContact OG-N 2.86Å; S372-L376 PolarHBondContact O-N 3.38Å; S372-L376 VanDerWaalsContact O-N 3.08Å
373P50.7Low67.4Low100 Ų10080.9 Ų80.965%0.64945%0.445SS*.Hα-helixtrans-53.8-36.2176-26.633.9000112.8Y375 L376 I377P373-Y375 VanDerWaalsContact C-N 3.33Å; P373-Y375 PolarHBondContact O-N 2.94Å; P373-L376 PolarHBondContact O-N 3.49Å; P373-I377 WeakPolarHBondContact O-CD1 3.46Å; P373-I377 WeakPolarHBondContact O-CG1 3.4Å; P373-I377 PolarHBondContact O-N 2.6Å
374A53.8Low65.4Low72 Ų7280.4 Ų80.460%0.59544%0.437SS*.Hα-helixtrans-63.4-37.8177.200000112.5S372 I377 S378S372-A374 PolarHBondContact O-N 2.8Å; S372-A374 VanDerWaalsContact O-N 3.16Å; A374-I377 PolarHBondContact O-N 2.9Å; A374-S378 PolarHBondContact O-N 3.27Å
375Y57.3Low63.5Low34 Ų3482.2 Ų82.213%0.13344%0.44CS..Hα-helixtrans-70.4-44176.2-178.2-94.1000111.8L99 L371 S372 P373 I377 S378 E379L99-Y375 HydrophobicContact CB-CE2 4.26Å; L99-Y375 HydrophobicContact CD2-CD1 4.26Å; L99-Y375 HydrophobicContact CD2-CD2 4.09Å; L99-Y375 HydrophobicContact CD2-CE1 3.59Å; L99-Y375 HydrophobicContact CD2-CE2 3.39Å; L99-Y375 HydrophobicContact CD2-CG 4.48Å; L99-Y375 WeakPolarHBondContact CD2-OH 3.41Å; L99-Y375 HydrophobicContact CG-CE2 4.28Å; L99-Y375 WeakPolarHBondContact CG-OH 3.47Å; L371-Y375 HydrophobicContact CD2-CD1 3.64Å; L371-Y375 HydrophobicContact CD2-CE1 3.92Å; S372-Y375 WeakPolarHBondContact O-CB 3.31Å; S372-Y375 PolarHBondContact O-N 2.68Å; S372-Y375 PolarHBondContact OG-N 2.86Å; P373-Y375 VanDerWaalsContact C-N 3.33Å; P373-Y375 PolarHBondContact O-N 2.94Å; Y375-I377 PolarHBondContact O-N 3.23Å; Y375-S378 CarbonylContact O-C 3.54Å; Y375-S378 WeakPolarHBondContact O-CA 3.37Å; Y375-S378 WeakPolarHBondContact O-CB 3.42Å; Y375-S378 PolarHBondContact O-N 3.35Å; Y375-E379 HydrophobicContact CE1-CB 4.36Å; Y375-E379 PolarHBondContact O-N 3.11Å
376L56.8Low61.6Low85 Ų8582.2 Ų82.245%0.44544%0.44SS..Hα-helixtrans-58.8-38.3174.8-72.4169.2000111.5L371 S372 P373 E379 A380L371-L376 HydrophobicContact CB-CG 4.45Å; L371-L376 HydrophobicContact CD2-CD2 4.08Å; L371-L376 HydrophobicContact CD2-CG 4.49Å; S372-L376 PolarHBondContact O-N 3.38Å; S372-L376 VanDerWaalsContact O-N 3.08Å; P373-L376 PolarHBondContact O-N 3.49Å; L376-E379 PolarHBondContact O-N 2.84Å; L376-A380 WeakPolarHBondContact O-CB 3.1Å; L376-A380 PolarHBondContact O-N 2.92Å
377I55.7Low59.5Low94 Ų9480.6 Ų80.648%0.48243%0.433SS..Hα-helixtrans-64.8-43.6173.1-68163.3000110.7P373 A374 Y375 A380 M381P373-I377 WeakPolarHBondContact O-CD1 3.46Å; P373-I377 WeakPolarHBondContact O-CG1 3.4Å; P373-I377 PolarHBondContact O-N 2.6Å; A374-I377 PolarHBondContact O-N 2.9Å; Y375-I377 PolarHBondContact O-N 3.23Å; I377-A380 PolarHBondContact O-N 3.46Å; I377-M381 HydrophobicContact CG2-CE 3.76Å; I377-M381 HydrophobicContact CG2-CG 4.17Å; I377-M381 HydrophobicContact CG2-SD 4.04Å; I377-M381 WeakPolarHBondContact O-CB 3.47Å; I377-M381 WeakPolarHBondContact O-CG 3.12Å; I377-M381 PolarHBondContact O-N 3.3Å
