A0A087YIQ6_POEFO Loading...

Diphosphomevalonate decarboxylase

Catalyzes the ATP dependent decarboxylation of (R)-5-diphosphomevalonate to form isopentenyl diphosphate (IPP). Functions in the mevalonate (MVA) pathway leading to isopentenyl diphosphate (IPP), a key precursor for the biosynthesis of isoprenoids and sterol synthesis.

AlphaFold DB , UniProt , Accession A0A087YIQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 404 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
1M34.9Very low60Low234 Ų234123.2 Ų123.2100%1.15365%0.654SS**  0102.80-66.4-98-176.300105.2E3M1-E3 PolarHBondContact O-N 2.64Å
2P37.5Very low63.1Low130 Ų130115 Ų11584%0.84461%0.612SS**  trans-67.5130.3170.712.60.7000107D4P2-D4 PolarHBondContact O-N 2.76Å
3E37.4Very low65.8Low190 Ų190106.2 Ų106.289%0.88857%0.565SS**  trans-50.5129.4175.5-70.9171146.800109.8M1 S5M1-E3 PolarHBondContact O-N 2.64Å; E3-S5 VanDerWaalsContact C-N 3.34Å; E3-S5 PolarHBondContact O-N 3.49Å
4D41.2Very low68.2Low159 Ų15998.6 Ų98.685%0.8553%0.525SS*.  trans-5297.9169.4-87.3-40.1000108.8P2 M6P2-D4 PolarHBondContact O-N 2.76Å; D4-M6 PolarHBondContact O-N 2.98Å
5S46.7Very low70.2Confident112 Ų11292.7 Ų92.778%0.78349%0.494SS*.  trans-63.694.4158.6124.20000104.8E3 D7E3-S5 VanDerWaalsContact C-N 3.34Å; E3-S5 PolarHBondContact O-N 3.49Å; S5-D7 PolarHBondContact O-N 3.35Å
6M51.6Low72Confident168 Ų16886.9 Ų86.983%0.82846%0.463SS*.  trans-46.6118172.4-82.4-170.3-96.300107.9D4 K8D4-M6 PolarHBondContact O-N 2.98Å; M6-K8 VanDerWaalsContact C-N 3.34Å; M6-K8 PolarHBondContact O-N 3.23Å
7D68.1Low73.5Confident65 Ų6581.8 Ų81.835%0.34844%0.435SS..  trans-56.394.8-179.7-177.538.4000109.1S5 P9 S59 R60S5-D7 PolarHBondContact O-N 3.35Å; D7-P9 WeakPolarHBondContact O-CD 3.47Å; D7-S59 PolarHBondContact O-OG 2.95Å; D7-S59 PolarHBondContact OD2-OG 3.27Å; D7-R60 WeakPolarHBondContact OD2-CB 3.29Å; D7-R60 VanDerWaalsContact OD2-CG 3.25Å; D7-R60 WeakPolarHBondContact OD2-CG 3.35Å; D7-R60 PolarHBondContact OD2-N 3.25Å
8K75.9Confident74.8Confident188 Ų18877.2 Ų77.282%0.81741%0.411SS*.PPolyproline II helixtrans-63.9124.9-177.1-78.2-176.6180175.90108M6 S10M6-K8 VanDerWaalsContact C-N 3.34Å; M6-K8 PolarHBondContact O-N 3.23Å; K8-S10 PolarHBondContact O-N 3.42Å
9P82Confident76Confident24 Ų2473.3 Ų73.316%0.15639%0.39CS..PPolyproline II helixtrans-56.4136.2177.9-23.532.5000111.4D7 I11 A57 I58 F62 A395D7-P9 WeakPolarHBondContact O-CD 3.47Å; P9-I11 HydrophobicContact CB-CG1 4.14Å; P9-I11 PolarHBondContact O-N 3.14Å; P9-A57 HydrophobicContact CB-CB 4.19Å; P9-I58 CarbonylContact C-O 3.44Å; P9-I58 VanDerWaalsContact CA-O 3.31Å; P9-I58 WeakPolarHBondContact CA-O 3.47Å; P9-F62 HydrophobicContact CB-CZ 4.02Å; P9-F62 HydrophobicContact CG-CE1 4.27Å; P9-F62 HydrophobicContact CG-CZ 3.84Å; P9-A395 VanDerWaalsContact CD-O 3.23Å; P9-A395 WeakPolarHBondContact CD-O 3.43Å; P9-A395 WeakPolarHBondContact CG-O 3.43Å
10S90.2Very high77.1Confident47 Ų4769.7 Ų69.733%0.32937%0.371SS..EExtended strand (participates in β ladder)trans-74.9119.6164.5179.10000107.9K8 A57 I58K8-S10 PolarHBondContact O-N 3.42Å; S10-A57 CarbonylContact O-C 3.16Å; S10-A57 VanDerWaalsContact O-CA 3.27Å; S10-A57 WeakPolarHBondContact O-CA 3.27Å; S10-I58 PolarHBondContact N-O 3Å; S10-I58 PolarHBondContact O-N 3.23Å
11I94.9Very high78.1Confident38 Ų3866.6 Ų66.620%0.19536%0.356CS..EExtended strand (participates in β ladder)trans-117.7126.8-174.5-57.3-179.7000109.3P9 T55 V56 A57 H391 S394P9-I11 HydrophobicContact CB-CG1 4.14Å; P9-I11 PolarHBondContact O-N 3.14Å; I11-T55 HydrophobicContact CG2-CG2 3.48Å; I11-T55 VanDerWaalsContact CG2-CG2 3.48Å; I11-V56 WeakPolarHBondContact CA-O 3.49Å; I11-A57 HydrophobicContact CG1-CB 3.95Å; I11-H391 HydrophobicContact CG2-CB 4.35Å; I11-S394 WeakPolarHBondContact CD1-O 3.14Å
12V97.1Very high81.1Confident25 Ų2555.5 Ų55.515%0.15230%0.301CS..EExtended strand (participates in β ladder)trans-126.7134.8173.7-179.10000109.1T55 V56 T140 Q143 A144V12-T55 CarbonylContact O-C 3.55Å; V12-T55 VanDerWaalsContact O-CA 3.29Å; V12-T55 WeakPolarHBondContact O-CA 3.43Å; V12-V56 PolarHBondContact N-O 3.3Å; V12-V56 PolarHBondContact O-N 3.29Å; V12-T140 HydrophobicContact CB-CG2 4.34Å; V12-T140 HydrophobicContact CG1-CG2 4.18Å; V12-T140 VanDerWaalsContact O-CG2 3.3Å; V12-T140 WeakPolarHBondContact O-CG2 3.18Å; V12-Q143 HydrophobicContact CG1-CB 3.8Å; V12-A144 HydrophobicContact CB-CB 4.24Å; V12-A144 HydrophobicContact CG2-CB 4.02Å
13T98.4Very high84.1Confident1 Ų149.3 Ų49.31%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-117.1136.1171-61.50000109.7T53 T54 T55 V385 H391T13-T53 HydrophobicContact CG2-CG2 3.63Å; T13-T54 CarbonylContact C-O 3.51Å; T13-T54 VanDerWaalsContact CA-O 3.29Å; T13-T54 WeakPolarHBondContact CA-O 2.94Å; T13-T55 WeakPolarHBondContact OG1-CB 3.18Å; T13-T55 WeakPolarHBondContact OG1-CG2 3.35Å; T13-T55 PolarHBondContact OG1-OG1 3.48Å; T13-V385 HydrophobicContact CG2-CB 3.91Å; T13-V385 HydrophobicContact CG2-CG2 3.92Å; T13-V385 PolarHBondContact O-N 3.21Å; T13-H391 WeakPolarHBondContact OG1-CA 3.47Å; T13-H391 PolarHBondContact OG1-ND1 2.83Å
14C98.6Very high87Confident0 Ų040.4 Ų40.40%022%0.219CC..EExtended strand (participates in β ladder)trans-131.9165.2170.6-57.20000110.8T53 T54 C136 Y139 T140 R383C14-T53 WeakPolarHBondContact O-CA 3.41Å; C14-T54 PolarHBondContact N-O 2.96Å; C14-T54 PolarHBondContact O-N 3.36Å; C14-C136 PolarHBondContact O-SG 2.83Å; C14-C136 VanDerWaalsContact O-SG 3.34Å; C14-Y139 HydrophobicContact CB-CD1 3.74Å; C14-Y139 HydrophobicContact CB-CE1 4.19Å; C14-T140 HydrophobicContact CB-CG2 4.4Å; C14-T140 WeakPolarHBondContact CB-OG1 3.45Å; C14-R383 CarbonylContact C-O 3.52Å; C14-R383 WeakPolarHBondContact CA-O 3.32Å; C14-R383 WeakPolarHBondContact CB-O 3.3Å
15T98.6Very high89.7Confident9 Ų934.1 Ų34.16%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-120.2148.9167.959.70000110.6Q47 K51 T52 T53 P382 R383 V385T15-Q47 VanDerWaalsContact CB-OE1 3.27Å; T15-Q47 PolarHBondContact O-OE1 2.7Å; T15-Q47 PolarHBondContact OG1-OE1 3.02Å; T15-K51 HydrophobicContact CG2-CD 3.86Å; T15-T52 CarbonylContact C-O 3.58Å; T15-T52 WeakPolarHBondContact CA-O 3.26Å; T15-T53 HydrophobicContact CG2-CG2 4.16Å; T15-P382 CarbonylContact O-C 3.55Å; T15-P382 WeakPolarHBondContact O-CA 3.42Å; T15-P382 WeakPolarHBondContact O-CB 3.31Å; T15-R383 PolarHBondContact N-O 2.94Å; T15-R383 PolarHBondContact O-N 3.23Å; T15-V385 HydrophobicContact CG2-CG2 3.73Å
16A98.4Very high92.2Very high0 Ų029.1 Ų29.10%015%0.147CC..EExtended strand (participates in β ladder)trans-134.3146.3172.800000112.2K51 T52 A135 C136 P382A16-K51 WeakPolarHBondContact O-CA 3.45Å; A16-T52 PolarHBondContact N-O 3.47Å; A16-T52 PolarHBondContact O-N 3.47Å; A16-A135 HydrophobicContact CB-CB 4.2Å; A16-C136 HydrophobicContact CB-CB 3.52Å; A16-P382 HydrophobicContact CB-CB 4.21Å; A16-P382 HydrophobicContact CB-CG 4.08Å
17P97.8Very high94.4Very high0 Ų021.1 Ų21.10%011%0.108CC..EExtended strand (participates in β ladder)trans-80.6157-178.933.8-37.4000113T44 L45 Q47 A132 S165 P380P17-T44 HydrophobicContact CB-CG2 3.44Å; P17-T44 VanDerWaalsContact CB-CG2 3.44Å; P17-T44 HydrophobicContact CG-CG2 3.25Å; P17-L45 VanDerWaalsContact CB-O 3.28Å; P17-L45 WeakPolarHBondContact CB-O 3.48Å; P17-Q47 HydrophobicContact CB-CG 3.72Å; P17-Q47 HydrophobicContact CG-CG 4.5Å; P17-A132 WeakPolarHBondContact O-CB 3.31Å; P17-S165 VanDerWaalsContact O-CB 3.31Å; P17-S165 WeakPolarHBondContact O-CB 3.25Å; P17-S165 PolarHBondContact O-OG 2.73Å; P17-P380 WeakPolarHBondContact CG-O 3.3Å
18V96.6Very high95.8Very high0 Ų018.4 Ų18.40%09%0.093CC..  trans-77.2148.5160.6-179.10000109.3I20 L45 L50 F121 L127 A128 A132V18-I20 HydrophobicContact CG1-CD1 4.4Å; V18-L45 HydrophobicContact CG1-CD1 4.48Å; V18-L45 WeakPolarHBondContact O-CB 3.42Å; V18-L45 PolarHBondContact O-N 2.99Å; V18-L50 HydrophobicContact CG2-CB 4.17Å; V18-F121 HydrophobicContact CG2-CD1 4.28Å; V18-F121 HydrophobicContact CG2-CE1 3.47Å; V18-F121 VanDerWaalsContact CG2-CE1 3.47Å; V18-F121 HydrophobicContact CG2-CE2 4.2Å; V18-F121 HydrophobicContact CG2-CZ 3.43Å; V18-F121 VanDerWaalsContact CG2-CZ 3.43Å; V18-L127 WeakPolarHBondContact CG1-O 3.4Å; V18-A128 HydrophobicContact CG1-CB 4.3Å; V18-A132 HydrophobicContact CG2-CB 3.95Å
19N97.9Very high96.9Very high2 Ų214 Ų141%0.0117%0.072CC..EExtended strand (participates in β ladder)trans-121.9149.1168.97385.7000111.2S42 V43 S161 R164 S165N19-S42 WeakPolarHBondContact OD1-CB 3.34Å; N19-S42 PolarHBondContact OD1-OG 3.47Å; N19-V43 CarbonylContact C-O 3.49Å; N19-V43 WeakPolarHBondContact CA-O 3.25Å; N19-S161 PolarHBondContact ND2-O 2.86Å; N19-R164 PolarHBondContact OD1-NE 2.92Å; N19-R164 PolarHBondContact OD1-NH2 2.75Å; N19-S165 PolarHBondContact ND2-OG 2.78Å
20I98.1Very high97.6Very high1 Ų115.2 Ų15.21%0.0058%0.077CC..EExtended strand (participates in β ladder)trans-116.4121.7175.9-56.6-59.9000109.7V18 V22 S42 V43 L45 V314 F316V18-I20 HydrophobicContact CG1-CD1 4.4Å; I20-V22 PolarHBondContact O-N 3.06Å; I20-S42 CarbonylContact O-C 3.51Å; I20-S42 WeakPolarHBondContact O-CA 3.46Å; I20-S42 WeakPolarHBondContact O-CB 3.46Å; I20-V43 PolarHBondContact N-O 3.42Å; I20-V43 PolarHBondContact O-N 2.88Å; I20-L45 HydrophobicContact CD1-CD1 4.26Å; I20-L45 HydrophobicContact CG1-CD1 3.77Å; I20-L45 HydrophobicContact CG1-CD2 4.11Å; I20-L45 HydrophobicContact CG1-CG 4.06Å; I20-V314 HydrophobicContact CD1-CG2 4.04Å; I20-V314 HydrophobicContact CG1-CG1 4.21Å; I20-V314 HydrophobicContact CG1-CG2 4.31Å; I20-V314 HydrophobicContact CG2-CB 4.13Å; I20-V314 HydrophobicContact CG2-CG1 3.98Å; I20-V314 HydrophobicContact CG2-CG2 4.1Å; I20-F316 HydrophobicContact CB-CZ 4.26Å; I20-F316 HydrophobicContact CG2-CE2 4.33Å; I20-F316 HydrophobicContact CG2-CZ 3.87Å
21A98.4Very high97.9Very high6 Ų617.5 Ų17.55%0.058%0.082CC..EExtended strand (participates in β ladder)trans-71.6126.8178.400000111.1K24 L41A21-K24 HydrophobicContact CB-CD 3.83Å; A21-K24 WeakPolarHBondContact O-CE 3.47Å; A21-K24 PolarHBondContact O-NZ 2.92Å; A21-L41 CarbonylContact C-O 3.48Å; A21-L41 WeakPolarHBondContact CA-O 3.31Å
22V98.8Very high97.7Very high0 Ų021.1 Ų21.10%010%0.102CC..EExtended strand (participates in β ladder)trans-98.1-26169-64.40000111.4I20 L41 V43 M243 F255 T259 F316I20-V22 PolarHBondContact O-N 3.06Å; V22-L41 HydrophobicContact CG2-CB 4.37Å; V22-L41 HydrophobicContact CG2-CD2 3.39Å; V22-L41 HydrophobicContact CG2-CG 4.47Å; V22-L41 WeakPolarHBondContact CG2-O 3.33Å; V22-L41 PolarHBondContact N-O 3.27Å; V22-V43 HydrophobicContact CG1-CG2 4.16Å; V22-M243 HydrophobicContact CB-CE 3.99Å; V22-M243 HydrophobicContact CG2-CE 3.93Å; V22-M243 HydrophobicContact CG2-CG 4.06Å; V22-M243 HydrophobicContact CG2-SD 3.99Å; V22-F255 HydrophobicContact CB-CE2 4.4Å; V22-F255 HydrophobicContact CG1-CE2 3.97Å; V22-F255 HydrophobicContact CG1-CZ 3.79Å; V22-F255 HydrophobicContact CG2-CE2 4.29Å; V22-T259 HydrophobicContact CB-CG2 4.2Å; V22-T259 HydrophobicContact CG1-CG2 4.03Å; V22-F316 HydrophobicContact CG1-CE1 4.17Å; V22-F316 HydrophobicContact CG1-CE2 3.99Å; V22-F316 HydrophobicContact CG1-CZ 3.66Å
23I98.9Very high97.7Very high0 Ų022.2 Ų22.20%011%0.106CC..EExtended strand (participates in β ladder)trans-114.1117.9160-56.5-59.4000108S40 L41 V236 R239 M240 M243 D262I23-S40 WeakPolarHBondContact O-CA 3.2Å; I23-S40 WeakPolarHBondContact O-CB 3.42Å; I23-L41 HydrophobicContact CB-CB 4.17Å; I23-L41 HydrophobicContact CG1-CB 4.23Å; I23-L41 PolarHBondContact N-O 3.09Å; I23-L41 PolarHBondContact O-N 3.38Å; I23-L41 VanDerWaalsContact O-N 3.16Å; I23-V236 HydrophobicContact CG2-CG1 3.84Å; I23-R239 HydrophobicContact CD1-CB 3.91Å; I23-M240 HydrophobicContact CB-SD 3.89Å; I23-M240 HydrophobicContact CG1-SD 4.14Å; I23-M240 HydrophobicContact CG2-CG 4.23Å; I23-M240 HydrophobicContact CG2-SD 3.7Å; I23-M243 HydrophobicContact CD1-CB 4.17Å; I23-M243 HydrophobicContact CD1-CE 3.9Å; I23-M243 HydrophobicContact CD1-CG 4.4Å; I23-M243 HydrophobicContact CG1-CB 3.96Å; I23-M243 HydrophobicContact CG1-CE 4.29Å; I23-M243 HydrophobicContact CG1-CG 3.98Å; I23-D262 WeakPolarHBondContact CA-OD2 3.1Å; I23-D262 HydrophobicContact CD1-CB 3.98Å
24K98.8Very high97.6Very high3 Ų322.4 Ų22.41%0.01311%0.107CC..  trans-79.7136.1-164.5-54.6-57.9-169.6177.50112.9A21 N38 D262 F266 S306 F307 D308A21-K24 HydrophobicContact CB-CD 3.83Å; A21-K24 WeakPolarHBondContact O-CE 3.47Å; A21-K24 PolarHBondContact O-NZ 2.92Å; K24-N38 PolarHBondContact O-ND2 3.43Å; K24-D262 WeakPolarHBondContact CG-OD2 3.17Å; K24-D262 PolarHBondContact N-OD2 3.21Å; K24-F266 HydrophobicContact CB-CB 3.99Å; K24-F266 HydrophobicContact CB-CG 4.15Å; K24-F266 HydrophobicContact CD-CD1 4.47Å; K24-F266 HydrophobicContact CG-CB 3.71Å; K24-F266 HydrophobicContact CG-CD1 4.06Å; K24-F266 HydrophobicContact CG-CG 3.97Å; K24-S306 WeakPolarHBondContact CE-OG 3.14Å; K24-S306 PolarHBondContact NZ-OG 3.01Å; K24-F307 WeakPolarHBondContact CE-O 3.43Å; K24-F307 PolarHBondContact NZ-O 3.32Å; K24-D308 IonicContact NZ-OD1 3.88Å; K24-D308 PolarHBondContact NZ-OD1 2.91Å
25Y98.5Very high97.6Very high27 Ų2722.5 Ų22.511%0.10611%0.108CC..  trans-86.4119161.8157.8-121.6000109.1G27 K28 P36 W173 M218Y25-G27 VanDerWaalsContact CE2-O 3.3Å; Y25-G27 WeakPolarHBondContact CE2-O 3.21Å; Y25-K28 HydrophobicContact CE2-CG 4.38Å; Y25-K28 VanDerWaalsContact OH-CE 3.31Å; Y25-K28 WeakPolarHBondContact OH-CE 2.83Å; Y25-K28 VanDerWaalsContact OH-CG 3.22Å; Y25-K28 WeakPolarHBondContact OH-CG 3.24Å; Y25-P36 HydrophobicContact CD2-CB 3.61Å; Y25-P36 HydrophobicContact CE2-CB 3.58Å; Y25-W173 AromaticContact CD1-CZ3 3.65Å; Y25-W173 HydrophobicContact CD1-CZ3 3.65Å; Y25-W173 HydrophobicContact CD2-CE3 4.36Å; Y25-W173 HydrophobicContact CD2-CH2 4.13Å; Y25-W173 AromaticContact CD2-CZ3 3.56Å; Y25-W173 HydrophobicContact CD2-CZ3 3.56Å; Y25-W173 HydrophobicContact CE1-CH2 4.2Å; Y25-W173 AromaticContact CE1-CZ3 3.75Å; Y25-W173 HydrophobicContact CE1-CZ3 3.75Å; Y25-W173 AromaticContact CE2-CH2 3.82Å; Y25-W173 HydrophobicContact CE2-CH2 3.82Å; Y25-W173 AromaticContact CE2-CZ3 3.69Å; Y25-W173 HydrophobicContact CE2-CZ3 3.69Å; Y25-W173 HydrophobicContact CG-CE3 4.17Å; Y25-W173 HydrophobicContact CG-CH2 4.45Å; Y25-W173 AromaticContact CG-CZ3 3.52Å; Y25-W173 HydrophobicContact CG-CZ3 3.52Å; Y25-W173 AromaticContact CZ-CH2 3.83Å; Y25-W173 AromaticContact CZ-CZ3 3.76Å; Y25-M218 HydrophobicContact CE1-CE 3.91Å; Y25-M218 HydrophobicContact CE1-SD 4.08Å; Y25-M218 HydrophobicContact CE2-SD 4.27Å; Y25-M218 PolarHBondContact OH-SD 3.03Å
26W98.4Very high97.6Very high7 Ų722 Ų223%0.02711%0.105CC..  trans-151.5109.9173.5-165.6-111.2000110.3I37 G217 M218 S221 F266 I277 Y279 A309W26-I37 WeakPolarHBondContact O-CD1 3.39Å; W26-G217 VanDerWaalsContact CZ2-C 3.47Å; W26-M218 HydrophobicContact CD2-CB 3.45Å; W26-M218 VanDerWaalsContact CD2-CB 3.45Å; W26-M218 VanDerWaalsContact CE2-CB 3.5Å; W26-M218 HydrophobicContact CE3-CB 3.69Å; W26-M218 HydrophobicContact CE3-CE 4.07Å; W26-M218 HydrophobicContact CG-CB 4.05Å; W26-M218 HydrophobicContact CH2-CB 3.96Å; W26-M218 VanDerWaalsContact CZ2-CA 3.47Å; W26-M218 HydrophobicContact CZ2-CB 3.77Å; W26-M218 VanDerWaalsContact CZ2-N 3.26Å; W26-M218 HydrophobicContact CZ3-CB 3.94Å; W26-M218 HydrophobicContact CZ3-CE 4.1Å; W26-S221 VanDerWaalsContact NE1-CB 3.33Å; W26-S221 PolarHBondContact NE1-OG 2.87Å; W26-F266 HydrophobicContact CB-CD2 3.92Å; W26-F266 HydrophobicContact CB-CE2 4.1Å; W26-F266 HydrophobicContact CD2-CD2 4Å; W26-F266 AromaticContact CD2-CE2 3.3Å; W26-F266 HydrophobicContact CD2-CE2 3.3Å; W26-F266 HydrophobicContact CD2-CZ 4.24Å; W26-F266 AromaticContact CE2-CE2 3.7Å; W26-F266 HydrophobicContact CE3-CD2 4.37Å; W26-F266 AromaticContact CE3-CE2 3.42Å; W26-F266 HydrophobicContact CE3-CE2 3.42Å; W26-F266 VanDerWaalsContact CE3-CE2 3.42Å; W26-F266 AromaticContact CE3-CZ 3.93Å; W26-F266 HydrophobicContact CE3-CZ 3.93Å; W26-F266 AromaticContact CG-CD2 3.78Å; W26-F266 HydrophobicContact CG-CD2 3.78Å; W26-F266 AromaticContact CG-CE2 3.61Å; W26-F266 HydrophobicContact CG-CE2 3.61Å; W26-F266 HydrophobicContact CH2-CE2 4.31Å; W26-F266 HydrophobicContact CH2-CZ 4.49Å; W26-F266 HydrophobicContact CZ2-CE2 4.2Å; W26-F266 AromaticContact CZ3-CE2 3.94Å; W26-F266 HydrophobicContact CZ3-CE2 3.94Å; W26-F266 HydrophobicContact CZ3-CZ 4.07Å; W26-I277 HydrophobicContact CZ2-CD1 4.4Å; W26-Y279 AromaticContact CH2-CE2 3.72Å; W26-Y279 HydrophobicContact CH2-CE2 3.72Å; W26-Y279 WeakPolarHBondContact CH2-OH 3.29Å; W26-Y279 HydrophobicContact CZ2-CE2 4.16Å; W26-Y279 HydrophobicContact CZ3-CE2 4.46Å; W26-A309 HydrophobicContact CZ3-CB 4.4Å
27G98.1Very high97.6Very high0 Ų023.7 Ų23.70%011%0.114CC..  trans108.4142.2179.400000112.9Y25 I37Y25-G27 VanDerWaalsContact CE2-O 3.3Å; Y25-G27 WeakPolarHBondContact CE2-O 3.21Å; G27-I37 PolarHBondContact O-N 3.49Å; G27-I37 VanDerWaalsContact O-N 3.13Å
28K98.4Very high97.7Very high9 Ų923.8 Ų23.84%0.03911%0.114CC..EExtended strand (participates in β ladder)trans-117.3139.9-179.9-62.3-179.1-150.7710110.2Y25 E31 I34 L35 I37 M218Y25-K28 HydrophobicContact CE2-CG 4.38Å; Y25-K28 VanDerWaalsContact OH-CE 3.31Å; Y25-K28 WeakPolarHBondContact OH-CE 2.83Å; Y25-K28 VanDerWaalsContact OH-CG 3.22Å; Y25-K28 WeakPolarHBondContact OH-CG 3.24Å; K28-E31 HydrophobicContact CB-CG 4.48Å; K28-E31 HydrophobicContact CD-CG 4.4Å; K28-I34 HydrophobicContact CD-CG2 4.17Å; K28-L35 CarbonylContact C-O 3.56Å; K28-L35 WeakPolarHBondContact CA-O 3.3Å; K28-L35 WeakPolarHBondContact CB-O 3.2Å; K28-I37 VanDerWaalsContact C-CG2 3.49Å; K28-M218 HydrophobicContact CG-SD 4.16Å; K28-M218 PolarHBondContact NZ-SD 3.41Å
29R97.9Very high97.8Very high96 Ų9624.9 Ų24.936%0.36212%0.122SC..EExtended strand (participates in β ladder)trans-85.1-23.3164.872.3175.5-173.2-86.75.2111.9L35 P36 I37 M175 G176R29-L35 HydrophobicContact CG-CB 3.81Å; R29-L35 PolarHBondContact N-O 3.14Å; R29-P36 PolarHBondContact NH1-O 3.32Å; R29-I37 HydrophobicContact CB-CG2 4.2Å; R29-M175 VanDerWaalsContact CZ-O 3.29Å; R29-M175 PolarHBondContact NH1-O 2.58Å; R29-M175 PolarHBondContact NH2-O 2.97Å; R29-G176 PolarHBondContact NH2-O 3.24Å
30D97.6Very high97.8Very high49 Ų4924.8 Ų24.826%0.26212%0.121SC..EExtended strand (participates in β ladder)trans-141121176.7-171-50.4000109.3D32 L33 I34 L35D30-D32 PolarHBondContact OD1-N 3.45Å; D30-L33 HydrophobicContact CB-CB 4.43Å; D30-L33 PolarHBondContact OD1-N 3.05Å; D30-I34 CarbonylContact O-C 3.58Å; D30-I34 VanDerWaalsContact O-CA 3.27Å; D30-I34 WeakPolarHBondContact O-CA 3.45Å; D30-I34 PolarHBondContact O-N 2.92Å; D30-L35 HydrophobicContact CB-CB 3.85Å; D30-L35 HydrophobicContact CB-CD1 3.89Å; D30-L35 HydrophobicContact CB-CG 3.94Å; D30-L35 PolarHBondContact N-O 3.44Å; D30-L35 PolarHBondContact O-N 3.3Å
31E95.1Very high97.9Very high95 Ų9524.7 Ų24.744%0.44412%0.121SC..THydrogen-bonded Turntrans-83-28.9-177.4-61.9-162.1-11100113.6K28 Q219K28-E31 HydrophobicContact CB-CG 4.48Å; K28-E31 HydrophobicContact CD-CG 4.4Å; E31-Q219 WeakPolarHBondContact OE1-CG 3.49Å; E31-Q219 PolarHBondContact OE1-NE2 3.4Å
32D92.3Very high97.9Very high114 Ų11424.4 Ų24.461%0.6112%0.119SC*.THydrogen-bonded Turntrans-78.7-44.5-177.3-74.3-35.3000110.9D30 I34D30-D32 PolarHBondContact OD1-N 3.45Å; D32-I34 VanDerWaalsContact C-N 3.33Å
33L95.4Very high97.9Very high47 Ų4724.4 Ų24.425%0.24612%0.119CC..THydrogen-bonded Turntrans-86.4-8176.7-63.5-179.1000112.9D30 L35 R156 E179D30-L33 HydrophobicContact CB-CB 4.43Å; D30-L33 PolarHBondContact OD1-N 3.05Å; L33-L35 HydrophobicContact CB-CD1 3.99Å; L33-L35 HydrophobicContact CB-CD2 4.27Å; L33-L35 HydrophobicContact CB-CG 3.75Å; L33-L35 HydrophobicContact CD1-CD1 4.1Å; L33-R156 VanDerWaalsContact O-CZ 3.29Å; L33-R156 PolarHBondContact O-NE 2.9Å; L33-R156 PolarHBondContact O-NH2 3.08Å; L33-E179 WeakPolarHBondContact CD1-O 3.41Å
34I97.3Very high97.9Very high5 Ų524.4 Ų24.43%0.02612%0.119CC..THydrogen-bonded Turntrans54.258.3-176-47.2-166.1000110.7K28 D30 D32 R156 Q157 W173K28-I34 HydrophobicContact CD-CG2 4.17Å; D30-I34 CarbonylContact O-C 3.58Å; D30-I34 VanDerWaalsContact O-CA 3.27Å; D30-I34 WeakPolarHBondContact O-CA 3.45Å; D30-I34 PolarHBondContact O-N 2.92Å; D32-I34 VanDerWaalsContact C-N 3.33Å; I34-R156 HydrophobicContact CB-CG 4.47Å; I34-R156 WeakPolarHBondContact CD1-O 3.46Å; I34-R156 VanDerWaalsContact O-CD 3.27Å; I34-R156 WeakPolarHBondContact O-CD 3.46Å; I34-R156 WeakPolarHBondContact O-CG 3.28Å; I34-R156 PolarHBondContact O-NE 3.05Å; I34-Q157 WeakPolarHBondContact CD1-O 3.38Å; I34-W173 WeakPolarHBondContact O-CZ2 3.21Å
35L98.4Very high97.8Very high2 Ų224.3 Ų24.31%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-99130.6178.4-55.8177.8000110.2K28 R29 D30 L33 R156K28-L35 CarbonylContact C-O 3.56Å; K28-L35 WeakPolarHBondContact CA-O 3.3Å; K28-L35 WeakPolarHBondContact CB-O 3.2Å; R29-L35 HydrophobicContact CG-CB 3.81Å; R29-L35 PolarHBondContact N-O 3.14Å; D30-L35 HydrophobicContact CB-CB 3.85Å; D30-L35 HydrophobicContact CB-CD1 3.89Å; D30-L35 HydrophobicContact CB-CG 3.94Å; D30-L35 PolarHBondContact N-O 3.44Å; D30-L35 PolarHBondContact O-N 3.3Å; L33-L35 HydrophobicContact CB-CD1 3.99Å; L33-L35 HydrophobicContact CB-CD2 4.27Å; L33-L35 HydrophobicContact CB-CG 3.75Å; L33-L35 HydrophobicContact CD1-CD1 4.1Å; L35-R156 VanDerWaalsContact CD2-CZ 3.46Å
36P98.6Very high97.8Very high0 Ų024 Ų240%012%0.118CC..EExtended strand (participates in β ladder)trans-85.6158.2-171.537.3-34000111Y25 R29 N38 W173 M175Y25-P36 HydrophobicContact CD2-CB 3.61Å; Y25-P36 HydrophobicContact CE2-CB 3.58Å; R29-P36 PolarHBondContact NH1-O 3.32Å; P36-N38 VanDerWaalsContact C-N 3.27Å; P36-N38 WeakPolarHBondContact CB-O 3.45Å; P36-W173 HydrophobicContact CB-CH2 3.79Å; P36-W173 HydrophobicContact CB-CZ2 4.02Å; P36-W173 HydrophobicContact CB-CZ3 4.09Å; P36-W173 HydrophobicContact CG-CD2 4.16Å; P36-W173 HydrophobicContact CG-CE3 4.42Å; P36-W173 HydrophobicContact CG-CH2 3.86Å; P36-W173 HydrophobicContact CG-CZ2 3.55Å; P36-W173 HydrophobicContact CG-CZ3 4.29Å; P36-M175 HydrophobicContact CG-CB 3.77Å
37I98.6Very high97.8Very high34 Ų3424 Ų2417%0.17412%0.118CC..SBendtrans-76-17.2171.464177.2000112.8W26 G27 K28 R29 M175 V222 L228 A232W26-I37 WeakPolarHBondContact O-CD1 3.39Å; G27-I37 PolarHBondContact O-N 3.49Å; G27-I37 VanDerWaalsContact O-N 3.13Å; K28-I37 VanDerWaalsContact C-CG2 3.49Å; R29-I37 HydrophobicContact CB-CG2 4.2Å; I37-M175 WeakPolarHBondContact O-CE 3.47Å; I37-V222 HydrophobicContact CD1-CG2 4.33Å; I37-L228 HydrophobicContact CD1-CD1 3.98Å; I37-L228 HydrophobicContact CD1-CD2 4Å; I37-L228 HydrophobicContact CD1-CG 3.77Å; I37-A232 HydrophobicContact CB-CB 4.23Å; I37-A232 HydrophobicContact CD1-CB 3.73Å; I37-A232 HydrophobicContact CG1-CB 3.83Å
38N98.8Very high97.7Very high2 Ų229.4 Ų29.41%0.01115%0.147CC..SBendtrans-148.1153.6177.764.9-93.1000111.6K24 P36 A232 V236K24-N38 PolarHBondContact O-ND2 3.43Å; P36-N38 VanDerWaalsContact C-N 3.27Å; P36-N38 WeakPolarHBondContact CB-O 3.45Å; N38-A232 HydrophobicContact CB-CB 4.23Å; N38-V236 HydrophobicContact CB-CB 4.04Å; N38-V236 HydrophobicContact CB-CG1 3.82Å; N38-V236 HydrophobicContact CB-CG2 4.36Å
39S98.9Very high97.5Very high23 Ų2330.4 Ų30.416%0.16115%0.151CC..  trans-65.9159.7169.7-62.70000110.9W173 M175 V236S39-W173 VanDerWaalsContact CA-O 3.22Å; S39-W173 WeakPolarHBondContact CA-O 3.38Å; S39-W173 VanDerWaalsContact CB-O 3.24Å; S39-W173 WeakPolarHBondContact CB-O 3.43Å; S39-M175 PolarHBondContact OG-N 3.32Å; S39-V236 WeakPolarHBondContact O-CG1 3.31Å
40S98.9Very high97.4Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-140.2158.9179.248.90000111.3I23 R164 Q172 W173I23-S40 WeakPolarHBondContact O-CA 3.2Å; I23-S40 WeakPolarHBondContact O-CB 3.42Å; S40-R164 PolarHBondContact OG-NH1 3.33Å; S40-Q172 CarbonylContact O-C 3.57Å; S40-Q172 VanDerWaalsContact O-CA 3.25Å; S40-Q172 WeakPolarHBondContact O-CA 3.1Å; S40-W173 PolarHBondContact N-O 3.47Å; S40-W173 PolarHBondContact O-N 2.98Å
41L98.9Very high97.3Very high0 Ų026.4 Ų26.40%013%0.134CC..EExtended strand (participates in β ladder)trans-133.8134.6179.5-166.5151.7000109.6A21 V22 I23 F170 V171 V189 M240 M243 I244A21-L41 CarbonylContact C-O 3.48Å; A21-L41 WeakPolarHBondContact CA-O 3.31Å; V22-L41 HydrophobicContact CG2-CB 4.37Å; V22-L41 HydrophobicContact CG2-CD2 3.39Å; V22-L41 HydrophobicContact CG2-CG 4.47Å; V22-L41 WeakPolarHBondContact CG2-O 3.33Å; V22-L41 PolarHBondContact N-O 3.27Å; I23-L41 HydrophobicContact CB-CB 4.17Å; I23-L41 HydrophobicContact CG1-CB 4.23Å; I23-L41 PolarHBondContact N-O 3.09Å; I23-L41 PolarHBondContact O-N 3.38Å; I23-L41 VanDerWaalsContact O-N 3.16Å; L41-F170 HydrophobicContact CD2-CD1 4.48Å; L41-V171 WeakPolarHBondContact CA-O 3.33Å; L41-V189 HydrophobicContact CD1-CG2 4.13Å; L41-M240 HydrophobicContact CB-CE 4.04Å; L41-M240 HydrophobicContact CB-SD 3.93Å; L41-M240 HydrophobicContact CD1-CE 4.42Å; L41-M243 HydrophobicContact CD1-CG 4.06Å; L41-M243 HydrophobicContact CD2-CG 4.05Å; L41-M243 HydrophobicContact CG-CG 4.5Å; L41-I244 HydrophobicContact CD1-CD1 4.34Å; L41-I244 HydrophobicContact CD1-CG1 3.44Å; L41-I244 VanDerWaalsContact CD1-CG1 3.44Å
