A0A077Z480_TRITR Loading...

Retinoblastoma binding protein 6

AlphaFold DB , UniProt , Accession A0A077Z480, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,118 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
1M81.9Confident93.8Very high189 Ų18961.2 Ų61.293%0.93132%0.321SS*.  0120.30-63.8-167.880.900110.1D20M1-D20 VanDerWaalsContact CA-OD1 3.32Å; M1-D20 WeakPolarHBondContact CA-OD1 3.29Å; M1-D20 PolarHBondContact N-OD1 3.34Å
2S93.8Very high93.7Very high11 Ų1168.4 Ų68.48%0.07736%0.359CS..EExtended strand (participates in β ladder)trans-115.8158.7172.9-69.60000110T18 F19 G21S2-T18 WeakPolarHBondContact O-CA 3.43Å; S2-F19 PolarHBondContact N-O 3.17Å; S2-F19 WeakPolarHBondContact O-CD1 3.49Å; S2-F19 PolarHBondContact O-N 2.83Å; S2-F19 VanDerWaalsContact O-O 3.12Å; S2-G21 WeakPolarHBondContact CB-O 3.46Å; S2-G21 PolarHBondContact OG-O 3.27Å
3C94.3Very high93.8Very high35 Ų3571.4 Ų71.424%0.23638%0.376CS..EExtended strand (participates in β ladder)trans-132.3153.9174.455.80000112.8V17 T18 N67C3-V17 CarbonylContact C-O 3.51Å; C3-V17 WeakPolarHBondContact CA-O 3.49Å; C3-V17 WeakPolarHBondContact CB-O 3Å; C3-T18 HydrophobicContact CB-CG2 4.36Å; C3-N67 WeakPolarHBondContact O-CA 3.38Å; C3-N67 PolarHBondContact O-N 3.29Å
4I95.7Very high93.9Very high0 Ų074.4 Ų74.40%038%0.38CS..EExtended strand (participates in β ladder)trans-124.5135169.6-77.3154.6000107.1T16 V17 F19 L24 L29 V64 V70I4-T16 WeakPolarHBondContact O-CA 3.1Å; I4-V17 PolarHBondContact N-O 3.23Å; I4-V17 PolarHBondContact O-N 3.29Å; I4-F19 HydrophobicContact CD1-CD1 4.25Å; I4-F19 HydrophobicContact CD1-CE1 3.58Å; I4-F19 HydrophobicContact CD1-CZ 4Å; I4-F19 HydrophobicContact CG1-CE1 3.76Å; I4-F19 HydrophobicContact CG1-CZ 4.37Å; I4-L24 HydrophobicContact CD1-CB 3.72Å; I4-L24 HydrophobicContact CD1-CD2 4.06Å; I4-L29 HydrophobicContact CD1-CD1 4.37Å; I4-L29 HydrophobicContact CG2-CD1 4.05Å; I4-V64 HydrophobicContact CD1-CB 4.23Å; I4-V64 HydrophobicContact CD1-CG1 3.73Å; I4-V64 HydrophobicContact CG1-CG1 4.1Å; I4-V64 HydrophobicContact CG2-CG1 4.36Å; I4-V70 HydrophobicContact CG2-CG2 3.57Å
5H96.2Very high94Very high65 Ų6576.9 Ų76.930%0.30138%0.383SS..EExtended strand (participates in β ladder)trans-97112.2-178.3-66.8-105.5000109.2Y14 R15 S68 S69 V70H5-Y14 HydrophobicContact CB-CD1 4.44Å; H5-R15 CarbonylContact C-O 3.56Å; H5-R15 WeakPolarHBondContact CA-O 3.46Å; H5-S68 PolarHBondContact N-O 3.19Å; H5-S69 CarbonylContact O-C 3.5Å; H5-S69 VanDerWaalsContact O-CA 3.27Å; H5-S69 WeakPolarHBondContact O-CA 3.44Å; H5-V70 PolarHBondContact O-N 3.13Å
6Y96.5Very high94.1Very high6 Ų676.2 Ų76.22%0.02438%0.384CS..EExtended strand (participates in β ladder)trans-115.5146.1-179.176-78.3000112.2F8 R15 V17 I33 E37 V70 V72Y6-F8 HydrophobicContact CD2-CE2 4.45Å; Y6-F8 HydrophobicContact CE2-CE2 4.05Å; Y6-R15 HydrophobicContact CD1-CB 4.09Å; Y6-R15 WeakPolarHBondContact CD1-O 3.03Å; Y6-R15 HydrophobicContact CE1-CB 3.55Å; Y6-R15 HydrophobicContact CE2-CB 4.13Å; Y6-R15 PolarHBondContact N-O 3.4Å; Y6-R15 PolarHBondContact O-N 2.91Å; Y6-V17 HydrophobicContact CD1-CG2 3.63Å; Y6-V17 HydrophobicContact CE1-CG2 3.59Å; Y6-I33 HydrophobicContact CD1-CG1 4.45Å; Y6-I33 HydrophobicContact CD2-CD1 4.15Å; Y6-I33 HydrophobicContact CD2-CG1 4.02Å; Y6-I33 HydrophobicContact CD2-CG2 4.2Å; Y6-I33 HydrophobicContact CE1-CG1 4.49Å; Y6-I33 HydrophobicContact CE2-CG1 4.08Å; Y6-I33 HydrophobicContact CE2-CG2 3.88Å; Y6-I33 HydrophobicContact CG-CD1 4.2Å; Y6-I33 HydrophobicContact CG-CG1 4.2Å; Y6-E37 HydrophobicContact CE2-CG 4.3Å; Y6-E37 PolarHBondContact OH-OE1 3.26Å; Y6-V70 VanDerWaalsContact CA-O 3.29Å; Y6-V70 WeakPolarHBondContact CA-O 3.44Å; Y6-V72 HydrophobicContact CD2-CG2 4.19Å
7K95.8Very high94.1Very high51 Ų5171.7 Ų71.722%0.22236%0.362CS..EExtended strand (participates in β ladder)trans-139.7135.4178.9167.9170.8171.6169.20109.2S11 L12 Y14 V70 I71 V72K7-S11 WeakPolarHBondContact CE-O 3.46Å; K7-L12 WeakPolarHBondContact CD-O 3.42Å; K7-L12 WeakPolarHBondContact CE-O 3.29Å; K7-L12 PolarHBondContact NZ-O 2.99Å; K7-Y14 HydrophobicContact CB-CD1 3.44Å; K7-Y14 VanDerWaalsContact CB-CD1 3.44Å; K7-Y14 HydrophobicContact CB-CE1 3.56Å; K7-Y14 HydrophobicContact CB-CG 4.04Å; K7-Y14 HydrophobicContact CD-CD1 4.08Å; K7-Y14 HydrophobicContact CD-CD2 4.02Å; K7-Y14 HydrophobicContact CD-CE1 3.79Å; K7-Y14 HydrophobicContact CD-CE2 3.77Å; K7-Y14 HydrophobicContact CD-CG 4.17Å; K7-Y14 HydrophobicContact CG-CD1 4.42Å; K7-Y14 HydrophobicContact CG-CE1 4.36Å; K7-V70 PolarHBondContact N-O 3.36Å; K7-I71 CarbonylContact O-C 3.58Å; K7-I71 WeakPolarHBondContact O-CA 3.25Å; K7-V72 PolarHBondContact O-N 3.23Å
8F96.7Very high94.2Very high8 Ų870.9 Ų70.94%0.03536%0.361CS..EExtended strand (participates in β ladder)trans-72.6144.6172.5-76.4-81.1000109.8Y6 S10 S11 I33 E37 I39 L46 V72 R74Y6-F8 HydrophobicContact CD2-CE2 4.45Å; Y6-F8 HydrophobicContact CE2-CE2 4.05Å; F8-S10 PolarHBondContact O-N 2.93Å; F8-S11 PolarHBondContact N-OG 2.91Å; F8-S11 VanDerWaalsContact N-OG 3.11Å; F8-S11 PolarHBondContact O-N 3.43Å; F8-S11 PolarHBondContact O-OG 3.26Å; F8-I33 HydrophobicContact CZ-CG2 3.86Å; F8-E37 HydrophobicContact CE2-CG 3.61Å; F8-E37 HydrophobicContact CZ-CG 3.83Å; F8-I39 HydrophobicContact CE1-CD1 4.05Å; F8-I39 HydrophobicContact CZ-CD1 3.65Å; F8-L46 HydrophobicContact CE1-CD2 4.11Å; F8-V72 CarbonylContact C-O 3.6Å; F8-V72 VanDerWaalsContact CA-O 3.29Å; F8-V72 WeakPolarHBondContact CA-O 3.28Å; F8-V72 HydrophobicContact CD1-CB 4.04Å; F8-V72 HydrophobicContact CD1-CG1 3.99Å; F8-V72 WeakPolarHBondContact CD1-O 3.35Å; F8-V72 HydrophobicContact CE1-CB 4.05Å; F8-V72 HydrophobicContact CE1-CG1 3.57Å; F8-V72 HydrophobicContact CZ-CG1 4.22Å; F8-R74 HydrophobicContact CD1-CG 3.94Å; F8-R74 HydrophobicContact CE1-CG 3.76Å
9K95Very high94.1Very high168 Ų16868.1 Ų68.173%0.7335%0.346SS*.THydrogen-bonded Turntrans-57.3-12.4172.1-168.5163.8-177.81670113.6I71 V72 S73K9-I71 HydrophobicContact CB-CG2 4.03Å; K9-V72 PolarHBondContact N-O 3.05Å; K9-S73 WeakPolarHBondContact CD-OG 3.45Å
10S92.9Very high94Very high111 Ų11171.2 Ų71.278%0.77636%0.363SS*.THydrogen-bonded Turntrans-113.210.4175.173.80000115F8F8-S10 PolarHBondContact O-N 2.93Å
11S92.6Very high93.9Very high29 Ų2969.7 Ų69.720%0.20337%0.366CS..  trans-116.1156.4171.365.20000110.4K7 F8 D13K7-S11 WeakPolarHBondContact CE-O 3.46Å; F8-S11 PolarHBondContact N-OG 2.91Å; F8-S11 VanDerWaalsContact N-OG 3.11Å; F8-S11 PolarHBondContact O-N 3.43Å; F8-S11 PolarHBondContact O-OG 3.26Å; S11-D13 PolarHBondContact OG-O 3.26Å
12L92.8Very high94.4Very high148 Ų14865.8 Ų65.878%0.77535%0.348SS*.SBendtrans-89.4-36.7171.3-64179000111.4K7K7-L12 WeakPolarHBondContact CD-O 3.42Å; K7-L12 WeakPolarHBondContact CE-O 3.29Å; K7-L12 PolarHBondContact NZ-O 2.99Å
13D94.6Very high94.4Very high107 Ų10770.5 Ų70.557%0.57237%0.369SS*.SBendtrans-76.1142.7-176-32.2-51.1000112.4S11S11-D13 PolarHBondContact OG-O 3.26Å
14Y95.5Very high94.4Very high113 Ų11369.1 Ų69.144%0.44336%0.359SS..  trans-84.6150.5162.4-72.2-86.3000110.8H5 K7H5-Y14 HydrophobicContact CB-CD1 4.44Å; K7-Y14 HydrophobicContact CB-CD1 3.44Å; K7-Y14 VanDerWaalsContact CB-CD1 3.44Å; K7-Y14 HydrophobicContact CB-CE1 3.56Å; K7-Y14 HydrophobicContact CB-CG 4.04Å; K7-Y14 HydrophobicContact CD-CD1 4.08Å; K7-Y14 HydrophobicContact CD-CD2 4.02Å; K7-Y14 HydrophobicContact CD-CE1 3.79Å; K7-Y14 HydrophobicContact CD-CE2 3.77Å; K7-Y14 HydrophobicContact CD-CG 4.17Å; K7-Y14 HydrophobicContact CG-CD1 4.42Å; K7-Y14 HydrophobicContact CG-CE1 4.36Å
15R96Very high94.3Very high113 Ų11371.1 Ų71.143%0.42637%0.373SS..EExtended strand (participates in β ladder)trans-129.2156.3174.7-64.3-179.3-177.8-1683.2108.8H5 Y6 E37H5-R15 CarbonylContact C-O 3.56Å; H5-R15 WeakPolarHBondContact CA-O 3.46Å; Y6-R15 HydrophobicContact CD1-CB 4.09Å; Y6-R15 WeakPolarHBondContact CD1-O 3.03Å; Y6-R15 HydrophobicContact CE1-CB 3.55Å; Y6-R15 HydrophobicContact CE2-CB 4.13Å; Y6-R15 PolarHBondContact N-O 3.4Å; Y6-R15 PolarHBondContact O-N 2.91Å; R15-E37 WeakPolarHBondContact CD-OE1 3.18Å; R15-E37 IonicContact CZ-OE1 3.66Å; R15-E37 IonicContact CZ-OE2 3.39Å; R15-E37 IonicContact NE-OE1 2.7Å; R15-E37 IonicContact NH1-OE1 2.92Å; R15-E37 PolarHBondContact NH1-OE1 3.11Å; R15-E37 IonicContact NH1-OE2 2.61Å; R15-E37 PolarHBondContact NH1-OE2 3.03Å
16T95.1Very high94.2Very high65 Ų6568 Ų6840%0.39936%0.359SS..EExtended strand (participates in β ladder)trans-104.2136.1179.748.80000111.9I4 R36I4-T16 WeakPolarHBondContact O-CA 3.1Å; T16-R36 PolarHBondContact O-NH1 3.14Å
17V94.9Very high94.1Very high0 Ų071.4 Ų71.40%038%0.382CS..EExtended strand (participates in β ladder)trans-92.5131.5153.5179.80000106.8C3 I4 Y6 L24 L29 M32 I33C3-V17 CarbonylContact C-O 3.51Å; C3-V17 WeakPolarHBondContact CA-O 3.49Å; C3-V17 WeakPolarHBondContact CB-O 3Å; I4-V17 PolarHBondContact N-O 3.23Å; I4-V17 PolarHBondContact O-N 3.29Å; Y6-V17 HydrophobicContact CD1-CG2 3.63Å; Y6-V17 HydrophobicContact CE1-CG2 3.59Å; V17-L24 HydrophobicContact CG1-CD2 4.2Å; V17-L29 HydrophobicContact CB-CD1 4.34Å; V17-L29 HydrophobicContact CG2-CD1 3.97Å; V17-M32 HydrophobicContact CG1-CB 3.9Å; V17-M32 HydrophobicContact CG1-CE 3.75Å; V17-M32 HydrophobicContact CG1-CG 4.38Å; V17-M32 HydrophobicContact CG1-SD 3.59Å; V17-M32 VanDerWaalsContact CG1-SD 3.59Å; V17-I33 HydrophobicContact CG2-CG1 3.98Å
18T94.4Very high94Very high57 Ų5772.2 Ų72.235%0.3539%0.387SS..EExtended strand (participates in β ladder)trans-113127.417544.20000108.4S2 C3 M32 R36S2-T18 WeakPolarHBondContact O-CA 3.43Å; C3-T18 HydrophobicContact CB-CG2 4.36Å; T18-M32 VanDerWaalsContact O-CE 3.24Å; T18-M32 WeakPolarHBondContact O-CE 3.49Å; T18-R36 VanDerWaalsContact N-NH2 3.17Å; T18-R36 PolarHBondContact O-NH2 3.24Å; T18-R36 VanDerWaalsContact O-NH2 3.12Å; T18-R36 PolarHBondContact OG1-NH1 3.03Å; T18-R36 PolarHBondContact OG1-NH2 3.05Å
19F93.6Very high93.9Very high18 Ų1871.8 Ų71.88%0.07939%0.385CS..EExtended strand (participates in β ladder)trans-141.9-178.4-175.769.6-78.5000109.5S2 I4 H23 L24 M32 R66S2-F19 PolarHBondContact N-O 3.17Å; S2-F19 WeakPolarHBondContact O-CD1 3.49Å; S2-F19 PolarHBondContact O-N 2.83Å; S2-F19 VanDerWaalsContact O-O 3.12Å; I4-F19 HydrophobicContact CD1-CD1 4.25Å; I4-F19 HydrophobicContact CD1-CE1 3.58Å; I4-F19 HydrophobicContact CD1-CZ 4Å; I4-F19 HydrophobicContact CG1-CE1 3.76Å; I4-F19 HydrophobicContact CG1-CZ 4.37Å; F19-H23 VanDerWaalsContact CE2-C 3.46Å; F19-H23 VanDerWaalsContact CE2-O 3.31Å; F19-H23 WeakPolarHBondContact CE2-O 3.43Å; F19-L24 HydrophobicContact CB-CD1 4.02Å; F19-L24 HydrophobicContact CB-CD2 4.43Å; F19-L24 HydrophobicContact CD1-CD2 4.34Å; F19-L24 HydrophobicContact CD2-CB 4.22Å; F19-L24 HydrophobicContact CD2-CD1 3.92Å; F19-L24 HydrophobicContact CE2-CB 4.15Å; F19-L24 HydrophobicContact CG-CB 4.48Å; F19-L24 HydrophobicContact CG-CD1 4.03Å; F19-L24 HydrophobicContact CG-CD2 4.28Å; F19-L24 HydrophobicContact CZ-CB 4.32Å; F19-M32 HydrophobicContact CB-CE 4.32Å; F19-M32 HydrophobicContact CB-SD 4.49Å; F19-R66 HydrophobicContact CZ-CB 3.93Å
20D92.1Very high93.9Very high129 Ų12964.8 Ų64.869%0.6935%0.354SS*.SBendtrans-128.5150.3173.1-145.525.3000111M1M1-D20 VanDerWaalsContact CA-OD1 3.32Å; M1-D20 WeakPolarHBondContact CA-OD1 3.29Å; M1-D20 PolarHBondContact N-OD1 3.34Å
21G91.4Very high94Very high40 Ų4066.2 Ų66.241%0.41234%0.343SS..SBendtrans101178.6-163.400000113.5S2S2-G21 WeakPolarHBondContact CB-O 3.46Å; S2-G21 PolarHBondContact OG-O 3.27Å
22L93.1Very high94Very high108 Ų10866.7 Ų66.757%0.56534%0.342SS*.SBendtrans-86.6-23.1-174.2-65.7174.5000113.9R66L22-R66 VanDerWaalsContact O-CB 3.31Å; L22-R66 WeakPolarHBondContact O-CB 3.34Å; L22-R66 WeakPolarHBondContact O-CG 3.32Å; L22-R66 PolarHBondContact O-N 3.07Å
23H93.2Very high94.1Very high109 Ų10959.6 Ų59.651%0.50531%0.305SS..EExtended strand (participates in β ladder)trans-152.3167.5-174.455.9-118.2000110.4F19 V63 V64F19-H23 VanDerWaalsContact CE2-C 3.46Å; F19-H23 VanDerWaalsContact CE2-O 3.31Å; F19-H23 WeakPolarHBondContact CE2-O 3.43Å; H23-V63 HydrophobicContact CB-CG1 3.41Å; H23-V63 VanDerWaalsContact CB-CG1 3.41Å; H23-V64 CarbonylContact C-O 3.49Å; H23-V64 WeakPolarHBondContact CA-O 3.21Å
24L94Very high94.1Very high7 Ų755.8 Ų55.84%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-133135.8-180-161.865.8000109.6I4 V17 F19 E28 L29 M32 V64I4-L24 HydrophobicContact CD1-CB 3.72Å; I4-L24 HydrophobicContact CD1-CD2 4.06Å; V17-L24 HydrophobicContact CG1-CD2 4.2Å; F19-L24 HydrophobicContact CB-CD1 4.02Å; F19-L24 HydrophobicContact CB-CD2 4.43Å; F19-L24 HydrophobicContact CD1-CD2 4.34Å; F19-L24 HydrophobicContact CD2-CB 4.22Å; F19-L24 HydrophobicContact CD2-CD1 3.92Å; F19-L24 HydrophobicContact CE2-CB 4.15Å; F19-L24 HydrophobicContact CG-CB 4.48Å; F19-L24 HydrophobicContact CG-CD1 4.03Å; F19-L24 HydrophobicContact CG-CD2 4.28Å; F19-L24 HydrophobicContact CZ-CB 4.32Å; L24-E28 HydrophobicContact CD1-CB 4.17Å; L24-E28 HydrophobicContact CD1-CG 3.76Å; L24-E28 WeakPolarHBondContact CD1-OE2 3.34Å; L24-E28 HydrophobicContact CG-CB 4.27Å; L24-E28 HydrophobicContact CG-CG 4.24Å; L24-L29 HydrophobicContact CD2-CB 3.94Å; L24-L29 HydrophobicContact CD2-CD1 4.04Å; L24-L29 HydrophobicContact CG-CB 4.4Å; L24-M32 HydrophobicContact CD1-SD 4.33Å; L24-M32 HydrophobicContact CD2-SD 3.8Å; L24-V64 PolarHBondContact N-O 3.01Å; L24-V64 PolarHBondContact O-N 2.83Å
25S94.6Very high94Very high42 Ų4256.1 Ų56.129%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-68.4152.2174.664.70000111.3C27 E28 L29S25-C27 VanDerWaalsContact C-N 3.34Å; S25-C27 PolarHBondContact O-N 3.04Å; S25-E28 PolarHBondContact O-N 3.2Å; S25-E28 WeakPolarHBondContact OG-CB 3.49Å; S25-E28 PolarHBondContact OG-N 2.03Å; S25-L29 WeakPolarHBondContact O-CB 3.35Å; S25-L29 PolarHBondContact O-N 3.45Å
26L94.3Very high93.9Very high0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-56.1-46.9173.8-84.3-164000112.6E28 L29 K30 V48 Y57 A59 A62 V64L26-E28 PolarHBondContact O-N 3.48Å; L26-L29 HydrophobicContact CD2-CD2 4.48Å; L26-L29 PolarHBondContact O-N 2.74Å; L26-K30 WeakPolarHBondContact O-CB 3.41Å; L26-K30 VanDerWaalsContact O-CG 3.3Å; L26-K30 WeakPolarHBondContact O-CG 3.46Å; L26-K30 PolarHBondContact O-N 3.1Å; L26-V48 HydrophobicContact CD2-CB 4.19Å; L26-V48 HydrophobicContact CD2-CG1 4.37Å; L26-V48 HydrophobicContact CD2-CG2 4.43Å; L26-Y57 VanDerWaalsContact CD1-CB 3.44Å; L26-Y57 WeakPolarHBondContact CD1-O 3.48Å; L26-Y57 HydrophobicContact CD2-CD2 4.47Å; L26-Y57 HydrophobicContact CD2-CG 4.13Å; L26-A59 WeakPolarHBondContact CD1-O 3.26Å; L26-A62 HydrophobicContact CD1-CB 4.23Å; L26-A62 HydrophobicContact CG-CB 4.16Å; L26-A62 PolarHBondContact N-O 2.77Å; L26-V64 HydrophobicContact CD2-CG2 3.69Å
27C93.1Very high93.8Very high76 Ų7654.4 Ų54.451%0.51428%0.281SS..Hα-helixtrans-54.3-42.3179.2-177.40000111.6S25 R31 D60S25-C27 VanDerWaalsContact C-N 3.34Å; S25-C27 PolarHBondContact O-N 3.04Å; C27-R31 WeakPolarHBondContact O-CB 3.42Å; C27-R31 PolarHBondContact O-N 3.27Å; C27-R31 VanDerWaalsContact O-N 3.08Å; C27-D60 HydrophobicContact CB-CB 4.39Å; C27-D60 PolarHBondContact N-O 3.47Å; C27-D60 VanDerWaalsContact N-O 3.16Å
28E94Very high93.5Very high68 Ų6865.2 Ų65.232%0.31832%0.322SS..Hα-helixtrans-74.7-40.1176.9-173.7156.5-138.500113.5L24 S25 L26 R31 M32L24-E28 HydrophobicContact CD1-CB 4.17Å; L24-E28 HydrophobicContact CD1-CG 3.76Å; L24-E28 WeakPolarHBondContact CD1-OE2 3.34Å; L24-E28 HydrophobicContact CG-CB 4.27Å; L24-E28 HydrophobicContact CG-CG 4.24Å; S25-E28 PolarHBondContact O-N 3.2Å; S25-E28 WeakPolarHBondContact OG-CB 3.49Å; S25-E28 PolarHBondContact OG-N 2.03Å; L26-E28 PolarHBondContact O-N 3.48Å; E28-R31 WeakPolarHBondContact O-CB 3.4Å; E28-R31 PolarHBondContact O-N 3.36Å; E28-R31 IonicContact OE1-CZ 3.15Å; E28-R31 IonicContact OE1-NH2 2.67Å; E28-R31 PolarHBondContact OE1-NH2 3.3Å; E28-M32 HydrophobicContact CG-CG 4.27Å; E28-M32 HydrophobicContact CG-SD 4.09Å; E28-M32 VanDerWaalsContact O-CG 3.31Å; E28-M32 WeakPolarHBondContact O-CG 3.27Å; E28-M32 PolarHBondContact O-N 3.23Å
29L95.2Very high93.3Very high0 Ų063.4 Ų63.40%031%0.31CS..Hα-helixtrans-60.1-47.8174.8178.661.1000111.2I4 V17 L24 S25 L26 R31 M32 I33 V48 V64 V70I4-L29 HydrophobicContact CD1-CD1 4.37Å; I4-L29 HydrophobicContact CG2-CD1 4.05Å; V17-L29 HydrophobicContact CB-CD1 4.34Å; V17-L29 HydrophobicContact CG2-CD1 3.97Å; L24-L29 HydrophobicContact CD2-CB 3.94Å; L24-L29 HydrophobicContact CD2-CD1 4.04Å; L24-L29 HydrophobicContact CG-CB 4.4Å; S25-L29 WeakPolarHBondContact O-CB 3.35Å; S25-L29 PolarHBondContact O-N 3.45Å; L26-L29 HydrophobicContact CD2-CD2 4.48Å; L26-L29 PolarHBondContact O-N 2.74Å; L29-R31 PolarHBondContact O-N 3.42Å; L29-M32 PolarHBondContact O-N 2.83Å; L29-I33 HydrophobicContact CD1-CD1 3.85Å; L29-I33 HydrophobicContact CD1-CG1 4.35Å; L29-I33 HydrophobicContact CG-CD1 3.9Å; L29-I33 WeakPolarHBondContact O-CD1 3.39Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.17Å; L29-I33 PolarHBondContact O-N 2.94Å; L29-V48 HydrophobicContact CD2-CG1 4.23Å; L29-V64 HydrophobicContact CD2-CB 4.14Å; L29-V64 HydrophobicContact CD2-CG1 4.08Å; L29-V64 HydrophobicContact CD2-CG2 3.87Å; L29-V70 HydrophobicContact CD2-CG2 4.46Å
30K94.7Very high92.9Very high20 Ų2070.1 Ų70.19%0.08734%0.335CS..Hα-helixtrans-54.1-51.9172.7-72179.7-175.8-178.10109.9L26 M32 I33 F34 L46 V48 D60L26-K30 WeakPolarHBondContact O-CB 3.41Å; L26-K30 VanDerWaalsContact O-CG 3.3Å; L26-K30 WeakPolarHBondContact O-CG 3.46Å; L26-K30 PolarHBondContact O-N 3.1Å; K30-M32 PolarHBondContact O-N 3.18Å; K30-I33 PolarHBondContact O-N 3.3Å; K30-F34 HydrophobicContact CB-CD2 4.5Å; K30-F34 HydrophobicContact CB-CE2 4.33Å; K30-F34 WeakPolarHBondContact O-CD2 3.39Å; K30-F34 PolarHBondContact O-N 2.97Å; K30-L46 VanDerWaalsContact CE-O 3.26Å; K30-L46 WeakPolarHBondContact CE-O 3.46Å; K30-L46 HydrophobicContact CG-CB 4.39Å; K30-V48 HydrophobicContact CG-CG2 4.41Å; K30-D60 WeakPolarHBondContact CE-OD1 3.45Å; K30-D60 IonicContact NZ-OD1 2.8Å; K30-D60 PolarHBondContact NZ-OD1 3.49Å
31R93.9Very high92.6Very high141 Ų14166.9 Ų66.953%0.53233%0.326SS..Hα-helixtrans-54.3-51.9177.1179.4175.171.9-179.44.2112.5C27 E28 L29 I33 F34 D35C27-R31 WeakPolarHBondContact O-CB 3.42Å; C27-R31 PolarHBondContact O-N 3.27Å; C27-R31 VanDerWaalsContact O-N 3.08Å; E28-R31 WeakPolarHBondContact O-CB 3.4Å; E28-R31 PolarHBondContact O-N 3.36Å; E28-R31 IonicContact OE1-CZ 3.15Å; E28-R31 IonicContact OE1-NH2 2.67Å; E28-R31 PolarHBondContact OE1-NH2 3.3Å; L29-R31 PolarHBondContact O-N 3.42Å; R31-I33 VanDerWaalsContact C-N 3.28Å; R31-I33 PolarHBondContact O-N 3.47Å; R31-F34 WeakPolarHBondContact O-CB 3.19Å; R31-F34 PolarHBondContact O-N 3.04Å; R31-D35 PolarHBondContact O-N 3.3Å
32M93.8Very high92.2Very high39 Ų3967.4 Ų67.419%0.19232%0.323CS..Hα-helixtrans-63.8-31.8-179.2-68-179.79300112.7V17 T18 F19 L24 E28 L29 K30 R36V17-M32 HydrophobicContact CG1-CB 3.9Å; V17-M32 HydrophobicContact CG1-CE 3.75Å; V17-M32 HydrophobicContact CG1-CG 4.38Å; V17-M32 HydrophobicContact CG1-SD 3.59Å; V17-M32 VanDerWaalsContact CG1-SD 3.59Å; T18-M32 VanDerWaalsContact O-CE 3.24Å; T18-M32 WeakPolarHBondContact O-CE 3.49Å; F19-M32 HydrophobicContact CB-CE 4.32Å; F19-M32 HydrophobicContact CB-SD 4.49Å; L24-M32 HydrophobicContact CD1-SD 4.33Å; L24-M32 HydrophobicContact CD2-SD 3.8Å; E28-M32 HydrophobicContact CG-CG 4.27Å; E28-M32 HydrophobicContact CG-SD 4.09Å; E28-M32 VanDerWaalsContact O-CG 3.31Å; E28-M32 WeakPolarHBondContact O-CG 3.27Å; E28-M32 PolarHBondContact O-N 3.23Å; L29-M32 PolarHBondContact O-N 2.83Å; K30-M32 PolarHBondContact O-N 3.18Å; M32-R36 WeakPolarHBondContact O-CB 3.33Å; M32-R36 VanDerWaalsContact O-CG 3.26Å; M32-R36 WeakPolarHBondContact O-CG 3.47Å; M32-R36 PolarHBondContact O-N 3.29Å
33I95.2Very high91.7Very high0 Ų064.6 Ų64.60%031%0.309CS..Hα-helixtrans-72.9-43.2173.7-65.2162.3000110.9Y6 F8 V17 L29 K30 R31 D35 R36 E37 L46 V72Y6-I33 HydrophobicContact CD1-CG1 4.45Å; Y6-I33 HydrophobicContact CD2-CD1 4.15Å; Y6-I33 HydrophobicContact CD2-CG1 4.02Å; Y6-I33 HydrophobicContact CD2-CG2 4.2Å; Y6-I33 HydrophobicContact CE1-CG1 4.49Å; Y6-I33 HydrophobicContact CE2-CG1 4.08Å; Y6-I33 HydrophobicContact CE2-CG2 3.88Å; Y6-I33 HydrophobicContact CG-CD1 4.2Å; Y6-I33 HydrophobicContact CG-CG1 4.2Å; F8-I33 HydrophobicContact CZ-CG2 3.86Å; V17-I33 HydrophobicContact CG2-CG1 3.98Å; L29-I33 HydrophobicContact CD1-CD1 3.85Å; L29-I33 HydrophobicContact CD1-CG1 4.35Å; L29-I33 HydrophobicContact CG-CD1 3.9Å; L29-I33 WeakPolarHBondContact O-CD1 3.39Å; L29-I33 VanDerWaalsContact O-CG1 3.26Å; L29-I33 WeakPolarHBondContact O-CG1 3.17Å; L29-I33 PolarHBondContact O-N 2.94Å; K30-I33 PolarHBondContact O-N 3.3Å; R31-I33 VanDerWaalsContact C-N 3.28Å; R31-I33 PolarHBondContact O-N 3.47Å; I33-D35 VanDerWaalsContact C-N 3.29Å; I33-D35 PolarHBondContact O-N 3.48Å; I33-R36 PolarHBondContact O-N 3.08Å; I33-E37 HydrophobicContact CG2-CG 4.12Å; I33-E37 VanDerWaalsContact O-CB 3.27Å; I33-E37 WeakPolarHBondContact O-CB 3.4Å; I33-E37 WeakPolarHBondContact O-CG 3.43Å; I33-E37 PolarHBondContact O-N 3.42Å; I33-L46 HydrophobicContact CB-CD1 3.97Å; I33-L46 HydrophobicContact CG2-CD1 3.66Å; I33-V72 HydrophobicContact CD1-CG2 4.05Å
34F94.6Very high91.5Very high27 Ų2763.6 Ų63.612%0.11830%0.303CS..Hα-helixtrans-54.2-45.9173.7-80.6-67000111.7K30 R31 R38 I39 A41 F44 L46K30-F34 HydrophobicContact CB-CD2 4.5Å; K30-F34 HydrophobicContact CB-CE2 4.33Å; K30-F34 WeakPolarHBondContact O-CD2 3.39Å; K30-F34 PolarHBondContact O-N 2.97Å; R31-F34 WeakPolarHBondContact O-CB 3.19Å; R31-F34 PolarHBondContact O-N 3.04Å; F34-R38 VanDerWaalsContact O-CA 3.28Å; F34-R38 WeakPolarHBondContact O-CA 3.43Å; F34-R38 PolarHBondContact O-N 3.45Å; F34-I39 HydrophobicContact CD1-CB 3.78Å; F34-I39 HydrophobicContact CD1-CG2 3.8Å; F34-I39 HydrophobicContact CE1-CB 4.28Å; F34-I39 HydrophobicContact CE1-CG2 3.78Å; F34-I39 PolarHBondContact O-N 3.16Å; F34-I39 VanDerWaalsContact O-N 3.12Å; F34-A41 HydrophobicContact CD1-CB 3.91Å; F34-A41 HydrophobicContact CD2-CB 4.32Å; F34-A41 HydrophobicContact CE1-CB 3.76Å; F34-A41 HydrophobicContact CE2-CB 4.18Å; F34-A41 HydrophobicContact CG-CB 4.22Å; F34-A41 HydrophobicContact CZ-CB 3.89Å; F34-F44 VanDerWaalsContact CE1-O 3.3Å; F34-F44 WeakPolarHBondContact CE1-O 3.41Å; F34-F44 WeakPolarHBondContact CZ-O 3.43Å; F34-L46 HydrophobicContact CD1-CD1 4.23Å; F34-L46 HydrophobicContact CD2-CD1 3.97Å; F34-L46 HydrophobicContact CE1-CD1 4.12Å; F34-L46 HydrophobicContact CE1-CG 4Å; F34-L46 HydrophobicContact CE2-CD1 3.86Å; F34-L46 HydrophobicContact CE2-CG 4.01Å; F34-L46 HydrophobicContact CG-CD1 4.14Å; F34-L46 HydrophobicContact CZ-CD1 3.93Å; F34-L46 HydrophobicContact CZ-CG 3.68Å
35D93.1Very high91.4Very high119 Ų11966.5 Ų66.564%0.63632%0.319SS*.Hα-helixtrans-69-47.6-179.9-73.3-34.6000112.9R31 I33 E37 R38R31-D35 PolarHBondContact O-N 3.3Å; I33-D35 VanDerWaalsContact C-N 3.29Å; I33-D35 PolarHBondContact O-N 3.48Å; D35-E37 PolarHBondContact O-N 3.44Å; D35-R38 PolarHBondContact O-N 2.96Å
36R93Very high91.3Very high104 Ų10464.5 Ų64.539%0.39231%0.305SS..Hα-helixtrans-63.8-38.9179.5-73.4179.7-169.9-132.2-6.5112T16 T18 M32 I33T16-R36 PolarHBondContact O-NH1 3.14Å; T18-R36 VanDerWaalsContact N-NH2 3.17Å; T18-R36 PolarHBondContact O-NH2 3.24Å; T18-R36 VanDerWaalsContact O-NH2 3.12Å; T18-R36 PolarHBondContact OG1-NH1 3.03Å; T18-R36 PolarHBondContact OG1-NH2 3.05Å; M32-R36 WeakPolarHBondContact O-CB 3.33Å; M32-R36 VanDerWaalsContact O-CG 3.26Å; M32-R36 WeakPolarHBondContact O-CG 3.47Å; M32-R36 PolarHBondContact O-N 3.29Å; I33-R36 PolarHBondContact O-N 3.08Å
37E92.9Very high91.3Very high39 Ų3967 Ų6718%0.18232%0.318CS..Hα-helixtrans-89.6-12.1-178.7-65.2-68.1151.900114.4Y6 F8 R15 I33 D35 I39Y6-E37 HydrophobicContact CE2-CG 4.3Å; Y6-E37 PolarHBondContact OH-OE1 3.26Å; F8-E37 HydrophobicContact CE2-CG 3.61Å; F8-E37 HydrophobicContact CZ-CG 3.83Å; R15-E37 WeakPolarHBondContact CD-OE1 3.18Å; R15-E37 IonicContact CZ-OE1 3.66Å; R15-E37 IonicContact CZ-OE2 3.39Å; R15-E37 IonicContact NE-OE1 2.7Å; R15-E37 IonicContact NH1-OE1 2.92Å; R15-E37 PolarHBondContact NH1-OE1 3.11Å; R15-E37 IonicContact NH1-OE2 2.61Å; R15-E37 PolarHBondContact NH1-OE2 3.03Å; I33-E37 HydrophobicContact CG2-CG 4.12Å; I33-E37 VanDerWaalsContact O-CB 3.27Å; I33-E37 WeakPolarHBondContact O-CB 3.4Å; I33-E37 WeakPolarHBondContact O-CG 3.43Å; I33-E37 PolarHBondContact O-N 3.42Å; D35-E37 PolarHBondContact O-N 3.44Å; E37-I39 VanDerWaalsContact C-N 3.26Å; E37-I39 HydrophobicContact CB-CD1 3.56Å; E37-I39 HydrophobicContact CB-CG1 3.64Å; E37-I39 HydrophobicContact CG-CD1 4.15Å; E37-I39 PolarHBondContact O-N 2.95Å
38R90.4Very high91.4Very high226 Ų22663.3 Ų63.385%0.85329%0.293SS*.THydrogen-bonded Turntrans5738.7-174.4-51.4177.8-178.5-178.9-1.1112.6F34 D35F34-R38 VanDerWaalsContact O-CA 3.28Å; F34-R38 WeakPolarHBondContact O-CA 3.43Å; F34-R38 PolarHBondContact O-N 3.45Å; D35-R38 PolarHBondContact O-N 2.96Å
39I89.6Confident91.5Very high20 Ų2061 Ų6110%0.10328%0.284CS..  trans-79.6143175.3-61.6162.4000108.5F8 F34 E37 A41 F44 L46 R74F8-I39 HydrophobicContact CE1-CD1 4.05Å; F8-I39 HydrophobicContact CZ-CD1 3.65Å; F34-I39 HydrophobicContact CD1-CB 3.78Å; F34-I39 HydrophobicContact CD1-CG2 3.8Å; F34-I39 HydrophobicContact CE1-CB 4.28Å; F34-I39 HydrophobicContact CE1-CG2 3.78Å; F34-I39 PolarHBondContact O-N 3.16Å; F34-I39 VanDerWaalsContact O-N 3.12Å; E37-I39 VanDerWaalsContact C-N 3.26Å; E37-I39 HydrophobicContact CB-CD1 3.56Å; E37-I39 HydrophobicContact CB-CG1 3.64Å; E37-I39 HydrophobicContact CG-CD1 4.15Å; E37-I39 PolarHBondContact O-N 2.95Å; I39-A41 PolarHBondContact O-N 2.87Å; I39-F44 HydrophobicContact CG2-CD2 4.46Å; I39-L46 HydrophobicContact CD1-CD2 4.25Å; I39-R74 VanDerWaalsContact CD1-CZ 3.45Å
40R85.5Confident91.5Very high158 Ų15861.8 Ų61.860%0.59629%0.288SS*.  trans-85.6105.4177.4-59.7-176.372.8-128-1.7109.8S42 D43 F44R40-S42 PolarHBondContact O-N 3.45Å; R40-D43 HydrophobicContact CB-CB 4.37Å; R40-D43 WeakPolarHBondContact CD-OD2 3.28Å; R40-D43 IonicContact CZ-OD1 3.58Å; R40-D43 IonicContact CZ-OD2 3.87Å; R40-D43 IonicContact NE-OD2 2.66Å; R40-D43 IonicContact NH1-OD1 2.7Å; R40-D43 PolarHBondContact NH1-OD1 2.85Å; R40-D43 IonicContact NH1-OD2 3.79Å; R40-D43 PolarHBondContact NH1-OD2 3.12Å; R40-D43 PolarHBondContact O-N 2.89Å; R40-F44 PolarHBondContact O-N 3.07Å
41A84.6Confident91.4Very high62 Ų6262.1 Ų62.151%0.51229%0.294SS..THydrogen-bonded Turntrans-60-12.7174.700000114.2F34 I39 D43F34-A41 HydrophobicContact CD1-CB 3.91Å; F34-A41 HydrophobicContact CD2-CB 4.32Å; F34-A41 HydrophobicContact CE1-CB 3.76Å; F34-A41 HydrophobicContact CE2-CB 4.18Å; F34-A41 HydrophobicContact CG-CB 4.22Å; F34-A41 HydrophobicContact CZ-CB 3.89Å; I39-A41 PolarHBondContact O-N 2.87Å; A41-D43 VanDerWaalsContact C-N 3.33Å
42S83.6Confident91.3Very high50 Ų5062.9 Ų62.935%0.3530%0.304SS..THydrogen-bonded Turntrans-70.8-27.3169.455.80000113.7R40 Q80R40-S42 PolarHBondContact O-N 3.45Å; S42-Q80 WeakPolarHBondContact O-CG 3.44Å; S42-Q80 PolarHBondContact O-NE2 2.76Å
43D83.6Confident91.2Very high49 Ų4964.5 Ų64.526%0.26232%0.316SS..THydrogen-bonded Turntrans-108.3-30.5-165.8-51.6-8.2000111.7R40 A41R40-D43 HydrophobicContact CB-CB 4.37Å; R40-D43 WeakPolarHBondContact CD-OD2 3.28Å; R40-D43 IonicContact CZ-OD1 3.58Å; R40-D43 IonicContact CZ-OD2 3.87Å; R40-D43 IonicContact NE-OD2 2.66Å; R40-D43 IonicContact NH1-OD1 2.7Å; R40-D43 PolarHBondContact NH1-OD1 2.85Å; R40-D43 IonicContact NH1-OD2 3.79Å; R40-D43 PolarHBondContact NH1-OD2 3.12Å; R40-D43 PolarHBondContact O-N 2.89Å; A41-D43 VanDerWaalsContact C-N 3.33Å
44F88.9Confident91Very high89 Ų8969.9 Ų69.939%0.3935%0.345SS..EExtended strand (participates in β ladder)trans-141.7144-178.1-52-83.8000111.7F34 I39 R40 I75 V77F34-F44 VanDerWaalsContact CE1-O 3.3Å; F34-F44 WeakPolarHBondContact CE1-O 3.41Å; F34-F44 WeakPolarHBondContact CZ-O 3.43Å; I39-F44 HydrophobicContact CG2-CD2 4.46Å; R40-F44 PolarHBondContact O-N 3.07Å; F44-I75 CarbonylContact C-O 3.59Å; F44-I75 VanDerWaalsContact CA-O 3.29Å; F44-I75 WeakPolarHBondContact CA-O 3.37Å; F44-V77 VanDerWaalsContact C-CG2 3.42Å
45D91.4Very high90.9Very high67 Ų6774.1 Ų74.136%0.35837%0.365SS..EExtended strand (participates in β ladder)trans-98.2168.6162.9-168.321.1000110.7R74 I75 V77D45-R74 WeakPolarHBondContact O-CA 3.34Å; D45-I75 PolarHBondContact N-O 3.17Å; D45-I75 PolarHBondContact O-N 3.46Å; D45-V77 HydrophobicContact CB-CG2 4.25Å
46L93.1Very high91Very high0 Ų071.4 Ų71.40%035%0.353CS..EExtended strand (participates in β ladder)trans-121.5104-178.4-59.7178.9000110.3F8 K30 I33 F34 I39 V72 R74F8-L46 HydrophobicContact CE1-CD2 4.11Å; K30-L46 VanDerWaalsContact CE-O 3.26Å; K30-L46 WeakPolarHBondContact CE-O 3.46Å; K30-L46 HydrophobicContact CG-CB 4.39Å; I33-L46 HydrophobicContact CB-CD1 3.97Å; I33-L46 HydrophobicContact CG2-CD1 3.66Å; F34-L46 HydrophobicContact CD1-CD1 4.23Å; F34-L46 HydrophobicContact CD2-CD1 3.97Å; F34-L46 HydrophobicContact CE1-CD1 4.12Å; F34-L46 HydrophobicContact CE1-CG 4Å; F34-L46 HydrophobicContact CE2-CD1 3.86Å; F34-L46 HydrophobicContact CE2-CG 4.01Å; F34-L46 HydrophobicContact CG-CD1 4.14Å; F34-L46 HydrophobicContact CZ-CD1 3.93Å; F34-L46 HydrophobicContact CZ-CG 3.68Å; I39-L46 HydrophobicContact CD1-CD2 4.25Å; L46-V72 HydrophobicContact CB-CG1 4.08Å; L46-V72 HydrophobicContact CD1-CG1 4.44Å; L46-V72 HydrophobicContact CD2-CG1 3.91Å; L46-V72 HydrophobicContact CG-CG1 4.36Å; L46-R74 HydrophobicContact CD2-CG 3.91Å
47L93.8Very high91Very high52 Ų5268.6 Ų68.627%0.27234%0.342SS..EExtended strand (participates in β ladder)trans-78132166.6177.4149.2000108.9T49 V56 S73 I75L47-T49 HydrophobicContact CD2-CG2 3.49Å; L47-T49 VanDerWaalsContact CD2-CG2 3.49Å; L47-V56 HydrophobicContact CD1-CG1 3.82Å; L47-V56 HydrophobicContact CD2-CG1 4.07Å; L47-V56 HydrophobicContact CG-CG1 3.85Å; L47-S73 PolarHBondContact N-O 2.84Å; L47-S73 PolarHBondContact O-N 3.31Å; L47-I75 HydrophobicContact CB-CD1 3.55Å; L47-I75 HydrophobicContact CB-CG1 4.16Å; L47-I75 HydrophobicContact CD1-CD1 3.72Å; L47-I75 HydrophobicContact CG-CD1 4.23Å
48V95.5Very high90.8Very high0 Ų074.3 Ų74.30%037%0.369CS..EExtended strand (participates in β ladder)trans-118.2125.6-174.5-174.20000108.5L26 L29 K30 Y57 V70L26-V48 HydrophobicContact CD2-CB 4.19Å; L26-V48 HydrophobicContact CD2-CG1 4.37Å; L26-V48 HydrophobicContact CD2-CG2 4.43Å; L29-V48 HydrophobicContact CD2-CG1 4.23Å; K30-V48 HydrophobicContact CG-CG2 4.41Å; V48-Y57 HydrophobicContact CG1-CD2 4.12Å; V48-Y57 PolarHBondContact O-N 2.9Å; V48-V70 HydrophobicContact CG1-CB 3.79Å; V48-V70 HydrophobicContact CG1-CG1 3.81Å; V48-V70 HydrophobicContact CG1-CG2 4.35Å
49T95.8Very high90.7Very high20 Ų2066.2 Ų66.212%0.12335%0.351CS..EExtended strand (participates in β ladder)trans-119.4146.317475.20000110.4L47 E55 V56 V70 I71L47-T49 HydrophobicContact CD2-CG2 3.49Å; L47-T49 VanDerWaalsContact CD2-CG2 3.49Å; T49-E55 CarbonylContact C-O 3.53Å; T49-E55 WeakPolarHBondContact CA-O 3.43Å; T49-E55 WeakPolarHBondContact CB-O 3.4Å; T49-V56 HydrophobicContact CG2-CB 4.39Å; T49-V56 HydrophobicContact CG2-CG1 4.41Å; T49-V56 HydrophobicContact CG2-CG2 3.93Å; T49-V70 CarbonylContact O-C 3.58Å; T49-V70 VanDerWaalsContact O-CA 3.24Å; T49-V70 WeakPolarHBondContact O-CA 3.37Å; T49-I71 PolarHBondContact N-O 2.85Å; T49-I71 PolarHBondContact O-N 3.01Å
50N95.2Very high90.5Very high15 Ų1569.3 Ų69.38%0.0837%0.367CS..EExtended strand (participates in β ladder)trans-63135.9169-172.5-12.2000109.3Q52 T53 N54 E55 Y57 S69N50-Q52 VanDerWaalsContact C-N 3.31Å; N50-Q52 PolarHBondContact OD1-N 2.89Å; N50-T53 VanDerWaalsContact CB-OG1 3.28Å; N50-T53 WeakPolarHBondContact CB-OG1 3.48Å; N50-T53 VanDerWaalsContact CG-OG1 3.3Å; N50-T53 PolarHBondContact ND2-OG1 3.31Å; N50-N54 VanDerWaalsContact O-CA 3.25Å; N50-N54 WeakPolarHBondContact O-CA 3.46Å; N50-N54 PolarHBondContact O-N 3.02Å; N50-E55 PolarHBondContact N-O 3.01Å; N50-Y57 HydrophobicContact CB-CE2 3.89Å; N50-S69 PolarHBondContact OD1-O 3.48Å
51A92.8Very high90.7Very high27 Ų2767.5 Ų67.522%0.22337%0.374CS..THydrogen-bonded Turntrans-79.1-13.5178.600000113.5S69 I71A51-S69 VanDerWaalsContact CB-O 3.23Å; A51-S69 WeakPolarHBondContact CB-O 3.42Å; A51-S69 PolarHBondContact N-O 3.29Å; A51-I71 HydrophobicContact CB-CD1 4.27Å; A51-I71 HydrophobicContact CB-CG1 3.97Å
52Q90.4Very high91Very high157 Ų15765.8 Ų65.873%0.73436%0.36SS*.THydrogen-bonded Turntrans-98-55.9178.9-68.5177.4-51.500111.8N50N50-Q52 VanDerWaalsContact C-N 3.31Å; N50-Q52 PolarHBondContact OD1-N 2.89Å
53T93.3Very high91.4Very high73 Ų7366.8 Ų66.845%0.44836%0.364SS..THydrogen-bonded Turntrans-85.3-11.4-178.1590000113.9N50 E55N50-T53 VanDerWaalsContact CB-OG1 3.28Å; N50-T53 WeakPolarHBondContact CB-OG1 3.48Å; N50-T53 VanDerWaalsContact CG-OG1 3.3Å; N50-T53 PolarHBondContact ND2-OG1 3.31Å; T53-E55 WeakPolarHBondContact CB-OE2 3.35Å; T53-E55 PolarHBondContact O-N 3.11Å; T53-E55 VanDerWaalsContact O-N 3.11Å; T53-E55 VanDerWaalsContact OG1-CD 3.23Å; T53-E55 WeakPolarHBondContact OG1-CG 3.47Å; T53-E55 PolarHBondContact OG1-N 2.76Å; T53-E55 PolarHBondContact OG1-OE2 2.97Å
54N90.7Very high91.9Very high114 Ų11464.5 Ų64.561%0.6135%0.351SS*.  trans61.43.2-171-59.6-79.5000115.5N50N50-N54 VanDerWaalsContact O-CA 3.25Å; N50-N54 WeakPolarHBondContact O-CA 3.46Å; N50-N54 PolarHBondContact O-N 3.02Å