378S59.2Low57Low28 Ų2878 Ų7820%0.19642%0.424CS..Hα-helixtrans-61.4-44.2175.1-177.20000112.2A374 Y375 M381 R382A374-S378 PolarHBondContact O-N 3.27Å; Y375-S378 CarbonylContact O-C 3.54Å; Y375-S378 WeakPolarHBondContact O-CA 3.37Å; Y375-S378 WeakPolarHBondContact O-CB 3.42Å; Y375-S378 PolarHBondContact O-N 3.35Å; S378-M381 PolarHBondContact O-N 3.43Å; S378-R382 WeakPolarHBondContact O-CB 3.38Å; S378-R382 VanDerWaalsContact O-CG 3.3Å; S378-R382 WeakPolarHBondContact O-CG 3.39Å; S378-R382 PolarHBondContact O-N 2.91Å; S378-R382 PolarHBondContact OG-NE 2.89Å; S378-R382 PolarHBondContact OG-NH2 3.4Å
379E62.5Low55Low26 Ų2675.6 Ų75.612%0.12141%0.411CS..Hα-helixtrans-66.2-43.2177.7-165.3178.7166.900111.1R103 Y375 L376 R382 R383R103-E379 IonicContact NH1-OE2 3.76Å; Y375-E379 HydrophobicContact CE1-CB 4.36Å; Y375-E379 PolarHBondContact O-N 3.11Å; L376-E379 PolarHBondContact O-N 2.84Å; E379-R382 PolarHBondContact O-N 3.25Å; E379-R383 WeakPolarHBondContact O-CB 3.21Å; E379-R383 WeakPolarHBondContact O-CG 3.29Å; E379-R383 PolarHBondContact O-N 3.35Å; E379-R383 IonicContact OE1-CZ 3.89Å; E379-R383 IonicContact OE1-NE 2.63Å; E379-R383 IonicContact OE1-NH2 3.74Å; E379-R383 PolarHBondContact OE1-NH2 3.35Å
380A57.4Low53.2Low55 Ų5578.6 Ų78.646%0.45543%0.432SS..Hα-helixtrans-66.2-37.117500000112.5L376 I377 R383 S384L376-A380 WeakPolarHBondContact O-CB 3.1Å; L376-A380 PolarHBondContact O-N 2.92Å; I377-A380 PolarHBondContact O-N 3.46Å; A380-R383 PolarHBondContact O-N 3.37Å; A380-S384 VanDerWaalsContact O-CB 3.28Å; A380-S384 WeakPolarHBondContact O-CB 3.32Å; A380-S384 PolarHBondContact O-N 3.49Å; A380-S384 PolarHBondContact O-OG 2.8Å
381M56.9Low52.6Low95 Ų9573.1 Ų73.147%0.46841%0.41SS..Hα-helixtrans-65.9-42.2173.1-79.9-172.8175.600110.8I377 S378 S384 R385I377-M381 HydrophobicContact CG2-CE 3.76Å; I377-M381 HydrophobicContact CG2-CG 4.17Å; I377-M381 HydrophobicContact CG2-SD 4.04Å; I377-M381 WeakPolarHBondContact O-CB 3.47Å; I377-M381 WeakPolarHBondContact O-CG 3.12Å; I377-M381 PolarHBondContact O-N 3.3Å; S378-M381 PolarHBondContact O-N 3.43Å; M381-S384 WeakPolarHBondContact CA-OG 3.48Å; M381-S384 PolarHBondContact O-OG 3.39Å; M381-S384 VanDerWaalsContact O-OG 3.13Å; M381-R385 WeakPolarHBondContact O-CB 3.25Å; M381-R385 VanDerWaalsContact O-CG 3.23Å; M381-R385 WeakPolarHBondContact O-CG 3.31Å; M381-R385 PolarHBondContact O-N 2.68Å
382R62.2Low52.2Low19 Ų1972 Ų727%0.07241%0.405CS..Hα-helixtrans-64.5-44.1174.2-74.1-176.6-106.1167.1-10.5111.3T97 D100 L167 M168 S378 E379 R385 M386T97-R382 VanDerWaalsContact CG2-CZ 3.49Å; T97-R382 PolarHBondContact OG1-NH1 2.91Å; T97-R382 VanDerWaalsContact OG1-NH1 3.17Å; D100-R382 IonicContact OD2-NH1 2.86Å; D100-R382 PolarHBondContact OD2-NH1 3.16Å; L167-R382 WeakPolarHBondContact O-CD 3.38Å; M168-R382 HydrophobicContact SD-CB 3.94Å; M168-R382 HydrophobicContact SD-CG 3.65Å; S378-R382 WeakPolarHBondContact O-CB 3.38Å; S378-R382 VanDerWaalsContact O-CG 3.3Å; S378-R382 WeakPolarHBondContact O-CG 3.39Å; S378-R382 PolarHBondContact O-N 2.91Å; S378-R382 PolarHBondContact OG-NE 2.89Å; S378-R382 PolarHBondContact OG-NH2 3.4Å; E379-R382 PolarHBondContact O-N 3.25Å; R382-R385 PolarHBondContact O-N 2.97Å; R382-M386 WeakPolarHBondContact O-CB 3.33Å; R382-M386 VanDerWaalsContact O-CG 3.23Å; R382-M386 WeakPolarHBondContact O-CG 3.3Å; R382-M386 PolarHBondContact O-N 2.68Å