42S98.9Very high97.4Very high0 Ų021.9 Ų21.90%011%0.113CC..EExtended strand (participates in β ladder)trans-133.1160.8179.957.90000113.3N19 I20 R164 F170 V171N19-S42 WeakPolarHBondContact OD1-CB 3.34Å; N19-S42 PolarHBondContact OD1-OG 3.47Å; I20-S42 CarbonylContact O-C 3.51Å; I20-S42 WeakPolarHBondContact O-CA 3.46Å; I20-S42 WeakPolarHBondContact O-CB 3.46Å; S42-R164 WeakPolarHBondContact OG-CB 3.28Å; S42-R164 WeakPolarHBondContact OG-CD 3.48Å; S42-R164 PolarHBondContact OG-NE 3.28Å; S42-F170 WeakPolarHBondContact O-CA 3.48Å; S42-V171 PolarHBondContact N-O 2.79Å; S42-V171 PolarHBondContact O-N 3.36Å; S42-V171 PolarHBondContact OG-O 3.32Å
43V98.8Very high97.7Very high0 Ų017.3 Ų17.30%09%0.09CC..EExtended strand (participates in β ladder)trans-100.6124.2164.7-169.70000108.5N19 I20 V22 G169 F170 L198 I200 F255 F316 A378N19-V43 CarbonylContact C-O 3.49Å; N19-V43 WeakPolarHBondContact CA-O 3.25Å; I20-V43 PolarHBondContact N-O 3.42Å; I20-V43 PolarHBondContact O-N 2.88Å; V22-V43 HydrophobicContact CG1-CG2 4.16Å; V43-G169 WeakPolarHBondContact CA-O 3.33Å; V43-F170 HydrophobicContact CG1-CE1 4.39Å; V43-F170 HydrophobicContact CG2-CD1 3.73Å; V43-F170 HydrophobicContact CG2-CE1 3.58Å; V43-L198 HydrophobicContact CG1-CD2 4.41Å; V43-I200 HydrophobicContact CG1-CD1 4.38Å; V43-F255 HydrophobicContact CG2-CZ 4.44Å; V43-F316 HydrophobicContact CB-CE1 4.24Å; V43-F316 HydrophobicContact CG2-CE1 3.85Å; V43-A378 HydrophobicContact CG1-CB 4.08Å
44T98.8Very high97.8Very high0 Ų015.1 Ų15.10%08%0.078CC..EExtended strand (participates in β ladder)trans-74.4127.2171.3-63.80000109.2P17 Y167 G169 A378 G379P17-T44 HydrophobicContact CB-CG2 3.44Å; P17-T44 VanDerWaalsContact CB-CG2 3.44Å; P17-T44 HydrophobicContact CG-CG2 3.25Å; T44-Y167 WeakPolarHBondContact CG2-O 3.33Å; T44-Y167 PolarHBondContact OG1-O 3.32Å; T44-G169 PolarHBondContact N-O 2.9Å; T44-A378 CarbonylContact O-C 3.46Å; T44-A378 WeakPolarHBondContact O-CA 3.45Å; T44-G379 WeakPolarHBondContact CG2-O 3.45Å; T44-G379 PolarHBondContact O-N 2.9Å
45L98.2Very high97.9Very high0 Ų014.9 Ų14.90%08%0.077CC..BIsolated β-bridgetrans-86.2153.3-179-55.4-171.3000111.5P17 V18 I20 Q47 L50 I200 T376P17-L45 VanDerWaalsContact CB-O 3.28Å; P17-L45 WeakPolarHBondContact CB-O 3.48Å; V18-L45 HydrophobicContact CG1-CD1 4.48Å; V18-L45 WeakPolarHBondContact O-CB 3.42Å; V18-L45 PolarHBondContact O-N 2.99Å; I20-L45 HydrophobicContact CD1-CD1 4.26Å; I20-L45 HydrophobicContact CG1-CD1 3.77Å; I20-L45 HydrophobicContact CG1-CD2 4.11Å; I20-L45 HydrophobicContact CG1-CG 4.06Å; L45-Q47 PolarHBondContact O-N 3.36Å; L45-L50 HydrophobicContact CD1-CD1 3.71Å; L45-I200 HydrophobicContact CD2-CB 4.08Å; L45-I200 HydrophobicContact CD2-CD1 4.07Å; L45-I200 HydrophobicContact CD2-CG1 3.91Å; L45-I200 HydrophobicContact CD2-CG2 3.97Å; L45-T376 HydrophobicContact CB-CG2 4.28Å; L45-T376 HydrophobicContact CD1-CG2 4.16Å; L45-T376 HydrophobicContact CD2-CG2 4.15Å; L45-T376 HydrophobicContact CG-CG2 4.43Å
46H98.3Very high97.8Very high22 Ų2214.8 Ų14.810%0.1028%0.076CC..PPolyproline II helixtrans-68.9131.6-179.2-153.6-83000113D48 Q49 L50 K377H46-D48 IonicContact CE1-OD1 3.73Å; H46-D48 PolarHBondContact CE1-OD1 2.98Å; H46-D48 IonicContact CE1-OD2 2.92Å; H46-D48 PolarHBondContact CE1-OD2 2.83Å; H46-D48 WeakPolarHBondContact ND1-CB 3.17Å; H46-D48 PolarHBondContact ND1-N 3.44Å; H46-D48 IonicContact ND1-OD1 3.71Å; H46-D48 PolarHBondContact ND1-OD1 2.8Å; H46-D48 IonicContact ND1-OD2 2.79Å; H46-D48 PolarHBondContact ND1-OD2 3.16Å; H46-D48 PolarHBondContact O-N 2.94Å; H46-Q49 PolarHBondContact O-N 3.45Å; H46-L50 PolarHBondContact O-N 2.94Å; H46-K377 HydrophobicContact CB-CG 3.97Å; H46-K377 VanDerWaalsContact CD2-CE 3.43Å; H46-K377 WeakPolarHBondContact CD2-CE 3.48Å; H46-K377 PolarHBondContact N-O 2.8Å
47Q97.6Very high97.7Very high7 Ų714.8 Ų14.83%0.0338%0.076CC..THydrogen-bonded Turntrans-68-21.9-175.9-70.2176.367.800113.6T15 P17 L45 Q49 K51 P380 G381T15-Q47 VanDerWaalsContact CB-OE1 3.27Å; T15-Q47 PolarHBondContact O-OE1 2.7Å; T15-Q47 PolarHBondContact OG1-OE1 3.02Å; P17-Q47 HydrophobicContact CB-CG 3.72Å; P17-Q47 HydrophobicContact CG-CG 4.5Å; L45-Q47 PolarHBondContact O-N 3.36Å; Q47-Q49 PolarHBondContact O-N 3.35Å; Q47-K51 HydrophobicContact CB-CB 4Å; Q47-K51 HydrophobicContact CB-CD 4.39Å; Q47-K51 HydrophobicContact CG-CB 4.18Å; Q47-K51 WeakPolarHBondContact O-CD 3.36Å; Q47-P380 PolarHBondContact NE2-O 3.4Å; Q47-P380 VanDerWaalsContact NE2-O 3.12Å; Q47-G381 PolarHBondContact NE2-O 3.1Å
48D96.1Very high97.4Very high113 Ų11313.3 Ų13.360%0.6047%0.069SC*.THydrogen-bonded Turntrans-56-33.7172.7-66.22.4000112.4H46H46-D48 IonicContact CE1-OD1 3.73Å; H46-D48 PolarHBondContact CE1-OD1 2.98Å; H46-D48 IonicContact CE1-OD2 2.92Å; H46-D48 PolarHBondContact CE1-OD2 2.83Å; H46-D48 WeakPolarHBondContact ND1-CB 3.17Å; H46-D48 PolarHBondContact ND1-N 3.44Å; H46-D48 IonicContact ND1-OD1 3.71Å; H46-D48 PolarHBondContact ND1-OD1 2.8Å; H46-D48 IonicContact ND1-OD2 2.79Å; H46-D48 PolarHBondContact ND1-OD2 3.16Å; H46-D48 PolarHBondContact O-N 2.94Å
49Q95.2Very high97Very high29 Ų2913.3 Ų13.314%0.1367%0.069CC..THydrogen-bonded Turntrans-99-44178.9-73.678.254.100112.1H46 Q47 N120 G345 I374 S375 T376H46-Q49 PolarHBondContact O-N 3.45Å; Q47-Q49 PolarHBondContact O-N 3.35Å; Q49-N120 PolarHBondContact O-ND2 3.47Å; Q49-G345 VanDerWaalsContact CG-CA 3.5Å; Q49-I374 HydrophobicContact CB-CG2 4.27Å; Q49-S375 WeakPolarHBondContact CG-O 3.27Å; Q49-T376 PolarHBondContact OE1-OG1 2.81Å
50L94.3Very high96.4Very high3 Ų319.6 Ų19.62%0.0169%0.089CC..SBendtrans-136.3110.5-171.8-66171.1000110.8V18 L45 H46 F121 L127 I374V18-L50 HydrophobicContact CG2-CB 4.17Å; L45-L50 HydrophobicContact CD1-CD1 3.71Å; H46-L50 PolarHBondContact O-N 2.94Å; L50-F121 HydrophobicContact CB-CD1 4.2Å; L50-F121 HydrophobicContact CD2-CB 3.54Å; L50-F121 HydrophobicContact CD2-CD1 3.7Å; L50-F121 HydrophobicContact CD2-CG 3.85Å; L50-L127 HydrophobicContact CD2-CD1 4.41Å; L50-I374 HydrophobicContact CD1-CG2 4.28Å; L50-I374 HydrophobicContact CD2-CD1 4.12Å; L50-I374 HydrophobicContact CG-CG2 4.32Å
51K96Very high95.9Very high58 Ų5823 Ų2325%0.25211%0.113SC..EExtended strand (participates in β ladder)trans-146.2150.4177.668.3-176.6-174.7-178.40112.9T15 A16 Q47 N120T15-K51 HydrophobicContact CG2-CD 3.86Å; A16-K51 WeakPolarHBondContact O-CA 3.45Å; Q47-K51 HydrophobicContact CB-CB 4Å; Q47-K51 HydrophobicContact CB-CD 4.39Å; Q47-K51 HydrophobicContact CG-CB 4.18Å; Q47-K51 WeakPolarHBondContact O-CD 3.36Å; K51-N120 PolarHBondContact N-OD1 3.45Å; K51-N120 PolarHBondContact O-N 3.22Å; K51-N120 PolarHBondContact O-OD1 3.11Å; K51-N120 VanDerWaalsContact O-OD1 3.08Å
52T97Very high95.6Very high0 Ų024 Ų240%012%0.117CC..EExtended strand (participates in β ladder)trans-92.4138.8157.5-62.90000108.1T15 A16 S117 V118 N119 A132 C136T15-T52 CarbonylContact C-O 3.58Å; T15-T52 WeakPolarHBondContact CA-O 3.26Å; A16-T52 PolarHBondContact N-O 3.47Å; A16-T52 PolarHBondContact O-N 3.47Å; T52-S117 WeakPolarHBondContact CG2-OG 3.43Å; T52-V118 WeakPolarHBondContact CA-O 3.47Å; T52-N119 WeakPolarHBondContact CB-OD1 3.4Å; T52-N119 WeakPolarHBondContact CG2-OD1 3.13Å; T52-N119 PolarHBondContact OG1-OD1 2.97Å; T52-A132 VanDerWaalsContact OG1-CB 3.3Å; T52-A132 WeakPolarHBondContact OG1-CB 3.33Å; T52-C136 HydrophobicContact CG2-CB 3.78Å; T52-C136 PolarHBondContact O-SG 2.82Å
53T98Very high95.3Very high18 Ų1831.8 Ų31.811%0.1115%0.154CC..EExtended strand (participates in β ladder)trans-112.3129.6167.5-54.90000108.1T13 C14 T15 S117 V118 L392T13-T53 HydrophobicContact CG2-CG2 3.63Å; C14-T53 WeakPolarHBondContact O-CA 3.41Å; T15-T53 HydrophobicContact CG2-CG2 4.16Å; T53-S117 CarbonylContact O-C 3.46Å; T53-S117 VanDerWaalsContact O-CA 3.28Å; T53-S117 WeakPolarHBondContact O-CA 3.26Å; T53-S117 PolarHBondContact O-OG 2.8Å; T53-V118 PolarHBondContact N-O 3.16Å; T53-V118 PolarHBondContact O-N 3.33Å; T53-L392 HydrophobicContact CG2-CD1 4Å; T53-L392 HydrophobicContact CG2-CG 4.31Å; T53-L392 WeakPolarHBondContact O-CD1 3.3Å
54T98.4Very high95Very high1 Ų137.2 Ų37.21%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-127.8135176.7-55.10000109.5T13 C14 V56 I115 C116 S117 C136T13-T54 CarbonylContact C-O 3.51Å; T13-T54 VanDerWaalsContact CA-O 3.29Å; T13-T54 WeakPolarHBondContact CA-O 2.94Å; C14-T54 PolarHBondContact N-O 2.96Å; C14-T54 PolarHBondContact O-N 3.36Å; T54-V56 HydrophobicContact CG2-CG2 4.41Å; T54-I115 HydrophobicContact CG2-CG2 3.72Å; T54-C116 CarbonylContact C-O 3.58Å; T54-C116 WeakPolarHBondContact CA-O 3.41Å; T54-S117 PolarHBondContact OG1-OG 2.66Å; T54-C136 VanDerWaalsContact CB-SG 3.56Å; T54-C136 PolarHBondContact N-SG 3.02Å; T54-C136 WeakPolarHBondContact OG1-CB 3.38Å; T54-C136 PolarHBondContact OG1-SG 3.27Å
55T98.6Very high94.9Very high0 Ų038.2 Ų38.20%018%0.184CC..EExtended strand (participates in β ladder)trans-116.1128.5171.8-56.40000108.8I11 V12 T13 I115 C116 H391 L392 L393I11-T55 HydrophobicContact CG2-CG2 3.48Å; I11-T55 VanDerWaalsContact CG2-CG2 3.48Å; V12-T55 CarbonylContact O-C 3.55Å; V12-T55 VanDerWaalsContact O-CA 3.29Å; V12-T55 WeakPolarHBondContact O-CA 3.43Å; T13-T55 WeakPolarHBondContact OG1-CB 3.18Å; T13-T55 WeakPolarHBondContact OG1-CG2 3.35Å; T13-T55 PolarHBondContact OG1-OG1 3.48Å; T55-I115 CarbonylContact O-C 3.49Å; T55-I115 WeakPolarHBondContact O-CA 3.29Å; T55-C116 PolarHBondContact N-O 3.48Å; T55-C116 PolarHBondContact O-N 2.84Å; T55-H391 HydrophobicContact CG2-CB 4.28Å; T55-L392 WeakPolarHBondContact OG1-CB 3.28Å; T55-L392 WeakPolarHBondContact OG1-CG 3.46Å; T55-L392 PolarHBondContact OG1-N 3.19Å; T55-L393 HydrophobicContact CG2-CB 4Å; T55-L393 HydrophobicContact CG2-CD1 4.01Å; T55-L393 HydrophobicContact CG2-CG 3.95Å
56V97.6Very high94.8Very high0 Ų041 Ų410%020%0.195CC..EExtended strand (participates in β ladder)trans-113.3128.8173.3174.30000107.9I11 V12 T54 I58 V113 H114 I115 T140 L141 A144I11-V56 WeakPolarHBondContact CA-O 3.49Å; V12-V56 PolarHBondContact N-O 3.3Å; V12-V56 PolarHBondContact O-N 3.29Å; T54-V56 HydrophobicContact CG2-CG2 4.41Å; V56-I58 HydrophobicContact CG1-CG1 4.05Å; V56-V113 HydrophobicContact CG1-CB 4.42Å; V56-H114 WeakPolarHBondContact CA-O 3.43Å; V56-I115 HydrophobicContact CG2-CG1 4.22Å; V56-I115 HydrophobicContact CG2-CG2 4.19Å; V56-T140 HydrophobicContact CB-CG2 3.89Å; V56-T140 HydrophobicContact CG2-CG2 3.57Å; V56-L141 HydrophobicContact CG1-CD2 3.97Å; V56-L141 HydrophobicContact CG2-CD2 4.05Å; V56-L141 HydrophobicContact CG2-CG 4.2Å; V56-A144 HydrophobicContact CB-CB 4.4Å; V56-A144 HydrophobicContact CG1-CB 4.08Å
57A95.8Very high94.7Very high0 Ų040.9 Ų40.90%020%0.195CC..EExtended strand (participates in β ladder)trans-111.6139.1168.600000109.9P9 S10 I11 F62 V113 H114 L393P9-A57 HydrophobicContact CB-CB 4.19Å; S10-A57 CarbonylContact O-C 3.16Å; S10-A57 VanDerWaalsContact O-CA 3.27Å; S10-A57 WeakPolarHBondContact O-CA 3.27Å; I11-A57 HydrophobicContact CG1-CB 3.95Å; A57-F62 HydrophobicContact CB-CE2 3.93Å; A57-F62 HydrophobicContact CB-CZ 4.13Å; A57-V113 WeakPolarHBondContact O-CA 3.44Å; A57-H114 HydrophobicContact CB-CB 4.46Å; A57-H114 PolarHBondContact N-O 3.39Å; A57-H114 PolarHBondContact O-N 2.91Å; A57-L393 HydrophobicContact CB-CD1 3.57Å
58I92.8Very high94.7Very high4 Ų441.4 Ų41.42%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-126.1125.9177-46.4178.2000109.3P9 S10 V56 V107 H111 V113 A144 F145P9-I58 CarbonylContact C-O 3.44Å; P9-I58 VanDerWaalsContact CA-O 3.31Å; P9-I58 WeakPolarHBondContact CA-O 3.47Å; S10-I58 PolarHBondContact N-O 3Å; S10-I58 PolarHBondContact O-N 3.23Å; V56-I58 HydrophobicContact CG1-CG1 4.05Å; I58-V107 HydrophobicContact CB-CG1 3.69Å; I58-V107 HydrophobicContact CD1-CG1 3.7Å; I58-V107 HydrophobicContact CG1-CG1 4.27Å; I58-V107 HydrophobicContact CG2-CG1 3.35Å; I58-H111 HydrophobicContact CG2-CB 3.41Å; I58-H111 VanDerWaalsContact CG2-CB 3.41Å; I58-V113 HydrophobicContact CG1-CG1 4.05Å; I58-A144 HydrophobicContact CD1-CB 3.62Å; I58-A144 HydrophobicContact CG1-CB 4.37Å; I58-F145 HydrophobicContact CD1-CD1 4.1Å; I58-F145 HydrophobicContact CD1-CD2 4.08Å; I58-F145 HydrophobicContact CD1-CE1 3.81Å; I58-F145 HydrophobicContact CD1-CE2 3.77Å; I58-F145 HydrophobicContact CD1-CG 4.23Å; I58-F145 HydrophobicContact CD1-CZ 3.63Å; I58-F145 HydrophobicContact CG1-CZ 4.45Å
59S90.4Very high94.5Very high1 Ų138.6 Ų38.61%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-149.5151.6178.7-179.50000111.6D7 S61D7-S59 PolarHBondContact O-OG 2.95Å; D7-S59 PolarHBondContact OD2-OG 3.27Å; S59-S61 PolarHBondContact O-N 3.47Å; S59-S61 PolarHBondContact OG-N 3.43Å; S59-S61 PolarHBondContact OG-OG 3.45Å
60R86.1Confident94.3Very high156 Ų15640.4 Ų40.459%0.58919%0.192SC*.THydrogen-bonded Turntrans-67.7-25.6170.4-67.7173.1179171.39.1112.7D7 F62 H111D7-R60 WeakPolarHBondContact OD2-CB 3.29Å; D7-R60 VanDerWaalsContact OD2-CG 3.25Å; D7-R60 WeakPolarHBondContact OD2-CG 3.35Å; D7-R60 PolarHBondContact OD2-N 3.25Å; R60-F62 VanDerWaalsContact C-N 3.29Å; R60-F62 PolarHBondContact O-N 2.91Å; R60-H111 WeakPolarHBondContact CG-CE1 3.28Å; R60-H111 WeakPolarHBondContact CG-NE2 3.48Å; R60-H111 PolarHBondContact NE-CE1 3.06Å; R60-H111 PolarHBondContact NE-NE2 3.4Å; R60-H111 VanDerWaalsContact NE-NE2 3.14Å
61S88.6Confident94.2Very high72 Ų7242.8 Ų42.850%0.50322%0.217SC..THydrogen-bonded Turntrans-75.1-20-176.964.50000113S59 Q63S59-S61 PolarHBondContact O-N 3.47Å; S59-S61 PolarHBondContact OG-N 3.43Å; S59-S61 PolarHBondContact OG-OG 3.45Å; S61-Q63 PolarHBondContact O-NE2 3.14Å
62F92.9Very high94Very high19 Ų1947.2 Ų47.28%0.08324%0.236CC..  trans-71.3129.3178.8-61.9-13.2000111.1P9 A57 R60 K112 H114P9-F62 HydrophobicContact CB-CZ 4.02Å; P9-F62 HydrophobicContact CG-CE1 4.27Å; P9-F62 HydrophobicContact CG-CZ 3.84Å; A57-F62 HydrophobicContact CB-CE2 3.93Å; A57-F62 HydrophobicContact CB-CZ 4.13Å; R60-F62 VanDerWaalsContact C-N 3.29Å; R60-F62 PolarHBondContact O-N 2.91Å; F62-K112 HydrophobicContact CB-CB 3.71Å; F62-K112 WeakPolarHBondContact CD2-O 3.4Å; F62-K112 VanDerWaalsContact O-CG 3.26Å; F62-K112 WeakPolarHBondContact O-CG 3.38Å; F62-H114 AromaticContact CD1-CE1 3.71Å; F62-H114 HydrophobicContact CD2-CB 4.3Å; F62-H114 AromaticContact CD2-CD2 3.81Å; F62-H114 AromaticContact CD2-CG 3.85Å; F62-H114 AromaticContact CE1-CE1 3.96Å; F62-H114 AromaticContact CE1-ND1 3.9Å; F62-H114 HydrophobicContact CE2-CB 3.94Å; F62-H114 AromaticContact CE2-CG 3.83Å; F62-H114 AromaticContact CE2-ND1 4Å; F62-H114 AromaticContact CG-CD2 3.99Å; F62-H114 AromaticContact CG-CE1 3.89Å; F62-H114 AromaticContact CG-NE2 3.78Å; F62-H114 HydrophobicContact CZ-CB 4.44Å; F62-H114 AromaticContact CZ-ND1 3.9Å
63Q92.1Very high93.9Very high165 Ų16551.9 Ų51.977%0.77126%0.258SS*.  trans-87.8-27.9-176.5-58.2-56.4-54.700112.9S61 K112S61-Q63 PolarHBondContact O-NE2 3.14Å; Q63-K112 WeakPolarHBondContact O-CE 3.41Å
64E93.3Very high93.7Very high113 Ų11355.5 Ų55.553%0.52827%0.274SS..SBendtrans-144.2157.4-175.959.4-176.6-179.900111.8R66 K112E64-R66 HydrophobicContact CG-CG 3.74Å; E64-R66 IonicContact OE1-NE 3.6Å; E64-K112 WeakPolarHBondContact O-CB 3.5Å
65D95.5Very high93.4Very high21 Ų2160 Ų6011%0.11230%0.298CS..  trans-75.1136.1170.2-63.4-31.9000107.7I76 R89 K112 V113D65-I76 HydrophobicContact CB-CD1 3.59Å; D65-I76 HydrophobicContact CB-CG1 4.38Å; D65-I76 HydrophobicContact CB-CG2 4.36Å; D65-I76 WeakPolarHBondContact O-CG2 3.42Å; D65-R89 IonicContact OD1-CZ 3.13Å; D65-R89 IonicContact OD1-NH2 2.75Å; D65-R89 PolarHBondContact OD1-NH2 3.4Å; D65-R89 IonicContact OD2-CZ 3.39Å; D65-R89 IonicContact OD2-NH1 3.05Å; D65-R89 PolarHBondContact OD2-NH1 2.81Å; D65-R89 IonicContact OD2-NH2 2.76Å; D65-R89 PolarHBondContact OD2-NH2 3.49Å; D65-K112 WeakPolarHBondContact OD1-CA 3.49Å; D65-K112 WeakPolarHBondContact OD1-CB 3.35Å; D65-V113 CarbonylContact C-O 3.59Å; D65-V113 VanDerWaalsContact CA-O 3.26Å; D65-V113 WeakPolarHBondContact CA-O 3.35Å; D65-V113 HydrophobicContact CB-CG2 4.21Å; D65-V113 PolarHBondContact OD1-N 2.92Å
66R96.7Very high93.1Very high60 Ų6060.9 Ų60.923%0.22630%0.303CS..EExtended strand (participates in β ladder)trans-136.8144.7-179.4-59.3179.767-177.85.2111.5E64 W68 E73 V113 H114 I115E64-R66 HydrophobicContact CG-CG 3.74Å; E64-R66 IonicContact OE1-NE 3.6Å; R66-W68 HydrophobicContact CB-CE3 4.39Å; R66-W68 HydrophobicContact CB-CH2 3.46Å; R66-W68 VanDerWaalsContact CB-CH2 3.46Å; R66-W68 HydrophobicContact CB-CZ2 4.17Å; R66-W68 HydrophobicContact CB-CZ3 3.58Å; R66-W68 HydrophobicContact CG-CH2 4.24Å; R66-E73 IonicContact CZ-OE1 3.19Å; R66-E73 IonicContact CZ-OE2 3.23Å; R66-E73 IonicContact NE-OE1 3.6Å; R66-E73 PolarHBondContact NE-OE1 3.4Å; R66-E73 IonicContact NH2-OE1 2.8Å; R66-E73 PolarHBondContact NH2-OE1 3.44Å; R66-E73 IonicContact NH2-OE2 3.34Å; R66-E73 PolarHBondContact NH2-OE2 2.87Å; R66-V113 PolarHBondContact N-O 3.33Å; R66-H114 WeakPolarHBondContact CD-NE2 3.47Å; R66-I115 PolarHBondContact O-N 3.28Å
67L96.6Very high92.8Very high19 Ų1965.4 Ų65.410%0.09933%0.33CS..EExtended strand (participates in β ladder)trans-129.8131.4179.2175.366.7000110.4E73 E74 I76 L81 I115L67-E73 WeakPolarHBondContact O-CA 3.48Å; L67-E74 HydrophobicContact CD2-CB 4.19Å; L67-E74 HydrophobicContact CG-CB 4.35Å; L67-E74 PolarHBondContact O-N 2.72Å; L67-I76 HydrophobicContact CB-CB 4.37Å; L67-I76 HydrophobicContact CB-CD1 4.11Å; L67-I76 HydrophobicContact CB-CG1 4.4Å; L67-L81 HydrophobicContact CD2-CD1 3.49Å; L67-L81 VanDerWaalsContact CD2-CD1 3.49Å; L67-L81 HydrophobicContact CD2-CD2 4.04Å; L67-L81 HydrophobicContact CD2-CG 4.45Å; L67-I115 CarbonylContact C-O 3.46Å; L67-I115 VanDerWaalsContact CA-O 3.3Å; L67-I115 WeakPolarHBondContact CA-O 3.2Å; L67-I115 HydrophobicContact CD1-CB 3.74Å; L67-I115 HydrophobicContact CD1-CG2 3.59Å
68W96.8Very high92.6Very high18 Ų1870.2 Ų70.27%0.06835%0.352CS..EExtended strand (participates in β ladder)trans-117.1131.4167-61.3-95.2000110.3R66 K72 E73 H114 I115 C116 S117 L398 P399R66-W68 HydrophobicContact CB-CE3 4.39Å; R66-W68 HydrophobicContact CB-CH2 3.46Å; R66-W68 VanDerWaalsContact CB-CH2 3.46Å; R66-W68 HydrophobicContact CB-CZ2 4.17Å; R66-W68 HydrophobicContact CB-CZ3 3.58Å; R66-W68 HydrophobicContact CG-CH2 4.24Å; W68-K72 CarbonylContact C-O 3.5Å; W68-K72 WeakPolarHBondContact CA-O 3.36Å; W68-E73 HydrophobicContact CG-CB 4.49Å; W68-H114 HydrophobicContact CH2-CB 4.47Å; W68-H114 HydrophobicContact CZ3-CB 3.9Å; W68-I115 PolarHBondContact N-O 3.15Å; W68-C116 HydrophobicContact CB-CB 4.5Å; W68-C116 CarbonylContact O-C 3.52Å; W68-C116 WeakPolarHBondContact O-CA 3.21Å; W68-S117 PolarHBondContact O-N 2.86Å; W68-L398 HydrophobicContact CH2-CD2 4.15Å; W68-L398 HydrophobicContact CZ2-CD2 4.3Å; W68-P399 HydrophobicContact CB-CG 4.07Å; W68-P399 HydrophobicContact CD2-CG 3.33Å; W68-P399 HydrophobicContact CE3-CG 3.84Å; W68-P399 HydrophobicContact CG-CG 3.43Å; W68-P399 VanDerWaalsContact CG-CG 3.43Å; W68-P399 HydrophobicContact CZ2-CG 4.15Å; W68-P399 HydrophobicContact CZ3-CG 4.46Å
69L92.9Very high92.5Very high54 Ų5475.7 Ų75.728%0.28338%0.378SS..EExtended strand (participates in β ladder)trans-121.7120.2174.8-178.961.9000109.4G71 K72 E74 S117L69-G71 PolarHBondContact O-N 3.19Å; L69-K72 PolarHBondContact N-O 2.95Å; L69-K72 PolarHBondContact O-N 3.01Å; L69-K72 VanDerWaalsContact O-N 3.1Å; L69-E74 HydrophobicContact CB-CG 3.78Å; L69-S117 WeakPolarHBondContact CA-O 3.47Å
70N90.8Very high92.6Very high67 Ų6778.4 Ų78.436%0.35839%0.388SS..THydrogen-bonded Turntrans50.243.8-179.5-56.9-49.1000113K72 S117 V118 N119 T123N70-K72 VanDerWaalsContact C-N 3.31Å; N70-K72 PolarHBondContact O-N 2.85Å; N70-S117 PolarHBondContact N-O 3.05Å; N70-V118 WeakPolarHBondContact OD1-CA 3.27Å; N70-N119 PolarHBondContact OD1-N 3.47Å; N70-N119 VanDerWaalsContact OD1-N 3.13Å; N70-T123 PolarHBondContact ND2-OG1 3.35Å
71G91.1Very high93Very high53 Ų5372 Ų7255%0.54637%0.365SS..THydrogen-bonded Turntrans80.80.2177.100000115.6L69L69-G71 PolarHBondContact O-N 3.19Å
72K92.1Very high93.2Very high150 Ų15071 Ų7165%0.65235%0.353SS*.EExtended strand (participates in β ladder)trans-110.3137.8175.3-64.6-176.7-179.5-177.90110.5W68 L69 N70W68-K72 CarbonylContact C-O 3.5Å; W68-K72 WeakPolarHBondContact CA-O 3.36Å; L69-K72 PolarHBondContact N-O 2.95Å; L69-K72 PolarHBondContact O-N 3.01Å; L69-K72 VanDerWaalsContact O-N 3.1Å; N70-K72 VanDerWaalsContact C-N 3.31Å; N70-K72 PolarHBondContact O-N 2.85Å
73E95.1Very high93.2Very high99 Ų9970.9 Ų70.946%0.46335%0.354SS..EExtended strand (participates in β ladder)trans-72.7133.6172.3-166.6160.2-168.700109.7R66 L67 W68R66-E73 IonicContact CZ-OE1 3.19Å; R66-E73 IonicContact CZ-OE2 3.23Å; R66-E73 IonicContact NE-OE1 3.6Å; R66-E73 PolarHBondContact NE-OE1 3.4Å; R66-E73 IonicContact NH2-OE1 2.8Å; R66-E73 PolarHBondContact NH2-OE1 3.44Å; R66-E73 IonicContact NH2-OE2 3.34Å; R66-E73 PolarHBondContact NH2-OE2 2.87Å; L67-E73 WeakPolarHBondContact O-CA 3.48Å; W68-E73 HydrophobicContact CG-CB 4.49Å
74E93.9Very high93.4Very high93 Ų9363 Ų6344%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-118.6153.8-177.1-66.8-69.4169.800110L67 L69 I76L67-E74 HydrophobicContact CD2-CB 4.19Å; L67-E74 HydrophobicContact CG-CB 4.35Å; L67-E74 PolarHBondContact O-N 2.72Å; L69-E74 HydrophobicContact CB-CG 3.78Å; E74-I76 PolarHBondContact O-N 2.94Å; E74-I76 VanDerWaalsContact O-N 3.08Å
75D92.1Very high93.4Very high97 Ų9757.8 Ų57.852%0.51929%0.293SS..  trans-69.8106.4177.4178.712.6000111.2T77D75-T77 PolarHBondContact O-N 3.4Å; D75-T77 WeakPolarHBondContact OD1-CA 3.49Å; D75-T77 VanDerWaalsContact OD1-CB 3.26Å; D75-T77 WeakPolarHBondContact OD1-CB 3.24Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.42Å; D75-T77 PolarHBondContact OD1-N 2.93Å; D75-T77 PolarHBondContact OD1-OG1 3.49Å; D75-T77 PolarHBondContact OD2-OG1 3.42Å
76I91.8Very high93.3Very high18 Ų1863.7 Ų63.79%0.09231%0.314CS..THydrogen-bonded Turntrans-70.7-15.9178.3-161.7155000113D65 L67 E74 H78 Q82 L85D65-I76 HydrophobicContact CB-CD1 3.59Å; D65-I76 HydrophobicContact CB-CG1 4.38Å; D65-I76 HydrophobicContact CB-CG2 4.36Å; D65-I76 WeakPolarHBondContact O-CG2 3.42Å; L67-I76 HydrophobicContact CB-CB 4.37Å; L67-I76 HydrophobicContact CB-CD1 4.11Å; L67-I76 HydrophobicContact CB-CG1 4.4Å; E74-I76 PolarHBondContact O-N 2.94Å; E74-I76 VanDerWaalsContact O-N 3.08Å; I76-H78 PolarHBondContact O-N 3Å; I76-Q82 PolarHBondContact O-NE2 3.15Å; I76-L85 HydrophobicContact CD1-CD1 4.11Å; I76-L85 HydrophobicContact CG1-CD1 3.99Å
77T91.1Very high93.1Very high94 Ų9462.8 Ų62.858%0.57731%0.312SS*.THydrogen-bonded Turntrans-76-7.6-177.974.90000112.9D75 Q79 Q82D75-T77 PolarHBondContact O-N 3.4Å; D75-T77 WeakPolarHBondContact OD1-CA 3.49Å; D75-T77 VanDerWaalsContact OD1-CB 3.26Å; D75-T77 WeakPolarHBondContact OD1-CB 3.24Å; D75-T77 WeakPolarHBondContact OD1-CG2 3.42Å; D75-T77 PolarHBondContact OD1-N 2.93Å; D75-T77 PolarHBondContact OD1-OG1 3.49Å; D75-T77 PolarHBondContact OD2-OG1 3.42Å; T77-Q79 PolarHBondContact O-N 3.48Å; T77-Q82 WeakPolarHBondContact O-CG 3.22Å
78H91Very high93Very high101 Ų10161.9 Ų61.947%0.46831%0.307SS..SBendtrans-52.1129.6175-172-76.8000111.9I76 R80 L81 Q82I76-H78 PolarHBondContact O-N 3Å; H78-R80 VanDerWaalsContact C-N 3.29Å; H78-R80 PolarHBondContact ND1-N 2.87Å; H78-R80 PolarHBondContact O-N 2.95Å; H78-L81 HydrophobicContact CB-CD1 4.26Å; H78-L81 WeakPolarHBondContact O-CB 3.25Å; H78-L81 PolarHBondContact O-N 2.7Å; H78-Q82 PolarHBondContact O-N 3.22Å; H78-Q82 VanDerWaalsContact O-N 3.1Å
79Q91.6Very high92.7Very high119 Ų11962.9 Ų62.956%0.55631%0.311SS*.Hα-helixtrans-47.7-45.7-170.2-174.4-177.2-1.500113.8T77 L81 Q82 S83T77-Q79 PolarHBondContact O-N 3.48Å; Q79-L81 PolarHBondContact O-N 3.37Å; Q79-Q82 PolarHBondContact O-N 2.94Å; Q79-S83 PolarHBondContact O-N 3.01Å; Q79-S83 PolarHBondContact O-OG 2.83Å
80R92.8Very high92.6Very high59 Ų5965.6 Ų65.622%0.22332%0.318CS..Hα-helixtrans-61.2-41.5179.2-69.5173.3175.5-164.34.3113.9H78 C84 F134 G158 T215H78-R80 VanDerWaalsContact C-N 3.29Å; H78-R80 PolarHBondContact ND1-N 2.87Å; H78-R80 PolarHBondContact O-N 2.95Å; R80-C84 PolarHBondContact O-N 3.44Å; R80-F134 HydrophobicContact CB-CE1 4.2Å; R80-F134 HydrophobicContact CB-CZ 3.81Å; R80-G158 VanDerWaalsContact CD-O 3.23Å; R80-G158 WeakPolarHBondContact CD-O 3.4Å; R80-T215 PolarHBondContact NH2-OG1 3.36Å
81L93.4Very high92.6Very high20 Ų2064.4 Ų64.411%0.10531%0.311CS..Hα-helixtrans-68.1-43.6176.7-70.6168.8000110.2L67 H78 Q79 S83 C84 L85 F134 L137L67-L81 HydrophobicContact CD2-CD1 3.49Å; L67-L81 VanDerWaalsContact CD2-CD1 3.49Å; L67-L81 HydrophobicContact CD2-CD2 4.04Å; L67-L81 HydrophobicContact CD2-CG 4.45Å; H78-L81 HydrophobicContact CB-CD1 4.26Å; H78-L81 WeakPolarHBondContact O-CB 3.25Å; H78-L81 PolarHBondContact O-N 2.7Å; Q79-L81 PolarHBondContact O-N 3.37Å; L81-S83 VanDerWaalsContact C-N 3.33Å; L81-S83 PolarHBondContact O-N 2.87Å; L81-C84 PolarHBondContact O-N 3.41Å; L81-L85 WeakPolarHBondContact O-CG 3.48Å; L81-L85 PolarHBondContact O-N 2.91Å; L81-F134 HydrophobicContact CD2-CE1 3.67Å; L81-F134 HydrophobicContact CD2-CZ 3.97Å; L81-F134 HydrophobicContact CG-CE1 4.21Å; L81-F134 HydrophobicContact CG-CZ 4.24Å; L81-L137 HydrophobicContact CD2-CD2 3.5Å
82Q94.1Very high92.4Very high52 Ų5262.2 Ų62.224%0.24329%0.288CS..Hα-helixtrans-61.6-39177.3-70-60.7-45.200112.5I76 T77 H78 Q79 L85 R86I76-Q82 PolarHBondContact O-NE2 3.15Å; T77-Q82 WeakPolarHBondContact O-CG 3.22Å; H78-Q82 PolarHBondContact O-N 3.22Å; H78-Q82 VanDerWaalsContact O-N 3.1Å; Q79-Q82 PolarHBondContact O-N 2.94Å; Q82-L85 PolarHBondContact O-N 3.42Å; Q82-R86 WeakPolarHBondContact O-CB 3.34Å; Q82-R86 PolarHBondContact O-N 3.4Å