55E92.9Very high92.2Very high116 Ų11664.4 Ų64.454%0.54236%0.358SS..  trans-58.3137.8176.8-66.6162.5141.700111.4T49 N50 T53T49-E55 CarbonylContact C-O 3.53Å; T49-E55 WeakPolarHBondContact CA-O 3.43Å; T49-E55 WeakPolarHBondContact CB-O 3.4Å; N50-E55 PolarHBondContact N-O 3.01Å; T53-E55 WeakPolarHBondContact CB-OE2 3.35Å; T53-E55 PolarHBondContact O-N 3.11Å; T53-E55 VanDerWaalsContact O-N 3.11Å; T53-E55 VanDerWaalsContact OG1-CD 3.23Å; T53-E55 WeakPolarHBondContact OG1-CG 3.47Å; T53-E55 PolarHBondContact OG1-N 2.76Å; T53-E55 PolarHBondContact OG1-OE2 2.97Å
56V94.1Very high92.3Very high62 Ų6267.3 Ų67.338%0.37636%0.364SS..EExtended strand (participates in β ladder)trans-87.5123.5175.2-1730000108.7L47 T49 E58L47-V56 HydrophobicContact CD1-CG1 3.82Å; L47-V56 HydrophobicContact CD2-CG1 4.07Å; L47-V56 HydrophobicContact CG-CG1 3.85Å; T49-V56 HydrophobicContact CG2-CB 4.39Å; T49-V56 HydrophobicContact CG2-CG1 4.41Å; T49-V56 HydrophobicContact CG2-CG2 3.93Å; V56-E58 HydrophobicContact CB-CG 4.14Å; V56-E58 HydrophobicContact CG1-CG 3.68Å; V56-E58 PolarHBondContact O-N 2.81Å
57Y93.9Very high92.3Very high45 Ų4572.4 Ų72.418%0.17639%0.391CS..EExtended strand (participates in β ladder)trans-82.398.5169.6-61.1-76.4000108.5L26 V48 N50 A62 V64 V70L26-Y57 VanDerWaalsContact CD1-CB 3.44Å; L26-Y57 WeakPolarHBondContact CD1-O 3.48Å; L26-Y57 HydrophobicContact CD2-CD2 4.47Å; L26-Y57 HydrophobicContact CD2-CG 4.13Å; V48-Y57 HydrophobicContact CG1-CD2 4.12Å; V48-Y57 PolarHBondContact O-N 2.9Å; N50-Y57 HydrophobicContact CB-CE2 3.89Å; Y57-A62 HydrophobicContact CD1-CB 4.37Å; Y57-V64 HydrophobicContact CD2-CG2 4.35Å; Y57-V64 HydrophobicContact CE1-CG2 4.44Å; Y57-V64 HydrophobicContact CE2-CG2 4.19Å; Y57-V70 HydrophobicContact CD2-CG1 4.48Å; Y57-V70 HydrophobicContact CE2-CG1 3.88Å
58E88.5Confident92.3Very high159 Ų15970.8 Ų70.874%0.74338%0.384SS*.  trans-89.8-47.4-176.3-61.7-165.6156.500113.2V56 D60V56-E58 HydrophobicContact CB-CG 4.14Å; V56-E58 HydrophobicContact CG1-CG 3.68Å; V56-E58 PolarHBondContact O-N 2.81Å; E58-D60 PolarHBondContact O-N 3.21Å
59A87.8Confident92.3Very high56 Ų5672.5 Ų72.546%0.46340%0.396SS..SBendtrans-72.6126.2-177.800000112L26 T61 A62L26-A59 WeakPolarHBondContact CD1-O 3.26Å; A59-T61 PolarHBondContact O-N 3.42Å; A59-A62 WeakPolarHBondContact O-CB 3.47Å; A59-A62 PolarHBondContact O-N 3.17Å
60D84.6Confident92.4Very high85 Ų8571.6 Ų71.646%0.45539%0.39SS..THydrogen-bonded Turntrans-62.5-15.8-179.2-82-42.2000114.6C27 K30 E58C27-D60 HydrophobicContact CB-CB 4.39Å; C27-D60 PolarHBondContact N-O 3.47Å; C27-D60 VanDerWaalsContact N-O 3.16Å; K30-D60 WeakPolarHBondContact CE-OD1 3.45Å; K30-D60 IonicContact NZ-OD1 2.8Å; K30-D60 PolarHBondContact NZ-OD1 3.49Å; E58-D60 PolarHBondContact O-N 3.21Å
61T89.3Confident92.4Very high119 Ų11972.9 Ų72.973%0.7340%0.397SS*.THydrogen-bonded Turntrans-83.4-13.117249.40000114A59A59-T61 PolarHBondContact O-N 3.42Å
62A91.2Very high92.6Very high27 Ų2771.6 Ų71.622%0.22339%0.386CS..  trans-63.2147.7-177.700000111.8L26 Y57 A59L26-A62 HydrophobicContact CD1-CB 4.23Å; L26-A62 HydrophobicContact CG-CB 4.16Å; L26-A62 PolarHBondContact N-O 2.77Å; Y57-A62 HydrophobicContact CD1-CB 4.37Å; A59-A62 WeakPolarHBondContact O-CB 3.47Å; A59-A62 PolarHBondContact O-N 3.17Å
63V92.9Very high92.8Very high71 Ų7165.1 Ų65.143%0.4336%0.359SS..EExtended strand (participates in β ladder)trans-111.2115.5-163.4177.60000110.4H23H23-V63 HydrophobicContact CB-CG1 3.41Å; H23-V63 VanDerWaalsContact CB-CG1 3.41Å
64V94.4Very high92.8Very high0 Ų067.3 Ų67.30%036%0.359CS..EExtended strand (participates in β ladder)trans-95113.6179.1-179.80000109.3I4 H23 L24 L26 L29 Y57 S68 V70I4-V64 HydrophobicContact CD1-CB 4.23Å; I4-V64 HydrophobicContact CD1-CG1 3.73Å; I4-V64 HydrophobicContact CG1-CG1 4.1Å; I4-V64 HydrophobicContact CG2-CG1 4.36Å; H23-V64 CarbonylContact C-O 3.49Å; H23-V64 WeakPolarHBondContact CA-O 3.21Å; L24-V64 PolarHBondContact N-O 3.01Å; L24-V64 PolarHBondContact O-N 2.83Å; L26-V64 HydrophobicContact CD2-CG2 3.69Å; L29-V64 HydrophobicContact CD2-CB 4.14Å; L29-V64 HydrophobicContact CD2-CG1 4.08Å; L29-V64 HydrophobicContact CD2-CG2 3.87Å; Y57-V64 HydrophobicContact CD2-CG2 4.35Å; Y57-V64 HydrophobicContact CE1-CG2 4.44Å; Y57-V64 HydrophobicContact CE2-CG2 4.19Å; V64-S68 WeakPolarHBondContact CG1-OG 3.39Å; V64-V70 HydrophobicContact CG1-CG1 4.38Å
65V93.9Very high92.8Very high88 Ų8865.3 Ų65.353%0.53335%0.347SS..EExtended strand (participates in β ladder)trans-68.7148.8-177.1-174.10000111.1S68V65-S68 VanDerWaalsContact O-CB 3.31Å; V65-S68 WeakPolarHBondContact O-CB 3.27Å; V65-S68 PolarHBondContact O-N 2.8Å; V65-S68 PolarHBondContact O-OG 3.08Å
66R94.2Very high92.6Very high128 Ų12864 Ų6448%0.48335%0.349SS..THydrogen-bonded Turntrans-51.5151170.867.5-178.2-178.8172.40.6112.4F19 L22 S68F19-R66 HydrophobicContact CZ-CB 3.93Å; L22-R66 VanDerWaalsContact O-CB 3.31Å; L22-R66 WeakPolarHBondContact O-CB 3.34Å; L22-R66 WeakPolarHBondContact O-CG 3.32Å; L22-R66 PolarHBondContact O-N 3.07Å; R66-S68 PolarHBondContact O-N 3.13Å; R66-S68 VanDerWaalsContact O-N 3.08Å
67N92.9Very high92.1Very high107 Ų10763.2 Ų63.257%0.57234%0.344SS*.THydrogen-bonded Turntrans62.62.7179.8-54.63.1000115.2C3C3-N67 WeakPolarHBondContact O-CA 3.38Å; C3-N67 PolarHBondContact O-N 3.29Å
68S94.4Very high91Very high17 Ų1767.7 Ų67.712%0.11937%0.366CS..  trans-64.3154.1170.660.70000112.2H5 V64 V65 R66H5-S68 PolarHBondContact N-O 3.19Å; V64-S68 WeakPolarHBondContact CG1-OG 3.39Å; V65-S68 VanDerWaalsContact O-CB 3.31Å; V65-S68 WeakPolarHBondContact O-CB 3.27Å; V65-S68 PolarHBondContact O-N 2.8Å; V65-S68 PolarHBondContact O-OG 3.08Å; R66-S68 PolarHBondContact O-N 3.13Å; R66-S68 VanDerWaalsContact O-N 3.08Å
69S95.7Very high89.6Confident37 Ų3764.4 Ų64.426%0.25937%0.367SS..EExtended strand (participates in β ladder)trans-109.7132.4171.9-69.40000110H5 N50 A51H5-S69 CarbonylContact O-C 3.5Å; H5-S69 VanDerWaalsContact O-CA 3.27Å; H5-S69 WeakPolarHBondContact O-CA 3.44Å; N50-S69 PolarHBondContact OD1-O 3.48Å; A51-S69 VanDerWaalsContact CB-O 3.23Å; A51-S69 WeakPolarHBondContact CB-O 3.42Å; A51-S69 PolarHBondContact N-O 3.29Å
70V96.3Very high87.7Confident0 Ų065.7 Ų65.70%036%0.363CS..EExtended strand (participates in β ladder)trans-134.8138.3-173.9-82.50000112.7I4 H5 Y6 K7 L29 V48 T49 Y57 V64I4-V70 HydrophobicContact CG2-CG2 3.57Å; H5-V70 PolarHBondContact O-N 3.13Å; Y6-V70 VanDerWaalsContact CA-O 3.29Å; Y6-V70 WeakPolarHBondContact CA-O 3.44Å; K7-V70 PolarHBondContact N-O 3.36Å; L29-V70 HydrophobicContact CD2-CG2 4.46Å; V48-V70 HydrophobicContact CG1-CB 3.79Å; V48-V70 HydrophobicContact CG1-CG1 3.81Å; V48-V70 HydrophobicContact CG1-CG2 4.35Å; T49-V70 CarbonylContact O-C 3.58Å; T49-V70 VanDerWaalsContact O-CA 3.24Å; T49-V70 WeakPolarHBondContact O-CA 3.37Å; Y57-V70 HydrophobicContact CD2-CG1 4.48Å; Y57-V70 HydrophobicContact CE2-CG1 3.88Å; V64-V70 HydrophobicContact CG1-CG1 4.38Å
71I96.6Very high86.1Confident43 Ų4368.9 Ų68.922%0.22137%0.369CS..EExtended strand (participates in β ladder)trans-98.7129.4177.1-54.4175.3000108.6K7 K9 T49 A51K7-I71 CarbonylContact O-C 3.58Å; K7-I71 WeakPolarHBondContact O-CA 3.25Å; K9-I71 HydrophobicContact CB-CG2 4.03Å; T49-I71 PolarHBondContact N-O 2.85Å; T49-I71 PolarHBondContact O-N 3.01Å; A51-I71 HydrophobicContact CB-CD1 4.27Å; A51-I71 HydrophobicContact CB-CG1 3.97Å
72V96.2Very high84.2Confident0 Ų072.2 Ų72.20%037%0.373CS..EExtended strand (participates in β ladder)trans-111.5120.8-173.2-173.60000110.1Y6 K7 F8 K9 I33 L46Y6-V72 HydrophobicContact CD2-CG2 4.19Å; K7-V72 PolarHBondContact O-N 3.23Å; F8-V72 CarbonylContact C-O 3.6Å; F8-V72 VanDerWaalsContact CA-O 3.29Å; F8-V72 WeakPolarHBondContact CA-O 3.28Å; F8-V72 HydrophobicContact CD1-CB 4.04Å; F8-V72 HydrophobicContact CD1-CG1 3.99Å; F8-V72 WeakPolarHBondContact CD1-O 3.35Å; F8-V72 HydrophobicContact CE1-CB 4.05Å; F8-V72 HydrophobicContact CE1-CG1 3.57Å; F8-V72 HydrophobicContact CZ-CG1 4.22Å; K9-V72 PolarHBondContact N-O 3.05Å; I33-V72 HydrophobicContact CD1-CG2 4.05Å; L46-V72 HydrophobicContact CB-CG1 4.08Å; L46-V72 HydrophobicContact CD1-CG1 4.44Å; L46-V72 HydrophobicContact CD2-CG1 3.91Å; L46-V72 HydrophobicContact CG-CG1 4.36Å
73S94Very high82.1Confident21 Ų2176.7 Ų76.715%0.14739%0.393CS..EExtended strand (participates in β ladder)trans-110.9126.2178.6-64.30000110.2K9 L47K9-S73 WeakPolarHBondContact CD-OG 3.45Å; L47-S73 PolarHBondContact N-O 2.84Å; L47-S73 PolarHBondContact O-N 3.31Å
74R93.9Very high79.9Confident119 Ų11978 Ų7845%0.44940%0.402SS..EExtended strand (participates in β ladder)trans-83.9117.9178.1-59.1-178.5-170.9-167-0.8109.4F8 I39 D45 L46F8-R74 HydrophobicContact CD1-CG 3.94Å; F8-R74 HydrophobicContact CE1-CG 3.76Å; I39-R74 VanDerWaalsContact CD1-CZ 3.45Å; D45-R74 WeakPolarHBondContact O-CA 3.34Å; L46-R74 HydrophobicContact CD2-CG 3.91Å
75I90.7Very high77.6Confident72 Ų7287.5 Ų87.537%0.36944%0.444SS..EExtended strand (participates in β ladder)trans-112.5136.4-179.4-60.5-169.5000108.7F44 D45 L47 V77F44-I75 CarbonylContact C-O 3.59Å; F44-I75 VanDerWaalsContact CA-O 3.29Å; F44-I75 WeakPolarHBondContact CA-O 3.37Å; D45-I75 PolarHBondContact N-O 3.17Å; D45-I75 PolarHBondContact O-N 3.46Å; L47-I75 HydrophobicContact CB-CD1 3.55Å; L47-I75 HydrophobicContact CB-CG1 4.16Å; L47-I75 HydrophobicContact CD1-CD1 3.72Å; L47-I75 HydrophobicContact CG-CD1 4.23Å; I75-V77 PolarHBondContact O-N 3.34Å
76P89.9Confident75.5Confident89 Ų8990.2 Ų90.258%0.57845%0.454SS*.EExtended strand (participates in β ladder)trans-66.6131.4175.427.8-34.5000110.9Q78P76-Q78 PolarHBondContact O-N 2.87Å; P76-Q78 VanDerWaalsContact O-N 3.09Å
77V82.9Confident73Confident45 Ų4595.4 Ų95.427%0.27347%0.474SS..  trans-65.1113.3-178.8-173.30000109.9F44 D45 I75 A79 Q80F44-V77 VanDerWaalsContact C-CG2 3.42Å; D45-V77 HydrophobicContact CB-CG2 4.25Å; I75-V77 PolarHBondContact O-N 3.34Å; V77-A79 HydrophobicContact CG1-CB 3.99Å; V77-A79 PolarHBondContact O-N 3.28Å; V77-Q80 HydrophobicContact CB-CG 4.35Å; V77-Q80 PolarHBondContact O-N 3.47Å
78Q70.5Confident70.5Confident138 Ų13897.8 Ų97.865%0.64549%0.486SS*.G310 helixtrans-61.4-19.9-176.9-68.5-149.244.800113.9P76 Q80 R81P76-Q78 PolarHBondContact O-N 2.87Å; P76-Q78 VanDerWaalsContact O-N 3.09Å; Q78-Q80 VanDerWaalsContact C-N 3.3Å; Q78-Q80 PolarHBondContact O-N 3.05Å; Q78-R81 WeakPolarHBondContact O-CG 3.38Å
79A58.4Low68.1Low91 Ų91109.1 Ų109.175%0.75253%0.526SS*.G310 helixtrans-72.3-13.1175.200000114.7V77 R81V77-A79 HydrophobicContact CG1-CB 3.99Å; V77-A79 PolarHBondContact O-N 3.28Å; A79-R81 PolarHBondContact O-N 3.33Å; A79-R81 VanDerWaalsContact O-N 3.11Å
80Q48Very low65.6Low83 Ų83110.1 Ų110.139%0.38854%0.543SS..G310 helixtrans-75.611.1176.7-73.6-92.4-44.100113.8S42 V77 Q78 K82S42-Q80 WeakPolarHBondContact O-CG 3.44Å; S42-Q80 PolarHBondContact O-NE2 2.76Å; V77-Q80 HydrophobicContact CB-CG 4.35Å; V77-Q80 PolarHBondContact O-N 3.47Å; Q78-Q80 VanDerWaalsContact C-N 3.3Å; Q78-Q80 PolarHBondContact O-N 3.05Å; Q80-K82 PolarHBondContact O-N 2.89Å
81R51.9Low63.2Low152 Ų152117.6 Ų117.657%0.57458%0.58SS**THydrogen-bonded Turntrans-67.149.4173.7-76.7-177.2171.9107.4-9114Q78 A79Q78-R81 WeakPolarHBondContact O-CG 3.38Å; A79-R81 PolarHBondContact O-N 3.33Å; A79-R81 VanDerWaalsContact O-N 3.11Å
82K50.5Low60.8Low189 Ų189121.8 Ų121.882%0.82260%0.603SS**THydrogen-bonded Turntrans-165.99.9164.5-107.8144.2-167.71730117Q80 P84Q80-K82 PolarHBondContact O-N 2.89Å; K82-P84 WeakPolarHBondContact O-CD 3.42Å
83L46.7Very low58Low121 Ų121126 Ų12663%0.63465%0.645SS**  trans-86.8116.9166.3-90.3166000110.4
84P45.7Very low55.7Low98 Ų98131 Ų13164%0.63668%0.675SS**  trans-61.1147.2175.4-22.134000111.2K82 I86K82-P84 WeakPolarHBondContact O-CD 3.42Å; P84-I86 VanDerWaalsContact C-N 3.35Å; P84-I86 PolarHBondContact O-N 3.31Å
85K46.4Very low53.3Low199 Ų199131.4 Ų131.487%0.86569%0.69SS**  trans-70.390.9170.7-73.4176.7178.61710109.3W87K85-W87 PolarHBondContact O-N 2.88Å
86I49.1Very low51.2Low146 Ų146133.6 Ų133.675%0.74971%0.709SS**THydrogen-bonded Turntrans-73.661.9178-54.8158.5000110P84P84-I86 VanDerWaalsContact C-N 3.35Å; P84-I86 PolarHBondContact O-N 3.31Å
87W42Very low49Very low237 Ų237138 Ų13890%0.89872%0.719SS**THydrogen-bonded Turntrans-117-21172.5-115.4-61.4000113K85 R89K85-W87 PolarHBondContact O-N 2.88Å; W87-R89 PolarHBondContact O-N 2.92Å
88D41.7Very low47Very low157 Ų157145 Ų14584%0.8475%0.749SS**  trans-75.7108.1163.8-101.8-50.4000110.5G90D88-G90 PolarHBondContact O-N 2.83Å
89R43.9Very low45.7Very low254 Ų254144.2 Ų144.296%0.95875%0.753SS**  trans-92.575.7170.4-70.9-172.5-177168.25.3110W87W87-R89 PolarHBondContact O-N 2.92Å
90G42Very low44.8Very low59 Ų59145.7 Ų145.761%0.60875%0.753SS**  trans-163.1102.2179.900000114.8D88D88-G90 PolarHBondContact O-N 2.83Å
91M46.7Very low44.3Very low157 Ų157146.9 Ų146.977%0.77377%0.767SS**  trans70.4153.6158.4-8016252.700119.7
92D45.5Very low43.7Very low131 Ų131147.3 Ų147.370%0.70178%0.775SS**  trans61.283.6155.2-50-18.1000118.7V94D92-V94 PolarHBondContact O-N 2.88Å
93G37Very low43Very low87 Ų87144.1 Ų144.190%0.89777%0.772SS**  trans-75.4114.5161.600000111.6
94V47.2Very low42.4Very low126 Ų126145 Ų14576%0.76478%0.784SS**  trans-121.2130.3168.1177.80000108.1D92 P96D92-V94 PolarHBondContact O-N 2.88Å; V94-P96 WeakPolarHBondContact O-CD 3.4Å
95V42.1Very low41.8Very low128 Ų128144.6 Ų144.678%0.77678%0.784SS**PPolyproline II helixtrans-84.6123.1-178.5177.50000109.8K97V95-K97 PolarHBondContact O-N 3.14Å
96P46.6Very low41.6Very low118 Ų118142.5 Ų142.577%0.76678%0.782SS**PPolyproline II helixtrans-67.8116.9164.8-15.431000109.1V94 Q98V94-P96 WeakPolarHBondContact O-CD 3.4Å; P96-Q98 PolarHBondContact O-N 2.98Å
97K44.3Very low41.4Very low182 Ų182139.5 Ų139.579%0.79178%0.778SS**PPolyproline II helixtrans-65.8125.3175.9-178-175.7177.3-170.90109.2V95V95-K97 PolarHBondContact O-N 3.14Å
98Q41.2Very low41.4Very low192 Ų192133.3 Ų133.390%0.89776%0.763SS**PPolyproline II helixtrans-67.9133.4168.7-67.7177.2-87.800109.4P96P96-Q98 PolarHBondContact O-N 2.98Å
99V42.4Very low41.6Very low121 Ų121130.5 Ų130.573%0.73376%0.756SS**  trans-129145.3166.1179.50000106.6
100T39.6Very low41.7Very low122 Ų122122.4 Ų122.475%0.74874%0.743SS**  trans-86.3136.6-166.641.60000113.2
101T37.5Very low42.1Very low109 Ų109123.2 Ų123.267%0.66974%0.736SS**  trans44.4161.4139.2-70000121.7
102E38.7Very low42.2Very low160 Ų160120.1 Ų120.175%0.74872%0.722SS**  trans65.959.3173.9-35.6-37147.500118
103T37.8Very low42.4Very low123 Ų123115.1 Ų115.176%0.75570%0.697SS**  trans-171.1135.51488.60000112.4S105T103-S105 PolarHBondContact O-N 3.42Å; T103-S105 VanDerWaalsContact O-N 3.16Å
104P32.5Very low43.1Very low138 Ų138118.1 Ų118.190%0.89669%0.692SS**  trans-90.360.2-173.636.5-36.9000114.3
105S33.2Very low43.5Very low90 Ų90116.2 Ų116.263%0.62969%0.685SS**  trans-152.4156.5174.176.10000110.1T103T103-S105 PolarHBondContact O-N 3.42Å; T103-S105 VanDerWaalsContact O-N 3.16Å
106L43.7Very low44.1Very low156 Ų156113.6 Ų113.682%0.81768%0.676SS**SBendcis-133.521.518.9-80.1137.6000112.4
107A43.6Very low44.7Very low82 Ų82109.1 Ų109.168%0.67864%0.644SS**THydrogen-bonded Turntrans-86.3-7.6-159.100000117.4
108N42.8Very low45.2Very low107 Ų107104 Ų10457%0.57263%0.631SS**THydrogen-bonded Turntrans-104.5-4.5-168.1-67.5-2.1000115.1A110 V111 N112N108-A110 PolarHBondContact O-N 3.24Å; N108-V111 WeakPolarHBondContact O-CG2 3.39Å; N108-V111 PolarHBondContact O-N 3.35Å; N108-V111 VanDerWaalsContact O-N 3.13Å; N108-N112 PolarHBondContact O-N 3.1Å; N108-N112 VanDerWaalsContact O-N 3.17Å
109S45.2Very low46.2Very low99 Ų99104.1 Ų104.169%0.69263%0.632SS**THydrogen-bonded Turntrans-73.122.4-17377.80000115.6C113S109-C113 PolarHBondContact O-SG 3.36Å
110A46.3Very low47.5Very low84 Ų84103 Ų10369%0.69464%0.635SS**THydrogen-bonded Turntrans-130.65.9174.600000112.2N108 C113N108-A110 PolarHBondContact O-N 3.24Å; A110-C113 VanDerWaalsContact C-SG 3.55Å; A110-C113 WeakPolarHBondContact CA-SG 3.33Å
111V50.5Low48.9Very low75 Ų7598.7 Ų98.746%0.45561%0.607SS.*THydrogen-bonded Turntrans-137.8-25.5176.6-71.60000113N108 C113N108-V111 WeakPolarHBondContact O-CG2 3.39Å; N108-V111 PolarHBondContact O-N 3.35Å; N108-V111 VanDerWaalsContact O-N 3.13Å; V111-C113 PolarHBondContact O-N 2.85Å
112N48.6Very low51.1Low92 Ų9296.5 Ų96.549%0.49260%0.596SS.*SBendtrans-77.6-6.2167-92.554.1000113.8N108 L114 S115 A116N108-N112 PolarHBondContact O-N 3.1Å; N108-N112 VanDerWaalsContact O-N 3.17Å; N112-L114 VanDerWaalsContact C-N 3.3Å; N112-L114 PolarHBondContact O-N 3.45Å; N112-S115 PolarHBondContact O-N 3.1Å; N112-S115 PolarHBondContact O-OG 3.02Å; N112-A116 PolarHBondContact O-N 3.07Å
113C50.2Low53.2Low26 Ų2696.2 Ų96.218%0.17660%0.595CS.*G310 helixtrans-45.4-56.5176.1-50.50000110.8S109 A110 V111 S115 A116 Y117 E133S109-C113 PolarHBondContact O-SG 3.36Å; A110-C113 VanDerWaalsContact C-SG 3.55Å; A110-C113 WeakPolarHBondContact CA-SG 3.33Å; V111-C113 PolarHBondContact O-N 2.85Å; C113-S115 VanDerWaalsContact C-N 3.31Å; C113-S115 PolarHBondContact O-N 2.89Å; C113-A116 PolarHBondContact O-N 2.85Å; C113-Y117 WeakPolarHBondContact O-CD2 3.4Å; C113-Y117 WeakPolarHBondContact O-CE2 3.36Å; C113-E133 VanDerWaalsContact CB-CD 3.48Å; C113-E133 HydrophobicContact CB-CG 4.48Å; C113-E133 VanDerWaalsContact CB-OE1 3.26Å; C113-E133 WeakPolarHBondContact CB-OE1 3.19Å; C113-E133 WeakPolarHBondContact CB-OE2 3.35Å; C113-E133 VanDerWaalsContact SG-CD 3.58Å; C113-E133 PolarHBondContact SG-OE1 2.86Å
114L51.1Low55.4Low150 Ų15098 Ų9879%0.78559%0.594SS**G310 helixtrans-75.6-15.3-169.1-142.972.6000114.4N112N112-L114 VanDerWaalsContact C-N 3.3Å; N112-L114 PolarHBondContact O-N 3.45Å
115S56Low58Low87 Ų8795.6 Ų95.661%0.60857%0.571SS**G310 helixtrans-101.5-6.8177.955.20000113.9N112 C113N112-S115 PolarHBondContact O-N 3.1Å; N112-S115 PolarHBondContact O-OG 3.02Å; C113-S115 VanDerWaalsContact C-N 3.31Å; C113-S115 PolarHBondContact O-N 2.89Å
116A54.7Low60.5Low72 Ų7295.2 Ų95.260%0.59556%0.558SS**SBendtrans-85.1-7174.600000113.7N112 C113 S118N112-A116 PolarHBondContact O-N 3.07Å; C113-A116 PolarHBondContact O-N 2.85Å; A116-S118 PolarHBondContact O-N 3.23Å
117Y58.6Low62.5Low25 Ų2591.2 Ų91.210%0.09854%0.537CS..  trans-8972.7176.8-66.1-84.5000111.7C113 M121 K126 K129 M130 E133C113-Y117 WeakPolarHBondContact O-CD2 3.4Å; C113-Y117 WeakPolarHBondContact O-CE2 3.36Å; Y117-M121 HydrophobicContact CD1-CE 4.03Å; Y117-M121 HydrophobicContact CD1-SD 4.35Å; Y117-M121 HydrophobicContact CE1-CE 4.16Å; Y117-K126 HydrophobicContact CD1-CB 4.31Å; Y117-K126 HydrophobicContact CD1-CD 4.37Å; Y117-K126 HydrophobicContact CD1-CG 3.76Å; Y117-K126 HydrophobicContact CE1-CG 4.44Å; Y117-K126 HydrophobicContact CG-CD 4.47Å; Y117-K126 HydrophobicContact CG-CG 4.16Å; Y117-K126 PolarHBondContact O-NZ 2.94Å; Y117-K129 HydrophobicContact CE1-CB 3.92Å; Y117-K129 HydrophobicContact CE1-CD 3.78Å; Y117-K129 HydrophobicContact CE1-CG 4.02Å; Y117-K129 VanDerWaalsContact OH-C 3.25Å; Y117-K129 PolarHBondContact OH-O 2.83Å; Y117-M130 PolarHBondContact OH-N 3.11Å; Y117-E133 PolarHBondContact OH-OE2 2.92Å
118S55.7Low64.6Low74 Ų7494 Ų9452%0.51754%0.537SS..  trans-54.8158.3169.454.40000111.9A116 A120A116-S118 PolarHBondContact O-N 3.23Å; S118-A120 PolarHBondContact O-N 3.11Å; S118-A120 VanDerWaalsContact O-N 3.08Å
119E62Low66.7Low195 Ų19593.5 Ų93.591%0.91153%0.529SS*.THydrogen-bonded Turntrans-74.53.9-172.7-64.2168.1141.100113.6
120A68.3Low68.5Low96 Ų9693.1 Ų93.179%0.79352%0.518SS*.THydrogen-bonded Turntrans-84.1-15.2177.300000114.4S118S118-A120 PolarHBondContact O-N 3.11Å; S118-A120 VanDerWaalsContact O-N 3.08Å
121M69Low70.3Confident32 Ų3295 Ų9516%0.15851%0.512CS..SBendtrans-90.8142.2175.9-71.617156.200111.1Y117 E125 K129Y117-M121 HydrophobicContact CD1-CE 4.03Å; Y117-M121 HydrophobicContact CD1-SD 4.35Å; Y117-M121 HydrophobicContact CE1-CE 4.16Å; M121-E125 HydrophobicContact CE-CB 4.17Å; M121-E125 HydrophobicContact CE-CG 3.71Å; M121-E125 WeakPolarHBondContact CE-OE1 3.31Å; M121-K129 HydrophobicContact CE-CB 4.5Å; M121-K129 HydrophobicContact CE-CD 3.58Å; M121-K129 HydrophobicContact SD-CD 4.44Å
122S85.4Confident72.1Confident64 Ų6497.7 Ų97.745%0.44852%0.52SS..  trans-64.3157.1177.775.60000111.9E124 E125 K126S122-E124 PolarHBondContact O-N 3.37Å; S122-E125 PolarHBondContact O-N 2.99Å; S122-E125 WeakPolarHBondContact OG-CB 3.46Å; S122-E125 PolarHBondContact OG-N 3.45Å; S122-E125 VanDerWaalsContact OG-N 3.17Å; S122-K126 VanDerWaalsContact O-CB 3.27Å; S122-K126 WeakPolarHBondContact O-CB 3.23Å; S122-K126 PolarHBondContact O-N 3.44Å
123E81.5Confident73.8Confident154 Ų15497 Ų9772%0.7251%0.513SS*.Hα-helixtrans-57.9-37177.6-168.4-177.9164.200111.4K126 L127E123-K126 PolarHBondContact O-N 3.21Å; E123-L127 HydrophobicContact CG-CD1 4.09Å; E123-L127 WeakPolarHBondContact O-CB 3.44Å; E123-L127 WeakPolarHBondContact O-CD1 3.31Å; E123-L127 WeakPolarHBondContact O-CG 3.24Å; E123-L127 PolarHBondContact O-N 2.68Å
124E85.1Confident75.5Confident159 Ų15999.3 Ų99.374%0.74353%0.53SS*.Hα-helixtrans-69.4-41.1179.5-61.9-176.8128.700112.4S122 L127 E128S122-E124 PolarHBondContact O-N 3.37Å; E124-L127 WeakPolarHBondContact O-CB 3.22Å; E124-L127 PolarHBondContact O-N 3.03Å; E124-E128 PolarHBondContact O-N 3.3Å
125E86.5Confident77.1Confident89 Ų8996 Ų9642%0.41652%0.516SS..Hα-helixtrans-68-38.2174.7-162.4-163.5160.200111.4M121 S122 L127 E128 K129M121-E125 HydrophobicContact CE-CB 4.17Å; M121-E125 HydrophobicContact CE-CG 3.71Å; M121-E125 WeakPolarHBondContact CE-OE1 3.31Å; S122-E125 PolarHBondContact O-N 2.99Å; S122-E125 WeakPolarHBondContact OG-CB 3.46Å; S122-E125 PolarHBondContact OG-N 3.45Å; S122-E125 VanDerWaalsContact OG-N 3.17Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.98Å; E125-E128 PolarHBondContact O-N 3.18Å; E125-K129 WeakPolarHBondContact O-CB 3.49Å; E125-K129 PolarHBondContact O-N 2.9Å
126K86.4Confident78.3Confident81 Ų8197.9 Ų97.935%0.35251%0.513SS..Hα-helixtrans-64.2-34.4172.8-171.8157.1-179.4159.80111.6Y117 S122 E123 M130Y117-K126 HydrophobicContact CD1-CB 4.31Å; Y117-K126 HydrophobicContact CD1-CD 4.37Å; Y117-K126 HydrophobicContact CD1-CG 3.76Å; Y117-K126 HydrophobicContact CE1-CG 4.44Å; Y117-K126 HydrophobicContact CG-CD 4.47Å; Y117-K126 HydrophobicContact CG-CG 4.16Å; Y117-K126 PolarHBondContact O-NZ 2.94Å; S122-K126 VanDerWaalsContact O-CB 3.27Å; S122-K126 WeakPolarHBondContact O-CB 3.23Å; S122-K126 PolarHBondContact O-N 3.44Å; E123-K126 PolarHBondContact O-N 3.21Å; K126-M130 WeakPolarHBondContact O-CB 3.43Å; K126-M130 PolarHBondContact O-N 3.42Å
127L85.6Confident79.3Confident73 Ų7398.9 Ų98.938%0.38251%0.509SS..Hα-helixtrans-73.5-37.4172.7-76.9164.1000113.1E123 E124 E125 M130 Q131E123-L127 HydrophobicContact CG-CD1 4.09Å; E123-L127 WeakPolarHBondContact O-CB 3.44Å; E123-L127 WeakPolarHBondContact O-CD1 3.31Å; E123-L127 WeakPolarHBondContact O-CG 3.24Å; E123-L127 PolarHBondContact O-N 2.68Å; E124-L127 WeakPolarHBondContact O-CB 3.22Å; E124-L127 PolarHBondContact O-N 3.03Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.98Å; L127-M130 HydrophobicContact CD2-CE 3.81Å; L127-Q131 VanDerWaalsContact O-CG 3.31Å; L127-Q131 WeakPolarHBondContact O-CG 3.48Å; L127-Q131 PolarHBondContact O-N 2.81Å; L127-Q131 PolarHBondContact O-NE2 3.2Å
128E87.4Confident80.3Confident141 Ų141106 Ų10666%0.65954%0.536SS*.Hα-helixtrans-71.1-51.1178.8179.1161.7-135.800111.9E124 E125 M130 Q131 E132E124-E128 PolarHBondContact O-N 3.3Å; E125-E128 PolarHBondContact O-N 3.18Å; E128-M130 VanDerWaalsContact C-N 3.29Å; E128-M130 PolarHBondContact O-N 3.49Å; E128-Q131 CarbonylContact O-C 3.51Å; E128-Q131 WeakPolarHBondContact O-CA 3.41Å; E128-Q131 VanDerWaalsContact O-CB 3.29Å; E128-Q131 WeakPolarHBondContact O-CB 3.34Å; E128-Q131 PolarHBondContact O-N 2.82Å; E128-E132 PolarHBondContact O-N 2.9Å
129K87.3Confident81.1Confident96 Ų96105.2 Ų105.242%0.41753%0.527SS..Hα-helixtrans-67-31.2-178.5-168-177.6-167.3171.50111.7Y117 M121 E125 Q131 E132 E133Y117-K129 HydrophobicContact CE1-CB 3.92Å; Y117-K129 HydrophobicContact CE1-CD 3.78Å; Y117-K129 HydrophobicContact CE1-CG 4.02Å; Y117-K129 VanDerWaalsContact OH-C 3.25Å; Y117-K129 PolarHBondContact OH-O 2.83Å; M121-K129 HydrophobicContact CE-CB 4.5Å; M121-K129 HydrophobicContact CE-CD 3.58Å; M121-K129 HydrophobicContact SD-CD 4.44Å; E125-K129 WeakPolarHBondContact O-CB 3.49Å; E125-K129 PolarHBondContact O-N 2.9Å; K129-Q131 VanDerWaalsContact C-N 3.35Å; K129-Q131 PolarHBondContact O-N 2.89Å; K129-E132 PolarHBondContact O-N 3.03Å; K129-E133 VanDerWaalsContact O-CB 3.25Å; K129-E133 WeakPolarHBondContact O-CB 3.44Å; K129-E133 PolarHBondContact O-N 3.49Å
130M83.1Confident81.8Confident91 Ų9198.4 Ų98.445%0.44850%0.499SS..Hα-helixtrans-63.9-35.2166.5177.3172.352.500112.8Y117 K126 L127 E128 S134Y117-M130 PolarHBondContact OH-N 3.11Å; K126-M130 WeakPolarHBondContact O-CB 3.43Å; K126-M130 PolarHBondContact O-N 3.42Å; L127-M130 HydrophobicContact CD2-CE 3.81Å; E128-M130 VanDerWaalsContact C-N 3.29Å; E128-M130 PolarHBondContact O-N 3.49Å; M130-S134 VanDerWaalsContact O-CB 3.23Å; M130-S134 WeakPolarHBondContact O-CB 3.36Å; M130-S134 PolarHBondContact O-N 2.84Å; M130-S134 PolarHBondContact O-OG 2.86Å
131Q84.2Confident82.1Confident124 Ų12497.1 Ų97.158%0.57949%0.485SS*.Hα-helixtrans-69.3-43.4173.7-75.9169.28600111.6L127 E128 K129 S134 T135L127-Q131 VanDerWaalsContact O-CG 3.31Å; L127-Q131 WeakPolarHBondContact O-CG 3.48Å; L127-Q131 PolarHBondContact O-N 2.81Å; L127-Q131 PolarHBondContact O-NE2 3.2Å; E128-Q131 CarbonylContact O-C 3.51Å; E128-Q131 WeakPolarHBondContact O-CA 3.41Å; E128-Q131 VanDerWaalsContact O-CB 3.29Å; E128-Q131 WeakPolarHBondContact O-CB 3.34Å; E128-Q131 PolarHBondContact O-N 2.82Å; K129-Q131 VanDerWaalsContact C-N 3.35Å; K129-Q131 PolarHBondContact O-N 2.89Å; Q131-S134 PolarHBondContact O-N 3.2Å; Q131-S134 PolarHBondContact O-OG 3.38Å; Q131-T135 WeakPolarHBondContact O-CB 3.37Å; Q131-T135 WeakPolarHBondContact O-CG2 3.26Å; Q131-T135 PolarHBondContact O-N 2.79Å; Q131-T135 VanDerWaalsContact O-N 3.16Å; Q131-T135 PolarHBondContact O-OG1 3.45Å
132E87.3Confident82.3Confident131 Ų131101.6 Ų101.661%0.61250%0.5SS*.Hα-helixtrans-60-52.5174.5-174.4177.8-152.200111.3E128 K129 S134 T135 F136E128-E132 PolarHBondContact O-N 2.9Å; K129-E132 PolarHBondContact O-N 3.03Å; E132-S134 VanDerWaalsContact C-N 3.27Å; E132-S134 PolarHBondContact O-N 3.48Å; E132-T135 CarbonylContact O-C 3.51Å; E132-T135 PolarHBondContact O-N 3.45Å; E132-T135 PolarHBondContact O-OG1 3.4Å; E132-F136 PolarHBondContact O-N 3.38Å
133E84.9Confident81.3Confident77 Ų77105 Ų10536%0.3650%0.504SS..Hα-helixtrans-61-35.6-178.7-167.2165.8-149.200111.9C113 Y117 K129 T135C113-E133 VanDerWaalsContact CB-CD 3.48Å; C113-E133 HydrophobicContact CB-CG 4.48Å; C113-E133 VanDerWaalsContact CB-OE1 3.26Å; C113-E133 WeakPolarHBondContact CB-OE1 3.19Å; C113-E133 WeakPolarHBondContact CB-OE2 3.35Å; C113-E133 VanDerWaalsContact SG-CD 3.58Å; C113-E133 PolarHBondContact SG-OE1 2.86Å; Y117-E133 PolarHBondContact OH-OE2 2.92Å; K129-E133 VanDerWaalsContact O-CB 3.25Å; K129-E133 WeakPolarHBondContact O-CB 3.44Å; K129-E133 PolarHBondContact O-N 3.49Å; E133-T135 VanDerWaalsContact C-N 3.31Å; E133-T135 PolarHBondContact O-N 2.91Å
134S85.4Confident80.4Confident75 Ų75102.2 Ų102.252%0.52449%0.491SS..Hα-helixtrans-71.5-18.8173.379.80000114.8M130 Q131 E132M130-S134 VanDerWaalsContact O-CB 3.23Å; M130-S134 WeakPolarHBondContact O-CB 3.36Å; M130-S134 PolarHBondContact O-N 2.84Å; M130-S134 PolarHBondContact O-OG 2.86Å; Q131-S134 PolarHBondContact O-N 3.2Å; Q131-S134 PolarHBondContact O-OG 3.38Å; E132-S134 VanDerWaalsContact C-N 3.27Å; E132-S134 PolarHBondContact O-N 3.48Å
135T84.8Confident79.1Confident80 Ų80104.3 Ų104.349%0.49149%0.492SS..Hα-helixtrans-107.8-19.2-17654.10000113.9Q131 E132 E133 D137 Y138 D139Q131-T135 WeakPolarHBondContact O-CB 3.37Å; Q131-T135 WeakPolarHBondContact O-CG2 3.26Å; Q131-T135 PolarHBondContact O-N 2.79Å; Q131-T135 VanDerWaalsContact O-N 3.16Å; Q131-T135 PolarHBondContact O-OG1 3.45Å; E132-T135 CarbonylContact O-C 3.51Å; E132-T135 PolarHBondContact O-N 3.45Å; E132-T135 PolarHBondContact O-OG1 3.4Å; E133-T135 VanDerWaalsContact C-N 3.31Å; E133-T135 PolarHBondContact O-N 2.91Å; T135-D137 VanDerWaalsContact C-N 3.3Å; T135-D137 PolarHBondContact O-N 2.73Å; T135-Y138 WeakPolarHBondContact O-CA 3.41Å; T135-Y138 WeakPolarHBondContact O-CB 3.5Å; T135-Y138 PolarHBondContact O-N 2.77Å; T135-D139 PolarHBondContact O-N 2.7Å
136F81.7Confident77.7Confident127 Ų127109.7 Ų109.756%0.55751%0.514SS*.Hα-helixtrans-53.8-41.1177.4-178-104.1000113.6E132 Y138 D139E132-F136 PolarHBondContact O-N 3.38Å; F136-Y138 PolarHBondContact O-N 3.19Å; F136-D139 PolarHBondContact O-N 2.71Å; F136-D139 VanDerWaalsContact O-N 3.15Å
137D74.9Confident76.2Confident93 Ų93111.2 Ų111.250%0.49752%0.522SS..THydrogen-bonded Turntrans-62.5-23.6177.1-118.832.1000112.7T135 R142 Y143T135-D137 VanDerWaalsContact C-N 3.3Å; T135-D137 PolarHBondContact O-N 2.73Å; D137-R142 IonicContact OD1-CZ 3.71Å; D137-R142 IonicContact OD1-NH1 2.95Å; D137-R142 PolarHBondContact OD1-NH1 3.24Å; D137-R142 IonicContact OD1-NH2 3.72Å; D137-Y143 PolarHBondContact O-OH 3.27Å
138Y79.3Confident74.7Confident173 Ų173113.9 Ų113.968%0.67854%0.536SS*.THydrogen-bonded Turntrans-95.1-0179.1-72-73.3000114.7T135 F136 P140T135-Y138 WeakPolarHBondContact O-CA 3.41Å; T135-Y138 WeakPolarHBondContact O-CB 3.5Å; T135-Y138 PolarHBondContact O-N 2.77Å; F136-Y138 PolarHBondContact O-N 3.19Å; Y138-P140 WeakPolarHBondContact O-CD 3.38Å
139D72.5Confident73.3Confident59 Ų59113.6 Ų113.632%0.31654%0.537SS..  trans-58.9125.5179.9169.251.8000111.5T135 F136 S141 R142 Y143T135-D139 PolarHBondContact O-N 2.7Å; F136-D139 PolarHBondContact O-N 2.71Å; F136-D139 VanDerWaalsContact O-N 3.15Å; D139-S141 PolarHBondContact O-N 3.38Å; D139-S141 WeakPolarHBondContact OD2-CA 3.48Å; D139-S141 WeakPolarHBondContact OD2-CB 3.28Å; D139-S141 PolarHBondContact OD2-N 3.49Å; D139-S141 PolarHBondContact OD2-OG 3.36Å; D139-R142 PolarHBondContact O-N 2.91Å; D139-R142 VanDerWaalsContact O-N 3.12Å; D139-Y143 WeakPolarHBondContact O-CD2 3.42Å
140P76.3Confident72.1Confident52 Ų52109.8 Ų109.834%0.33852%0.524SS..Hα-helixtrans-55.6-16.7178.818.1-33000115.9Y138 Y143 Q144 R850Y138-P140 WeakPolarHBondContact O-CD 3.38Å; P140-Y143 PolarHBondContact O-N 3.46Å; P140-Q144 VanDerWaalsContact O-CG 3.25Å; P140-Q144 WeakPolarHBondContact O-CG 3.48Å; P140-Q144 PolarHBondContact O-N 2.91Å; P140-Q144 VanDerWaalsContact O-N 3.16Å; P140-Q144 PolarHBondContact O-NE2 3.31Å; P140-R850 VanDerWaalsContact CG-NH2 3.34Å
141S75.1Confident71.2Confident69 Ų69111.3 Ų111.348%0.48354%0.539SS..Hα-helixtrans-67.6-39.2175.4-37.60000111.8D139 Y143 Q144D139-S141 PolarHBondContact O-N 3.38Å; D139-S141 WeakPolarHBondContact OD2-CA 3.48Å; D139-S141 WeakPolarHBondContact OD2-CB 3.28Å; D139-S141 PolarHBondContact OD2-N 3.49Å; D139-S141 PolarHBondContact OD2-OG 3.36Å; S141-Y143 VanDerWaalsContact C-N 3.26Å; S141-Y143 PolarHBondContact O-N 2.84Å; S141-Q144 PolarHBondContact O-N 2.89Å
142R72.6Confident70.7Confident125 Ų125107.6 Ų107.647%0.47253%0.534SS..Hα-helixtrans-58.1-36.9173.8-88.9-176.8167.4-157.110.6112.8D137 D139D137-R142 IonicContact OD1-CZ 3.71Å; D137-R142 IonicContact OD1-NH1 2.95Å; D137-R142 PolarHBondContact OD1-NH1 3.24Å; D137-R142 IonicContact OD1-NH2 3.72Å; D139-R142 PolarHBondContact O-N 2.91Å; D139-R142 VanDerWaalsContact O-N 3.12Å
143Y66Low70.2Confident136 Ų136107.8 Ų107.853%0.53354%0.543SS..Hα-helixtrans-83.5-23.8-178.1-60.7-81.7000114.2D137 D139 P140 S141 R145 K146D137-Y143 PolarHBondContact O-OH 3.27Å; D139-Y143 WeakPolarHBondContact O-CD2 3.42Å; P140-Y143 PolarHBondContact O-N 3.46Å; S141-Y143 VanDerWaalsContact C-N 3.26Å; S141-Y143 PolarHBondContact O-N 2.84Å; Y143-R145 VanDerWaalsContact C-N 3.33Å; Y143-R145 PolarHBondContact O-N 2.96Å; Y143-K146 PolarHBondContact O-N 2.74Å
144Q62.2Low70.2Confident96 Ų96104.6 Ų104.645%0.44953%0.529SS..Hα-helixtrans-65.4-28.4-174.5-85.7170.197.600114.3P140 S141 K146 H147 L148P140-Q144 VanDerWaalsContact O-CG 3.25Å; P140-Q144 WeakPolarHBondContact O-CG 3.48Å; P140-Q144 PolarHBondContact O-N 2.91Å; P140-Q144 VanDerWaalsContact O-N 3.16Å; P140-Q144 PolarHBondContact O-NE2 3.31Å; S141-Q144 PolarHBondContact O-N 2.89Å; Q144-K146 PolarHBondContact O-N 2.9Å; Q144-H147 PolarHBondContact O-N 2.74Å; Q144-L148 WeakPolarHBondContact O-CD1 3.27Å
145R56.8Low70Confident202 Ų202105.4 Ų105.476%0.76253%0.533SS*.Hα-helixtrans-56.2-23.9176.4-84.1-167.1-76.5165.1-8.5114Y143 H147Y143-R145 VanDerWaalsContact C-N 3.33Å; Y143-R145 PolarHBondContact O-N 2.96Å; R145-H147 PolarHBondContact O-N 2.82Å
146K57.4Low69.8Low203 Ų203106.2 Ų106.288%0.88355%0.547SS*.Hα-helixtrans-79.30.2175.8-128.9165.6-173170.40114.2Y143 Q144Y143-K146 PolarHBondContact O-N 2.74Å; Q144-K146 PolarHBondContact O-N 2.9Å
147H54.6Low70Confident113 Ų113107.8 Ų107.852%0.52356%0.562SS.*Hα-helixtrans-113.8-27.6175.4-149.3-81.1000114.8Q144 R145 I149 A150 K171Q144-H147 PolarHBondContact O-N 2.74Å; R145-H147 PolarHBondContact O-N 2.82Å; H147-I149 PolarHBondContact O-N 3.04Å; H147-I149 VanDerWaalsContact O-N 3.14Å; H147-A150 PolarHBondContact O-N 3.44Å; H147-K171 PolarHBondContact CD2-NZ 2.76Å; H147-K171 PolarHBondContact CE1-NZ 2.87Å; H147-K171 PolarHBondContact NE2-NZ 3.47Å