383R55.9Low52.1Low151 Ų15172.9 Ų72.957%0.5741%0.406SS*.Hα-helixtrans-63.2-45.5175.7-73.7-176.4-172.1-170.36.6112.9E379 A380 M386 S387E379-R383 WeakPolarHBondContact O-CB 3.21Å; E379-R383 WeakPolarHBondContact O-CG 3.29Å; E379-R383 PolarHBondContact O-N 3.35Å; E379-R383 IonicContact OE1-CZ 3.89Å; E379-R383 IonicContact OE1-NE 2.63Å; E379-R383 IonicContact OE1-NH2 3.74Å; E379-R383 PolarHBondContact OE1-NH2 3.35Å; A380-R383 PolarHBondContact O-N 3.37Å; R383-M386 HydrophobicContact CB-CE 4.42Å; R383-M386 HydrophobicContact CG-CE 4.01Å; R383-M386 PolarHBondContact O-N 3.07Å; R383-S387 PolarHBondContact O-N 3.14Å; R383-S387 VanDerWaalsContact O-N 3.12Å
384S52.1Low52.2Low63 Ų6371.3 Ų71.344%0.44139%0.392SS..Hα-helixtrans-70.5-35.8178.357.90000112.3A380 M381 S387 L388A380-S384 VanDerWaalsContact O-CB 3.28Å; A380-S384 WeakPolarHBondContact O-CB 3.32Å; A380-S384 PolarHBondContact O-N 3.49Å; A380-S384 PolarHBondContact O-OG 2.8Å; M381-S384 WeakPolarHBondContact CA-OG 3.48Å; M381-S384 PolarHBondContact O-OG 3.39Å; M381-S384 VanDerWaalsContact O-OG 3.13Å; S384-S387 WeakPolarHBondContact O-CB 3.27Å; S384-S387 PolarHBondContact O-N 3.1Å; S384-L388 WeakPolarHBondContact O-CG 3.46Å; S384-L388 PolarHBondContact O-N 3.38Å
385R51.6Low52.1Low99 Ų9971.3 Ų71.337%0.37438%0.379SS..Hα-helixtrans-69.2-36.9171.2-73.9-175.4-178.4-160.53.2112.2D165 M381 R382 S387 L388 Y389D165-R385 IonicContact OD2-CZ 2.8Å; D165-R385 IonicContact OD2-NH1 3.09Å; D165-R385 PolarHBondContact OD2-NH1 2.82Å; M381-R385 WeakPolarHBondContact O-CB 3.25Å; M381-R385 VanDerWaalsContact O-CG 3.23Å; M381-R385 WeakPolarHBondContact O-CG 3.31Å; M381-R385 PolarHBondContact O-N 2.68Å; R382-R385 PolarHBondContact O-N 2.97Å; R385-S387 VanDerWaalsContact C-N 3.3Å; R385-S387 PolarHBondContact O-N 3.45Å; R385-L388 CarbonylContact O-C 3.57Å; R385-L388 WeakPolarHBondContact O-CA 3.11Å; R385-L388 VanDerWaalsContact O-CB 3.31Å; R385-L388 WeakPolarHBondContact O-CB 3.48Å; R385-L388 PolarHBondContact O-N 3.02Å; R385-Y389 HydrophobicContact CB-CE2 4.29Å; R385-Y389 WeakPolarHBondContact O-CD2 3.36Å; R385-Y389 WeakPolarHBondContact O-CE2 3.47Å; R385-Y389 PolarHBondContact O-N 2.94Å
386M50.4Low51.7Low45 Ų4573.7 Ų73.722%0.22240%0.396CS..Hα-helixtrans-57.4-43.7171.3-80.2-170.4-66.100111.7P74 L75 M168 R382 R383 L388 Y389 C390P74-M386 HydrophobicContact CB-CE 4.41Å; P74-M386 HydrophobicContact CB-CG 4.37Å; P74-M386 HydrophobicContact CB-SD 3.61Å; L75-M386 HydrophobicContact CD2-CE 4.27Å; L75-M386 HydrophobicContact CD2-SD 3.35Å; L75-M386 WeakPolarHBondContact CD2-SD 3.2Å; L75-M386 HydrophobicContact CG-SD 3.84Å; M168-M386 HydrophobicContact CE-CB 4.44Å; M168-M386 