83S93.1Very high92Very high17 Ų1761.3 Ų61.312%0.11928%0.28CS..Hα-helixtrans-60.4-49.1174.1-66.50000111.9Q79 L81 L85 R86 E87Q79-S83 PolarHBondContact O-N 3.01Å; Q79-S83 PolarHBondContact O-OG 2.83Å; L81-S83 VanDerWaalsContact C-N 3.33Å; L81-S83 PolarHBondContact O-N 2.87Å; S83-L85 PolarHBondContact O-N 2.93Å; S83-R86 PolarHBondContact O-N 3.05Å; S83-E87 WeakPolarHBondContact O-CB 3.39Å; S83-E87 PolarHBondContact O-N 2.67Å; S83-E87 VanDerWaalsContact O-N 3.08Å
84C95.4Very high91.4Very high0 Ų062.2 Ų62.20%028%0.283CS..Hα-helixtrans-60-48.2176.2-66.80000112.7R80 L81 R86 E87 I88 V138 I154 G158R80-C84 PolarHBondContact O-N 3.44Å; L81-C84 PolarHBondContact O-N 3.41Å; C84-R86 PolarHBondContact O-N 3.49Å; C84-E87 PolarHBondContact O-N 2.91Å; C84-I88 WeakPolarHBondContact O-CG1 3.36Å; C84-I88 PolarHBondContact O-N 2.78Å; C84-V138 HydrophobicContact CB-CG2 4.02Å; C84-I154 HydrophobicContact CB-CG2 4.34Å; C84-G158 VanDerWaalsContact SG-CA 3.53Å
85L93.6Very high90.4Very high3 Ų362.2 Ų62.22%0.01628%0.279CS..Hα-helixtrans-62.2-44.4-179.8-74.4168.3000111.9I76 L81 Q82 S83 E87 R89 V113 I115 L141I76-L85 HydrophobicContact CD1-CD1 4.11Å; I76-L85 HydrophobicContact CG1-CD1 3.99Å; L81-L85 WeakPolarHBondContact O-CG 3.48Å; L81-L85 PolarHBondContact O-N 2.91Å; Q82-L85 PolarHBondContact O-N 3.42Å; S83-L85 PolarHBondContact O-N 2.93Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.13Å; L85-R89 WeakPolarHBondContact O-CB 3.3Å; L85-R89 VanDerWaalsContact O-CG 3.26Å; L85-R89 WeakPolarHBondContact O-CG 3.47Å; L85-R89 PolarHBondContact O-N 3.49Å; L85-V113 HydrophobicContact CD2-CG2 3.96Å; L85-I115 HydrophobicContact CD2-CD1 4.32Å; L85-L141 HydrophobicContact CD2-CD1 3.74Å; L85-L141 HydrophobicContact CD2-CD2 3.98Å
86R93Very high89.2Confident144 Ų14462.6 Ų62.654%0.54327%0.273SS..Hα-helixtrans-60.3-44.5179.3-174.7-174.8-3.7-113.9-2.3111Q82 S83 C84 R89 R90Q82-R86 WeakPolarHBondContact O-CB 3.34Å; Q82-R86 PolarHBondContact O-N 3.4Å; S83-R86 PolarHBondContact O-N 3.05Å; C84-R86 PolarHBondContact O-N 3.49Å; R86-R89 PolarHBondContact O-N 3.04Å; R86-R90 WeakPolarHBondContact O-CB 3.47Å; R86-R90 PolarHBondContact O-N 2.89Å
87E92.9Very high87.9Confident41 Ų4168.4 Ų68.419%0.19230%0.304CS..Hα-helixtrans-73-41.8-176.4-172.555.7-157.800112.3S83 C84 L85 R89 R90 L91 I154S83-E87 WeakPolarHBondContact O-CB 3.39Å; S83-E87 PolarHBondContact O-N 2.67Å; S83-E87 VanDerWaalsContact O-N 3.08Å; C84-E87 PolarHBondContact O-N 2.91Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.13Å; E87-R89 PolarHBondContact O-N 3.21Å; E87-R90 VanDerWaalsContact CD-NE 3.29Å; E87-R90 WeakPolarHBondContact O-CB 3.49Å; E87-R90 PolarHBondContact O-N 3.03Å; E87-R90 VanDerWaalsContact O-N 3.11Å; E87-R90 IonicContact OE1-CZ 2.72Å; E87-R90 VanDerWaalsContact OE1-CZ 3.23Å; E87-R90 IonicContact OE1-NE 3.71Å; E87-R90 PolarHBondContact OE1-NE 2.53Å; E87-R90 IonicContact OE1-NH2 3.9Å; E87-R90 PolarHBondContact OE1-NH2 3.43Å; E87-R90 WeakPolarHBondContact OE2-CD 3.5Å; E87-R90 IonicContact OE2-CZ 3.92Å; E87-R90 IonicContact OE2-NE 2.78Å; E87-R90 PolarHBondContact OE2-NE 2.94Å; E87-R90 IonicContact OE2-NH2 3.82Å; E87-L91 PolarHBondContact O-N 3.36Å; E87-I154 HydrophobicContact CB-CG2 4.1Å; E87-I154 HydrophobicContact CG-CD1 4.02Å; E87-I154 HydrophobicContact CG-CG1 3.76Å; E87-I154 HydrophobicContact CG-CG2 4.24Å
88I93.9Very high86.5Confident0 Ų070 Ų700%031%0.309CS..Hα-helixtrans-58.4-47.7171.4-68.7-68.3000110.9C84 R90 L91 A92 V138 L141 A142 F145 V147 L151 I154C84-I88 WeakPolarHBondContact O-CG1 3.36Å; C84-I88 PolarHBondContact O-N 2.78Å; I88-R90 VanDerWaalsContact C-N 3.26Å; I88-R90 PolarHBondContact O-N 2.72Å; I88-L91 PolarHBondContact O-N 3.32Å; I88-A92 WeakPolarHBondContact O-CB 3.41Å; I88-A92 PolarHBondContact O-N 3.41Å; I88-V138 HydrophobicContact CD1-CG1 4.26Å; I88-L141 HydrophobicContact CG1-CB 4.12Å; I88-L141 HydrophobicContact CG1-CD1 4.48Å; I88-L141 HydrophobicContact CG2-CB 4.08Å; I88-A142 HydrophobicContact CD1-CB 4.09Å; I88-F145 HydrophobicContact CG2-CB 4.18Å; I88-F145 HydrophobicContact CG2-CD2 3.61Å; I88-F145 HydrophobicContact CG2-CE2 4.35Å; I88-F145 HydrophobicContact CG2-CG 4.14Å; I88-V147 HydrophobicContact CG2-CG2 4.24Å; I88-L151 HydrophobicContact CD1-CD2 4.31Å; I88-I154 HydrophobicContact CD1-CD1 3.63Å; I88-I154 HydrophobicContact CD1-CG2 4.46Å; I88-I154 HydrophobicContact CG1-CD1 4.32Å; I88-I154 HydrophobicContact CG1-CG2 4.27Å
89R91.7Very high84.6Confident39 Ų3968 Ų6815%0.14732%0.317CS..Hα-helixtrans-63-31176.7-73.5173168.3160.2-1.4112.4D65 L85 R86 E87 R93 H111D65-R89 IonicContact OD1-CZ 3.13Å; D65-R89 IonicContact OD1-NH2 2.75Å; D65-R89 PolarHBondContact OD1-NH2 3.4Å; D65-R89 IonicContact OD2-CZ 3.39Å; D65-R89 IonicContact OD2-NH1 3.05Å; D65-R89 PolarHBondContact OD2-NH1 2.81Å; D65-R89 IonicContact OD2-NH2 2.76Å; D65-R89 PolarHBondContact OD2-NH2 3.49Å; L85-R89 WeakPolarHBondContact O-CB 3.3Å; L85-R89 VanDerWaalsContact O-CG 3.26Å; L85-R89 WeakPolarHBondContact O-CG 3.47Å; L85-R89 PolarHBondContact O-N 3.49Å; R86-R89 PolarHBondContact O-N 3.04Å; E87-R89 PolarHBondContact O-N 3.21Å; R89-R93 WeakPolarHBondContact O-CB 3.41Å; R89-R93 WeakPolarHBondContact O-CG 3.4Å; R89-R93 PolarHBondContact O-N 3.33Å; R89-R93 PolarHBondContact O-NE 3.41Å; R89-R93 VanDerWaalsContact O-NE 3.09Å; R89-H111 PolarHBondContact NH2-O 3.26Å
90R90.8Very high82.7Confident111 Ų11167 Ų6742%0.41932%0.315SS..Hα-helixtrans-68.7-47.1175.4-168.9-16771.279.9-0.4111.1R86 E87 I88 R93 K94R86-R90 WeakPolarHBondContact O-CB 3.47Å; R86-R90 PolarHBondContact O-N 2.89Å; E87-R90 VanDerWaalsContact CD-NE 3.29Å; E87-R90 WeakPolarHBondContact O-CB 3.49Å; E87-R90 PolarHBondContact O-N 3.03Å; E87-R90 VanDerWaalsContact O-N 3.11Å; E87-R90 IonicContact OE1-CZ 2.72Å; E87-R90 VanDerWaalsContact OE1-CZ 3.23Å; E87-R90 IonicContact OE1-NE 3.71Å; E87-R90 PolarHBondContact OE1-NE 2.53Å; E87-R90 IonicContact OE1-NH2 3.9Å; E87-R90 PolarHBondContact OE1-NH2 3.43Å; E87-R90 WeakPolarHBondContact OE2-CD 3.5Å; E87-R90 IonicContact OE2-CZ 3.92Å; E87-R90 IonicContact OE2-NE 2.78Å; E87-R90 PolarHBondContact OE2-NE 2.94Å; E87-R90 IonicContact OE2-NH2 3.82Å; I88-R90 VanDerWaalsContact C-N 3.26Å; I88-R90 PolarHBondContact O-N 2.72Å; R90-R93 WeakPolarHBondContact O-CB 3.39Å; R90-R93 PolarHBondContact O-N 3.1Å; R90-K94 PolarHBondContact O-N 3.49Å; R90-K94 VanDerWaalsContact O-N 3.07Å
91L89.3Confident80.4Confident42 Ų4268.7 Ų68.722%0.2234%0.342CS..Hα-helixtrans-66.9-42.4179-69.5178000112.3E87 I88 R93 K94 R95 V147 I154E87-L91 PolarHBondContact O-N 3.36Å; I88-L91 PolarHBondContact O-N 3.32Å; L91-R93 VanDerWaalsContact C-N 3.26Å; L91-R93 PolarHBondContact O-N 2.96Å; L91-K94 PolarHBondContact O-N 2.71Å; L91-K94 VanDerWaalsContact O-N 3.1Å; L91-R95 PolarHBondContact O-N 3.25Å; L91-R95 VanDerWaalsContact O-N 3.08Å; L91-V147 HydrophobicContact CB-CG1 3.8Å; L91-V147 HydrophobicContact CB-CG2 4.28Å; L91-V147 HydrophobicContact CD1-CG1 3.89Å; L91-I154 HydrophobicContact CD1-CD1 3.56Å
92A87.3Confident78.1Confident7 Ų779.2 Ų79.26%0.05838%0.38CS..Hα-helixtrans-62.5-33.3175.800000112.1I88 L109 F145 V147I88-A92 WeakPolarHBondContact O-CB 3.41Å; I88-A92 PolarHBondContact O-N 3.41Å; A92-L109 HydrophobicContact CB-CD2 3.36Å; A92-F145 HydrophobicContact CB-CB 3.93Å; A92-F145 HydrophobicContact CB-CD1 4.46Å; A92-F145 HydrophobicContact CB-CG 4.45Å; A92-V147 HydrophobicContact CB-CG2 3.68Å
93R84.3Confident75.7Confident131 Ų13180.5 Ų80.549%0.49440%0.395SS..Hα-helixtrans-64.7-45.9170-88.7177.8-69.2-165.65.9112.5R89 R90 L91 R95 R96 N97 L109R89-R93 WeakPolarHBondContact O-CB 3.41Å; R89-R93 WeakPolarHBondContact O-CG 3.4Å; R89-R93 PolarHBondContact O-N 3.33Å; R89-R93 PolarHBondContact O-NE 3.41Å; R89-R93 VanDerWaalsContact O-NE 3.09Å; R90-R93 WeakPolarHBondContact O-CB 3.39Å; R90-R93 PolarHBondContact O-N 3.1Å; L91-R93 VanDerWaalsContact C-N 3.26Å; L91-R93 PolarHBondContact O-N 2.96Å; R93-R95 PolarHBondContact O-N 2.95Å; R93-R96 PolarHBondContact O-N 3.43Å; R93-N97 PolarHBondContact O-N 2.85Å; R93-L109 HydrophobicContact CB-CD1 4.35Å; R93-L109 HydrophobicContact CG-CB 4.38Å; R93-L109 HydrophobicContact CG-CD1 3.58Å; R93-L109 HydrophobicContact CG-CD2 3.99Å; R93-L109 HydrophobicContact CG-CG 4.18Å
94K82.8Confident73.4Confident118 Ų11888.9 Ų88.951%0.51343%0.432SS..Hα-helixtrans-59.9-46-178.3-171.4-176.8174.8-171.60111.3R90 L91 R96 N97 D98R90-K94 PolarHBondContact O-N 3.49Å; R90-K94 VanDerWaalsContact O-N 3.07Å; L91-K94 PolarHBondContact O-N 2.71Å; L91-K94 VanDerWaalsContact O-N 3.1Å; K94-R96 VanDerWaalsContact C-N 3.29Å; K94-R96 PolarHBondContact O-N 3.41Å; K94-N97 PolarHBondContact O-N 3.26Å; K94-N97 VanDerWaalsContact O-N 3.09Å; K94-D98 PolarHBondContact O-N 3.17Å
95R73.3Confident71.1Confident93 Ų9395.9 Ų95.935%0.35147%0.47SS..Hα-helixtrans-55.4-41.1177.8-176.9179.8174.5154.68.8112.8L91 R93 N97 D98 D100 G146 E148L91-R95 PolarHBondContact O-N 3.25Å; L91-R95 VanDerWaalsContact O-N 3.08Å; R93-R95 PolarHBondContact O-N 2.95Å; R95-N97 VanDerWaalsContact C-N 3.33Å; R95-N97 PolarHBondContact O-N 3.03Å; R95-D98 PolarHBondContact O-N 2.96Å; R95-D100 IonicContact CZ-OD2 2.8Å; R95-D100 IonicContact NE-OD2 3.9Å; R95-D100 PolarHBondContact NE-OD2 2.91Å; R95-D100 IonicContact NH2-OD2 2.87Å; R95-D100 PolarHBondContact NH2-OD2 3.32Å; R95-G146 WeakPolarHBondContact CD-O 3.33Å; R95-G146 PolarHBondContact NH1-O 3.23Å; R95-E148 IonicContact CZ-OE1 3.85Å; R95-E148 IonicContact NH1-OE1 2.82Å; R95-E148 PolarHBondContact NH1-OE1 3.1Å; R95-E148 IonicContact NH2-OE1 3.2Å
96R67.2Low69Low105 Ų10598 Ų9840%0.39648%0.484SS..Hα-helixtrans-63.2-38.3178.3-71.6-168.2-178.4-157.8-2.9113R93 K94 D98 V107 L109R93-R96 PolarHBondContact O-N 3.43Å; K94-R96 VanDerWaalsContact C-N 3.29Å; K94-R96 PolarHBondContact O-N 3.41Å; R96-D98 VanDerWaalsContact C-N 3.31Å; R96-V107 VanDerWaalsContact NH2-C 3.35Å; R96-V107 PolarHBondContact NH2-O 2.93Å; R96-L109 VanDerWaalsContact CD-CD1 3.49Å; R96-L109 HydrophobicContact CG-CD1 4.34Å
97N63.8Low67.2Low140 Ų14093 Ų9375%0.74947%0.47SS*.Hα-helixtrans-73.3-25.2-177.7-70.2-7.7000112.6R93 K94 R95 G99R93-N97 PolarHBondContact O-N 2.85Å; K94-N97 PolarHBondContact O-N 3.26Å; K94-N97 VanDerWaalsContact O-N 3.09Å; R95-N97 VanDerWaalsContact C-N 3.33Å; R95-N97 PolarHBondContact O-N 3.03Å; N97-G99 VanDerWaalsContact C-N 3.32Å; N97-G99 PolarHBondContact O-N 3.48Å
98D62Low65.5Low127 Ų12791.4 Ų91.468%0.67946%0.464SS*.THydrogen-bonded Turntrans-84.46.1-176.4-71-19.9000114.1K94 R95 R96K94-D98 PolarHBondContact O-N 3.17Å; R95-D98 PolarHBondContact O-N 2.96Å; R96-D98 VanDerWaalsContact C-N 3.31Å
99G51.3Low63.9Low61 Ų6193 Ų9363%0.62947%0.473SS*.THydrogen-bonded Turntrans1223.6161.300000118.2N97 A101N97-G99 VanDerWaalsContact C-N 3.32Å; N97-G99 PolarHBondContact O-N 3.48Å; G99-A101 PolarHBondContact O-N 3.34Å
100D50.5Low62.6Low96 Ų9695.9 Ų95.951%0.51350%0.499SS..  trans-85.942.5-178.5-131.11.7000112.7R95 R102R95-D100 IonicContact CZ-OD2 2.8Å; R95-D100 IonicContact NE-OD2 3.9Å; R95-D100 PolarHBondContact NE-OD2 2.91Å; R95-D100 IonicContact NH2-OD2 2.87Å; R95-D100 PolarHBondContact NH2-OD2 3.32Å; D100-R102 PolarHBondContact O-N 2.99Å
101A45.6Very low62.2Low96 Ų9691.5 Ų91.579%0.79348%0.483SS*.THydrogen-bonded Turntrans-76.927.9-175.600000114.1G99G99-A101 PolarHBondContact O-N 3.34Å
102R43.6Very low62.3Low240 Ų24093.1 Ų93.191%0.90649%0.488SS*.THydrogen-bonded Turntrans-110.71.9-173.6-77.6-170.6175-177.3-0.4116D100D100-R102 PolarHBondContact O-N 2.99Å
103S45.3Very low62.7Low79 Ų7992.8 Ų92.855%0.55249%0.486SS*.  trans-100.7105.8169.664.40000110.6D105S103-D105 PolarHBondContact O-N 2.8Å
104E44.1Very low63.3Low193 Ų19387 Ų8790%0.90246%0.464SS*.SBendtrans-60.2-15.9166.8-74178.9151.500112.1S106E104-S106 PolarHBondContact O-N 3.05Å
105D47.4Very low64Low148 Ų14881.6 Ų81.679%0.79144%0.441SS*.  trans-76.450.9169.6-72.9-26.4000113.3S103 V107S103-D105 PolarHBondContact O-N 2.8Å; D105-V107 PolarHBondContact O-N 2.74Å
106S49.4Very low65.2Low46 Ų4677.5 Ų77.532%0.32243%0.427SS..  trans-73.986.3-177.355.40000111.6E104 G108E104-S106 PolarHBondContact O-N 3.05Å; S106-G108 VanDerWaalsContact C-N 3.28Å; S106-G108 PolarHBondContact O-N 2.78Å
107V55.1Low66.6Low40 Ų4072.9 Ų72.924%0.24241%0.41CS..  trans-60.593.8164.6-178.90000107.9I58 R96 D105 L109I58-V107 HydrophobicContact CB-CG1 3.69Å; I58-V107 HydrophobicContact CD1-CG1 3.7Å; I58-V107 HydrophobicContact CG1-CG1 4.27Å; I58-V107 HydrophobicContact CG2-CG1 3.35Å; R96-V107 VanDerWaalsContact NH2-C 3.35Å; R96-V107 PolarHBondContact NH2-O 2.93Å; D105-V107 PolarHBondContact O-N 2.74Å; V107-L109 PolarHBondContact O-N 2.98Å
108G57.3Low68.1Low7 Ų768.1 Ų68.17%0.07239%0.386CS..  trans-59.5132.7-169.200000111.6S106 S110 H111S106-G108 VanDerWaalsContact C-N 3.28Å; S106-G108 PolarHBondContact O-N 2.78Å; G108-S110 PolarHBondContact O-N 3.45Å; G108-S110 VanDerWaalsContact O-N 3.07Å; G108-H111 WeakPolarHBondContact CA-NE2 3.41Å; G108-H111 PolarHBondContact N-CE1 2.76Å; G108-H111 PolarHBondContact N-ND1 3.13Å; G108-H111 PolarHBondContact N-NE2 2.94Å; G108-H111 WeakPolarHBondContact O-CB 3.49Å; G108-H111 PolarHBondContact O-CD2 3.46Å; G108-H111 PolarHBondContact O-N 2.86Å
109L59.3Low69.5Low34 Ų3463 Ų6318%0.17836%0.359CS..THydrogen-bonded Turntrans-63.3-13.4177.6-70.7142000113.7A92 R93 R96 V107A92-L109 HydrophobicContact CB-CD2 3.36Å; R93-L109 HydrophobicContact CB-CD1 4.35Å; R93-L109 HydrophobicContact CG-CB 4.38Å; R93-L109 HydrophobicContact CG-CD1 3.58Å; R93-L109 HydrophobicContact CG-CD2 3.99Å; R93-L109 HydrophobicContact CG-CG 4.18Å; R96-L109 VanDerWaalsContact CD-CD1 3.49Å; R96-L109 HydrophobicContact CG-CD1 4.34Å; V107-L109 PolarHBondContact O-N 2.98Å
110S64.9Low71.3Confident100 Ų10064.2 Ų64.270%0.69935%0.351SS*.THydrogen-bonded Turntrans-85.3-13.117153.10000113.4G108G108-S110 PolarHBondContact O-N 3.45Å; G108-S110 VanDerWaalsContact O-N 3.07Å
111H82.9Confident72.8Confident18 Ų1860.1 Ų60.18%0.08333%0.328CS..SBendtrans-67.4140.7-179.9-61.2-179.5000109.4I58 R60 R89 G108I58-H111 HydrophobicContact CG2-CB 3.41Å; I58-H111 VanDerWaalsContact CG2-CB 3.41Å; R60-H111 WeakPolarHBondContact CG-CE1 3.28Å; R60-H111 WeakPolarHBondContact CG-NE2 3.48Å; R60-H111 PolarHBondContact NE-CE1 3.06Å; R60-H111 PolarHBondContact NE-NE2 3.4Å; R60-H111 VanDerWaalsContact NE-NE2 3.14Å; R89-H111 PolarHBondContact NH2-O 3.26Å; G108-H111 WeakPolarHBondContact CA-NE2 3.41Å; G108-H111 PolarHBondContact N-CE1 2.76Å; G108-H111 PolarHBondContact N-ND1 3.13Å; G108-H111 PolarHBondContact N-NE2 2.94Å; G108-H111 WeakPolarHBondContact O-CB 3.49Å; G108-H111 PolarHBondContact O-CD2 3.46Å; G108-H111 PolarHBondContact O-N 2.86Å
112K91.8Very high74Confident76 Ų7658.3 Ų58.333%0.3331%0.309SS..EExtended strand (participates in β ladder)trans-79157.4175.9-54.5-65.3-172.8176.50110F62 Q63 E64 D65F62-K112 HydrophobicContact CB-CB 3.71Å; F62-K112 WeakPolarHBondContact CD2-O 3.4Å; F62-K112 VanDerWaalsContact O-CG 3.26Å; F62-K112 WeakPolarHBondContact O-CG 3.38Å; Q63-K112 WeakPolarHBondContact O-CE 3.41Å; E64-K112 WeakPolarHBondContact O-CB 3.5Å; D65-K112 WeakPolarHBondContact OD1-CA 3.49Å; D65-K112 WeakPolarHBondContact OD1-CB 3.35Å
113V95Very high74.9Confident0 Ų050.2 Ų50.20%029%0.286CS..EExtended strand (participates in β ladder)trans-118.1131.9-177.1-56.80000111V56 A57 I58 D65 R66 L85 I115 F145V56-V113 HydrophobicContact CG1-CB 4.42Å; A57-V113 WeakPolarHBondContact O-CA 3.44Å; I58-V113 HydrophobicContact CG1-CG1 4.05Å; D65-V113 CarbonylContact C-O 3.59Å; D65-V113 VanDerWaalsContact CA-O 3.26Å; D65-V113 WeakPolarHBondContact CA-O 3.35Å; D65-V113 HydrophobicContact CB-CG2 4.21Å; D65-V113 PolarHBondContact OD1-N 2.92Å; R66-V113 PolarHBondContact N-O 3.33Å; L85-V113 HydrophobicContact CD2-CG2 3.96Å; V113-I115 HydrophobicContact CB-CG1 4.34Å; V113-I115 HydrophobicContact CG2-CD1 3.84Å; V113-I115 HydrophobicContact CG2-CG1 4Å; V113-F145 HydrophobicContact CG1-CE2 4Å; V113-F145 HydrophobicContact CG1-CZ 3.75Å
114H97.2Very high75.5Confident11 Ų1148.5 Ų48.55%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-103.2129.5166.3-76.6-173.5000108.2V56 A57 F62 R66 W68 L393 G397V56-H114 WeakPolarHBondContact CA-O 3.43Å; A57-H114 HydrophobicContact CB-CB 4.46Å; A57-H114 PolarHBondContact N-O 3.39Å; A57-H114 PolarHBondContact O-N 2.91Å; F62-H114 AromaticContact CD1-CE1 3.71Å; F62-H114 HydrophobicContact CD2-CB 4.3Å; F62-H114 AromaticContact CD2-CD2 3.81Å; F62-H114 AromaticContact CD2-CG 3.85Å; F62-H114 AromaticContact CE1-CE1 3.96Å; F62-H114 AromaticContact CE1-ND1 3.9Å; F62-H114 HydrophobicContact CE2-CB 3.94Å; F62-H114 AromaticContact CE2-CG 3.83Å; F62-H114 AromaticContact CE2-ND1 4Å; F62-H114 AromaticContact CG-CD2 3.99Å; F62-H114 AromaticContact CG-CE1 3.89Å; F62-H114 AromaticContact CG-NE2 3.78Å; F62-H114 HydrophobicContact CZ-CB 4.44Å; F62-H114 AromaticContact CZ-ND1 3.9Å; R66-H114 WeakPolarHBondContact CD-NE2 3.47Å; W68-H114 HydrophobicContact CH2-CB 4.47Å; W68-H114 HydrophobicContact CZ3-CB 3.9Å; H114-L393 HydrophobicContact CB-CD1 4.23Å; H114-L393 VanDerWaalsContact O-CD1 3.3Å; H114-L393 WeakPolarHBondContact O-CD1 3.25Å; H114-G397 WeakPolarHBondContact CB-O 3.48Å; H114-G397 PolarHBondContact ND1-O 3.02Å
115I97.9Very high76.2Confident4 Ų439.3 Ų39.32%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-127.7121.8-171.7-50.4-176.8000108.6T54 T55 V56 R66 L67 W68 L85 V113 L137 L141T54-I115 HydrophobicContact CG2-CG2 3.72Å; T55-I115 CarbonylContact O-C 3.49Å; T55-I115 WeakPolarHBondContact O-CA 3.29Å; V56-I115 HydrophobicContact CG2-CG1 4.22Å; V56-I115 HydrophobicContact CG2-CG2 4.19Å; R66-I115 PolarHBondContact O-N 3.28Å; L67-I115 CarbonylContact C-O 3.46Å; L67-I115 VanDerWaalsContact CA-O 3.3Å; L67-I115 WeakPolarHBondContact CA-O 3.2Å; L67-I115 HydrophobicContact CD1-CB 3.74Å; L67-I115 HydrophobicContact CD1-CG2 3.59Å; W68-I115 PolarHBondContact N-O 3.15Å; L85-I115 HydrophobicContact CD2-CD1 4.32Å; V113-I115 HydrophobicContact CB-CG1 4.34Å; V113-I115 HydrophobicContact CG2-CD1 3.84Å; V113-I115 HydrophobicContact CG2-CG1 4Å; I115-L137 HydrophobicContact CD1-CD1 3.63Å; I115-L137 HydrophobicContact CG2-CD1 3.92Å; I115-L141 HydrophobicContact CD1-CD2 4.28Å
116C97.9Very high76.9Confident7 Ų733 Ų335%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-118.6130.8172-174.60000109.4T54 T55 W68 L392 L393T54-C116 CarbonylContact C-O 3.58Å; T54-C116 WeakPolarHBondContact CA-O 3.41Å; T55-C116 PolarHBondContact N-O 3.48Å; T55-C116 PolarHBondContact O-N 2.84Å; W68-C116 HydrophobicContact CB-CB 4.5Å; W68-C116 CarbonylContact O-C 3.52Å; W68-C116 WeakPolarHBondContact O-CA 3.21Å; C116-L392 HydrophobicContact CB-CB 3.88Å; C116-L392 WeakPolarHBondContact O-CD1 3.41Å; C116-L393 HydrophobicContact CB-CD2 3.48Å; C116-L393 VanDerWaalsContact CB-CD2 3.48Å; C116-L393 HydrophobicContact CB-CG 3.84Å
117S96.5Very high77.8Confident8 Ų831.1 Ų31.16%0.05619%0.189CC..EExtended strand (participates in β ladder)trans-133.6138.9-178.2-162.60000111.4T52 T53 T54 W68 L69 N70T52-S117 WeakPolarHBondContact CG2-OG 3.43Å; T53-S117 CarbonylContact O-C 3.46Å; T53-S117 VanDerWaalsContact O-CA 3.28Å; T53-S117 WeakPolarHBondContact O-CA 3.26Å; T53-S117 PolarHBondContact O-OG 2.8Å; T54-S117 PolarHBondContact OG1-OG 2.66Å; W68-S117 PolarHBondContact O-N 2.86Å; L69-S117 WeakPolarHBondContact CA-O 3.47Å; N70-S117 PolarHBondContact N-O 3.05Å
118V95.3Very high78.6Confident39 Ų3930.2 Ų30.224%0.23619%0.187CC..EExtended strand (participates in β ladder)trans-134.6151.6174.9-58.50000110.9T52 T53 N70 L392T52-V118 WeakPolarHBondContact CA-O 3.47Å; T53-V118 PolarHBondContact N-O 3.16Å; T53-V118 PolarHBondContact O-N 3.33Å; N70-V118 WeakPolarHBondContact OD1-CA 3.27Å; V118-L392 HydrophobicContact CG1-CD1 4.27Å; V118-L392 HydrophobicContact CG1-CD2 4.36Å; V118-L392 HydrophobicContact CG2-CD1 3.87Å; V118-L392 HydrophobicContact CG2-CD2 3.86Å
119N91.5Very high79.8Confident21 Ų2130.8 Ų30.811%0.11219%0.189CC..EExtended strand (participates in β ladder)trans-113.9142.1172.1-58.9-36.3000109.6T52 N70 F121 S129T52-N119 WeakPolarHBondContact CB-OD1 3.4Å; T52-N119 WeakPolarHBondContact CG2-OD1 3.13Å; T52-N119 PolarHBondContact OG1-OD1 2.97Å; N70-N119 PolarHBondContact OD1-N 3.47Å; N70-N119 VanDerWaalsContact OD1-N 3.13Å; N119-F121 HydrophobicContact CB-CD1 4.37Å; N119-F121 HydrophobicContact CB-CD2 4.41Å; N119-F121 HydrophobicContact CB-CE1 4.15Å; N119-F121 HydrophobicContact CB-CE2 4.21Å; N119-F121 HydrophobicContact CB-CG 4.48Å; N119-F121 HydrophobicContact CB-CZ 4.06Å; N119-F121 PolarHBondContact O-N 3Å; N119-S129 PolarHBondContact ND2-OG 2.89Å
120N89.6Confident81.2Confident85 Ų8532 Ų3246%0.45520%0.201SC..SBendtrans-86.911.1172.676.5-24.9000113.3Q49 K51Q49-N120 PolarHBondContact O-ND2 3.47Å; K51-N120 PolarHBondContact N-OD1 3.45Å; K51-N120 PolarHBondContact O-N 3.22Å; K51-N120 PolarHBondContact O-OD1 3.11Å; K51-N120 VanDerWaalsContact O-OD1 3.08Å
121F81.8Confident82.6Confident11 Ų1127.2 Ų27.25%0.04817%0.167CC..SBendtrans-131.8151.7176.953.1-92.5000110.5V18 L50 N119 T123 L127 A132V18-F121 HydrophobicContact CG2-CD1 4.28Å; V18-F121 HydrophobicContact CG2-CE1 3.47Å; V18-F121 VanDerWaalsContact CG2-CE1 3.47Å; V18-F121 HydrophobicContact CG2-CE2 4.2Å; V18-F121 HydrophobicContact CG2-CZ 3.43Å; V18-F121 VanDerWaalsContact CG2-CZ 3.43Å; L50-F121 HydrophobicContact CB-CD1 4.2Å; L50-F121 HydrophobicContact CD2-CB 3.54Å; L50-F121 HydrophobicContact CD2-CD1 3.7Å; L50-F121 HydrophobicContact CD2-CG 3.85Å; N119-F121 HydrophobicContact CB-CD1 4.37Å; N119-F121 HydrophobicContact CB-CD2 4.41Å; N119-F121 HydrophobicContact CB-CE1 4.15Å; N119-F121 HydrophobicContact CB-CE2 4.21Å; N119-F121 HydrophobicContact CB-CG 4.48Å; N119-F121 HydrophobicContact CB-CZ 4.06Å; N119-F121 PolarHBondContact O-N 3Å; F121-T123 PolarHBondContact O-N 3.48Å; F121-L127 HydrophobicContact CB-CD1 4.36Å; F121-L127 HydrophobicContact CD2-CB 4.2Å; F121-L127 HydrophobicContact CE2-CB 4.5Å; F121-A132 HydrophobicContact CZ-CB 4.44Å
122P69.1Low83.2Confident58 Ų5826.4 Ų26.438%0.37716%0.163SC..  trans-64124-176.7-1930.6000111.2A124 A125 Y372P122-A124 PolarHBondContact O-N 3.11Å; P122-A124 VanDerWaalsContact O-N 3.1Å; P122-A125 HydrophobicContact CB-CB 3.95Å; P122-A125 HydrophobicContact CG-CB 4.27Å; P122-A125 WeakPolarHBondContact O-CB 3.33Å; P122-A125 PolarHBondContact O-N 3.09Å; P122-Y372 WeakPolarHBondContact CG-OH 3.26Å
123T62.9Low83.4Confident70 Ų7023.7 Ų23.743%0.42916%0.157SC..THydrogen-bonded Turntrans-55.3-31.3178.5-60.40000112.6N70 F121N70-T123 PolarHBondContact ND2-OG1 3.35Å; F121-T123 PolarHBondContact O-N 3.48Å
124A59.2Low83.5Confident42 Ų4225 Ų2535%0.34716%0.163SC..THydrogen-bonded Turntrans-83.7-12.9179.100000114.5P122 G126 S207P122-A124 PolarHBondContact O-N 3.11Å; P122-A124 VanDerWaalsContact O-N 3.1Å; A124-G126 PolarHBondContact O-N 2.92Å; A124-S207 WeakPolarHBondContact CB-O 3.31Å
125A57.7Low83.6Confident1 Ų124.5 Ų24.51%0.00816%0.16CC..SBendtrans-72.616.4-178.400000114.4P122 L127 N312P122-A125 HydrophobicContact CB-CB 3.95Å; P122-A125 HydrophobicContact CG-CB 4.27Å; P122-A125 WeakPolarHBondContact O-CB 3.33Å; P122-A125 PolarHBondContact O-N 3.09Å; A125-L127 HydrophobicContact CB-CD1 4.31Å; A125-L127 PolarHBondContact O-N 2.76Å; A125-N312 PolarHBondContact O-ND2 2.86Å
126G62.2Low83.6Confident15 Ų1524.3 Ų24.316%0.15516%0.159CC..  trans65.85.7173.500000116.7A124 A128 K210A124-G126 PolarHBondContact O-N 2.92Å; G126-A128 PolarHBondContact O-N 2.84Å; G126-K210 VanDerWaalsContact CA-CE 3.41Å
127L68.8Low83.6Confident6 Ų624.4 Ų24.43%0.03116%0.159CC..SBendtrans-78.547.6-176.9-68.5168.6000114V18 L50 F121 A125 S129 V202 I374V18-L127 WeakPolarHBondContact CG1-O 3.4Å; L50-L127 HydrophobicContact CD2-CD1 4.41Å; F121-L127 HydrophobicContact CB-CD1 4.36Å; F121-L127 HydrophobicContact CD2-CB 4.2Å; F121-L127 HydrophobicContact CE2-CB 4.5Å; A125-L127 HydrophobicContact CB-CD1 4.31Å; A125-L127 PolarHBondContact O-N 2.76Å; L127-S129 PolarHBondContact O-N 2.89Å; L127-V202 HydrophobicContact CD1-CG1 4.39Å; L127-V202 HydrophobicContact CD2-CB 4.33Å; L127-V202 HydrophobicContact CD2-CG1 3.4Å; L127-V202 VanDerWaalsContact CD2-CG1 3.4Å; L127-V202 HydrophobicContact CD2-CG2 4.04Å; L127-V202 HydrophobicContact CG-CG1 4.37Å; L127-I374 HydrophobicContact CD1-CD1 3.97Å
128A72.4Confident83.7Confident22 Ų2224 Ų2418%0.18216%0.157CC..  trans45.739.7176.300000114.8V18 G126 S130 A131V18-A128 HydrophobicContact CG1-CB 4.3Å; G126-A128 PolarHBondContact O-N 2.84Å; A128-S130 PolarHBondContact O-N 2.78Å; A128-S130 VanDerWaalsContact O-N 3.11Å; A128-A131 HydrophobicContact CB-CB 4.14Å; A128-A131 VanDerWaalsContact O-CB 3.28Å; A128-A131 WeakPolarHBondContact O-CB 3.15Å; A128-A131 PolarHBondContact O-N 3.48Å
129S80.8Confident83.9Confident19 Ų1924.5 Ų24.513%0.13316%0.155CC..Hα-helixtrans-51.1-38.2-176.5179.10000113.7N119 L127 A131 G133N119-S129 PolarHBondContact ND2-OG 2.89Å; L127-S129 PolarHBondContact O-N 2.89Å; S129-A131 VanDerWaalsContact C-N 3.31Å; S129-A131 PolarHBondContact O-N 3.33Å; S129-G133 PolarHBondContact O-N 3.38Å