148L54Low70.6Confident128 Ų128106.2 Ų106.267%0.6755%0.549SS*.Hα-helixtrans-59.5-24.8177.8-87.571.1000113.3Q144 A150Q144-L148 WeakPolarHBondContact O-CD1 3.27Å; L148-A150 PolarHBondContact O-N 3.29Å
149I59.6Low70.9Confident135 Ų135102.7 Ų102.769%0.69254%0.541SS*.THydrogen-bonded Turntrans-37.8-51.5162.655.3163.5000114H147 T151 W169H147-I149 PolarHBondContact O-N 3.04Å; H147-I149 VanDerWaalsContact O-N 3.14Å; I149-T151 PolarHBondContact O-N 3.03Å; I149-W169 VanDerWaalsContact C-CH2 3.44Å; I149-W169 HydrophobicContact CB-CH2 4.13Å; I149-W169 WeakPolarHBondContact O-CH2 3.45Å; I149-W169 WeakPolarHBondContact O-CZ2 3.29Å
150A61.7Low71.5Confident16 Ų1699.9 Ų99.913%0.13253%0.526CS..THydrogen-bonded Turntrans-105.632.2-140.500000115.5H147 L148 W169 K171H147-A150 PolarHBondContact O-N 3.44Å; L148-A150 PolarHBondContact O-N 3.29Å; A150-W169 HydrophobicContact CB-CE3 3.94Å; A150-W169 HydrophobicContact CB-CH2 4.49Å; A150-W169 HydrophobicContact CB-CZ3 3.91Å; A150-K171 HydrophobicContact CB-CD 4.16Å; A150-K171 VanDerWaalsContact CB-NZ 3.26Å
151T64.3Low71.9Confident124 Ų124102.6 Ų102.676%0.76154%0.538SS*.SBendtrans-13630.2-170.4-31.40000113.4I149I149-T151 PolarHBondContact O-N 3.03Å
152G72.5Confident72Confident46 Ų46102 Ų10247%0.47453%0.525SS..SBendtrans-145.4-179.1176.100000112.6W169G152-W169 PolarHBondContact O-NE1 2.94Å
153V77.8Confident72.4Confident134 Ų13498 Ų9881%0.81252%0.516SS*.PPolyproline II helixtrans-62.8131.9169.8-1780000108.4
154P83.5Confident73.2Confident10 Ų1093.3 Ų93.37%0.06551%0.509CS..PPolyproline II helixtrans-72.3156.1-179.732.7-36.4000111Y158 G167 W169P154-Y158 HydrophobicContact CB-CD1 3.86Å; P154-Y158 HydrophobicContact CB-CG 4Å; P154-Y158 HydrophobicContact CG-CD1 4.23Å; P154-G167 WeakPolarHBondContact CD-O 3.46Å; P154-G167 VanDerWaalsContact CG-C 3.41Å; P154-W169 HydrophobicContact CB-CG 4.47Å
155P82.1Confident74.1Confident92 Ų9294.7 Ų94.760%0.59752%0.515SS*.PPolyproline II helixtrans-55.2148.3174.3-24.734.4000112.1N157 Y158P155-N157 PolarHBondContact O-N 3.14Å; P155-Y158 VanDerWaalsContact O-CB 3.24Å; P155-Y158 WeakPolarHBondContact O-CB 3.28Å; P155-Y158 PolarHBondContact O-N 3.29Å
156A80.1Confident75.5Confident97 Ų9788.4 Ų88.480%0.80250%0.501SS*.THydrogen-bonded Turntrans-55-29.8-176.700000114.2Y158A156-Y158 VanDerWaalsContact C-N 3.28Å; A156-Y158 PolarHBondContact O-N 2.89Å
157N86.4Confident76.8Confident161 Ų16181.3 Ų81.386%0.86149%0.485SS*.THydrogen-bonded Turntrans-80.2-2.6178-62-9.3000113.8P155P155-N157 PolarHBondContact O-N 3.14Å
158Y87.6Confident78.3Confident59 Ų5977.4 Ų77.423%0.23147%0.467CS..PPolyproline II helixtrans-83.5117.8178.2-176.9-90.4000111.2P154 P155 A156 C160 P166 H168 I170P154-Y158 HydrophobicContact CB-CD1 3.86Å; P154-Y158 HydrophobicContact CB-CG 4Å; P154-Y158 HydrophobicContact CG-CD1 4.23Å; P155-Y158 VanDerWaalsContact O-CB 3.24Å; P155-Y158 WeakPolarHBondContact O-CB 3.28Å; P155-Y158 PolarHBondContact O-N 3.29Å; A156-Y158 VanDerWaalsContact C-N 3.28Å; A156-Y158 PolarHBondContact O-N 2.89Å; Y158-C160 HydrophobicContact CE1-CB 4.27Å; Y158-P166 WeakPolarHBondContact O-CA 3.3Å; Y158-H168 VanDerWaalsContact CE1-O 3.23Å; Y158-H168 WeakPolarHBondContact CE1-O 3.48Å; Y158-I170 PolarHBondContact OH-N 2.8Å
159I85.4Confident79.9Confident100 Ų10073.9 Ų73.951%0.51345%0.445SS..BIsolated β-bridgetrans-104130.4171.7-57.1175.6000108.1N161 G164I159-N161 PolarHBondContact O-N 3.39Å; I159-G164 VanDerWaalsContact CG2-O 3.23Å; I159-G164 WeakPolarHBondContact CG2-O 3.31Å
160C86.1Confident81Confident0 Ų071.2 Ų71.20%043%0.431CS..PPolyproline II helixtrans-70.5116.1-178176.90000111.8Y158 R162 C163 G164 Q165 H168Y158-C160 HydrophobicContact CE1-CB 4.27Å; C160-R162 PolarHBondContact O-N 3.2Å; C160-C163 PolarHBondContact O-N 3.13Å; C160-G164 WeakPolarHBondContact O-CA 3.47Å; C160-G164 PolarHBondContact O-N 2.79Å; C160-Q165 VanDerWaalsContact CB-O 3.22Å; C160-Q165 WeakPolarHBondContact CB-O 3.41Å; C160-Q165 PolarHBondContact N-O 2.88Å; C160-H168 WeakPolarHBondContact CB-NE2 3.36Å; C160-H168 PolarHBondContact SG-NE2 3.33Å
161N83.5Confident82Confident108 Ų10875.9 Ų75.958%0.57845%0.448SS*.THydrogen-bonded Turntrans-63.66.8179.5-77.6-17.4000115.7I159 I170 R180I159-N161 PolarHBondContact O-N 3.39Å; N161-I170 HydrophobicContact CB-CD1 4.17Å; N161-R180 PolarHBondContact O-NH1 3.04Å
162R78.2Confident82.7Confident58 Ų5876.7 Ų76.722%0.21945%0.445CS..THydrogen-bonded Turntrans-112.3-36.1177.2-167.1176.5-164.4177.5-3.5114.6C160 I170 C173 S175 S176 N177 I178 R180C160-R162 PolarHBondContact O-N 3.2Å; R162-I170 HydrophobicContact CB-CG1 4.14Å; R162-C173 HydrophobicContact CB-CB 4.39Å; R162-S175 PolarHBondContact NE-O 3.19Å; R162-S176 VanDerWaalsContact CZ-C 3.47Å; R162-S176 PolarHBondContact NH1-O 2.98Å; R162-S176 VanDerWaalsContact NH2-C 3.25Å; R162-S176 PolarHBondContact NH2-O 3.12Å; R162-N177 PolarHBondContact NH2-O 3.35Å; R162-I178 VanDerWaalsContact CZ-O 3.29Å; R162-I178 PolarHBondContact NE-O 3.2Å; R162-I178 PolarHBondContact NH2-O 2.95Å; R162-R180 VanDerWaalsContact C-CZ 3.49Å; R162-R180 PolarHBondContact O-NE 3.09Å; R162-R180 PolarHBondContact O-NH2 3.15Å; R162-R180 VanDerWaalsContact O-NH2 3.14Å
163C81.1Confident83.1Confident40 Ų4074.7 Ų74.727%0.2742%0.424SS..THydrogen-bonded Turntrans-115.6-19.2176.863.80000114.1C160 Q165 H168 C173C160-C163 PolarHBondContact O-N 3.13Å; C163-Q165 VanDerWaalsContact C-N 3.34Å; C163-Q165 PolarHBondContact SG-N 2.71Å; C163-Q165 VanDerWaalsContact SG-N 3.39Å; C163-H168 PolarHBondContact SG-CE1 3.48Å; C163-H168 PolarHBondContact SG-NE2 3.41Å; C163-C173 VanDerWaalsContact SG-SG 3.61Å
164G82.1Confident83.2Confident38 Ų3873.6 Ų73.639%0.39242%0.419SS..SBendtrans82.94.2-174.700000114.9I159 C160I159-G164 VanDerWaalsContact CG2-O 3.23Å; I159-G164 WeakPolarHBondContact CG2-O 3.31Å; C160-G164 WeakPolarHBondContact O-CA 3.47Å; C160-G164 PolarHBondContact O-N 2.79Å
165Q80.3Confident82.7Confident125 Ų12574.5 Ų74.558%0.58443%0.426SS*.  trans-96.5147.8176.4-59.8-65.7-11.800111.3C160 C163 H168C160-Q165 VanDerWaalsContact CB-O 3.22Å; C160-Q165 WeakPolarHBondContact CB-O 3.41Å; C160-Q165 PolarHBondContact N-O 2.88Å; C163-Q165 VanDerWaalsContact C-N 3.34Å; C163-Q165 PolarHBondContact SG-N 2.71Å; C163-Q165 VanDerWaalsContact SG-N 3.39Å; Q165-H168 PolarHBondContact O-CE1 3.02Å
166P87.9Confident81.9Confident70 Ų7073 Ų7346%0.45542%0.418SS..BIsolated β-bridgetrans-77.8-172.1174.433.8-36.1000112.7Y158 H168Y158-P166 WeakPolarHBondContact O-CA 3.3Å; P166-H168 VanDerWaalsContact C-N 3.31Å; P166-H168 PolarHBondContact O-N 3.25Å; P166-H168 PolarHBondContact O-ND1 3.12Å
167G84Confident81.2Confident53 Ų5375.1 Ų75.155%0.54642%0.415SS..SBendtrans81-8.3165.400000116.9P154P154-G167 WeakPolarHBondContact CD-O 3.46Å; P154-G167 VanDerWaalsContact CG-C 3.41Å
168H87Confident80.5Confident32 Ų3269.4 Ų69.415%0.14839%0.385CS..SBendtrans-144.8151.5177.266.1-77000112Y158 C160 C163 Q165 P166 M172 C173Y158-H168 VanDerWaalsContact CE1-O 3.23Å; Y158-H168 WeakPolarHBondContact CE1-O 3.48Å; C160-H168 WeakPolarHBondContact CB-NE2 3.36Å; C160-H168 PolarHBondContact SG-NE2 3.33Å; C163-H168 PolarHBondContact SG-CE1 3.48Å; C163-H168 PolarHBondContact SG-NE2 3.41Å; Q165-H168 PolarHBondContact O-CE1 3.02Å; P166-H168 VanDerWaalsContact C-N 3.31Å; P166-H168 PolarHBondContact O-N 3.25Å; P166-H168 PolarHBondContact O-ND1 3.12Å; H168-M172 PolarHBondContact CD2-O 3.1Å; H168-C173 WeakPolarHBondContact CD2-CA 3.15Å; H168-C173 PolarHBondContact NE2-SG 3.15Å; H168-C173 VanDerWaalsContact NE2-SG 3.43Å
169W86.2Confident79.9Confident54 Ų5472.4 Ų72.421%0.20540%0.399CS..  trans-72.1154.6178.5-72.572.5000112.1I149 A150 G152 P154 K171 M172 C173I149-W169 VanDerWaalsContact C-CH2 3.44Å; I149-W169 HydrophobicContact CB-CH2 4.13Å; I149-W169 WeakPolarHBondContact O-CH2 3.45Å; I149-W169 WeakPolarHBondContact O-CZ2 3.29Å; A150-W169 HydrophobicContact CB-CE3 3.94Å; A150-W169 HydrophobicContact CB-CH2 4.49Å; A150-W169 HydrophobicContact CB-CZ3 3.91Å; G152-W169 PolarHBondContact O-NE1 2.94Å; P154-W169 HydrophobicContact CB-CG 4.47Å; W169-K171 PolarHBondContact O-N 2.95Å; W169-M172 HydrophobicContact CB-CB 4.43Å; W169-M172 HydrophobicContact CB-CG 4.38Å; W169-M172 CarbonylContact O-C 3.3Å; W169-M172 VanDerWaalsContact O-C 3.3Å; W169-M172 WeakPolarHBondContact O-CA 3.38Å; W169-M172 PolarHBondContact O-N 2.78Å; W169-C173 PolarHBondContact O-N 2.87Å
170I83.6Confident79.6Confident78 Ų7873 Ų7340%0.440%0.395SS..G310 helixtrans-53.8-28.6172-165.9173.3000114Y158 N161 R162Y158-I170 PolarHBondContact OH-N 2.8Å; N161-I170 HydrophobicContact CB-CD1 4.17Å; R162-I170 HydrophobicContact CB-CG1 4.14Å
171K82.1Confident79.2Confident114 Ų11474.5 Ų74.550%0.49640%0.404SS..G310 helixtrans-70.6-34.8172.5-62.7-176-175.4174.50113H147 A150 W169H147-K171 PolarHBondContact CD2-NZ 2.76Å; H147-K171 PolarHBondContact CE1-NZ 2.87Å; H147-K171 PolarHBondContact NE2-NZ 3.47Å; A150-K171 HydrophobicContact CB-CD 4.16Å; A150-K171 VanDerWaalsContact CB-NZ 3.26Å; W169-K171 PolarHBondContact O-N 2.95Å
172M78.8Confident79Confident141 Ų14174.8 Ų74.870%0.69541%0.409SS*.G310 helixtrans-101.530.7-176.6-57.6-58.9-72.200111.4H168 W169H168-M172 PolarHBondContact CD2-O 3.1Å; W169-M172 HydrophobicContact CB-CB 4.43Å; W169-M172 HydrophobicContact CB-CG 4.38Å; W169-M172 CarbonylContact O-C 3.3Å; W169-M172 VanDerWaalsContact O-C 3.3Å; W169-M172 WeakPolarHBondContact O-CA 3.38Å; W169-M172 PolarHBondContact O-N 2.78Å
173C82.1Confident79.2Confident5 Ų576.1 Ų76.13%0.03444%0.442CS..  trans-78.9127.5-176.3-168.90000111.3R162 C163 H168 W169 S175 S176R162-C173 HydrophobicContact CB-CB 4.39Å; C163-C173 VanDerWaalsContact SG-SG 3.61Å; H168-C173 WeakPolarHBondContact CD2-CA 3.15Å; H168-C173 PolarHBondContact NE2-SG 3.15Å; H168-C173 VanDerWaalsContact NE2-SG 3.43Å; W169-C173 PolarHBondContact O-N 2.87Å; C173-S175 PolarHBondContact O-N 3.37Å; C173-S175 PolarHBondContact SG-OG 3.18Å; C173-S175 VanDerWaalsContact SG-OG 3.36Å; C173-S176 WeakPolarHBondContact O-CA 3.46Å; C173-S176 VanDerWaalsContact O-CB 3.24Å; C173-S176 WeakPolarHBondContact O-CB 3.44Å; C173-S176 PolarHBondContact O-N 2.79Å
174P80.4Confident79.2Confident110 Ų11077 Ų7771%0.71444%0.443SS*.SBendtrans-64.1-24.8-17923.9-32.8000113.1S176P174-S176 PolarHBondContact O-N 2.78Å
175S71.5Confident79.3Confident30 Ų3078.5 Ų78.521%0.2145%0.446CS..SBendtrans-81.847.7165.858.70000112.2R162 C173 N177R162-S175 PolarHBondContact NE-O 3.19Å; C173-S175 PolarHBondContact O-N 3.37Å; C173-S175 PolarHBondContact SG-OG 3.18Å; C173-S175 VanDerWaalsContact SG-OG 3.36Å; S175-N177 PolarHBondContact O-N 3.27Å
176S65.6Low79.5Confident61 Ų6180.5 Ų80.543%0.42745%0.453SS..  trans-60.3-19.2-165.157.50000116R162 C173 P174R162-S176 VanDerWaalsContact CZ-C 3.47Å; R162-S176 PolarHBondContact NH1-O 2.98Å; R162-S176 VanDerWaalsContact NH2-C 3.25Å; R162-S176 PolarHBondContact NH2-O 3.12Å; C173-S176 WeakPolarHBondContact O-CA 3.46Å; C173-S176 VanDerWaalsContact O-CB 3.24Å; C173-S176 WeakPolarHBondContact O-CB 3.44Å; C173-S176 PolarHBondContact O-N 2.79Å; P174-S176 PolarHBondContact O-N 2.78Å
177N65.6Low79.3Confident140 Ų14081.1 Ų81.175%0.74947%0.471SS*.SBendtrans-105-31.2-172-66.1-26000114.2R162 S175R162-N177 PolarHBondContact NH2-O 3.35Å; S175-N177 PolarHBondContact O-N 3.27Å
178I70.6Confident79.4Confident42 Ų4283.7 Ų83.722%0.21547%0.469CS..PPolyproline II helixtrans-83.6141.3-171-51.7144.1000111.2R162 L201 Y207R162-I178 VanDerWaalsContact CZ-O 3.29Å; R162-I178 PolarHBondContact NE-O 3.2Å; R162-I178 PolarHBondContact NH2-O 2.95Å; I178-L201 HydrophobicContact CB-CD1 4.09Å; I178-L201 HydrophobicContact CD1-CD1 4.28Å; I178-L201 HydrophobicContact CG2-CB 4.17Å; I178-L201 HydrophobicContact CG2-CD1 3.66Å; I178-L201 HydrophobicContact CG2-CG 3.68Å; I178-Y207 HydrophobicContact CD1-CE1 3.87Å; I178-Y207 HydrophobicContact CG1-CE1 4.31Å; I178-Y207 HydrophobicContact CG2-CD1 4.49Å; I178-Y207 HydrophobicContact CG2-CE1 4.26Å
179K76.5Confident79.5Confident121 Ų12183.4 Ų83.453%0.52647%0.469SS..EExtended strand (participates in β ladder)trans-101.8147.1-179.9-63.5165.9-171.5159.60110.2M200 L201K179-M200 HydrophobicContact CB-CE 3.96Å; K179-M200 HydrophobicContact CB-CG 4.46Å; K179-M200 CarbonylContact O-C 3.42Å; K179-M200 WeakPolarHBondContact O-CA 3.4Å; K179-M200 WeakPolarHBondContact O-CB 3.18Å; K179-L201 PolarHBondContact O-N 3.25Å
180R77.8Confident79.4Confident113 Ų11385 Ų8543%0.42648%0.48SS..EExtended strand (participates in β ladder)trans-85.1144.5173.8-75-179.9171.1-169-13.1111.1N161 R162 T182 M200 L201N161-R180 PolarHBondContact O-NH1 3.04Å; R162-R180 VanDerWaalsContact C-CZ 3.49Å; R162-R180 PolarHBondContact O-NE 3.09Å; R162-R180 PolarHBondContact O-NH2 3.15Å; R162-R180 VanDerWaalsContact O-NH2 3.14Å; R180-T182 PolarHBondContact O-N 3.07Å; R180-M200 VanDerWaalsContact O-CE 3.28Å; R180-M200 WeakPolarHBondContact O-CE 3.23Å; R180-L201 WeakPolarHBondContact CA-O 3.46Å
181T78.7Confident79.6Confident32 Ų3287.6 Ų87.620%0.19649%0.49CS..  trans-72.2105.9177.261.30000110.7L189 M200 L201 T202T181-L189 HydrophobicContact CG2-CD2 3.64Å; T181-L189 HydrophobicContact CG2-CG 4.39Å; T181-M200 HydrophobicContact CG2-CB 3.58Å; T181-L201 PolarHBondContact N-O 3.11Å; T181-L201 PolarHBondContact OG1-O 3.27Å; T181-T202 WeakPolarHBondContact OG1-CA 3.46Å
182T79.6Confident79.6Confident113 Ų11383.3 Ų83.369%0.69347%0.473SS*.  trans-117.5128.3179.252.60000111.3R180 I184R180-T182 PolarHBondContact O-N 3.07Å; T182-I184 PolarHBondContact O-N 2.97Å; T182-I184 VanDerWaalsContact O-N 3.12Å
183G81.5Confident80Confident87 Ų8780.5 Ų80.590%0.89746%0.464SS*.SBendtrans79.5-25.517400000116.3
184I81.6Confident80Confident59 Ų5983.1 Ų83.130%0.30349%0.486SS..  trans-77.4131-179-49.7176.5000110.6T182 E188 L189 P210T182-I184 PolarHBondContact O-N 2.97Å; T182-I184 VanDerWaalsContact O-N 3.12Å; I184-E188 HydrophobicContact CG2-CB 3.75Å; I184-L189 HydrophobicContact CB-CD1 3.85Å; I184-L189 HydrophobicContact CG2-CD1 3.36Å; I184-P210 HydrophobicContact CD1-CG 3.88Å
185P84.6Confident80Confident68 Ų6884.2 Ų84.244%0.44249%0.486SS..  trans-63.4147174.5-22.534.2000113.3G187 E188P185-G187 PolarHBondContact O-N 3.31Å; P185-G187 VanDerWaalsContact O-N 3.12Å; P185-E188 WeakPolarHBondContact CD-OE1 3.34Å; P185-E188 WeakPolarHBondContact CG-OE1 3.43Å; P185-E188 PolarHBondContact O-N 3.5Å
186K83.2Confident80.3Confident168 Ų16885.1 Ų85.173%0.7349%0.488SS*.G310 helixtrans-55.1-32178-72.9-168.5176.2-170.10114.1E188 L189K186-E188 PolarHBondContact O-N 2.79Å; K186-L189 PolarHBondContact O-N 2.92Å
187G84.9Confident80.9Confident82 Ų8287.7 Ų87.785%0.84550%0.504SS*.G310 helixtrans-71.2-12.8178.900000114.9P185P185-G187 PolarHBondContact O-N 3.31Å; P185-G187 VanDerWaalsContact O-N 3.12Å
188E86.2Confident81.6Confident107 Ų10784.7 Ų84.750%0.549%0.485SS..G310 helixtrans-97-1.5175-67.8170.4-144.500112.3I184 P185 K186 P210 F211I184-E188 HydrophobicContact CG2-CB 3.75Å; P185-E188 WeakPolarHBondContact CD-OE1 3.34Å; P185-E188 WeakPolarHBondContact CG-OE1 3.43Å; P185-E188 PolarHBondContact O-N 3.5Å; K186-E188 PolarHBondContact O-N 2.79Å; E188-P210 CarbonylContact O-C 3.51Å; E188-P210 VanDerWaalsContact O-CA 3.29Å; E188-P210 WeakPolarHBondContact O-CA 3.45Å; E188-F211 PolarHBondContact O-N 2.88Å
189L87.9Confident82.3Confident27 Ų2783.3 Ų83.314%0.14148%0.48CS..EExtended strand (participates in β ladder)trans-100.5123178.4-90.151.2000109.4T181 I184 K186 T202 A208T181-L189 HydrophobicContact CG2-CD2 3.64Å; T181-L189 HydrophobicContact CG2-CG 4.39Å; I184-L189 HydrophobicContact CB-CD1 3.85Å; I184-L189 HydrophobicContact CG2-CD1 3.36Å; K186-L189 PolarHBondContact O-N 2.92Å; L189-T202 HydrophobicContact CD2-CG2 4.5Å; L189-A208 HydrophobicContact CB-CB 3.94Å; L189-A208 HydrophobicContact CD2-CB 4.23Å; L189-A208 HydrophobicContact CG-CB 4.01Å
190M84.7Confident82.6Confident88 Ų8878.9 Ų78.943%0.43346%0.461SS..EExtended strand (participates in β ladder)trans-97.8130.2166.4-170.1178.2-170.700109.4A208 V209 K214M190-A208 CarbonylContact O-C 3.56Å; M190-A208 VanDerWaalsContact O-CA 3.23Å; M190-A208 WeakPolarHBondContact O-CA 3.47Å; M190-A208 WeakPolarHBondContact O-CB 3.04Å; M190-V209 PolarHBondContact N-O 3.29Å; M190-V209 PolarHBondContact O-N 2.96Å; M190-K214 HydrophobicContact CB-CD 4.46Å; M190-K214 HydrophobicContact CG-CD 4.37Å; M190-K214 HydrophobicContact SD-CD 3.49Å; M190-K214 WeakPolarHBondContact SD-CD 3.29Å; M190-K214 PolarHBondContact SD-NZ 3.14Å
191E86.9Confident82.9Confident132 Ų13275.2 Ų75.262%0.61745%0.45SS*.EExtended strand (participates in β ladder)trans-66.2145.1176.3-58.1-167.6137.400111.3T206 Y207E191-T206 PolarHBondContact OE1-OG1 3.4Å; E191-Y207 WeakPolarHBondContact CA-O 3.46Å
192T83.2Confident83.1Confident23 Ų2374.5 Ų74.514%0.14145%0.446CS..  trans-151169.3-168.145.10000110.1D196 Y207 A208 V209 K214T192-D196 VanDerWaalsContact CB-OD2 3.27Å; T192-D196 WeakPolarHBondContact CB-OD2 3.48Å; T192-D196 WeakPolarHBondContact CG2-OD2 3.09Å; T192-Y207 PolarHBondContact N-O 3.41Å; T192-Y207 WeakPolarHBondContact O-CB 3.41Å; T192-Y207 PolarHBondContact OG1-O 2.86Å; T192-A208 WeakPolarHBondContact OG1-CA 3.33Å; T192-V209 HydrophobicContact CG2-CB 3.97Å; T192-V209 HydrophobicContact CG2-CG2 3.77Å; T192-V209 PolarHBondContact OG1-N 3.28Å; T192-K214 HydrophobicContact CG2-CD 4.32Å
193T86.4Confident83.3Confident82 Ų8274.2 Ų74.250%0.50346%0.455SS..  trans-82.2178173.266.20000111.5D195T193-D195 WeakPolarHBondContact CB-OD2 3.17Å; T193-D195 PolarHBondContact O-N 3.19Å; T193-D195 PolarHBondContact OG1-OD2 3.13Å
194A82.4Confident83.2Confident60 Ų6073.6 Ų73.650%0.49644%0.441SS..THydrogen-bonded Turntrans-74.2-14177.600000113.3Y207A194-Y207 HydrophobicContact CB-CD1 4.35Å; A194-Y207 HydrophobicContact CB-CD2 4.15Å; A194-Y207 HydrophobicContact CB-CE1 4.02Å; A194-Y207 HydrophobicContact CB-CE2 3.82Å; A194-Y207 HydrophobicContact CB-CG 4.41Å
195D80.5Confident83.1Confident134 Ų13473.1 Ų73.172%0.71745%0.451SS*.THydrogen-bonded Turntrans-81-22.2-173.2-38.8-82.9000112.8T193 P197T193-D195 WeakPolarHBondContact CB-OD2 3.17Å; T193-D195 PolarHBondContact O-N 3.19Å; T193-D195 PolarHBondContact OG1-OD2 3.13Å; D195-P197 WeakPolarHBondContact O-CD 3.36Å
196D77.7Confident83.1Confident48 Ų4872.3 Ų72.326%0.25745%0.445SS..  trans-64.3118.9179.1-96.7-43.5000110.4T192 Q198 A199 V209T192-D196 VanDerWaalsContact CB-OD2 3.27Å; T192-D196 WeakPolarHBondContact CB-OD2 3.48Å; T192-D196 WeakPolarHBondContact CG2-OD2 3.09Å; D196-Q198 PolarHBondContact O-N 2.95Å; D196-A199 HydrophobicContact CB-CB 4.11Å; D196-A199 WeakPolarHBondContact O-CB 3.46Å; D196-A199 PolarHBondContact O-N 2.67Å; D196-V209 HydrophobicContact CB-CG2 4.19Å
197P78.2Confident83.4Confident116 Ų11667.9 Ų67.975%0.75342%0.424SS*.THydrogen-bonded Turntrans-69.5-2.2-17227.7-36.3000114.6D195D195-P197 WeakPolarHBondContact O-CD 3.36Å
198Q80.1Confident83.6Confident77 Ų7764 Ų6436%0.3638%0.384SS..THydrogen-bonded Turntrans-115.27175-16570.4-3800112D196 V209 H213D196-Q198 PolarHBondContact O-N 2.95Å; Q198-V209 HydrophobicContact CG-CG1 4.47Å; Q198-H213 HydrophobicContact CG-CB 4Å; Q198-H213 PolarHBondContact NE2-CE1 3.12Å; Q198-H213 PolarHBondContact NE2-ND1 2.8Å; Q198-H213 PolarHBondContact NE2-NE2 3.35Å
199A84.9Confident83.6Confident12 Ų1259.2 Ų59.210%0.09936%0.362CS..  trans-59.8139.3-18000000112.3D196 Y207 V209D196-A199 HydrophobicContact CB-CB 4.11Å; D196-A199 WeakPolarHBondContact O-CB 3.46Å; D196-A199 PolarHBondContact O-N 2.67Å; A199-Y207 HydrophobicContact CB-CD1 4.26Å; A199-V209 HydrophobicContact CB-CG2 4.41Å
200M82.9Confident83.6Confident28 Ų2858.5 Ų58.514%0.13836%0.359CS..EExtended strand (participates in β ladder)trans-123.2138.8178.9-55.9-174.271.500109.8K179 R180 T181 T202 Y207 A208 P210K179-M200 HydrophobicContact CB-CE 3.96Å; K179-M200 HydrophobicContact CB-CG 4.46Å; K179-M200 CarbonylContact O-C 3.42Å; K179-M200 WeakPolarHBondContact O-CA 3.4Å; K179-M200 WeakPolarHBondContact O-CB 3.18Å; R180-M200 VanDerWaalsContact O-CE 3.28Å; R180-M200 WeakPolarHBondContact O-CE 3.23Å; T181-M200 HydrophobicContact CG2-CB 3.58Å; M200-T202 PolarHBondContact O-N 2.85Å; M200-Y207 WeakPolarHBondContact O-CA 3.18Å; M200-A208 WeakPolarHBondContact CA-O 3.25Å; M200-A208 WeakPolarHBondContact CB-O 3.34Å; M200-A208 PolarHBondContact N-O 3.4Å; M200-A208 PolarHBondContact O-N 2.85Å; M200-P210 HydrophobicContact SD-CG 4.18Å
201L85Confident83.7Confident36 Ų3660 Ų6019%0.18836%0.363CS..EExtended strand (participates in β ladder)trans-76.2115174.3-87.6159.9000110I178 K179 R180 T181 G205 Y207I178-L201 HydrophobicContact CB-CD1 4.09Å; I178-L201 HydrophobicContact CD1-CD1 4.28Å; I178-L201 HydrophobicContact CG2-CB 4.17Å; I178-L201 HydrophobicContact CG2-CD1 3.66Å; I178-L201 HydrophobicContact CG2-CG 3.68Å; K179-L201 PolarHBondContact O-N 3.25Å; R180-L201 WeakPolarHBondContact CA-O 3.46Å; T181-L201 PolarHBondContact N-O 3.11Å; T181-L201 PolarHBondContact OG1-O 3.27Å; L201-G205 WeakPolarHBondContact CD2-O 3.09Å; L201-Y207 HydrophobicContact CD2-CD1 4.41Å; L201-Y207 HydrophobicContact CD2-CE1 4.15Å; L201-Y207 HydrophobicContact CG-CD1 4.39Å; L201-Y207 HydrophobicContact CG-CE1 4.15Å
202T83.4Confident83.5Confident18 Ų1859.9 Ų59.911%0.1137%0.366CS..  trans-69.8156170.5-52.90000110T181 L189 M200 A204 G205 T206T181-T202 WeakPolarHBondContact OG1-CA 3.46Å; L189-T202 HydrophobicContact CD2-CG2 4.5Å; M200-T202 PolarHBondContact O-N 2.85Å; T202-A204 PolarHBondContact O-N 2.77Å; T202-G205 PolarHBondContact O-N 2.96Å; T202-T206 VanDerWaalsContact CB-O 3.28Å; T202-T206 WeakPolarHBondContact CB-O 3.32Å; T202-T206 PolarHBondContact N-O 3.1Å; T202-T206 PolarHBondContact OG1-O 3.38Å; T202-T206 VanDerWaalsContact OG1-O 3.14Å
203A82.3Confident83.5Confident106 Ų10662.8 Ų62.888%0.87638%0.378SS*.THydrogen-bonded Turntrans-59.2-12.7175.400000114.7
204A80.1Confident83.4Confident75 Ų7561.6 Ų61.662%0.6237%0.366SS*.THydrogen-bonded Turntrans-91.60.8173.800000114T202 T206T202-A204 PolarHBondContact O-N 2.77Å; A204-T206 VanDerWaalsContact C-N 3.29Å; A204-T206 PolarHBondContact O-N 2.9Å
205G80Confident83.4Confident48 Ų4862.8 Ų62.850%0.49536%0.361SS..SBendtrans84.6-10-17500000115L201 T202L201-G205 WeakPolarHBondContact CD2-O 3.09Å; T202-G205 PolarHBondContact O-N 2.96Å
206T85.2Confident83.2Confident52 Ų5258.7 Ų58.732%0.31935%0.346SS..  trans-73.4145.1175.155.90000112.3E191 T202 A204E191-T206 PolarHBondContact OE1-OG1 3.4Å; T202-T206 VanDerWaalsContact CB-O 3.28Å; T202-T206 WeakPolarHBondContact CB-O 3.32Å; T202-T206 PolarHBondContact N-O 3.1Å; T202-T206 PolarHBondContact OG1-O 3.38Å; T202-T206 VanDerWaalsContact OG1-O 3.14Å; A204-T206 VanDerWaalsContact C-N 3.29Å; A204-T206 PolarHBondContact O-N 2.9Å
207Y88.7Confident83.1Confident75 Ų7562.7 Ų62.729%0.29436%0.361SS..EExtended strand (participates in β ladder)trans-81.9132.1172.4-64.1-87000109.9I178 E191 T192 A194 A199 M200 L201I178-Y207 HydrophobicContact CD1-CE1 3.87Å; I178-Y207 HydrophobicContact CG1-CE1 4.31Å; I178-Y207 HydrophobicContact CG2-CD1 4.49Å; I178-Y207 HydrophobicContact CG2-CE1 4.26Å; E191-Y207 WeakPolarHBondContact CA-O 3.46Å; T192-Y207 PolarHBondContact N-O 3.41Å; T192-Y207 WeakPolarHBondContact O-CB 3.41Å; T192-Y207 PolarHBondContact OG1-O 2.86Å; A194-Y207 HydrophobicContact CB-CD1 4.35Å; A194-Y207 HydrophobicContact CB-CD2 4.15Å; A194-Y207 HydrophobicContact CB-CE1 4.02Å; A194-Y207 HydrophobicContact CB-CE2 3.82Å; A194-Y207 HydrophobicContact CB-CG 4.41Å; A199-Y207 HydrophobicContact CB-CD1 4.26Å; M200-Y207 WeakPolarHBondContact O-CA 3.18Å; L201-Y207 HydrophobicContact CD2-CD1 4.41Å; L201-Y207 HydrophobicContact CD2-CE1 4.15Å; L201-Y207 HydrophobicContact CG-CD1 4.39Å; L201-Y207 HydrophobicContact CG-CE1 4.15Å
208A88.1Confident83.1Confident1 Ų163.9 Ų63.91%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-144.3147.9177.200000112.3L189 M190 T192 M200L189-A208 HydrophobicContact CB-CB 3.94Å; L189-A208 HydrophobicContact CD2-CB 4.23Å; L189-A208 HydrophobicContact CG-CB 4.01Å; M190-A208 CarbonylContact O-C 3.56Å; M190-A208 VanDerWaalsContact O-CA 3.23Å; M190-A208 WeakPolarHBondContact O-CA 3.47Å; M190-A208 WeakPolarHBondContact O-CB 3.04Å; T192-A208 WeakPolarHBondContact OG1-CA 3.33Å; M200-A208 WeakPolarHBondContact CA-O 3.25Å; M200-A208 WeakPolarHBondContact CB-O 3.34Å; M200-A208 PolarHBondContact N-O 3.4Å; M200-A208 PolarHBondContact O-N 2.85Å
209V86.7Confident82.7Confident5 Ų567 Ų673%0.0338%0.377CS..EExtended strand (participates in β ladder)trans-114134.4174.1174.40000108.7M190 T192 D196 Q198 A199 F211 H213 K214M190-V209 PolarHBondContact N-O 3.29Å; M190-V209 PolarHBondContact O-N 2.96Å; T192-V209 HydrophobicContact CG2-CB 3.97Å; T192-V209 HydrophobicContact CG2-CG2 3.77Å; T192-V209 PolarHBondContact OG1-N 3.28Å; D196-V209 HydrophobicContact CB-CG2 4.19Å; Q198-V209 HydrophobicContact CG-CG1 4.47Å; A199-V209 HydrophobicContact CB-CG2 4.41Å; V209-F211 PolarHBondContact O-N 2.94Å; V209-H213 HydrophobicContact CG1-CB 3.63Å; V209-K214 HydrophobicContact CG1-CB 4.1Å
210P88.2Confident81.8Confident13 Ų1368.7 Ų68.78%0.08440%0.395CS..EExtended strand (participates in β ladder)trans-56.5137.7173.1-26.535.3000111.9I184 E188 M200 L212 H213 K214I184-P210 HydrophobicContact CD1-CG 3.88Å; E188-P210 CarbonylContact O-C 3.51Å; E188-P210 VanDerWaalsContact O-CA 3.29Å; E188-P210 WeakPolarHBondContact O-CA 3.45Å; M200-P210 HydrophobicContact SD-CG 4.18Å; P210-L212 VanDerWaalsContact C-N 3.31Å; P210-L212 PolarHBondContact O-N 3.17Å; P210-H213 WeakPolarHBondContact O-CA 3.44Å; P210-H213 WeakPolarHBondContact O-CB 3.31Å; P210-H213 PolarHBondContact O-N 3.25Å; P210-K214 PolarHBondContact O-N 2.84Å
211F86.2Confident80.6Confident118 Ų11876.3 Ų76.352%0.51843%0.428SS..Hα-helixtrans-51-47.1-172.2-174.1-88.8000112.8E188 V209 H213 K214 Q215E188-F211 PolarHBondContact O-N 2.88Å; V209-F211 PolarHBondContact O-N 2.94Å; F211-H213 VanDerWaalsContact C-N 3.29Å; F211-H213 PolarHBondContact O-N 3.25Å; F211-K214 PolarHBondContact O-N 3.44Å; F211-K214 VanDerWaalsContact O-N 3.16Å; F211-Q215 WeakPolarHBondContact O-CB 3.35Å; F211-Q215 PolarHBondContact O-N 3.44Å
212L83.9Confident78.9Confident130 Ų13078.4 Ų78.468%0.68145%0.45SS*.Hα-helixtrans-59.8-33.4176.3-88.171.6000113.4P210 A216P210-L212 VanDerWaalsContact C-N 3.31Å; P210-L212 PolarHBondContact O-N 3.17Å; L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 2.83Å
213H83.3Confident77.4Confident85 Ų8584.4 Ų84.439%0.39448%0.482SS..Hα-helixtrans-71.5-39.2176.3-76.9152.9000111.9Q198 V209 P210 F211 A216 F217Q198-H213 HydrophobicContact CG-CB 4Å; Q198-H213 PolarHBondContact NE2-CE1 3.12Å; Q198-H213 PolarHBondContact NE2-ND1 2.8Å; Q198-H213 PolarHBondContact NE2-NE2 3.35Å; V209-H213 HydrophobicContact CG1-CB 3.63Å; P210-H213 WeakPolarHBondContact O-CA 3.44Å; P210-H213 WeakPolarHBondContact O-CB 3.31Å; P210-H213 PolarHBondContact O-N 3.25Å; F211-H213 VanDerWaalsContact C-N 3.29Å; F211-H213 PolarHBondContact O-N 3.25Å; H213-A216 PolarHBondContact O-N 3.37Å; H213-F217 PolarHBondContact O-N 3.11Å
214K82.8Confident76Confident56 Ų5686.7 Ų86.724%0.24347%0.472CS..Hα-helixtrans-69.2-41.9176.3-157.9175.2-171171.30110.8M190 T192 V209 P210 F211 F217 L218M190-K214 HydrophobicContact CB-CD 4.46Å; M190-K214 HydrophobicContact CG-CD 4.37Å; M190-K214 HydrophobicContact SD-CD 3.49Å; M190-K214 WeakPolarHBondContact SD-CD 3.29Å; M190-K214 PolarHBondContact SD-NZ 3.14Å; T192-K214 HydrophobicContact CG2-CD 4.32Å; V209-K214 HydrophobicContact CG1-CB 4.1Å; P210-K214 PolarHBondContact O-N 2.84Å; F211-K214 PolarHBondContact O-N 3.44Å; F211-K214 VanDerWaalsContact O-N 3.16Å; K214-F217 PolarHBondContact O-N 3.26Å; K214-L218 WeakPolarHBondContact O-CG 3.47Å; K214-L218 PolarHBondContact O-N 3.32Å
215Q82.6Confident74.6Confident85 Ų8592.8 Ų92.840%0.39748%0.479SS..Hα-helixtrans-60.1-44.9172.4-168.8179.124.500112F211 F217 L218 M219F211-Q215 WeakPolarHBondContact O-CB 3.35Å; F211-Q215 PolarHBondContact O-N 3.44Å; Q215-F217 VanDerWaalsContact C-N 3.28Å; Q215-F217 PolarHBondContact O-N 2.98Å; Q215-L218 PolarHBondContact O-N 3.12Å; Q215-M219 HydrophobicContact CG-SD 4.16Å; Q215-M219 WeakPolarHBondContact O-CB 3.27Å; Q215-M219 WeakPolarHBondContact O-CG 3.16Å; Q215-M219 PolarHBondContact O-N 3.49Å
216A77.2Confident73.2Confident48 Ų4899.1 Ų99.140%0.39749%0.493SS..Hα-helixtrans-69.9-20.5177.100000114.1L212 H213L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 2.83Å; H213-A216 PolarHBondContact O-N 3.37Å
217F75.8Confident71.8Confident132 Ų13299.2 Ų99.258%0.57950%0.504SS*.Hα-helixtrans-76.2-48.2169-172.9-96.9000110.6H213 K214 Q215 M219 G220H213-F217 PolarHBondContact O-N 3.11Å; K214-F217 PolarHBondContact O-N 3.26Å; Q215-F217 VanDerWaalsContact C-N 3.28Å; Q215-F217 PolarHBondContact O-N 2.98Å; F217-M219 VanDerWaalsContact C-N 3.33Å; F217-M219 PolarHBondContact O-N 2.84Å; F217-G220 PolarHBondContact O-N 3.38Å; F217-G220 VanDerWaalsContact O-N 3.1Å
218L78.5Confident70.3Confident141 Ų141101.3 Ų101.374%0.73852%0.521SS*.Hα-helixtrans-62.6-34.2177.3-68.9169000113.4K214 Q215 G220K214-L218 WeakPolarHBondContact O-CG 3.47Å; K214-L218 PolarHBondContact O-N 3.32Å; Q215-L218 PolarHBondContact O-N 3.12Å; L218-G220 PolarHBondContact O-N 3.24Å
219M70.7Confident68.8Low144 Ų144109.4 Ų109.471%0.70955%0.552SS**THydrogen-bonded Turntrans-73.3-10.2175.6-77.8-178.6152.300114.1Q215 F217Q215-M219 HydrophobicContact CG-SD 4.16Å; Q215-M219 WeakPolarHBondContact O-CB 3.27Å; Q215-M219 WeakPolarHBondContact O-CG 3.16Å; Q215-M219 PolarHBondContact O-N 3.49Å; F217-M219 VanDerWaalsContact C-N 3.33Å; F217-M219 PolarHBondContact O-N 2.84Å
220G66.6Low67.3Low47 Ų47121 Ų12149%0.48560%0.595SS.*  trans73.4131.2-176.900000113.4F217 L218 A222F217-G220 PolarHBondContact O-N 3.38Å; F217-G220 VanDerWaalsContact O-N 3.1Å; L218-G220 PolarHBondContact O-N 3.24Å; G220-A222 PolarHBondContact O-N 3.22Å
221K57.3Low65.9Low188 Ų188124.8 Ų124.882%0.81762%0.618SS**  trans-77.985.7172.5-70.8178.6-177.1169.60110.2D223K221-D223 PolarHBondContact O-N 2.9Å
222A49.3Very low64Low79 Ų79121.7 Ų121.765%0.65362%0.62SS**  trans-54.7120.1159.800000108.6G220 K224G220-A222 PolarHBondContact O-N 3.22Å; A222-K224 VanDerWaalsContact C-N 3.25Å; A222-K224 PolarHBondContact O-N 3.37Å
223D50.9Low62.5Low145 Ų145120.9 Ų120.978%0.77562%0.622SS**  trans-75.472.9-167.1-171.830.7000112.4K221 R225K221-D223 PolarHBondContact O-N 2.9Å; D223-R225 PolarHBondContact O-N 3.06Å
224K53Low61Low153 Ų153121 Ų12167%0.66563%0.629SS**  trans-69.791.5178.4-70.9-172.7177.7-1770109.6A222A222-K224 VanDerWaalsContact C-N 3.25Å; A222-K224 PolarHBondContact O-N 3.37Å
225R51.9Low59.1Low204 Ų204126 Ų12677%0.7765%0.65SS**  trans-45.6139.7173.3-64.8-178.6176.8-174.7-0.6110.5D223 G227D223-R225 PolarHBondContact O-N 3.06Å; R225-G227 PolarHBondContact O-N 3.08Å
226F51.2Low57.5Low180 Ų180127.3 Ų127.379%0.78967%0.666SS**THydrogen-bonded Turntrans-68.221.6-163.8-140.5-95.3000116.4Y229F226-Y229 AromaticContact CD1-CE2 3.93Å; F226-Y229 HydrophobicContact CD1-CE2 3.93Å; F226-Y229 HydrophobicContact CE1-CE2 4.2Å; F226-Y229 HydrophobicContact CG-CE2 4.12Å
227G55Low55.9Low55 Ų55129.6 Ų129.657%0.56769%0.686SS**THydrogen-bonded Turntrans-107.9-21.9-172.200000116.2R225 Y229R225-G227 PolarHBondContact O-N 3.08Å; G227-Y229 PolarHBondContact O-N 2.79Å
228D57.1Low54.5Low118 Ų118132 Ų13263%0.63170%0.698SS**  trans-9317.9-161.6-64.2-27.2000115.3R230 V231D228-R230 PolarHBondContact O-N 3.22Å; D228-V231 PolarHBondContact O-N 3.11Å
229Y56.7Low52.9Low171 Ų171133.6 Ų133.667%0.67170%0.702SS**THydrogen-bonded Turntrans-65.928.4175.8-60.1-76.4000115.3F226 G227F226-Y229 AromaticContact CD1-CE2 3.93Å; F226-Y229 HydrophobicContact CD1-CE2 3.93Å; F226-Y229 HydrophobicContact CE1-CE2 4.2Å; F226-Y229 HydrophobicContact CG-CE2 4.12Å; G227-Y229 PolarHBondContact O-N 2.79Å
230R55.4Low51.7Low248 Ų248135.8 Ų135.894%0.93671%0.708SS**THydrogen-bonded Turntrans-119.3-8.7163.6-76.4-166.9172.9-85.2-4113.6D228D228-R230 PolarHBondContact O-N 3.22Å
231V58.4Low50.7Low94 Ų94143.2 Ų143.257%0.5773%0.727SS**SBendtrans-85134.9156.3-162.20000106.3D228 V234D228-V231 PolarHBondContact O-N 3.11Å; V231-V234 HydrophobicContact CG1-CG2 3.47Å; V231-V234 VanDerWaalsContact CG1-CG2 3.47Å
232G47.4Very low50.2Low53 Ų53142.8 Ų142.855%0.54673%0.728SS.*  trans-61.6176.4168.900000111.2V234G232-V234 VanDerWaalsContact C-N 3.35Å; G232-V234 PolarHBondContact O-N 2.99Å
233P52.3Low50.5Low112 Ų112144.1 Ų144.173%0.72773%0.732SS**  trans-59.898.8174.326.1-33.7000110F235P233-F235 VanDerWaalsContact O-CD2 3.31Å; P233-F235 WeakPolarHBondContact O-CD2 3.37Å; P233-F235 PolarHBondContact O-N 3.09Å
234V49.9Very low51.4Low89 Ų89140.7 Ų140.754%0.53971%0.714SS.*  trans-66.592.7164.6-1760000106V231 G232V231-V234 HydrophobicContact CG1-CG2 3.47Å; V231-V234 VanDerWaalsContact CG1-CG2 3.47Å; G232-V234 VanDerWaalsContact C-N 3.35Å; G232-V234 PolarHBondContact O-N 2.99Å
235F43.5Very low52.7Low159 Ų159135.7 Ų135.770%0.69770%0.697SS**  trans-49.1145.9158-66.2-88.9000108.2P233 A237P233-F235 VanDerWaalsContact O-CD2 3.31Å; P233-F235 WeakPolarHBondContact O-CD2 3.37Å; P233-F235 PolarHBondContact O-N 3.09Å; F235-A237 PolarHBondContact O-N 2.7Å
236P48.6Very low54Low113 Ų113133.3 Ų133.373%0.73469%0.694SS**  trans-57.4102.5169.8-21.733.8000109E238P236-E238 PolarHBondContact O-N 2.74Å