HydrophobicContact CE-CG 3.36Å; M168-M386 HydrophobicContact CE-SD 4.48Å; R382-M386 WeakPolarHBondContact O-CB 3.33Å; R382-M386 VanDerWaalsContact O-CG 3.23Å; R382-M386 WeakPolarHBondContact O-CG 3.3Å; R382-M386 PolarHBondContact O-N 2.68Å; R383-M386 HydrophobicContact CB-CE 4.42Å; R383-M386 HydrophobicContact CG-CE 4.01Å; R383-M386 PolarHBondContact O-N 3.07Å; M386-L388 PolarHBondContact O-N 3.39Å; M386-L388 VanDerWaalsContact O-N 3.13Å; M386-Y389 PolarHBondContact O-N 2.82Å; M386-Y389 VanDerWaalsContact O-N 3.1Å; M386-C390 PolarHBondContact O-N 3.39Å; M386-C390 PolarHBondContact O-SG 2.89Å
387S44.2Very low51.3Low81 Ų8172.9 Ų72.957%0.56639%0.392SS*.THydrogen-bonded Turntrans-59.4-21.1172.8171.30000113.6R383 S384 R385 C390R383-S387 PolarHBondContact O-N 3.14Å; R383-S387 VanDerWaalsContact O-N 3.12Å; S384-S387 WeakPolarHBondContact O-CB 3.27Å; S384-S387 PolarHBondContact O-N 3.1Å; R385-S387 VanDerWaalsContact C-N 3.3Å; R385-S387 PolarHBondContact O-N 3.45Å; S387-C390 WeakPolarHBondContact O-CB 3.44Å
388L34.3Very low51Low97 Ų9771.3 Ų71.351%0.50839%0.385SS..THydrogen-bonded Turntrans-96.8-0.5-178.9-77170.1000113.7R213 S384 R385 M386R213-L388 PolarHBondContact NH1-O 3.15Å; S384-L388 WeakPolarHBondContact O-CG 3.46Å; S384-L388 PolarHBondContact O-N 3.38Å; R385-L388 CarbonylContact O-C 3.57Å; R385-L388 WeakPolarHBondContact O-CA 3.11Å; R385-L388 VanDerWaalsContact O-CB 3.31Å; R385-L388 WeakPolarHBondContact O-CB 3.48Å; R385-L388 PolarHBondContact O-N 3.02Å; M386-L388 PolarHBondContact O-N 3.39Å; M386-L388 VanDerWaalsContact O-N 3.13Å
389Y41.8Very low50.3Low42 Ų4274.9 Ų74.917%0.16540%0.401CS..  trans-103.2-4.3164.5-62.9-78.6000111.8R34 Y160 N161 M168 R385 M386R34-Y389 PolarHBondContact NH1-O 2.83Å; Y160-Y389 HydrophobicContact CD1-CD1 4.25Å; Y160-Y389 AromaticContact CD1-CE1 3.23Å; Y160-Y389 HydrophobicContact CD1-CE1 3.23Å; Y160-Y389 AromaticContact CD1-CZ 3.74Å; Y160-Y389 AromaticContact CE1-CE1 3.56Å; Y160-Y389 HydrophobicContact CE1-CE1 3.56Å; Y160-Y389 AromaticContact CE1-CZ 3.52Å; Y160-Y389 WeakPolarHBondContact CE1-OH 3.41Å; Y160-Y389 HydrophobicContact CG-CE1 4.2Å; Y160-Y389 WeakPolarHBondContact O-CD1 3.16Å; N161-Y389 VanDerWaalsContact CA-CD1 3.49Å; N161-Y389 VanDerWaalsContact O-CE1 3.31Å; N161-Y389 WeakPolarHBondContact O-CE1 3.46Å; N161-Y389 PolarHBondContact O-OH 2.61Å; M168-Y389 HydrophobicContact CE-CE2 4.25Å; R385-Y389 HydrophobicContact CB-CE2 4.29Å; R385-Y389 WeakPolarHBondContact O-CD2 3.36Å; R385-Y389 WeakPolarHBondContact O-CE2 3.47Å; R385-Y389 PolarHBondContact O-N 2.94Å; M386-Y389 PolarHBondContact O-N 2.82Å; M386-Y389 VanDerWaalsContact O-N 3.1Å
390C34.6Very low49.2Very low126 Ų12679.4 Ų79.485%0.85143%0.426SS*.  trans-620170.9-70.10000111.4M386 S387M386-C390 PolarHBondContact O-N 3.39Å; M386-C390 PolarHBondContact O-SG 2.89Å; S387-C390 WeakPolarHBondContact O-CB 3.44Å

Retrieved 390 of 390 residues in 87.4 ms (Link to these results)

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