130S89.9Confident84.2Confident59 Ų5923.5 Ų23.541%0.41315%0.149SC..Hα-helixtrans-65.8-31.4176.764.40000113.4A128 F134 S159A128-S130 PolarHBondContact O-N 2.78Å; A128-S130 VanDerWaalsContact O-N 3.11Å; S130-F134 WeakPolarHBondContact O-CD2 3.48Å; S130-F134 PolarHBondContact O-N 2.95Å; S130-S159 PolarHBondContact OG-OG 2.97Å
131A94.2Very high84.5Confident0 Ų019.4 Ų19.40%013%0.128CC..Hα-helixtrans-67.3-53.3-179.700000111A128 S129 G133 A135 S161 A162A128-A131 HydrophobicContact CB-CB 4.14Å; A128-A131 VanDerWaalsContact O-CB 3.28Å; A128-A131 WeakPolarHBondContact O-CB 3.15Å; A128-A131 PolarHBondContact O-N 3.48Å; S129-A131 VanDerWaalsContact C-N 3.31Å; S129-A131 PolarHBondContact O-N 3.33Å; A131-G133 VanDerWaalsContact C-N 3.32Å; A131-G133 PolarHBondContact O-N 3.48Å; A131-A135 VanDerWaalsContact O-CB 3.3Å; A131-A135 WeakPolarHBondContact O-CB 3.3Å; A131-A135 PolarHBondContact O-N 3.19Å; A131-A135 VanDerWaalsContact O-N 3.07Å; A131-S161 WeakPolarHBondContact CB-OG 3.4Å; A131-A162 WeakPolarHBondContact O-CA 3.13Å; A131-A162 WeakPolarHBondContact O-CB 3.21Å
132A95.8Very high85.2Confident0 Ų018.9 Ų18.90%013%0.125CC..Hα-helixtrans-63.3-40.4175.800000111.3P17 V18 T52 F121 A135 C136P17-A132 WeakPolarHBondContact O-CB 3.31Å; V18-A132 HydrophobicContact CG2-CB 3.95Å; T52-A132 VanDerWaalsContact OG1-CB 3.3Å; T52-A132 WeakPolarHBondContact OG1-CB 3.33Å; F121-A132 HydrophobicContact CZ-CB 4.44Å; A132-A135 PolarHBondContact O-N 3.04Å; A132-C136 VanDerWaalsContact O-CB 3.25Å; A132-C136 WeakPolarHBondContact O-CB 3.29Å; A132-C136 PolarHBondContact O-N 2.83Å
133G95.9Very high86.5Confident19 Ų1920 Ų2020%0.19613%0.125CC..Hα-helixtrans-54-57.6175.800000114S129 A131 C136 L137S129-G133 PolarHBondContact O-N 3.38Å; A131-G133 VanDerWaalsContact C-N 3.32Å; A131-G133 PolarHBondContact O-N 3.48Å; G133-C136 PolarHBondContact O-N 2.82Å; G133-L137 WeakPolarHBondContact O-CB 3.33Å; G133-L137 PolarHBondContact O-N 2.89Å
134F97.5Very high87.9Confident28 Ų2817.1 Ų17.112%0.12311%0.109CC..Hα-helixtrans-70.7-32.6-178.8-84.2-77.9000113R80 L81 S130 L137 V138 G158 A162R80-F134 HydrophobicContact CB-CE1 4.2Å; R80-F134 HydrophobicContact CB-CZ 3.81Å; L81-F134 HydrophobicContact CD2-CE1 3.67Å; L81-F134 HydrophobicContact CD2-CZ 3.97Å; L81-F134 HydrophobicContact CG-CE1 4.21Å; L81-F134 HydrophobicContact CG-CZ 4.24Å; S130-F134 WeakPolarHBondContact O-CD2 3.48Å; S130-F134 PolarHBondContact O-N 2.95Å; F134-L137 HydrophobicContact CD1-CD2 4Å; F134-L137 HydrophobicContact CE1-CD2 4.23Å; F134-V138 WeakPolarHBondContact O-CB 3.47Å; F134-V138 WeakPolarHBondContact O-CG2 3.48Å; F134-V138 PolarHBondContact O-N 3.11Å; F134-G158 VanDerWaalsContact CE1-CA 3.41Å; F134-G158 WeakPolarHBondContact CE2-O 3.2Å; F134-A162 HydrophobicContact CB-CB 3.75Å
135A98.4Very high89.4Confident0 Ų016.2 Ų16.20%010%0.097CC..Hα-helixtrans-63.1-46.5172.900000111A16 A131 A132 V138 Y139 A162 M166A16-A135 HydrophobicContact CB-CB 4.2Å; A131-A135 VanDerWaalsContact O-CB 3.3Å; A131-A135 WeakPolarHBondContact O-CB 3.3Å; A131-A135 PolarHBondContact O-N 3.19Å; A131-A135 VanDerWaalsContact O-N 3.07Å; A132-A135 PolarHBondContact O-N 3.04Å; A135-V138 PolarHBondContact O-N 3.14Å; A135-Y139 VanDerWaalsContact O-CB 3.25Å; A135-Y139 WeakPolarHBondContact O-CB 3.5Å; A135-Y139 PolarHBondContact O-N 3.49Å; A135-A162 HydrophobicContact CB-CB 4.37Å; A135-M166 HydrophobicContact CB-SD 3.81Å
136C98.4Very high91Very high0 Ų017.7 Ų17.70%011%0.112CC..Hα-helixtrans-62.9-44.9177.5-154.60000111.4C14 A16 T52 T54 A132 G133 Y139 T140C14-C136 PolarHBondContact O-SG 2.83Å; C14-C136 VanDerWaalsContact O-SG 3.34Å; A16-C136 HydrophobicContact CB-CB 3.52Å; T52-C136 HydrophobicContact CG2-CB 3.78Å; T52-C136 PolarHBondContact O-SG 2.82Å; T54-C136 VanDerWaalsContact CB-SG 3.56Å; T54-C136 PolarHBondContact N-SG 3.02Å; T54-C136 WeakPolarHBondContact OG1-CB 3.38Å; T54-C136 PolarHBondContact OG1-SG 3.27Å; A132-C136 VanDerWaalsContact O-CB 3.25Å; A132-C136 WeakPolarHBondContact O-CB 3.29Å; A132-C136 PolarHBondContact O-N 2.83Å; G133-C136 PolarHBondContact O-N 2.82Å; C136-Y139 PolarHBondContact O-N 3.33Å; C136-T140 VanDerWaalsContact O-CB 3.31Å; C136-T140 WeakPolarHBondContact O-CB 3.48Å; C136-T140 PolarHBondContact O-N 3.39Å; C136-T140 PolarHBondContact O-OG1 2.88Å
137L98.3Very high92.3Very high9 Ų917.4 Ų17.45%0.04711%0.107CC..Hα-helixtrans-56-55.1175.817463.9000111.8L81 I115 G133 F134 Y139 T140 L141L81-L137 HydrophobicContact CD2-CD2 3.5Å; I115-L137 HydrophobicContact CD1-CD1 3.63Å; I115-L137 HydrophobicContact CG2-CD1 3.92Å; G133-L137 WeakPolarHBondContact O-CB 3.33Å; G133-L137 PolarHBondContact O-N 2.89Å; F134-L137 HydrophobicContact CD1-CD2 4Å; F134-L137 HydrophobicContact CE1-CD2 4.23Å; L137-Y139 PolarHBondContact O-N 3.16Å; L137-T140 PolarHBondContact O-N 3.5Å; L137-L141 HydrophobicContact CD1-CD1 3.61Å; L137-L141 HydrophobicContact CD1-CG 4.04Å; L137-L141 HydrophobicContact CG-CD1 3.81Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.24Å; L137-L141 WeakPolarHBondContact O-CG 3.25Å; L137-L141 PolarHBondContact O-N 2.9Å
138V98.3Very high93.3Very high0 Ų024.2 Ų24.20%014%0.139CC..Hα-helixtrans-64-43.6-177.1167.40000111.1C84 I88 F134 A135 L141 A142 L151 I154 A155C84-V138 HydrophobicContact CB-CG2 4.02Å; I88-V138 HydrophobicContact CD1-CG1 4.26Å; F134-V138 WeakPolarHBondContact O-CB 3.47Å; F134-V138 WeakPolarHBondContact O-CG2 3.48Å; F134-V138 PolarHBondContact O-N 3.11Å; A135-V138 PolarHBondContact O-N 3.14Å; V138-L141 PolarHBondContact O-N 2.95Å; V138-A142 VanDerWaalsContact O-CB 3.29Å; V138-A142 WeakPolarHBondContact O-CB 3.33Å; V138-A142 PolarHBondContact O-N 2.95Å; V138-L151 HydrophobicContact CG1-CB 4.21Å; V138-I154 HydrophobicContact CG1-CB 3.88Å; V138-I154 HydrophobicContact CG1-CG2 3.99Å; V138-I154 HydrophobicContact CG2-CB 4.41Å; V138-I154 HydrophobicContact CG2-CG2 3.87Å; V138-A155 HydrophobicContact CB-CB 4.32Å; V138-A155 HydrophobicContact CG1-CB 4.4Å; V138-A155 HydrophobicContact CG2-CB 4.3Å
139Y98.5Very high94.1Very high49 Ų4926.3 Ų26.319%0.19216%0.163CC..Hα-helixtrans-63.2-46.3177.6-170.9-97.6000111.7C14 A135 C136 L137 L141 A142 Q143 L151 M166 P382 V384C14-Y139 HydrophobicContact CB-CD1 3.74Å; C14-Y139 HydrophobicContact CB-CE1 4.19Å; A135-Y139 VanDerWaalsContact O-CB 3.25Å; A135-Y139 WeakPolarHBondContact O-CB 3.5Å; A135-Y139 PolarHBondContact O-N 3.49Å; C136-Y139 PolarHBondContact O-N 3.33Å; L137-Y139 PolarHBondContact O-N 3.16Å; Y139-L141 PolarHBondContact O-N 2.92Å; Y139-A142 WeakPolarHBondContact O-CB 3.47Å; Y139-A142 PolarHBondContact O-N 3.24Å; Y139-Q143 HydrophobicContact CD1-CG 4.24Å; Y139-Q143 HydrophobicContact CE1-CG 3.97Å; Y139-Q143 WeakPolarHBondContact O-CG 3.36Å; Y139-Q143 PolarHBondContact O-N 3.11Å; Y139-L151 HydrophobicContact CD2-CD1 4.32Å; Y139-M166 HydrophobicContact CD2-CE 3.98Å; Y139-P382 HydrophobicContact CD1-CB 3.59Å; Y139-P382 HydrophobicContact CD2-CB 3.76Å; Y139-P382 HydrophobicContact CD2-CG 4.22Å; Y139-P382 HydrophobicContact CE1-CB 3.95Å; Y139-P382 HydrophobicContact CE2-CB 4.09Å; Y139-P382 HydrophobicContact CG-CB 3.49Å; Y139-P382 VanDerWaalsContact CG-CB 3.49Å; Y139-P382 HydrophobicContact CG-CG 4.19Å; Y139-V384 HydrophobicContact CE1-CG2 4.15Å
140T98.4Very high94.7Very high0 Ų029.2 Ų29.20%017%0.174CC..Hα-helixtrans-64.7-42.6179.4-46.40000111.6V12 C14 V56 C136 L137 A142 Q143 A144V12-T140 HydrophobicContact CB-CG2 4.34Å; V12-T140 HydrophobicContact CG1-CG2 4.18Å; V12-T140 VanDerWaalsContact O-CG2 3.3Å; V12-T140 WeakPolarHBondContact O-CG2 3.18Å; C14-T140 HydrophobicContact CB-CG2 4.4Å; C14-T140 WeakPolarHBondContact CB-OG1 3.45Å; V56-T140 HydrophobicContact CB-CG2 3.89Å; V56-T140 HydrophobicContact CG2-CG2 3.57Å; C136-T140 VanDerWaalsContact O-CB 3.31Å; C136-T140 WeakPolarHBondContact O-CB 3.48Å; C136-T140 PolarHBondContact O-N 3.39Å; C136-T140 PolarHBondContact O-OG1 2.88Å; L137-T140 PolarHBondContact O-N 3.5Å; T140-A142 VanDerWaalsContact C-N 3.34Å; T140-Q143 PolarHBondContact O-N 2.97Å; T140-A144 WeakPolarHBondContact O-CB 3.38Å; T140-A144 PolarHBondContact O-N 3.46Å
141L96.6Very high95Very high0 Ų027 Ų270%016%0.158CC..Hα-helixtrans-62.5-42.7174.9-74.9168.7000111.1V56 L85 I88 I115 L137 V138 Y139 Q143 A144 F145V56-L141 HydrophobicContact CG1-CD2 3.97Å; V56-L141 HydrophobicContact CG2-CD2 4.05Å; V56-L141 HydrophobicContact CG2-CG 4.2Å; L85-L141 HydrophobicContact CD2-CD1 3.74Å; L85-L141 HydrophobicContact CD2-CD2 3.98Å; I88-L141 HydrophobicContact CG1-CB 4.12Å; I88-L141 HydrophobicContact CG1-CD1 4.48Å; I88-L141 HydrophobicContact CG2-CB 4.08Å; I115-L141 HydrophobicContact CD1-CD2 4.28Å; L137-L141 HydrophobicContact CD1-CD1 3.61Å; L137-L141 HydrophobicContact CD1-CG 4.04Å; L137-L141 HydrophobicContact CG-CD1 3.81Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.24Å; L137-L141 WeakPolarHBondContact O-CG 3.25Å; L137-L141 PolarHBondContact O-N 2.9Å; V138-L141 PolarHBondContact O-N 2.95Å; Y139-L141 PolarHBondContact O-N 2.92Å; L141-Q143 VanDerWaalsContact C-N 3.33Å; L141-Q143 PolarHBondContact O-N 3.36Å; L141-A144 PolarHBondContact O-N 3.18Å; L141-F145 HydrophobicContact CD2-CD2 4.37Å; L141-F145 HydrophobicContact CD2-CE2 3.94Å; L141-F145 WeakPolarHBondContact O-CB 3.4Å; L141-F145 VanDerWaalsContact O-CD2 3.27Å; L141-F145 WeakPolarHBondContact O-CD2 3.29Å; L141-F145 PolarHBondContact O-N 3.47Å
142A95.9Very high95.2Very high0 Ų027 Ų270%016%0.158CC..Hα-helixtrans-60.1-44.1176.700000111.4I88 V138 Y139 T140 F145 G146 V147 L151I88-A142 HydrophobicContact CD1-CB 4.09Å; V138-A142 VanDerWaalsContact O-CB 3.29Å; V138-A142 WeakPolarHBondContact O-CB 3.33Å; V138-A142 PolarHBondContact O-N 2.95Å; Y139-A142 WeakPolarHBondContact O-CB 3.47Å; Y139-A142 PolarHBondContact O-N 3.24Å; T140-A142 VanDerWaalsContact C-N 3.34Å; A142-F145 PolarHBondContact O-N 2.97Å; A142-G146 CarbonylContact O-C 3.52Å; A142-G146 WeakPolarHBondContact O-CA 3.22Å; A142-G146 PolarHBondContact O-N 3.21Å; A142-V147 HydrophobicContact CB-CB 4.07Å; A142-V147 PolarHBondContact O-N 2.76Å; A142-L151 HydrophobicContact CB-CD1 3.54Å; A142-L151 HydrophobicContact CB-CD2 3.76Å; A142-L151 HydrophobicContact CB-CG 4.33Å
143Q95.6Very high95.2Very high81 Ų8127.6 Ų27.638%0.37916%0.164SC..Hα-helixtrans-62.6-45.7174.4-65-60.7-61.100112.1V12 Y139 T140 L141 F145 G146 V384V12-Q143 HydrophobicContact CG1-CB 3.8Å; Y139-Q143 HydrophobicContact CD1-CG 4.24Å; Y139-Q143 HydrophobicContact CE1-CG 3.97Å; Y139-Q143 WeakPolarHBondContact O-CG 3.36Å; Y139-Q143 PolarHBondContact O-N 3.11Å; T140-Q143 PolarHBondContact O-N 2.97Å; L141-Q143 VanDerWaalsContact C-N 3.33Å; L141-Q143 PolarHBondContact O-N 3.36Å; Q143-F145 VanDerWaalsContact C-N 3.31Å; Q143-F145 PolarHBondContact O-N 3.46Å; Q143-G146 PolarHBondContact O-N 3.18Å; Q143-V384 HydrophobicContact CG-CG2 3.96Å
144A93.3Very high95.2Very high9 Ų927 Ų277%0.07416%0.156CC..Hα-helixtrans-66-30.2-179.200000113.6V12 V56 I58 T140 L141V12-A144 HydrophobicContact CB-CB 4.24Å; V12-A144 HydrophobicContact CG2-CB 4.02Å; V56-A144 HydrophobicContact CB-CB 4.4Å; V56-A144 HydrophobicContact CG1-CB 4.08Å; I58-A144 HydrophobicContact CD1-CB 3.62Å; I58-A144 HydrophobicContact CG1-CB 4.37Å; T140-A144 WeakPolarHBondContact O-CB 3.38Å; T140-A144 PolarHBondContact O-N 3.46Å; L141-A144 PolarHBondContact O-N 3.18Å
145F90.6Very high95.3Very high24 Ų2425.7 Ų25.711%0.10515%0.15CC..Hα-helixtrans-991.1177.9-75.1-73.4000114.2I58 I88 A92 V113 L141 A142 Q143 V147I58-F145 HydrophobicContact CD1-CD1 4.1Å; I58-F145 HydrophobicContact CD1-CD2 4.08Å; I58-F145 HydrophobicContact CD1-CE1 3.81Å; I58-F145 HydrophobicContact CD1-CE2 3.77Å; I58-F145 HydrophobicContact CD1-CG 4.23Å; I58-F145 HydrophobicContact CD1-CZ 3.63Å; I58-F145 HydrophobicContact CG1-CZ 4.45Å; I88-F145 HydrophobicContact CG2-CB 4.18Å; I88-F145 HydrophobicContact CG2-CD2 3.61Å; I88-F145 HydrophobicContact CG2-CE2 4.35Å; I88-F145 HydrophobicContact CG2-CG 4.14Å; A92-F145 HydrophobicContact CB-CB 3.93Å; A92-F145 HydrophobicContact CB-CD1 4.46Å; A92-F145 HydrophobicContact CB-CG 4.45Å; V113-F145 HydrophobicContact CG1-CE2 4Å; V113-F145 HydrophobicContact CG1-CZ 3.75Å; L141-F145 HydrophobicContact CD2-CD2 4.37Å; L141-F145 HydrophobicContact CD2-CE2 3.94Å; L141-F145 WeakPolarHBondContact O-CB 3.4Å; L141-F145 VanDerWaalsContact O-CD2 3.27Å; L141-F145 WeakPolarHBondContact O-CD2 3.29Å; L141-F145 PolarHBondContact O-N 3.47Å; A142-F145 PolarHBondContact O-N 2.97Å; Q143-F145 VanDerWaalsContact C-N 3.31Å; Q143-F145 PolarHBondContact O-N 3.46Å; F145-V147 VanDerWaalsContact C-N 3.32Å; F145-V147 HydrophobicContact CB-CG2 4.08Å; F145-V147 PolarHBondContact O-N 3.06Å
146G90.3Very high95.2Very high31 Ų3126 Ų2632%0.3215%0.151SC..THydrogen-bonded Turntrans61.437.1-175.500000113.5R95 A142 Q143R95-G146 WeakPolarHBondContact CD-O 3.33Å; R95-G146 PolarHBondContact NH1-O 3.23Å; A142-G146 CarbonylContact O-C 3.52Å; A142-G146 WeakPolarHBondContact O-CA 3.22Å; A142-G146 PolarHBondContact O-N 3.21Å; Q143-G146 PolarHBondContact O-N 3.18Å
147V91.3Very high95.1Very high10 Ų1027.8 Ų27.86%0.06116%0.16CC..  trans-87.9125.5174.3-179.80000109.5I88 L91 A92 A142 F145 L151I88-V147 HydrophobicContact CG2-CG2 4.24Å; L91-V147 HydrophobicContact CB-CG1 3.8Å; L91-V147 HydrophobicContact CB-CG2 4.28Å; L91-V147 HydrophobicContact CD1-CG1 3.89Å; A92-V147 HydrophobicContact CB-CG2 3.68Å; A142-V147 HydrophobicContact CB-CB 4.07Å; A142-V147 PolarHBondContact O-N 2.76Å; F145-V147 VanDerWaalsContact C-N 3.32Å; F145-V147 HydrophobicContact CB-CG2 4.08Å; F145-V147 PolarHBondContact O-N 3.06Å; V147-L151 HydrophobicContact CG1-CD2 4.05Å
148E88.8Confident95Very high148 Ų14827.3 Ų27.369%0.69216%0.157SC*.  trans-113.1163.1176.4-67.3169.5-144.900110.6R95R95-E148 IonicContact CZ-OE1 3.85Å; R95-E148 IonicContact NH1-OE1 2.82Å; R95-E148 PolarHBondContact NH1-OE1 3.1Å; R95-E148 IonicContact NH2-OE1 3.2Å
149G89.4Confident94.8Very high66 Ų6627.7 Ų27.768%0.6816%0.16SC*.SBendtrans106.2-149.9174.100000114.6L151G149-L151 PolarHBondContact O-N 3.16Å
150E92.9Very high94.7Very high80 Ų8025.6 Ų25.637%0.37415%0.153SC..  trans-75.3110.6-177.3-156.5-53.7104.700110S152 G153 V185E150-S152 VanDerWaalsContact CD-OG 3.3Å; E150-S152 WeakPolarHBondContact OE1-CA 3.46Å; E150-S152 WeakPolarHBondContact OE1-CB 3.22Å; E150-S152 PolarHBondContact OE1-N 2.76Å; E150-S152 PolarHBondContact OE1-OG 3.46Å; E150-S152 PolarHBondContact OE2-N 3.22Å; E150-G153 PolarHBondContact OE2-N 2.89Å; E150-V185 HydrophobicContact CG-CG1 4.14Å; E150-V185 WeakPolarHBondContact OE2-CG1 3.33Å
151L96.9Very high94.6Very high14 Ų1426.5 Ų26.57%0.07316%0.159CC..  trans-107.7-12.5-177.1-66.7178.9000113.2I88 V138 Y139 A142 V147 G149 G153 I154 A155 M166I88-L151 HydrophobicContact CD1-CD2 4.31Å; V138-L151 HydrophobicContact CG1-CB 4.21Å; Y139-L151 HydrophobicContact CD2-CD1 4.32Å; A142-L151 HydrophobicContact CB-CD1 3.54Å; A142-L151 HydrophobicContact CB-CD2 3.76Å; A142-L151 HydrophobicContact CB-CG 4.33Å; V147-L151 HydrophobicContact CG1-CD2 4.05Å; G149-L151 PolarHBondContact O-N 3.16Å; L151-G153 PolarHBondContact O-N 3.44Å; L151-I154 HydrophobicContact CD2-CD1 3.97Å; L151-I154 WeakPolarHBondContact O-CB 3.36Å; L151-I154 PolarHBondContact O-N 3.06Å; L151-A155 PolarHBondContact O-N 2.75Å; L151-A155 VanDerWaalsContact O-N 3.08Å; L151-M166 HydrophobicContact CB-CE 3.61Å; L151-M166 HydrophobicContact CD1-CE 4.05Å
152S97.1Very high94.7Very high0 Ų026.5 Ų26.50%016%0.159CC..Hα-helixtrans-70.1-32.1-174.881.90000112.2E150 I154 A155 R156 C163 A186E150-S152 VanDerWaalsContact CD-OG 3.3Å; E150-S152 WeakPolarHBondContact OE1-CA 3.46Å; E150-S152 WeakPolarHBondContact OE1-CB 3.22Å; E150-S152 PolarHBondContact OE1-N 2.76Å; E150-S152 PolarHBondContact OE1-OG 3.46Å; E150-S152 PolarHBondContact OE2-N 3.22Å; S152-I154 VanDerWaalsContact C-N 3.26Å; S152-I154 PolarHBondContact O-N 3.07Å; S152-A155 PolarHBondContact O-N 3.3Å; S152-R156 WeakPolarHBondContact O-CB 3.47Å; S152-R156 PolarHBondContact O-N 2.55Å; S152-C163 WeakPolarHBondContact O-CB 3.28Å; S152-A186 PolarHBondContact OG-N 3.28Å
153G96.6Very high94.8Very high12 Ų1226.5 Ų26.512%0.12416%0.159CC..Hα-helixtrans-61.4-33.2171.300000113E150 L151 R156E150-G153 PolarHBondContact OE2-N 2.89Å; L151-G153 PolarHBondContact O-N 3.44Å; G153-R156 WeakPolarHBondContact O-CB 3.42Å
154I97.1Very high95Very high6 Ų623 Ų233%0.03114%0.143CC..Hα-helixtrans-73.5-49.3175.2-47.3179.1000110.1C84 E87 I88 L91 V138 L151 S152 R156 Q157C84-I154 HydrophobicContact CB-CG2 4.34Å; E87-I154 HydrophobicContact CB-CG2 4.1Å; E87-I154 HydrophobicContact CG-CD1 4.02Å; E87-I154 HydrophobicContact CG-CG1 3.76Å; E87-I154 HydrophobicContact CG-CG2 4.24Å; I88-I154 HydrophobicContact CD1-CD1 3.63Å; I88-I154 HydrophobicContact CD1-CG2 4.46Å; I88-I154 HydrophobicContact CG1-CD1 4.32Å; I88-I154 HydrophobicContact CG1-CG2 4.27Å; L91-I154 HydrophobicContact CD1-CD1 3.56Å; V138-I154 HydrophobicContact CG1-CB 3.88Å; V138-I154 HydrophobicContact CG1-CG2 3.99Å; V138-I154 HydrophobicContact CG2-CB 4.41Å; V138-I154 HydrophobicContact CG2-CG2 3.87Å; L151-I154 HydrophobicContact CD2-CD1 3.97Å; L151-I154 WeakPolarHBondContact O-CB 3.36Å; L151-I154 PolarHBondContact O-N 3.06Å; S152-I154 VanDerWaalsContact C-N 3.26Å; S152-I154 PolarHBondContact O-N 3.07Å; I154-R156 PolarHBondContact O-N 3.22Å; I154-Q157 PolarHBondContact O-N 3.38Å; I154-Q157 VanDerWaalsContact O-N 3.09Å
155A97.9Very high95.2Very high0 Ų022.6 Ų22.60%014%0.139CC..Hα-helixtrans-57.2-37.417800000111.9V138 L151 S152 Q157 G158 S159 A162 M166V138-A155 HydrophobicContact CB-CB 4.32Å; V138-A155 HydrophobicContact CG1-CB 4.4Å; V138-A155 HydrophobicContact CG2-CB 4.3Å; L151-A155 PolarHBondContact O-N 2.75Å; L151-A155 VanDerWaalsContact O-N 3.08Å; S152-A155 PolarHBondContact O-N 3.3Å; A155-Q157 VanDerWaalsContact C-N 3.33Å; A155-Q157 PolarHBondContact O-N 3.22Å; A155-G158 PolarHBondContact O-N 3.05Å; A155-G158 VanDerWaalsContact O-N 3.1Å; A155-S159 PolarHBondContact O-N 2.69Å; A155-A162 HydrophobicContact CB-CB 4.07Å; A155-M166 HydrophobicContact CB-CG 4.07Å; A155-M166 HydrophobicContact CB-SD 3.98Å
156R98Very high95.6Very high6 Ų622.2 Ų22.22%0.02314%0.138CC..Hα-helixtrans-54.2-44.3174.9-172.7-163.675.8-1474.6112.7L33 I34 L35 S152 G153 I154 G158 S159 G160 C163 W173 G181 S184L33-R156 VanDerWaalsContact O-CZ 3.29Å; L33-R156 PolarHBondContact O-NE 2.9Å; L33-R156 PolarHBondContact O-NH2 3.08Å; I34-R156 HydrophobicContact CB-CG 4.47Å; I34-R156 WeakPolarHBondContact CD1-O 3.46Å; I34-R156 VanDerWaalsContact O-CD 3.27Å; I34-R156 WeakPolarHBondContact O-CD 3.46Å; I34-R156 WeakPolarHBondContact O-CG 3.28Å; I34-R156 PolarHBondContact O-NE 3.05Å; L35-R156 VanDerWaalsContact CD2-CZ 3.46Å; S152-R156 WeakPolarHBondContact O-CB 3.47Å; S152-R156 PolarHBondContact O-N 2.55Å; G153-R156 WeakPolarHBondContact O-CB 3.42Å; I154-R156 PolarHBondContact O-N 3.22Å; R156-G158 PolarHBondContact O-N 3.13Å; R156-S159 CarbonylContact O-C 3.57Å; R156-S159 PolarHBondContact O-N 3.21Å; R156-G160 WeakPolarHBondContact O-CA 3.39Å; R156-G160 PolarHBondContact O-N 3.11Å; R156-C163 HydrophobicContact CB-CB 4.11Å; R156-W173 HydrophobicContact CG-CH2 4.26Å; R156-W173 HydrophobicContact CG-CZ2 3.51Å; R156-G181 PolarHBondContact NH1-O 3.14Å; R156-S184 PolarHBondContact NH1-O 3Å
157Q96.1Very high96Very high38 Ų3824.2 Ų24.218%0.17814%0.137CC..Hα-helixtrans-67.7-23.3-179.8-65-176.7900113I34 I154 A155I34-Q157 WeakPolarHBondContact CD1-O 3.38Å; I154-Q157 PolarHBondContact O-N 3.38Å; I154-Q157 VanDerWaalsContact O-N 3.09Å; A155-Q157 VanDerWaalsContact C-N 3.33Å; A155-Q157 PolarHBondContact O-N 3.22Å
158G95.1Very high96.4Very high0 Ų023.9 Ų23.90%014%0.135CC..Hα-helixtrans-77.2-50.9170.200000112.2R80 C84 F134 A155 R156R80-G158 VanDerWaalsContact CD-O 3.23Å; R80-G158 WeakPolarHBondContact CD-O 3.4Å; C84-G158 VanDerWaalsContact SG-CA 3.53Å; F134-G158 VanDerWaalsContact CE1-CA 3.41Å; F134-G158 WeakPolarHBondContact CE2-O 3.2Å; A155-G158 PolarHBondContact O-N 3.05Å; A155-G158 VanDerWaalsContact O-N 3.1Å; R156-G158 PolarHBondContact O-N 3.13Å
159S95.1Very high96.8Very high8 Ų816.9 Ų16.96%0.05610%0.102CC..  trans-155.6124.8174.6172.50000108.2S130 A155 R156 S161 A162S130-S159 PolarHBondContact OG-OG 2.97Å; A155-S159 PolarHBondContact O-N 2.69Å; R156-S159 CarbonylContact O-C 3.57Å; R156-S159 PolarHBondContact O-N 3.21Å; S159-S161 VanDerWaalsContact C-N 3.3Å; S159-S161 PolarHBondContact O-N 3.5Å; S159-S161 VanDerWaalsContact O-N 3.11Å; S159-A162 WeakPolarHBondContact O-CA 3.19Å; S159-A162 WeakPolarHBondContact O-CB 3.43Å; S159-A162 PolarHBondContact O-N 2.91Å
160G96.1Very high97.3Very high4 Ų413.7 Ų13.74%0.0417%0.07CC..G310 helixtrans-49.8-46.8-17200000114R156 A162 C163R156-G160 WeakPolarHBondContact O-CA 3.39Å; R156-G160 PolarHBondContact O-N 3.11Å; G160-A162 VanDerWaalsContact C-N 3.27Å; G160-A162 PolarHBondContact O-N 2.92Å; G160-C163 PolarHBondContact O-SG 3.18Å
161S96.8Very high97.6Very high20 Ų209.9 Ų9.914%0.145%0.052CC..G310 helixtrans-71.9-10.2177.8520000115.8N19 A131 S159 C163 R164N19-S161 PolarHBondContact ND2-O 2.86Å; A131-S161 WeakPolarHBondContact CB-OG 3.4Å; S159-S161 VanDerWaalsContact C-N 3.3Å; S159-S161 PolarHBondContact O-N 3.5Å; S159-S161 VanDerWaalsContact O-N 3.11Å; S161-C163 VanDerWaalsContact C-N 3.29Å; S161-C163 PolarHBondContact O-N 3.47Å; S161-R164 PolarHBondContact O-N 3.19Å
162A98.3Very high97.7Very high0 Ų010.8 Ų10.80%06%0.056CC..G310 helixtrans-66.7-31.4176.900000111.9A131 F134 A135 A155 S159 G160 R164 S165A131-A162 WeakPolarHBondContact O-CA 3.13Å; A131-A162 WeakPolarHBondContact O-CB 3.21Å; F134-A162 HydrophobicContact CB-CB 3.75Å; A135-A162 HydrophobicContact CB-CB 4.37Å; A155-A162 HydrophobicContact CB-CB 4.07Å; S159-A162 WeakPolarHBondContact O-CA 3.19Å; S159-A162 WeakPolarHBondContact O-CB 3.43Å; S159-A162 PolarHBondContact O-N 2.91Å; G160-A162 VanDerWaalsContact C-N 3.27Å; G160-A162 PolarHBondContact O-N 2.92Å; A162-R164 PolarHBondContact O-N 3.14Å; A162-R164 VanDerWaalsContact O-N 3.15Å; A162-S165 WeakPolarHBondContact O-CB 3.39Å; A162-S165 PolarHBondContact O-N 2.83Å
163C98.5Very high97.8Very high0 Ų010.8 Ų10.80%06%0.056CC..G310 helixtrans-54.2-36.6177.269.60000112S152 R156 G160 S161 S165 M166 A186S152-C163 WeakPolarHBondContact O-CB 3.28Å; R156-C163 HydrophobicContact CB-CB 4.11Å; G160-C163 PolarHBondContact O-SG 3.18Å; S161-C163 VanDerWaalsContact C-N 3.29Å; S161-C163 PolarHBondContact O-N 3.47Å; C163-S165 PolarHBondContact O-N 3.33Å; C163-M166 VanDerWaalsContact O-CB 3.28Å; C163-M166 WeakPolarHBondContact O-CB 3.39Å; C163-M166 VanDerWaalsContact O-CG 3.31Å; C163-M166 WeakPolarHBondContact O-CG 3.19Å; C163-M166 PolarHBondContact O-N 3.36Å; C163-A186 VanDerWaalsContact C-CB 3.47Å; C163-A186 HydrophobicContact CB-CB 4.01Å; C163-A186 WeakPolarHBondContact O-CB 3.43Å
164R98.7Very high97.9Very high7 Ų712.8 Ų12.83%0.0266%0.063CC..G310 helixtrans-74.4-24.1179.5-59.9-168.7-54.1-92.7-4.4113.7N19 S40 S42 S161 A162 M166 V171 W173 A186N19-R164 PolarHBondContact OD1-NE 2.92Å; N19-R164 PolarHBondContact OD1-NH2 2.75Å; S40-R164 PolarHBondContact OG-NH1 3.33Å; S42-R164 WeakPolarHBondContact OG-CB 3.28Å; S42-R164 WeakPolarHBondContact OG-CD 3.48Å; S42-R164 PolarHBondContact OG-NE 3.28Å; S161-R164 PolarHBondContact O-N 3.19Å; A162-R164 PolarHBondContact O-N 3.14Å; A162-R164 VanDerWaalsContact O-N 3.15Å; R164-M166 PolarHBondContact O-N 2.93Å; R164-V171 HydrophobicContact CB-CB 4.2Å; R164-V171 HydrophobicContact CB-CG1 3.98Å; R164-V171 HydrophobicContact CG-CG1 4.25Å; R164-W173 HydrophobicContact CG-CB 3.74Å; R164-A186 HydrophobicContact CG-CB 4.49Å
165S98.6Very high97.9Very high0 Ų015.5 Ų15.50%08%0.076CC..G310 helixtrans-75.9-1.5173.4-82.10000113.1P17 N19 A162 C163 Y167 P382P17-S165 VanDerWaalsContact O-CB 3.31Å; P17-S165 WeakPolarHBondContact O-CB 3.25Å; P17-S165 PolarHBondContact O-OG 2.73Å; N19-S165 PolarHBondContact ND2-OG 2.78Å; A162-S165 WeakPolarHBondContact O-CB 3.39Å; A162-S165 PolarHBondContact O-N 2.83Å; C163-S165 PolarHBondContact O-N 3.33Å; S165-Y167 VanDerWaalsContact C-N 3.26Å; S165-P382 VanDerWaalsContact O-CD 3.26Å; S165-P382 WeakPolarHBondContact O-CD 3.33Å; S165-P382 WeakPolarHBondContact O-CG 3.48Å
166M98.4Very high97.9Very high17 Ų1715.9 Ų15.98%0.0848%0.081CC..G310 helixtrans-77-11.9174.3-59.9-57.7-61.200113.2A135 Y139 L151 A155 C163 R164 P382A135-M166 HydrophobicContact CB-SD 3.81Å; Y139-M166 HydrophobicContact CD2-CE 3.98Å; L151-M166 HydrophobicContact CB-CE 3.61Å; L151-M166 HydrophobicContact CD1-CE 4.05Å; A155-M166 HydrophobicContact CB-CG 4.07Å; A155-M166 HydrophobicContact CB-SD 3.98Å; C163-M166 VanDerWaalsContact O-CB 3.28Å; C163-M166 WeakPolarHBondContact O-CB 3.39Å; C163-M166 VanDerWaalsContact O-CG 3.31Å; C163-M166 WeakPolarHBondContact O-CG 3.19Å; C163-M166 PolarHBondContact O-N 3.36Å; R164-M166 PolarHBondContact O-N 2.93Å; M166-P382 VanDerWaalsContact C-CD 3.49Å; M166-P382 VanDerWaalsContact O-CD 3.25Å; M166-P382 WeakPolarHBondContact O-CD 3.13Å; M166-P382 HydrophobicContact SD-CG 4.47Å
167Y98.7Very high97.9Very high73 Ų7320.6 Ų20.629%0.28611%0.114SC..SBendtrans-131.4155.4-177.2-57.6-80000111.7T44 S165 V171 A186T44-Y167 WeakPolarHBondContact CG2-O 3.33Å; T44-Y167 PolarHBondContact OG1-O 3.32Å; S165-Y167 VanDerWaalsContact C-N 3.26Å; Y167-V171 HydrophobicContact CD2-CG1 4.08Å; Y167-A186 HydrophobicContact CD2-CB 4Å; Y167-A186 HydrophobicContact CE2-CB 3.91Å; Y167-A186 WeakPolarHBondContact CE2-O 3.35Å