237A43.5Very low55.5Low97 Ų97131.5 Ų131.580%0.80269%0.688SS**THydrogen-bonded Turntrans-7943.1-174.800000111.5F235F235-A237 PolarHBondContact O-N 2.7Å
238E47.2Very low57.2Low181 Ų181129.6 Ų129.685%0.84667%0.665SS**THydrogen-bonded Turntrans-120.611179.3-153.7151.6-128.900110.9P236 K240P236-E238 PolarHBondContact O-N 2.74Å; E238-K240 VanDerWaalsContact C-N 3.34Å; E238-K240 PolarHBondContact O-N 3.23Å
239Q44.2Very low58.8Low175 Ų175125.9 Ų125.982%0.81865%0.645SS**SBendtrans-51.7109.7135.7-71.8-176.9-25.100106.8K241Q239-K241 PolarHBondContact O-N 3.35Å; Q239-K241 VanDerWaalsContact O-N 3.11Å
240K47.2Very low60.6Low191 Ų191117.8 Ų117.883%0.8361%0.613SS**  trans-44124.9167.7-66.8176.1179.2176.90106.9E238 Q242E238-K240 VanDerWaalsContact C-N 3.34Å; E238-K240 PolarHBondContact O-N 3.23Å; K240-Q242 PolarHBondContact O-N 3.12Å
241K44Very low62.1Low203 Ų203109.8 Ų109.888%0.88360%0.595SS**  trans-51.8112159.5-81.1-172.1176.6-1760104.8Q239 S243Q239-K241 PolarHBondContact O-N 3.35Å; Q239-K241 VanDerWaalsContact O-N 3.11Å; K241-S243 VanDerWaalsContact C-N 3.25Å; K241-S243 PolarHBondContact O-N 2.95Å
242Q46.7Very low63.7Low179 Ų179108.1 Ų108.184%0.83658%0.583SS**  trans-63.1101.8169.7-72.6179.8-18.700104.2K240 L244K240-Q242 PolarHBondContact O-N 3.12Å; Q242-L244 PolarHBondContact O-N 3.25Å
243S57.3Low65.8Low107 Ų107107.7 Ų107.775%0.74857%0.571SS**  trans-55.6115.4179.946.90000106.2K241 P245K241-S243 VanDerWaalsContact C-N 3.25Å; K241-S243 PolarHBondContact O-N 2.95Å; S243-P245 VanDerWaalsContact O-N 3.17Å
244L69Low67.4Low73 Ų73108.6 Ų108.638%0.38257%0.569SS.*  trans-49.7127-178.7-57.8180000107.1Q242 H246 L249 F313 M317Q242-L244 PolarHBondContact O-N 3.25Å; L244-H246 PolarHBondContact O-N 2.72Å; L244-L249 HydrophobicContact CB-CD1 4.26Å; L244-L249 HydrophobicContact CB-CD2 3.95Å; L244-L249 HydrophobicContact CB-CG 4.37Å; L244-L249 HydrophobicContact CD1-CD2 4.09Å; L244-F313 HydrophobicContact CD2-CE1 3.87Å; L244-F313 HydrophobicContact CD2-CZ 3.79Å; L244-M317 HydrophobicContact CD2-CE 4.41Å; L244-M317 HydrophobicContact CD2-SD 4.17Å
245P79.7Confident69.2Low47 Ų47108.8 Ų108.831%0.30557%0.567SS.*  trans-57122.2-172.522.4-33.1000108.2S243 E247 L248 F313S243-P245 VanDerWaalsContact O-N 3.17Å; P245-E247 PolarHBondContact O-N 3.38Å; P245-E247 VanDerWaalsContact O-N 3.13Å; P245-L248 HydrophobicContact CG-CB 4.33Å; P245-L248 HydrophobicContact CG-CD1 3.78Å; P245-L248 HydrophobicContact CG-CG 3.93Å; P245-L248 PolarHBondContact O-N 2.77Å; P245-F313 HydrophobicContact CG-CD2 4.49Å; P245-F313 HydrophobicContact CG-CE2 4.16Å
246H79.1Confident71.5Confident154 Ų154102.7 Ų102.771%0.71354%0.542SS*.G310 helixtrans-61.3-26.6-17149.6-92000111.9L244 L248 L249L244-H246 PolarHBondContact O-N 2.72Å; H246-L248 PolarHBondContact O-N 3.21Å; H246-L249 PolarHBondContact O-N 3Å; H246-L249 VanDerWaalsContact O-N 3.08Å
247E83.9Confident73.7Confident142 Ų14297.4 Ų97.466%0.66451%0.508SS*.G310 helixtrans-56.3-21.7169.1-59.1172.2-166.100114.7P245P245-E247 PolarHBondContact O-N 3.38Å; P245-E247 VanDerWaalsContact O-N 3.13Å
248L89.7Confident75.9Confident16 Ų16100.2 Ų100.28%0.08450%0.497CS..G310 helixtrans-105.21.4177.5-56.4-172.6000113.3P245 H246 L256 L257 L306 A309 V310 F313P245-L248 HydrophobicContact CG-CB 4.33Å; P245-L248 HydrophobicContact CG-CD1 3.78Å; P245-L248 HydrophobicContact CG-CG 3.93Å; P245-L248 PolarHBondContact O-N 2.77Å; H246-L248 PolarHBondContact O-N 3.21Å; L248-L256 HydrophobicContact CB-CD1 3.69Å; L248-L256 HydrophobicContact CD1-CD1 4.45Å; L248-L256 WeakPolarHBondContact O-CA 3.38Å; L248-L257 WeakPolarHBondContact O-CG 3.45Å; L248-L257 PolarHBondContact O-N 2.88Å; L248-L306 HydrophobicContact CD2-CD2 4.11Å; L248-A309 HydrophobicContact CD2-CB 3.84Å; L248-V310 HydrophobicContact CB-CG2 4.26Å; L248-V310 HydrophobicContact CD2-CG2 4.28Å; L248-F313 HydrophobicContact CD1-CB 3.79Å; L248-F313 HydrophobicContact CD1-CD1 4.4Å; L248-F313 HydrophobicContact CD1-CD2 4.14Å; L248-F313 HydrophobicContact CD1-CG 3.85Å
249L91.5Very high78.1Confident40 Ų4096.2 Ų96.221%0.20948%0.482CS..BIsolated β-bridgetrans-99148.8179.7-59.8-178.5000111.5L244 H246 N255L244-L249 HydrophobicContact CB-CD1 4.26Å; L244-L249 HydrophobicContact CB-CD2 3.95Å; L244-L249 HydrophobicContact CB-CG 4.37Å; L244-L249 HydrophobicContact CD1-CD2 4.09Å; H246-L249 PolarHBondContact O-N 3Å; H246-L249 VanDerWaalsContact O-N 3.08Å; L249-N255 WeakPolarHBondContact CA-O 3.43Å
250C93.6Very high80.4Confident0 Ų087.9 Ų87.90%044%0.443CS..  trans-87.9119.9171.9-176.80000110.2L252 C253 D254 N255 L257 C271C250-L252 PolarHBondContact O-N 2.89Å; C250-C253 PolarHBondContact O-N 2.89Å; C250-C253 VanDerWaalsContact O-N 3.12Å; C250-D254 WeakPolarHBondContact O-CA 3.32Å; C250-D254 PolarHBondContact O-N 3.29Å; C250-N255 PolarHBondContact N-O 2.83Å; C250-L257 HydrophobicContact CB-CD2 3.72Å; C250-L257 HydrophobicContact CB-CG 4.38Å; C250-C271 WeakPolarHBondContact CB-SG 3.23Å; C250-C271 PolarHBondContact SG-N 3.47Å
251S88.3Confident82.6Confident81 Ų8178.9 Ų78.957%0.56640%0.404SS*.THydrogen-bonded Turntrans-69.90.9179.447.40000115.3Y270S251-Y270 WeakPolarHBondContact OG-CE1 3.44Å
252L90.6Very high85Confident59 Ų5971.3 Ų71.331%0.30937%0.373SS..THydrogen-bonded Turntrans-98-15.4171.2-68.4172.3000113.7C250 Y270 C274 I275 C278 P288C250-L252 PolarHBondContact O-N 2.89Å; L252-Y270 HydrophobicContact CB-CD1 4.45Å; L252-Y270 HydrophobicContact CD1-CD1 3.5Å; L252-Y270 VanDerWaalsContact CD1-CD1 3.5Å; L252-Y270 HydrophobicContact CD1-CE1 4.01Å; L252-Y270 HydrophobicContact CD1-CG 4.22Å; L252-Y270 HydrophobicContact CG-CD1 3.61Å; L252-Y270 HydrophobicContact CG-CE1 3.81Å; L252-C274 HydrophobicContact CB-CB 3.98Å; L252-C274 HydrophobicContact CD1-CB 3.93Å; L252-I275 HydrophobicContact CD1-CB 4.27Å; L252-I275 HydrophobicContact CD1-CD1 4.29Å; L252-C278 HydrophobicContact CD1-CB 4.41Å; L252-P288 HydrophobicContact CD1-CG 4.32Å; L252-P288 HydrophobicContact CD2-CB 3.96Å; L252-P288 HydrophobicContact CD2-CG 3.99Å; L252-P288 HydrophobicContact CG-CG 4.46Å
253C91.4Very high87.2Confident44 Ų4462.8 Ų62.830%0.29733%0.333SS..THydrogen-bonded Turntrans-147.46.6-175.466.50000115.1C250 N255C250-C253 PolarHBondContact O-N 2.89Å; C250-C253 VanDerWaalsContact O-N 3.12Å; C253-N255 PolarHBondContact O-N 3.16Å; C253-N255 PolarHBondContact O-ND2 3.2Å
254D87.5Confident88.7Confident130 Ų13060.9 Ų60.970%0.69532%0.318SS*.SBendtrans51.814.6-179.8-63.9-32000115.8C250C250-D254 WeakPolarHBondContact O-CA 3.32Å; C250-D254 PolarHBondContact O-N 3.29Å
255N87.9Confident89.7Confident93 Ų9359.5 Ų59.550%0.49731%0.314SS..SBendtrans-102.3158-179.9-82.3-87.4000111.2L249 C250 C253 L257L249-N255 WeakPolarHBondContact CA-O 3.43Å; C250-N255 PolarHBondContact N-O 2.83Å; C253-N255 PolarHBondContact O-N 3.16Å; C253-N255 PolarHBondContact O-ND2 3.2Å; N255-L257 PolarHBondContact O-N 2.92Å
256L91.5Very high90.2Very high31 Ų3159.2 Ų59.216%0.16231%0.313CS..BIsolated β-bridgetrans-58.5126.9176.1-165.174.8000110.6L248 R258 V310 F313 Q314L248-L256 HydrophobicContact CB-CD1 3.69Å; L248-L256 HydrophobicContact CD1-CD1 4.45Å; L248-L256 WeakPolarHBondContact O-CA 3.38Å; L256-R258 PolarHBondContact O-N 3.35Å; L256-V310 HydrophobicContact CD1-CG2 4.39Å; L256-V310 HydrophobicContact CD2-CG1 3.86Å; L256-V310 HydrophobicContact CG-CG1 3.89Å; L256-V310 HydrophobicContact CG-CG2 4.23Å; L256-F313 HydrophobicContact CD1-CD1 3.87Å; L256-F313 HydrophobicContact CD1-CE1 4.2Å; L256-F313 HydrophobicContact CD2-CD1 4.1Å; L256-Q314 HydrophobicContact CD2-CG 3.53Å
257L93.3Very high90.7Very high2 Ų254.1 Ų54.11%0.0130%0.302CS..  trans-52.5107-169.1-77.3161.4000113.2L248 C250 N255 A260 L306 V310L248-L257 WeakPolarHBondContact O-CG 3.45Å; L248-L257 PolarHBondContact O-N 2.88Å; C250-L257 HydrophobicContact CB-CD2 3.72Å; C250-L257 HydrophobicContact CB-CG 4.38Å; N255-L257 PolarHBondContact O-N 2.92Å; L257-A260 HydrophobicContact CB-CB 4.1Å; L257-A260 HydrophobicContact CD1-CB 4.35Å; L257-L306 HydrophobicContact CD1-CD1 4.05Å; L257-V310 HydrophobicContact CB-CG2 4.01Å
258R91.1Very high91Very high156 Ų15652.5 Ų52.559%0.58929%0.291SS*.THydrogen-bonded Turntrans-82.7119.8171.2-61.8-175.8-174.4175.72.5109.3L256 A260 C271L256-R258 PolarHBondContact O-N 3.35Å; R258-A260 PolarHBondContact O-N 2.83Å; R258-C271 HydrophobicContact CB-CB 4.46Å; R258-C271 PolarHBondContact N-SG 3.08Å; R258-C271 WeakPolarHBondContact O-CA 3.29Å; R258-C271 WeakPolarHBondContact O-CB 3.39Å
259D92.4Very high91.2Very high98 Ų9853 Ų5352%0.52430%0.296SS..THydrogen-bonded Turntrans45.456.7-178-79.2-67.2000113.7S261 R307D259-S261 PolarHBondContact O-N 2.92Å; D259-R307 VanDerWaalsContact C-CZ 3.41Å; D259-R307 VanDerWaalsContact O-CZ 3.31Å; D259-R307 PolarHBondContact O-NE 3.16Å; D259-R307 PolarHBondContact O-NH2 3.22Å; D259-R307 IonicContact OD1-CZ 2.77Å; D259-R307 IonicContact OD1-NE 3.81Å; D259-R307 IonicContact OD1-NH1 3.74Å; D259-R307 PolarHBondContact OD1-NH1 3.44Å
260A93.6Very high91.3Very high0 Ų051.3 Ų51.30%029%0.286CS..EExtended strand (participates in β ladder)trans-40126.5-179.100000113.2L257 R258 Y270 N303 L306 R307L257-A260 HydrophobicContact CB-CB 4.1Å; L257-A260 HydrophobicContact CD1-CB 4.35Å; R258-A260 PolarHBondContact O-N 2.83Å; A260-Y270 CarbonylContact C-O 3.53Å; A260-Y270 WeakPolarHBondContact CA-O 3.39Å; A260-N303 HydrophobicContact CB-CB 4.15Å; A260-N303 PolarHBondContact O-N 3.38Å; A260-L306 HydrophobicContact CB-CB 3.76Å; A260-R307 HydrophobicContact CB-CG 4.03Å; A260-R307 PolarHBondContact O-NE 2.85Å; A260-R307 PolarHBondContact O-NH2 3.31Å
261S93.6Very high91.4Very high1 Ų151.4 Ų51.41%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-130.6138.7-177.859.20000109.6D259 S269 Y270 D272 I275D259-S261 PolarHBondContact O-N 2.92Å; S261-S269 CarbonylContact O-C 3.58Å; S261-S269 VanDerWaalsContact O-CA 3.28Å; S261-S269 WeakPolarHBondContact O-CA 3.38Å; S261-Y270 PolarHBondContact N-O 3.49Å; S261-Y270 PolarHBondContact O-N 3.21Å; S261-Y270 PolarHBondContact OG-O 3.06Å; S261-D272 WeakPolarHBondContact OG-CA 3.3Å; S261-I275 WeakPolarHBondContact OG-CG2 3.37Å
262L93.6Very high91.6Very high44 Ų4449.2 Ų49.223%0.2327%0.269CS..EExtended strand (participates in β ladder)trans-91.3138.3175.9-59.8-179.8000110.1G267 Y268 I301 N303L262-G267 WeakPolarHBondContact CD2-O 3.44Å; L262-Y268 WeakPolarHBondContact CA-O 3.45Å; L262-I301 HydrophobicContact CB-CB 4.3Å; L262-I301 PolarHBondContact N-O 3.25Å; L262-I301 PolarHBondContact O-N 3.31Å; L262-N303 HydrophobicContact CD2-CB 4.15Å; L262-N303 WeakPolarHBondContact CD2-ND2 3.37Å; L262-N303 HydrophobicContact CG-CB 4.04Å
263I91.9Very high91.8Very high0 Ų052.5 Ų52.50%028%0.283CS..  trans-79.7131164.7-43.5-174.6000109C265 G267 Y268 Y270 I275 C287 P288 I295 L300I263-C265 VanDerWaalsContact C-N 3.29Å; I263-C265 WeakPolarHBondContact CG2-SG 3.43Å; I263-C265 PolarHBondContact O-N 2.98Å; I263-G267 WeakPolarHBondContact O-CA 3.42Å; I263-G267 PolarHBondContact O-N 3.32Å; I263-Y268 PolarHBondContact N-O 3.3Å; I263-Y268 VanDerWaalsContact N-O 3.11Å; I263-Y270 HydrophobicContact CD1-CD2 3.67Å; I263-Y270 HydrophobicContact CD1-CE2 3.28Å; I263-Y270 HydrophobicContact CG1-CD2 3.68Å; I263-Y270 HydrophobicContact CG1-CE2 3.67Å; I263-I275 HydrophobicContact CD1-CD1 3.48Å; I263-I275 VanDerWaalsContact CD1-CD1 3.48Å; I263-I275 HydrophobicContact CD1-CG1 3.81Å; I263-I275 HydrophobicContact CG1-CD1 4.21Å; I263-I275 HydrophobicContact CG1-CG1 3.95Å; I263-C287 HydrophobicContact CD1-CB 4.05Å; I263-C287 HydrophobicContact CG2-CB 4.34Å; I263-P288 HydrophobicContact CD1-CG 4.49Å; I263-I295 HydrophobicContact CG2-CD1 3.9Å; I263-I295 HydrophobicContact CG2-CG1 4.47Å; I263-I295 HydrophobicContact CG2-CG2 3.83Å; I263-L300 HydrophobicContact CG1-CD2 4.49Å
264P90.6Very high91.9Very high67 Ų6751.7 Ų51.744%0.43528%0.277SS..THydrogen-bonded Turntrans-63.4-24.5-174.122.3-34.9000115.6I295 A299P264-I295 HydrophobicContact CG-CG2 4.21Å; P264-A299 HydrophobicContact CG-CB 4.29Å
265C89.5Confident92.2Very high45 Ų4545.5 Ų45.530%0.30424%0.244SC..THydrogen-bonded Turntrans-73-59.1179.746.40000113.6I263 C287 C290 E292 I295I263-C265 VanDerWaalsContact C-N 3.29Å; I263-C265 WeakPolarHBondContact CG2-SG 3.43Å; I263-C265 PolarHBondContact O-N 2.98Å; C265-C287 VanDerWaalsContact SG-SG 3.65Å; C265-C290 PolarHBondContact SG-SG 3.03Å; C265-E292 WeakPolarHBondContact CB-OE2 3.4Å; C265-I295 VanDerWaalsContact SG-CD1 3.5Å
266C89.5Confident92.4Very high40 Ų4046.3 Ų46.327%0.2724%0.24SC..THydrogen-bonded Turntrans-105.6-9.2-170.161.60000114.6Y268 C290C266-Y268 HydrophobicContact CB-CD2 3.84Å; C266-Y268 HydrophobicContact CB-CE2 4.46Å; C266-Y268 WeakPolarHBondContact O-CD2 3.33Å; C266-Y268 PolarHBondContact O-N 3.48Å; C266-C290 HydrophobicContact CB-CB 4.18Å; C266-C290 WeakPolarHBondContact CB-SG 3.07Å; C266-C290 PolarHBondContact SG-SG 2.78Å
267G89.1Confident92.3Very high47 Ų4750.2 Ų50.249%0.48526%0.258SS..  trans69.115.4-178.300000115L262 I263L262-G267 WeakPolarHBondContact CD2-O 3.44Å; I263-G267 WeakPolarHBondContact O-CA 3.42Å; I263-G267 PolarHBondContact O-N 3.32Å
268Y91.3Very high92.1Very high109 Ų10951.7 Ų51.743%0.42727%0.267SS..  trans-77.6145174.5-82-103.9000111.7L262 I263 C266 H289L262-Y268 WeakPolarHBondContact CA-O 3.45Å; I263-Y268 PolarHBondContact N-O 3.3Å; I263-Y268 VanDerWaalsContact N-O 3.11Å; C266-Y268 HydrophobicContact CB-CD2 3.84Å; C266-Y268 HydrophobicContact CB-CE2 4.46Å; C266-Y268 WeakPolarHBondContact O-CD2 3.33Å; C266-Y268 PolarHBondContact O-N 3.48Å; Y268-H289 AromaticContact CD1-CD2 3.7Å; Y268-H289 AromaticContact CD2-CG 3.93Å; Y268-H289 AromaticContact CD2-ND1 3.87Å; Y268-H289 AromaticContact CE1-CD2 3.45Å; Y268-H289 VanDerWaalsContact CE1-CD2 3.45Å; Y268-H289 WeakPolarHBondContact CE1-CD2 3.43Å; Y268-H289 AromaticContact CE1-NE2 3.41Å; Y268-H289 WeakPolarHBondContact CE1-NE2 3.25Å; Y268-H289 AromaticContact CE2-CE1 3.46Å; Y268-H289 VanDerWaalsContact CE2-CE1 3.46Å; Y268-H289 WeakPolarHBondContact CE2-CE1 3.45Å; Y268-H289 AromaticContact CE2-CG 3.96Å; Y268-H289 AromaticContact CE2-ND1 3.59Å; Y268-H289 AromaticContact CE2-NE2 3.73Å; Y268-H289 HydrophobicContact CG-CB 4.38Å; Y268-H289 AromaticContact CG-CG 3.99Å; Y268-H289 AromaticContact CZ-CD2 3.63Å; Y268-H289 AromaticContact CZ-CE1 3.38Å; Y268-H289 AromaticContact CZ-ND1 3.89Å; Y268-H289 AromaticContact CZ-NE2 3.18Å; Y268-H289 PolarHBondContact OH-CE1 3.49Å; Y268-H289 PolarHBondContact OH-NE2 2.94Å
269S93.3Very high92.1Very high27 Ų2744.2 Ų44.219%0.18924%0.239CC..EExtended strand (participates in β ladder)trans-101.9130.1-174.556.80000113.5S261 L306S261-S269 CarbonylContact O-C 3.58Å; S261-S269 VanDerWaalsContact O-CA 3.28Å; S261-S269 WeakPolarHBondContact O-CA 3.38Å; S269-L306 VanDerWaalsContact OG-CD1 3.26Å; S269-L306 WeakPolarHBondContact OG-CD1 3.37Å
270Y94.1Very high92Very high3 Ų345.2 Ų45.21%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-133165.8-179.8-61-90.7000111.2S251 L252 A260 S261 I263 D272 I275 P288 H289S251-Y270 WeakPolarHBondContact OG-CE1 3.44Å; L252-Y270 HydrophobicContact CB-CD1 4.45Å; L252-Y270 HydrophobicContact CD1-CD1 3.5Å; L252-Y270 VanDerWaalsContact CD1-CD1 3.5Å; L252-Y270 HydrophobicContact CD1-CE1 4.01Å; L252-Y270 HydrophobicContact CD1-CG 4.22Å; L252-Y270 HydrophobicContact CG-CD1 3.61Å; L252-Y270 HydrophobicContact CG-CE1 3.81Å; A260-Y270 CarbonylContact C-O 3.53Å; A260-Y270 WeakPolarHBondContact CA-O 3.39Å; S261-Y270 PolarHBondContact N-O 3.49Å; S261-Y270 PolarHBondContact O-N 3.21Å; S261-Y270 PolarHBondContact OG-O 3.06Å; I263-Y270 HydrophobicContact CD1-CD2 3.67Å; I263-Y270 HydrophobicContact CD1-CE2 3.28Å; I263-Y270 HydrophobicContact CG1-CD2 3.68Å; I263-Y270 HydrophobicContact CG1-CE2 3.67Å; Y270-D272 PolarHBondContact O-N 3.27Å; Y270-I275 HydrophobicContact CD2-CB 4.47Å; Y270-I275 HydrophobicContact CD2-CG1 4.42Å; Y270-I275 HydrophobicContact CG-CB 4.11Å; Y270-I275 HydrophobicContact CG-CG1 4.5Å; Y270-P288 HydrophobicContact CE1-CG 3.96Å; Y270-H289 WeakPolarHBondContact OH-CB 3.39Å
271C94.5Very high91.7Very high3 Ų351.1 Ų51.12%0.0227%0.271CS..EExtended strand (participates in β ladder)trans-63.9131.7161.9-58.90000108.7C250 R258 E273 C274 I275C250-C271 WeakPolarHBondContact CB-SG 3.23Å; C250-C271 PolarHBondContact SG-N 3.47Å; R258-C271 HydrophobicContact CB-CB 4.46Å; R258-C271 PolarHBondContact N-SG 3.08Å; R258-C271 WeakPolarHBondContact O-CA 3.29Å; R258-C271 WeakPolarHBondContact O-CB 3.39Å; C271-E273 VanDerWaalsContact C-N 3.28Å; C271-E273 PolarHBondContact O-N 3.33Å; C271-C274 HydrophobicContact CB-CB 4.02Å; C271-C274 PolarHBondContact O-N 3.09Å; C271-I275 PolarHBondContact O-N 2.8Å
272D93.6Very high91.1Very high34 Ų3452.5 Ų52.518%0.18228%0.281CS..Hα-helixtrans-52.6-44.9-180-179.672.2000112.2S261 Y270 C274 R276S261-D272 WeakPolarHBondContact OG-CA 3.3Å; Y270-D272 PolarHBondContact O-N 3.27Å; D272-C274 PolarHBondContact O-N 3.16Å; D272-R276 VanDerWaalsContact CG-NH2 3.31Å; D272-R276 WeakPolarHBondContact O-CB 3.17Å; D272-R276 WeakPolarHBondContact O-CG 3.4Å; D272-R276 PolarHBondContact O-N 3.45Å; D272-R276 VanDerWaalsContact O-N 3.11Å; D272-R276 IonicContact OD1-CZ 3.17Å; D272-R276 VanDerWaalsContact OD1-CZ 3.29Å; D272-R276 IonicContact OD1-NE 3.56Å; D272-R276 PolarHBondContact OD1-NE 3.35Å; D272-R276 IonicContact OD1-NH2 3.27Å; D272-R276 PolarHBondContact OD1-NH2 3.12Å; D272-R276 IonicContact OD2-CZ 3.56Å; D272-R276 IonicContact OD2-NE 3.09Å; D272-R276 PolarHBondContact OD2-NE 2.98Å; D272-R276 IonicContact OD2-NH2 2.69Å; D272-R276 PolarHBondContact OD2-NH2 2.69Å
273E94Very high90.4Very high128 Ų12858 Ų5860%0.59831%0.311SS*.Hα-helixtrans-56.1-49.9173.2-61.3173.5152.100112.5C271 H277C271-E273 VanDerWaalsContact C-N 3.28Å; C271-E273 PolarHBondContact O-N 3.33Å; E273-H277 WeakPolarHBondContact O-CB 3.29Å; E273-H277 PolarHBondContact O-N 2.89Å
274C93.9Very high89.9Confident28 Ų2862.2 Ų62.219%0.18933%0.334CS..Hα-helixtrans-68.5-43-173.8-61.20000112.5L252 C271 D272 H277 C278L252-C274 HydrophobicContact CB-CB 3.98Å; L252-C274 HydrophobicContact CD1-CB 3.93Å; C271-C274 HydrophobicContact CB-CB 4.02Å; C271-C274 PolarHBondContact O-N 3.09Å; D272-C274 PolarHBondContact O-N 3.16Å; C274-H277 WeakPolarHBondContact O-CB 3.44Å; C274-H277 PolarHBondContact O-N 2.98Å; C274-C278 PolarHBondContact O-N 3.32Å; C274-C278 VanDerWaalsContact O-N 3.08Å; C274-C278 PolarHBondContact O-SG 3.22Å
275I93Very high89.7Confident0 Ų064.1 Ų64.10%033%0.332CS..Hα-helixtrans-74.4-33-179.6-173.856.8000112.1L252 S261 I263 Y270 C271 H277 C278 L279 P288 L300L252-I275 HydrophobicContact CD1-CB 4.27Å; L252-I275 HydrophobicContact CD1-CD1 4.29Å; S261-I275 WeakPolarHBondContact OG-CG2 3.37Å; I263-I275 HydrophobicContact CD1-CD1 3.48Å; I263-I275 VanDerWaalsContact CD1-CD1 3.48Å; I263-I275 HydrophobicContact CD1-CG1 3.81Å; I263-I275 HydrophobicContact CG1-CD1 4.21Å; I263-I275 HydrophobicContact CG1-CG1 3.95Å; Y270-I275 HydrophobicContact CD2-CB 4.47Å; Y270-I275 HydrophobicContact CD2-CG1 4.42Å; Y270-I275 HydrophobicContact CG-CB 4.11Å; Y270-I275 HydrophobicContact CG-CG1 4.5Å; C271-I275 PolarHBondContact O-N 2.8Å; I275-H277 VanDerWaalsContact C-N 3.27Å; I275-H277 PolarHBondContact O-N 2.97Å; I275-C278 PolarHBondContact O-N 2.92Å; I275-L279 HydrophobicContact CD1-CD1 4.23Å; I275-L279 HydrophobicContact CD1-CG 3.97Å; I275-L279 HydrophobicContact CG1-CD1 3.92Å; I275-L279 HydrophobicContact CG1-CG 4.17Å; I275-L279 WeakPolarHBondContact O-CB 3.27Å; I275-L279 VanDerWaalsContact O-CG 3.27Å; I275-L279 WeakPolarHBondContact O-CG 3.5Å; I275-L279 PolarHBondContact O-N 2.95Å; I275-P288 HydrophobicContact CD1-CG 3.82Å; I275-L300 HydrophobicContact CG1-CD2 4.14Å; I275-L300 HydrophobicContact CG2-CD1 3.69Å; I275-L300 HydrophobicContact CG2-CD2 4.02Å
276R92.8Very high89.6Confident110 Ų11064.9 Ų64.942%0.41533%0.331SS..Hα-helixtrans-60.1-40.7169.1-71.1174.7-168.4-1399.2111.2D272 L279 L280 P297 L300D272-R276 VanDerWaalsContact CG-NH2 3.31Å; D272-R276 WeakPolarHBondContact O-CB 3.17Å; D272-R276 WeakPolarHBondContact O-CG 3.4Å; D272-R276 PolarHBondContact O-N 3.45Å; D272-R276 VanDerWaalsContact O-N 3.11Å; D272-R276 IonicContact OD1-CZ 3.17Å; D272-R276 VanDerWaalsContact OD1-CZ 3.29Å; D272-R276 IonicContact OD1-NE 3.56Å; D272-R276 PolarHBondContact OD1-NE 3.35Å; D272-R276 IonicContact OD1-NH2 3.27Å; D272-R276 PolarHBondContact OD1-NH2 3.12Å; D272-R276 IonicContact OD2-CZ 3.56Å; D272-R276 IonicContact OD2-NE 3.09Å; D272-R276 PolarHBondContact OD2-NE 2.98Å; D272-R276 IonicContact OD2-NH2 2.69Å; D272-R276 PolarHBondContact OD2-NH2 2.69Å; R276-L279 PolarHBondContact O-N 2.82Å; R276-L280 WeakPolarHBondContact O-CB 3.27Å; R276-L280 WeakPolarHBondContact O-CD1 3.24Å; R276-L280 WeakPolarHBondContact O-CG 3.28Å; R276-L280 PolarHBondContact O-N 3.41Å; R276-P297 HydrophobicContact CG-CB 4.26Å; R276-L300 HydrophobicContact CG-CD1 3.61Å
277H90.6Very high89.7Confident113 Ų11363 Ų6352%0.52332%0.318SS..Hα-helixtrans-60.2-53.9176.1-154.5-92.2000111.2E273 C274 I275 L279 L280 E281E273-H277 WeakPolarHBondContact O-CB 3.29Å; E273-H277 PolarHBondContact O-N 2.89Å; C274-H277 WeakPolarHBondContact O-CB 3.44Å; C274-H277 PolarHBondContact O-N 2.98Å; I275-H277 VanDerWaalsContact C-N 3.27Å; I275-H277 PolarHBondContact O-N 2.97Å; H277-L279 VanDerWaalsContact C-N 3.32Å; H277-L279 PolarHBondContact O-N 3.26Å; H277-L280 CarbonylContact O-C 3.57Å; H277-L280 WeakPolarHBondContact O-CA 3.17Å; H277-L280 PolarHBondContact O-N 3.46Å; H277-E281 IonicContact CE1-OE1 3.14Å; H277-E281 PolarHBondContact CE1-OE1 2.92Å; H277-E281 IonicContact CE1-OE2 2.74Å; H277-E281 IonicContact CG-OE2 2.72Å; H277-E281 IonicContact ND1-OE1 2.7Å; H277-E281 PolarHBondContact ND1-OE1 3.14Å; H277-E281 IonicContact ND1-OE2 2.77Å; H277-E281 PolarHBondContact ND1-OE2 2.95Å; H277-E281 WeakPolarHBondContact O-CG 3.17Å; H277-E281 PolarHBondContact O-N 2.88Å
278C88.1Confident89.7Confident32 Ų3263 Ų6322%0.21631%0.31CS..Hα-helixtrans-67.1-27.8-178.8-59.70000114.2L252 C274 I275 L280 S282L252-C278 HydrophobicContact CD1-CB 4.41Å; C274-C278 PolarHBondContact O-N 3.32Å; C274-C278 VanDerWaalsContact O-N 3.08Å; C274-C278 PolarHBondContact O-SG 3.22Å; I275-C278 PolarHBondContact O-N 2.92Å; C278-L280 PolarHBondContact O-N 3.46Å; C278-S282 PolarHBondContact O-N 2.79Å; C278-S282 PolarHBondContact O-OG 2.81Å
279L91.5Very high89.5Confident0 Ų062.2 Ų62.20%031%0.31CS..Hα-helixtrans-78.6-3.1171.2-68.7175.6000114I275 R276 H277 R285 Q286 I295 P297 L300I275-L279 HydrophobicContact CD1-CD1 4.23Å; I275-L279 HydrophobicContact CD1-CG 3.97Å; I275-L279 HydrophobicContact CG1-CD1 3.92Å; I275-L279 HydrophobicContact CG1-CG 4.17Å; I275-L279 WeakPolarHBondContact O-CB 3.27Å; I275-L279 VanDerWaalsContact O-CG 3.27Å; I275-L279 WeakPolarHBondContact O-CG 3.5Å; I275-L279 PolarHBondContact O-N 2.95Å; R276-L279 PolarHBondContact O-N 2.82Å; H277-L279 VanDerWaalsContact C-N 3.32Å; H277-L279 PolarHBondContact O-N 3.26Å; L279-R285 HydrophobicContact CD2-CB 4.43Å; L279-R285 WeakPolarHBondContact CD2-O 3.45Å; L279-Q286 WeakPolarHBondContact CD2-O 3.37Å; L279-I295 HydrophobicContact CD1-CB 4.42Å; L279-I295 HydrophobicContact CD1-CG2 3.78Å; L279-I295 HydrophobicContact CD2-CB 3.93Å; L279-I295 HydrophobicContact CD2-CD1 4.42Å; L279-I295 HydrophobicContact CD2-CG2 4.16Å; L279-P297 HydrophobicContact CB-CG 4.06Å; L279-L300 HydrophobicContact CD1-CD2 4.12Å
280L89.5Confident89.3Confident118 Ų11863.1 Ų63.162%0.61832%0.316SS*.Hα-helixtrans-111.4-26.7172.6-70.2169.8000112.2R276 H277 C278 P297R276-L280 WeakPolarHBondContact O-CB 3.27Å; R276-L280 WeakPolarHBondContact O-CD1 3.24Å; R276-L280 WeakPolarHBondContact O-CG 3.28Å; R276-L280 PolarHBondContact O-N 3.41Å; H277-L280 CarbonylContact O-C 3.57Å; H277-L280 WeakPolarHBondContact O-CA 3.17Å; H277-L280 PolarHBondContact O-N 3.46Å; C278-L280 PolarHBondContact O-N 3.46Å; L280-P297 HydrophobicContact CD2-CG 4.18Å; L280-P297 HydrophobicContact CG-CG 4.25Å
281E87.1Confident88.8Confident124 Ų12469 Ų6958%0.57934%0.343SS*.Hα-helixtrans-77.5-21.7171.8-72174.7123.100113.5H277H277-E281 IonicContact CE1-OE1 3.14Å; H277-E281 PolarHBondContact CE1-OE1 2.92Å; H277-E281 IonicContact CE1-OE2 2.74Å; H277-E281 IonicContact CG-OE2 2.72Å; H277-E281 IonicContact ND1-OE1 2.7Å; H277-E281 PolarHBondContact ND1-OE1 3.14Å; H277-E281 IonicContact ND1-OE2 2.77Å; H277-E281 PolarHBondContact ND1-OE2 2.95Å; H277-E281 WeakPolarHBondContact O-CG 3.17Å; H277-E281 PolarHBondContact O-N 2.88Å
282S81Confident88.4Confident31 Ų3174.1 Ų74.122%0.21737%0.367CS..SBendtrans-98.8119.7174.355.50000110.6C278 D284 R285 Q286C278-S282 PolarHBondContact O-N 2.79Å; C278-S282 PolarHBondContact O-OG 2.81Å; S282-D284 VanDerWaalsContact C-N 3.26Å; S282-D284 PolarHBondContact O-N 3.3Å; S282-R285 WeakPolarHBondContact O-CA 3.49Å; S282-R285 PolarHBondContact O-N 3.33Å; S282-Q286 PolarHBondContact OG-N 3.18Å; S282-Q286 VanDerWaalsContact OG-N 3.1Å
283D79.4Confident88Confident159 Ų15976.4 Ų76.485%0.8538%0.379SS*.THydrogen-bonded Turntrans-55.3-41.8-178.6-61.6-55.7000112.1R285D283-R285 VanDerWaalsContact C-N 3.28Å; D283-R285 PolarHBondContact O-N 2.91Å
284D82.2Confident87.5Confident89 Ų8973.2 Ų73.248%0.47638%0.38SS..THydrogen-bonded Turntrans-77.1-6177.5-63-45000114.6S282 Q286 N293 G294S282-D284 VanDerWaalsContact C-N 3.26Å; S282-D284 PolarHBondContact O-N 3.3Å; D284-Q286 HydrophobicContact CB-CG 3.58Å; D284-Q286 PolarHBondContact OD2-NE2 3.11Å; D284-N293 HydrophobicContact CB-CB 4.27Å; D284-G294 PolarHBondContact O-N 3.42Å
285R85.4Confident87.1Confident107 Ų10772.5 Ų72.540%0.40438%0.375SS..  trans56.856.8-175.9-46.7173.2-177.8-81.3-0.9112.6L279 S282 D283 G294 I295L279-R285 HydrophobicContact CD2-CB 4.43Å; L279-R285 WeakPolarHBondContact CD2-O 3.45Å; S282-R285 WeakPolarHBondContact O-CA 3.49Å; S282-R285 PolarHBondContact O-N 3.33Å; D283-R285 VanDerWaalsContact C-N 3.28Å; D283-R285 PolarHBondContact O-N 2.91Å; R285-G294 PolarHBondContact O-N 2.95Å; R285-I295 WeakPolarHBondContact CB-O 3.46Å; R285-I295 PolarHBondContact O-N 3.45Å
286Q88.5Confident86.6Confident60 Ų6075 Ų7528%0.2839%0.392SS..  trans-86.8142.9-170.6-45-166.4-4.700112.7L279 S282 D284 E292 N293L279-Q286 WeakPolarHBondContact CD2-O 3.37Å; S282-Q286 PolarHBondContact OG-N 3.18Å; S282-Q286 VanDerWaalsContact OG-N 3.1Å; D284-Q286 HydrophobicContact CB-CG 3.58Å; D284-Q286 PolarHBondContact OD2-NE2 3.11Å; Q286-E292 WeakPolarHBondContact CA-O 3.49Å; Q286-N293 VanDerWaalsContact CG-OD1 3.29Å; Q286-N293 WeakPolarHBondContact CG-OD1 3.29Å
287C90.8Very high86.3Confident1 Ų170.8 Ų70.81%0.00738%0.379CS..  trans-73130.217049.40000112.2I263 C265 H289 C290 H291 E292 I295I263-C287 HydrophobicContact CD1-CB 4.05Å; I263-C287 HydrophobicContact CG2-CB 4.34Å; C265-C287 VanDerWaalsContact SG-SG 3.65Å; C287-H289 PolarHBondContact O-N 2.55Å; C287-C290 HydrophobicContact CB-CB 4.47Å; C287-C290 WeakPolarHBondContact CB-SG 3.4Å; C287-C290 PolarHBondContact O-N 2.86Å; C287-C290 VanDerWaalsContact SG-C 3.51Å; C287-C290 VanDerWaalsContact SG-CA 3.5Å; C287-C290 WeakPolarHBondContact SG-CB 3.01Å; C287-C290 CovalentContact SG-SG 2.03Å; C287-C290 PolarHBondContact SG-SG 2.89Å; C287-H291 PolarHBondContact O-N 3.42Å; C287-H291 PolarHBondContact SG-N 2.84Å; C287-E292 PolarHBondContact N-O 2.8Å; C287-E292 PolarHBondContact SG-N 2.97Å; C287-I295 HydrophobicContact CB-CD1 3.48Å; C287-I295 VanDerWaalsContact CB-CD1 3.48Å
288P88.2Confident86.1Confident48 Ų4871.8 Ų71.831%0.31239%0.393SS..THydrogen-bonded Turntrans-711.4-177.229.1-36.6000115.3L252 I263 Y270 I275L252-P288 HydrophobicContact CD1-CG 4.32Å; L252-P288 HydrophobicContact CD2-CB 3.96Å; L252-P288 HydrophobicContact CD2-CG 3.99Å; L252-P288 HydrophobicContact CG-CG 4.46Å; I263-P288 HydrophobicContact CD1-CG 4.49Å; Y270-P288 HydrophobicContact CE1-CG 3.96Å; I275-P288 HydrophobicContact CD1-CG 3.82Å
289H87.1Confident86Confident91 Ų9172.3 Ų72.342%0.42140%0.4SS..THydrogen-bonded Turntrans-114.8-26.5174.3-176.5-74.7000113.4Y268 Y270 C287Y268-H289 AromaticContact CD1-CD2 3.7Å; Y268-H289 AromaticContact CD2-CG 3.93Å; Y268-H289 AromaticContact CD2-ND1 3.87Å; Y268-H289 AromaticContact CE1-CD2 3.45Å; Y268-H289 VanDerWaalsContact CE1-CD2 3.45Å; Y268-H289 WeakPolarHBondContact CE1-CD2 3.43Å; Y268-H289 AromaticContact CE1-NE2 3.41Å; Y268-H289 WeakPolarHBondContact CE1-NE2 3.25Å; Y268-H289 AromaticContact CE2-CE1 3.46Å; Y268-H289 VanDerWaalsContact CE2-CE1 3.46Å; Y268-H289 WeakPolarHBondContact CE2-CE1 3.45Å; Y268-H289 AromaticContact CE2-CG 3.96Å; Y268-H289 AromaticContact CE2-ND1 3.59Å; Y268-H289 AromaticContact CE2-NE2 3.73Å; Y268-H289 HydrophobicContact CG-CB 4.38Å; Y268-H289 AromaticContact CG-CG 3.99Å; Y268-H289 AromaticContact CZ-CD2 3.63Å; Y268-H289 AromaticContact CZ-CE1 3.38Å; Y268-H289 AromaticContact CZ-ND1 3.89Å; Y268-H289 AromaticContact CZ-NE2 3.18Å; Y268-H289 PolarHBondContact OH-CE1 3.49Å; Y268-H289 PolarHBondContact OH-NE2 2.94Å; Y270-H289 WeakPolarHBondContact OH-CB 3.39Å; C287-H289 PolarHBondContact O-N 2.55Å
290C90.3Very high86Confident47 Ų4773.2 Ų73.232%0.31841%0.405SS..THydrogen-bonded Turntrans-123.5-16-169.836.30000114.5C265 C266 C287 E292C265-C290 PolarHBondContact SG-SG 3.03Å; C266-C290 HydrophobicContact CB-CB 4.18Å; C266-C290 WeakPolarHBondContact CB-SG 3.07Å; C266-C290 PolarHBondContact SG-SG 2.78Å; C287-C290 HydrophobicContact CB-CB 4.47Å; C287-C290 WeakPolarHBondContact CB-SG 3.4Å; C287-C290 PolarHBondContact O-N 2.86Å; C287-C290 VanDerWaalsContact SG-C 3.51Å; C287-C290 VanDerWaalsContact SG-CA 3.5Å; C287-C290 WeakPolarHBondContact SG-CB 3.01Å; C287-C290 CovalentContact SG-SG 2.03Å; C287-C290 PolarHBondContact SG-SG 2.89Å; C290-E292 PolarHBondContact O-N 2.82Å; C290-E292 VanDerWaalsContact O-N 3.14Å
291H84.3Confident86.2Confident126 Ų12671.6 Ų71.658%0.58340%0.396SS*.  trans53.130.2-177.4-47.7-71.9000113.8C287 N293C287-H291 PolarHBondContact O-N 3.42Å; C287-H291 PolarHBondContact SG-N 2.84Å; H291-N293 PolarHBondContact O-OD1 3.08Å
292E85Confident86.5Confident111 Ų11169.9 Ų69.952%0.51940%0.396SS..  trans-84.7136.3164.4-173170.5-158.100108.9C265 Q286 C287 C290 I295C265-E292 WeakPolarHBondContact CB-OE2 3.4Å; Q286-E292 WeakPolarHBondContact CA-O 3.49Å; C287-E292 PolarHBondContact N-O 2.8Å; C287-E292 PolarHBondContact SG-N 2.97Å; C290-E292 PolarHBondContact O-N 2.82Å; C290-E292 VanDerWaalsContact O-N 3.14Å; E292-I295 VanDerWaalsContact O-CD1 3.29Å; E292-I295 WeakPolarHBondContact O-CD1 3.45Å
293N85Confident87Confident81 Ų8169.8 Ų69.843%0.43339%0.393SS..  trans-100.4168.3-167.4-63.65.2000111.8D284 Q286 H291D284-N293 HydrophobicContact CB-CB 4.27Å; Q286-N293 VanDerWaalsContact CG-OD1 3.29Å; Q286-N293 WeakPolarHBondContact CG-OD1 3.29Å; H291-N293 PolarHBondContact O-OD1 3.08Å
294G83.6Confident87.6Confident61 Ų6164.2 Ų64.263%0.62937%0.372SS*.  trans79.915.1171.900000115.2D284 R285 S296D284-G294 PolarHBondContact O-N 3.42Å; R285-G294 PolarHBondContact O-N 2.95Å; G294-S296 PolarHBondContact O-N 2.89Å
295I84.8Confident88.1Confident13 Ų1368.3 Ų68.37%0.06739%0.386CS..  trans-77.2113.4179.8-59.5152.6000109I263 P264 C265 L279 R285 C287 E292I263-I295 HydrophobicContact CG2-CD1 3.9Å; I263-I295 HydrophobicContact CG2-CG1 4.47Å; I263-I295 HydrophobicContact CG2-CG2 3.83Å; P264-I295 HydrophobicContact CG-CG2 4.21Å; C265-I295 VanDerWaalsContact SG-CD1 3.5Å; L279-I295 HydrophobicContact CD1-CB 4.42Å; L279-I295 HydrophobicContact CD1-CG2 3.78Å; L279-I295 HydrophobicContact CD2-CB 3.93Å; L279-I295 HydrophobicContact CD2-CD1 4.42Å; L279-I295 HydrophobicContact CD2-CG2 4.16Å; R285-I295 WeakPolarHBondContact CB-O 3.46Å; R285-I295 PolarHBondContact O-N 3.45Å; C287-I295 HydrophobicContact CB-CD1 3.48Å; C287-I295 VanDerWaalsContact CB-CD1 3.48Å; E292-I295 VanDerWaalsContact O-CD1 3.29Å; E292-I295 WeakPolarHBondContact O-CD1 3.45Å
296S83.7Confident88.4Confident52 Ų5264.9 Ų64.936%0.36438%0.375SS..  trans-74.5137.6177.273.50000111.2G294 T298 A299G294-S296 PolarHBondContact O-N 2.89Å; S296-T298 PolarHBondContact O-N 3.25Å; S296-A299 PolarHBondContact O-N 3.15Å; S296-A299 WeakPolarHBondContact OG-CB 3.19Å; S296-A299 PolarHBondContact OG-N 2.91Å
297P85.7Confident88.7Confident22 Ų2265.4 Ų65.414%0.14338%0.375CS..G310 helixtrans-57-18.9172.9-27.835.6000114.3R276 L279 L280 L300R276-P297 HydrophobicContact CG-CB 4.26Å; L279-P297 HydrophobicContact CB-CG 4.06Å; L280-P297 HydrophobicContact CD2-CG 4.18Å; L280-P297 HydrophobicContact CG-CG 4.25Å; P297-L300 WeakPolarHBondContact O-CD1 3.4Å
298T86.7Confident88.8Confident134 Ų13472 Ų7282%0.82241%0.405SS*.G310 helixtrans-80-21.5176.4-39.80000113.1S296 L300S296-T298 PolarHBondContact O-N 3.25Å; T298-L300 VanDerWaalsContact C-N 3.32Å; T298-L300 PolarHBondContact O-N 3.37Å
299A87.2Confident88.9Confident43 Ų4371.6 Ų71.636%0.35541%0.407SS..G310 helixtrans-88.711.8-177.500000114.3P264 S296P264-A299 HydrophobicContact CG-CB 4.29Å; S296-A299 PolarHBondContact O-N 3.15Å; S296-A299 WeakPolarHBondContact OG-CB 3.19Å; S296-A299 PolarHBondContact OG-N 2.91Å
300L91Very high89.2Confident19 Ų1967.5 Ų67.510%0.09939%0.388CS..PPolyproline II helixtrans-74.5130.5178.4-65171.4000111.4I263 I275 R276 L279 P297 T298I263-L300 HydrophobicContact CG1-CD2 4.49Å; I275-L300 HydrophobicContact CG1-CD2 4.14Å; I275-L300 HydrophobicContact CG2-CD1 3.69Å; I275-L300 HydrophobicContact CG2-CD2 4.02Å; R276-L300 HydrophobicContact CG-CD1 3.61Å; L279-L300 HydrophobicContact CD1-CD2 4.12Å; P297-L300 WeakPolarHBondContact O-CD1 3.4Å; T298-L300 VanDerWaalsContact C-N 3.32Å; T298-L300 PolarHBondContact O-N 3.37Å