168G98.6Very high98Very high3 Ų324.2 Ų24.23%0.03113%0.129CC..SBendtrans-84.6167.617500000113.3Q188 G379 G381G168-Q188 PolarHBondContact O-NE2 3.05Å; G168-G379 CarbonylContact C-O 3.51Å; G168-G379 WeakPolarHBondContact CA-O 3.09Å; G168-G381 VanDerWaalsContact CA-N 3.3Å
169G98.7Very high98Very high0 Ų032.7 Ų32.70%017%0.169CC..SBendtrans71.8-127.4173.100000114.1V43 T44 E190 E192 G379V43-G169 WeakPolarHBondContact CA-O 3.33Å; T44-G169 PolarHBondContact N-O 2.9Å; G169-E190 WeakPolarHBondContact CA-O 3.48Å; G169-E192 VanDerWaalsContact CA-N 3.35Å; G169-G379 PolarHBondContact N-O 3.13Å
170F98.9Very high98Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-102.4126.9178-61.3-96.6000109L41 S42 V43 V189 E190 W195 L198 V247 F255L41-F170 HydrophobicContact CD2-CD1 4.48Å; S42-F170 WeakPolarHBondContact O-CA 3.48Å; V43-F170 HydrophobicContact CG1-CE1 4.39Å; V43-F170 HydrophobicContact CG2-CD1 3.73Å; V43-F170 HydrophobicContact CG2-CE1 3.58Å; F170-V189 HydrophobicContact CB-CB 4.2Å; F170-V189 WeakPolarHBondContact O-CB 3.4Å; F170-V189 PolarHBondContact O-N 3.23Å; F170-E190 HydrophobicContact CB-CB 4.48Å; F170-E190 HydrophobicContact CD2-CB 4.06Å; F170-E190 PolarHBondContact N-O 3.34Å; F170-E190 PolarHBondContact O-N 3.19Å; F170-W195 HydrophobicContact CE1-CE3 4.31Å; F170-W195 HydrophobicContact CE2-CB 3.98Å; F170-W195 HydrophobicContact CE2-CE3 4.32Å; F170-W195 HydrophobicContact CZ-CB 4.16Å; F170-W195 HydrophobicContact CZ-CD2 4.41Å; F170-W195 AromaticContact CZ-CE3 3.63Å; F170-W195 HydrophobicContact CZ-CE3 3.63Å; F170-W195 HydrophobicContact CZ-CZ3 4.44Å; F170-L198 HydrophobicContact CE1-CD2 3.99Å; F170-L198 HydrophobicContact CZ-CD2 3.61Å; F170-V247 HydrophobicContact CB-CG1 3.92Å; F170-V247 HydrophobicContact CD1-CB 4.31Å; F170-V247 HydrophobicContact CD1-CG1 3.67Å; F170-V247 HydrophobicContact CD1-CG2 3.56Å; F170-V247 HydrophobicContact CD2-CG1 3.61Å; F170-V247 HydrophobicContact CE1-CG1 4.03Å; F170-V247 HydrophobicContact CE1-CG2 3.75Å; F170-V247 HydrophobicContact CE2-CG1 3.98Å; F170-V247 HydrophobicContact CG-CG1 3.45Å; F170-V247 VanDerWaalsContact CG-CG1 3.45Å; F170-V247 HydrophobicContact CG-CG2 4.2Å; F170-V247 HydrophobicContact CZ-CG1 4.17Å; F170-F255 HydrophobicContact CE1-CE2 4.15Å
171V98.9Very high98.1Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-132126.8-170-169.70000109.4L41 S42 R164 Y167 A186 Q187L41-V171 WeakPolarHBondContact CA-O 3.33Å; S42-V171 PolarHBondContact N-O 2.79Å; S42-V171 PolarHBondContact O-N 3.36Å; S42-V171 PolarHBondContact OG-O 3.32Å; R164-V171 HydrophobicContact CB-CB 4.2Å; R164-V171 HydrophobicContact CB-CG1 3.98Å; R164-V171 HydrophobicContact CG-CG1 4.25Å; Y167-V171 HydrophobicContact CD2-CG1 4.08Å; V171-A186 HydrophobicContact CG1-CB 4.03Å; V171-Q187 WeakPolarHBondContact CA-O 3.34Å; V171-Q187 WeakPolarHBondContact CG1-O 3.39Å
172Q98.9Very high98Very high32 Ų3240.8 Ų40.815%0.1521%0.21CC..EExtended strand (participates in β ladder)trans-95143.6170.164175.6-12.400110.4S40 I174 A186 Q187 V189 M240S40-Q172 CarbonylContact O-C 3.57Å; S40-Q172 VanDerWaalsContact O-CA 3.25Å; S40-Q172 WeakPolarHBondContact O-CA 3.1Å; Q172-I174 HydrophobicContact CG-CG1 4.24Å; Q172-A186 CarbonylContact O-C 3.14Å; Q172-A186 WeakPolarHBondContact O-CA 3.4Å; Q172-Q187 HydrophobicContact CG-CB 4Å; Q172-Q187 WeakPolarHBondContact CG-O 3.3Å; Q172-Q187 PolarHBondContact N-O 2.75Å; Q172-Q187 PolarHBondContact O-N 3.33Å; Q172-V189 HydrophobicContact CB-CG2 3.81Å; Q172-V189 HydrophobicContact CG-CG2 3.76Å; Q172-M240 HydrophobicContact CB-CE 3.87Å
173W98.8Very high97.9Very high0 Ų042.8 Ų42.80%022%0.22CC..EExtended strand (participates in β ladder)trans-102.7114.1160.4173.720.3000108Y25 I34 P36 S39 S40 R156 R164 S184Y25-W173 AromaticContact CD1-CZ3 3.65Å; Y25-W173 HydrophobicContact CD1-CZ3 3.65Å; Y25-W173 HydrophobicContact CD2-CE3 4.36Å; Y25-W173 HydrophobicContact CD2-CH2 4.13Å; Y25-W173 AromaticContact CD2-CZ3 3.56Å; Y25-W173 HydrophobicContact CD2-CZ3 3.56Å; Y25-W173 HydrophobicContact CE1-CH2 4.2Å; Y25-W173 AromaticContact CE1-CZ3 3.75Å; Y25-W173 HydrophobicContact CE1-CZ3 3.75Å; Y25-W173 AromaticContact CE2-CH2 3.82Å; Y25-W173 HydrophobicContact CE2-CH2 3.82Å; Y25-W173 AromaticContact CE2-CZ3 3.69Å; Y25-W173 HydrophobicContact CE2-CZ3 3.69Å; Y25-W173 HydrophobicContact CG-CE3 4.17Å; Y25-W173 HydrophobicContact CG-CH2 4.45Å; Y25-W173 AromaticContact CG-CZ3 3.52Å; Y25-W173 HydrophobicContact CG-CZ3 3.52Å; Y25-W173 AromaticContact CZ-CH2 3.83Å; Y25-W173 AromaticContact CZ-CZ3 3.76Å; I34-W173 WeakPolarHBondContact O-CZ2 3.21Å; P36-W173 HydrophobicContact CB-CH2 3.79Å; P36-W173 HydrophobicContact CB-CZ2 4.02Å; P36-W173 HydrophobicContact CB-CZ3 4.09Å; P36-W173 HydrophobicContact CG-CD2 4.16Å; P36-W173 HydrophobicContact CG-CE3 4.42Å; P36-W173 HydrophobicContact CG-CH2 3.86Å; P36-W173 HydrophobicContact CG-CZ2 3.55Å; P36-W173 HydrophobicContact CG-CZ3 4.29Å; S39-W173 VanDerWaalsContact CA-O 3.22Å; S39-W173 WeakPolarHBondContact CA-O 3.38Å; S39-W173 VanDerWaalsContact CB-O 3.24Å; S39-W173 WeakPolarHBondContact CB-O 3.43Å; S40-W173 PolarHBondContact N-O 3.47Å; S40-W173 PolarHBondContact O-N 2.98Å; R156-W173 HydrophobicContact CG-CH2 4.26Å; R156-W173 HydrophobicContact CG-CZ2 3.51Å; R164-W173 HydrophobicContact CG-CB 3.74Å; W173-S184 PolarHBondContact NE1-OG 2.96Å
174I98.8Very high97.9Very high54 Ų5442.8 Ų42.828%0.27722%0.22SC..  trans-77126.5177.2-58.6170.1000107.7Q172 G176 S184 V185 Q187Q172-I174 HydrophobicContact CG-CG1 4.24Å; I174-G176 PolarHBondContact O-N 2.89Å; I174-S184 VanDerWaalsContact O-CA 3.28Å; I174-S184 WeakPolarHBondContact O-CA 3.28Å; I174-S184 PolarHBondContact O-OG 2.83Å; I174-V185 PolarHBondContact N-O 2.83Å; I174-Q187 HydrophobicContact CD1-CB 4.32Å
175M98.4Very high97.9Very high63 Ų6343.9 Ų43.931%0.3123%0.228SC..  trans-63.3-27-178.465.1179.3-6900113.3R29 P36 I37 S39 S184R29-M175 VanDerWaalsContact CZ-O 3.29Å; R29-M175 PolarHBondContact NH1-O 2.58Å; R29-M175 PolarHBondContact NH2-O 2.97Å; P36-M175 HydrophobicContact CG-CB 3.77Å; I37-M175 WeakPolarHBondContact O-CE 3.47Å; S39-M175 PolarHBondContact OG-N 3.32Å; M175-S184 VanDerWaalsContact O-CB 3.22Å; M175-S184 WeakPolarHBondContact O-CB 3.49Å; M175-S184 PolarHBondContact O-OG 2.84Å; M175-S184 VanDerWaalsContact O-OG 3.05Å
176G98.1Very high97.9Very high9 Ų944.1 Ų44.19%0.09323%0.23CC..  trans69.7167-173.700000112.4R29 I174 D183R29-G176 PolarHBondContact NH2-O 3.24Å; I174-G176 PolarHBondContact O-N 2.89Å; G176-D183 VanDerWaalsContact CA-CG 3.46Å; G176-D183 VanDerWaalsContact CA-OD1 3.25Å; G176-D183 WeakPolarHBondContact CA-OD1 3.45Å
177S97.3Very high97.9Very high104 Ų10448 Ų4873%0.72725%0.248SC*.SBendtrans-127.1-19.1-177.261.10000112.4D183S177-D183 VanDerWaalsContact N-CG 3.27Å; S177-D183 PolarHBondContact N-OD1 2.81Å; S177-D183 VanDerWaalsContact N-OD1 3.1Å; S177-D183 PolarHBondContact N-OD2 2.76Å; S177-D183 PolarHBondContact OG-OD2 2.84Å
178K97.6Very high97.9Very high114 Ų11448.2 Ų48.250%0.49625%0.251SS..  trans-78.2141.7179.7-62.5179.9-178.6-177.80110.8D180 G181 D183K178-D180 VanDerWaalsContact C-N 3.28Å; K178-D180 WeakPolarHBondContact CB-OD1 3.37Å; K178-D180 PolarHBondContact O-N 3.43Å; K178-G181 PolarHBondContact O-N 3.08Å; K178-G181 VanDerWaalsContact O-N 3.16Å; K178-D183 WeakPolarHBondContact CB-OD1 3.12Å; K178-D183 HydrophobicContact CD-CB 4.26Å; K178-D183 HydrophobicContact CG-CB 4.42Å; K178-D183 PolarHBondContact N-OD1 2.82Å; K178-D183 PolarHBondContact N-OD2 2.8Å
179E96.1Very high97.9Very high178 Ų17848.8 Ų48.883%0.83225%0.254SS*.THydrogen-bonded Turntrans-66.3-31.6177.3-64.3-177.117100112.1L33 G181L33-E179 WeakPolarHBondContact CD1-O 3.41Å; E179-G181 PolarHBondContact O-N 2.99Å
180D95.9Very high97.9Very high82 Ų8250.8 Ų50.844%0.43926%0.263SS..THydrogen-bonded Turntrans-71.8-9.5175.668.86.8000113.6K178 N182K178-D180 VanDerWaalsContact C-N 3.28Å; K178-D180 WeakPolarHBondContact CB-OD1 3.37Å; K178-D180 PolarHBondContact O-N 3.43Å; D180-N182 PolarHBondContact O-N 3.33Å; D180-N182 WeakPolarHBondContact OD1-CB 3.5Å; D180-N182 PolarHBondContact OD1-N 3.27Å; D180-N182 PolarHBondContact OD2-ND2 3.35Å
181G96.3Very high97.9Very high1 Ų152.8 Ų52.81%0.0128%0.276CS..  trans717.818000000115.3R156 K178 E179 D183 S184R156-G181 PolarHBondContact NH1-O 3.14Å; K178-G181 PolarHBondContact O-N 3.08Å; K178-G181 VanDerWaalsContact O-N 3.16Å; E179-G181 PolarHBondContact O-N 2.99Å; G181-D183 PolarHBondContact O-N 3.12Å; G181-S184 PolarHBondContact O-N 2.94Å; G181-S184 VanDerWaalsContact O-N 3.08Å
182N94.7Very high97.9Very high120 Ų12055.7 Ų55.764%0.64229%0.29SS*.THydrogen-bonded Turntrans-68.9-16.6-175.3-77.2-35.4000113.5D180D180-N182 PolarHBondContact O-N 3.33Å; D180-N182 WeakPolarHBondContact OD1-CB 3.5Å; D180-N182 PolarHBondContact OD1-N 3.27Å; D180-N182 PolarHBondContact OD2-ND2 3.35Å
183D97.4Very high97.9Very high41 Ų4158.5 Ų58.522%0.21931%0.313CS..THydrogen-bonded Turntrans-101.24174.469.6-18000113.4G176 S177 K178 G181 V185G176-D183 VanDerWaalsContact CA-CG 3.46Å; G176-D183 VanDerWaalsContact CA-OD1 3.25Å; G176-D183 WeakPolarHBondContact CA-OD1 3.45Å; S177-D183 VanDerWaalsContact N-CG 3.27Å; S177-D183 PolarHBondContact N-OD1 2.81Å; S177-D183 VanDerWaalsContact N-OD1 3.1Å; S177-D183 PolarHBondContact N-OD2 2.76Å; S177-D183 PolarHBondContact OG-OD2 2.84Å; K178-D183 WeakPolarHBondContact CB-OD1 3.12Å; K178-D183 HydrophobicContact CD-CB 4.26Å; K178-D183 HydrophobicContact CG-CB 4.42Å; K178-D183 PolarHBondContact N-OD1 2.82Å; K178-D183 PolarHBondContact N-OD2 2.8Å; G181-D183 PolarHBondContact O-N 3.12Å; D183-V185 PolarHBondContact O-N 3.49Å
184S98.5Very high97.9Very high0 Ų060.2 Ų60.20%032%0.321CS..  trans-94.483.1173.4-171.80000111.1R156 W173 I174 M175 G181R156-S184 PolarHBondContact NH1-O 3Å; W173-S184 PolarHBondContact NE1-OG 2.96Å; I174-S184 VanDerWaalsContact O-CA 3.28Å; I174-S184 WeakPolarHBondContact O-CA 3.28Å; I174-S184 PolarHBondContact O-OG 2.83Å; M175-S184 VanDerWaalsContact O-CB 3.22Å; M175-S184 WeakPolarHBondContact O-CB 3.49Å; M175-S184 PolarHBondContact O-OG 2.84Å; M175-S184 VanDerWaalsContact O-OG 3.05Å; G181-S184 PolarHBondContact O-N 2.94Å; G181-S184 VanDerWaalsContact O-N 3.08Å
185V98.4Very high97.9Very high31 Ų3158 Ų5819%0.18831%0.309CS..  trans-128.5162.7-173.2-63.50000111.4E150 I174 D183E150-V185 HydrophobicContact CG-CG1 4.14Å; E150-V185 WeakPolarHBondContact OE2-CG1 3.33Å; I174-V185 PolarHBondContact N-O 2.83Å; D183-V185 PolarHBondContact O-N 3.49Å
186A98.6Very high97.9Very high5 Ų558.1 Ų58.14%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-87147.8170.600000111.3S152 C163 R164 Y167 V171 Q172S152-A186 PolarHBondContact OG-N 3.28Å; C163-A186 VanDerWaalsContact C-CB 3.47Å; C163-A186 HydrophobicContact CB-CB 4.01Å; C163-A186 WeakPolarHBondContact O-CB 3.43Å; R164-A186 HydrophobicContact CG-CB 4.49Å; Y167-A186 HydrophobicContact CD2-CB 4Å; Y167-A186 HydrophobicContact CE2-CB 3.91Å; Y167-A186 WeakPolarHBondContact CE2-O 3.35Å; V171-A186 HydrophobicContact CG1-CB 4.03Å; Q172-A186 CarbonylContact O-C 3.14Å; Q172-A186 WeakPolarHBondContact O-CA 3.4Å
187Q98.6Very high97.9Very high99 Ų9961.6 Ų61.646%0.46333%0.329SS..EExtended strand (participates in β ladder)trans-138.9134.5176.3-173.6-174.27.100109.5V171 Q172 I174 V189V171-Q187 WeakPolarHBondContact CA-O 3.34Å; V171-Q187 WeakPolarHBondContact CG1-O 3.39Å; Q172-Q187 HydrophobicContact CG-CB 4Å; Q172-Q187 WeakPolarHBondContact CG-O 3.3Å; Q172-Q187 PolarHBondContact N-O 2.75Å; Q172-Q187 PolarHBondContact O-N 3.33Å; I174-Q187 HydrophobicContact CD1-CB 4.32Å; Q187-V189 PolarHBondContact O-N 2.78Å
188Q98.7Very high98Very high77 Ų7756.7 Ų56.736%0.3629%0.294SS..EExtended strand (participates in β ladder)trans-66.2123.5169.9-173.2172.869.300109.5G168G168-Q188 PolarHBondContact O-NE2 3.05Å
189V98.8Very high98Very high14 Ų1452.7 Ų52.79%0.08528%0.276CS..EExtended strand (participates in β ladder)trans-83-50.9174179.60000109.1L41 F170 Q172 Q187 I244L41-V189 HydrophobicContact CD1-CG2 4.13Å; F170-V189 HydrophobicContact CB-CB 4.2Å; F170-V189 WeakPolarHBondContact O-CB 3.4Å; F170-V189 PolarHBondContact O-N 3.23Å; Q172-V189 HydrophobicContact CB-CG2 3.81Å; Q172-V189 HydrophobicContact CG-CG2 3.76Å; Q187-V189 PolarHBondContact O-N 2.78Å; V189-I244 HydrophobicContact CG1-CB 4.39Å; V189-I244 HydrophobicContact CG1-CG1 4.11Å; V189-I244 HydrophobicContact CG1-CG2 3.83Å; V189-I244 HydrophobicContact CG2-CG1 4.36Å
190E98.8Very high98.1Very high43 Ų4344.2 Ų44.220%0.20124%0.236CC..EExtended strand (participates in β ladder)trans-146.7145.4175.8-69.4-56.8156.500109.8G169 F170 H194 V247 R248G169-E190 WeakPolarHBondContact CA-O 3.48Å; F170-E190 HydrophobicContact CB-CB 4.48Å; F170-E190 HydrophobicContact CD2-CB 4.06Å; F170-E190 PolarHBondContact N-O 3.34Å; F170-E190 PolarHBondContact O-N 3.19Å; E190-H194 HydrophobicContact CB-CB 3.81Å; E190-H194 HydrophobicContact CG-CB 4.49Å; E190-H194 IonicContact OE2-CG 2.99Å; E190-H194 IonicContact OE2-ND1 2.86Å; E190-V247 HydrophobicContact CB-CG1 4.18Å; E190-V247 HydrophobicContact CG-CG1 3.91Å; E190-R248 HydrophobicContact CG-CG 4.29Å; E190-R248 VanDerWaalsContact OE1-CG 3.31Å; E190-R248 WeakPolarHBondContact OE1-CG 3.41Å; E190-R248 IonicContact OE1-NE 3.06Å
191P98.8Very high98.3Very high42 Ų4240.4 Ų40.427%0.27322%0.216SC..  trans-70.8164.3179.631.1-36.5000112.3S193 H194P191-S193 PolarHBondContact O-N 3.31Å; P191-S193 VanDerWaalsContact O-N 3.15Å; P191-H194 HydrophobicContact CG-CB 4.33Å; P191-H194 WeakPolarHBondContact O-CB 3.17Å; P191-H194 PolarHBondContact O-N 3.41Å
192E98.4Very high98.3Very high61 Ų6140.3 Ų40.329%0.28522%0.215SC..THydrogen-bonded Turntrans-61-23.9178.562.3-87.5-155.900113.9G169 H194 A378 G379 P380G169-E192 VanDerWaalsContact CA-N 3.35Å; E192-H194 VanDerWaalsContact C-N 3.28Å; E192-A378 HydrophobicContact CB-CB 4.42Å; E192-G379 WeakPolarHBondContact CB-O 3.39Å; E192-P380 WeakPolarHBondContact OE1-CA 3.28Å; E192-P380 VanDerWaalsContact OE1-CB 3.31Å; E192-P380 WeakPolarHBondContact OE1-CB 3.35Å
193S98.5Very high98.3Very high90 Ų9034.6 Ų34.663%0.62919%0.185SC*.THydrogen-bonded Turntrans-77.1-12.6175.158.60000113.4P191P191-S193 PolarHBondContact O-N 3.31Å; P191-S193 VanDerWaalsContact O-N 3.15Å
194H98.8Very high98.2Very high37 Ų3732.7 Ų32.717%0.17117%0.174CC..SBendtrans-62.9-50.4-176.5179.161.1000111.1E190 P191 E192 P196 V247 R248 K250E190-H194 HydrophobicContact CB-CB 3.81Å; E190-H194 HydrophobicContact CG-CB 4.49Å; E190-H194 IonicContact OE2-CG 2.99Å; E190-H194 IonicContact OE2-ND1 2.86Å; P191-H194 HydrophobicContact CG-CB 4.33Å; P191-H194 WeakPolarHBondContact O-CB 3.17Å; P191-H194 PolarHBondContact O-N 3.41Å; E192-H194 VanDerWaalsContact C-N 3.28Å; H194-P196 VanDerWaalsContact C-CD 3.47Å; H194-P196 WeakPolarHBondContact O-CD 3.18Å; H194-V247 PolarHBondContact CD2-O 3.39Å; H194-V247 PolarHBondContact NE2-O 3.13Å; H194-R248 PolarHBondContact CE1-O 2.8Å; H194-R248 PolarHBondContact NE2-O 3.25Å; H194-K250 WeakPolarHBondContact O-CE 3.48Å; H194-K250 PolarHBondContact O-NZ 2.79Å
195W98.7Very high97.8Very high6 Ų633.3 Ų33.32%0.02318%0.178CC..  trans-12070.2-174.4-157.8-10.9000112.4F170 E197 L198 K250 F252 F255 L318F170-W195 HydrophobicContact CE1-CE3 4.31Å; F170-W195 HydrophobicContact CE2-CB 3.98Å; F170-W195 HydrophobicContact CE2-CE3 4.32Å; F170-W195 HydrophobicContact CZ-CB 4.16Å; F170-W195 HydrophobicContact CZ-CD2 4.41Å; F170-W195 AromaticContact CZ-CE3 3.63Å; F170-W195 HydrophobicContact CZ-CE3 3.63Å; F170-W195 HydrophobicContact CZ-CZ3 4.44Å; W195-E197 PolarHBondContact O-N 2.8Å; W195-L198 HydrophobicContact CB-CB 4.39Å; W195-L198 HydrophobicContact CD2-CB 4.28Å; W195-L198 HydrophobicContact CG-CB 4Å; W195-L198 WeakPolarHBondContact O-CB 3.34Å; W195-L198 PolarHBondContact O-N 2.75Å; W195-L198 VanDerWaalsContact O-N 3.13Å; W195-K250 HydrophobicContact CD2-CB 4.02Å; W195-K250 HydrophobicContact CD2-CG 4.04Å; W195-K250 HydrophobicContact CE3-CB 4.47Å; W195-K250 HydrophobicContact CG-CB 4.41Å; W195-K250 HydrophobicContact CG-CD 4.29Å; W195-K250 HydrophobicContact CG-CG 4.06Å; W195-K250 HydrophobicContact CH2-CB 4.41Å; W195-K250 VanDerWaalsContact CZ2-C 3.48Å; W195-K250 HydrophobicContact CZ2-CB 3.92Å; W195-K250 VanDerWaalsContact CZ2-O 3.29Å; W195-K250 WeakPolarHBondContact CZ2-O 3.44Å; W195-F252 HydrophobicContact CH2-CB 4.26Å; W195-F252 HydrophobicContact CH2-CD2 4.42Å; W195-F252 HydrophobicContact CZ2-CB 3.87Å; W195-F252 HydrophobicContact CZ2-CD2 4.14Å; W195-F255 HydrophobicContact CH2-CB 4.06Å; W195-F255 HydrophobicContact CH2-CG 4.23Å; W195-F255 HydrophobicContact CZ3-CB 4.32Å; W195-F255 HydrophobicContact CZ3-CD2 4.23Å; W195-F255 HydrophobicContact CZ3-CG 4.19Å; W195-L318 HydrophobicContact CZ2-CD2 4.24Å
196P98.4Very high96.8Very high66 Ų6633 Ų3343%0.42918%0.177SC..THydrogen-bonded Turntrans-68.4-19-170.628.5-35.4000113.8H194 R199H194-P196 VanDerWaalsContact C-CD 3.47Å; H194-P196 WeakPolarHBondContact O-CD 3.18Å; P196-R199 PolarHBondContact O-NH1 2.84Å
197E98.6Very high95.4Very high83 Ų8335.4 Ų35.439%0.38819%0.194SC..THydrogen-bonded Turntrans-78.3-20176.4-5777.6-168.100112.7W195 R199 L318 Q319W195-E197 PolarHBondContact O-N 2.8Å; E197-R199 PolarHBondContact O-N 3.45Å; E197-R199 PolarHBondContact O-NH1 3Å; E197-L318 HydrophobicContact CB-CD2 4.26Å; E197-L318 CarbonylContact O-C 3.37Å; E197-L318 WeakPolarHBondContact O-CA 3.4Å; E197-Q319 PolarHBondContact O-N 3.36Å
198L98.8Very high94.2Very high1 Ų138 Ų381%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-64.2132.6-178.9-172.768.3000110.4V43 F170 W195 I200 F252 F255 F316V43-L198 HydrophobicContact CG1-CD2 4.41Å; F170-L198 HydrophobicContact CE1-CD2 3.99Å; F170-L198 HydrophobicContact CZ-CD2 3.61Å; W195-L198 HydrophobicContact CB-CB 4.39Å; W195-L198 HydrophobicContact CD2-CB 4.28Å; W195-L198 HydrophobicContact CG-CB 4Å; W195-L198 WeakPolarHBondContact O-CB 3.34Å; W195-L198 PolarHBondContact O-N 2.75Å; W195-L198 VanDerWaalsContact O-N 3.13Å; L198-I200 HydrophobicContact CG-CD1 4.48Å; L198-F252 HydrophobicContact CD1-CD2 4.3Å; L198-F252 HydrophobicContact CD1-CE2 4.09Å; L198-F255 HydrophobicContact CD1-CE1 4.39Å; L198-F316 HydrophobicContact CD1-CB 4.45Å; L198-F316 HydrophobicContact CD2-CD1 4.48Å
199R98.8Very high92.8Very high30 Ų3045.4 Ų45.411%0.11323%0.231CC..EExtended strand (participates in β ladder)trans-124.8146176.6-67.6-67.4179.1-75.9-1.8109.8P196 E197 F316 T317 Q319 V322P196-R199 PolarHBondContact O-NH1 2.84Å; E197-R199 PolarHBondContact O-N 3.45Å; E197-R199 PolarHBondContact O-NH1 3Å; R199-F316 WeakPolarHBondContact O-CA 3.3Å; R199-T317 HydrophobicContact CB-CG2 4.2Å; R199-T317 PolarHBondContact N-O 3.1Å; R199-T317 PolarHBondContact O-N 2.96Å; R199-Q319 HydrophobicContact CG-CB 4.12Å; R199-V322 HydrophobicContact CB-CG2 3.64Å; R199-V322 HydrophobicContact CG-CG2 3.73Å
200I98.7Very high91.5Very high0 Ų047.8 Ų47.80%024%0.24CC..EExtended strand (participates in β ladder)trans-123.4125.1179.1-57.390.9000107.6V43 L45 L198 V314 I315 F316 T376 K377V43-I200 HydrophobicContact CG1-CD1 4.38Å; L45-I200 HydrophobicContact CD2-CB 4.08Å; L45-I200 HydrophobicContact CD2-CD1 4.07Å; L45-I200 HydrophobicContact CD2-CG1 3.91Å; L45-I200 HydrophobicContact CD2-CG2 3.97Å; L198-I200 HydrophobicContact CG-CD1 4.48Å; I200-V314 HydrophobicContact CG2-CG1 3.33Å; I200-I315 CarbonylContact C-O 3.53Å; I200-I315 VanDerWaalsContact CA-O 3.29Å; I200-I315 WeakPolarHBondContact CA-O 3.42Å; I200-F316 HydrophobicContact CG1-CD1 3.71Å; I200-F316 HydrophobicContact CG1-CE1 3.66Å; I200-F316 HydrophobicContact CG2-CE1 4.44Å; I200-T376 HydrophobicContact CB-CG2 3.94Å; I200-T376 HydrophobicContact CG2-CG2 4.4Å; I200-T376 PolarHBondContact N-O 3.38Å; I200-T376 PolarHBondContact O-N 2.94Å; I200-K377 VanDerWaalsContact CD1-C 3.49Å
201L98.4Very high90.3Very high1 Ų151.2 Ų51.21%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-113.5120.7173.6-49172.1000108.4I315 V322 F325 V326 I373 I374L201-I315 HydrophobicContact CB-CB 4.16Å; L201-I315 PolarHBondContact N-O 3.13Å; L201-I315 PolarHBondContact O-N 2.9Å; L201-V322 HydrophobicContact CD2-CG1 4.2Å; L201-F325 HydrophobicContact CD1-CD1 3.95Å; L201-F325 HydrophobicContact CD1-CE1 4.46Å; L201-V326 HydrophobicContact CD1-CG2 3.67Å; L201-V326 HydrophobicContact CD2-CG2 4.32Å; L201-I373 HydrophobicContact CB-CG2 4.13Å; L201-I373 HydrophobicContact CD2-CG2 4.43Å; L201-I374 CarbonylContact C-O 3.48Å; L201-I374 WeakPolarHBondContact CA-O 3.42Å
202V96.6Very high89.5Confident0 Ų052 Ų520%027%0.268CS..EExtended strand (participates in β ladder)trans-94.3110.7171.7-177.70000108.1L127 V204 V314 I373 I374L127-V202 HydrophobicContact CD1-CG1 4.39Å; L127-V202 HydrophobicContact CD2-CB 4.33Å; L127-V202 HydrophobicContact CD2-CG1 3.4Å; L127-V202 VanDerWaalsContact CD2-CG1 3.4Å; L127-V202 HydrophobicContact CD2-CG2 4.04Å; L127-V202 HydrophobicContact CG-CG1 4.37Å; V202-V204 HydrophobicContact CG1-CG2 3.98Å; V202-V204 PolarHBondContact O-N 2.89Å; V202-V314 HydrophobicContact CG2-CG2 4.49Å; V202-I373 CarbonylContact O-C 3.58Å; V202-I373 VanDerWaalsContact O-CA 3.29Å; V202-I373 WeakPolarHBondContact O-CA 3.38Å; V202-I374 HydrophobicContact CB-CB 4.12Å; V202-I374 HydrophobicContact CB-CD1 4.37Å; V202-I374 PolarHBondContact N-O 2.89Å; V202-I374 PolarHBondContact O-N 2.99Å
203L96Very high89.1Confident0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-87103.7172.6-50.3-175.8000108.4V205 I287 A313 I315 V329 I370 I373L203-V205 PolarHBondContact O-N 3.28Å; L203-I287 HydrophobicContact CB-CD1 4.34Å; L203-I287 HydrophobicContact CD1-CD1 4.04Å; L203-I287 HydrophobicContact CD1-CG1 4.29Å; L203-I287 HydrophobicContact CD1-CG2 3.98Å; L203-A313 HydrophobicContact CB-CB 4.16Å; L203-A313 HydrophobicContact CD1-CB 4.33Å; L203-A313 HydrophobicContact CG-CB 4.45Å; L203-A313 PolarHBondContact N-O 3.27Å; L203-A313 PolarHBondContact O-N 2.88Å; L203-I315 HydrophobicContact CD1-CD1 4.26Å; L203-I315 HydrophobicContact CD1-CG1 3.79Å; L203-I315 HydrophobicContact CG-CG1 4Å; L203-V329 HydrophobicContact CD1-CG1 4.38Å; L203-V329 HydrophobicContact CD1-CG2 4.28Å; L203-V329 HydrophobicContact CD2-CG1 4.22Å; L203-I370 HydrophobicContact CB-CD1 4.04Å; L203-I370 HydrophobicContact CB-CG1 4.45Å; L203-I370 HydrophobicContact CB-CG2 4.47Å; L203-I370 HydrophobicContact CD1-CD1 3.98Å; L203-I370 HydrophobicContact CD2-CD1 4.46Å; L203-I370 HydrophobicContact CG-CD1 4.38Å; L203-I373 HydrophobicContact CD2-CB 4.26Å; L203-I373 HydrophobicContact CD2-CD1 3.69Å; L203-I373 HydrophobicContact CD2-CG1 3.59Å; L203-I373 HydrophobicContact CD2-CG2 3.92Å
204V93.4Very high88.6Confident0 Ų048.5 Ų48.50%026%0.256CS..EExtended strand (participates in β ladder)trans-82.299.4-178.4-177.10000109V202 N371 Y372 I374V202-V204 HydrophobicContact CG1-CG2 3.98Å; V202-V204 PolarHBondContact O-N 2.89Å; V204-N371 WeakPolarHBondContact O-CB 3.4Å; V204-N371 PolarHBondContact O-N 2.87Å; V204-Y372 HydrophobicContact CB-CD1 4.47Å; V204-Y372 HydrophobicContact CB-CD2 4.31Å; V204-Y372 HydrophobicContact CB-CE1 4.21Å; V204-Y372 HydrophobicContact CB-CE2 4.06Å; V204-Y372 HydrophobicContact CB-CG 4.49Å; V204-Y372 WeakPolarHBondContact CB-O 3.5Å; V204-Y372 HydrophobicContact CG1-CE1 4.03Å; V204-Y372 HydrophobicContact CG1-CE2 4.48Å; V204-Y372 HydrophobicContact CG2-CD2 3.98Å; V204-Y372 HydrophobicContact CG2-CE1 4.49Å; V204-Y372 HydrophobicContact CG2-CE2 3.51Å; V204-Y372 PolarHBondContact N-O 3.08Å; V204-I374 HydrophobicContact CG2-CD1 4.23Å
205V90.1Very high88.3Confident13 Ų1349.4 Ų49.48%0.07926%0.264CS..  trans-79.8-43.3177.6173.60000111L203 V283 I287 P311 N312 I370L203-V205 PolarHBondContact O-N 3.28Å; V205-V283 HydrophobicContact CB-CG1 4.36Å; V205-V283 HydrophobicContact CG1-CB 3.68Å; V205-V283 HydrophobicContact CG1-CG1 3.76Å; V205-V283 HydrophobicContact CG1-CG2 4.2Å; V205-V283 HydrophobicContact CG2-CB 4.43Å; V205-V283 HydrophobicContact CG2-CG1 3.71Å; V205-I287 HydrophobicContact CG2-CD1 3.75Å; V205-P311 HydrophobicContact CB-CB 4.4Å; V205-P311 HydrophobicContact CG1-CB 4.15Å; V205-P311 HydrophobicContact CG1-CG 4.48Å; V205-N312 WeakPolarHBondContact CA-OD1 3.22Å; V205-N312 PolarHBondContact N-OD1 3.25Å; V205-I370 HydrophobicContact CG2-CG1 4.49Å
206S78.1Confident88Confident25 Ų2552.3 Ų52.318%0.17529%0.285CS..  trans-144.6144.9177.91780000111.2E208 N312S206-E208 WeakPolarHBondContact OG-CB 3.4Å; S206-E208 PolarHBondContact OG-N 3.39Å; S206-N312 PolarHBondContact N-OD1 2.91Å; S206-N312 PolarHBondContact O-ND2 2.87Å; S206-N312 PolarHBondContact O-OD1 2.92Å
207S68.8Low87.9Confident56 Ų5649.1 Ų49.139%0.39226%0.264SS..  trans-109.111.6169.7560000112.4A124A124-S207 WeakPolarHBondContact CB-O 3.31Å
208E73.8Confident87.8Confident154 Ų15445.7 Ų45.772%0.7225%0.248SC*.SBendtrans-73.1155.3178.8-65.3-176.4167.400111.8S206 K210S206-E208 WeakPolarHBondContact OG-CB 3.4Å; S206-E208 PolarHBondContact OG-N 3.39Å; E208-K210 PolarHBondContact O-N 2.82Å
209R69.1Low87.7Confident232 Ų23247 Ų4788%0.87526%0.255SS*.PPolyproline II helixtrans-63.2130.3176.8-171177.1-177.5175.81.3109.2