301I92.4Very high89.2Confident85 Ų8572.2 Ų72.244%0.43640%0.403SS..EExtended strand (participates in β ladder)trans-101.7120.1-172.1-58.9172.4000110.4L262 N303L262-I301 HydrophobicContact CB-CB 4.3Å; L262-I301 PolarHBondContact N-O 3.25Å; L262-I301 PolarHBondContact O-N 3.31Å; I301-N303 PolarHBondContact O-N 2.86Å
302P93.6Very high89.5Confident88 Ų8869.2 Ų69.257%0.57140%0.4SS*.EExtended strand (participates in β ladder)trans-60.8125.3-179.7-26.936.3000114.1G304P302-G304 PolarHBondContact O-N 3.17Å
303N91.5Very high89.7Confident29 Ų2966.2 Ų66.216%0.15539%0.385CS..  trans-89.990.2175.6-167.5-33.5000111.4A260 L262 I301 K305 L306 R307A260-N303 HydrophobicContact CB-CB 4.15Å; A260-N303 PolarHBondContact O-N 3.38Å; L262-N303 HydrophobicContact CD2-CB 4.15Å; L262-N303 WeakPolarHBondContact CD2-ND2 3.37Å; L262-N303 HydrophobicContact CG-CB 4.04Å; I301-N303 PolarHBondContact O-N 2.86Å; N303-K305 VanDerWaalsContact C-N 3.34Å; N303-K305 PolarHBondContact O-N 2.9Å; N303-K305 PolarHBondContact OD1-N 3.03Å; N303-L306 HydrophobicContact CB-CB 4.34Å; N303-L306 VanDerWaalsContact ND2-CD1 3.32Å; N303-L306 WeakPolarHBondContact ND2-CD1 3.23Å; N303-L306 PolarHBondContact O-N 3.43Å; N303-L306 PolarHBondContact OD1-N 3.26Å; N303-R307 WeakPolarHBondContact O-CG 3.15Å; N303-R307 PolarHBondContact O-N 2.89Å; N303-R307 VanDerWaalsContact O-N 3.11Å
304G92.1Very high89.9Confident41 Ų4166.7 Ų66.742%0.42339%0.385SS..Hα-helixtrans-55.5-43.9177.500000113.7P302 L306 R307 E308P302-G304 PolarHBondContact O-N 3.17Å; G304-L306 PolarHBondContact O-N 2.89Å; G304-R307 PolarHBondContact O-N 3.4Å; G304-E308 WeakPolarHBondContact O-CG 3.3Å; G304-E308 PolarHBondContact O-N 3.29Å
305K92.5Very high90.1Very high175 Ų17567.4 Ų67.476%0.76138%0.377SS*.Hα-helixtrans-62.6-43.5-176.9-66.1-177.7179.3178.80112.6N303 E308 A309N303-K305 VanDerWaalsContact C-N 3.34Å; N303-K305 PolarHBondContact O-N 2.9Å; N303-K305 PolarHBondContact OD1-N 3.03Å; K305-E308 PolarHBondContact O-N 3.36Å; K305-A309 WeakPolarHBondContact O-CB 3.31Å; K305-A309 PolarHBondContact O-N 2.93Å
306L92.2Very high90Very high35 Ų3569.5 Ų69.518%0.18339%0.393CS..Hα-helixtrans-72.5-35.2176.7-69.8179.1000112.1L248 L257 A260 S269 N303 G304 E308 A309 V310L248-L306 HydrophobicContact CD2-CD2 4.11Å; L257-L306 HydrophobicContact CD1-CD1 4.05Å; A260-L306 HydrophobicContact CB-CB 3.76Å; S269-L306 VanDerWaalsContact OG-CD1 3.26Å; S269-L306 WeakPolarHBondContact OG-CD1 3.37Å; N303-L306 HydrophobicContact CB-CB 4.34Å; N303-L306 VanDerWaalsContact ND2-CD1 3.32Å; N303-L306 WeakPolarHBondContact ND2-CD1 3.23Å; N303-L306 PolarHBondContact O-N 3.43Å; N303-L306 PolarHBondContact OD1-N 3.26Å; G304-L306 PolarHBondContact O-N 2.89Å; L306-E308 VanDerWaalsContact C-N 3.31Å; L306-E308 PolarHBondContact O-N 3.27Å; L306-A309 PolarHBondContact O-N 2.82Å; L306-V310 VanDerWaalsContact O-CB 3.28Å; L306-V310 WeakPolarHBondContact O-CB 3.42Å; L306-V310 VanDerWaalsContact O-CG2 3.25Å; L306-V310 WeakPolarHBondContact O-CG2 3.14Å; L306-V310 PolarHBondContact O-N 2.88Å
307R94.3Very high89.9Confident72 Ų7272 Ų7227%0.27240%0.4SS..Hα-helixtrans-61.2-40.2172.2-68.5179.1-165.7-153.86.6111.4D259 A260 N303 G304 K311D259-R307 VanDerWaalsContact C-CZ 3.41Å; D259-R307 VanDerWaalsContact O-CZ 3.31Å; D259-R307 PolarHBondContact O-NE 3.16Å; D259-R307 PolarHBondContact O-NH2 3.22Å; D259-R307 IonicContact OD1-CZ 2.77Å; D259-R307 IonicContact OD1-NE 3.81Å; D259-R307 IonicContact OD1-NH1 3.74Å; D259-R307 PolarHBondContact OD1-NH1 3.44Å; A260-R307 HydrophobicContact CB-CG 4.03Å; A260-R307 PolarHBondContact O-NE 2.85Å; A260-R307 PolarHBondContact O-NH2 3.31Å; N303-R307 WeakPolarHBondContact O-CG 3.15Å; N303-R307 PolarHBondContact O-N 2.89Å; N303-R307 VanDerWaalsContact O-N 3.11Å; G304-R307 PolarHBondContact O-N 3.4Å; R307-K311 VanDerWaalsContact O-CB 3.23Å; R307-K311 WeakPolarHBondContact O-CB 3.4Å; R307-K311 PolarHBondContact O-N 3.34Å
308E93.2Very high89.4Confident138 Ų13876.8 Ų76.865%0.64543%0.425SS*.Hα-helixtrans-66.5-47.6173.6-74.2173.4-165.600112.6G304 K305 L306 V310 K311 A312G304-E308 WeakPolarHBondContact O-CG 3.3Å; G304-E308 PolarHBondContact O-N 3.29Å; K305-E308 PolarHBondContact O-N 3.36Å; L306-E308 VanDerWaalsContact C-N 3.31Å; L306-E308 PolarHBondContact O-N 3.27Å; E308-V310 PolarHBondContact O-N 2.93Å; E308-K311 PolarHBondContact O-N 3.33Å; E308-A312 WeakPolarHBondContact O-CB 3.18Å; E308-A312 PolarHBondContact O-N 2.66Å
309A91.5Very high88.4Confident41 Ų4174.6 Ų74.634%0.33941%0.408SS..Hα-helixtrans-61.7-44.1178.500000112.3L248 K305 L306 A312 F313L248-A309 HydrophobicContact CD2-CB 3.84Å; K305-A309 WeakPolarHBondContact O-CB 3.31Å; K305-A309 PolarHBondContact O-N 2.93Å; L306-A309 PolarHBondContact O-N 2.82Å; A309-A312 PolarHBondContact O-N 2.92Å; A309-F313 WeakPolarHBondContact O-CB 3.45Å; A309-F313 PolarHBondContact O-N 3.04Å
310V92.4Very high87Confident5 Ų577.8 Ų77.83%0.0342%0.423CS..Hα-helixtrans-58.9-46.4172.2163.90000111.1L248 L256 L257 L306 E308 A312 F313 Q314L248-V310 HydrophobicContact CB-CG2 4.26Å; L248-V310 HydrophobicContact CD2-CG2 4.28Å; L256-V310 HydrophobicContact CD1-CG2 4.39Å; L256-V310 HydrophobicContact CD2-CG1 3.86Å; L256-V310 HydrophobicContact CG-CG1 3.89Å; L256-V310 HydrophobicContact CG-CG2 4.23Å; L257-V310 HydrophobicContact CB-CG2 4.01Å; L306-V310 VanDerWaalsContact O-CB 3.28Å; L306-V310 WeakPolarHBondContact O-CB 3.42Å; L306-V310 VanDerWaalsContact O-CG2 3.25Å; L306-V310 WeakPolarHBondContact O-CG2 3.14Å; L306-V310 PolarHBondContact O-N 2.88Å; E308-V310 PolarHBondContact O-N 2.93Å; V310-A312 PolarHBondContact O-N 3.09Å; V310-F313 PolarHBondContact O-N 3.37Å; V310-Q314 HydrophobicContact CG1-CG 4.36Å; V310-Q314 VanDerWaalsContact CG1-NE2 3.31Å; V310-Q314 WeakPolarHBondContact O-CG 3.34Å; V310-Q314 PolarHBondContact O-N 2.82Å
311K91.2Very high85Confident146 Ų14681.5 Ų81.564%0.63545%0.45SS*.Hα-helixtrans-65.4-38-179.9-173.3174.5-177.71760112.2R307 E308 T315R307-K311 VanDerWaalsContact O-CB 3.23Å; R307-K311 WeakPolarHBondContact O-CB 3.4Å; R307-K311 PolarHBondContact O-N 3.34Å; E308-K311 PolarHBondContact O-N 3.33Å; K311-T315 WeakPolarHBondContact O-CB 3.31Å; K311-T315 PolarHBondContact O-N 2.69Å; K311-T315 PolarHBondContact O-OG1 3.19Å
312A90Very high82.9Confident63 Ų6384.2 Ų84.252%0.52147%0.465SS..Hα-helixtrans-64.4-42.6171.900000111.5E308 A309 V310 T315 S316E308-A312 WeakPolarHBondContact O-CB 3.18Å; E308-A312 PolarHBondContact O-N 2.66Å; A309-A312 PolarHBondContact O-N 2.92Å; V310-A312 PolarHBondContact O-N 3.09Å; A312-T315 CarbonylContact O-C 3.57Å; A312-T315 WeakPolarHBondContact O-CB 3.15Å; A312-T315 PolarHBondContact O-N 2.92Å; A312-S316 PolarHBondContact O-N 3.35Å
313F89.6Confident80.4Confident48 Ų4889.4 Ų89.421%0.21148%0.479CS..Hα-helixtrans-67.7-41.7178.2-173.7-94.4000113.1L244 P245 L248 L256 A309 V310 T315 S316 M317L244-F313 HydrophobicContact CD2-CE1 3.87Å; L244-F313 HydrophobicContact CD2-CZ 3.79Å; P245-F313 HydrophobicContact CG-CD2 4.49Å; P245-F313 HydrophobicContact CG-CE2 4.16Å; L248-F313 HydrophobicContact CD1-CB 3.79Å; L248-F313 HydrophobicContact CD1-CD1 4.4Å; L248-F313 HydrophobicContact CD1-CD2 4.14Å; L248-F313 HydrophobicContact CD1-CG 3.85Å; L256-F313 HydrophobicContact CD1-CD1 3.87Å; L256-F313 HydrophobicContact CD1-CE1 4.2Å; L256-F313 HydrophobicContact CD2-CD1 4.1Å; A309-F313 WeakPolarHBondContact O-CB 3.45Å; A309-F313 PolarHBondContact O-N 3.04Å; V310-F313 PolarHBondContact O-N 3.37Å; F313-T315 VanDerWaalsContact C-N 3.26Å; F313-T315 PolarHBondContact O-N 3.24Å; F313-S316 PolarHBondContact O-N 2.88Å; F313-S316 PolarHBondContact O-OG 2.8Å; F313-M317 HydrophobicContact CD1-CG 4.16Å; F313-M317 HydrophobicContact CD1-SD 4.19Å; F313-M317 HydrophobicContact CE1-CG 3.76Å; F313-M317 HydrophobicContact CE1-SD 3.4Å; F313-M317 WeakPolarHBondContact CE1-SD 3.25Å; F313-M317 HydrophobicContact CZ-CG 4.04Å; F313-M317 HydrophobicContact CZ-SD 3.87Å; F313-M317 WeakPolarHBondContact O-CG 3.13Å; F313-M317 PolarHBondContact O-N 3.16Å
314Q88.3Confident78.4Confident90 Ų9094 Ų9442%0.42151%0.508SS..Hα-helixtrans-59.3-40169.7-69.917819.900111.2L256 V310 N318L256-Q314 HydrophobicContact CD2-CG 3.53Å; V310-Q314 HydrophobicContact CG1-CG 4.36Å; V310-Q314 VanDerWaalsContact CG1-NE2 3.31Å; V310-Q314 WeakPolarHBondContact O-CG 3.34Å; V310-Q314 PolarHBondContact O-N 2.82Å; Q314-N318 WeakPolarHBondContact O-CB 3.16Å; Q314-N318 PolarHBondContact O-N 2.87Å; Q314-N318 PolarHBondContact O-ND2 3.12Å
315T87.2Confident75.8Confident76 Ų7697.2 Ų97.247%0.46652%0.522SS..Hα-helixtrans-66.8-39178.3-57.30000111.8K311 A312 F313 N319K311-T315 WeakPolarHBondContact O-CB 3.31Å; K311-T315 PolarHBondContact O-N 2.69Å; K311-T315 PolarHBondContact O-OG1 3.19Å; A312-T315 CarbonylContact O-C 3.57Å; A312-T315 WeakPolarHBondContact O-CB 3.15Å; A312-T315 PolarHBondContact O-N 2.92Å; F313-T315 VanDerWaalsContact C-N 3.26Å; F313-T315 PolarHBondContact O-N 3.24Å; T315-N319 PolarHBondContact O-N 2.83Å; T315-N319 PolarHBondContact O-ND2 2.89Å
316S82.9Confident73.6Confident57 Ų5794.9 Ų94.940%0.39952%0.522SS..Hα-helixtrans-69.3-47.4175.165.50000111.6A312 F313 N318 N319 V320A312-S316 PolarHBondContact O-N 3.35Å; F313-S316 PolarHBondContact O-N 2.88Å; F313-S316 PolarHBondContact O-OG 2.8Å; S316-N318 VanDerWaalsContact C-N 3.3Å; S316-N318 PolarHBondContact O-N 2.82Å; S316-N319 PolarHBondContact O-N 3.05Å; S316-N319 VanDerWaalsContact O-N 3.14Å; S316-V320 VanDerWaalsContact O-CG2 3.28Å; S316-V320 WeakPolarHBondContact O-CG2 3.5Å; S316-V320 PolarHBondContact O-N 2.74Å; S316-V320 VanDerWaalsContact O-N 3.09Å
317M81.5Confident71.6Confident106 Ų106101.9 Ų101.952%0.52255%0.554SS.*Hα-helixtrans-55.4-43.5176.8-70.7-153.482.800112.5L244 F313 N319 V320L244-M317 HydrophobicContact CD2-CE 4.41Å; L244-M317 HydrophobicContact CD2-SD 4.17Å; F313-M317 HydrophobicContact CD1-CG 4.16Å; F313-M317 HydrophobicContact CD1-SD 4.19Å; F313-M317 HydrophobicContact CE1-CG 3.76Å; F313-M317 HydrophobicContact CE1-SD 3.4Å; F313-M317 WeakPolarHBondContact CE1-SD 3.25Å; F313-M317 HydrophobicContact CZ-CG 4.04Å; F313-M317 HydrophobicContact CZ-SD 3.87Å; F313-M317 WeakPolarHBondContact O-CG 3.13Å; F313-M317 PolarHBondContact O-N 3.16Å; M317-N319 VanDerWaalsContact C-N 3.35Å; M317-N319 PolarHBondContact O-N 2.63Å; M317-V320 PolarHBondContact O-N 2.67Å
318N76.8Confident69.4Low122 Ų122106.8 Ų106.865%0.65258%0.58SS**Hα-helixtrans-67.4-31.8-179.4-72.9-22.2000113.3Q314 S316 S321Q314-N318 WeakPolarHBondContact O-CB 3.16Å; Q314-N318 PolarHBondContact O-N 2.87Å; Q314-N318 PolarHBondContact O-ND2 3.12Å; S316-N318 VanDerWaalsContact C-N 3.3Å; S316-N318 PolarHBondContact O-N 2.82Å; N318-S321 PolarHBondContact O-OG 2.92Å
319N65.3Low67.3Low88 Ų88108 Ų10847%0.47159%0.589SS.*Hα-helixtrans-83.7-23.8179.4-77.7-77.7000113.7T315 S316 M317 S321 L322T315-N319 PolarHBondContact O-N 2.83Å; T315-N319 PolarHBondContact O-ND2 2.89Å; S316-N319 PolarHBondContact O-N 3.05Å; S316-N319 VanDerWaalsContact O-N 3.14Å; M317-N319 VanDerWaalsContact C-N 3.35Å; M317-N319 PolarHBondContact O-N 2.63Å; N319-S321 PolarHBondContact O-N 3.02Å; N319-L322 PolarHBondContact O-N 2.62Å
320V56.8Low65Low110 Ų110110.7 Ų110.767%0.66761%0.612SS**THydrogen-bonded Turntrans-67.7-6.4-177.4164.60000114S316 M317 L322S316-V320 VanDerWaalsContact O-CG2 3.28Å; S316-V320 WeakPolarHBondContact O-CG2 3.5Å; S316-V320 PolarHBondContact O-N 2.74Å; S316-V320 VanDerWaalsContact O-N 3.09Å; M317-V320 PolarHBondContact O-N 2.67Å; V320-L322 PolarHBondContact O-N 3.39Å; V320-L322 VanDerWaalsContact O-N 3.12Å
321S49.1Very low62.7Low97 Ų97115.1 Ų115.168%0.67864%0.643SS**THydrogen-bonded Turntrans-65.4-6.8169.862.80000114.6N318 N319N318-S321 PolarHBondContact O-OG 2.92Å; N319-S321 PolarHBondContact O-N 3.02Å
322L48.5Very low60.4Low142 Ų142117.2 Ų117.274%0.74365%0.652SS**SBendtrans-122.1114.9173.3-60.7174.4000110.4N319 V320N319-L322 PolarHBondContact O-N 2.62Å; V320-L322 PolarHBondContact O-N 3.39Å; V320-L322 VanDerWaalsContact O-N 3.12Å
323F41Very low58Low196 Ų196122 Ų12286%0.8667%0.667SS**  trans-48.4146.3175.2-45.7-99.2000112.5
324T49.4Very low55.5Low127 Ų127126.2 Ų126.278%0.77970%0.697SS**  cis-138.7-157.321.958.30000112.6
325P37.4Very low52.9Low108 Ų108127.5 Ų127.570%0.70171%0.713SS**  trans-89.2158.7-134.740.3-25.9000115.9
326V47.5Very low50.1Low125 Ų125128.3 Ų128.376%0.75873%0.728SS**  trans-112104.7169-179.10000109.4L329V326-L329 HydrophobicContact CG1-CB 4.33Å
327E50.2Low47.8Very low183 Ų183132.6 Ų132.686%0.85575%0.745SS**  trans-127.510.2177.5-158.2157.4-145.900112.1
328E46.9Very low45.4Very low175 Ų175134.8 Ų134.882%0.81876%0.764SS**SBendtrans-125.515.6-167.2-153171.9-171.700114.2
329L49.7Very low43.3Very low162 Ų162132.9 Ų132.985%0.84877%0.765SS**SBendtrans-119.910.1178.2-141.675.6000114.4V326V326-L329 HydrophobicContact CG1-CB 4.33Å
330A43.3Very low41.9Very low99 Ų99134.5 Ų134.582%0.81878%0.783SS**SBendtrans-1012.4-178.500000114.2
331S44Very low40.9Very low97 Ų97133 Ų13368%0.67878%0.778SS**SBendtrans-114.518.7-167.649.60000114.5
332K42.1Very low40.1Very low191 Ų191136.3 Ų136.383%0.8378%0.783SS**SBendtrans-138.973173.2-72.5-173.5177.5178.10112.1
333I40.1Very low39.5Very low164 Ų164134.4 Ų134.484%0.84178%0.781SS**SBendtrans-175.787.4148.6-90145.1000107.2
334T37.5Very low39.2Very low136 Ų136134.3 Ų134.383%0.83478%0.78SS**  trans173.4151.3167.9150000105.7
335P32.9Very low38.5Very low117 Ų117136.3 Ų136.376%0.7679%0.785SS**  cis-129179.735.142.2-28000115.8
336A29.2Very low38.4Very low93 Ų93140.4 Ų140.477%0.76979%0.792SS**  trans66.8151.9173.400000115.4
337I34.1Very low38.1Very low147 Ų147140.7 Ų140.775%0.75479%0.794SS**  cis-124.5127.28-63.4165000110.1
338T32Very low37.3Very low151 Ų151138.3 Ų138.393%0.92679%0.787SS**  trans-104.972.5167.951.40000111
339A31.9Very low36.9Very low83 Ų83136.7 Ų136.769%0.68678%0.783SS**  trans-178.193.5164.400000111.9
340S36.8Very low36.4Very low121 Ų121132.8 Ų132.885%0.84677%0.774SS**  trans-175.5132.8130.9-1650000109.7
341S34.2Very low36.3Very low80 Ų80136.7 Ų136.756%0.55978%0.775SS**  trans-77.7174.8157.6440000110.4
342H32.9Very low36.1Very low166 Ų166139.5 Ų139.577%0.76978%0.782SS**  trans75.5109168.5-45.9-72.6000119.2
343S36.8Very low36.1Very low101 Ų101137.5 Ų137.571%0.70678%0.778SS**  trans90.6130.8132.483.40000120.9
344K33.6Very low36.2Very low195 Ų195135 Ų13585%0.84878%0.776SS**  trans56.484.3143.7-61.6169.5-176.5176.40118.2
345L35Very low36.4Very low169 Ų169135.9 Ų135.989%0.88578%0.775SS**  trans-125.6102.7142.3-76.5178.1000110.4
346K35.3Very low36.8Very low193 Ų193142 Ų14284%0.83978%0.783SS**  trans-78.4126.5158.3-73.7-177.1174.7-175.80107.5
347V41.5Very low37.1Very low131 Ų131142.2 Ų142.279%0.79479%0.785SS**  trans-131.6130162.1-174.20000106.9
348N34.5Very low37.3Very low134 Ų134141.6 Ų141.672%0.71779%0.788SS**  trans-86.8120.8-154.8-54.9-53.7000112.9A350N348-A350 HydrophobicContact CB-CB 4.42Å; N348-A350 PolarHBondContact O-N 3.45Å
349L37.1Very low37.6Very low141 Ų141140.8 Ų140.874%0.73878%0.782SS**  trans-82.623.5170-168.251.7000112.5
350A38.7Very low38.1Very low80 Ų80143 Ų14366%0.66179%0.787SS**  trans-105.826.6-166.100000114.1N348N348-A350 HydrophobicContact CB-CB 4.42Å; N348-A350 PolarHBondContact O-N 3.45Å
351H41.9Very low38.4Very low180 Ų180142.8 Ų142.883%0.83379%0.785SS**SBendtrans-140.319.2-172.5-122.272.8000114.6
352L40.6Very low38.5Very low157 Ų157144.2 Ų144.282%0.82280%0.796SS**SBendtrans-136.218-177.9-74171.9000113.5
353I42.5Very low38.8Very low148 Ų148143.5 Ų143.576%0.75979%0.792SS**SBendtrans-117.4-28.6-176.7-62.5179.7000112.2D355I353-D355 PolarHBondContact O-N 2.99Å
354S41.8Very low39Very low112 Ų112145.6 Ų145.678%0.78379%0.791SS**SBendtrans-89.794.7168-590000110.3
355D41.6Very low39.4Very low155 Ų155143.3 Ų143.383%0.82978%0.783SS**SBendtrans169.471.4140.1-89.6-9000112I353I353-D355 PolarHBondContact O-N 2.99Å
356R40.9Very low39.4Very low246 Ų246141.4 Ų141.493%0.92878%0.779SS**  trans-172.661.3150.9-108.1161.6-177.3165.42.9113.4
357A35.9Very low39.7Very low97 Ų97136.6 Ų136.680%0.80278%0.776SS**  trans-79.1134.3153.900000108.7
358V38.6Very low39.9Very low134 Ų134136.5 Ų136.581%0.81278%0.777SS**  trans-87.3132.8176.2175.30000109
359V37.5Very low40.1Very low133 Ų133135.9 Ų135.981%0.80678%0.783SS**  trans-111.5136.2171.6179.20000108.8
360V42.5Very low40.3Very low129 Ų129133.1 Ų133.178%0.78278%0.781SS**PPolyproline II helixtrans-92.6153.6-179.5175.50000110.2
361S42.9Very low40.5Very low117 Ų117133.8 Ų133.882%0.81879%0.787SS**PPolyproline II helixtrans-65.5159-173.6-53.60000115.6
362S37.5Very low40.7Very low111 Ų111130.4 Ų130.478%0.77678%0.781SS**PPolyproline II helixtrans-68.4165179.7-36.90000115.3
363E37.5Very low40.7Very low150 Ų150128.4 Ų128.470%0.70178%0.775SS**  -174139.7104.9-103.2-167.580.900115.4
364Q41Very low40.3Very low145 Ų145128.6 Ų128.668%0.67878%0.777SS**  trans64.2154.5156.8-58.4-172.643.200118.3
365Q42.3Very low40Very low147 Ų147127.6 Ų127.669%0.68778%0.776SS**  cis-155.8159.75.2-142.3179.368.700113.2
366T35.3Very low39.7Very low129 Ų129126.1 Ų126.179%0.79177%0.773SS**  trans67.8151.8168.6750000117.2
367A41.9Very low39.4Very low93 Ų93119.3 Ų119.377%0.76976%0.759SS**  cis-143.1167.10.300000111
368P45.7Very low39.3Very low128 Ų128125.6 Ų125.683%0.83176%0.762SS**  trans-113168-163.441.3-34.6000116.5
369S38.1Very low39Very low121 Ų121123.3 Ų123.385%0.84676%0.757SS**  -174.9158.4126-158.60000114.4
370A41.6Very low39Very low83 Ų83124.8 Ų124.869%0.68676%0.759SS**  trans54.383.5154.700000122
371A43.8Very low38.6Very low95 Ų95123.8 Ų123.879%0.78576%0.757SS**  47.6158.995.900000121.6
372P44.8Very low38.5Very low109 Ų109125 Ų12571%0.70876%0.76SS**  cis-147.8-161.4-35.839.5-18.5000115.1
373V41.9Very low38.4Very low114 Ų114125.3 Ų125.369%0.69176%0.762SS**  trans72.9102.4153.4-630000123.1
374D34.1Very low38.5Very low152 Ų152123 Ų12381%0.81377%0.768SS**  74.1159.9115.2-65.4-39.5000124.8
375A35.1Very low38.2Very low92 Ų92122.9 Ų122.976%0.7677%0.773SS**  trans85144.6150.500000120.4
376T35.4Very low38.2Very low124 Ų124124.7 Ų124.776%0.76178%0.781SS**  cis-164.8158.4-28.1-162.10000111.6
377T33.7Very low38.3Very low103 Ų103122.3 Ų122.363%0.63278%0.781SS**  trans68.1110.3148.9-64.10000122.2
378R35.3Very low38.2Very low228 Ų228123.1 Ų123.186%0.8678%0.782SS**  39.4132.1125.1-54.2172.5161.3169.6-6.8122.3
379A30.6Very low38Very low87 Ų87123.1 Ų123.172%0.71978%0.78SS**  67.7146.1127.200000121.6
380I38.4Very low38.1Very low163 Ų163124.9 Ų124.984%0.83677%0.774SS**  -157.2147.3108.7-96.8154.4000108.9
381S34.9Very low38.2Very low108 Ų108125.2 Ų125.276%0.75577%0.768SS**  trans-108149.3177.5-48.10000110.5
382T40.5Very low38.4Very low144 Ų144129.8 Ų129.888%0.88377%0.77SS**  trans-145.7141.9163.912.20000111.5
383S35.4Very low38.5Very low116 Ų116129.8 Ų129.881%0.81177%0.77SS**  trans-135.5142.1-169.8-51.40000111.2
384A39.2Very low38.3Very low101 Ų101131.8 Ų131.884%0.83578%0.775SS**  trans-165.7166.8158.200000111.3
385N35.2Very low38.7Very low143 Ų143130.8 Ų130.877%0.76578%0.775SS**  -158.9-175.8-74-135.9-21.5000108.2
386H41.4Very low38.9Very low186 Ų186131.3 Ų131.386%0.86177%0.773SS**  trans70.1139.7-178.7-37.4-84.6000113.8
387G36.7Very low39.1Very low78 Ų78129.4 Ų129.480%0.80477%0.769SS**  cis150.7148.1-300000109.6
388S40.2Very low39.4Very low110 Ų110130.9 Ų130.977%0.76978%0.778SS**  cis-163.8-171.5-5.1-166.60000109.7
389T40.9Very low40Very low129 Ų129125 Ų12579%0.79177%0.77SS**  trans67.1145.4170.361.60000118
390E40.9Very low40.1Very low158 Ų158130.2 Ų130.274%0.73878%0.776SS**  cis-148.5145.8-0.7-131.9-153.9107.500115.7
391T44Very low40.1Very low89 Ų89126.3 Ų126.355%0.54676%0.763SS.*  trans44.8109147.147.30000126.2
392K47Very low40.3Very low191 Ų191128 Ų12883%0.8377%0.769SS**  116.7145.6117.9-75.8163.7-174.4163.50119.9
393P48.8Very low40.2Very low109 Ų109124.1 Ų124.171%0.70876%0.757SS**  trans-137.9-137.8-148.637.5-11.8000113.8
394I36.7Very low40.6Very low157 Ų157126.3 Ų126.381%0.80576%0.755SS**  trans80.9134.6169-67.9167.5000114.2
395V43.4Very low40.5Very low131 Ų131128 Ų12879%0.79475%0.745SS**  cis-166.7167.3-5.3124.10000106.9
396S37.7Very low40.6Very low103 Ų103131.2 Ų131.272%0.7275%0.747SS**  cis179.7-169.2-35.2-167.40000108.1
397A41Very low40.7Very low84 Ų84130.8 Ų130.869%0.69475%0.747SS**  trans69.3117.317200000117.3
398V39.2Very low41.5Very low133 Ų133132.4 Ų132.481%0.80674%0.743SS**  cis107.9162.920.5-48.60000113
399P47.3Very low41.6Very low106 Ų106132.3 Ų132.369%0.68874%0.74SS**  -137.9-141-114.234.3-6.4000113.8
400F33.5Very low41.5Very low195 Ų195131.8 Ų131.886%0.85574%0.742SS**  trans74.6154.4168.9-91.6-131.6000117.1
401S38.5Very low41.4Very low81 Ų81129 Ų12957%0.56674%0.74SS**  cis-173.6172.8-24.9-103.60000110.7
402V39.4Very low41.1Very low144 Ų144131.5 Ų131.587%0.87375%0.747SS**  trans73.2137.3169-163.10000115.8
403G37.2Very low40.9Very low62 Ų62131.7 Ų131.764%0.63974%0.744SS**  cis164.2166.3-12.800000115.2
404Q44.7Very low40.8Very low163 Ų163132 Ų13276%0.76275%0.746SS**  trans72.5112165.8-52.8-166.28.500118.2
405Q37.2Very low40.9Very low136 Ų136129.9 Ų129.964%0.63675%0.745SS**  93.2142.7102.5-75.1-172.270.900113
406R37.3Very low40.8Very low210 Ų210129.8 Ų129.879%0.79275%0.745SS**  cis-154.5115.914.1-136.2177.2-158.8-162.20.3112.9
407M43.1Very low40.9Very low178 Ų178129 Ų12988%0.87774%0.744SS**  trans44.1157.4143-59.7-55161.800125.4
408P52.7Low40.8Very low111 Ų111130.6 Ų130.672%0.72175%0.748SS**  trans-111.1-154.3-171.240.7-22.8000112.4
409P43.2Very low40.5Very low108 Ų108128.8 Ų128.870%0.70175%0.747SS**  -158.1171.471.943.6-22.3000119.7
410S39.6Very low40.2Very low119 Ų119131 Ų13183%0.83275%0.752SS**  trans57.6162.9143.1-67.20000123.8
411S37.7Very low40.4Very low99 Ų99127.9 Ų127.969%0.69275%0.751SS**  cis-175.7155.8-34.3-165.10000111.7
412M37.4Very low40.8Very low142 Ų142129.8 Ų129.870%0.776%0.759SS**  trans66.1151.8168.3-37.4-172.675.200116.5
413Y43.8Very low41Very low194 Ų194129.8 Ų129.876%0.76176%0.755SS**  cis-143.7174.219.3-101.3-89.6000112.4
414P45.4Very low40.9Very low115 Ų115132.2 Ų132.275%0.74776%0.759SS**  trans-123161.9-174.240.3-26.6000117.3
415S38.8Very low40.4Very low113 Ų113134.9 Ų134.979%0.7976%0.764SS**  trans-161.5124.5161.2-159.40000117.7
416V41.4Very low40.5Very low130 Ų130136.3 Ų136.379%0.78878%0.775SS**  trans45.2105.5136.8-173.40000123.6
417A40Very low40.4Very low86 Ų86131.2 Ų131.271%0.71178%0.778SS**  trans68.1177131.400000121.6
418P40.3Very low40.2Very low118 Ų118130.4 Ų130.477%0.76678%0.777SS**  -134.5165.8-6639.4-25.7000117.1
419A32.2Very low39.3Very low95 Ų95134.8 Ų134.879%0.78579%0.785SS**  trans66.1120.5149.500000121.9
420L40.7Very low39Very low152 Ų152134.6 Ų134.680%0.79679%0.787SS**  trans-167.7123.1141.6-107.6173.3000110.6T422L420-T422 PolarHBondContact O-N 2.68Å; L420-T422 VanDerWaalsContact O-N 3.12Å
421P38.6Very low39.3Very low130 Ų130138.4 Ų138.484%0.84479%0.791SS**  trans-85.180178.133.1-33.6000111.8
422T46Very low39.2Very low120 Ų120142.1 Ų142.174%0.73680%0.799SS**  trans-74.6138-176.3-54.80000112.9L420L420-T422 PolarHBondContact O-N 2.68Å; L420-T422 VanDerWaalsContact O-N 3.12Å
423N42.9Very low39.4Very low145 Ų145140.8 Ų140.878%0.77580%0.802SS**  trans-71124-173.6-172.110.3000112.2Y425N423-Y425 PolarHBondContact O-N 2.98Å; N423-Y425 VanDerWaalsContact O-N 3.09Å
424P36.7Very low39.1Very low113 Ų113141.9 Ų141.973%0.73481%0.806SS**  trans-83.390.3-167.332.3-36.9000113.9
425Y34.2Very low38.9Very low219 Ų219141.4 Ų141.486%0.85981%0.806SS**  trans-156.7138154.6-131.5-97.2000110.1N423N423-Y425 PolarHBondContact O-N 2.98Å; N423-Y425 VanDerWaalsContact O-N 3.09Å
426L38.9Very low38.9Very low165 Ų165142.9 Ų142.986%0.86480%0.801SS**SBendtrans75.381.2-177.3-53.6171.5000117.2
427A34.5Very low38.9Very low103 Ų103143.6 Ų143.685%0.85180%0.796SS**  trans-173.598.113900000111.6
428N38.8Very low38.9Very low161 Ų161145.1 Ų145.186%0.86179%0.793SS**  trans-162.7121.4145.9-150.4-15.3000110.2
429F33.5Very low38.8Very low203 Ų203149.2 Ų149.289%0.8979%0.794SS**  trans-159.393.5-177.5-128.8-64.4000110.2
430S38Very low39.1Very low105 Ų105150.1 Ų150.173%0.73479%0.792SS**  trans171.5116.5148.9-83.70000111.8
431Q46Very low39.7Very low198 Ų198148.6 Ų148.693%0.92579%0.792SS**  177.8149122.3-93.6167.432.500109.6
432M36.2Very low39.5Very low177 Ų177150.4 Ų150.487%0.87279%0.791SS**  trans-151.9148.8-176.5-94-77.6178.200107.6
433P41.2Very low39Very low115 Ų115152.1 Ų152.175%0.74779%0.79SS**  -147.1162.7107.235.1-17.8000117
434Y35.9Very low39Very low216 Ų216151.7 Ų151.785%0.84779%0.787SS**  trans-20.1151.8164.1-63.1-91.1000118.7
435S42Very low38.9Very low106 Ų106149.4 Ų149.474%0.74177%0.772SS**  -177.5149.869.542.40000117.8
436M38.6Very low39.1Very low143 Ų143141.8 Ų141.870%0.70475%0.754SS**  trans64.2123.8150-59.1-72.692.100124.9
437Q42.4Very low39.1Very low145 Ų145138.1 Ų138.168%0.67874%0.739SS**  trans57.5151.8138.5-8771-46.600121.1
438N39.7Very low39.3Very low119 Ų119137.8 Ų137.864%0.63674%0.736SS**  cis-161168.818.5-141.5-14.3000114.9
439Y37Very low39.2Very low203 Ų203141 Ų14180%0.79674%0.737SS**  trans78.6159.9154.3-76.9-47.6000123.5
440P39.7Very low39.6Very low114 Ų114137 Ų13774%0.7473%0.732SS**  trans-131.1-177-132.745.8-28.9000118.1
441P52.8Low39.5Very low121 Ų121143.7 Ų143.779%0.78674%0.741SS**  trans-122.4164-166.542.5-31.6000118.5
442M34.8Very low38.9Very low168 Ų168138 Ų13883%0.82874%0.736SS**  trans-172.7162.6159-92.8-45.4-119.400108.8
443H36.3Very low39Very low156 Ų156134.2 Ų134.272%0.72273%0.733SS**  cis-157.9-164.5-22.2-165.1-109.6000108.7
444L41.6Very low38.7Very low136 Ų136140.1 Ų140.171%0.71274%0.742SS**  trans-144.5165.5175.2-138.483.5000113.6
445P35.7Very low38.6Very low65 Ų65133.8 Ų133.842%0.42274%0.742SS.*  trans-140.8-144.1136.133-12.2000114.9T559 E560P445-T559 VanDerWaalsContact CB-O 3.22Å; P445-T559 WeakPolarHBondContact CB-O 2.89Å; P445-T559 WeakPolarHBondContact CG-O 3.37Å; P445-E560 CarbonylContact C-O 3.14Å; P445-E560 HydrophobicContact CG-CB 4.35Å; P445-E560 HydrophobicContact CG-CG 4.37Å; P445-E560 VanDerWaalsContact O-O 3.12Å
446A36.5Very low38.2Very low58 Ų58132 Ų13248%0.47974%0.741SS.*  trans-158.1172.2-17100000118.2T559 E560A446-T559 PolarHBondContact N-O 2.89Å; A446-T559 CarbonylContact O-C 2.84Å; A446-T559 WeakPolarHBondContact O-CA 3.43Å; A446-E560 WeakPolarHBondContact CA-O 3.49Å; A446-E560 PolarHBondContact N-O 3.44Å; A446-E560 VanDerWaalsContact N-O 3.08Å; A446-E560 PolarHBondContact O-N 3.06Å
447T39.3Very low37.8Very low89 Ų89135 Ų13555%0.54675%0.75SS.*  trans101.5150.8174.271.80000117.1S561T447-S561 PolarHBondContact O-N 2.94Å
448A39.6Very low37.3Very low95 Ų95135.1 Ų135.179%0.78576%0.755SS**  cis-151.1-176.56.400000114.9
449Y36.4Very low37.1Very low228 Ų228136.9 Ų136.989%0.89476%0.762SS**  trans-90.7173.7-179.1-84.3-83.1000113.6
450P41.5Very low36.9Very low120 Ų120132 Ų13278%0.77976%0.758SS**  cis-154.7-157.339.746.4-22.1000119.6
451R37.3Very low36.7Very low245 Ų245135.3 Ų135.393%0.92576%0.763SS**  trans-55.6164.1177.9-50.5165.7-179.9173.6-1.1114.5
452G32.7Very low35.9Very low79 Ų79137.3 Ų137.381%0.81477%0.766SS**  cis140125.9-6.600000115.4
453A38.4Very low35.8Very low97 Ų97136 Ų13680%0.80277%0.767SS**  trans-152.9142.3169.800000109.1
454Y35.3Very low35.5Very low239 Ų239132.1 Ų132.194%0.93777%0.77SS**  cis83.188.748.3-92.2-72.8000116.4
455G32.5Very low35.1Very low83 Ų83129 Ų12986%0.85677%0.77SS**  trans83.4144.116700000115.3
456G33.6Very low34.8Very low69 Ų69133.8 Ų133.871%0.71179%0.789SS**  cis-174.9177.6-3.600000112
457F30.9Very low34.6Very low207 Ų207141.5 Ų141.591%0.90881%0.807SS**  trans-22.7148.6174.3-53.6-90.1000117.5
458N32.7Very low34.5Very low147 Ų147142.6 Ų142.679%0.78682%0.816SS**  cis-162.4178.549.9-156.74.3000115
459M34Very low34.3Very low155 Ų155144.2 Ų144.276%0.76482%0.821SS**  trans-63.4168.3171.3-59.1-165.97000112.6
460S33.2Very low34Very low102 Ų102136.8 Ų136.871%0.71382%0.815SS**  cis-165.1149.636.9-55.30000114.4
461Q36.3Very low33.5Very low182 Ų182135.4 Ų135.485%0.8581%0.813SS**  trans-174.9165.6139.1-103.4168.62400109.8
462L35.3Very low33.4Very low164 Ų164129.7 Ų129.786%0.85981%0.809SS**  trans6298-163.7-61.4160.7000111.9
463V32.7Very low33.7Very low140 Ų140134.5 Ų134.585%0.84881%0.811SS**  cis69.2114.628.2-167.10000113.8
464G30.1Very low34.4Very low75 Ų75133.3 Ų133.377%0.77379%0.793SS**  trans120.7104.3162.200000117.2
465G33.2Very low35.4Very low70 Ų70126.1 Ų126.172%0.72278%0.776SS**  trans75.3127.5165.900000116
466M29.8Very low36.3Very low166 Ų166127.8 Ų127.882%0.81876%0.761SS**  cis85.4106.925.9-57.2170.256.100116.2
467Y30.8Very low37.6Very low219 Ų219128 Ų12886%0.85976%0.757SS**  trans65.3164162.1-68.5-71.5000118.9
468P38.4Very low39.1Very low113 Ų113124.7 Ų124.773%0.73474%0.739SS**  cis-122.1-175.8-1434.1-16.5000113.7G470P468-G470 PolarHBondContact O-N 3.16Å
469S35.1Very low40.4Very low128 Ų128122 Ų12290%0.89572%0.723SS**  trans-56130.3159.3-56.70000110.9
470G29.4Very low41.8Very low73 Ų73121.5 Ų121.575%0.75371%0.712SS**  trans-145.4140.1-179.100000112.7P468P468-G470 PolarHBondContact O-N 3.16Å
471A31.2Very low42.7Very low90 Ų90123.3 Ų123.374%0.74471%0.708SS**  trans-74.3150.8-17700000112.5Q473A471-Q473 VanDerWaalsContact C-N 3.26Å; A471-Q473 PolarHBondContact O-N 3.41Å
472C36.6Very low43.6Very low126 Ų126118.7 Ų118.785%0.85169%0.686SS**  trans-70.283166.7-57.10000109.8V474C472-V474 PolarHBondContact O-N 2.82Å
473Q38.8Very low44.6Very low180 Ų180114.9 Ų114.984%0.84167%0.666SS**  trans-65.195175.6-75.6-176.4-14.600110.3A471A471-Q473 VanDerWaalsContact C-N 3.26Å; A471-Q473 PolarHBondContact O-N 3.41Å
474V51.5Low45.7Very low72 Ų72116.2 Ų116.244%0.43666%0.66SS.*  trans-59.4125.9161.3-179.30000106.8C472 E476 Y478 M479C472-V474 PolarHBondContact O-N 2.82Å; V474-E476 PolarHBondContact O-N 2.87Å; V474-Y478 HydrophobicContact CG1-CD1 3.38Å; V474-Y478 HydrophobicContact CG1-CE1 4.08Å; V474-Y478 HydrophobicContact CG1-CG 4.07Å; V474-M479 HydrophobicContact CB-CG 4.04Å; V474-M479 HydrophobicContact CB-SD 4.08Å; V474-M479 HydrophobicContact CG1-CG 3.88Å; V474-M479 HydrophobicContact CG1-SD 3.89Å
475P58Low46.8Very low88 Ų88115.7 Ų115.757%0.57164%0.64SS**  trans-52.1135.4-174.1-30.235.7000112.2A477 Y478 M479P475-A477 PolarHBondContact O-N 3.47Å; P475-A477 VanDerWaalsContact O-N 3.12Å; P475-Y478 WeakPolarHBondContact O-CA 3.35Å; P475-Y478 VanDerWaalsContact O-CB 3.32Å; P475-Y478 WeakPolarHBondContact O-CB 3.23Å; P475-Y478 PolarHBondContact O-N 3.01Å; P475-M479 PolarHBondContact O-N 3.12Å
476E51.6Low47.8Very low117 Ų117116.1 Ų116.155%0.54763%0.628SS.*Hα-helixtrans-61.2-30.3-172.2-154.9-167.5-172.800112.1V474 M479 R480V474-E476 PolarHBondContact O-N 2.87Å; E476-M479 PolarHBondContact O-N 3.41Å; E476-R480 WeakPolarHBondContact O-CB 3.4Å; E476-R480 WeakPolarHBondContact O-CG 3.49Å; E476-R480 PolarHBondContact O-N 3.15Å; E476-R480 IonicContact OE1-CZ 2.63Å; E476-R480 IonicContact OE1-NE 3.63Å; E476-R480 IonicContact OE1-NH1 3.45Å; E476-R480 IonicContact OE1-NH2 2.69Å; E476-R480 PolarHBondContact OE1-NH2 3.48Å; E476-R480 IonicContact OE2-CZ 2.77Å; E476-R480 IonicContact OE2-NH1 2.71Å; E476-R480 PolarHBondContact OE2-NH1 3.47Å; E476-R480 IonicContact OE2-NH2 3.12Å; E476-R480 PolarHBondContact OE2-NH2 2.91Å; E476-R480 VanDerWaalsContact OE2-NH2 3.14Å
477A59.6Low48.5Very low75 Ų75113.7 Ų113.762%0.6262%0.617SS**Hα-helixtrans-62.6-38.8170.600000113.2P475 F481P475-A477 PolarHBondContact O-N 3.47Å; P475-A477 VanDerWaalsContact O-N 3.12Å; A477-F481 VanDerWaalsContact O-CB 3.23Å; A477-F481 WeakPolarHBondContact O-CB 3.41Å; A477-F481 PolarHBondContact O-N 2.85Å
478Y63.7Low49.6Very low137 Ų137111.2 Ų111.254%0.53761%0.613SS.*Hα-helixtrans-69.1-41.3175.4-174.4-84000111V474 P475 F481 H482V474-Y478 HydrophobicContact CG1-CD1 3.38Å; V474-Y478 HydrophobicContact CG1-CE1 4.08Å; V474-Y478 HydrophobicContact CG1-CG 4.07Å; P475-Y478 WeakPolarHBondContact O-CA 3.35Å; P475-Y478 VanDerWaalsContact O-CB 3.32Å; P475-Y478 WeakPolarHBondContact O-CB 3.23Å; P475-Y478 PolarHBondContact O-N 3.01Å; Y478-F481 PolarHBondContact O-N 3.18Å; Y478-H482 AromaticContact CE1-CD2 3.74Å; Y478-H482 AromaticContact CZ-CD2 3.92Å; Y478-H482 PolarHBondContact O-N 3.25Å
479M59Low50.3Low91 Ų91109.4 Ų109.445%0.44860%0.595SS.*Hα-helixtrans-62.4-49.7173.2-69.4-65.2-74.200111.5V474 P475 E476 F481 H482 L483V474-M479 HydrophobicContact CB-CG 4.04Å; V474-M479 HydrophobicContact CB-SD 4.08Å; V474-M479 HydrophobicContact CG1-CG 3.88Å; V474-M479 HydrophobicContact CG1-SD 3.89Å; P475-M479 PolarHBondContact O-N 3.12Å; E476-M479 PolarHBondContact O-N 3.41Å; M479-F481 VanDerWaalsContact C-N 3.34Å; M479-F481 PolarHBondContact O-N 3.25Å; M479-H482 PolarHBondContact O-N 3Å; M479-L483 WeakPolarHBondContact O-CB 3.28Å; M479-L483 WeakPolarHBondContact O-CD1 3.45Å; M479-L483 PolarHBondContact O-N 3.34Å