210K72.6Confident87.7Confident63 Ų6347.6 Ų47.627%0.27426%0.262SS..PPolyproline II helixtrans-55.8134.9177.1-55.6174.4-178.9-156.50110.2G126 E208 I212 A309G126-K210 VanDerWaalsContact CA-CE 3.41Å; E208-K210 PolarHBondContact O-N 2.82Å; K210-I212 VanDerWaalsContact C-N 3.35Å; K210-I212 PolarHBondContact O-N 2.87Å; K210-A309 WeakPolarHBondContact CD-O 3.24Å; K210-A309 WeakPolarHBondContact CE-O 3.33Å; K210-A309 PolarHBondContact NZ-O 2.92Å
211P72.6Confident87.7Confident116 Ų11647.6 Ų47.675%0.75326%0.262SS*.SBendtrans-66.1-38.2177.923.5-30.9000111.8
212I83.3Confident87.7Confident59 Ų5950.2 Ų50.230%0.30328%0.277SS..SBendtrans-122.4119.5178.9-60.7172.5000109.5K210 I277 Y279K210-I212 VanDerWaalsContact C-N 3.35Å; K210-I212 PolarHBondContact O-N 2.87Å; I212-I277 HydrophobicContact CD1-CB 4.44Å; I212-I277 HydrophobicContact CD1-CG1 4.06Å; I212-I277 HydrophobicContact CD1-CG2 4.19Å; I212-I277 HydrophobicContact CG2-CD1 4.45Å; I212-Y279 WeakPolarHBondContact O-CE1 3.35Å; I212-Y279 PolarHBondContact O-OH 3.07Å; I212-Y279 VanDerWaalsContact O-OH 3.05Å
213G88.4Confident87.7Confident38 Ų3856.7 Ų56.739%0.39231%0.308SS..  trans-66145.1175.500000112.1T215 S216 G217G213-T215 VanDerWaalsContact C-N 3.29Å; G213-T215 PolarHBondContact O-N 3.36Å; G213-S216 PolarHBondContact O-N 3.09Å; G213-S216 PolarHBondContact O-OG 3.07Å; G213-S216 VanDerWaalsContact O-OG 3.14Å; G213-G217 PolarHBondContact O-N 3.39Å
214S89.3Confident87.9Confident39 Ų3959.2 Ų59.227%0.27332%0.323SS..Hα-helixtrans-61.2-34.7-176.3-53.70000113.4M218 A309S214-M218 WeakPolarHBondContact O-CB 3.49Å; S214-M218 WeakPolarHBondContact O-CE 3.38Å; S214-M218 VanDerWaalsContact O-CG 3.24Å; S214-M218 WeakPolarHBondContact O-CG 3.42Å; S214-M218 PolarHBondContact O-N 3.22Å; S214-A309 WeakPolarHBondContact OG-CB 3.11Å
215T91.1Very high88.1Confident56 Ų5659.5 Ų59.534%0.34433%0.325SS..Hα-helixtrans-62-53.3179.6-58.20000111.7R80 G213 M218 Q219R80-T215 PolarHBondContact NH2-OG1 3.36Å; G213-T215 VanDerWaalsContact C-N 3.29Å; G213-T215 PolarHBondContact O-N 3.36Å; T215-M218 WeakPolarHBondContact O-CG 3.38Å; T215-Q219 PolarHBondContact O-N 3.31Å
216S93.6Very high88.5Confident66 Ų6665.5 Ų65.546%0.46236%0.356SS..Hα-helixtrans-68.9-45.7-179.751.50000110.4G213 M218 Q219 T220G213-S216 PolarHBondContact O-N 3.09Å; G213-S216 PolarHBondContact O-OG 3.07Å; G213-S216 VanDerWaalsContact O-OG 3.14Å; S216-M218 PolarHBondContact O-N 3.05Å; S216-Q219 PolarHBondContact O-N 3.17Å; S216-Q219 VanDerWaalsContact O-N 3.12Å; S216-T220 PolarHBondContact O-N 3.02Å; S216-T220 PolarHBondContact O-OG1 2.9Å; S216-T220 VanDerWaalsContact O-OG1 3.1Å
217G95.9Very high89.4Confident0 Ų068.8 Ų68.80%037%0.371CS..Hα-helixtrans-56-47.7-179.600000113W26 G213 Q219 T220 S221 I277W26-G217 VanDerWaalsContact CZ2-C 3.47Å; G213-G217 PolarHBondContact O-N 3.39Å; G217-Q219 VanDerWaalsContact C-N 3.28Å; G217-Q219 PolarHBondContact O-N 3.46Å; G217-T220 PolarHBondContact O-N 2.76Å; G217-S221 PolarHBondContact O-N 2.8Å; G217-S221 PolarHBondContact O-OG 3.43Å; G217-S221 VanDerWaalsContact O-OG 3.07Å; G217-I277 VanDerWaalsContact CA-CD1 3.46Å; G217-I277 WeakPolarHBondContact O-CD1 3.47Å
218M96.8Very high90.9Very high11 Ų1166.2 Ų66.25%0.05435%0.353CS..Hα-helixtrans-68.9-28.4-17978.3178.764.100113.2Y25 W26 K28 S214 T215 S216 V222Y25-M218 HydrophobicContact CE1-CE 3.91Å; Y25-M218 HydrophobicContact CE1-SD 4.08Å; Y25-M218 HydrophobicContact CE2-SD 4.27Å; Y25-M218 PolarHBondContact OH-SD 3.03Å; W26-M218 HydrophobicContact CD2-CB 3.45Å; W26-M218 VanDerWaalsContact CD2-CB 3.45Å; W26-M218 VanDerWaalsContact CE2-CB 3.5Å; W26-M218 HydrophobicContact CE3-CB 3.69Å; W26-M218 HydrophobicContact CE3-CE 4.07Å; W26-M218 HydrophobicContact CG-CB 4.05Å; W26-M218 HydrophobicContact CH2-CB 3.96Å; W26-M218 VanDerWaalsContact CZ2-CA 3.47Å; W26-M218 HydrophobicContact CZ2-CB 3.77Å; W26-M218 VanDerWaalsContact CZ2-N 3.26Å; W26-M218 HydrophobicContact CZ3-CB 3.94Å; W26-M218 HydrophobicContact CZ3-CE 4.1Å; K28-M218 HydrophobicContact CG-SD 4.16Å; K28-M218 PolarHBondContact NZ-SD 3.41Å; S214-M218 WeakPolarHBondContact O-CB 3.49Å; S214-M218 WeakPolarHBondContact O-CE 3.38Å; S214-M218 VanDerWaalsContact O-CG 3.24Å; S214-M218 WeakPolarHBondContact O-CG 3.42Å; S214-M218 PolarHBondContact O-N 3.22Å; T215-M218 WeakPolarHBondContact O-CG 3.38Å; S216-M218 PolarHBondContact O-N 3.05Å; M218-V222 WeakPolarHBondContact O-CG2 3.22Å; M218-V222 PolarHBondContact O-N 2.92Å
219Q96.9Very high92Very high29 Ų2964.2 Ų64.214%0.13634%0.343CS..Hα-helixtrans-75.3-40.6177.8-168.759.812.300111E31 T215 S216 G217 S221 V222 Q223E31-Q219 WeakPolarHBondContact OE1-CG 3.49Å; E31-Q219 PolarHBondContact OE1-NE2 3.4Å; T215-Q219 PolarHBondContact O-N 3.31Å; S216-Q219 PolarHBondContact O-N 3.17Å; S216-Q219 VanDerWaalsContact O-N 3.12Å; G217-Q219 VanDerWaalsContact C-N 3.28Å; G217-Q219 PolarHBondContact O-N 3.46Å; Q219-S221 VanDerWaalsContact C-N 3.3Å; Q219-S221 PolarHBondContact O-N 2.88Å; Q219-V222 PolarHBondContact O-N 3.07Å; Q219-Q223 WeakPolarHBondContact O-CG 3.34Å; Q219-Q223 PolarHBondContact O-N 3.35Å; Q219-Q223 VanDerWaalsContact O-N 3.07Å
220T97.9Very high93.4Very high42 Ų4258.5 Ų58.526%0.25833%0.326SS..Hα-helixtrans-59.5-43.4170-49.80000110.6S216 G217 V222 Q223 T224 T273 H274S216-T220 PolarHBondContact O-N 3.02Å; S216-T220 PolarHBondContact O-OG1 2.9Å; S216-T220 VanDerWaalsContact O-OG1 3.1Å; G217-T220 PolarHBondContact O-N 2.76Å; T220-V222 VanDerWaalsContact C-N 3.34Å; T220-V222 PolarHBondContact O-N 2.66Å; T220-Q223 PolarHBondContact O-N 2.8Å; T220-Q223 VanDerWaalsContact O-N 3.09Å; T220-T224 HydrophobicContact CG2-CG2 4.38Å; T220-T224 PolarHBondContact O-N 3Å; T220-T224 PolarHBondContact O-OG1 3.37Å; T220-T273 HydrophobicContact CG2-CG2 3.56Å; T220-H274 WeakPolarHBondContact CG2-O 3.27Å
221S98.6Very high94.7Very high0 Ų055.5 Ų55.50%031%0.313CS..Hα-helixtrans-59.2-42.8175.5-56.90000112.5W26 G217 Q219 Q223 T224 S225 T273W26-S221 VanDerWaalsContact NE1-CB 3.33Å; W26-S221 PolarHBondContact NE1-OG 2.87Å; G217-S221 PolarHBondContact O-N 2.8Å; G217-S221 PolarHBondContact O-OG 3.43Å; G217-S221 VanDerWaalsContact O-OG 3.07Å; Q219-S221 VanDerWaalsContact C-N 3.3Å; Q219-S221 PolarHBondContact O-N 2.88Å; S221-Q223 PolarHBondContact O-N 3.41Å; S221-T224 PolarHBondContact O-N 2.9Å; S221-S225 WeakPolarHBondContact O-CB 3.24Å; S221-S225 PolarHBondContact O-N 3.44Å; S221-T273 WeakPolarHBondContact CA-OG1 3.3Å; S221-T273 VanDerWaalsContact CB-OG1 3.28Å; S221-T273 WeakPolarHBondContact CB-OG1 3.31Å; S221-T273 PolarHBondContact OG-OG1 3.47Å
222V98.3Very high95.9Very high55 Ų5550.4 Ų50.433%0.33328%0.281SS..Hα-helixtrans-59.1-39175.4167.60000111.4I37 M218 Q219 T220 L228I37-V222 HydrophobicContact CD1-CG2 4.33Å; M218-V222 WeakPolarHBondContact O-CG2 3.22Å; M218-V222 PolarHBondContact O-N 2.92Å; Q219-V222 PolarHBondContact O-N 3.07Å; T220-V222 VanDerWaalsContact C-N 3.34Å; T220-V222 PolarHBondContact O-N 2.66Å; V222-L228 HydrophobicContact CG2-CD2 3.93Å
223Q98.1Very high96.6Very high137 Ų13753.8 Ų53.864%0.6430%0.295SS*.Hα-helixtrans-75.4-29.6-177.3-69.41690.300113.5Q219 T220 S221Q219-Q223 WeakPolarHBondContact O-CG 3.34Å; Q219-Q223 PolarHBondContact O-N 3.35Å; Q219-Q223 VanDerWaalsContact O-N 3.07Å; T220-Q223 PolarHBondContact O-N 2.8Å; T220-Q223 VanDerWaalsContact O-N 3.09Å; S221-Q223 PolarHBondContact O-N 3.41Å
224T98.4Very high97.1Very high53 Ų5354.8 Ų54.833%0.32530%0.3SS..Hα-helixtrans-125.4-20.3-165.769.80000115.4T220 S221 T273 H274T220-T224 HydrophobicContact CG2-CG2 4.38Å; T220-T224 PolarHBondContact O-N 3Å; T220-T224 PolarHBondContact O-OG1 3.37Å; S221-T224 PolarHBondContact O-N 2.9Å; T224-T273 WeakPolarHBondContact OG1-CA 3.34Å; T224-T273 WeakPolarHBondContact OG1-CG2 3.28Å; T224-H274 HydrophobicContact CG2-CB 4.36Å; T224-H274 PolarHBondContact OG1-N 3.09Å
225S98.7Very high97.5Very high5 Ų554.2 Ų54.24%0.03530%0.295CS..  trans-92.5109.5-176.1174.70000111.1S221 L227 L228 D272S221-S225 WeakPolarHBondContact O-CB 3.24Å; S221-S225 PolarHBondContact O-N 3.44Å; S225-L227 VanDerWaalsContact C-N 3.25Å; S225-L227 PolarHBondContact O-N 2.84Å; S225-L228 PolarHBondContact O-N 3.29Å; S225-L228 PolarHBondContact OG-N 3.34Å; S225-D272 WeakPolarHBondContact CA-OD2 3.47Å; S225-D272 VanDerWaalsContact CB-OD2 3.29Å; S225-D272 WeakPolarHBondContact CB-OD2 3.49Å; S225-D272 PolarHBondContact OG-OD2 3.48Å
226L97.5Very high97.9Very high139 Ų13951.6 Ų51.673%0.72828%0.279SS*.Hα-helixtrans-66.8-31.4173.1-62.9179000111.3L228 Q229 H230 D272L226-L228 VanDerWaalsContact C-N 3.31Å; L226-L228 PolarHBondContact O-N 3.38Å; L226-Q229 PolarHBondContact O-N 3.33Å; L226-H230 PolarHBondContact O-N 3.03Å; L226-D272 PolarHBondContact N-OD2 2.89Å
227L98.8Very high98.1Very high94 Ų9451.9 Ų51.949%0.49228%0.279SS..Hα-helixtrans-68.9-29.7177.2-61.1-174.4000112.4S225 R231 T269 D272S225-L227 VanDerWaalsContact C-N 3.25Å; S225-L227 PolarHBondContact O-N 2.84Å; L227-R231 VanDerWaalsContact O-CB 3.27Å; L227-R231 WeakPolarHBondContact O-CB 3.38Å; L227-R231 PolarHBondContact O-N 3.08Å; L227-T269 HydrophobicContact CB-CG2 4.37Å; L227-D272 HydrophobicContact CB-CB 4.34Å; L227-D272 WeakPolarHBondContact CB-OD2 3.29Å; L227-D272 HydrophobicContact CD1-CB 3.96Å; L227-D272 HydrophobicContact CG-CB 4.26Å; L227-D272 WeakPolarHBondContact CG-OD2 3.45Å; L227-D272 PolarHBondContact N-OD2 3.5Å
228L98.8Very high98.3Very high2 Ų259.3 Ų59.31%0.0131%0.307CS..Hα-helixtrans-65.8-41.1177.5-177.959.5000111.8I37 V222 S225 L226 R231 A232 T269I37-L228 HydrophobicContact CD1-CD1 3.98Å; I37-L228 HydrophobicContact CD1-CD2 4Å; I37-L228 HydrophobicContact CD1-CG 3.77Å; V222-L228 HydrophobicContact CG2-CD2 3.93Å; S225-L228 PolarHBondContact O-N 3.29Å; S225-L228 PolarHBondContact OG-N 3.34Å; L226-L228 VanDerWaalsContact C-N 3.31Å; L226-L228 PolarHBondContact O-N 3.38Å; L228-R231 WeakPolarHBondContact O-CB 3.17Å; L228-R231 PolarHBondContact O-N 2.5Å; L228-A232 PolarHBondContact O-N 3.26Å; L228-T269 HydrophobicContact CB-CG2 4.12Å; L228-T269 HydrophobicContact CD1-CG2 4.11Å
229Q97.3Very high98.4Very high112 Ų11260.4 Ų60.452%0.52331%0.311SS..Hα-helixtrans-60.1-52.3177-174.3177.85.400110.8L226 R231 A232 E233L226-Q229 PolarHBondContact O-N 3.33Å; Q229-R231 VanDerWaalsContact C-N 3.3Å; Q229-R231 PolarHBondContact O-N 2.75Å; Q229-A232 PolarHBondContact O-N 3.49Å; Q229-E233 WeakPolarHBondContact CG-OE1 3.47Å; Q229-E233 PolarHBondContact NE2-OE1 3.48Å; Q229-E233 WeakPolarHBondContact O-CG 3.34Å; Q229-E233 PolarHBondContact O-N 3.4Å
230H98.7Very high98.5Very high112 Ų11259.7 Ų59.752%0.51931%0.307SS..Hα-helixtrans-60.2-40.1177.4-178.774.9000112.3L226 A232 A234L226-H230 PolarHBondContact O-N 3.03Å; H230-A232 PolarHBondContact O-N 3.15Å; H230-A234 WeakPolarHBondContact O-CB 3.43Å; H230-A234 PolarHBondContact O-N 2.97Å
231R98.8Very high98.5Very high0 Ų061.6 Ų61.60%032%0.319CS..Iπ-helixtrans-56.8-50.4175168.7-178.5167.374.22.7111.2L227 L228 Q229 V235 V236 D262 T269L227-R231 VanDerWaalsContact O-CB 3.27Å; L227-R231 WeakPolarHBondContact O-CB 3.38Å; L227-R231 PolarHBondContact O-N 3.08Å; L228-R231 WeakPolarHBondContact O-CB 3.17Å; L228-R231 PolarHBondContact O-N 2.5Å; Q229-R231 VanDerWaalsContact C-N 3.3Å; Q229-R231 PolarHBondContact O-N 2.75Å; R231-V235 WeakPolarHBondContact O-CB 3.05Å; R231-V235 PolarHBondContact O-N 2.79Å; R231-V235 VanDerWaalsContact O-N 3.14Å; R231-V236 HydrophobicContact CG-CG2 3.89Å; R231-V236 WeakPolarHBondContact O-CG2 3.28Å; R231-V236 PolarHBondContact O-N 3.11Å; R231-D262 IonicContact CZ-OD1 2.75Å; R231-D262 IonicContact CZ-OD2 3.71Å; R231-D262 IonicContact NH1-OD1 3.33Å; R231-D262 PolarHBondContact NH1-OD1 3.25Å; R231-D262 IonicContact NH1-OD2 3.46Å; R231-D262 VanDerWaalsContact NH2-CG 3.29Å; R231-D262 IonicContact NH2-OD1 2.75Å; R231-D262 PolarHBondContact NH2-OD1 3.18Å; R231-D262 VanDerWaalsContact NH2-OD1 3.13Å; R231-D262 IonicContact NH2-OD2 3.05Å; R231-D262 PolarHBondContact NH2-OD2 3.3Å; R231-T269 HydrophobicContact CB-CG2 4.4Å
232A98.6Very high98.5Very high9 Ų963.5 Ų63.57%0.07433%0.329CS..Iπ-helixtrans-66.7-43-175.500000112.2I37 N38 L228 Q229 H230 P237I37-A232 HydrophobicContact CB-CB 4.23Å; I37-A232 HydrophobicContact CD1-CB 3.73Å; I37-A232 HydrophobicContact CG1-CB 3.83Å; N38-A232 HydrophobicContact CB-CB 4.23Å; L228-A232 PolarHBondContact O-N 3.26Å; Q229-A232 PolarHBondContact O-N 3.49Å; H230-A232 PolarHBondContact O-N 3.15Å; A232-P237 WeakPolarHBondContact O-CD 3.49Å
233E98.2Very high98.6Very high130 Ų13060.9 Ų60.961%0.60731%0.313SS*.Iπ-helixtrans-79.8-42.4-174.9-67171.5-173.500113Q229Q229-E233 WeakPolarHBondContact CG-OE1 3.47Å; Q229-E233 PolarHBondContact NE2-OE1 3.48Å; Q229-E233 WeakPolarHBondContact O-CG 3.34Å; Q229-E233 PolarHBondContact O-N 3.4Å
234A98.4Very high98.6Very high59 Ų5955.4 Ų55.449%0.48829%0.288SS..Iπ-helixtrans-110.8-22.2-167.500000114.7H230H230-A234 WeakPolarHBondContact O-CB 3.43Å; H230-A234 PolarHBondContact O-N 2.97Å
235V98.8Very high98.6Very high28 Ų2856.4 Ų56.417%0.1729%0.289CS..Iπ-helixtrans-105.4-53.3-172-175.40000112.2R231 R238 R239R231-V235 WeakPolarHBondContact O-CB 3.05Å; R231-V235 PolarHBondContact O-N 2.79Å; R231-V235 VanDerWaalsContact O-N 3.14Å; V235-R238 PolarHBondContact O-N 2.8Å; V235-R239 HydrophobicContact CG1-CG 4.32Å; V235-R239 PolarHBondContact O-N 3.02Å
236V98.9Very high98.6Very high1 Ų156.4 Ų56.41%0.00629%0.29CS..Hα-helixtrans-62.7-40.1-173175.30000113.5I23 N38 S39 R231 R238 R239 M240I23-V236 HydrophobicContact CG2-CG1 3.84Å; N38-V236 HydrophobicContact CB-CB 4.04Å; N38-V236 HydrophobicContact CB-CG1 3.82Å; N38-V236 HydrophobicContact CB-CG2 4.36Å; S39-V236 WeakPolarHBondContact O-CG1 3.31Å; R231-V236 HydrophobicContact CG-CG2 3.89Å; R231-V236 WeakPolarHBondContact O-CG2 3.28Å; R231-V236 PolarHBondContact O-N 3.11Å; V236-R238 VanDerWaalsContact C-N 3.29Å; V236-R238 PolarHBondContact O-N 2.7Å; V236-R239 PolarHBondContact O-N 2.81Å; V236-R239 VanDerWaalsContact O-N 3.15Å; V236-M240 HydrophobicContact CG1-CG 3.98Å; V236-M240 WeakPolarHBondContact O-CG 3.33Å; V236-M240 PolarHBondContact O-N 3.12Å
237P98.8Very high98.7Very high72 Ų7249.8 Ų49.847%0.46826%0.255SS..Hα-helixtrans-56-43.3179.7-28.536.8000112.8A232 V241A232-P237 WeakPolarHBondContact O-CD 3.49Å; P237-V241 PolarHBondContact O-N 3.23Å
238R98.7Very high98.7Very high156 Ų15652.3 Ų52.359%0.58926%0.258SS*.Hα-helixtrans-68.6-44.5176.7-178.962.8-163.4-164.39.4111.8V235 V236 M240 V241 D242V235-R238 PolarHBondContact O-N 2.8Å; V236-R238 VanDerWaalsContact C-N 3.29Å; V236-R238 PolarHBondContact O-N 2.7Å; R238-M240 VanDerWaalsContact C-N 3.27Å; R238-M240 PolarHBondContact O-N 2.84Å; R238-V241 PolarHBondContact O-N 3.44Å; R238-V241 VanDerWaalsContact O-N 3.14Å; R238-D242 WeakPolarHBondContact CG-OD2 3.48Å; R238-D242 IonicContact CZ-OD1 3.15Å; R238-D242 IonicContact CZ-OD2 3.97Å; R238-D242 IonicContact NE-OD1 3.21Å; R238-D242 PolarHBondContact NE-OD1 3.47Å; R238-D242 IonicContact NE-OD2 2.83Å; R238-D242 PolarHBondContact NE-OD2 2.87Å; R238-D242 IonicContact NH2-OD1 2.76Å; R238-D242 PolarHBondContact NH2-OD1 3.13Å; R238-D242 IonicContact NH2-OD2 3.97Å; R238-D242 PolarHBondContact O-N 3.17Å
239R98.9Very high98.7Very high34 Ų3460.5 Ų60.513%0.12829%0.289CS..Hα-helixtrans-61-33.9177.6-74.4-170175.7155.25.1113.5I23 V235 V236 M243 L258 D262I23-R239 HydrophobicContact CD1-CB 3.91Å; V235-R239 HydrophobicContact CG1-CG 4.32Å; V235-R239 PolarHBondContact O-N 3.02Å; V236-R239 PolarHBondContact O-N 2.81Å; V236-R239 VanDerWaalsContact O-N 3.15Å; R239-M243 WeakPolarHBondContact O-CB 3.47Å; R239-M243 PolarHBondContact O-N 2.94Å; R239-L258 HydrophobicContact CG-CD2 4.22Å; R239-D262 VanDerWaalsContact CD-OD1 3.31Å; R239-D262 WeakPolarHBondContact CD-OD1 3.4Å; R239-D262 IonicContact CZ-OD1 2.92Å; R239-D262 IonicContact NE-OD1 3.74Å; R239-D262 IonicContact NH1-OD1 2.58Å; R239-D262 PolarHBondContact NH1-OD1 3.17Å
240M98.9Very high98.8Very high13 Ų1359.2 Ų59.26%0.06428%0.281CS..Hα-helixtrans-61.7-46.8174.5-77.9-65.7-60.500111.1I23 L41 Q172 V236 R238 I244I23-M240 HydrophobicContact CB-SD 3.89Å; I23-M240 HydrophobicContact CG1-SD 4.14Å; I23-M240 HydrophobicContact CG2-CG 4.23Å; I23-M240 HydrophobicContact CG2-SD 3.7Å; L41-M240 HydrophobicContact CB-CE 4.04Å; L41-M240 HydrophobicContact CB-SD 3.93Å; L41-M240 HydrophobicContact CD1-CE 4.42Å; Q172-M240 HydrophobicContact CB-CE 3.87Å; V236-M240 HydrophobicContact CG1-CG 3.98Å; V236-M240 WeakPolarHBondContact O-CG 3.33Å; V236-M240 PolarHBondContact O-N 3.12Å; R238-M240 VanDerWaalsContact C-N 3.27Å; R238-M240 PolarHBondContact O-N 2.84Å; M240-I244 HydrophobicContact CE-CD1 4.34Å; M240-I244 WeakPolarHBondContact O-CB 3.46Å; M240-I244 WeakPolarHBondContact O-CD1 3.26Å; M240-I244 WeakPolarHBondContact O-CG1 3.45Å; M240-I244 PolarHBondContact O-N 3.03Å
241V98.9Very high98.8Very high83 Ų8357 Ų5750%0.50327%0.273SS..Hα-helixtrans-60.7-52.1177176.30000110.7P237 R238 M243 I244 E245P237-V241 PolarHBondContact O-N 3.23Å; R238-V241 PolarHBondContact O-N 3.44Å; R238-V241 VanDerWaalsContact O-N 3.14Å; V241-M243 VanDerWaalsContact C-N 3.34Å; V241-M243 PolarHBondContact O-N 3.36Å; V241-I244 PolarHBondContact O-N 2.9Å; V241-E245 PolarHBondContact O-N 2.7Å
242D98.9Very high98.8Very high40 Ų4057.4 Ų57.421%0.21428%0.275CS..Hα-helixtrans-64.1-38.6-177.3-62.4-28.6000111.8R238 E245 A246 L258R238-D242 WeakPolarHBondContact CG-OD2 3.48Å; R238-D242 IonicContact CZ-OD1 3.15Å; R238-D242 IonicContact CZ-OD2 3.97Å; R238-D242 IonicContact NE-OD1 3.21Å; R238-D242 PolarHBondContact NE-OD1 3.47Å; R238-D242 IonicContact NE-OD2 2.83Å; R238-D242 PolarHBondContact NE-OD2 2.87Å; R238-D242 IonicContact NH2-OD1 2.76Å; R238-D242 PolarHBondContact NH2-OD1 3.13Å; R238-D242 IonicContact NH2-OD2 3.97Å; R238-D242 PolarHBondContact O-N 3.17Å; D242-E245 PolarHBondContact O-N 3.23Å; D242-A246 WeakPolarHBondContact O-CB 3.35Å; D242-A246 PolarHBondContact O-N 3.28Å; D242-L258 HydrophobicContact CB-CD1 3.86Å; D242-L258 HydrophobicContact CB-CD2 4.38Å
243M98.9Very high98.8Very high0 Ų060.2 Ų60.20%029%0.293CS..Hα-helixtrans-67.5-42.8177.5-179.56276.300112V22 I23 L41 R239 V241 E245 A246 V247 F255 L258V22-M243 HydrophobicContact CB-CE 3.99Å; V22-M243 HydrophobicContact CG2-CE 3.93Å; V22-M243 HydrophobicContact CG2-CG 4.06Å; V22-M243 HydrophobicContact CG2-SD 3.99Å; I23-M243 HydrophobicContact CD1-CB 4.17Å; I23-M243 HydrophobicContact CD1-CE 3.9Å; I23-M243 HydrophobicContact CD1-CG 4.4Å; I23-M243 HydrophobicContact CG1-CB 3.96Å; I23-M243 HydrophobicContact CG1-CE 4.29Å; I23-M243 HydrophobicContact CG1-CG 3.98Å; L41-M243 HydrophobicContact CD1-CG 4.06Å; L41-M243 HydrophobicContact CD2-CG 4.05Å; L41-M243 HydrophobicContact CG-CG 4.5Å; R239-M243 WeakPolarHBondContact O-CB 3.47Å; R239-M243 PolarHBondContact O-N 2.94Å; V241-M243 VanDerWaalsContact C-N 3.34Å; V241-M243 PolarHBondContact O-N 3.36Å; M243-E245 VanDerWaalsContact C-N 3.28Å; M243-E245 PolarHBondContact O-N 3.18Å; M243-A246 PolarHBondContact O-N 2.91Å; M243-V247 WeakPolarHBondContact O-CG2 3.31Å; M243-V247 PolarHBondContact O-N 3.19Å; M243-V247 HydrophobicContact SD-CG2 4.41Å; M243-F255 HydrophobicContact CE-CD2 4.4Å; M243-F255 HydrophobicContact SD-CD2 3.46Å; M243-F255 WeakPolarHBondContact SD-CD2 3.46Å; M243-F255 HydrophobicContact SD-CE2 3.97Å; M243-F255 HydrophobicContact SD-CG 4.32Å; M243-L258 HydrophobicContact CB-CD1 4.21Å; M243-L258 HydrophobicContact CE-CB 3.42Å; M243-L258 VanDerWaalsContact CE-CB 3.42Å; M243-L258 HydrophobicContact CE-CD1 4.35Å
244I98.9Very high98.8Very high22 Ų2255.4 Ų55.411%0.11328%0.275CS..Hα-helixtrans-61.1-41.9176.1-72.3167.1000110.2L41 V189 M240 V241 V247 R248L41-I244 HydrophobicContact CD1-CD1 4.34Å; L41-I244 HydrophobicContact CD1-CG1 3.44Å; L41-I244 VanDerWaalsContact CD1-CG1 3.44Å; V189-I244 HydrophobicContact CG1-CB 4.39Å; V189-I244 HydrophobicContact CG1-CG1 4.11Å; V189-I244 HydrophobicContact CG1-CG2 3.83Å; V189-I244 HydrophobicContact CG2-CG1 4.36Å; M240-I244 HydrophobicContact CE-CD1 4.34Å; M240-I244 WeakPolarHBondContact O-CB 3.46Å; M240-I244 WeakPolarHBondContact O-CD1 3.26Å; M240-I244 WeakPolarHBondContact O-CG1 3.45Å; M240-I244 PolarHBondContact O-N 3.03Å; V241-I244 PolarHBondContact O-N 2.9Å; I244-V247 PolarHBondContact O-N 2.79Å; I244-R248 WeakPolarHBondContact O-CB 3.35Å; I244-R248 WeakPolarHBondContact O-CG 3.36Å; I244-R248 PolarHBondContact O-N 2.67Å
245E98.9Very high98.9Very high74 Ų7452.6 Ų52.635%0.34625%0.252SS..Hα-helixtrans-63.9-44.7175.9-176.8168.1-151.700112.2V241 D242 M243 V247 R248 R249V241-E245 PolarHBondContact O-N 2.7Å; D242-E245 PolarHBondContact O-N 3.23Å; M243-E245 VanDerWaalsContact C-N 3.28Å; M243-E245 PolarHBondContact O-N 3.18Å; E245-V247 VanDerWaalsContact C-N 3.33Å; E245-V247 PolarHBondContact O-N 2.94Å; E245-R248 PolarHBondContact O-N 3.45Å; E245-R249 WeakPolarHBondContact O-CB 3.45Å; E245-R249 WeakPolarHBondContact O-CG 3.16Å; E245-R249 PolarHBondContact O-N 2.71Å; E245-R249 IonicContact OE1-CZ 2.92Å; E245-R249 IonicContact OE1-NE 3.23Å; E245-R249 PolarHBondContact OE1-NE 3.18Å; E245-R249 IonicContact OE1-NH1 3.49Å; E245-R249 PolarHBondContact OE1-NH1 2.91Å; E245-R249 IonicContact OE1-NH2 2.64Å; E245-R249 PolarHBondContact OE1-NH2 3.2Å
246A98.9Very high98.9Very high5 Ų551.3 Ų51.34%0.04124%0.244CC..Hα-helixtrans-59.5-42.8176.200000112D242 M243 R249 K250 D251 A254 F255D242-A246 WeakPolarHBondContact O-CB 3.35Å; D242-A246 PolarHBondContact O-N 3.28Å; M243-A246 PolarHBondContact O-N 2.91Å; A246-R249 PolarHBondContact O-N 3.18Å; A246-K250 WeakPolarHBondContact O-CA 3.43Å; A246-K250 PolarHBondContact O-N 3.47Å; A246-D251 HydrophobicContact CB-CB 4.46Å; A246-D251 PolarHBondContact O-N 2.74Å; A246-A254 HydrophobicContact CB-CB 3.91Å; A246-F255 HydrophobicContact CB-CB 4.21Å
247V98.9Very high98.9Very high0 Ų055.7 Ų55.70%027%0.265CS..Hα-helixtrans-62.3-49.3175.2168.70000111.2F170 E190 H194 M243 I244 E245 R249 K250 F255F170-V247 HydrophobicContact CB-CG1 3.92Å; F170-V247 HydrophobicContact CD1-CB 4.31Å; F170-V247 HydrophobicContact CD1-CG1 3.67Å; F170-V247 HydrophobicContact CD1-CG2 3.56Å; F170-V247 HydrophobicContact CD2-CG1 3.61Å; F170-V247 HydrophobicContact CE1-CG1 4.03Å; F170-V247 HydrophobicContact CE1-CG2 3.75Å; F170-V247 HydrophobicContact CE2-CG1 3.98Å; F170-V247 HydrophobicContact CG-CG1 3.45Å; F170-V247 VanDerWaalsContact CG-CG1 3.45Å; F170-V247 HydrophobicContact CG-CG2 4.2Å; F170-V247 HydrophobicContact CZ-CG1 4.17Å; E190-V247 HydrophobicContact CB-CG1 4.18Å; E190-V247 HydrophobicContact CG-CG1 3.91Å; H194-V247 PolarHBondContact CD2-O 3.39Å; H194-V247 PolarHBondContact NE2-O 3.13Å; M243-V247 WeakPolarHBondContact O-CG2 3.31Å; M243-V247 PolarHBondContact O-N 3.19Å; M243-V247 HydrophobicContact SD-CG2 4.41Å; I244-V247 PolarHBondContact O-N 2.79Å; E245-V247 VanDerWaalsContact C-N 3.33Å; E245-V247 PolarHBondContact O-N 2.94Å; V247-R249 VanDerWaalsContact C-N 3.28Å; V247-R249 PolarHBondContact O-N 3.21Å; V247-K250 PolarHBondContact O-N 3.06Å; V247-K250 VanDerWaalsContact O-N 3.09Å; V247-F255 HydrophobicContact CG2-CD2 4.09Å; V247-F255 HydrophobicContact CG2-CE2 4.42Å
248R98.8Very high98.9Very high146 Ų14653.4 Ų53.455%0.55125%0.248SC*.Hα-helixtrans-58.2-40.5179.7-80174.1173.8160.22.1112.6E190 H194 I244 E245 K250E190-R248 HydrophobicContact CG-CG 4.29Å; E190-R248 VanDerWaalsContact OE1-CG 3.31Å; E190-R248 WeakPolarHBondContact OE1-CG 3.41Å; E190-R248 IonicContact OE1-NE 3.06Å; H194-R248 PolarHBondContact CE1-O 2.8Å; H194-R248 PolarHBondContact NE2-O 3.25Å; I244-R248 WeakPolarHBondContact O-CB 3.35Å; I244-R248 WeakPolarHBondContact O-CG 3.36Å; I244-R248 PolarHBondContact O-N 2.67Å; E245-R248 PolarHBondContact O-N 3.45Å; R248-K250 VanDerWaalsContact C-N 3.35Å
249R98.8Very high98.9Very high174 Ų17446 Ų4666%0.65722%0.22SC*.Hα-helixtrans-84.8-5.7179.8-65.8-179.1178.2-171.92.5114.1E245 A246 V247 D251E245-R249 WeakPolarHBondContact O-CB 3.45Å; E245-R249 WeakPolarHBondContact O-CG 3.16Å; E245-R249 PolarHBondContact O-N 2.71Å; E245-R249 IonicContact OE1-CZ 2.92Å; E245-R249 IonicContact OE1-NE 3.23Å; E245-R249 PolarHBondContact OE1-NE 3.18Å; E245-R249 IonicContact OE1-NH1 3.49Å; E245-R249 PolarHBondContact OE1-NH1 2.91Å; E245-R249 IonicContact OE1-NH2 2.64Å; E245-R249 PolarHBondContact OE1-NH2 3.2Å; A246-R249 PolarHBondContact O-N 3.18Å; V247-R249 VanDerWaalsContact C-N 3.28Å; V247-R249 PolarHBondContact O-N 3.21Å; R249-D251 HydrophobicContact CB-CB 4.33Å; R249-D251 PolarHBondContact O-N 2.81Å
250K98.8Very high98.9Very high85 Ų8545 Ų4537%0.3722%0.217SC..THydrogen-bonded Turntrans52.434.9-169.7-53.3178.9-171-172.10112.3H194 W195 A246 V247 R248 F252H194-K250 WeakPolarHBondContact O-CE 3.48Å; H194-K250 PolarHBondContact O-NZ 2.79Å; W195-K250 HydrophobicContact CD2-CB 4.02Å; W195-K250 HydrophobicContact CD2-CG 4.04Å; W195-K250 HydrophobicContact CE3-CB 4.47Å; W195-K250 HydrophobicContact CG-CB 4.41Å; W195-K250 HydrophobicContact CG-CD 4.29Å; W195-K250 HydrophobicContact CG-CG 4.06Å; W195-K250 HydrophobicContact CH2-CB 4.41Å; W195-K250 VanDerWaalsContact CZ2-C 3.48Å; W195-K250 HydrophobicContact CZ2-CB 3.92Å; W195-K250 VanDerWaalsContact CZ2-O 3.29Å; W195-K250 WeakPolarHBondContact CZ2-O 3.44Å; A246-K250 WeakPolarHBondContact O-CA 3.43Å; A246-K250 PolarHBondContact O-N 3.47Å; V247-K250 PolarHBondContact O-N 3.06Å; V247-K250 VanDerWaalsContact O-N 3.09Å; R248-K250 VanDerWaalsContact C-N 3.35Å; K250-F252 PolarHBondContact O-N 2.92Å
251D98.8Very high98.9Very high65 Ų6549.2 Ų49.235%0.34824%0.235SC..  trans-77.588.9178.4-173.7-25.1000108.7A246 R249 P253 A254 F255A246-D251 HydrophobicContact CB-CB 4.46Å; A246-D251 PolarHBondContact O-N 2.74Å; R249-D251 HydrophobicContact CB-CB 4.33Å; R249-D251 PolarHBondContact O-N 2.81Å; D251-P253 VanDerWaalsContact OD1-CD 3.27Å; D251-P253 WeakPolarHBondContact OD1-CD 3.43Å; D251-A254 HydrophobicContact CB-CB 4.1Å; D251-A254 VanDerWaalsContact CG-CB 3.44Å; D251-A254 PolarHBondContact O-N 2.97Å; D251-A254 WeakPolarHBondContact OD1-CB 3.29Å; D251-A254 PolarHBondContact OD1-N 3.45Å; D251-F255 VanDerWaalsContact O-CB 3.24Å; D251-F255 WeakPolarHBondContact O-CB 3.4Å; D251-F255 PolarHBondContact O-N 3.41Å
252F98.9Very high98.9Very high9 Ų945.3 Ų45.34%0.03921%0.211CC..Hα-helixtrans-60.4-45.6-178-173.1-90.6000112.8W195 L198 K250 A254 F255 A256 T301 R302 F316 L318W195-F252 HydrophobicContact CH2-CB 4.26Å; W195-F252 HydrophobicContact CH2-CD2 4.42Å; W195-F252 HydrophobicContact CZ2-CB 3.87Å; W195-F252 HydrophobicContact CZ2-CD2 4.14Å; L198-F252 HydrophobicContact CD1-CD2 4.3Å; L198-F252 HydrophobicContact CD1-CE2 4.09Å; K250-F252 PolarHBondContact O-N 2.92Å; F252-A254 PolarHBondContact O-N 2.65Å; F252-F255 HydrophobicContact CD2-CD1 4.38Å; F252-F255 HydrophobicContact CE2-CD1 4.35Å; F252-F255 PolarHBondContact O-N 3.36Å; F252-A256 HydrophobicContact CD1-CB 4.31Å; F252-A256 HydrophobicContact CE1-CB 3.89Å; F252-A256 HydrophobicContact CZ-CB 4.2Å; F252-A256 WeakPolarHBondContact O-CB 3.46Å; F252-A256 PolarHBondContact O-N 2.96Å; F252-T301 WeakPolarHBondContact CD1-O 3.37Å; F252-T301 VanDerWaalsContact CE1-O 3.3Å; F252-T301 WeakPolarHBondContact CE1-O 3.44Å; F252-R302 VanDerWaalsContact CE1-O 3.26Å; F252-R302 WeakPolarHBondContact CE1-O 3.47Å; F252-R302 WeakPolarHBondContact CZ-O 3.35Å; F252-F316 WeakPolarHBondContact CZ-O 3.29Å; F252-L318 HydrophobicContact CB-CD1 4.2Å; F252-L318 HydrophobicContact CB-CD2 4.48Å; F252-L318 HydrophobicContact CB-CG 4.41Å; F252-L318 HydrophobicContact CD2-CD2 3.75Å; F252-L318 HydrophobicContact CD2-CG 3.88Å; F252-L318 HydrophobicContact CE2-CD2 4.39Å; F252-L318 HydrophobicContact CE2-CG 4.39Å; F252-L318 HydrophobicContact CG-CD1 4.29Å; F252-L318 HydrophobicContact CG-CD2 4.27Å; F252-L318 HydrophobicContact CG-CG 4.05Å
253P98.8Very high98.9Very high69 Ų6943.4 Ų43.445%0.44820%0.201SC..Hα-helixtrans-54.6-49.4175.1-28.536.3000113.7D251 A256 E257D251-P253 VanDerWaalsContact OD1-CD 3.27Å; D251-P253 WeakPolarHBondContact OD1-CD 3.43Å; P253-A256 PolarHBondContact O-N 3.1Å; P253-E257 WeakPolarHBondContact O-CB 3.27Å; P253-E257 PolarHBondContact O-N 3.37Å
254A98.9Very high98.9Very high29 Ų2946.5 Ų46.524%0.2422%0.218CC..Hα-helixtrans-64.9-44.5179.100000111.9A246 D251 F252 A256 E257 L258A246-A254 HydrophobicContact CB-CB 3.91Å; D251-A254 HydrophobicContact CB-CB 4.1Å; D251-A254 VanDerWaalsContact CG-CB 3.44Å; D251-A254 PolarHBondContact O-N 2.97Å; D251-A254 WeakPolarHBondContact OD1-CB 3.29Å; D251-A254 PolarHBondContact OD1-N 3.45Å; F252-A254 PolarHBondContact O-N 2.65Å; A254-A256 VanDerWaalsContact C-N 3.33Å; A254-A256 PolarHBondContact O-N 2.99Å; A254-E257 PolarHBondContact O-N 2.86Å; A254-L258 WeakPolarHBondContact O-CB 3.47Å; A254-L258 VanDerWaalsContact O-CG 3.3Å; A254-L258 WeakPolarHBondContact O-CG 3.49Å; A254-L258 PolarHBondContact O-N 3.22Å
255F98.9Very high98.9Very high0 Ų047.8 Ų47.80%022%0.223CC..Hα-helixtrans-57-46.3175169.2-90.5000111.6V22 V43 F170 W195 L198 M243 A246 V247 D251 F252 T259 F316V22-F255 HydrophobicContact CB-CE2 4.4Å; V22-F255 HydrophobicContact CG1-CE2 3.97Å; V22-F255 HydrophobicContact CG1-CZ 3.79Å; V22-F255 HydrophobicContact CG2-CE2 4.29Å; V43-F255 HydrophobicContact CG2-CZ 4.44Å; F170-F255 HydrophobicContact CE1-CE2 4.15Å; W195-F255 HydrophobicContact CH2-CB 4.06Å; W195-F255 HydrophobicContact CH2-CG 4.23Å; W195-F255 HydrophobicContact CZ3-CB 4.32Å; W195-F255 HydrophobicContact CZ3-CD2 4.23Å; W195-F255 HydrophobicContact CZ3-CG 4.19Å; L198-F255 HydrophobicContact CD1-CE1 4.39Å; M243-F255 HydrophobicContact CE-CD2 4.4Å; M243-F255 HydrophobicContact SD-CD2 3.46Å; M243-F255 WeakPolarHBondContact SD-CD2 3.46Å; M243-F255 HydrophobicContact SD-CE2 3.97Å; M243-F255 HydrophobicContact SD-CG 4.32Å; A246-F255 HydrophobicContact CB-CB 4.21Å; V247-F255 HydrophobicContact CG2-CD2 4.09Å; V247-F255 HydrophobicContact CG2-CE2 4.42Å; D251-F255 VanDerWaalsContact O-CB 3.24Å; D251-F255 WeakPolarHBondContact O-CB 3.4Å; D251-F255 PolarHBondContact O-N 3.41Å; F252-F255 HydrophobicContact CD2-CD1 4.38Å; F252-F255 HydrophobicContact CE2-CD1 4.35Å; F252-F255 PolarHBondContact O-N 3.36Å; F255-T259 VanDerWaalsContact O-CB 3.25Å; F255-T259 WeakPolarHBondContact O-CB 3.29Å; F255-T259 PolarHBondContact O-N 3.35Å; F255-T259 PolarHBondContact O-OG1 3.42Å; F255-F316 HydrophobicContact CE1-CB 3.75Å; F255-F316 AromaticContact CE1-CD1 3.97Å; F255-F316 HydrophobicContact CE1-CD1 3.97Å; F255-F316 HydrophobicContact CE1-CD2 4.5Å; F255-F316 AromaticContact CE1-CG 3.83Å; F255-F316 HydrophobicContact CE1-CG 3.83Å; F255-F316 HydrophobicContact CZ-CB 4.45Å; F255-F316 AromaticContact CZ-CD1 3.82Å; F255-F316 HydrophobicContact CZ-CD1 3.82Å; F255-F316 HydrophobicContact CZ-CE1 4.2Å; F255-F316 HydrophobicContact CZ-CG 4.06Å
256A98.9Very high98.9Very high0 Ų044.5 Ų44.50%021%0.208CC..Hα-helixtrans-66.3-46.6-177.200000111.8F252 P253 A254 T259 M260 T301 A304F252-A256 HydrophobicContact CD1-CB 4.31Å; F252-A256 HydrophobicContact CE1-CB 3.89Å; F252-A256 HydrophobicContact CZ-CB 4.2Å; F252-A256 WeakPolarHBondContact O-CB 3.46Å; F252-A256 PolarHBondContact O-N 2.96Å; P253-A256 PolarHBondContact O-N 3.1Å; A254-A256 VanDerWaalsContact C-N 3.33Å; A254-A256 PolarHBondContact O-N 2.99Å; A256-T259 PolarHBondContact O-N 2.98Å; A256-M260 HydrophobicContact CB-CE 4.49Å; A256-M260 WeakPolarHBondContact O-CE 3.33Å; A256-M260 WeakPolarHBondContact O-CG 3.44Å; A256-M260 PolarHBondContact O-N 3.3Å; A256-T301 HydrophobicContact CB-CG2 3.39Å; A256-A304 VanDerWaalsContact CA-CB 3.5Å; A256-A304 HydrophobicContact CB-CB 3.53Å
257E98.8Very high98.9Very high94 Ų9445.1 Ų45.144%0.43921%0.21SC..Hα-helixtrans-62.2-47.5178.8-172.2-178164.300111.6P253 A254 T259 M260 K261P253-E257 WeakPolarHBondContact O-CB 3.27Å; P253-E257 PolarHBondContact O-N 3.37Å; A254-E257 PolarHBondContact O-N 2.86Å; E257-T259 PolarHBondContact O-N 2.96Å; E257-M260 PolarHBondContact O-N 3.38Å; E257-K261 HydrophobicContact CG-CD 4.04Å; E257-K261 WeakPolarHBondContact O-CB 3.45Å; E257-K261 WeakPolarHBondContact O-CG 3.24Å; E257-K261 PolarHBondContact O-N 3.28Å; E257-K261 WeakPolarHBondContact OE1-CE 3.4Å; E257-K261 IonicContact OE1-NZ 2.7Å; E257-K261 PolarHBondContact OE1-NZ 3.1Å
258L98.9Very high98.9Very high24 Ų2447.2 Ų47.213%0.12623%0.227CC..Hα-helixtrans-61.8-43.3177.1-71.7167.9000111.6R239 D242 M243 A254 M260 K261 D262R239-L258 HydrophobicContact CG-CD2 4.22Å; D242-L258 HydrophobicContact CB-CD1 3.86Å; D242-L258 HydrophobicContact CB-CD2 4.38Å; M243-L258 HydrophobicContact CB-CD1 4.21Å; M243-L258 HydrophobicContact CE-CB 3.42Å; M243-L258 VanDerWaalsContact CE-CB 3.42Å; M243-L258 HydrophobicContact CE-CD1 4.35Å; A254-L258 WeakPolarHBondContact O-CB 3.47Å; A254-L258 VanDerWaalsContact O-CG 3.3Å; A254-L258 WeakPolarHBondContact O-CG 3.49Å; A254-L258 PolarHBondContact O-N 3.22Å; L258-M260 PolarHBondContact O-N 3.09Å; L258-K261 PolarHBondContact O-N 3.08Å; L258-D262 VanDerWaalsContact O-CB 3.3Å; L258-D262 WeakPolarHBondContact O-CB 3.46Å; L258-D262 PolarHBondContact O-N 3.12Å
259T98.9Very high98.9Very high0 Ų040.3 Ų40.30%020%0.201CC..Hα-helixtrans-59.8-47.3178.5-63.50000111.6V22 F255 A256 E257 S263 F316V22-T259 HydrophobicContact CB-CG2 4.2Å; V22-T259 HydrophobicContact CG1-CG2 4.03Å; F255-T259 VanDerWaalsContact O-CB 3.25Å; F255-T259 WeakPolarHBondContact O-CB 3.29Å; F255-T259 PolarHBondContact O-N 3.35Å; F255-T259 PolarHBondContact O-OG1 3.42Å; A256-T259 PolarHBondContact O-N 2.98Å; E257-T259 PolarHBondContact O-N 2.96Å; T259-S263 WeakPolarHBondContact O-CB 3.4Å; T259-S263 PolarHBondContact O-N 3.01Å; T259-F316 HydrophobicContact CG2-CD2 4.04Å; T259-F316 HydrophobicContact CG2-CE2 4.05Å
260M98.9Very high98.8Very high14 Ų1432 Ų327%0.06917%0.17CC..Hα-helixtrans-67-44.8178.8-71.5-175.1-71.700111.6A256 E257 L258 D262 S263 N264 V291 T301 A304 Y305A256-M260 HydrophobicContact CB-CE 4.49Å; A256-M260 WeakPolarHBondContact O-CE 3.33Å; A256-M260 WeakPolarHBondContact O-CG 3.44Å; A256-M260 PolarHBondContact O-N 3.3Å; E257-M260 PolarHBondContact O-N 3.38Å; L258-M260 PolarHBondContact O-N 3.09Å; M260-D262 VanDerWaalsContact C-N 3.34Å; M260-D262 PolarHBondContact O-N 3.34Å; M260-S263 PolarHBondContact O-N 3.34Å; M260-N264 WeakPolarHBondContact O-CB 3.4Å; M260-N264 PolarHBondContact O-N 3.05Å; M260-N264 PolarHBondContact O-ND2 2.77Å; M260-N264 PolarHBondContact O-OD1 3.05Å; M260-V291 HydrophobicContact SD-CG1 3.95Å; M260-T301 HydrophobicContact CE-CG2 4.25Å; M260-A304 HydrophobicContact CG-CB 4.16Å; M260-Y305 HydrophobicContact CB-CE1 4.44Å; M260-Y305 HydrophobicContact CB-CE2 4.09Å; M260-Y305 HydrophobicContact CG-CD1 3.96Å; M260-Y305 HydrophobicContact CG-CD2 4.09Å; M260-Y305 HydrophobicContact CG-CE1 3.88Å; M260-Y305 HydrophobicContact CG-CE2 4.03Å; M260-Y305 HydrophobicContact CG-CG 4.04Å; M260-Y305 WeakPolarHBondContact CG-O 3.47Å; M260-Y305 HydrophobicContact SD-CD1 3.74Å; M260-Y305 HydrophobicContact SD-CE1 3.52Å; M260-Y305 VanDerWaalsContact SD-CE1 3.52Å; M260-Y305 HydrophobicContact SD-CG 4.41Å
261K98.9Very high98.8Very high101 Ų10132.6 Ų32.644%0.43918%0.176SC..Hα-helixtrans-61.6-41.2178-78.6179.6171.2176.50112.1E257 L258 Q265E257-K261 HydrophobicContact CG-CD 4.04Å; E257-K261 WeakPolarHBondContact O-CB 3.45Å; E257-K261 WeakPolarHBondContact O-CG 3.24Å; E257-K261 PolarHBondContact O-N 3.28Å; E257-K261 WeakPolarHBondContact OE1-CE 3.4Å; E257-K261 IonicContact OE1-NZ 2.7Å; E257-K261 PolarHBondContact OE1-NZ 3.1Å; L258-K261 PolarHBondContact O-N 3.08Å; K261-Q265 WeakPolarHBondContact O-CB 3.43Å; K261-Q265 PolarHBondContact O-N 3.47Å
262D98.9Very high98.8Very high0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-74.3-38.4-179-155.770.8000112.7I23 K24 R231 R239 L258 M260 Q265 F266I23-D262 WeakPolarHBondContact CA-OD2 3.1Å; I23-D262 HydrophobicContact CD1-CB 3.98Å; K24-D262 WeakPolarHBondContact CG-OD2 3.17Å; K24-D262 PolarHBondContact N-OD2 3.21Å; R231-D262 IonicContact CZ-OD1 2.75Å; R231-D262 IonicContact CZ-OD2 3.71Å; R231-D262 IonicContact NH1-OD1 3.33Å; R231-D262 PolarHBondContact NH1-OD1 3.25Å; R231-D262 IonicContact NH1-OD2 3.46Å; R231-D262 VanDerWaalsContact NH2-CG 3.29Å; R231-D262 IonicContact NH2-OD1 2.75Å; R231-D262 PolarHBondContact NH2-OD1 3.18Å; R231-D262 VanDerWaalsContact NH2-OD1 3.13Å; R231-D262 IonicContact NH2-OD2 3.05Å; R231-D262 PolarHBondContact NH2-OD2 3.3Å; R239-D262 VanDerWaalsContact CD-OD1 3.31Å; R239-D262 WeakPolarHBondContact CD-OD1 3.4Å; R239-D262 IonicContact CZ-OD1 2.92Å; R239-D262 IonicContact NE-OD1 3.74Å; R239-D262 IonicContact NH1-OD1 2.58Å; R239-D262 PolarHBondContact NH1-OD1 3.17Å; L258-D262 VanDerWaalsContact O-CB 3.3Å; L258-D262 WeakPolarHBondContact O-CB 3.46Å; L258-D262 PolarHBondContact O-N 3.12Å; M260-D262 VanDerWaalsContact C-N 3.34Å; M260-D262 PolarHBondContact O-N 3.34Å; D262-Q265 PolarHBondContact O-N 3.09Å; D262-F266 WeakPolarHBondContact O-CB 3.45Å; D262-F266 PolarHBondContact O-N 3.38Å
263S98.9Very high98.8Very high0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-57.5-50.9168.8-176.20000111.5T259 M260 Q265 F266 H267 F307T259-S263 WeakPolarHBondContact O-CB 3.4Å; T259-S263 PolarHBondContact O-N 3.01Å; M260-S263 PolarHBondContact O-N 3.34Å; S263-Q265 PolarHBondContact O-N 3.46Å; S263-F266 PolarHBondContact O-N 3.45Å; S263-H267 PolarHBondContact O-CD2 3.27Å; S263-H267 PolarHBondContact O-N 3.1Å; S263-H267 VanDerWaalsContact O-N 3.14Å; S263-F307 PolarHBondContact OG-N 3.05Å
264N98.9Very high98.8Very high65 Ų6535.6 Ų35.635%0.34819%0.185SC..Hα-helixtrans-60-46-179.9-70.3-15.7000111.6M260 H267 A268 Y305M260-N264 WeakPolarHBondContact O-CB 3.4Å; M260-N264 PolarHBondContact O-N 3.05Å; M260-N264 PolarHBondContact O-ND2 2.77Å; M260-N264 PolarHBondContact O-OD1 3.05Å; N264-H267 PolarHBondContact O-N 3Å; N264-A268 PolarHBondContact O-N 3.31Å; N264-Y305 PolarHBondContact ND2-OH 2.93Å; N264-Y305 VanDerWaalsContact ND2-OH 3.11Å; N264-Y305 VanDerWaalsContact OD1-CE2 3.28Å; N264-Y305 WeakPolarHBondContact OD1-CE2 3.37Å; N264-Y305 PolarHBondContact OD1-OH 3.33Å; N264-Y305 VanDerWaalsContact OD1-OH 3.11Å
265Q98.9Very high98.7Very high49 Ų4938.5 Ų38.523%0.22920%0.201CC..Hα-helixtrans-69.4-34.6-178.1-167.5-17753.600112.3K261 D262 S263 A268 T269K261-Q265 WeakPolarHBondContact O-CB 3.43Å; K261-Q265 PolarHBondContact O-N 3.47Å; D262-Q265 PolarHBondContact O-N 3.09Å; S263-Q265 PolarHBondContact O-N 3.46Å; Q265-A268 WeakPolarHBondContact O-CB 3.08Å; Q265-A268 PolarHBondContact O-N 2.74Å; Q265-T269 WeakPolarHBondContact O-CG2 3.1Å; Q265-T269 PolarHBondContact O-N 2.8Å
266F98.8Very high98.6Very high6 Ų641.2 Ų41.23%0.02622%0.218CC..Hα-helixtrans-55.8-51.8169.2157.8-123.1000111.2K24 W26 D262 S263 A268 T269 C270 Y279K24-F266 HydrophobicContact CB-CB 3.99Å; K24-F266 HydrophobicContact CB-CG 4.15Å; K24-F266 HydrophobicContact CD-CD1 4.47Å; K24-F266 HydrophobicContact CG-CB 3.71Å; K24-F266 HydrophobicContact CG-CD1 4.06Å; K24-F266 HydrophobicContact CG-CG 3.97Å; W26-F266 HydrophobicContact CB-CD2 3.92Å; W26-F266 HydrophobicContact CB-CE2 4.1Å; W26-F266 HydrophobicContact CD2-CD2 4Å; W26-F266 AromaticContact CD2-CE2 3.3Å; W26-F266 HydrophobicContact CD2-CE2 3.3Å; W26-F266 HydrophobicContact CD2-CZ 4.24Å; W26-F266 AromaticContact CE2-CE2 3.7Å; W26-F266 HydrophobicContact CE3-CD2 4.37Å; W26-F266 AromaticContact CE3-CE2 3.42Å; W26-F266 HydrophobicContact CE3-CE2 3.42Å; W26-F266 VanDerWaalsContact CE3-CE2 3.42Å; W26-F266 AromaticContact CE3-CZ 3.93Å; W26-F266 HydrophobicContact CE3-CZ 3.93Å; W26-F266 AromaticContact CG-CD2 3.78Å; W26-F266 HydrophobicContact CG-CD2 3.78Å; W26-F266 AromaticContact CG-CE2 3.61Å; W26-F266 HydrophobicContact CG-CE2 3.61Å; W26-F266 HydrophobicContact CH2-CE2 4.31Å; W26-F266 HydrophobicContact CH2-CZ 4.49Å; W26-F266 HydrophobicContact CZ2-CE2 4.2Å; W26-F266 AromaticContact CZ3-CE2 3.94Å; W26-F266 HydrophobicContact CZ3-CE2 3.94Å; W26-F266 HydrophobicContact CZ3-CZ 4.07Å; D262-F266 WeakPolarHBondContact O-CB 3.45Å; D262-F266 PolarHBondContact O-N 3.38Å; S263-F266 PolarHBondContact O-N 3.45Å; F266-A268 VanDerWaalsContact C-N 3.26Å; F266-A268 PolarHBondContact O-N 3.45Å; F266-T269 PolarHBondContact O-N 2.86Å; F266-T269 VanDerWaalsContact O-N 3.11Å; F266-T269 PolarHBondContact O-OG1 3.24Å; F266-C270 WeakPolarHBondContact CE2-SG 3.03Å; F266-C270 PolarHBondContact O-N 3.49Å; F266-C270 VanDerWaalsContact O-N 3.09Å; F266-C270 PolarHBondContact O-SG 3.34Å; F266-Y279 HydrophobicContact CZ-CD2 4.21Å; F266-Y279 HydrophobicContact CZ-CE2 4.27Å
267H98.7Very high98.6Very high18 Ų1841.6 Ų41.68%0.08322%0.22CC..Hα-helixtrans-66-27176.9-72.5-72.3000113.2S263 N264 C270 L271 L280 F307 D308S263-H267 PolarHBondContact O-CD2 3.27Å; S263-H267 PolarHBondContact O-N 3.1Å; S263-H267 VanDerWaalsContact O-N 3.14Å; N264-H267 PolarHBondContact O-N 3Å; H267-C270 WeakPolarHBondContact O-CB 3.17Å; H267-C270 PolarHBondContact O-N 3.5Å; H267-L271 PolarHBondContact O-N 2.93Å; H267-L280 HydrophobicContact CB-CD1 4.12Å; H267-L280 HydrophobicContact CB-CG 4.46Å; H267-F307 VanDerWaalsContact NE2-CB 3.28Å; H267-F307 WeakPolarHBondContact NE2-CB 3.34Å; H267-F307 PolarHBondContact NE2-O 3.36Å; H267-F307 VanDerWaalsContact NE2-O 3.13Å; H267-D308 PolarHBondContact CE1-O 3.26Å; H267-D308 PolarHBondContact NE2-O 2.97Å
268A98.8Very high98.4Very high43 Ų4343.6 Ų43.636%0.35523%0.228SC..Hα-helixtrans-66.1-40.2171.200000112N264 Q265 F266 C270 L271 D272N264-A268 PolarHBondContact O-N 3.31Å; Q265-A268 WeakPolarHBondContact O-CB 3.08Å; Q265-A268 PolarHBondContact O-N 2.74Å; F266-A268 VanDerWaalsContact C-N 3.26Å; F266-A268 PolarHBondContact O-N 3.45Å; A268-C270 VanDerWaalsContact C-N 3.32Å; A268-C270 PolarHBondContact O-N 3.45Å; A268-L271 WeakPolarHBondContact O-CB 3.36Å; A268-L271 PolarHBondContact O-N 2.94Å; A268-D272 WeakPolarHBondContact O-CB 3.13Å; A268-D272 PolarHBondContact O-N 3.39Å
269T98.8Very high98.2Very high2 Ų243 Ų431%0.01222%0.224CC..Hα-helixtrans-68.2-31.9174.261.30000112.8L227 L228 R231 Q265 F266 L271 D272 T273L227-T269 HydrophobicContact CB-CG2 4.37Å; L228-T269 HydrophobicContact CB-CG2 4.12Å; L228-T269 HydrophobicContact CD1-CG2 4.11Å; R231-T269 HydrophobicContact CB-CG2 4.4Å; Q265-T269 WeakPolarHBondContact O-CG2 3.1Å; Q265-T269 PolarHBondContact O-N 2.8Å; F266-T269 PolarHBondContact O-N 2.86Å; F266-T269 VanDerWaalsContact O-N 3.11Å; F266-T269 PolarHBondContact O-OG1 3.24Å; T269-L271 VanDerWaalsContact C-N 3.34Å; T269-D272 PolarHBondContact O-N 2.88Å; T269-T273 PolarHBondContact O-N 3.39Å; T269-T273 PolarHBondContact O-OG1 2.98Å
270C98.4Very high98Very high0 Ų044.9 Ų44.90%023%0.234CC..Hα-helixtrans-62.6-41.1169.3-67.70000111.6F266 H267 A268 T273 I277F266-C270 WeakPolarHBondContact CE2-SG 3.03Å; F266-C270 PolarHBondContact O-N 3.49Å; F266-C270 VanDerWaalsContact O-N 3.09Å; F266-C270 PolarHBondContact O-SG 3.34Å; H267-C270 WeakPolarHBondContact O-CB 3.17Å; H267-C270 PolarHBondContact O-N 3.5Å; A268-C270 VanDerWaalsContact C-N 3.32Å; A268-C270 PolarHBondContact O-N 3.45Å; C270-T273 VanDerWaalsContact O-CB 3.24Å; C270-T273 WeakPolarHBondContact O-CB 3.25Å; C270-T273 PolarHBondContact O-N 2.87Å; C270-T273 PolarHBondContact O-OG1 3.43Å; C270-I277 CarbonylContact C-O 3.46Å; C270-I277 HydrophobicContact CB-CB 3.97Å; C270-I277 HydrophobicContact CB-CG2 4.32Å; C270-I277 WeakPolarHBondContact CB-O 3.25Å; C270-I277 PolarHBondContact O-N 3.49Å
271L98.4Very high97.8Very high96 Ų9646.9 Ų46.950%0.50325%0.245SC..Hα-helixtrans-69.4-33.2177.1-174.862.1000112.9H267 A268 T269 T273 P276 F278H267-L271 PolarHBondContact O-N 2.93Å; A268-L271 WeakPolarHBondContact O-CB 3.36Å; A268-L271 PolarHBondContact O-N 2.94Å; T269-L271 VanDerWaalsContact C-N 3.34Å; L271-T273 PolarHBondContact O-N 3.46Å; L271-P276 HydrophobicContact CD1-CB 4.33Å; L271-F278 HydrophobicContact CD1-CD1 4.21Å; L271-F278 HydrophobicContact CD1-CE1 3.33Å; L271-F278 HydrophobicContact CD1-CZ 3.58Å
272D98.8Very high97.6Very high59 Ų5945.9 Ų45.932%0.31625%0.251SS..THydrogen-bonded Turntrans-76.5-7.6175.2-172.664.5000113.3S225 L226 L227 A268 T269S225-D272 WeakPolarHBondContact CA-OD2 3.47Å; S225-D272 VanDerWaalsContact CB-OD2 3.29Å; S225-D272 WeakPolarHBondContact CB-OD2 3.49Å; S225-D272 PolarHBondContact OG-OD2 3.48Å; L226-D272 PolarHBondContact N-OD2 2.89Å; L227-D272 HydrophobicContact CB-CB 4.34Å; L227-D272 WeakPolarHBondContact CB-OD2 3.29Å; L227-D272 HydrophobicContact CD1-CB 3.96Å; L227-D272 HydrophobicContact CG-CB 4.26Å; L227-D272 WeakPolarHBondContact CG-OD2 3.45Å; L227-D272 PolarHBondContact N-OD2 3.5Å; A268-D272 WeakPolarHBondContact O-CB 3.13Å; A268-D272 PolarHBondContact O-N 3.39Å; T269-D272 PolarHBondContact O-N 2.88Å
273T98.8Very high97.5Very high4 Ų446.6 Ų46.63%0.02526%0.255CS..SBendtrans-71151.9175.2-57.50000110.9T220 S221 T224 T269 C270 L271 P275 P276 I277T220-T273 HydrophobicContact CG2-CG2 3.56Å; S221-T273 WeakPolarHBondContact CA-OG1 3.3Å; S221-T273 VanDerWaalsContact CB-OG1 3.28Å; S221-T273 WeakPolarHBondContact CB-OG1 3.31Å; S221-T273 PolarHBondContact OG-OG1 3.47Å; T224-T273 WeakPolarHBondContact OG1-CA 3.34Å; T224-T273 WeakPolarHBondContact OG1-CG2 3.28Å; T269-T273 PolarHBondContact O-N 3.39Å; T269-T273 PolarHBondContact O-OG1 2.98Å; C270-T273 VanDerWaalsContact O-CB 3.24Å; C270-T273 WeakPolarHBondContact O-CB 3.25Å; C270-T273 PolarHBondContact O-N 2.87Å; C270-T273 PolarHBondContact O-OG1 3.43Å; L271-T273 PolarHBondContact O-N 3.46Å; T273-P275 CarbonylContact C-O 3.51Å; T273-P275 CarbonylContact O-C 3.49Å; T273-P276 WeakPolarHBondContact O-CA 3.3Å; T273-I277 HydrophobicContact CG2-CD1 3.89Å; T273-I277 HydrophobicContact CG2-CG1 4.12Å
274H97.6Very high97.4Very high144 Ų14446.6 Ų46.667%0.66726%0.255SS*.SBendtrans-121.3117.3175.3-17078.8000111.8T220 T224T220-H274 WeakPolarHBondContact CG2-O 3.27Å; T224-H274 HydrophobicContact CG2-CB 4.36Å; T224-H274 PolarHBondContact OG1-N 3.09Å
275P97.4Very high97.4Very high89 Ų8948.6 Ų48.658%0.57826%0.262SS*.SBendcis-64.1155.9-8.529.1-35.7000112.5T273T273-P275 CarbonylContact C-O 3.51Å; T273-P275 CarbonylContact O-C 3.49Å
276P97.8Very high97.4Very high57 Ų5749.3 Ų49.337%0.3727%0.266SS..  trans-65.7144.3-176.326.8-35.8000112.3L271 T273 F278L271-P276 HydrophobicContact CD1-CB 4.33Å; T273-P276 WeakPolarHBondContact O-CA 3.3Å; P276-F278 HydrophobicContact CB-CE2 3.78Å; P276-F278 HydrophobicContact CB-CZ 4.06Å; P276-F278 HydrophobicContact CG-CE2 3.71Å; P276-F278 HydrophobicContact CG-CZ 4.18Å
277I97.6Very high97.4Very high8 Ų849 Ų494%0.04126%0.264CS..  trans-105.7119.6179.4-57.7175.2000109.1W26 I212 G217 C270 T273 Y279W26-I277 HydrophobicContact CZ2-CD1 4.4Å; I212-I277 HydrophobicContact CD1-CB 4.44Å; I212-I277 HydrophobicContact CD1-CG1 4.06Å; I212-I277 HydrophobicContact CD1-CG2 4.19Å; I212-I277 HydrophobicContact CG2-CD1 4.45Å; G217-I277 VanDerWaalsContact CA-CD1 3.46Å; G217-I277 WeakPolarHBondContact O-CD1 3.47Å; C270-I277 CarbonylContact C-O 3.46Å; C270-I277 HydrophobicContact CB-CB 3.97Å; C270-I277 HydrophobicContact CB-CG2 4.32Å; C270-I277 WeakPolarHBondContact CB-O 3.25Å; C270-I277 PolarHBondContact O-N 3.49Å; T273-I277 HydrophobicContact CG2-CD1 3.89Å; T273-I277 HydrophobicContact CG2-CG1 4.12Å; I277-Y279 HydrophobicContact CG2-CD2 3.92Å; I277-Y279 HydrophobicContact CG2-CE1 4.15Å; I277-Y279 HydrophobicContact CG2-CE2 3.52Å; I277-Y279 HydrophobicContact CG2-CG 4.4Å
278F95.7Very high97.4Very high136 Ų13649.3 Ų49.360%0.59627%0.266SS*.  trans-109108.6176.3-61.7-84.9000110.7L271 P276L271-F278 HydrophobicContact CD1-CD1 4.21Å; L271-F278 HydrophobicContact CD1-CE1 3.33Å; L271-F278 HydrophobicContact CD1-CZ 3.58Å; P276-F278 HydrophobicContact CB-CE2 3.78Å; P276-F278 HydrophobicContact CB-CZ 4.06Å; P276-F278 HydrophobicContact CG-CE2 3.71Å; P276-F278 HydrophobicContact CG-CZ 4.18Å
279Y94.1Very high97.3Very high11 Ų1151.3 Ų51.34%0.04327%0.268CS..  trans-99.1-35.2172-73.7-51.1000113.1W26 I212 F266 I277 A309 G310 P311W26-Y279 AromaticContact CH2-CE2 3.72Å; W26-Y279 HydrophobicContact CH2-CE2 3.72Å; W26-Y279 WeakPolarHBondContact CH2-OH 3.29Å; W26-Y279 HydrophobicContact CZ2-CE2 4.16Å; W26-Y279 HydrophobicContact CZ3-CE2 4.46Å; I212-Y279 WeakPolarHBondContact O-CE1 3.35Å; I212-Y279 PolarHBondContact O-OH 3.07Å; I212-Y279 VanDerWaalsContact O-OH 3.05Å; F266-Y279 HydrophobicContact CZ-CD2 4.21Å; F266-Y279 HydrophobicContact CZ-CE2 4.27Å; I277-Y279 HydrophobicContact CG2-CD2 3.92Å; I277-Y279 HydrophobicContact CG2-CE1 4.15Å; I277-Y279 HydrophobicContact CG2-CE2 3.52Å; I277-Y279 HydrophobicContact CG2-CG 4.4Å; Y279-A309 VanDerWaalsContact CD1-C 3.42Å; Y279-A309 HydrophobicContact CD1-CB 4.23Å; Y279-A309 HydrophobicContact CD2-CB 4.15Å; Y279-A309 HydrophobicContact CE1-CB 3.81Å; Y279-A309 HydrophobicContact CE2-CB 3.68Å; Y279-A309 HydrophobicContact CG-CB 4.4Å; Y279-G310 CarbonylContact O-C 3.49Å; Y279-P311 WeakPolarHBondContact O-CA 3.28Å
280L95.3Very high97.3Very high40 Ų4051.2 Ų51.221%0.20927%0.267CS..  trans-81.5136.7179.3-54.4-173.3000110.1H267 I288 F307H267-L280 HydrophobicContact CB-CD1 4.12Å; H267-L280 HydrophobicContact CB-CG 4.46Å; L280-I288 HydrophobicContact CD1-CD1 4.23Å; L280-F307 HydrophobicContact CD2-CB 3.55Å; L280-F307 HydrophobicContact CD2-CD1 3.52Å; L280-F307 HydrophobicContact CD2-CD2 4.13Å; L280-F307 HydrophobicContact CD2-CE1 4.19Å; L280-F307 HydrophobicContact CD2-CG 3.48Å; L280-F307 VanDerWaalsContact CD2-CG 3.48Å
281N94.4Very high97.4Very high56 Ų5651.2 Ų51.230%0.29927%0.267SS..  trans-111.4-174.6173.97111.1000111V283 S284 Q285 P311N281-V283 VanDerWaalsContact C-N 3.3Å; N281-V283 PolarHBondContact O-N 2.96Å; N281-V283 WeakPolarHBondContact OD1-CB 3.35Å; N281-V283 PolarHBondContact OD1-N 3.39Å; N281-S284 PolarHBondContact N-OG 3.48Å; N281-S284 WeakPolarHBondContact O-CB 3.35Å; N281-S284 PolarHBondContact O-N 2.85Å; N281-S284 VanDerWaalsContact O-N 3.17Å; N281-S284 PolarHBondContact OD1-N 3.11Å; N281-S284 PolarHBondContact OD1-OG 2.93Å; N281-S284 VanDerWaalsContact OD1-OG 3.13Å; N281-Q285 WeakPolarHBondContact O-CG 3.15Å; N281-Q285 PolarHBondContact O-N 2.96Å; N281-Q285 VanDerWaalsContact O-N 3.08Å; N281-P311 HydrophobicContact CB-CB 4.48Å
282S95.6Very high97.4Very high81 Ų8150.7 Ų50.757%0.56626%0.262SS*.Hα-helixtrans-58.7-38.717954.40000112.8Q285 Q286S282-Q285 WeakPolarHBondContact O-CB 3.3Å; S282-Q285 PolarHBondContact O-N 2.88Å; S282-Q286 WeakPolarHBondContact O-CG 3.18Å; S282-Q286 PolarHBondContact O-N 3.34Å