480R62.7Low51.1Low143 Ų143107.9 Ų107.954%0.5459%0.585SS.*Hα-helixtrans-60.7-39.4176-76.1-175.7179.1120.95.5112.6E476 L483 K484E476-R480 WeakPolarHBondContact O-CB 3.4Å; E476-R480 WeakPolarHBondContact O-CG 3.49Å; E476-R480 PolarHBondContact O-N 3.15Å; E476-R480 IonicContact OE1-CZ 2.63Å; E476-R480 IonicContact OE1-NE 3.63Å; E476-R480 IonicContact OE1-NH1 3.45Å; E476-R480 IonicContact OE1-NH2 2.69Å; E476-R480 PolarHBondContact OE1-NH2 3.48Å; E476-R480 IonicContact OE2-CZ 2.77Å; E476-R480 IonicContact OE2-NH1 2.71Å; E476-R480 PolarHBondContact OE2-NH1 3.47Å; E476-R480 IonicContact OE2-NH2 3.12Å; E476-R480 PolarHBondContact OE2-NH2 2.91Å; E476-R480 VanDerWaalsContact OE2-NH2 3.14Å; R480-L483 PolarHBondContact O-N 3.12Å; R480-K484 WeakPolarHBondContact O-CB 3.26Å; R480-K484 PolarHBondContact O-N 3.04Å
481F52.8Low52.5Low140 Ų140108.6 Ų108.661%0.61458%0.583SS**Hα-helixtrans-66.5-39.7176.2-171.4-96.4000111.9A477 Y478 M479 N485A477-F481 VanDerWaalsContact O-CB 3.23Å; A477-F481 WeakPolarHBondContact O-CB 3.41Å; A477-F481 PolarHBondContact O-N 2.85Å; Y478-F481 PolarHBondContact O-N 3.18Å; M479-F481 VanDerWaalsContact C-N 3.34Å; M479-F481 PolarHBondContact O-N 3.25Å; F481-N485 VanDerWaalsContact CE1-ND2 3.3Å; F481-N485 WeakPolarHBondContact CE1-ND2 3.44Å; F481-N485 WeakPolarHBondContact CZ-ND2 3.49Å; F481-N485 WeakPolarHBondContact O-CB 3.46Å; F481-N485 PolarHBondContact O-N 3.48Å; F481-N485 PolarHBondContact O-ND2 3.12Å
482H56.2Low53.9Low86 Ų86111.1 Ų111.140%0.39858%0.579SS.*Hα-helixtrans-69.1-42.8173.3-106.9-79.5000112.5Y478 M479 N485 T486Y478-H482 AromaticContact CE1-CD2 3.74Å; Y478-H482 AromaticContact CZ-CD2 3.92Å; Y478-H482 PolarHBondContact O-N 3.25Å; M479-H482 PolarHBondContact O-N 3Å; H482-N485 CarbonylContact O-C 3.5Å; H482-N485 PolarHBondContact O-N 3.5Å; H482-T486 PolarHBondContact O-N 3.21Å; H482-T486 PolarHBondContact O-OG1 2.79Å
483L55.2Low55.1Low84 Ų84106.3 Ų106.344%0.4455%0.547SS..Hα-helixtrans-63.6-46.6178.8-98.167.6000112.3M479 R480 N485 T486 M487M479-L483 WeakPolarHBondContact O-CB 3.28Å; M479-L483 WeakPolarHBondContact O-CD1 3.45Å; M479-L483 PolarHBondContact O-N 3.34Å; R480-L483 PolarHBondContact O-N 3.12Å; L483-N485 VanDerWaalsContact C-N 3.29Å; L483-N485 PolarHBondContact O-N 3.28Å; L483-T486 WeakPolarHBondContact CA-OG1 3.32Å; L483-T486 PolarHBondContact O-N 3.27Å; L483-T486 VanDerWaalsContact O-N 3.12Å; L483-T486 PolarHBondContact O-OG1 3.32Å; L483-M487 WeakPolarHBondContact O-CB 3.3Å; L483-M487 WeakPolarHBondContact O-CG 3.33Å; L483-M487 PolarHBondContact O-N 3.36Å
484K55Low56.5Low167 Ų167104.6 Ų104.673%0.72655%0.549SS*.Hα-helixtrans-57.7-43.2172.9-82.5-168.7170.5-1730111.3R480 T486 M487 H488R480-K484 WeakPolarHBondContact O-CB 3.26Å; R480-K484 PolarHBondContact O-N 3.04Å; K484-T486 VanDerWaalsContact C-N 3.27Å; K484-T486 PolarHBondContact O-N 3.13Å; K484-M487 PolarHBondContact O-N 2.88Å; K484-H488 PolarHBondContact O-N 3.01Å; K484-H488 VanDerWaalsContact O-N 3.13Å
485N54.1Low57.8Low65 Ų65104.9 Ų104.935%0.34855%0.551SS.*Hα-helixtrans-74.7-5.7178.5-78.8-60.9000115.4F481 H482 L483 M489F481-N485 VanDerWaalsContact CE1-ND2 3.3Å; F481-N485 WeakPolarHBondContact CE1-ND2 3.44Å; F481-N485 WeakPolarHBondContact CZ-ND2 3.49Å; F481-N485 WeakPolarHBondContact O-CB 3.46Å; F481-N485 PolarHBondContact O-N 3.48Å; F481-N485 PolarHBondContact O-ND2 3.12Å; H482-N485 CarbonylContact O-C 3.5Å; H482-N485 PolarHBondContact O-N 3.5Å; L483-N485 VanDerWaalsContact C-N 3.29Å; L483-N485 PolarHBondContact O-N 3.28Å; N485-M489 WeakPolarHBondContact O-CG 3.32Å
486T54.6Low58.6Low78 Ų78109.2 Ų109.248%0.47956%0.556SS.*Hα-helixtrans-102.8-37168.348.90000112.8H482 L483 K484 H488 M489H482-T486 PolarHBondContact O-N 3.21Å; H482-T486 PolarHBondContact O-OG1 2.79Å; L483-T486 WeakPolarHBondContact CA-OG1 3.32Å; L483-T486 PolarHBondContact O-N 3.27Å; L483-T486 VanDerWaalsContact O-N 3.12Å; L483-T486 PolarHBondContact O-OG1 3.32Å; K484-T486 VanDerWaalsContact C-N 3.27Å; K484-T486 PolarHBondContact O-N 3.13Å; T486-H488 VanDerWaalsContact C-N 3.3Å; T486-H488 PolarHBondContact O-N 3.09Å; T486-M489 WeakPolarHBondContact O-CB 3.29Å; T486-M489 PolarHBondContact O-N 3.46Å; T486-M489 VanDerWaalsContact O-N 3.14Å
487M43.7Very low59.8Low116 Ų116109 Ų10957%0.57156%0.558SS**Hα-helixtrans-68-29176.8-73.5175.3164.600112.3L483 K484 M489 S490L483-M487 WeakPolarHBondContact O-CB 3.3Å; L483-M487 WeakPolarHBondContact O-CG 3.33Å; L483-M487 PolarHBondContact O-N 3.36Å; K484-M487 PolarHBondContact O-N 2.88Å; M487-M489 PolarHBondContact O-N 3.5Å; M487-S490 PolarHBondContact O-OG 2.69Å
488H55.2Low61Low167 Ų167106.3 Ų106.377%0.77354%0.538SS*.THydrogen-bonded Turntrans-77.110.4172.4-125.5-67.9000114.5K484 T486K484-H488 PolarHBondContact O-N 3.01Å; K484-H488 VanDerWaalsContact O-N 3.13Å; T486-H488 VanDerWaalsContact C-N 3.3Å; T486-H488 PolarHBondContact O-N 3.09Å
489M52.1Low61.8Low75 Ų75104.6 Ų104.637%0.36953%0.531SS..THydrogen-bonded Turntrans-123.99-174.1-57.5-86.984.900114N485 T486 M487 R509N485-M489 WeakPolarHBondContact O-CG 3.32Å; T486-M489 WeakPolarHBondContact O-CB 3.29Å; T486-M489 PolarHBondContact O-N 3.46Å; T486-M489 VanDerWaalsContact O-N 3.14Å; M487-M489 PolarHBondContact O-N 3.5Å; M489-R509 VanDerWaalsContact SD-CZ 3.5Å; M489-R509 PolarHBondContact SD-NH2 2.81Å
490S52.1Low62.8Low96 Ų96104.7 Ų104.767%0.67153%0.53SS*.  trans-95.3-1.9-17750.80000114.9M487 E492M487-S490 PolarHBondContact O-OG 2.69Å; S490-E492 PolarHBondContact O-N 3.4Å; S490-E492 VanDerWaalsContact O-N 3.13Å
491A58Low63.7Low87 Ų87102.2 Ų102.272%0.71952%0.524SS*.  trans-70.9102.9166.800000109
492E60.9Low65.2Low143 Ų14398 Ų9867%0.66851%0.506SS*.  trans-67.9135167.9-66.9-152.2136.500109.5S490 T494 W499S490-E492 PolarHBondContact O-N 3.4Å; S490-E492 VanDerWaalsContact O-N 3.13Å; E492-T494 PolarHBondContact O-N 2.89Å; E492-W499 HydrophobicContact CB-CZ2 4.38Å
493P62.9Low66.4Low25 Ų2598.3 Ų98.316%0.16251%0.51CS..  trans-68.3131.5179.924.6-30.1000111G498 W499 F502P493-G498 VanDerWaalsContact CG-C 3.45Å; P493-G498 WeakPolarHBondContact CG-O 3.35Å; P493-W499 HydrophobicContact CG-CB 4.25Å; P493-W499 HydrophobicContact CG-CD2 3.72Å; P493-W499 HydrophobicContact CG-CE3 4.27Å; P493-W499 HydrophobicContact CG-CG 3.71Å; P493-W499 HydrophobicContact CG-CZ2 4.42Å; P493-W499 PolarHBondContact O-NE1 3.12Å; P493-F502 HydrophobicContact CG-CB 4.1Å
494T68.7Low67.8Low144 Ų14497.2 Ų97.288%0.88351%0.509SS*.SBendtrans-83.1-20.3178.4500000113E492E492-T494 PolarHBondContact O-N 2.89Å
495T76.9Confident69.2Low78 Ų7894.3 Ų94.348%0.47949%0.494SS..SBendtrans-105.4154.6179.562.30000111.9D497 G498 W499T495-D497 VanDerWaalsContact C-N 3.32Å; T495-D497 PolarHBondContact O-N 3.47Å; T495-G498 PolarHBondContact O-N 3.43Å; T495-G498 PolarHBondContact OG1-N 3.04Å; T495-W499 PolarHBondContact O-N 2.86Å
496R76.2Confident70.6Confident180 Ų18096.4 Ų96.468%0.67950%0.5SS*.Hα-helixtrans-59.1-43.3179.3-172.3-166.4139.2-172.7-11.7111.7G498 W499 E500R496-G498 VanDerWaalsContact C-N 3.29Å; R496-G498 PolarHBondContact O-N 3.26Å; R496-W499 WeakPolarHBondContact O-CA 3.26Å; R496-W499 WeakPolarHBondContact O-CB 3.35Å; R496-W499 PolarHBondContact O-N 3.18Å; R496-E500 IonicContact CZ-OE1 3.18Å; R496-E500 IonicContact NE-OE1 3.29Å; R496-E500 PolarHBondContact NE-OE1 2.79Å; R496-E500 IonicContact NH2-OE1 2.97Å; R496-E500 PolarHBondContact NH2-OE1 2.9Å; R496-E500 IonicContact NH2-OE2 3.01Å; R496-E500 PolarHBondContact O-N 3Å; R496-E500 VanDerWaalsContact O-N 3.12Å
497D77.2Confident72.1Confident111 Ų11196 Ų9659%0.59450%0.495SS*.Hα-helixtrans-68.8-33.1-176.8-39-63.2000110.9T495 W499 E500 E501T495-D497 VanDerWaalsContact C-N 3.32Å; T495-D497 PolarHBondContact O-N 3.47Å; D497-W499 VanDerWaalsContact C-N 3.34Å; D497-W499 PolarHBondContact O-N 2.91Å; D497-E500 PolarHBondContact O-N 3.18Å; D497-E501 PolarHBondContact O-N 2.96Å
498G83.9Confident74.1Confident19 Ų1998 Ų9820%0.19650%0.496CS..Hα-helixtrans-62.8-35.8169.300000113.1P493 T495 R496 F502P493-G498 VanDerWaalsContact CG-C 3.45Å; P493-G498 WeakPolarHBondContact CG-O 3.35Å; T495-G498 PolarHBondContact O-N 3.43Å; T495-G498 PolarHBondContact OG1-N 3.04Å; R496-G498 VanDerWaalsContact C-N 3.29Å; R496-G498 PolarHBondContact O-N 3.26Å; G498-F502 WeakPolarHBondContact O-CB 3.3Å; G498-F502 PolarHBondContact O-N 3.22Å
499W80.6Confident75.1Confident102 Ų10295.6 Ų95.639%0.38648%0.48SS..Hα-helixtrans-65.2-41.8172.1-81.595.4000111.8E492 P493 T495 R496 D497 F502 L503E492-W499 HydrophobicContact CB-CZ2 4.38Å; P493-W499 HydrophobicContact CG-CB 4.25Å; P493-W499 HydrophobicContact CG-CD2 3.72Å; P493-W499 HydrophobicContact CG-CE3 4.27Å; P493-W499 HydrophobicContact CG-CG 3.71Å; P493-W499 HydrophobicContact CG-CZ2 4.42Å; P493-W499 PolarHBondContact O-NE1 3.12Å; T495-W499 PolarHBondContact O-N 2.86Å; R496-W499 WeakPolarHBondContact O-CA 3.26Å; R496-W499 WeakPolarHBondContact O-CB 3.35Å; R496-W499 PolarHBondContact O-N 3.18Å; D497-W499 VanDerWaalsContact C-N 3.34Å; D497-W499 PolarHBondContact O-N 2.91Å; W499-F502 HydrophobicContact CE3-CD1 4.3Å; W499-F502 HydrophobicContact CZ3-CD1 4.33Å; W499-F502 HydrophobicContact CZ3-CE1 4.32Å; W499-F502 PolarHBondContact O-N 3.34Å; W499-L503 WeakPolarHBondContact O-CB 3.11Å; W499-L503 VanDerWaalsContact O-CG 3.27Å; W499-L503 WeakPolarHBondContact O-CG 3.26Å; W499-L503 PolarHBondContact O-N 3.47Å
500E80.9Confident76.3Confident93 Ų9399.1 Ų99.144%0.43549%0.489SS..Hα-helixtrans-67.1-39.5177.5-66.9-176.3-15000111.8R496 D497 S504R496-E500 IonicContact CZ-OE1 3.18Å; R496-E500 IonicContact NE-OE1 3.29Å; R496-E500 PolarHBondContact NE-OE1 2.79Å; R496-E500 IonicContact NH2-OE1 2.97Å; R496-E500 PolarHBondContact NH2-OE1 2.9Å; R496-E500 IonicContact NH2-OE2 3.01Å; R496-E500 PolarHBondContact O-N 3Å; R496-E500 VanDerWaalsContact O-N 3.12Å; D497-E500 PolarHBondContact O-N 3.18Å; E500-S504 VanDerWaalsContact O-CB 3.29Å; E500-S504 WeakPolarHBondContact O-CB 3.28Å; E500-S504 PolarHBondContact O-N 3.3Å; E500-S504 PolarHBondContact O-OG 3.36Å
501E81.7Confident77.2Confident90 Ų90100.7 Ų100.742%0.42149%0.488SS..Hα-helixtrans-68.4-40.1173.8-150.7-136.3162.900112.1D497 S504 R505D497-E501 PolarHBondContact O-N 2.96Å; E501-S504 PolarHBondContact O-N 2.85Å; E501-R505 VanDerWaalsContact O-CB 3.31Å; E501-R505 WeakPolarHBondContact O-CB 3.27Å; E501-R505 PolarHBondContact O-N 3.43Å; E501-R505 IonicContact OE1-CZ 3.55Å; E501-R505 IonicContact OE1-NH1 3.67Å; E501-R505 PolarHBondContact OE1-NH1 2.86Å; E501-R505 IonicContact OE1-NH2 3.18Å; E501-R505 PolarHBondContact OE1-NH2 3.32Å; E501-R505 IonicContact OE2-CZ 3.14Å; E501-R505 IonicContact OE2-NH1 3.2Å; E501-R505 PolarHBondContact OE2-NH1 3.04Å; E501-R505 IonicContact OE2-NH2 3.65Å
502F83Confident78Confident53 Ų53105.3 Ų105.323%0.23249%0.486CS..Hα-helixtrans-61-47.7175.2172.7-101.7000111.7P493 G498 W499 S504 R505 K506P493-F502 HydrophobicContact CG-CB 4.1Å; G498-F502 WeakPolarHBondContact O-CB 3.3Å; G498-F502 PolarHBondContact O-N 3.22Å; W499-F502 HydrophobicContact CE3-CD1 4.3Å; W499-F502 HydrophobicContact CZ3-CD1 4.33Å; W499-F502 HydrophobicContact CZ3-CE1 4.32Å; W499-F502 PolarHBondContact O-N 3.34Å; F502-S504 PolarHBondContact O-N 2.96Å; F502-R505 PolarHBondContact O-N 3.45Å; F502-K506 HydrophobicContact CE1-CD 3.97Å; F502-K506 HydrophobicContact CZ-CD 4.18Å; F502-K506 VanDerWaalsContact O-CB 3.28Å; F502-K506 WeakPolarHBondContact O-CB 3.19Å; F502-K506 PolarHBondContact O-N 2.82Å
503L81.8Confident78.2Confident92 Ų92107.3 Ų107.348%0.48249%0.489SS..Hα-helixtrans-60.2-45.7174.7-71.1172000110.8W499 R505 K506 D507W499-L503 WeakPolarHBondContact O-CB 3.11Å; W499-L503 VanDerWaalsContact O-CG 3.27Å; W499-L503 WeakPolarHBondContact O-CG 3.26Å; W499-L503 PolarHBondContact O-N 3.47Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 2.88Å; L503-K506 CarbonylContact O-C 3.6Å; L503-K506 WeakPolarHBondContact O-CB 3.44Å; L503-K506 PolarHBondContact O-N 3.12Å; L503-K506 VanDerWaalsContact O-N 3.11Å; L503-D507 PolarHBondContact O-N 3.43Å
504S85.6Confident78.2Confident60 Ų60115.8 Ų115.842%0.4252%0.518SS..Hα-helixtrans-62.4-34.7176.8-62.20000113.5E500 E501 F502 R508E500-S504 VanDerWaalsContact O-CB 3.29Å; E500-S504 WeakPolarHBondContact O-CB 3.28Å; E500-S504 PolarHBondContact O-N 3.3Å; E500-S504 PolarHBondContact O-OG 3.36Å; E501-S504 PolarHBondContact O-N 2.85Å; F502-S504 PolarHBondContact O-N 2.96Å; S504-R508 WeakPolarHBondContact O-CB 3.43Å; S504-R508 WeakPolarHBondContact O-CG 3.31Å; S504-R508 PolarHBondContact O-N 3.04Å; S504-R508 PolarHBondContact O-NE 3.49Å
505R84.2Confident77.7Confident106 Ų106113.5 Ų113.540%0.451%0.508SS..Hα-helixtrans-73.3-35.9173.9-172.8176.4-87108.82.6111.1E501 F502 L503 R509E501-R505 VanDerWaalsContact O-CB 3.31Å; E501-R505 WeakPolarHBondContact O-CB 3.27Å; E501-R505 PolarHBondContact O-N 3.43Å; E501-R505 IonicContact OE1-CZ 3.55Å; E501-R505 IonicContact OE1-NH1 3.67Å; E501-R505 PolarHBondContact OE1-NH1 2.86Å; E501-R505 IonicContact OE1-NH2 3.18Å; E501-R505 PolarHBondContact OE1-NH2 3.32Å; E501-R505 IonicContact OE2-CZ 3.14Å; E501-R505 IonicContact OE2-NH1 3.2Å; E501-R505 PolarHBondContact OE2-NH1 3.04Å; E501-R505 IonicContact OE2-NH2 3.65Å; F502-R505 PolarHBondContact O-N 3.45Å; L503-R505 VanDerWaalsContact C-N 3.33Å; L503-R505 PolarHBondContact O-N 2.88Å; R505-R509 PolarHBondContact O-N 2.65Å; R505-R509 VanDerWaalsContact O-N 3.08Å
506K83.2Confident76.4Confident109 Ų109118.4 Ų118.447%0.47452%0.522SS..Hα-helixtrans-68.9-40.9176.3-157.7169-167.7167.50111.8F502 L503 R509 R510F502-K506 HydrophobicContact CE1-CD 3.97Å; F502-K506 HydrophobicContact CZ-CD 4.18Å; F502-K506 VanDerWaalsContact O-CB 3.28Å; F502-K506 WeakPolarHBondContact O-CB 3.19Å; F502-K506 PolarHBondContact O-N 2.82Å; L503-K506 CarbonylContact O-C 3.6Å; L503-K506 WeakPolarHBondContact O-CB 3.44Å; L503-K506 PolarHBondContact O-N 3.12Å; L503-K506 VanDerWaalsContact O-N 3.11Å; K506-R509 WeakPolarHBondContact O-CB 3.45Å; K506-R509 PolarHBondContact O-N 2.74Å; K506-R510 PolarHBondContact O-N 3.05Å
507D84.7Confident74.6Confident71 Ų71113 Ų11338%0.3851%0.512SS..Hα-helixtrans-75.3-34.1175.2-95.3-49.8000113.3L503 R509 R510 M511L503-D507 PolarHBondContact O-N 3.43Å; D507-R509 VanDerWaalsContact C-N 3.27Å; D507-R509 PolarHBondContact O-N 3.24Å; D507-R510 PolarHBondContact O-N 3.04Å; D507-R510 VanDerWaalsContact O-N 3.12Å; D507-R510 VanDerWaalsContact OD1-CD 3.32Å; D507-R510 WeakPolarHBondContact OD1-CD 3.46Å; D507-R510 IonicContact OD1-CZ 2.68Å; D507-R510 IonicContact OD1-NE 2.73Å; D507-R510 IonicContact OD1-NH1 3.18Å; D507-R510 PolarHBondContact OD1-NH1 3.32Å; D507-R510 IonicContact OD2-NH1 3.99Å; D507-R510 PolarHBondContact OD2-NH1 3.03Å; D507-R510 VanDerWaalsContact OD2-NH1 3.09Å; D507-M511 WeakPolarHBondContact O-CB 3.26Å; D507-M511 WeakPolarHBondContact O-CG 3.37Å; D507-M511 PolarHBondContact O-N 2.88Å
508R85.5Confident72.9Confident156 Ų156111.2 Ų111.259%0.58951%0.507SS*.Hα-helixtrans-59.2-36.3166.6-79.4-174.9-83.4-170.1-2.7112.2S504 R512S504-R508 WeakPolarHBondContact O-CB 3.43Å; S504-R508 WeakPolarHBondContact O-CG 3.31Å; S504-R508 PolarHBondContact O-N 3.04Å; S504-R508 PolarHBondContact O-NE 3.49Å; R508-R512 WeakPolarHBondContact O-CG 3.36Å; R508-R512 PolarHBondContact O-N 2.86Å
509R76.2Confident71Confident118 Ų118116.1 Ų116.145%0.44553%0.533SS..Hα-helixtrans-67.4-45.2169.5-76.4-177.2173-165.9-2.6112.2M489 R505 K506 D507 M511 R512 Y513M489-R509 VanDerWaalsContact SD-CZ 3.5Å; M489-R509 PolarHBondContact SD-NH2 2.81Å; R505-R509 PolarHBondContact O-N 2.65Å; R505-R509 VanDerWaalsContact O-N 3.08Å; K506-R509 WeakPolarHBondContact O-CB 3.45Å; K506-R509 PolarHBondContact O-N 2.74Å; D507-R509 VanDerWaalsContact C-N 3.27Å; D507-R509 PolarHBondContact O-N 3.24Å; R509-M511 PolarHBondContact O-N 3.3Å; R509-R512 PolarHBondContact O-N 2.79Å; R509-Y513 PolarHBondContact O-N 2.76Å
510R77.6Confident69Low149 Ų149115.1 Ų115.156%0.56254%0.541SS*.Hα-helixtrans-59.9-42.5178.6-167.3-177.2-77.2144.5-14.7112K506 D507 Y513 R514K506-R510 PolarHBondContact O-N 3.05Å; D507-R510 PolarHBondContact O-N 3.04Å; D507-R510 VanDerWaalsContact O-N 3.12Å; D507-R510 VanDerWaalsContact OD1-CD 3.32Å; D507-R510 WeakPolarHBondContact OD1-CD 3.46Å; D507-R510 IonicContact OD1-CZ 2.68Å; D507-R510 IonicContact OD1-NE 2.73Å; D507-R510 IonicContact OD1-NH1 3.18Å; D507-R510 PolarHBondContact OD1-NH1 3.32Å; D507-R510 IonicContact OD2-NH1 3.99Å; D507-R510 PolarHBondContact OD2-NH1 3.03Å; D507-R510 VanDerWaalsContact OD2-NH1 3.09Å; R510-Y513 PolarHBondContact O-N 3.33Å; R510-R514 WeakPolarHBondContact O-CB 3.24Å; R510-R514 PolarHBondContact O-N 2.8Å
511M72.7Confident66.9Low129 Ų129120.3 Ų120.364%0.63556%0.557SS**Hα-helixtrans-62.7-47.5173.7-75.2-63.4-155.800112.3D507 R509 Y513 R514 S515D507-M511 WeakPolarHBondContact O-CB 3.26Å; D507-M511 WeakPolarHBondContact O-CG 3.37Å; D507-M511 PolarHBondContact O-N 2.88Å; R509-M511 PolarHBondContact O-N 3.3Å; M511-Y513 VanDerWaalsContact C-N 3.27Å; M511-Y513 PolarHBondContact O-N 2.91Å; M511-R514 PolarHBondContact O-N 3.36Å; M511-R514 VanDerWaalsContact O-N 3.09Å; M511-S515 PolarHBondContact O-N 3.39Å; M511-S515 PolarHBondContact O-OG 3.14Å
512R73.5Confident64.9Low183 Ų183121 Ų12169%0.69157%0.567SS**Hα-helixtrans-59.2-36.3174.9-74.6179.7-176.6-166.61.9112.4R508 R509 S515 K516R508-R512 WeakPolarHBondContact O-CG 3.36Å; R508-R512 PolarHBondContact O-N 2.86Å; R509-R512 PolarHBondContact O-N 2.79Å; R512-S515 PolarHBondContact O-OG 2.86Å; R512-K516 VanDerWaalsContact O-CB 3.3Å; R512-K516 WeakPolarHBondContact O-CB 3.33Å; R512-K516 WeakPolarHBondContact O-CG 3.32Å; R512-K516 PolarHBondContact O-N 3.36Å
513Y65.3Low62.8Low186 Ų186122.1 Ų122.173%0.72958%0.582SS**Hα-helixtrans-69.9-38.3174.2-122.3-85.9000112.3R509 R510 M511 S517R509-Y513 PolarHBondContact O-N 2.76Å; R510-Y513 PolarHBondContact O-N 3.33Å; M511-Y513 VanDerWaalsContact C-N 3.27Å; M511-Y513 PolarHBondContact O-N 2.91Å; Y513-S517 WeakPolarHBondContact O-CB 3.21Å; Y513-S517 PolarHBondContact O-N 3.29Å
514R63.4Low60.7Low202 Ų202126 Ų12676%0.76260%0.595SS**Hα-helixtrans-69.9-34.8178.5-163.9171.4-174.1158.50.6112.6R510 M511R510-R514 WeakPolarHBondContact O-CB 3.24Å; R510-R514 PolarHBondContact O-N 2.8Å; M511-R514 PolarHBondContact O-N 3.36Å; M511-R514 VanDerWaalsContact O-N 3.09Å
515S57.6Low58.3Low97 Ų97132.5 Ų132.568%0.67861%0.61SS**Hα-helixtrans-82.5-27.2176.763.40000114.2M511 R512M511-S515 PolarHBondContact O-N 3.39Å; M511-S515 PolarHBondContact O-OG 3.14Å; R512-S515 PolarHBondContact O-OG 2.86Å
516K49.7Very low56.2Low180 Ų180135.3 Ų135.378%0.78363%0.628SS**Hα-helixtrans-90.8-4.6173.7-65.5-170.8175.3-165.50114.5R512R512-K516 VanDerWaalsContact O-CB 3.3Å; R512-K516 WeakPolarHBondContact O-CB 3.33Å; R512-K516 WeakPolarHBondContact O-CG 3.32Å; R512-K516 PolarHBondContact O-N 3.36Å
517S38.9Very low53.8Low67 Ų67140.8 Ų140.847%0.46965%0.646SS.*SBendtrans-69.2125.8174.6-176.70000110.8Y513 V519Y513-S517 WeakPolarHBondContact O-CB 3.21Å; Y513-S517 PolarHBondContact O-N 3.29Å; S517-V519 PolarHBondContact O-N 3.5Å
518P41.4Very low51.5Low73 Ų73141.8 Ų141.847%0.47466%0.658SS.*  trans-72.296.6-179.828.5-34.1000111.3S520 R521P518-S520 PolarHBondContact O-N 3.3Å; P518-R521 PolarHBondContact O-N 3.21Å
519V43.3Very low49Very low122 Ų122145 Ų14574%0.73967%0.67SS**G310 helixtrans-56.3-18.3177.4-174.60000112.6S517 R521 T522S517-V519 PolarHBondContact O-N 3.5Å; V519-R521 VanDerWaalsContact C-N 3.29Å; V519-R521 PolarHBondContact O-N 2.99Å; V519-T522 PolarHBondContact O-OG1 3.4Å
520S38.5Very low46.9Very low81 Ų81144.4 Ų144.457%0.56668%0.684SS**G310 helixtrans-71.1-6.4176.956.40000116.1P518 T522 S523P518-S520 PolarHBondContact O-N 3.3Å; S520-T522 VanDerWaalsContact C-N 3.28Å; S520-T522 PolarHBondContact O-N 2.61Å; S520-S523 PolarHBondContact O-OG 3.32Å
521R37.7Very low44.7Very low202 Ų202142.5 Ų142.576%0.76269%0.693SS**G310 helixtrans-73.7-9.5178.9-89.9-173.9169.2-179.1-2.6115.2P518 V519P518-R521 PolarHBondContact O-N 3.21Å; V519-R521 VanDerWaalsContact C-N 3.29Å; V519-R521 PolarHBondContact O-N 2.99Å
522T38.7Very low43Very low105 Ų105141.9 Ų141.964%0.64470%0.702SS**THydrogen-bonded Turntrans-81.1-51.3175.549.10000112.4V519 S520 K524 R525V519-T522 PolarHBondContact O-OG1 3.4Å; S520-T522 VanDerWaalsContact C-N 3.28Å; S520-T522 PolarHBondContact O-N 2.61Å; T522-K524 VanDerWaalsContact C-N 3.3Å; T522-K524 PolarHBondContact O-N 3.17Å; T522-R525 PolarHBondContact O-N 2.86Å; T522-R525 VanDerWaalsContact O-N 3.08Å
523S38.5Very low41.3Very low77 Ų77143.1 Ų143.154%0.53871%0.712SS.*Hα-helixtrans-61.6-36.2-178.563.80000112.8S520 R525S520-S523 PolarHBondContact O-OG 3.32Å; S523-R525 VanDerWaalsContact C-N 3.25Å; S523-R525 PolarHBondContact O-N 2.77Å
524K38.6Very low39.8Very low172 Ų172145.9 Ų145.975%0.74872%0.721SS**Hα-helixtrans-73.3-11.4178.6-143.4168-171.31740114T522T522-K524 VanDerWaalsContact C-N 3.3Å; T522-K524 PolarHBondContact O-N 3.17Å
525R34.9Very low38.4Very low197 Ų197141.9 Ų141.974%0.74372%0.724SS**Hα-helixtrans-99.6-19.9-178.9-151.9176.7-169.9-171.54.2114.2T522 S523T522-R525 PolarHBondContact O-N 2.86Å; T522-R525 VanDerWaalsContact O-N 3.08Å; S523-R525 VanDerWaalsContact C-N 3.25Å; S523-R525 PolarHBondContact O-N 2.77Å
526Q40.1Very low37.4Very low165 Ų165142.6 Ų142.677%0.77173%0.727SS**Hα-helixtrans-77.5-29.6168.7-77.4179.9-56.200112.2S528Q526-S528 PolarHBondContact O-N 3.31Å; Q526-S528 VanDerWaalsContact O-N 3.07Å
527R33.8Very low36.6Very low225 Ų225144.5 Ų144.585%0.84973%0.731SS**THydrogen-bonded Turntrans-77.414.4-177.5-133.8171-169.2153.22.7115.3
528S35.9Very low36.5Very low91 Ų91152.9 Ų152.964%0.63675%0.752SS**THydrogen-bonded Turntrans-137.220.1-174.9-50.30000113.8Q526Q526-S528 PolarHBondContact O-N 3.31Å; Q526-S528 VanDerWaalsContact O-N 3.07Å
529R33.8Very low36.1Very low224 Ų224157 Ų15785%0.84576%0.763SS**SBendtrans-133.919.7178.2-79.7-172162.2-172-8.6114.1
530S32.2Very low35.6Very low106 Ų106159.9 Ų159.974%0.74176%0.761SS**SBendtrans-122.549.2-179.762.20000111.7
531S31.4Very low35.7Very low108 Ų108164 Ų16476%0.75577%0.771SS**  trans-145158168.465.10000110
532S35.1Very low35.6Very low116 Ų116162 Ų16281%0.81177%0.77SS**SBendtrans62.874.3-175.2-157.30000116.4
533K39.7Very low35.2Very low210 Ų210161.3 Ų161.391%0.91378%0.775SS**  -17489.7118.7-99.1171.8-175.8-173.50110.1
534R33.6Very low35.2Very low243 Ų243165.5 Ų165.592%0.91778%0.784SS**  trans-99.4102.7178.5-167.3-176.7-164.3-161.55.3108.6
535S33.5Very low35Very low118 Ų118164.6 Ų164.683%0.82578%0.782SS**  trans-81.9128.9171.3-167.40000109.7
536P36.7Very low34.9Very low112 Ų112164.2 Ų164.273%0.72779%0.786SS**  trans-107.381.6-16738.6-33.2000114.3
537Y33.3Very low34.4Very low221 Ų221160.7 Ų160.787%0.86778%0.78SS**  trans-156.486.1165.2-140.4-89.3000117.1
538R35.3Very low34.2Very low243 Ų243154.8 Ų154.892%0.91776%0.76SS**  -172.4152.1125.6-110.6179.5173166.3-1.4110.3
539K34.1Very low34.1Very low160 Ų160157.7 Ų157.770%0.69676%0.763SS**  trans-149.8158.5-173.4-169.1-175.6174.5-1560108.1
540Y32.8Very low33.8Very low182 Ų182158.4 Ų158.471%0.71477%0.766SS**  trans84152.4177.3-62-80.8000117.8
541H39.5Very low33.8Very low167 Ų167164.6 Ų164.677%0.77377%0.773SS**  trans60.2121.3-169.2-69.9-95.1000116.8
542H36.3Very low33.8Very low159 Ų159168.6 Ų168.674%0.73678%0.78SS**  cis-151.7164.2-18.7-145.7-113.6000109.7
543A31.2Very low33.8Very low91 Ų91168.3 Ų168.375%0.75278%0.778SS**  trans-139.6117-177.500000112.8
544K36.7Very low33.4Very low165 Ų165164 Ų16472%0.71777%0.774SS**  trans-152.7149.1161.9-84.6-179.2151.9-960105.1
545E35.4Very low33.5Very low153 Ų153157.2 Ų157.272%0.71576%0.764SS**  cis-135.3172.4-2.1-141.296.2-124.800108.4
546K32.4Very low33.3Very low190 Ų190163.4 Ų163.483%0.82677%0.77SS**  trans-161.7142.4-173.5-164.2-169.5178.8-172.60113.8
547S30.8Very low33.1Very low91 Ų91162.2 Ų162.264%0.63677%0.769SS**  trans81.2119.3165-19.20000116.1
548F29.4Very low33.1Very low100 Ų100156.6 Ų156.644%0.43976%0.762SS.*  trans-178.3149.4136-111.7-103000103.5S801F548-S801 VanDerWaalsContact CB-CB 3.49Å; F548-S801 VanDerWaalsContact CD1-CB 3.47Å; F548-S801 WeakPolarHBondContact CD1-OG 3.44Å; F548-S801 WeakPolarHBondContact CE1-OG 3.28Å
549E32.3Very low32.9Very low152 Ų152149.2 Ų149.271%0.7174%0.744SS**  cis-139.2162.33.8-169.9153.3-134.200111
550R28.9Very low32.9Very low240 Ų240147.1 Ų147.191%0.90674%0.737SS**  trans-161.890.6170.2-175.6-159.2-117.9-136.6-5.7112.2
551R30.7Very low33.1Very low235 Ų235142.7 Ų142.789%0.88773%0.733SS**  trans-178.5110.2143.3-111.3174.3170.6-167-4.3112.8
552E32.8Very low33Very low192 Ų192140 Ų14090%0.89773%0.73SS**  trans-176.4147.1132.2-102.9170-164.800107.1
553S35.2Very low33Very low110 Ų110140.6 Ų140.677%0.76973%0.732SS**  cis-127.3164.8-1.6-76.50000111.1
554S30.4Very low33Very low119 Ų119143.8 Ų143.883%0.83273%0.732SS**  trans-128.3119.7-174.3159.20000112.4
555S35Very low32.7Very low101 Ų101146 Ų14671%0.70674%0.735SS**  trans-153.189.3172.744.10000114.6
556R30.1Very low32.6Very low249 Ų249148.3 Ų148.394%0.9474%0.737SS**  trans71.1157155.7-51.1166.7-175.6175.60.3115.6
557A32.7Very low32.4Very low87 Ų87145.6 Ų145.672%0.71973%0.728SS**  cis-173164.2-28.200000108.2
558S33.2Very low32.4Very low102 Ų102152.5 Ų152.571%0.71374%0.74SS**  cis-171.6144.9-31-85.20000109.6
559T32.1Very low32.5Very low88 Ų88152.6 Ų152.654%0.5476%0.759SS.*  trans61.1162.2160.452.60000117.8P445 A446P445-T559 VanDerWaalsContact CB-O 3.22Å; P445-T559 WeakPolarHBondContact CB-O 2.89Å; P445-T559 WeakPolarHBondContact CG-O 3.37Å; A446-T559 PolarHBondContact N-O 2.89Å; A446-T559 CarbonylContact O-C 2.84Å; A446-T559 WeakPolarHBondContact O-CA 3.43Å
560E32.8Very low32.7Very low117 Ų117153.7 Ų153.755%0.54776%0.764SS.*  cis-138.1133.47.5-52.7162.496.200114P445 A446P445-E560 CarbonylContact C-O 3.14Å; P445-E560 HydrophobicContact CG-CB 4.35Å; P445-E560 HydrophobicContact CG-CG 4.37Å; P445-E560 VanDerWaalsContact O-O 3.12Å; A446-E560 WeakPolarHBondContact CA-O 3.49Å; A446-E560 PolarHBondContact N-O 3.44Å; A446-E560 VanDerWaalsContact N-O 3.08Å; A446-E560 PolarHBondContact O-N 3.06Å
561S36.8Very low33.3Very low89 Ų89147.2 Ų147.262%0.62275%0.753SS**  trans41.1144.7140.6-610000125.7T447T447-S561 PolarHBondContact O-N 2.94Å
562P39.1Very low33.5Very low110 Ų110143.5 Ų143.571%0.71475%0.75SS**  trans-113.8162.3169.940.5-31.9000115
563H34.8Very low33.7Very low171 Ų171144.3 Ų144.379%0.79275%0.745SS**  trans-174.3136.2140-119.6-119.2000117.5
564H31.2Very low33.9Very low159 Ų159149.2 Ų149.274%0.73675%0.752SS**  trans59.3125.2138.4-113-112.4000125
565R31.9Very low34.3Very low210 Ų210148.4 Ų148.479%0.79275%0.746SS**  114.9110.1120.4-155.5-174.5-152.3178.86.5120.7
566R31.6Very low34.3Very low202 Ų202149.6 Ų149.676%0.76275%0.745SS**  trans70.4134.2147.3-83.2-178.5168.3-157.25.1122.8
567E29.9Very low34.7Very low134 Ų134145.7 Ų145.763%0.62674%0.741SS**  trans70.6110.7137.3-69174.5-131.200122.1
568R29.9Very low34.9Very low236 Ų236147.2 Ų147.289%0.89175%0.746SS**  90139.2129.2-153.3176.6-162.4161.61119.6
569A31.3Very low35.5Very low101 Ų101148 Ų14884%0.83575%0.749SS**  trans91.3148.6161.800000121
570E36.8Very low35.7Very low176 Ų176153.3 Ų153.382%0.82276%0.759SS**  trans-103.6-171.8173.4-80.7-99171.500108.6
571P42.2Very low36Very low103 Ų103157.9 Ų157.967%0.66977%0.771SS**  cis-131.4-168.7-12.628.9-5.4000113.3
572L33.9Very low36.1Very low157 Ų157158.9 Ų158.982%0.82277%0.766SS**  trans152.2118.7143.3-82.7165.2000108.8
573R37.7Very low36Very low210 Ų210157.9 Ų157.979%0.79277%0.767SS**  66.5126.158.5-77.6-159.7177.3-1353.1116.5
574K39.5Very low36Very low212 Ų212154.2 Ų154.292%0.92276%0.761SS**  trans-127.6149.4148.5-80.3-173.7174.4-178.10108.3
575S38.8Very low36.4Very low102 Ų102154.9 Ų154.971%0.71376%0.764SS**  trans-117.3-173.7-16346.70000111
576D34.7Very low36.8Very low127 Ų127148.9 Ų148.968%0.67976%0.759SS**  cis-170.6135.4-45.2-84.8-50.3000104.2
577I38.1Very low37.1Very low167 Ų167145.4 Ų145.486%0.85676%0.756SS**  trans-140.2123.5171.5-60.4-177.4000110
578S36.6Very low37.4Very low118 Ų118146.7 Ų146.783%0.82576%0.762SS**  trans-172.9146.7165.3-76.70000109.5
579P46.2Very low37.8Very low119 Ų119142.2 Ų142.277%0.77376%0.755SS**  trans-144.7120.1146.231.5-12.5000116.2
580R36Very low37.8Very low200 Ų200142.9 Ų142.976%0.75575%0.749SS**  54.8128119-173.4-171177.1172.41.1121.4E582R580-E582 IonicContact CZ-OE1 2.66Å; R580-E582 IonicContact NE-OE1 2.69Å; R580-E582 PolarHBondContact NE-OE1 3.11Å; R580-E582 IonicContact NH2-OE1 3.91Å; R580-E582 PolarHBondContact NH2-OE1 3.04Å
581R39.3Very low37.8Very low212 Ų212144.3 Ų144.380%0.875%0.747SS**  159.8161.1129.7-91.3-160.8158138.1-2.8111.6
582E38Very low37.3Very low111 Ų111145 Ų14552%0.51975%0.745SS.*  cis-171.5164.6-38.5-121.6153.7-149.500108.8R580R580-E582 IonicContact CZ-OE1 2.66Å; R580-E582 IonicContact NE-OE1 2.69Å; R580-E582 PolarHBondContact NE-OE1 3.11Å; R580-E582 IonicContact NH2-OE1 3.91Å; R580-E582 PolarHBondContact NH2-OE1 3.04Å
583A37.4Very low37.4Very low88 Ų88144.8 Ų144.873%0.72774%0.744SS**  trans65.2148.6-177.500000115.9
584S36.2Very low37.2Very low94 Ų94139.8 Ų139.866%0.65774%0.742SS**  cis75.7143.331.493.70000114.3
585E38.3Very low37.1Very low174 Ų174132.7 Ų132.781%0.81373%0.728SS**  cis-162-179.820.2-146.5150.9123.300114
586A39.8Very low37.4Very low83 Ų83133.7 Ų133.769%0.68673%0.732SS**  trans78.7137.9151.700000124.3
587D39.1Very low37.4Very low130 Ų130133.7 Ų133.770%0.69574%0.737SS**  trans55.1112.8143.9-69.2-7.2000123.4
588Q35.2Very low37.3Very low160 Ų160130 Ų13075%0.74873%0.726SS**  91.8149.163.2-82.7-166.59200114.6
589L38.4Very low37.2Very low143 Ų143131.3 Ų131.375%0.74972%0.723SS**  trans75.591.9160.7-69.3164.9000121.5
590T32.7Very low36.8Very low114 Ų114132.6 Ų132.670%0.69972%0.719SS**  67.8140.612055.60000124.3
591R35Very low36.9Very low207 Ų207129.6 Ų129.678%0.78172%0.717SS**  trans76.6124.5149.1-71.3171.277.3172.71.9119.9
592D32.5Very low36.9Very low117 Ų117127.4 Ų127.463%0.62672%0.715SS**  22.3116.6127.1-15.9-50.2000117.5
593N35.1Very low37Very low152 Ų152127.2 Ų127.281%0.81373%0.733SS**  -175.4179.3102.4-100.3-70.9000113.7
594S35Very low36.9Very low106 Ų106126.3 Ų126.374%0.74173%0.732SS**  trans-44157.2176.153.70000118.1
595G36.6Very low37Very low62 Ų62129 Ų12964%0.63974%0.74SS**  trans-75.1-142.1153.400000111.7
596P44.3Very low37.2Very low123 Ų123126.3 Ų126.380%0.79974%0.735SS**  cis-117.5-122.73.941.6-27.7000112
597V35.2Very low37.2Very low128 Ų128129.6 Ų129.678%0.77674%0.741SS**  trans81.2134.9171.7-177.20000115.8
598S36.3Very low37.4Very low89 Ų89129.8 Ų129.862%0.62274%0.74SS**  cis-172.6154.8-23.1-97.10000110.6
599L35.5Very low37.6Very low146 Ų146128.8 Ų128.876%0.76474%0.74SS**  trans61.2160.2147.7-63.6163000117.5
600E36.1Very low37.7Very low146 Ų146130.5 Ų130.568%0.68275%0.745SS**  cis-154.2132.413.3-149.4153130.100113.2
601L39.8Very low38Very low136 Ų136131.5 Ų131.571%0.71274%0.744SS**  trans57.7161.8152-63.5173.3000119.7
602Q38.4Very low38.3Very low166 Ų166128.4 Ų128.478%0.77674%0.742SS**  cis-157.9137.816.3-146.215991.300112.1
603A39.7Very low38.4Very low107 Ų107132.7 Ų132.788%0.88475%0.75SS**  trans57.3151.7171.200000118.3
604G36.1Very low38.6Very low69 Ų69132.4 Ų132.471%0.71174%0.744SS**  cis122.4137.88.300000110.6
605D37.7Very low38.7Very low152 Ų152131.8 Ų131.881%0.81374%0.74SS**  cis-162.4173.3-4.8-143.1-29.5000111.4
606T42.8Very low38.8Very low117 Ų117135 Ų13572%0.71875%0.747SS**  trans52.395.8161.159.70000122.5
607D40Very low38.4Very low152 Ų152134.5 Ų134.581%0.81375%0.746SS**  40.9148.4103.9-96.4-11.3000126.9
608I43.4Very low38.4Very low133 Ų133132.3 Ų132.368%0.68274%0.736SS**  trans90.5108.2140.4-71.8164.1000123.2
609D38Very low38.6Very low140 Ų140135.9 Ų135.975%0.74974%0.743SS**  trans50.9112.4131.9-51.4-17000126.3
610E40.5Very low38.9Very low179 Ų179140.2 Ų140.284%0.83675%0.751SS**  65.2148113.3-135.8-175.8-136.500124.2
611I40.5Very low38.8Very low135 Ų135136.6 Ų136.669%0.69275%0.752SS**  trans81.276.9162.3-40-176.8000120
612L40.4Very low38.8Very low141 Ų141135.7 Ų135.774%0.73876%0.758SS**  47.2139106.5-153.671.1000122.6
613W35.8Very low38.8Very low207 Ų207133.9 Ų133.978%0.78476%0.758SS**  trans73.8154.1174.1-55.491000117.3
614E37.5Very low38.7Very low146 Ų146133 Ų13368%0.68275%0.751SS**  cis-169.9145.7-46.9-136.8-170.9-141.200109.7
615S38.8Very low39Very low94 Ų94135.6 Ų135.666%0.65775%0.753SS**  trans75.2150.7148-60.20000123.1
616V37.4Very low39.1Very low130 Ų130137.1 Ų137.179%0.78875%0.752SS**  trans92.6102.1156.7-164.70000120.4
617S37.3Very low39.1Very low112 Ų112137 Ų13778%0.78376%0.756SS**  trans69.9154.5142.9-70.50000121.9
618S34.9Very low39.3Very low82 Ų82135.5 Ų135.557%0.57375%0.754SS**  cis-163150-22.8-153.30000112.6
619E40.6Very low39.8Very low164 Ų164135.2 Ų135.277%0.76676%0.761SS**  trans63.2166.3147.3-77.1156.3136.600123.4
620Y40.2Very low39.7Very low237 Ų237138.2 Ų138.293%0.92977%0.768SS**  trans67.4123.9-177.9-60.6-89.3000117.4
621G36Very low39.8Very low69 Ų69136.8 Ų136.871%0.71177%0.765SS**  cis150131.2-13.300000114.2
622S38.4Very low39.9Very low118 Ų118141.1 Ų141.183%0.82577%0.773SS**  trans67.3152.6171.1-72.60000117.3
623T39.6Very low40Very low127 Ų127141.1 Ų141.178%0.77977%0.774SS**  cis-155.8136.82.56.40000113.4
624A37.3Very low40.2Very low90 Ų90134.2 Ų134.274%0.74477%0.767SS**  trans6415913700000124.8
625V40.9Very low40.3Very low123 Ų123133.1 Ų133.175%0.74578%0.775SS**  trans118.7100.4147.5-174.60000119.1
626K40.9Very low40.3Very low184 Ų184132.8 Ų132.880%0.877%0.772SS**  trans61.7112.7142.4-65.3174.2-173.91730124
627S43.1Very low40.3Very low113 Ų113134.9 Ų134.979%0.7977%0.774SS**  72.5143.1116.8-52.40000123.4
628P43Very low40.3Very low121 Ų121134.2 Ų134.279%0.78677%0.769SS**  trans-110.1175179.343-36.2000115
629P53.8Low40.3Very low127 Ų127137.3 Ų137.383%0.82578%0.784SS**  trans-103.6148.1166.936.8-30000114.6
630K37Very low40Very low203 Ų203133.1 Ų133.188%0.88379%0.785SS**  trans-117155.9158.4-78.6-173.9176.8-177.10109
631L41.9Very low39.8Very low150 Ų150129.8 Ų129.879%0.78578%0.783SS**  trans175.6152.7152.7-94.6152.9000106.6
632R43.8Very low39.6Very low226 Ų226131.4 Ų131.485%0.85379%0.79SS**  cis-145.8150.311.2-166.3169.6-171.2-160.23.2113.1
633D40.7Very low39.4Very low141 Ų141129.6 Ų129.675%0.75479%0.79SS**  trans-62.8167.2179.6-42.5-88.5000114.6
634G40Very low39.1Very low62 Ų62133.4 Ų133.464%0.63980%0.796SS**  cis161.6-162.4-2.100000113.5
635S40Very low39.1Very low122 Ų122135.9 Ų135.985%0.85380%0.802SS**  trans61.6151170.661.40000119.9
636S39.5Very low38.9Very low87 Ų87135.1 Ų135.161%0.60880%0.802SS**  cis-167.1157.3-33.356.20000110
637E38.1Very low39Very low174 Ų174131.6 Ų131.681%0.81380%0.798SS**  trans59.7167.9156.1-66.1149126.200119.6
638S36.6Very low38.9Very low98 Ų98134.5 Ų134.569%0.68580%0.799SS**  cis-159.3160-48.868.90000109.7
639V35.2Very low38.8Very low148 Ų148136.2 Ų136.290%0.89780%0.796SS**  trans50.8123.2161.9-172.20000119
640G34.6Very low38.1Very low75 Ų75137.7 Ų137.777%0.77380%0.795SS**  trans174.4116.7163.700000117.4
641N34.4Very low38.2Very low167 Ų167133.8 Ų133.889%0.89379%0.788SS**  trans-55.2146.1179.1-85.6-37.4000117.2
642A32.3Very low38.1Very low104 Ų104132.2 Ų132.286%0.8679%0.785SS**  trans32.8112.4137.900000120.6
643G34.6Very low38Very low80 Ų80131 Ų13183%0.82578%0.781SS**  trans-154.314416400000112.6
644K32.6Very low38Very low206 Ų206128.3 Ų128.390%0.89677%0.766SS**  trans-114.2124.1179.9-62.5172.1-178.1171.70111.4
645T37.5Very low38.1Very low143 Ų143135.7 Ų135.788%0.87778%0.775SS**  trans-166.3137.3155.226.50000107.3
646S36.6Very low38.1Very low106 Ų106132.9 Ų132.974%0.74177%0.765SS**  cis113.8124.921.4-170.60000110
647P42.7Very low38.1Very low111 Ų111137.2 Ų137.272%0.72178%0.781SS**  trans-95.6159.8-170.337.1-36.3000115.2
648H41.7Very low38.2Very low174 Ų174132.2 Ų132.281%0.80678%0.777SS**  trans-80.3121.3161-84.9-107.7000109.4
649Q41.7Very low38.2Very low157 Ų157138.8 Ų138.873%0.73479%0.787SS**  77.712061.5-74.5-162.722.500115
650I38.6Very low38.4Very low157 Ų157137.9 Ų137.981%0.80578%0.782SS**  -161.3118.4113.6-96156000109.6
651V38.2Very low38.5Very low122 Ų122139.7 Ų139.774%0.73978%0.778SS**  trans40.1121.2147.1-1800000119.6
652T41.2Very low38.7Very low117 Ų117140.1 Ų140.172%0.71878%0.776SS**  cis-157.9-151.9-12.635.40000107
653R41.2Very low38.9Very low201 Ų201142.5 Ų142.576%0.75878%0.775SS**  cis-165-178.310.2-144-166.8149.288.724112.9
654D40.5Very low39.1Very low83 Ų83142.4 Ų142.444%0.44477%0.774SS.*  trans-29.6152.6166.7-64.3-51.5000117.7
655R41.9Very low39.2Very low218 Ų218139.9 Ų139.982%0.82378%0.776SS**  cis-166.8161.2-4-99.8161.3-149.5177.69.1107.2
656G41Very low39.2Very low63 Ų63136 Ų13665%0.64977%0.765SS**  cis174.1151.2-4.300000110.9
657D39Very low39.1Very low177 Ų177137.3 Ų137.395%0.94777%0.768SS**  trans19.3146.7162.5-53.6-61.2000123.7
658G39.8Very low38.5Very low70 Ų70136.4 Ų136.472%0.72277%0.765SS**  cis174.4-165.5100000116.4
659R36.9Very low38.2Very low236 Ų236135.2 Ų135.289%0.89176%0.764SS**  trans-17.2154.2173.1-88.8174169.7165-4.9119
660T38.9Very low37.7Very low129 Ų129133.3 Ų133.379%0.79176%0.764SS**  -159.4164.154.8-31.70000114.4
661T36.2Very low37.5Very low113 Ų113134.7 Ų134.769%0.69377%0.767SS**  trans-96.6160.8173.648.20000112.8
662M40.2Very low37.3Very low175 Ų175136.5 Ų136.586%0.86277%0.767SS**  trans-164.2156.8134.8-95.4-44.9167.500111.5
663D35Very low37.4Very low154 Ų154136 Ų13682%0.82477%0.765SS**  trans-93170.9-173-52.8-92.9000114
664G39.7Very low37Very low79 Ų79130.4 Ų130.481%0.81476%0.758SS**  trans-170.8118.1171.400000113.4
665T34.5Very low36.7Very low152 Ų152133.2 Ų133.293%0.93378%0.777SS**  trans-111.9152.8-176.445.20000113
666G37.5Very low36.4Very low63 Ų63126.6 Ų126.665%0.64978%0.777SS**  trans162.1100.117100000110.6
667T33.7Very low35.9Very low132 Ų132134.4 Ų134.481%0.8179%0.787SS**  78.4117.267.463.10000115.2
668S31.5Very low35.7Very low93 Ų93137.1 Ų137.165%0.6578%0.784SS**  trans48.7114.3149.357.90000120.7
669D35.3Very low35.1Very low148 Ų148139 Ų13979%0.79179%0.785SS**  -175130.3100-86.8-29.6000110
670T31Very low34.9Very low118 Ų118136.4 Ų136.472%0.72478%0.78SS**  76.879.354.8-47.40000113.8
671Q33.9Very low34.5Very low185 Ų185138.7 Ų138.786%0.86478%0.782SS**  trans-169.6119.1137.1-109.3168.528.300114
672E34.5Very low34.7Very low161 Ų161142.5 Ų142.575%0.75279%0.789SS**  trans-77.2143149.2-117.9-85.8157.400107.6S674E672-S674 PolarHBondContact OE2-N 2.85Å
673P44Very low34.3Very low105 Ų105140.2 Ų140.268%0.68279%0.79SS**  -148.4117.2118.133.5-15.8000115.5
674S31.3Very low34.3Very low85 Ų85135.9 Ų135.959%0.59478%0.782SS**  28.4155.9109.976.50000122.1E672E672-S674 PolarHBondContact OE2-N 2.85Å
675V34Very low34Very low142 Ų142139.5 Ų139.586%0.86178%0.777SS**  trans82.2108.4166.8-168.20000117.2
676G35.8Very low34Very low79 Ų79141.3 Ų141.381%0.81477%0.767SS**  trans-157.435.9176.100000115.5R678G676-R678 PolarHBondContact O-N 2.92Å
677R31.7Very low34Very low226 Ų226145.2 Ų145.285%0.85377%0.772SS**  trans-63.8130.3-175.2-62.4-175.4-175.7-158.52.8113.4
678R34.2Very low34Very low234 Ų234145.9 Ų145.988%0.88377%0.771SS**  -164.7125.8124.9-121.5156.2-72.3-156.20.7114.3G676G676-R678 PolarHBondContact O-N 2.92Å
679C27.9Very low34Very low110 Ų110150.3 Ų150.374%0.74378%0.781SS**  trans-75.5157.3161.5-44.40000109.6
680F32.1Very low34Very low182 Ų182151.5 Ų151.580%0.79878%0.782SS**  trans-151.697.8148.4-125.7-73.5000110.4
681E29.9Very low34.2Very low177 Ų177151.4 Ų151.483%0.82778%0.777SS**  trans-69.7150.7163.7-63.6165.7105.900109.5
682K40.2Very low34Very low192 Ų192152.1 Ų152.184%0.83577%0.771SS**  trans-150127.8156.5-118.4168.5-173.7177.30111
683S31.6Very low33.9Very low128 Ų128153.1 Ų153.190%0.89578%0.776SS**  trans-85.5163.6-173.145.10000113.2
684G35.2Very low33.4Very low62 Ų62156.1 Ų156.164%0.63978%0.781SS**  trans159.296.7177.600000107.8
685E35Very low33.5Very low155 Ų155161.1 Ų161.172%0.72479%0.793SS**  62129.288.7-71.5-164.1-172.300112.9
686R34.6Very low33.3Very low191 Ų191159.1 Ų159.172%0.72179%0.785SS**  cis-163.715216.8-117.8163.1156.6132.7-9.8109
687L36.7Very low33.1Very low145 Ų145160.5 Ų160.576%0.75978%0.782SS**  trans54.3125.4141.6-64.2170.8000118.8
688N33.1Very low33.2Very low146 Ų146155.7 Ų155.778%0.78178%0.783SS**  cis-144.1143.127.1-82.5-20.3000112.3
689E31.9Very low33.3Very low186 Ų186150.7 Ų150.787%0.86978%0.781SS**  trans-89.2160.5144.1-63.5171.1103.800108.9
690E35.8Very low33.7Very low173 Ų173150 Ų15081%0.80878%0.783SS**  trans175.8118.8138.5-101.1-167135.600110.1
691L33.9Very low33.8Very low116 Ų116147.2 Ų147.261%0.60778%0.781SS**  trans49.4148.4153.2-70.677.2000119.2
692W30.8Very low34.3Very low199 Ų199146.3 Ų146.375%0.75478%0.78SS**  cis-139.5123.526.1-66.973000111.5F695W692-F695 HydrophobicContact CZ3-CD2 4.22Å; W692-F695 HydrophobicContact CZ3-CE2 4.39Å
693E33.1Very low34.2Very low182 Ų182141.8 Ų141.885%0.8577%0.771SS**  trans-93.4-179.5136.8-65.6-161.3133.300108.4
694E32.8Very low34.2Very low169 Ų169144.1 Ų144.179%0.7977%0.765SS**  trans57.6112.8172.7-52.9-165.1139.800117.4
695F33.1Very low34.3Very low190 Ų190148.4 Ų148.483%0.83377%0.768SS**  -162123.2114.3-107.7-67.5000110.5W692W692-F695 HydrophobicContact CZ3-CD2 4.22Å; W692-F695 HydrophobicContact CZ3-CE2 4.39Å
696S29.6Very low34.6Very low99 Ų99144.7 Ų144.769%0.69276%0.76SS**  trans-91163.2173.751.90000111.4
697S32.7Very low34.7Very low108 Ų108145 Ų14576%0.75577%0.767SS**  trans55.9102.7153.1-570000120.1
698S33.2Very low34.7Very low126 Ų126141.1 Ų141.188%0.88176%0.761SS**  trans-175.3122.4133.8-84.60000113.2
699P36.2Very low34.6Very low129 Ų129141.6 Ų141.684%0.83876%0.764SS**  trans-111157.9172.938.6-30.8000114.4
700A36.6Very low34.8Very low95 Ų95140.6 Ų140.679%0.78576%0.759SS**  trans-146.4136.8162.600000109.9
701T34.3Very low34.7Very low124 Ų124138.5 Ų138.576%0.76176%0.758SS**  cis86106.433.6-610000111.3
702I39.3Very low34.8Very low157 Ų157138.9 Ų138.981%0.80576%0.764SS**  cis-152.3-147-11-5.6165.4000106.3
703P39Very low35Very low98 Ų98137.3 Ų137.364%0.63677%0.765SS**  cis-130.9-177.3-17.925.5-0.5000115.6
704F31Very low35.1Very low177 Ų177136.3 Ų136.378%0.77676%0.761SS**  trans69.1147.4144.5-84.9-152.4000120.5
705E37.5Very low35.1Very low152 Ų152136 Ų13671%0.7176%0.764SS**  cis-150.1161.11.9-138.2167.2169.300113.2
706S41.8Very low35.2Very low77 Ų77130.2 Ų130.254%0.53876%0.759SS.*  trans-34.9167.9171.761.90000120
707F35.7Very low35.3Very low198 Ų198137.5 Ų137.587%0.86877%0.771SS**  cis-135.4169.57.8-77.1-80.1000108.7
708G36.3Very low35.6Very low62 Ų62137.6 Ų137.664%0.63977%0.769SS**  80.5143.354.100000111.9
709D32.4Very low35.6Very low157 Ų157139.7 Ų139.784%0.8477%0.765SS**  cis-165.2-176.5-13.1-132.6-53.8000111.1
710E36Very low35.4Very low165 Ų165137.4 Ų137.477%0.77176%0.757SS**  trans65.6141172.4-52.4-162.7103.600117.8
711V33Very low35.1Very low129 Ų129140.5 Ų140.578%0.78276%0.76SS**  cis93154.522.6-173.70000113.8
712V35.4Very low35Very low123 Ų123139 Ų13975%0.74576%0.761SS**  trans79.3139.3-177.8-174.90000116.3
713E35Very low34.6Very low166 Ų166140.5 Ų140.578%0.77676%0.758SS**  cis-159.3176.1-34.7-96.2-137.4126.600110.3
714E35.5Very low34.3Very low161 Ų161142.3 Ų142.375%0.75276%0.758SS**  trans23.5133.6161.5-62.9-152.1134.800125.7
715D34.1Very low34.3Very low162 Ų162137.5 Ų137.587%0.86675%0.746SS**  trans41.3152.5134.1-78.612.9000125.4
716G34.2Very low34.1Very low69 Ų69139 Ų13971%0.71176%0.755SS**  trans170.4-11.6158.800000126.9
717R31.7Very low33.8Very low252 Ų252140.7 Ų140.795%0.95176%0.758SS**  trans60.9-170.2174.2-112.6-177.7167.2168.9-2.7115.4
718P39.8Very low33.8Very low110 Ų110136.3 Ų136.371%0.71475%0.748SS**  cis-124.3-170.7-41.838.6-23.5000114.1
719E33.1Very low33.8Very low170 Ų170141.5 Ų141.579%0.79476%0.755SS**  trans-73.1147.4167.7-56.1170111.500112.5
720A31.5Very low33.8Very low82 Ų82144.4 Ų144.468%0.67875%0.754SS**  169.2126.9120.300000117.2
721N30.5Very low33.8Very low159 Ų159147.5 Ų147.585%0.8576%0.759SS**  trans60.8156.5132.4-58.9-11.9000124.8
722A31.9Very low33.9Very low94 Ų94146 Ų14678%0.77775%0.754SS**  trans75153.8161.700000116.6
723Y32.2Very low34.1Very low188 Ų188146 Ų14674%0.73776%0.757SS**  cis-146.4-178.5-2.4-157.4-144.9000113.6
724E31.6Very low34.5Very low136 Ų136143.8 Ų143.864%0.63676%0.757SS**  trans-46.4172.7162.6-75.8174.4-141.500115.8
725S32.3Very low34.4Very low76 Ų76142.1 Ų142.153%0.53176%0.76SS.*  cis-175.6138.6-23-1800000109.6
726M32.8Very low34.3Very low182 Ų182142 Ų14290%0.89776%0.758SS**  trans-157.2106.1153.4-65.4-162.982.600105.4
727D34.3Very low34.2Very low114 Ų114150.2 Ų150.261%0.6177%0.768SS**  cis71.7151.125.8-138.3-25.5000114.5
728T37.2Very low34.5Very low105 Ų105143.3 Ų143.364%0.64476%0.756SS**  trans66.5135.6-150.576.90000113.4
729H36Very low34.1Very low172 Ų172143.4 Ų143.480%0.79676%0.755SS**  cis-116.91282.5-91.3-83.6000113.7
730R32.4Very low34.1Very low218 Ų218144.1 Ų144.182%0.82376%0.758SS**  trans-66.6144.8153.7-62176.4177.7-173.5-1110.3
731R36.3Very low34.1Very low230 Ų230143.1 Ų143.187%0.86876%0.756SS**  -170.6101.7128-96.6154.7-155-97.76107.4
732S34.1Very low34.2Very low97 Ų97144.9 Ų144.968%0.67876%0.756SS**  82.6109.887.4-66.40000112
733P39.1Very low34.4Very low123 Ų123148.9 Ų148.980%0.79976%0.758SS**PPolyproline II helixtrans-74.5135.3171.831.2-32.8000110.6
734P43.2Very low34.7Very low120 Ų120150.4 Ų150.478%0.77976%0.763SS**PPolyproline II helixtrans-74.5147.1165.531.3-32.7000110.5
735P34.2Very low35.2Very low125 Ų125148.4 Ų148.481%0.81276%0.761SS**PPolyproline II helixtrans-88.8174-171.536.1-37.6000114.5
736L31.5Very low35.4Very low161 Ų161150.8 Ų150.884%0.84377%0.768SS**PPolyproline II helixtrans-59.1140.3166-57.3163.2000111.7
737R32.4Very low35.6Very low240 Ų240148.2 Ų148.291%0.90676%0.757SS**  177.9168.8113-94.4-174.8-176.7-125.5-1.5111.7
738P38.8Very low35.8Very low108 Ų108149.2 Ų149.270%0.70176%0.763SS**  trans-118.7-162.3-153.644.9-34.6000114.2
739T30.1Very low36Very low112 Ų112150 Ų15069%0.68777%0.767SS**  trans118.2139.2159.7710000116
740E33.5Very low36.1Very low184 Ų184146.8 Ų146.886%0.8676%0.763SS**  trans51.7143.5151-66.3154-118.900120.8
741G31.9Very low36.3Very low62 Ų62145.6 Ų145.664%0.63976%0.758SS**  cis154.6147.4-5.500000112.2
742K32.8Very low36.6Very low196 Ų196139.7 Ų139.785%0.85274%0.744SS**  trans70.5141179.9-45.3160.2-173.9171.60112.2
743H36.4Very low36.9Very low178 Ų178140.5 Ų140.582%0.82474%0.741SS**  cis-142.8148.432.8-116.1-88.9000114.5
744R37.5Very low37.1Very low220 Ų220142.2 Ų142.283%0.8374%0.738SS**  trans-102.9-176.6150.2-108.5-169.4-177-168.52.1107.2
745P43.4Very low36.9Very low93 Ų93141 Ų14160%0.60474%0.738SS**  cis-119.2-165.5-3.820.27.2000110.1
746D36.2Very low37.2Very low127 Ų127140.4 Ų140.468%0.67974%0.736SS**  153.2163.778.9-89.3-40.1000104.1
747L35.9Very low37.6Very low128 Ų128140.7 Ų140.767%0.6774%0.735SS**  cis-161.5171.9-18.1-110.9167.4000107.2
748D39.5Very low38Very low135 Ų135136.4 Ų136.472%0.72273%0.727SS**  trans65.3148.7151-69.2-16.7000121.7
749V40.8Very low38.3Very low121 Ų121137 Ų13773%0.73373%0.731SS**  cis-162.7169.7-23.8940000110.7
750C37.7Very low38.6Very low105 Ų105140.2 Ų140.271%0.70974%0.738SS**  trans71.1153.2167.5-81.30000120.9
751R36.6Very low38.8Very low193 Ų193136.1 Ų136.173%0.72874%0.736SS**  cis-176.9165.9-42.9-117.2-175.183.8120.117.2111.1
752D42.5Very low39Very low105 Ų105138.1 Ų138.156%0.56174%0.74SS**  trans66.5147155.7-57.1-28.4000119.2
753D41.5Very low39.1Very low115 Ų115138.6 Ų138.662%0.61574%0.738SS**  cis-154.5168.5-2.5-136.1-40.4000115
754H42.2Very low39.1Very low159 Ų159136 Ų13674%0.73673%0.73SS**  trans61.4126.5164.9-56-25.9000118.9
755A39.7Very low39Very low94 Ų94132.2 Ų132.278%0.77772%0.721SS**  cis77136.134.500000113.9
756S40.6Very low38.5Very low112 Ų112137.1 Ų137.178%0.78373%0.728SS**  cis-159-177.31.1-145.10000108.9
757M39.4Very low38.4Very low167 Ų167137.3 Ų137.382%0.82373%0.729SS**  cis-157-155.65-151.6168.277.400110.4
758M41.9Very low38.4Very low150 Ų150136.8 Ų136.874%0.73973%0.727SS**  trans-146.6162.6174.3-98.5-83.2171.700108.3
759P44.6Very low38.2Very low121 Ų121140.4 Ų140.479%0.78673%0.73SS**  -152.6-162.79640.3-19.6000115.5
760Q35.4Very low37.9Very low179 Ų179139.4 Ų139.484%0.83673%0.729SS**  trans-120.9-168.3-161.8-54.4173.1-4.500113.4
761A37.3Very low37.9Very low98 Ų98140.3 Ų140.381%0.8174%0.737SS**  trans78.8150.5166.200000117.2
762S35.9Very low37.9Very low104 Ų104134.4 Ų134.473%0.72774%0.736SS**  cis-168.3165.4-17.849.10000112.6
763Y36.1Very low37.8Very low207 Ų207139.7 Ų139.781%0.81275%0.754SS**  trans75.4123.5151.9-97.3-130.3000123.3
764L37.3Very low37.4Very low124 Ų124138.4 Ų138.465%0.64976%0.759SS**  trans47.2137.4139-57-177.8000124.4
765E34.2Very low37.2Very low139 Ų139138 Ų13865%0.6577%0.767SS**  trans26.3143.2136.6-50.8-172.1141.300120.9
766R34.1Very low37.1Very low196 Ų196138.3 Ų138.374%0.7477%0.77SS**  cis-17215244.9-148.9166.3-73.8144.8-2.1113
767N33.6Very low36.8Very low131 Ų131136.7 Ų136.770%0.70177%0.77SS**  trans24.3147.3152.4-67.216.8000126.1
768D35.3Very low36.6Very low117 Ų117140 Ų14063%0.62677%0.774SS**  trans64.7155.2143.9-71.7-47.7000118.8
769R35.3Very low36.3Very low211 Ų211137.4 Ų137.480%0.79677%0.771SS**  cis-161.2161.5-21.6-122.9171.1-150.8-158.33.4111.8
770S35.6Very low36Very low101 Ų101138.3 Ų138.371%0.70676%0.764SS**  trans66.1127.9144.762.70000125.2
771S36.7Very low36.1Very low124 Ų124138.1 Ų138.187%0.86776%0.756SS**  trans92.6156.9130.979.60000123
772G37.2Very low36.3Very low69 Ų69139.7 Ų139.771%0.71175%0.746SS**  trans92.5121.3-17900000113.8
773K38.9Very low36.5Very low216 Ų216142 Ų14294%0.93974%0.743SS**  cis66.1135.736.6-67-173.3176.7179.60114.4
774A34.6Very low36.7Very low87 Ų87140.7 Ų140.772%0.71974%0.742SS**  cis-171.5-163-12.400000110.5
775V38.1Very low36.7Very low151 Ų151139.5 Ų139.592%0.91574%0.744SS**  trans95.8152.5162.1-168.80000117.4
776A36.2Very low36.9Very low101 Ų101143.3 Ų143.384%0.83575%0.752SS**  trans-120173.9-154.400000115.5
777G35.9Very low37.1Very low77 Ų77139.6 Ų139.679%0.79475%0.751SS**  trans-165.549.6-172.800000120.4
778R35.3Very low37.1Very low237 Ų237143.4 Ų143.489%0.89476%0.756SS**  trans19.9140.2150.4-143.1-169.1-169.1168.92.1123.3
779S35.3Very low37.2Very low96 Ų96147.5 Ų147.567%0.67177%0.768SS**  trans70.5156.1145.536.50000120.3
780E37.6Very low37.1Very low139 Ų139143 Ų14365%0.6577%0.765SS**  cis-157.7170.30.6-130.3-168.6124.500114.7
781R38.5Very low37.1Very low175 Ų175144.5 Ų144.566%0.6677%0.769SS**  trans81.7119.1144-81.1175.3-165.5-178.717.8125.9
782H41.7Very low36.9Very low132 Ų132143 Ų14361%0.61176%0.758SS**  78.2148.2123-75.7170.9000121.8
783K39.7Very low36.7Very low151 Ų151147.3 Ų147.366%0.65776%0.76SS**  cis-165165.6-15-133.6167.8-175152.90112.3
784K38.9Very low36.5Very low180 Ų180145.4 Ų145.478%0.78375%0.754SS**  trans70.4123.3162.2-64.6166.2179.7178.80115.5
785S38Very low36.5Very low100 Ų100145.9 Ų145.970%0.69975%0.752SS**  cis85.114243.681.10000113.3
786R37.9Very low36.4Very low218 Ų218144.5 Ų144.582%0.82375%0.75SS**  -167.4135.353.1-135.7-174.7174.7171.4-3.7114.3
787T38.3Very low36.1Very low118 Ų118147 Ų14772%0.72475%0.749SS**  trans55.3162.9135.850.30000124.3
788R34.6Very low36.6Very low212 Ų212147.6 Ų147.680%0.874%0.739SS**  cis162.9135.9-28175.4-177.1-172.6-168.75.4109.1
789K37.8Very low36.5Very low202 Ų202143.9 Ų143.988%0.87873%0.732SS**  trans-177.6161.3134.8-104.8176.5179.8-171.60113.5
790T32.5Very low36.3Very low118 Ų118143.1 Ų143.172%0.72473%0.726SS**  trans-163.6139.7-161.845.40000110.6
791V36.1Very low36.1Very low132 Ų132139.4 Ų139.480%0.872%0.715SS**  trans-153.3129.1164.9-162.40000103.6
792S31.4Very low35.9Very low91 Ų91134.4 Ų134.464%0.63671%0.707SS**  68.4147.957.7-370000113.2
793E34.4Very low35.6Very low160 Ų160136.9 Ų136.975%0.74872%0.719SS**  cis-158172.74.8-130.6143166.800110.8
794E34.7Very low35.3Very low176 Ų176136.8 Ų136.882%0.82272%0.724SS**  trans62.4158.1153.4-70.4176.6123.300122
795S34.5Very low35.1Very low97 Ų97135 Ų13568%0.67872%0.722SS**  cis-164.7175.5-21.658.90000112.4
796S35.2Very low34.8Very low123 Ų123136.7 Ų136.786%0.8672%0.723SS**  trans81.7163.4166.679.70000121.5
797N30.9Very low34.8Very low152 Ų152133.9 Ų133.981%0.81372%0.724SS**  trans-171.1-167-154.8-154.319.8000109.3
798P45.5Very low34.7Very low90 Ų90137.4 Ų137.458%0.58473%0.73SS**  cis-124.3-175.6-48.521.92.2000114.5
799Q33.3Very low34.6Very low160 Ų160138.5 Ų138.575%0.74873%0.734SS**  144.5149.8125.7-80.2-167.2-121.700119.6
800C31.7Very low34.4Very low80 Ų80134.8 Ų134.854%0.54173%0.728SS.*  trans59.2137.2165.3-61.70000120.7
801S32.6Very low34.5Very low60 Ų60137.2 Ų137.242%0.4274%0.736SS.*  cis77.514345370000118F548F548-S801 VanDerWaalsContact CB-CB 3.49Å; F548-S801 VanDerWaalsContact CD1-CB 3.47Å; F548-S801 WeakPolarHBondContact CD1-OG 3.44Å; F548-S801 WeakPolarHBondContact CE1-OG 3.28Å
802S33.5Very low34.3Very low70 Ų70137.5 Ų137.549%0.4973%0.732SS.*  cis174.8131.4-40.445.80000111.3
803E36.8Very low34.6Very low185 Ų185138.8 Ų138.886%0.86474%0.742SS**  trans-179.9173.4158.2-104.4161-15400107.7
804I33.6Very low34.6Very low148 Ų148142.3 Ų142.376%0.75975%0.75SS**  cis-175.5157.9-40.5-100.5-176.5000104.6
805L32.8Very low34.7Very low142 Ų142140.5 Ų140.574%0.74375%0.746SS**  trans-41.9148.5176.9-51.1158.9000114.5
806N32.8Very low34.8Very low137 Ų137144 Ų14473%0.73375%0.751SS**  -160.9166.451.8-80.3-72.4000112.8
807D38.4Very low34.6Very low158 Ų158143.6 Ų143.685%0.84574%0.743SS**  -167.5146.1115.8-107.5-22.3000114.3
808K35.2Very low35Very low192 Ų192145.4 Ų145.484%0.83575%0.747SS**  trans-161.4153.4177.7-85.9-169.4178.5-179.80110.1
809R33.4Very low34.3Very low235 Ų235149.4 Ų149.489%0.88776%0.756SS**  trans74.7158.8-173.3-52.1171168.9157.9-6110.3
810V34.2Very low34.6Very low125 Ų125148.4 Ų148.476%0.75876%0.76SS**  cis-127.3142.715.3178.90000111.2
811L33Very low34.7Very low169 Ų169148.6 Ų148.689%0.88576%0.759SS**  trans-168.186.2146.1-110.9163.6000109.1
812D31.7Very low35.1Very low137 Ų137153.4 Ų153.473%0.73378%0.779SS**  trans-119.4173.1163.7-80.3-59.1000107.4
813S38.7Very low35.3Very low119 Ų119157.2 Ų157.283%0.83279%0.789SS**  trans70.9110.1-175.566.80000116.7
814Y34.3Very low35.4Very low233 Ų233157 Ų15791%0.91479%0.788SS**  trans-116127152.1-120.7-96.4000104.4
815D35.9Very low35.8Very low139 Ų139158.1 Ų158.174%0.74379%0.79SS**  trans-169.1166.5148.9-119.3-36.8000111.8
816H37.9Very low36.2Very low169 Ų169155.9 Ų155.978%0.78279%0.787SS**  trans70.5119.5-172.3-52.9-60000114.9
817T31.4Very low36.1Very low115 Ų115155.2 Ų155.271%0.70679%0.791SS**  cis8789.127.378.40000116.4
818E38.2Very low36Very low190 Ų190151.6 Ų151.689%0.88878%0.783SS**  trans-167.6125.4149.8-102.5158.4-147.100104.6
819F31.8Very low36.1Very low174 Ų174149.3 Ų149.376%0.76379%0.785SS**  cis80.182.740.1-156.5-80.4000114.3T821F819-T821 HydrophobicContact CZ-CG2 4.34Å
820V39.4Very low36.3Very low140 Ų140142 Ų14285%0.84878%0.775SS**  trans-141.2136.2152.6-1790000108.1
821T32.5Very low36.4Very low84 Ų84146.7 Ų146.752%0.51578%0.779SS.*  trans-120.5132.4-179.646.60000111.1F819F819-T821 HydrophobicContact CZ-CG2 4.34Å
822L41.6Very low36.6Very low160 Ų160146.1 Ų146.184%0.83877%0.772SS**  trans-147.1115.1154-66.3176.3000104.1
823E38.8Very low36.8Very low150 Ų150147.3 Ų147.370%0.70177%0.773SS**  68.2104.652.1-59.6-173.6153.600113.3
824E39Very low36.6Very low180 Ų180145.3 Ų145.384%0.84176%0.763SS**  trans65.6153.2134.5-53.4-171.2152.400117.8
825E41.1Very low36.7Very low172 Ų172145.3 Ų145.380%0.80476%0.762SS**  cis-134147.123-67.3177.3134.600111.5
826S42.1Very low36.9Very low96 Ų96144.7 Ų144.767%0.67176%0.762SS**  61.5123.9104.8114.70000117
827C30.3Very low36.7Very low123 Ų123145.2 Ų145.283%0.83176%0.763SS**  71.5143.490.7-79.20000115.1
828A35.6Very low36.9Very low81 Ų81147.6 Ų147.667%0.66977%0.766SS**  cis-164.6-167.5-0.200000110.8
829V37.6Very low37Very low145 Ų145143 Ų14388%0.87976%0.76SS**  trans70.6141156167.60000116.4
830A37.8Very low37.7Very low81 Ų81140.4 Ų140.467%0.66976%0.761SS**  cis-151.2153.1-2100000107.1
831R35.6Very low37.3Very low224 Ų224139.4 Ų139.485%0.84576%0.759SS**  cis79.7132.446.1-135.3-173.1-156.5174.67.5113.5
832Q37.4Very low37.7Very low157 Ų157140.6 Ų140.673%0.73477%0.771SS**  trans69.1153.1172.9-53.7175-96.200114
833E36.5Very low37.5Very low162 Ų162139.1 Ų139.176%0.75777%0.774SS**  cis-177.8161.4-13.1-101.4168.8-13100103.1
834A34.7Very low37.6Very low76 Ų76136.6 Ų136.663%0.62878%0.779SS**  cis-169.9-170.6-13.700000107.7
835R36.1Very low37.6Very low234 Ų234133.5 Ų133.588%0.88377%0.774SS**  trans83.8123156.1-60.2178.7-173.5-165.51.3119.8
836V39.8Very low37.3Very low125 Ų125131.3 Ų131.376%0.75878%0.775SS**  trans88.9105134172.30000119.9
837F34.4Very low37.2Very low181 Ų181131.3 Ų131.379%0.79478%0.775SS**  trans77.5144.5139-86.1-128000123.1
838E35.7Very low38Very low164 Ų164132.4 Ų132.477%0.76677%0.771SS**  trans66.3101.9149.7-74.3177.6-151.500123.6
839A38.4Very low38.6Very low93 Ų93136.6 Ų136.677%0.76978%0.776SS**  77.4157112.700000121.4
840P46.7Very low39.3Very low121 Ų121136.8 Ų136.879%0.78676%0.761SS**  trans-130.6162.1-156.642-25.9000117.3
841C32.4Very low40.3Very low119 Ų119136.2 Ų136.280%0.80475%0.752SS**  trans-169.4110.1151.6-1080000108.7
842S40.2Very low41.8Very low109 Ų109130.8 Ų130.876%0.76274%0.736SS**  65.710972.484.10000116
843S38.1Very low43.4Very low128 Ų128130.1 Ų130.190%0.89573%0.731SS**  trans-137.2154.6158.365.80000109.7
844A41Very low45Very low98 Ų98126.6 Ų126.681%0.8172%0.715SS**  trans-124.2159-148.700000116
845P38.7Very low46.8Very low114 Ų114130.7 Ų130.774%0.7471%0.714SS**  trans-105.6157.8-167.539.5-36000116
846P34.8Very low48.5Very low127 Ų127127.9 Ų127.983%0.82570%0.703SS**SBendtrans-79.2152.3153.634.7-32.5000110.6
847S38.9Very low50.1Low96 Ų96127.6 Ų127.667%0.67169%0.692SS**  cis-143.2142.50.41760000110.2H849 R850S847-H849 PolarHBondContact O-N 2.7Å; S847-R850 PolarHBondContact O-N 2.92Å
848I46.9Very low52.2Low146 Ų146123.3 Ų123.375%0.74967%0.674SS**THydrogen-bonded Turntrans-60-19.7-161.8-64.9165.8000114R850 S851I848-R850 PolarHBondContact O-N 2.96Å; I848-S851 PolarHBondContact O-OG 3.18Å
849H49Very low54.2Low168 Ų168122.6 Ų122.678%0.77867%0.669SS**THydrogen-bonded Turntrans-76.4-13.8-172.4-143.3-54.1000115.3S847S847-H849 PolarHBondContact O-N 2.7Å
850R52.8Low55.8Low150 Ų150125.9 Ų125.957%0.56667%0.665SS**THydrogen-bonded Turntrans-82.5-48.3172.7-75-171.3-175.6177.94.7112.5P140 S847 I848 H852 K853 E854P140-R850 VanDerWaalsContact CG-NH2 3.34Å; S847-R850 PolarHBondContact O-N 2.92Å; I848-R850 PolarHBondContact O-N 2.96Å; R850-H852 VanDerWaalsContact C-N 3.29Å; R850-H852 PolarHBondContact O-N 3Å; R850-K853 WeakPolarHBondContact O-CA 3.46Å; R850-K853 WeakPolarHBondContact O-CB 3.46Å; R850-K853 PolarHBondContact O-N 3.16Å; R850-E854 PolarHBondContact O-N 3.3Å; R850-E854 VanDerWaalsContact O-N 3.12Å
851S57.6Low57.1Low68 Ų68122.4 Ų122.448%0.47665%0.647SS.*Hα-helixtrans-60.4-36.1-174.564.80000112.9I848 K853 E854 R855I848-S851 PolarHBondContact O-OG 3.18Å; S851-K853 VanDerWaalsContact C-N 3.29Å; S851-K853 PolarHBondContact O-N 3.06Å; S851-E854 PolarHBondContact O-N 3.38Å; S851-R855 WeakPolarHBondContact O-CG 3.41Å; S851-R855 PolarHBondContact O-N 2.94Å
852H68.1Low59Low110 Ų110124.9 Ų124.951%0.50964%0.639SS.*Hα-helixtrans-70.9-23176.6-153.1-108.6000113.5R850 R856R850-H852 VanDerWaalsContact C-N 3.29Å; R850-H852 PolarHBondContact O-N 3Å; H852-R856 WeakPolarHBondContact O-CB 3.41Å; H852-R856 PolarHBondContact O-N 3.24Å
853K70.1Confident60.6Low143 Ų143125.9 Ų125.962%0.62263%0.632SS**Hα-helixtrans-76.7-42.3172.3-166.5179-178.1-177.90110.8R850 S851 R856 K857R850-K853 WeakPolarHBondContact O-CA 3.46Å; R850-K853 WeakPolarHBondContact O-CB 3.46Å; R850-K853 PolarHBondContact O-N 3.16Å; S851-K853 VanDerWaalsContact C-N 3.29Å; S851-K853 PolarHBondContact O-N 3.06Å; K853-R856 PolarHBondContact O-N 3.08Å; K853-K857 PolarHBondContact O-N 3.03Å
854E71.2Confident62Low89 Ų89123.3 Ų123.342%0.41661%0.613SS.*Hα-helixtrans-67.2-47.5174.6-64.1-45.9119.500112R850 S851 R856 K857 E858R850-E854 PolarHBondContact O-N 3.3Å; R850-E854 VanDerWaalsContact O-N 3.12Å; S851-E854 PolarHBondContact O-N 3.38Å; E854-R856 PolarHBondContact O-N 2.85Å; E854-R856 VanDerWaalsContact O-N 3.11Å; E854-K857 CarbonylContact O-C 3.49Å; E854-K857 WeakPolarHBondContact O-CA 3.2Å; E854-K857 WeakPolarHBondContact O-CB 3.46Å; E854-K857 PolarHBondContact O-N 3.37Å; E854-K857 WeakPolarHBondContact OE1-CE 3.31Å; E854-K857 IonicContact OE1-NZ 2.89Å; E854-K857 PolarHBondContact OE1-NZ 3.21Å; E854-K857 VanDerWaalsContact OE2-CD 3.3Å; E854-K857 WeakPolarHBondContact OE2-CD 3.37Å; E854-K857 WeakPolarHBondContact OE2-CE 3.33Å; E854-K857 IonicContact OE2-NZ 3.9Å; E854-K857 PolarHBondContact OE2-NZ 3.42Å; E854-E858 WeakPolarHBondContact O-CB 3.48Å; E854-E858 PolarHBondContact O-N 2.97Å
855R71Confident63.4Low161 Ų161126.5 Ų126.561%0.60861%0.609SS**Hα-helixtrans-56.5-30.6172-70.8179.487.2-165.110.7112.4S851 K859S851-R855 WeakPolarHBondContact O-CG 3.41Å; S851-R855 PolarHBondContact O-N 2.94Å; R855-K859 VanDerWaalsContact O-CB 3.26Å; R855-K859 WeakPolarHBondContact O-CB 3.24Å; R855-K859 WeakPolarHBondContact O-CG 3.41Å; R855-K859 PolarHBondContact O-N 2.84Å
856R73.2Confident65Low176 Ų176128.1 Ų128.166%0.66461%0.605SS**Hα-helixtrans-74.2-39.5171.4-92.8-176.6163-179.5-3.1113.5H852 K853 E854 K860H852-R856 WeakPolarHBondContact O-CB 3.41Å; H852-R856 PolarHBondContact O-N 3.24Å; K853-R856 PolarHBondContact O-N 3.08Å; E854-R856 PolarHBondContact O-N 2.85Å; E854-R856 VanDerWaalsContact O-N 3.11Å; R856-K860 WeakPolarHBondContact O-CB 3.39Å; R856-K860 WeakPolarHBondContact O-CG 3.4Å; R856-K860 PolarHBondContact O-N 3.22Å
857K73Confident66.7Low119 Ų119125.1 Ų125.152%0.51758%0.584SS.*Hα-helixtrans-61-49.1170.3-70.5-167.2-156.4150.20110.4K853 E854 K860 A861K853-K857 PolarHBondContact O-N 3.03Å; E854-K857 CarbonylContact O-C 3.49Å; E854-K857 WeakPolarHBondContact O-CA 3.2Å; E854-K857 WeakPolarHBondContact O-CB 3.46Å; E854-K857 PolarHBondContact O-N 3.37Å; E854-K857 WeakPolarHBondContact OE1-CE 3.31Å; E854-K857 IonicContact OE1-NZ 2.89Å; E854-K857 PolarHBondContact OE1-NZ 3.21Å; E854-K857 VanDerWaalsContact OE2-CD 3.3Å; E854-K857 WeakPolarHBondContact OE2-CD 3.37Å; E854-K857 WeakPolarHBondContact OE2-CE 3.33Å; E854-K857 IonicContact OE2-NZ 3.9Å; E854-K857 PolarHBondContact OE2-NZ 3.42Å; K857-K860 CarbonylContact O-C 3.55Å; K857-K860 WeakPolarHBondContact O-CA 3.09Å; K857-K860 WeakPolarHBondContact O-CB 3.46Å; K857-K860 PolarHBondContact O-N 3.38Å; K857-K860 VanDerWaalsContact O-N 3.15Å; K857-A861 WeakPolarHBondContact O-CB 3.42Å; K857-A861 PolarHBondContact O-N 3.23Å
858E77.6Confident68.1Low91 Ų91128.4 Ų128.443%0.42559%0.586SS.*Hα-helixtrans-69.5-42.6-173.1-155-144155.800111.7E854 K860 A861 R862E854-E858 WeakPolarHBondContact O-CB 3.48Å; E854-E858 PolarHBondContact O-N 2.97Å; E858-K860 VanDerWaalsContact C-N 3.3Å; E858-K860 PolarHBondContact O-N 3.14Å; E858-A861 CarbonylContact O-C 3.57Å; E858-A861 PolarHBondContact O-N 2.81Å; E858-A861 VanDerWaalsContact O-N 3.1Å; E858-R862 WeakPolarHBondContact O-CG 3.36Å; E858-R862 PolarHBondContact O-N 3.05Å; E858-R862 IonicContact OE1-CZ 2.81Å; E858-R862 IonicContact OE1-NE 3.36Å; E858-R862 PolarHBondContact OE1-NE 2.83Å; E858-R862 IonicContact OE1-NH2 2.9Å; E858-R862 PolarHBondContact OE1-NH2 2.9Å
859K77.6Confident69.3Low149 Ų149128.8 Ų128.865%0.64858%0.582SS**Hα-helixtrans-57.4-42169.2-80.3-172.7173.4-173.30111.4R855 H863R855-K859 VanDerWaalsContact O-CB 3.26Å; R855-K859 WeakPolarHBondContact O-CB 3.24Å; R855-K859 WeakPolarHBondContact O-CG 3.41Å; R855-K859 PolarHBondContact O-N 2.84Å; K859-H863 VanDerWaalsContact O-CB 3.31Å; K859-H863 WeakPolarHBondContact O-CB 3.4Å; K859-H863 PolarHBondContact O-N 3.14Å
860K73.6Confident70.2Confident161 Ų161126 Ų12670%0.757%0.569SS**Hα-helixtrans-64.5-39.1173.6-76.5-175.7176.1-1700112.6R856 K857 E858 H863 S864R856-K860 WeakPolarHBondContact O-CB 3.39Å; R856-K860 WeakPolarHBondContact O-CG 3.4Å; R856-K860 PolarHBondContact O-N 3.22Å; K857-K860 CarbonylContact O-C 3.55Å; K857-K860 WeakPolarHBondContact O-CA 3.09Å; K857-K860 WeakPolarHBondContact O-CB 3.46Å; K857-K860 PolarHBondContact O-N 3.38Å; K857-K860 VanDerWaalsContact O-N 3.15Å; E858-K860 VanDerWaalsContact C-N 3.3Å; E858-K860 PolarHBondContact O-N 3.14Å; K860-H863 PolarHBondContact O-N 2.85Å; K860-S864 VanDerWaalsContact O-CB 3.24Å; K860-S864 WeakPolarHBondContact O-CB 3.36Å; K860-S864 PolarHBondContact O-N 3.46Å
861A73.3Confident70.9Confident48 Ų48126.5 Ų126.540%0.39758%0.576SS.*Hα-helixtrans-66.6-45.9177.100000111.9K857 E858 S864 K865K857-A861 WeakPolarHBondContact O-CB 3.42Å; K857-A861 PolarHBondContact O-N 3.23Å; E858-A861 CarbonylContact O-C 3.57Å; E858-A861 PolarHBondContact O-N 2.81Å; E858-A861 VanDerWaalsContact O-N 3.1Å; A861-S864 PolarHBondContact O-N 3.25Å; A861-K865 WeakPolarHBondContact O-CB 2.94Å; A861-K865 WeakPolarHBondContact O-CG 3.2Å; A861-K865 PolarHBondContact O-N 3.43Å
862R73.1Confident71.4Confident171 Ų171131.5 Ų131.565%0.64559%0.589SS**Hα-helixtrans-61.5-42.7173.2-69.2-169.4-173.3-1394.4111.3E858 S864 K865 K866E858-R862 WeakPolarHBondContact O-CG 3.36Å; E858-R862 PolarHBondContact O-N 3.05Å; E858-R862 IonicContact OE1-CZ 2.81Å; E858-R862 IonicContact OE1-NE 3.36Å; E858-R862 PolarHBondContact OE1-NE 2.83Å; E858-R862 IonicContact OE1-NH2 2.9Å; E858-R862 PolarHBondContact OE1-NH2 2.9Å; R862-S864 PolarHBondContact O-N 3.36Å; R862-K865 PolarHBondContact O-N 3.27Å; R862-K866 WeakPolarHBondContact O-CB 3.22Å; R862-K866 PolarHBondContact O-N 2.78Å
863H73.2Confident71.5Confident131 Ų131132.3 Ų132.361%0.60659%0.593SS**Hα-helixtrans-69.1-33178.1-142.5-47.1000113.2K859 K860 T867K859-H863 VanDerWaalsContact O-CB 3.31Å; K859-H863 WeakPolarHBondContact O-CB 3.4Å; K859-H863 PolarHBondContact O-N 3.14Å; K860-H863 PolarHBondContact O-N 2.85Å; H863-T867 WeakPolarHBondContact O-CG2 3.48Å; H863-T867 PolarHBondContact O-N 3.35Å; H863-T867 PolarHBondContact O-OG1 3.34Å
864S67Low71.3Confident73 Ų73133 Ų13351%0.5160%0.596SS.*Hα-helixtrans-70.3-44.3172.2-176.10000111.7K860 A861 R862 K866 T867 K868K860-S864 VanDerWaalsContact O-CB 3.24Å; K860-S864 WeakPolarHBondContact O-CB 3.36Å; K860-S864 PolarHBondContact O-N 3.46Å; A861-S864 PolarHBondContact O-N 3.25Å; R862-S864 PolarHBondContact O-N 3.36Å; S864-K866 PolarHBondContact O-N 3.49Å; S864-T867 PolarHBondContact O-OG1 2.91Å; S864-K868 VanDerWaalsContact O-CB 3.22Å; S864-K868 WeakPolarHBondContact O-CB 2.96Å; S864-K868 PolarHBondContact O-N 3.29Å
865K70.9Confident70.9Confident166 Ų166136.7 Ų136.772%0.72261%0.61SS**Hα-helixtrans-60.5-43.7172-75.3-176.5178.5-1770111.3A861 R862 K868 K869A861-K865 WeakPolarHBondContact O-CB 2.94Å; A861-K865 WeakPolarHBondContact O-CG 3.2Å; A861-K865 PolarHBondContact O-N 3.43Å; R862-K865 PolarHBondContact O-N 3.27Å; K865-K868 PolarHBondContact O-N 2.66Å; K865-K869 WeakPolarHBondContact O-CB 3.23Å; K865-K869 PolarHBondContact O-N 2.98Å
866K71.4Confident70.7Confident148 Ų148135.6 Ų135.664%0.64361%0.61SS**Hα-helixtrans-63-53.1178.1-165.1171.3-177.1178.30111.4R862 S864 K868 K869 E870R862-K866 WeakPolarHBondContact O-CB 3.22Å; R862-K866 PolarHBondContact O-N 2.78Å; S864-K866 PolarHBondContact O-N 3.49Å; K866-K868 VanDerWaalsContact C-N 3.29Å; K866-K868 PolarHBondContact O-N 2.76Å; K866-K869 PolarHBondContact O-N 3.25Å; K866-E870 VanDerWaalsContact O-CB 3.27Å; K866-E870 WeakPolarHBondContact O-CB 3.24Å; K866-E870 PolarHBondContact O-N 3.2Å
867T72.1Confident70.1Confident64 Ų64134 Ų13439%0.39361%0.608SS.*Hα-helixtrans-64.1-30178.253.50000113.4H863 S864 K871H863-T867 WeakPolarHBondContact O-CG2 3.48Å; H863-T867 PolarHBondContact O-N 3.35Å; H863-T867 PolarHBondContact O-OG1 3.34Å; S864-T867 PolarHBondContact O-OG1 2.91Å; T867-K871 WeakPolarHBondContact O-CB 3.45Å; T867-K871 PolarHBondContact O-N 3.36Å
868K66.8Low69.3Low164 Ų164131.5 Ų131.571%0.71361%0.606SS**Hα-helixtrans-72.5-39.9173.1-165.6174.7-176.8-178.50112.5S864 K865 K866 K872S864-K868 VanDerWaalsContact O-CB 3.22Å; S864-K868 WeakPolarHBondContact O-CB 2.96Å; S864-K868 PolarHBondContact O-N 3.29Å; K865-K868 PolarHBondContact O-N 2.66Å; K866-K868 VanDerWaalsContact C-N 3.29Å; K866-K868 PolarHBondContact O-N 2.76Å; K868-K872 PolarHBondContact O-N 3.31Å; K868-K872 VanDerWaalsContact O-N 3.1Å
869K71.6Confident68.3Low155 Ų155134.9 Ų134.967%0.67462%0.619SS**Hα-helixtrans-67.2-39.9173.5-164.9174.5-176.9-179.10110.9K865 K866 K872 H873K865-K869 WeakPolarHBondContact O-CB 3.23Å; K865-K869 PolarHBondContact O-N 2.98Å; K866-K869 PolarHBondContact O-N 3.25Å; K869-K872 WeakPolarHBondContact O-CB 3.23Å; K869-K872 PolarHBondContact O-N 3.45Å; K869-H873 PolarHBondContact O-N 3.39Å
870E69.6Low67.4Low108 Ų108131.9 Ų131.951%0.50561%0.61SS.*Hα-helixtrans-66.9-45.1176.9-164.9-173.213700112.5K866 K872 H873 K874K866-E870 VanDerWaalsContact O-CB 3.27Å; K866-E870 WeakPolarHBondContact O-CB 3.24Å; K866-E870 PolarHBondContact O-N 3.2Å; E870-K872 VanDerWaalsContact C-N 3.27Å; E870-K872 PolarHBondContact O-N 3.31Å; E870-H873 PolarHBondContact O-N 3.21Å; E870-H873 VanDerWaalsContact O-N 3.14Å; E870-K874 WeakPolarHBondContact O-CB 3.48Å; E870-K874 PolarHBondContact O-N 3.32Å
871K66.8Low66.4Low162 Ų162133 Ų13370%0.70462%0.615SS**Hα-helixtrans-62-32.2170.9-82.6-170173.8-177.10112.5T867 K875T867-K871 WeakPolarHBondContact O-CB 3.45Å; T867-K871 PolarHBondContact O-N 3.36Å; K871-K875 WeakPolarHBondContact O-CB 3.38Å; K871-K875 PolarHBondContact O-N 3.31Å; K871-K875 VanDerWaalsContact O-N 3.1Å
872K68.8Low65.4Low172 Ų172139.3 Ų139.375%0.74864%0.636SS**Hα-helixtrans-65.5-47170.1-115.8-169.3176.3-1690111.5K868 K869 E870 K875 K876K868-K872 PolarHBondContact O-N 3.31Å; K868-K872 VanDerWaalsContact O-N 3.1Å; K869-K872 WeakPolarHBondContact O-CB 3.23Å; K869-K872 PolarHBondContact O-N 3.45Å; E870-K872 VanDerWaalsContact C-N 3.27Å; E870-K872 PolarHBondContact O-N 3.31Å; K872-K875 PolarHBondContact O-N 2.98Å; K872-K876 PolarHBondContact O-N 2.91Å
873H69.3Low64Low127 Ų127135.3 Ų135.359%0.58863%0.634SS**Hα-helixtrans-63.3-44177.7-111.2-91.5000112.7K869 E870 K875 K876 K877K869-H873 PolarHBondContact O-N 3.39Å; E870-H873 PolarHBondContact O-N 3.21Å; E870-H873 VanDerWaalsContact O-N 3.14Å; H873-K875 VanDerWaalsContact C-N 3.34Å; H873-K875 PolarHBondContact O-N 2.84Å; H873-K876 PolarHBondContact O-N 3.45Å; H873-K876 VanDerWaalsContact O-N 3.17Å; H873-K877 WeakPolarHBondContact O-CB 3.1Å; H873-K877 PolarHBondContact O-N 3.16Å
874K66.9Low62.5Low159 Ų159132.9 Ų132.969%0.69163%0.632SS**Hα-helixtrans-67.1-34.7179.7-153.4163.4-171.7168.80111.8E870 S878E870-K874 WeakPolarHBondContact O-CB 3.48Å; E870-K874 PolarHBondContact O-N 3.32Å; K874-S878 WeakPolarHBondContact O-CB 3.22Å; K874-S878 PolarHBondContact O-N 2.84Å; K874-S878 PolarHBondContact O-OG 3.08Å
875K61.9Low61.3Low165 Ų165137.3 Ų137.372%0.71765%0.65SS**Hα-helixtrans-73.8-25.4171.8-170.8166.9-177.5176.10113.8K871 K872 H873 S878 K879K871-K875 WeakPolarHBondContact O-CB 3.38Å; K871-K875 PolarHBondContact O-N 3.31Å; K871-K875 VanDerWaalsContact O-N 3.1Å; K872-K875 PolarHBondContact O-N 2.98Å; H873-K875 VanDerWaalsContact C-N 3.34Å; H873-K875 PolarHBondContact O-N 2.84Å; K875-S878 WeakPolarHBondContact CA-OG 3.21Å; K875-S878 PolarHBondContact O-OG 3.03Å; K875-S878 VanDerWaalsContact O-OG 3.13Å; K875-K879 PolarHBondContact O-N 3.42Å
876K66.5Low59.9Low139 Ų139136.2 Ų136.260%0.60466%0.657SS**Hα-helixtrans-74.8-53.2169.8-167.3177.4175.4-179.10110.7K872 H873 S878 K879 D880K872-K876 PolarHBondContact O-N 2.91Å; H873-K876 PolarHBondContact O-N 3.45Å; H873-K876 VanDerWaalsContact O-N 3.17Å; K876-S878 PolarHBondContact O-N 3.28Å; K876-S878 VanDerWaalsContact O-N 3.07Å; K876-K879 PolarHBondContact O-N 3.07Å; K876-D880 WeakPolarHBondContact CG-OD2 3.5Å; K876-D880 VanDerWaalsContact O-CG 3.25Å; K876-D880 PolarHBondContact O-N 3.43Å
877K61Low58.4Low142 Ų142137.7 Ų137.762%0.61766%0.664SS**Hα-helixtrans-60.1-20.6177.6-154.5175-174.2-178.40113.3H873H873-K877 WeakPolarHBondContact O-CB 3.1Å; H873-K877 PolarHBondContact O-N 3.16Å
878S57.3Low56.9Low67 Ų67144 Ų14447%0.46969%0.686SS.*Hα-helixtrans-84.1-27.817070.90000114.4K874 K875 K876K874-S878 WeakPolarHBondContact O-CB 3.22Å; K874-S878 PolarHBondContact O-N 2.84Å; K874-S878 PolarHBondContact O-OG 3.08Å; K875-S878 WeakPolarHBondContact CA-OG 3.21Å; K875-S878 PolarHBondContact O-OG 3.03Å; K875-S878 VanDerWaalsContact O-OG 3.13Å; K876-S878 PolarHBondContact O-N 3.28Å; K876-S878 VanDerWaalsContact O-N 3.07Å
879K56.5Low55.7Low162 Ų162143.6 Ų143.670%0.70469%0.692SS**Hα-helixtrans-77.5-42.9174.1-163.6-179.4-177.4-171.20110.5K875 K876 K881 Q882K875-K879 PolarHBondContact O-N 3.42Å; K876-K879 PolarHBondContact O-N 3.07Å; K879-K881 PolarHBondContact O-N 2.87Å; K879-K881 VanDerWaalsContact O-N 3.16Å; K879-Q882 PolarHBondContact O-N 3.08Å
880D57Low54.3Low85 Ų85145.7 Ų145.746%0.45570%0.701SS.*G310 helixtrans-65.2-17.5179.7-54.6-18.7000112.8K876K876-D880 WeakPolarHBondContact CG-OD2 3.5Å; K876-D880 VanDerWaalsContact O-CG 3.25Å; K876-D880 PolarHBondContact O-N 3.43Å
881K54.3Low52.9Low185 Ų185151.9 Ų151.980%0.80472%0.719SS**G310 helixtrans-99.714.7178.8-143.6-172.7-177.5-169.80114.7K879K879-K881 PolarHBondContact O-N 2.87Å; K879-K881 VanDerWaalsContact O-N 3.16Å
882Q51.5Low51.7Low181 Ų181153.2 Ų153.285%0.84673%0.725SS**G310 helixtrans-118.414.6167.1-73-169.4-6700112.6K879K879-Q882 PolarHBondContact O-N 3.08Å
883S44.5Very low50.3Low87 Ų87152.5 Ų152.561%0.60872%0.724SS**SBendtrans-151.568.6-176.763.80000113.3
884S40.5Very low48.7Very low80 Ų80157 Ų15756%0.55974%0.736SS**  trans-160.430.7164.860.10000116.2
885D42.7Very low47.2Very low166 Ų166159.8 Ų159.889%0.88874%0.744SS**SBendtrans-121.2118.3145.4-73.3-60.4000104.4
886T41.7Very low45.8Very low142 Ų142156.2 Ų156.287%0.87174%0.74SS**SBendcis-107162.22054.30000114.5
887K38.2Very low44.3Very low180 Ų180157 Ų15778%0.78375%0.745SS**  trans-161.295.9-177.1-174.7-178.6-178.7179.20113.8
888K42.4Very low43.1Very low195 Ų195157.1 Ų157.185%0.84875%0.748SS**  trans-169151.5163.8-115.2167.8-176.4179.10113.3
889N40.9Very low42Very low157 Ų157157.6 Ų157.684%0.8475%0.751SS**  trans64.9138.4174.6-56-14.1000114.8
890K41.1Very low41.3Very low199 Ų199158.5 Ų158.587%0.86576%0.755SS**  cis-128.3163-1.5-99.7175.1-179.61760107.6
891R41Very low40.2Very low237 Ų237161.4 Ų161.489%0.89477%0.77SS**  cis68.3114.211.3-92.8-174.5169.5-164.3-3.2116.6
892K42.6Very low39.2Very low190 Ų190159.6 Ų159.683%0.82677%0.768SS**  cis-108.3-156.91.9-58.5-179.7174.2-178.30110.7
893H39.4Very low38.6Very low157 Ų157157 Ų15773%0.72776%0.764SS**  cis-153.4-158.6-11-150.2-127.1000112
894R34.1Very low38.2Very low221 Ų221160.8 Ų160.883%0.83478%0.777SS**  trans-147.9153.8165-83.8177164.6-177-6.9110
895Y36.3Very low38.3Very low219 Ų219160.9 Ų160.986%0.85978%0.782SS**  trans174.6141.5145.2-113.9-120.8000105.1
896S31.9Very low38.2Very low90 Ų90161.7 Ų161.763%0.62978%0.78SS**  cis100.2138.332.2-155.90000112.8
897H36.4Very low38.5Very low154 Ų154162.5 Ų162.571%0.71378%0.778SS**  trans61.9164.6-169.5-78.7-102.7000117
898E35.3Very low39Very low146 Ų146159.4 Ų159.468%0.68278%0.776SS**  cis167.3129.1-39.7173.2-175.2-116.800109.1
899S33.9Very low39.2Very low77 Ų77157 Ų15754%0.53877%0.768SS.*  trans64.9156.7166.478.50000119.2
900K40.9Very low39.2Very low180 Ų180155.1 Ų155.178%0.78376%0.762SS**  trans67.4111.7164.5-63.2144.8-167.61580115.1
901L34.1Very low39.1Very low147 Ų147151.6 Ų151.677%0.7775%0.752SS**  90.3115.963.5-81.9173.6000113.2
902L33.4Very low38.9Very low147 Ų147146 Ų14677%0.7774%0.739SS**  trans73.6157.8147.7-63.1168000120.5
903T38.6Very low38.6Very low125 Ų125142.3 Ų142.377%0.76774%0.737SS**  trans59.5117.4175.244.70000115.4
904I37.2Very low38.6Very low168 Ų168140 Ų14086%0.86273%0.734SS**  cis57.79246.4-46.7176.2000112.1
905A41.5Very low38.6Very low82 Ų82137.7 Ų137.768%0.67873%0.733SS**  trans-164.3134.614700000111.6
906E41.6Very low38.6Very low182 Ų182138.1 Ų138.185%0.8573%0.733SS**  trans55.191.9139.9-70.9150.2-151.500121
907I47.9Very low38.7Very low160 Ų160139.1 Ų139.182%0.82174%0.735SS**  trans-65.4138.8141.7-55.9157.7000108.4
908P48.5Very low38.5Very low114 Ų114137.2 Ų137.274%0.7474%0.735SS**  -143162.8125.935.5-22.4000114
909H46.7Very low38.4Very low146 Ų146139.8 Ų139.868%0.67674%0.738SS**  cis-173.9-167.9-30.3-161.1-102000106.8
910V40.4Very low38.5Very low117 Ų117143.3 Ų143.371%0.70975%0.746SS**  trans79.397.3165-167.10000113.4
911L39.9Very low38.3Very low125 Ų125139.8 Ų139.865%0.65474%0.744SS**  66.7144.571.1-58.1-174000112
912D36.1Very low38.5Very low119 Ų119137.7 Ų137.764%0.63674%0.742SS**  cis-150.9-167.8-7.2-126.7-32.2000107.5
913S37.8Very low38.8Very low112 Ų112137.8 Ų137.878%0.78374%0.741SS**  cis-151.9160.533.4-55.60000113.9
914T38.9Very low38.7Very low109 Ų109136.3 Ų136.367%0.66974%0.736SS**  trans-74.4178.2178.1590000114.4
915E34.5Very low38.7Very low172 Ų172135.5 Ų135.580%0.80473%0.733SS**  trans-45.1155.3151.2-53.4170.2116.100112.1
916W34.5Very low38.7Very low228 Ų228138 Ų13886%0.86474%0.74SS**  trans170.2123.9132.2-91103.9000110
917V34.3Very low38.9Very low111 Ų111140 Ų14067%0.67374%0.741SS**  trans61104.4148.7166.50000120.6
918V33.1Very low39.1Very low115 Ų115137.7 Ų137.770%0.69774%0.737SS**  73.1135.6128.9176.80000121
919R33.1Very low38.8Very low200 Ų200139.7 Ų139.776%0.75574%0.741SS**  trans85.7112.7158.4-88.9-173.5161.3967122.2
920E35.2Very low38.6Very low150 Ų150140.5 Ų140.570%0.70175%0.745SS**  58.8108.8121.4-63.6176.813500121.3
921S37.3Very low39.3Very low107 Ų107140 Ų14075%0.74874%0.744SS**  trans72.7112.2138.456.90000123.7
922S38.4Very low39.2Very low103 Ų103138.5 Ų138.572%0.7275%0.749SS**  86.1146.612078.60000124.2
923I38.4Very low39.5Very low149 Ų149138.9 Ų138.976%0.76476%0.762SS**  trans82.7101.1152.1-68159000121.4
924S36.6Very low39.7Very low94 Ų94138.4 Ų138.466%0.65776%0.758SS**  51.4139.5122.6-37.90000127.4
925D38.2Very low39.8Very low150 Ų150140.1 Ų140.180%0.80277%0.769SS**  103.2131.9127.2-78.5-31.3000126.5
926V42.3Very low39.9Very low135 Ų135135.2 Ų135.282%0.81877%0.765SS**  trans88.3148.7144.6169.50000123.8
927Y44Very low40.3Very low223 Ų223133.1 Ų133.188%0.87577%0.769SS**  trans-132.5158.4-176.5-99.5-90.8000111.2
928P53.4Low40.6Very low113 Ų113133.1 Ų133.173%0.73477%0.774SS**  -162.7139.2121.636.6-14.8000122.2
929L42.5Very low40.8Very low156 Ų156132.3 Ų132.382%0.81778%0.78SS**  58.2127122-55.4173.8000129.1
930E41.5Very low41.1Very low162 Ų162127.5 Ų127.576%0.75778%0.782SS**  81.7-179124.4-64.6-69.8104.800123.7
931P55.2Low41.3Very low107 Ų107124.3 Ų124.370%0.69578%0.782SS**  -145.7-166.3-85.647-27.2000119.6
932A38.7Very low41.6Very low93 Ų93125.4 Ų125.477%0.76978%0.784SS**  trans118.2159.5141.800000122.9
933S41.4Very low41.7Very low128 Ų128127.8 Ų127.890%0.89578%0.783SS**  trans127.8176.3165.771.80000118
934S42.7Very low41.7Very low101 Ų101128.3 Ų128.371%0.70679%0.785SS**  trans-163.1170.9-150.159.70000120.1
935T40.5Very low42.2Very low145 Ų145131.4 Ų131.489%0.8979%0.789SS**  trans71.3155159.351.90000120.7
936G37.6Very low42.9Very low70 Ų70129.3 Ų129.372%0.72278%0.783SS**  cis-179.5-163.7-1.200000115
937L41.8Very low42.8Very low183 Ų183126.9 Ų126.996%0.95878%0.777SS**  trans92.4162.7171.2-58.7175.8000121.3
938S40.2Very low42.5Very low112 Ų112122.7 Ų122.778%0.78378%0.775SS**  trans-158-169.2-140.562.30000117.5
939A38.3Very low41.9Very low98 Ų98121.8 Ų121.881%0.8177%0.771SS**  trans77.6161.4-179.800000114.8
940A39.2Very low41.7Very low98 Ų98123 Ų12381%0.8177%0.77SS**  cis-164.8174-1000000107.4
941A38.5Very low41.4Very low84 Ų84125.2 Ų125.269%0.69477%0.771SS**  cis-170.6-178.8-24.300000107.7
942V44.2Very low40.5Very low130 Ų130126 Ų12679%0.78877%0.774SS**  trans68.7145.5167.5-179.20000115.2
943E41.1Very low40.3Very low152 Ų152125.8 Ų125.871%0.7177%0.766SS**  cis-162.1-172.7-35.4-110.9166.3-9700106.8
944M38.9Very low39.9Very low160 Ų160125 Ų12579%0.78876%0.761SS**  cis-148.8-153.410-146.2-174.3-164.500110.8
945E46Very low39.5Very low160 Ų160124.9 Ų124.975%0.74876%0.76SS**  trans-155.1-174.3-169.9-105-73.3102.900109.4
946P53.4Low39.2Very low105 Ų105123.6 Ų123.668%0.68276%0.757SS**  cis-137.7-174.4-3.734.9-12.5000117.7
947A39.4Very low39Very low84 Ų84123.4 Ų123.469%0.69476%0.755SS**  trans81.1148.4139.900000120.8
948V38.6Very low38.6Very low135 Ų135122.1 Ų122.182%0.81875%0.749SS**  cis-147.6158.5-6.11090000113.7
949S39.8Very low38.1Very low94 Ų94127.8 Ų127.866%0.65775%0.753SS**  trans-83.4168.2-172.2-8.10000116.2
950K39.6Very low37.8Very low182 Ų182127 Ų12779%0.79174%0.741SS**  trans150.8152134.2-83.5161.1-169.8175.50112.7
951R35Very low37.6Very low209 Ų209129.4 Ų129.479%0.78974%0.741SS**  cis-177.7154.6-27.1-117.4-172.5-158.1-167.83.9108.9
952V36.3Very low37.3Very low124 Ų124133.1 Ų133.175%0.75275%0.748SS**  trans66147.1142.6167.10000118.7
953S34Very low37.1Very low87 Ų87131.5 Ų131.561%0.60874%0.74SS**  cis-175.3171-24.8-83.10000108.7
954S32.4Very low36.9Very low113 Ų113133.8 Ų133.879%0.7975%0.748SS**  trans67154.4150.631.30000118.9
955S34Very low36.8Very low98 Ų98131.2 Ų131.269%0.68575%0.746SS**  cis-169.5173.9-13.749.80000111.5
956S35.5Very low36.3Very low117 Ų117127.6 Ų127.682%0.81873%0.734SS**  trans68.3153143.555.10000122
957G33.4Very low35.5Very low67 Ų67126.3 Ų126.369%0.69172%0.722SS**  trans100.488.6168.800000114.1
958L32.9Very low35.4Very low155 Ų155129.9 Ų129.981%0.81272%0.721SS**  66.6120.258.7-63.2175000115.9
959R30.7Very low35.5Very low231 Ų231128.2 Ų128.287%0.87271%0.713SS**  trans64.8162.5147.3-70.3178.4177.7-137.12.2117.3
960S31.5Very low35.4Very low82 Ų82131.5 Ų131.557%0.57372%0.723SS**  cis-160.2-178.8-35.444.60000109.1
961D34.8Very low35.5Very low148 Ų148128.7 Ų128.779%0.79172%0.723SS**  trans80.8147.6153.7-49.5-46.3000122.8
962L31.8Very low35.7Very low163 Ų163123.8 Ų123.885%0.85372%0.721SS**  trans-106.9-166.3170.9-124.175000106.8
963P40.7Very low35.9Very low96 Ų96127 Ų12762%0.62373%0.725SS**  cis-139.8-151.5-328.2-0.2000113.4
964K36.3Very low36.1Very low199 Ų199129.8 Ų129.887%0.86574%0.738SS**  trans94.1168.9148.4-75.6166.4-178.4178.70119.9
965S36.6Very low36.3Very low107 Ų107127.6 Ų127.675%0.74873%0.733SS**  trans-144.8179.2-145.449.20000112.9
966V36.3Very low36.3Very low84 Ų84129 Ų12951%0.50974%0.737SS.*  trans149.4110.6136.8167.60000115.5
967D36.2Very low36.5Very low78 Ų78129.2 Ų129.242%0.41774%0.736SS.*  trans47.8163.7140.7-80.1-43.8000129.4V1075D967-V1075 VanDerWaalsContact CB-CA 3.42Å; D967-V1075 HydrophobicContact CB-CB 4.5Å; D967-V1075 HydrophobicContact CB-CG2 4.3Å; D967-V1075 PolarHBondContact OD2-N 3.46Å
968K38.1Very low36.6Very low158 Ų158130.8 Ų130.869%0.68774%0.736SS**  trans-80-168.4-169.8-53.7169.6-177.7167.80116.4S1077K968-S1077 PolarHBondContact O-OG 2.78Å
969P40Very low36.9Very low100 Ų100131.9 Ų131.965%0.64973%0.734SS**  -149.3-176.496.635.9-13.9000116.2S1077P969-S1077 WeakPolarHBondContact CD-OG 3.32Å
970L38.3Very low37.1Very low163 Ų163127.9 Ų127.985%0.85373%0.73SS**  trans-145.5151.7172.1-90.3172000110.6
971P41.4Very low37.3Very low124 Ų124128.4 Ų128.481%0.80573%0.734SS**  trans-117-177.6164.337.6-25.9000114.2
972S38.6Very low37.4Very low105 Ų105127.8 Ų127.873%0.73474%0.735SS**  trans-157.6-172.5-147.958.20000115.8
973K41.8Very low37.5Very low193 Ų193124.3 Ų124.384%0.83972%0.724SS**  trans87.2151.1171-56.9-179.9179.5179.60116.2
974V37.3Very low37.4Very low144 Ų144124.7 Ų124.787%0.87373%0.73SS**  cis-165.2156.3-9.6127.70000110.1
975G36.1Very low37.4Very low67 Ų67127 Ų12769%0.69173%0.733SS**  trans139.2134.2156.500000118.1
976V33.4Very low37.8Very low127 Ų127127.3 Ų127.377%0.7773%0.732SS**  trans-153.4123.7-179.9171.60000110.5
977P41Very low37.9Very low123 Ų123130 Ų13080%0.79975%0.749SS**  -132.617299.79.613.8000112.5
978S34.5Very low38Very low99 Ų99130.9 Ų130.969%0.69277%0.767SS**  cis95.410411.6-163.30000118.4
979K39.5Very low37.8Very low178 Ų178127.6 Ų127.677%0.77477%0.769SS**  163.9134.4128.5-91170.3-176.5179.50113.6
980N35.3Very low38.1Very low147 Ų147128.1 Ų128.179%0.78677%0.772SS**  trans58.5153.8139.7-60.311.1000120.6
981S35.2Very low38.1Very low93 Ų93127.6 Ų127.665%0.6577%0.769SS**  cis-179160.5-1954.10000110
982V37Very low38Very low136 Ų136125.9 Ų125.982%0.82476%0.76SS**  trans68.4145.5155.5163.70000116.9
983S34.9Very low37.9Very low89 Ų89127.5 Ų127.562%0.62276%0.761SS**  cis-164.6-178.6-27.768.20000111
984S38.2Very low37.9Very low105 Ų105127.1 Ų127.173%0.73476%0.759SS**  trans66.991.9146-54.60000122
985R36.5Very low38.1Very low248 Ų248126.8 Ų126.894%0.93675%0.752SS**  45.5159.5109.2-86.3-173141.1-163.6-6.2123.1
986P45.2Very low38.3Very low113 Ų113131.6 Ų131.673%0.73476%0.756SS**  trans-107.1-179.1-163.943.4-37.6000114.6
987V38.1Very low38.6Very low140 Ų140129.7 Ų129.785%0.84875%0.749SS**  trans-164.4150149.3121.80000114.7
988A36.9Very low38.7Very low97 Ų97133.4 Ų133.480%0.80275%0.752SS**  trans57146.3157.100000124.7
989A35Very low38.7Very low89 Ų89135.7 Ų135.774%0.73676%0.757SS**  trans-123.9-163.1149.900000106.1
990P45.5Very low38.4Very low110 Ų110133 Ų13371%0.71476%0.76SS**  cis-131.3-153.2-15.130.7-6.1000111.8
991L38.5Very low38.5Very low152 Ų152129.2 Ų129.280%0.79676%0.756SS**  trans117.4125.3146.6-66169000120.6
992S39Very low38.3Very low88 Ų88133.1 Ų133.162%0.61576%0.764SS**  trans75.6128.8133.7-79.70000124.6
993D37.7Very low38.3Very low139 Ų139134.6 Ų134.674%0.74376%0.761SS**  trans51.5119.9132.7-46.6-42.6000119.3
994K41.3Very low38.2Very low185 Ų185134.8 Ų134.880%0.80476%0.763SS**  -168.1160.174-91.4172.3-177.7170.60113.6
995L41.8Very low38.1Very low137 Ų137138.8 Ų138.872%0.71777%0.767SS**  25.4145.7129.6-47.1172.9000118.8
996Q40.4Very low37.8Very low168 Ų168133.5 Ų133.579%0.78575%0.753SS**  cis-163.6163.624.4-140.7156.70.300113.4
997S38.5Very low37.1Very low87 Ų87137.7 Ų137.761%0.60875%0.754SS**  trans-20.2145.3167.557.80000121.2
998K43.2Very low36.9Very low202 Ų202142.3 Ų142.388%0.87876%0.756SS**  -165.8169.6109.6-100.9160.9-174179.60112.3
999N35.6Very low36.7Very low146 Ų146140.9 Ų140.978%0.78175%0.75SS**  trans-116.3176.3-161-60.8-22.3000113.9
1000S33.6Very low36.9Very low122 Ų122143.1 Ų143.185%0.85376%0.755SS**  trans72.6154148.253.70000120.5
1001G35.5Very low36.4Very low67 Ų67144.6 Ų144.669%0.69176%0.757SS**  trans84.298.5-174.800000111.8
1002E31.3Very low36.4Very low176 Ų176145.8 Ų145.882%0.82276%0.758SS**  cis70.9139.737.3-57.6-162.2100.400116
1003H37.5Very low36.2Very low166 Ų166149.3 Ų149.377%0.76977%0.765SS**  trans59.9123.8-174.3-67-88.7000116.6
1004S32.6Very low36.2Very low93 Ų93151.8 Ų151.865%0.6577%0.769SS**  cis80.282.436.4-165.70000115.1
1005K36.5Very low35.8Very low189 Ų189153.5 Ų153.582%0.82277%0.77SS**  -176.2137.4118.6-85.9140.8-165.11750108.4
1006H31.2Very low35.6Very low138 Ų138158 Ų15864%0.63978%0.778SS**  cis89.3100.832.6-169.8-115.6000114.1
1007R30.4Very low35.1Very low201 Ų201155.3 Ų155.376%0.75878%0.777SS**  trans63135.8169.2-46.2179.1-172.4-175.41.9116.4
1008R32.7Very low34.9Very low237 Ų237161.9 Ų161.989%0.89479%0.789SS**  -172.216575.2-117.7164.3-75.7-152.7-0.6112.6
1009G33.7Very low34.6Very low66 Ų66159.9 Ų159.968%0.6878%0.78SS**  trans89.1147.8161.400000115.2
1010V38.6Very low34.5Very low137 Ų137158.9 Ų158.983%0.8377%0.774SS**  cis-137.8150-12.7-174.40000108.5
1011D34.3Very low34.6Very low141 Ų141157.9 Ų157.975%0.75477%0.767SS**  trans-50.3157.9167.8-48.3-103.7000112.9
1012E39.4Very low34.4Very low176 Ų176161.1 Ų161.182%0.82277%0.774SS**  -160.7139.9104.5-165.7161.2122.200111.8
1013H34.8Very low34.6Very low163 Ų163157 Ų15776%0.75577%0.771SS**  trans-72.7125.7169.3-86.1-84.3000111.6
1014K38.2Very low34.3Very low190 Ų190154.3 Ų154.383%0.82677%0.77SS**  trans-122.596.4152.2-146.6111.6-169.7176.40112.4R1016K1014-R1016 PolarHBondContact O-N 2.94Å
1015R33Very low34.3Very low221 Ų221155.9 Ų155.983%0.83477%0.77SS**  trans-61.2124.9173.1-61173.1177-178.5-2.5111
1016R36.7Very low34.2Very low233 Ų233154.3 Ų154.388%0.87977%0.771SS**  trans-170.5101.3151.7-96.3142.8-163.8-121.52.5105.8K1014K1014-R1016 PolarHBondContact O-N 2.94Å
1017S30.8Very low34.3Very low111 Ų111156.6 Ų156.678%0.77677%0.774SS**  56.782.152.6-1640000112.8
1018R34.4Very low34.5Very low225 Ų225152.9 Ų152.985%0.84977%0.765SS**  trans-163.7112.4141.4-99.6148-168.8-132.2-1.5106.8
1019K36.5Very low34.6Very low160 Ų160149 Ų14970%0.69676%0.757SS**  90.5118.489.4-81.5-163160.5-82.70110.1
1020D32.7Very low34.8Very low124 Ų124152.1 Ų152.166%0.66376%0.762SS**  68.3132.299.5-45.9-14000111
1021S36.5Very low34.7Very low101 Ų101152 Ų15271%0.70675%0.751SS**  cis-150165.717.548.80000109.6
1022T31.8Very low34.8Very low136 Ų136152.1 Ų152.183%0.83475%0.747SS**  cis74.563.224.873.60000116.9
1023A35.1Very low34.7Very low90 Ų90149.9 Ų149.974%0.74475%0.745SS**  trans-158.7130.8156.600000107
1024S30.1Very low34.6Very low109 Ų109152 Ų15276%0.76275%0.748SS**  cis68.9129.68-1470000116.8
1025I32.7Very low34.7Very low125 Ų125148.8 Ų148.864%0.64175%0.747SS**  trans75.8112.1171.6-53.5165.9000116.2R1027I1025-R1027 HydrophobicContact CG2-CB 4.09Å
1026D35.7Very low34.7Very low157 Ų157144.9 Ų144.984%0.8474%0.738SS**  trans17299.6136.1-93.1-2.9000105.6
1027R32.8Very low34.7Very low186 Ų186144.9 Ų144.970%0.70274%0.738SS**  cis75.2122.716-141.2-172.4-176-170.92.2114.9I1025I1025-R1027 HydrophobicContact CG2-CB 4.09Å
1028Q34.7Very low34.9Very low123 Ų123147.5 Ų147.558%0.57574%0.735SS**  trans69.8125166.6-73.7150.1-63.300116.4
1029Q34.6Very low34.9Very low156 Ų156142.9 Ų142.973%0.72973%0.732SS**  71.2121.5109.4-63.3167.5-10.600112.1
1030V38.1Very low34.9Very low131 Ų131143.5 Ų143.579%0.79474%0.737SS**  -139129.668.9153.90000109.3
1031K36.4Very low34.9Very low135 Ų135146.3 Ų146.359%0.58774%0.743SS**  87.8142.859.3-100.8170.6143.6-85.20112.7
1032E36.3Very low34.7Very low143 Ų143146.3 Ų146.367%0.66874%0.743SS**  trans62136.6161.8-80.5100.8-11400118.6
1033T37.8Very low34.8Very low129 Ų129147.4 Ų147.479%0.79174%0.739SS**  cis-141.9161.60.250.80000113.6
1034Y32.5Very low34.6Very low206 Ų206147 Ų14781%0.80874%0.736SS**  trans-68.9178.5162.1-99.3-111.3000111.9
1035P39.6Very low34.7Very low124 Ų124152.5 Ų152.581%0.80574%0.74SS**  cis-144.7-170.831.244-22.4000119.1
1036E32.5Very low34.7Very low139 Ų139150.7 Ų150.765%0.6574%0.738SS**  trans-83.9167-175.9-39.2161.682.600116
1037R36.6Very low34.6Very low232 Ų232149.4 Ų149.488%0.87573%0.731SS**  -167.9124.1127.8-96.6151.3-160.9-131.44.2109.2
1038K36.3Very low34.7Very low166 Ų166148.5 Ų148.572%0.72273%0.732SS**  56.39887.9-63.3-179.5-176.9178.80112
1039V34.5Very low34.8Very low128 Ų128150.1 Ų150.178%0.77674%0.74SS**  91.2158.370167.70000112.1
1040H35.5Very low34.8Very low174 Ų174145.7 Ų145.781%0.80674%0.736SS**  trans84.2125.8-169.3-59-98.3000114.4
1041K33.2Very low34.8Very low182 Ų182148.8 Ų148.879%0.79174%0.738SS**  cis112.3120.53.8-172.3-159.9166.8-169.60112.8
1042S31.5Very low34.6Very low102 Ų102146.6 Ų146.671%0.71374%0.741SS**  trans61.5161174350000114.2
1043E34.7Very low34.8Very low159 Ų159145.6 Ų145.674%0.74374%0.744SS**  cis-118.4153.46.8-72.8-176110.300109.9
1044A30.6Very low34.6Very low81 Ų81143.7 Ų143.767%0.66974%0.736SS**  69.9140.952.600000114.5
1045R31.3Very low34.7Very low225 Ų225140.2 Ų140.285%0.84973%0.732SS**  trans74.5148.6176.5-53.4176.4-166.7-1503.1115.2
1046S34.6Very low34.7Very low87 Ų87140.8 Ų140.861%0.60873%0.733SS**  cis-172.5162.3-18520000111.7
1047N32.9Very low35Very low130 Ų130141.1 Ų141.170%0.69573%0.734SS**  trans69.8140.8143.6-69.9-10.6000120.9
1048K34.3Very low35Very low167 Ų167141 Ų14173%0.72673%0.734SS**  trans57.7148.2132.8-70.8161.7149.5-98.30119
1049E38.1Very low35.2Very low157 Ų157140.7 Ų140.773%0.73473%0.734SS**  cis-127.7175.2-7.6-105.2110.8-148.600106.6
1050G33.7Very low35.3Very low62 Ų62137.2 Ų137.264%0.63972%0.724SS**  cis120.4142.521.900000109.3
1051K37.5Very low35.7Very low196 Ų196137.7 Ų137.785%0.85273%0.727SS**  trans71.5133-170.5-60.8-174.7176.1-178.70114.3
1052S32.8Very low36.1Very low90 Ų90134.2 Ų134.263%0.62973%0.726SS**  cis88.8157.430.384.60000114.8
1053T40.2Very low36.5Very low121 Ų121132.4 Ų132.474%0.74272%0.723SS**  trans58.3105.6178.149.70000114.4
1054S34Very low36.9Very low89 Ų89134.8 Ų134.862%0.62273%0.733SS**  77.8147.361.185.40000113.9
1055D34.8Very low37.3Very low134 Ų134134.6 Ų134.672%0.71774%0.74SS**  trans49.8120.6161.1-38.9-55.9000118.1
1056T40.2Very low37.6Very low136 Ų136129.3 Ų129.383%0.83474%0.737SS**  -176.3165.177.427.80000114.1
1057H36.9Very low37.9Very low146 Ų146129.8 Ų129.868%0.67674%0.74SS**  trans-51.7147.1170.4-66.3-129.3000115.4H1059H1057-H1059 AromaticContact ND1-CD2 3.83Å; H1057-H1059 AromaticContact ND1-NE2 3.34Å; H1057-H1059 PolarHBondContact ND1-NE2 3.43Å
1058R36.8Very low38.3Very low230 Ų230131.3 Ų131.387%0.86874%0.743SS**  -173.6117.3106.1-95.2157.8-179.2-175.10.2109.9
1059H41.8Very low38.5Very low158 Ų158128.4 Ų128.473%0.73174%0.744SS**  62.7114.783.5-73-73.1000114.7H1057H1057-H1059 AromaticContact ND1-CD2 3.83Å; H1057-H1059 AromaticContact ND1-NE2 3.34Å; H1057-H1059 PolarHBondContact ND1-NE2 3.43Å
1060G36.1Very low38.8Very low55 Ų55130.7 Ų130.757%0.56775%0.746SS**  131.4124.8117.700000118.3
1061H44.7Very low39.1Very low185 Ų185133.8 Ų133.886%0.85674%0.744SS**  trans68.6157.3140.4-52.9-68000119.8
1062S40.4Very low39.3Very low109 Ų109132.6 Ų132.676%0.76274%0.741SS**  173.8141.3-53.847.70000108.7
1063G40.1Very low39.6Very low64 Ų64135.2 Ų135.266%0.6675%0.747SS**  trans127.7120.6176.400000111.4
1064H42.9Very low39.9Very low208 Ų208134 Ų13496%0.96374%0.741SS**  76.8122.859.1-76.2-71.9000114.2
1065G38.4Very low40.2Very low78 Ų78134.2 Ų134.280%0.80474%0.738SS**  trans157.9124.6173.100000111.4
1066S38.7Very low40.4Very low113 Ų113130.2 Ų130.279%0.7973%0.729SS**  trans-127.4160.4-171.8-660000113.8
1067S40.3Very low40.3Very low97 Ų97126.6 Ų126.668%0.67871%0.709SS**  trans74.5161143.459.50000122.8
1068H40.8Very low40.2Very low162 Ų162125.2 Ų125.275%0.7572%0.716SS**  trans84.185167.5-59.5-71.9000121.2
1069S40.2Very low40Very low107 Ų107124.9 Ų124.975%0.74872%0.715SS**  53.6142.7109.4-53.40000123.8
1070R42.7Very low39.7Very low204 Ų204121.6 Ų121.677%0.7771%0.709SS**  trans100.7110.8137.7-101.8-173.5153.3179.2-21.2122
1071E39.9Very low39.6Very low127 Ų127125.8 Ų125.859%0.59372%0.719SS**  80.9147.8124.4-93.5161.7-151.800124.3
1072H42.7Very low39.1Very low172 Ų172123.3 Ų123.380%0.79671%0.712SS**  trans72.8127.5162.7-70.1-68000124.1
1073L38.6Very low38.9Very low145 Ų145121.8 Ų121.876%0.75970%0.701SS**  trans-91.3-170.8161.6-61.8171.9000108.4
1074P47.3Very low39Very low95 Ų95125.6 Ų125.662%0.61770%0.702SS**  cis-155.2-17316.646.3-24.2000119.7
1075V40.9Very low38.7Very low93 Ų93122.2 Ų122.256%0.56469%0.686SS**  trans61.8130.2143.4165.50000120.8D967D967-V1075 VanDerWaalsContact CB-CA 3.42Å; D967-V1075 HydrophobicContact CB-CB 4.5Å; D967-V1075 HydrophobicContact CB-CG2 4.3Å; D967-V1075 PolarHBondContact OD2-N 3.46Å
1076G38.1Very low38.9Very low50 Ų50125.6 Ų125.652%0.51568%0.679SS.*  trans17626.8171.400000123.8
1077S37.4Very low38.8Very low60 Ų60127.5 Ų127.542%0.4268%0.675SS.*  trans5.2152.5153.6-70.70000122.4K968 P969K968-S1077 PolarHBondContact O-OG 2.78Å; P969-S1077 WeakPolarHBondContact CD-OG 3.32Å
1078S35Very low38.8Very low117 Ų117126.4 Ų126.482%0.81867%0.672SS**  trans102.5151159-53.90000116.2
1079R33Very low38.6Very low224 Ų224122.5 Ų122.585%0.84567%0.668SS**  cis-174.9152.7-33.1-141.7178.1-173.3-172.82.1106.9
1080S35.9Very low38.7Very low88 Ų88125.7 Ų125.762%0.61567%0.668SS**  trans67.6146.1145.872.60000120.9
1081N33.8Very low38.5Very low143 Ų143124.4 Ų124.477%0.76567%0.668SS**  trans69.7153.9155.7-49.4-24.9000116
1082N33.3Very low38.5Very low134 Ų134123.7 Ų123.772%0.71767%0.673SS**  cis-144.2-177-2-150.2-22.6000110.6
1083S37Very low38.2Very low77 Ų77121.6 Ų121.654%0.53866%0.663SS.*  17.4139.7128.1-70.70000118.1
1084Q41.6Very low38.4Very low144 Ų144121.9 Ų121.967%0.67366%0.658SS**  cis-173.516622.6-126.9158.834.100111.3
1085H37.7Very low38.2Very low137 Ų137126 Ų12663%0.63467%0.667SS**  trans64.4156.6148.1-71.3-39.7000117.7
1086K41.3Very low38Very low148 Ų148125.8 Ų125.864%0.64367%0.674SS**  cis-134.4138.4-7.6-120.2164.7-172.5-162.80108.2
1087E38.4Very low38.1Very low153 Ų153129.7 Ų129.772%0.71569%0.688SS**  53.2133.5105-70-166.592.700115.7
1088A38.6Very low38.3Very low74 Ų74130.9 Ų130.961%0.61270%0.697SS**  cis-166.6-178.5-9.600000110.1
1089A38.2Very low38.7Very low80 Ų80134.6 Ų134.666%0.66170%0.698SS**  trans80.6142130.300000118.6
1090K40.8Very low39.1Very low174 Ų174128.5 Ų128.576%0.75769%0.69SS**  cis-161140.9-12.2-114.6164.4-171.4162.90107.1
1091K39Very low39.1Very low178 Ų178129.5 Ų129.577%0.77470%0.695SS**  trans67.3161.4145.1-68-172.9171.7-170.30115
1092T38.9Very low39.2Very low112 Ų112127.3 Ų127.369%0.68769%0.692SS**  cis-161.1170.1-15.4230000107.1
1093E38.2Very low39.4Very low127 Ų127129.3 Ų129.359%0.59370%0.696SS**  cis-163.8174.415.2-137.9179.9140.600110.7
1094K43Very low39.6Very low152 Ų152131 Ų13166%0.66170%0.703SS**  trans60.1142151.6-68.1152.5178139.90118.1
1095K41.7Very low39.4Very low182 Ų182130.8 Ų130.879%0.79171%0.712SS**  cis-159.5118.2-22.7-113.7178.7-179.7-1790103.4
1096A36.2Very low39.5Very low87 Ų87128.1 Ų128.172%0.71972%0.721SS**  50.8104.981.200000115
1097T41.3Very low39.6Very low133 Ų133126.8 Ų126.882%0.81673%0.731SS**  -173.4113.5129.229.50000108.3
1098S42.1Very low39.6Very low85 Ų85130.2 Ų130.259%0.59474%0.737SS**  68115.979.692.90000112.1
1099K43.4Very low39.7Very low194 Ų194135.2 Ų135.284%0.84375%0.745SS**  173.2166.773.9-94.2156.9-174.41790107.2
1100S41.6Very low39.6Very low97 Ų97138.3 Ų138.368%0.67875%0.749SS**  cis-172.1169.6-6.843.70000109.3
1101C35.3Very low39.5Very low108 Ų108136 Ų13673%0.7375%0.745SS**  trans37.4115.5148.3-63.50000119.7
1102S35.3Very low39.3Very low98 Ų98137.1 Ų137.169%0.68575%0.75SS**  61.9142.682.571.90000113.8
1103H38.2Very low39.5Very low175 Ų175136.8 Ų136.881%0.8175%0.748SS**  -165.6-176.951-140.5-87.9000112.6
1104V39.9Very low39.6Very low114 Ų114135.6 Ų135.669%0.69175%0.754SS**  trans79.392.5163.7-167.30000119.6
1105T38.1Very low39.5Very low139 Ų139137.5 Ų137.585%0.85377%0.765SS**  trans23.1132.4136.262.90000122.9
1106G39.2Very low39.5Very low80 Ų80139.6 Ų139.683%0.82577%0.768SS**  trans-159.4118.6159.300000113.2
1107S43.2Very low39.9Very low121 Ų121142 Ų14285%0.84677%0.768SS**  trans-75.3166174.4-63.80000111.2
1108R40.2Very low39.6Very low224 Ų224148.4 Ų148.485%0.84579%0.785SS**  cis-162.7139.919.8-149.2171.4-166.2-179.73110.6
1109K40.8Very low39.5Very low179 Ų179151.6 Ų151.678%0.77880%0.795SS**  trans44.5119.1154-69-169.8175-171.30119.7
1110L35.2Very low39.3Very low145 Ų145149.4 Ų149.476%0.75979%0.792SS**  67.1136.272.2-67.1-177.5000112.8
1111L39.6Very low39.1Very low127 Ų127152.3 Ų152.367%0.66580%0.799SS**  cis-152.7159.917.6-120.7158.3000112.2T1113L1111-T1113 HydrophobicContact CB-CG2 4.18Å; L1111-T1113 HydrophobicContact CD1-CG2 3.95Å; L1111-T1113 HydrophobicContact CD2-CG2 3.96Å; L1111-T1113 HydrophobicContact CG-CG2 4.21Å
1112F34.8Very low39.4Very low200 Ų200154.9 Ų154.988%0.87780%0.803SS**  trans-98.5101.7155.1-161.3-82000107
1113T42Very low39.6Very low105 Ų105158.4 Ų158.464%0.64481%0.81SS**  trans-113.1104.9172.942.70000110.1L1111L1111-T1113 HydrophobicContact CB-CG2 4.18Å; L1111-T1113 HydrophobicContact CD1-CG2 3.95Å; L1111-T1113 HydrophobicContact CD2-CG2 3.96Å; L1111-T1113 HydrophobicContact CG-CG2 4.21Å
1114S41.4Very low39.7Very low102 Ų102157.3 Ų157.371%0.71381%0.81SS**  trans-63.7132.9148.9530000109.1
1115E39.8Very low39.7Very low193 Ų193160.4 Ų160.490%0.90282%0.819SS**  trans-147.8150.8150.2-126.7162.5-168.300110.5
1116R42.7Very low39.8Very low225 Ų225162.1 Ų162.185%0.84982%0.816SS**  trans-139.7152.4-169.8-161.3-169.6-170.6167.93.3107.5
1117N43.7Very low39.9Very low137 Ų137168.9 Ų168.973%0.73382%0.815SS**  trans81.876.8177.3-45.8-16000114.3
1118K34.9Very low39.6Very low269 Ų269173.3 Ų173.3100%1.1781%0.812SS**  -102.7075.3-75.9-170175-175.30109.4

Retrieved 1,118 of 1,118 residues in 518.4 ms (Link to these results)

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