283V96.5Very high97.4Very high15 Ų1552.7 Ų52.79%0.09127%0.266CS..Hα-helixtrans-65.3-42.8176179.90000111V205 N281 Q285 Q286 I287 F333 V366 G369V205-V283 HydrophobicContact CB-CG1 4.36Å; V205-V283 HydrophobicContact CG1-CB 3.68Å; V205-V283 HydrophobicContact CG1-CG1 3.76Å; V205-V283 HydrophobicContact CG1-CG2 4.2Å; V205-V283 HydrophobicContact CG2-CB 4.43Å; V205-V283 HydrophobicContact CG2-CG1 3.71Å; N281-V283 VanDerWaalsContact C-N 3.3Å; N281-V283 PolarHBondContact O-N 2.96Å; N281-V283 WeakPolarHBondContact OD1-CB 3.35Å; N281-V283 PolarHBondContact OD1-N 3.39Å; V283-Q285 VanDerWaalsContact C-N 3.26Å; V283-Q285 PolarHBondContact O-N 3.22Å; V283-Q286 PolarHBondContact O-N 3.49Å; V283-Q286 VanDerWaalsContact O-N 3.14Å; V283-I287 HydrophobicContact CG1-CD1 4.04Å; V283-I287 HydrophobicContact CG1-CG1 4.47Å; V283-I287 WeakPolarHBondContact O-CG1 3.35Å; V283-I287 PolarHBondContact O-N 2.92Å; V283-F333 HydrophobicContact CG1-CD1 4.32Å; V283-F333 HydrophobicContact CG1-CE1 3.91Å; V283-V366 HydrophobicContact CG2-CG1 4.42Å; V283-G369 WeakPolarHBondContact CG1-O 3.26Å
284S97Very high97.4Very high0 Ų052.5 Ų52.50%026%0.264CS..Hα-helixtrans-55.9-42.8174.4-48.90000111.4N281 I287 I288 P311N281-S284 PolarHBondContact N-OG 3.48Å; N281-S284 WeakPolarHBondContact O-CB 3.35Å; N281-S284 PolarHBondContact O-N 2.85Å; N281-S284 VanDerWaalsContact O-N 3.17Å; N281-S284 PolarHBondContact OD1-N 3.11Å; N281-S284 PolarHBondContact OD1-OG 2.93Å; N281-S284 VanDerWaalsContact OD1-OG 3.13Å; S284-I287 PolarHBondContact O-N 2.99Å; S284-I288 WeakPolarHBondContact O-CG1 3.42Å; S284-I288 PolarHBondContact O-N 3.4Å; S284-P311 WeakPolarHBondContact OG-CA 3.36Å; S284-P311 WeakPolarHBondContact OG-CB 3.31Å; S284-P311 PolarHBondContact OG-O 2.93Å
285Q97.8Very high97.4Very high107 Ų10746.3 Ų46.350%0.524%0.236SC..Hα-helixtrans-64.4-42.3176.3-65.9173.24.200112.2N281 S282 V283 I287 I288 H289N281-Q285 WeakPolarHBondContact O-CG 3.15Å; N281-Q285 PolarHBondContact O-N 2.96Å; N281-Q285 VanDerWaalsContact O-N 3.08Å; S282-Q285 WeakPolarHBondContact O-CB 3.3Å; S282-Q285 PolarHBondContact O-N 2.88Å; V283-Q285 VanDerWaalsContact C-N 3.26Å; V283-Q285 PolarHBondContact O-N 3.22Å; Q285-I287 VanDerWaalsContact C-N 3.32Å; Q285-I287 PolarHBondContact O-N 3.48Å; Q285-I288 WeakPolarHBondContact O-CB 3.47Å; Q285-I288 PolarHBondContact O-N 2.63Å; Q285-H289 PolarHBondContact O-CD2 3.08Å; Q285-H289 PolarHBondContact O-N 3.18Å
286Q98.3Very high97.5Very high64 Ų6450.7 Ų50.730%0.29925%0.246SC..Hα-helixtrans-62.8-38.1175.8-66.8-63.4-12.800112.2S282 V283 H289 L290 F333 V366S282-Q286 WeakPolarHBondContact O-CG 3.18Å; S282-Q286 PolarHBondContact O-N 3.34Å; V283-Q286 PolarHBondContact O-N 3.49Å; V283-Q286 VanDerWaalsContact O-N 3.14Å; Q286-H289 PolarHBondContact O-N 2.93Å; Q286-L290 WeakPolarHBondContact O-CB 3.49Å; Q286-L290 PolarHBondContact O-N 2.89Å; Q286-F333 HydrophobicContact CB-CE1 3.97Å; Q286-F333 HydrophobicContact CB-CZ 3.71Å; Q286-V366 HydrophobicContact CG-CG2 4.28Å
287I98.7Very high97.5Very high0 Ų051.5 Ų51.50%024%0.242CC..Hα-helixtrans-64.3-42.1174.1-66.6165.9000110.9L203 V205 V283 S284 Q285 H289 L290 V291 F307 A313 I315 F333 I370L203-I287 HydrophobicContact CB-CD1 4.34Å; L203-I287 HydrophobicContact CD1-CD1 4.04Å; L203-I287 HydrophobicContact CD1-CG1 4.29Å; L203-I287 HydrophobicContact CD1-CG2 3.98Å; V205-I287 HydrophobicContact CG2-CD1 3.75Å; V283-I287 HydrophobicContact CG1-CD1 4.04Å; V283-I287 HydrophobicContact CG1-CG1 4.47Å; V283-I287 WeakPolarHBondContact O-CG1 3.35Å; V283-I287 PolarHBondContact O-N 2.92Å; S284-I287 PolarHBondContact O-N 2.99Å; Q285-I287 VanDerWaalsContact C-N 3.32Å; Q285-I287 PolarHBondContact O-N 3.48Å; I287-H289 VanDerWaalsContact C-N 3.34Å; I287-H289 PolarHBondContact O-N 2.86Å; I287-L290 WeakPolarHBondContact O-CB 3.43Å; I287-L290 PolarHBondContact O-N 2.98Å; I287-V291 WeakPolarHBondContact O-CG2 3.25Å; I287-V291 PolarHBondContact O-N 3.25Å; I287-F307 HydrophobicContact CG2-CZ 4.4Å; I287-A313 HydrophobicContact CD1-CB 3.89Å; I287-A313 HydrophobicContact CG2-CB 3.77Å; I287-I315 HydrophobicContact CG2-CD1 4Å; I287-F333 HydrophobicContact CG1-CE1 4.29Å; I287-F333 HydrophobicContact CG1-CE2 4.02Å; I287-F333 HydrophobicContact CG1-CZ 3.7Å; I287-I370 HydrophobicContact CD1-CD1 4.2Å; I287-I370 HydrophobicContact CD1-CG1 4.41Å
288I98.8Very high97.5Very high24 Ų2452.2 Ų52.212%0.12325%0.248CC..Hα-helixtrans-58.5-47.2174.6-71.7169.5000110.6L280 S284 Q285 L290 V291 H292 Y305 F307L280-I288 HydrophobicContact CD1-CD1 4.23Å; S284-I288 WeakPolarHBondContact O-CG1 3.42Å; S284-I288 PolarHBondContact O-N 3.4Å; Q285-I288 WeakPolarHBondContact O-CB 3.47Å; Q285-I288 PolarHBondContact O-N 2.63Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 2.99Å; I288-V291 PolarHBondContact O-N 2.69Å; I288-H292 PolarHBondContact O-CD2 2.75Å; I288-H292 VanDerWaalsContact O-CD2 3.22Å; I288-H292 PolarHBondContact O-N 2.95Å; I288-H292 VanDerWaalsContact O-N 3.11Å; I288-Y305 HydrophobicContact CB-CD1 4.46Å; I288-Y305 HydrophobicContact CB-CE1 4.06Å; I288-Y305 HydrophobicContact CD1-CE2 4.18Å; I288-Y305 HydrophobicContact CG1-CD1 4.11Å; I288-Y305 HydrophobicContact CG1-CD2 4.05Å; I288-Y305 HydrophobicContact CG1-CE1 3.92Å; I288-Y305 HydrophobicContact CG1-CE2 3.82Å; I288-Y305 HydrophobicContact CG1-CG 4.2Å; I288-Y305 HydrophobicContact CG2-CE1 3.75Å; I288-Y305 WeakPolarHBondContact CG2-OH 3.34Å; I288-F307 HydrophobicContact CD1-CE2 3.84Å; I288-F307 HydrophobicContact CD1-CZ 4.35Å; I288-F307 HydrophobicContact CG1-CE2 3.62Å; I288-F307 HydrophobicContact CG1-CZ 4.03Å
289H98.6Very high97.6Very high84 Ų8449.2 Ų49.239%0.38926%0.255SS..Hα-helixtrans-62-41.9177.1-68.4-47.7000112.3Q285 Q286 I287 V291 H292 R293 L363Q285-H289 PolarHBondContact O-CD2 3.08Å; Q285-H289 PolarHBondContact O-N 3.18Å; Q286-H289 PolarHBondContact O-N 2.93Å; I287-H289 VanDerWaalsContact C-N 3.34Å; I287-H289 PolarHBondContact O-N 2.86Å; H289-V291 PolarHBondContact O-N 2.83Å; H289-H292 PolarHBondContact O-N 2.78Å; H289-R293 WeakPolarHBondContact O-CB 3.41Å; H289-R293 VanDerWaalsContact O-CG 3.3Å; H289-R293 WeakPolarHBondContact O-CG 3.11Å; H289-R293 PolarHBondContact O-N 3.16Å; H289-L363 HydrophobicContact CB-CD1 4.39Å; H289-L363 HydrophobicContact CB-CD2 4.17Å
290L98.7Very high97.7Very high0 Ų053.2 Ų53.20%027%0.274CS..Hα-helixtrans-57.9-49.6176.9177.761.3000111.3Q286 I287 I288 H292 R293 Y294 F325 L328 V329 F332 F333 I361 L363Q286-L290 WeakPolarHBondContact O-CB 3.49Å; Q286-L290 PolarHBondContact O-N 2.89Å; I287-L290 WeakPolarHBondContact O-CB 3.43Å; I287-L290 PolarHBondContact O-N 2.98Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 2.99Å; L290-H292 PolarHBondContact O-N 3.09Å; L290-R293 PolarHBondContact O-N 3.42Å; L290-Y294 VanDerWaalsContact O-CB 3.26Å; L290-Y294 WeakPolarHBondContact O-CB 3.32Å; L290-Y294 PolarHBondContact O-N 3.4Å; L290-F325 HydrophobicContact CG-CE2 4.49Å; L290-L328 HydrophobicContact CD1-CD2 3.65Å; L290-L328 HydrophobicContact CD1-CG 3.9Å; L290-L328 HydrophobicContact CG-CD2 4.41Å; L290-V329 HydrophobicContact CD2-CG2 3.94Å; L290-F332 HydrophobicContact CD1-CD2 3.69Å; L290-F332 HydrophobicContact CD1-CE2 4.14Å; L290-F332 HydrophobicContact CD1-CG 4.49Å; L290-F333 HydrophobicContact CD2-CD2 4.38Å; L290-F333 HydrophobicContact CD2-CE2 3.85Å; L290-I361 HydrophobicContact CD1-CG2 3.6Å; L290-L363 HydrophobicContact CB-CD1 3.82Å; L290-L363 HydrophobicContact CD1-CD1 4.22Å
291V98.9Very high97.8Very high0 Ų053.4 Ų53.40%028%0.277CS..Hα-helixtrans-59.5-48.1179.5169.40000111.3M260 I287 I288 H289 Y294 N295 V303 Y305 I315 F325M260-V291 HydrophobicContact SD-CG1 3.95Å; I287-V291 WeakPolarHBondContact O-CG2 3.25Å; I287-V291 PolarHBondContact O-N 3.25Å; I288-V291 PolarHBondContact O-N 2.69Å; H289-V291 PolarHBondContact O-N 2.83Å; V291-Y294 PolarHBondContact O-N 3.44Å; V291-N295 WeakPolarHBondContact O-CB 3.41Å; V291-N295 PolarHBondContact O-N 3.07Å; V291-N295 PolarHBondContact O-ND2 3.18Å; V291-V303 HydrophobicContact CB-CG2 4.38Å; V291-V303 HydrophobicContact CG1-CB 4.4Å; V291-V303 HydrophobicContact CG1-CG2 3.77Å; V291-V303 HydrophobicContact CG2-CG2 4.42Å; V291-Y305 HydrophobicContact CB-CD1 3.75Å; V291-Y305 HydrophobicContact CB-CE1 4.34Å; V291-Y305 HydrophobicContact CG1-CD1 3.64Å; V291-Y305 HydrophobicContact CG1-CE1 4.18Å; V291-Y305 HydrophobicContact CG2-CD1 4.03Å; V291-I315 HydrophobicContact CG2-CD1 4.03Å; V291-F325 HydrophobicContact CG2-CE2 4.25Å; V291-F325 HydrophobicContact CG2-CZ 3.92Å
292H98.8Very high98Very high86 Ų8653.4 Ų53.440%0.39827%0.273SS..Hα-helixtrans-65-43.5179.8-78.3-60000112.7I288 H289 L290 Y294 K296 Y305I288-H292 PolarHBondContact O-CD2 2.75Å; I288-H292 VanDerWaalsContact O-CD2 3.22Å; I288-H292 PolarHBondContact O-N 2.95Å; I288-H292 VanDerWaalsContact O-N 3.11Å; H289-H292 PolarHBondContact O-N 2.78Å; L290-H292 PolarHBondContact O-N 3.09Å; H292-Y294 VanDerWaalsContact C-N 3.33Å; H292-K296 VanDerWaalsContact O-CB 3.28Å; H292-K296 WeakPolarHBondContact O-CB 3.47Å; H292-K296 PolarHBondContact O-N 2.95Å; H292-Y305 AromaticContact CD2-CE1 3.9Å; H292-Y305 AromaticContact NE2-CE1 3.48Å; H292-Y305 WeakPolarHBondContact NE2-CE1 2.85Å; H292-Y305 AromaticContact NE2-CZ 3.71Å; H292-Y305 PolarHBondContact NE2-OH 2.98Å; H292-Y305 VanDerWaalsContact NE2-OH 3.09Å
293R98.6Very high98.2Very high101 Ų10149.5 Ų49.538%0.38125%0.246SC..Hα-helixtrans-65.9-37.8178.3-68.8-174-171-171.22.1111.5H289 L290 K296 Y297 I361 G362 L363H289-R293 WeakPolarHBondContact O-CB 3.41Å; H289-R293 VanDerWaalsContact O-CG 3.3Å; H289-R293 WeakPolarHBondContact O-CG 3.11Å; H289-R293 PolarHBondContact O-N 3.16Å; L290-R293 PolarHBondContact O-N 3.42Å; R293-K296 PolarHBondContact O-N 3.29Å; R293-Y297 WeakPolarHBondContact O-CB 3.31Å; R293-Y297 PolarHBondContact O-N 3.33Å; R293-I361 VanDerWaalsContact C-CD1 3.44Å; R293-I361 HydrophobicContact CB-CD1 3.67Å; R293-I361 HydrophobicContact CB-CG2 4.48Å; R293-I361 WeakPolarHBondContact CD-O 3.46Å; R293-I361 PolarHBondContact NH1-O 3.04Å; R293-G362 VanDerWaalsContact NH1-C 3.31Å; R293-G362 PolarHBondContact NH1-O 3.14Å; R293-L363 VanDerWaalsContact CZ-CD2 3.48Å
294Y98.6Very high98.3Very high0 Ų048.8 Ų48.80%024%0.242CC..Hα-helixtrans-67.9-49.1177.3177.9-115.8000112.2L290 V291 H292 K296 Y297 C298 R302 V303 E324 F325 L328 L357 I361L290-Y294 VanDerWaalsContact O-CB 3.26Å; L290-Y294 WeakPolarHBondContact O-CB 3.32Å; L290-Y294 PolarHBondContact O-N 3.4Å; V291-Y294 PolarHBondContact O-N 3.44Å; H292-Y294 VanDerWaalsContact C-N 3.33Å; Y294-K296 VanDerWaalsContact C-N 3.28Å; Y294-K296 PolarHBondContact O-N 3.11Å; Y294-Y297 PolarHBondContact O-N 3.09Å; Y294-C298 VanDerWaalsContact CE2-SG 3.53Å; Y294-C298 PolarHBondContact O-N 3.44Å; Y294-C298 PolarHBondContact O-SG 3.48Å; Y294-R302 HydrophobicContact CE1-CB 4.06Å; Y294-V303 HydrophobicContact CD1-CG1 4.22Å; Y294-V303 HydrophobicContact CD1-CG2 3.53Å; Y294-V303 HydrophobicContact CE1-CG1 4Å; Y294-V303 HydrophobicContact CE1-CG2 4.06Å; Y294-E324 HydrophobicContact CE2-CG 4.27Å; Y294-E324 VanDerWaalsContact CE2-OE1 3.29Å; Y294-E324 WeakPolarHBondContact CE2-OE1 3.47Å; Y294-E324 VanDerWaalsContact CZ-OE1 3.31Å; Y294-E324 PolarHBondContact OH-OE1 3.28Å; Y294-F325 AromaticContact CD1-CD2 3.63Å; Y294-F325 HydrophobicContact CD1-CD2 3.63Å; Y294-F325 HydrophobicContact CD1-CE2 4.12Å; Y294-F325 HydrophobicContact CE1-CB 4.37Å; Y294-F325 AromaticContact CE1-CD2 3.81Å; Y294-F325 HydrophobicContact CE1-CD2 3.81Å; Y294-F325 HydrophobicContact CG-CD2 4.28Å; Y294-L328 HydrophobicContact CD2-CD2 3.6Å; Y294-L328 HydrophobicContact CE2-CD2 4.32Å; Y294-L328 HydrophobicContact CG-CD2 3.83Å; Y294-L357 HydrophobicContact CD2-CD1 3.95Å; Y294-L357 HydrophobicContact CE2-CD1 4.38Å; Y294-I361 VanDerWaalsContact N-CD1 3.31Å
295N98.6Very high98.4Very high13 Ų1348.9 Ų48.97%0.0724%0.242CC..Hα-helixtrans-57.3-42.4173.8-73.7-25.4000111.9V291 C298 G299 E300 R302 V303V291-N295 WeakPolarHBondContact O-CB 3.41Å; V291-N295 PolarHBondContact O-N 3.07Å; V291-N295 PolarHBondContact O-ND2 3.18Å; N295-C298 PolarHBondContact O-N 3.31Å; N295-G299 PolarHBondContact O-N 3.08Å; N295-G299 VanDerWaalsContact O-N 3.14Å; N295-E300 WeakPolarHBondContact CA-O 3.39Å; N295-E300 PolarHBondContact O-N 3.5Å; N295-E300 VanDerWaalsContact O-O 3.09Å; N295-R302 PolarHBondContact OD1-N 3.43Å; N295-V303 PolarHBondContact ND2-O 3.5Å; N295-V303 WeakPolarHBondContact OD1-CG2 3.47Å; N295-V303 PolarHBondContact OD1-N 2.9Å
296K98.4Very high98.4Very high181 Ų18143.8 Ų43.879%0.78722%0.218SC*.Hα-helixtrans-61.8-46.2177.2-176.8-179.4178-176.90112.1H292 R293 Y294 C298 G299H292-K296 VanDerWaalsContact O-CB 3.28Å; H292-K296 WeakPolarHBondContact O-CB 3.47Å; H292-K296 PolarHBondContact O-N 2.95Å; R293-K296 PolarHBondContact O-N 3.29Å; Y294-K296 VanDerWaalsContact C-N 3.28Å; Y294-K296 PolarHBondContact O-N 3.11Å; K296-C298 VanDerWaalsContact C-N 3.32Å; K296-C298 PolarHBondContact O-N 2.88Å; K296-G299 PolarHBondContact O-N 3.46Å
297Y98.1Very high98.4Very high74 Ų7440.8 Ų40.829%0.2920%0.204SC..Hα-helixtrans-60.9-42.4177.5171.9-99.3000111.7R293 Y294 G299 E356 L357 N360R293-Y297 WeakPolarHBondContact O-CB 3.31Å; R293-Y297 PolarHBondContact O-N 3.33Å; Y294-Y297 PolarHBondContact O-N 3.09Å; Y297-G299 PolarHBondContact O-N 3.39Å; Y297-E356 HydrophobicContact CE2-CG 4.09Å; Y297-E356 PolarHBondContact OH-OE2 2.89Å; Y297-L357 HydrophobicContact CD1-CB 4.46Å; Y297-L357 HydrophobicContact CD1-CD1 3.39Å; Y297-L357 HydrophobicContact CD1-CG 4.42Å; Y297-L357 HydrophobicContact CE1-CB 3.86Å; Y297-L357 HydrophobicContact CE1-CD1 3.65Å; Y297-L357 HydrophobicContact CE1-CG 4.22Å; Y297-L357 HydrophobicContact CG-CD1 3.94Å; Y297-N360 HydrophobicContact CD2-CB 3.59Å; Y297-N360 HydrophobicContact CE2-CB 4.18Å; Y297-N360 HydrophobicContact CG-CB 4.32Å
298C97.3Very high98.2Very high24 Ų2442.3 Ų42.316%0.16221%0.212CC..Hα-helixtrans-71.3-14.1179.6-64.60000114Y294 N295 K296 E300 R302Y294-C298 VanDerWaalsContact CE2-SG 3.53Å; Y294-C298 PolarHBondContact O-N 3.44Å; Y294-C298 PolarHBondContact O-SG 3.48Å; N295-C298 PolarHBondContact O-N 3.31Å; K296-C298 VanDerWaalsContact C-N 3.32Å; K296-C298 PolarHBondContact O-N 2.88Å; C298-E300 HydrophobicContact CB-CG 4.44Å; C298-E300 PolarHBondContact O-N 3.49Å; C298-R302 HydrophobicContact CB-CG 4.23Å; C298-R302 PolarHBondContact SG-NH1 3.03Å; C298-R302 VanDerWaalsContact SG-NH1 3.39Å
299G97.9Very high97.9Very high73 Ų7341.5 Ų41.575%0.75321%0.209SC*.THydrogen-bonded Turntrans69.86.8-175.100000114.1N295 K296 Y297N295-G299 PolarHBondContact O-N 3.08Å; N295-G299 VanDerWaalsContact O-N 3.14Å; K296-G299 PolarHBondContact O-N 3.46Å; Y297-G299 PolarHBondContact O-N 3.39Å
300E97.1Very high97.5Very high94 Ų9437.9 Ų37.944%0.43920%0.195SC..SBendtrans-148.6157178.974.7-175.7160.300110.9N295 C298 R302N295-E300 WeakPolarHBondContact CA-O 3.39Å; N295-E300 PolarHBondContact O-N 3.5Å; N295-E300 VanDerWaalsContact O-O 3.09Å; C298-E300 HydrophobicContact CB-CG 4.44Å; C298-E300 PolarHBondContact O-N 3.49Å; E300-R302 HydrophobicContact CG-CG 3.58Å; E300-R302 PolarHBondContact O-N 3.29Å; E300-R302 VanDerWaalsContact O-N 3.16Å; E300-R302 IonicContact OE1-CZ 3.85Å; E300-R302 IonicContact OE1-NE 2.65Å; E300-R302 PolarHBondContact OE1-NE 2.95Å; E300-R302 IonicContact OE1-NH2 3.35Å; E300-R302 PolarHBondContact OE1-NH2 3.27Å
301T98.4Very high97.3Very high45 Ų4539.2 Ų39.228%0.27620%0.203SC..  trans-81.297.8177.9-59.50000109.7F252 A256 M260F252-T301 WeakPolarHBondContact CD1-O 3.37Å; F252-T301 VanDerWaalsContact CE1-O 3.3Å; F252-T301 WeakPolarHBondContact CE1-O 3.44Å; A256-T301 HydrophobicContact CB-CG2 3.39Å; M260-T301 HydrophobicContact CE-CG2 4.25Å
302R98.5Very high97.1Very high55 Ų5539.9 Ų39.921%0.20821%0.207CC..  trans-95.7-21.6-179.4-64.3-170.7172171.20.8114.3F252 Y294 N295 C298 E300 T317 F321 E324F252-R302 VanDerWaalsContact CE1-O 3.26Å; F252-R302 WeakPolarHBondContact CE1-O 3.47Å; F252-R302 WeakPolarHBondContact CZ-O 3.35Å; Y294-R302 HydrophobicContact CE1-CB 4.06Å; N295-R302 PolarHBondContact OD1-N 3.43Å; C298-R302 HydrophobicContact CB-CG 4.23Å; C298-R302 PolarHBondContact SG-NH1 3.03Å; C298-R302 VanDerWaalsContact SG-NH1 3.39Å; E300-R302 HydrophobicContact CG-CG 3.58Å; E300-R302 PolarHBondContact O-N 3.29Å; E300-R302 VanDerWaalsContact O-N 3.16Å; E300-R302 IonicContact OE1-CZ 3.85Å; E300-R302 IonicContact OE1-NE 2.65Å; E300-R302 PolarHBondContact OE1-NE 2.95Å; E300-R302 IonicContact OE1-NH2 3.35Å; E300-R302 PolarHBondContact OE1-NH2 3.27Å; R302-T317 PolarHBondContact O-OG1 2.75Å; R302-F321 HydrophobicContact CB-CD2 3.89Å; R302-F321 HydrophobicContact CB-CE2 4.11Å; R302-F321 HydrophobicContact CB-CG 4.15Å; R302-F321 HydrophobicContact CG-CD1 4.35Å; R302-F321 HydrophobicContact CG-CD2 4.13Å; R302-F321 HydrophobicContact CG-CE1 4.14Å; R302-F321 HydrophobicContact CG-CE2 3.92Å; R302-F321 HydrophobicContact CG-CG 4.34Å; R302-F321 HydrophobicContact CG-CZ 3.91Å; R302-E324 IonicContact NH1-OE1 3.97Å
303V98.8Very high97Very high0 Ų035.8 Ų35.80%019%0.188CC..EExtended strand (participates in β ladder)trans-139.4146.1-175.5-72.10000110.6V291 Y294 N295 I315 F316 F325V291-V303 HydrophobicContact CB-CG2 4.38Å; V291-V303 HydrophobicContact CG1-CB 4.4Å; V291-V303 HydrophobicContact CG1-CG2 3.77Å; V291-V303 HydrophobicContact CG2-CG2 4.42Å; Y294-V303 HydrophobicContact CD1-CG1 4.22Å; Y294-V303 HydrophobicContact CD1-CG2 3.53Å; Y294-V303 HydrophobicContact CE1-CG1 4Å; Y294-V303 HydrophobicContact CE1-CG2 4.06Å; N295-V303 PolarHBondContact ND2-O 3.5Å; N295-V303 WeakPolarHBondContact OD1-CG2 3.47Å; N295-V303 PolarHBondContact OD1-N 2.9Å; V303-I315 HydrophobicContact CB-CG2 4.3Å; V303-I315 HydrophobicContact CG1-CG2 4.36Å; V303-F316 CarbonylContact C-O 3.58Å; V303-F316 WeakPolarHBondContact CA-O 3.29Å; V303-F325 HydrophobicContact CB-CD2 4.47Å; V303-F325 HydrophobicContact CB-CE2 4.35Å; V303-F325 HydrophobicContact CG1-CB 4.29Å; V303-F325 HydrophobicContact CG1-CD1 4.23Å; V303-F325 HydrophobicContact CG1-CD2 3.69Å; V303-F325 HydrophobicContact CG1-CE2 4.02Å; V303-F325 HydrophobicContact CG1-CG 3.78Å; V303-F325 HydrophobicContact CG1-CZ 4.44Å; V303-F325 HydrophobicContact CG2-CD2 4.29Å; V303-F325 HydrophobicContact CG2-CE2 4.05Å
304A98.9Very high97Very high0 Ų031.2 Ų31.20%017%0.171CC..EExtended strand (participates in β ladder)trans-126.5148172.600000109.1A256 M260 I315 F316A256-A304 VanDerWaalsContact CA-CB 3.5Å; A256-A304 HydrophobicContact CB-CB 3.53Å; M260-A304 HydrophobicContact CG-CB 4.16Å; A304-I315 CarbonylContact O-C 3.56Å; A304-I315 WeakPolarHBondContact O-CA 3.08Å; A304-I315 WeakPolarHBondContact O-CG2 3.37Å; A304-F316 HydrophobicContact CB-CB 4.25Å; A304-F316 PolarHBondContact N-O 3.2Å; A304-F316 PolarHBondContact O-N 3.22Å
305Y98.9Very high97Very high2 Ų231.2 Ų31.21%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-109.9154.8167.960.5-104.4000111.2M260 N264 I288 V291 H292 F307 V314M260-Y305 HydrophobicContact CB-CE1 4.44Å; M260-Y305 HydrophobicContact CB-CE2 4.09Å; M260-Y305 HydrophobicContact CG-CD1 3.96Å; M260-Y305 HydrophobicContact CG-CD2 4.09Å; M260-Y305 HydrophobicContact CG-CE1 3.88Å; M260-Y305 HydrophobicContact CG-CE2 4.03Å; M260-Y305 HydrophobicContact CG-CG 4.04Å; M260-Y305 WeakPolarHBondContact CG-O 3.47Å; M260-Y305 HydrophobicContact SD-CD1 3.74Å; M260-Y305 HydrophobicContact SD-CE1 3.52Å; M260-Y305 VanDerWaalsContact SD-CE1 3.52Å; M260-Y305 HydrophobicContact SD-CG 4.41Å; N264-Y305 PolarHBondContact ND2-OH 2.93Å; N264-Y305 VanDerWaalsContact ND2-OH 3.11Å; N264-Y305 VanDerWaalsContact OD1-CE2 3.28Å; N264-Y305 WeakPolarHBondContact OD1-CE2 3.37Å; N264-Y305 PolarHBondContact OD1-OH 3.33Å; N264-Y305 VanDerWaalsContact OD1-OH 3.11Å; I288-Y305 HydrophobicContact CB-CD1 4.46Å; I288-Y305 HydrophobicContact CB-CE1 4.06Å; I288-Y305 HydrophobicContact CD1-CE2 4.18Å; I288-Y305 HydrophobicContact CG1-CD1 4.11Å; I288-Y305 HydrophobicContact CG1-CD2 4.05Å; I288-Y305 HydrophobicContact CG1-CE1 3.92Å; I288-Y305 HydrophobicContact CG1-CE2 3.82Å; I288-Y305 HydrophobicContact CG1-CG 4.2Å; I288-Y305 HydrophobicContact CG2-CE1 3.75Å; I288-Y305 WeakPolarHBondContact CG2-OH 3.34Å; V291-Y305 HydrophobicContact CB-CD1 3.75Å; V291-Y305 HydrophobicContact CB-CE1 4.34Å; V291-Y305 HydrophobicContact CG1-CD1 3.64Å; V291-Y305 HydrophobicContact CG1-CE1 4.18Å; V291-Y305 HydrophobicContact CG2-CD1 4.03Å; H292-Y305 AromaticContact CD2-CE1 3.9Å; H292-Y305 AromaticContact NE2-CE1 3.48Å; H292-Y305 WeakPolarHBondContact NE2-CE1 2.85Å; H292-Y305 AromaticContact NE2-CZ 3.71Å; H292-Y305 PolarHBondContact NE2-OH 2.98Å; H292-Y305 VanDerWaalsContact NE2-OH 3.09Å; Y305-F307 AromaticContact CD2-CD2 3.87Å; Y305-F307 HydrophobicContact CD2-CD2 3.87Å; Y305-F307 AromaticContact CD2-CE2 3.57Å; Y305-F307 HydrophobicContact CD2-CE2 3.57Å; Y305-F307 HydrophobicContact CE2-CE2 4.32Å; Y305-F307 AromaticContact CG-CE2 3.96Å; Y305-F307 HydrophobicContact CG-CE2 3.96Å; Y305-V314 CarbonylContact C-O 3.55Å; Y305-V314 WeakPolarHBondContact CA-O 3.23Å
306S98.6Very high97Very high0 Ų030.6 Ų30.60%017%0.168CC..EExtended strand (participates in β ladder)trans-146.3145.2166.3-154.20000109.8K24 V314K24-S306 WeakPolarHBondContact CE-OG 3.14Å; K24-S306 PolarHBondContact NZ-OG 3.01Å; S306-V314 PolarHBondContact N-O 3.3Å; S306-V314 PolarHBondContact O-N 2.91Å
307F97.4Very high97.1Very high0 Ų022 Ų220%013%0.13CC..EExtended strand (participates in β ladder)trans-128.9132.9179.4-65-96.3000109.1K24 S263 H267 L280 I287 I288 Y305 P311 N312 A313K24-F307 WeakPolarHBondContact CE-O 3.43Å; K24-F307 PolarHBondContact NZ-O 3.32Å; S263-F307 PolarHBondContact OG-N 3.05Å; H267-F307 VanDerWaalsContact NE2-CB 3.28Å; H267-F307 WeakPolarHBondContact NE2-CB 3.34Å; H267-F307 PolarHBondContact NE2-O 3.36Å; H267-F307 VanDerWaalsContact NE2-O 3.13Å; L280-F307 HydrophobicContact CD2-CB 3.55Å; L280-F307 HydrophobicContact CD2-CD1 3.52Å; L280-F307 HydrophobicContact CD2-CD2 4.13Å; L280-F307 HydrophobicContact CD2-CE1 4.19Å; L280-F307 HydrophobicContact CD2-CG 3.48Å; L280-F307 VanDerWaalsContact CD2-CG 3.48Å; I287-F307 HydrophobicContact CG2-CZ 4.4Å; I288-F307 HydrophobicContact CD1-CE2 3.84Å; I288-F307 HydrophobicContact CD1-CZ 4.35Å; I288-F307 HydrophobicContact CG1-CE2 3.62Å; I288-F307 HydrophobicContact CG1-CZ 4.03Å; Y305-F307 AromaticContact CD2-CD2 3.87Å; Y305-F307 HydrophobicContact CD2-CD2 3.87Å; Y305-F307 AromaticContact CD2-CE2 3.57Å; Y305-F307 HydrophobicContact CD2-CE2 3.57Å; Y305-F307 HydrophobicContact CE2-CE2 4.32Å; Y305-F307 AromaticContact CG-CE2 3.96Å; Y305-F307 HydrophobicContact CG-CE2 3.96Å; F307-P311 WeakPolarHBondContact CE1-O 3.44Å; F307-N312 WeakPolarHBondContact CD1-O 3.27Å; F307-A313 HydrophobicContact CD1-CB 4.14Å; F307-A313 VanDerWaalsContact CE1-CA 3.46Å; F307-A313 HydrophobicContact CE1-CB 3.36Å; F307-A313 HydrophobicContact CE2-CB 4.39Å; F307-A313 HydrophobicContact CZ-CB 3.51Å
308D94.3Very high97.1Very high33 Ų3319.8 Ų19.818%0.17612%0.124CC..  trans-90.4-155.6171.1-70.9-28.8000110K24 H267 G310K24-D308 IonicContact NZ-OD1 3.88Å; K24-D308 PolarHBondContact NZ-OD1 2.91Å; H267-D308 PolarHBondContact CE1-O 3.26Å; H267-D308 PolarHBondContact NE2-O 2.97Å; D308-G310 PolarHBondContact O-N 2.62Å
309A92.1Very high97.2Very high7 Ų723.8 Ų23.86%0.05814%0.14CC..SBendtrans-7365.817700000111.8W26 K210 S214 Y279W26-A309 HydrophobicContact CZ3-CB 4.4Å; K210-A309 WeakPolarHBondContact CD-O 3.24Å; K210-A309 WeakPolarHBondContact CE-O 3.33Å; K210-A309 PolarHBondContact NZ-O 2.92Å; S214-A309 WeakPolarHBondContact OG-CB 3.11Å; Y279-A309 VanDerWaalsContact CD1-C 3.42Å; Y279-A309 HydrophobicContact CD1-CB 4.23Å; Y279-A309 HydrophobicContact CD2-CB 4.15Å; Y279-A309 HydrophobicContact CE1-CB 3.81Å; Y279-A309 HydrophobicContact CE2-CB 3.68Å; Y279-A309 HydrophobicContact CG-CB 4.4Å
310G91.6Very high97.1Very high8 Ų826.9 Ų26.98%0.08214%0.135CC..SBendtrans170.1175.2177.400000112.3Y279 D308 N312Y279-G310 CarbonylContact O-C 3.49Å; D308-G310 PolarHBondContact O-N 2.62Å; G310-N312 VanDerWaalsContact C-N 3.33Å; G310-N312 PolarHBondContact O-N 2.89Å
311P93.5Very high97.2Very high28 Ų2823.7 Ų23.718%0.18212%0.12CC..SBendtrans-82.2-8.9-171.832.5-37000114.3V205 Y279 N281 S284 F307 A313V205-P311 HydrophobicContact CB-CB 4.4Å; V205-P311 HydrophobicContact CG1-CB 4.15Å; V205-P311 HydrophobicContact CG1-CG 4.48Å; Y279-P311 WeakPolarHBondContact O-CA 3.28Å; N281-P311 HydrophobicContact CB-CB 4.48Å; S284-P311 WeakPolarHBondContact OG-CA 3.36Å; S284-P311 WeakPolarHBondContact OG-CB 3.31Å; S284-P311 PolarHBondContact OG-O 2.93Å; F307-P311 WeakPolarHBondContact CE1-O 3.44Å; P311-A313 PolarHBondContact O-N 3.04Å
312N94.6Very high97.2Very high13 Ų1322.1 Ų22.17%0.0711%0.11CC..PPolyproline II helixtrans-70.8128.5-176.3-65.7-17.9000110.7A125 V205 S206 F307 G310A125-N312 PolarHBondContact O-ND2 2.86Å; V205-N312 WeakPolarHBondContact CA-OD1 3.22Å; V205-N312 PolarHBondContact N-OD1 3.25Å; S206-N312 PolarHBondContact N-OD1 2.91Å; S206-N312 PolarHBondContact O-ND2 2.87Å; S206-N312 PolarHBondContact O-OD1 2.92Å; F307-N312 WeakPolarHBondContact CD1-O 3.27Å; G310-N312 VanDerWaalsContact C-N 3.33Å; G310-N312 PolarHBondContact O-N 2.89Å
313A97.4Very high97.2Very high0 Ų021.1 Ų21.10%011%0.11CC..EExtended strand (participates in β ladder)trans-89.3132.6-179.900000110L203 I287 F307 P311 I315L203-A313 HydrophobicContact CB-CB 4.16Å; L203-A313 HydrophobicContact CD1-CB 4.33Å; L203-A313 HydrophobicContact CG-CB 4.45Å; L203-A313 PolarHBondContact N-O 3.27Å; L203-A313 PolarHBondContact O-N 2.88Å; I287-A313 HydrophobicContact CD1-CB 3.89Å; I287-A313 HydrophobicContact CG2-CB 3.77Å; F307-A313 HydrophobicContact CD1-CB 4.14Å; F307-A313 VanDerWaalsContact CE1-CA 3.46Å; F307-A313 HydrophobicContact CE1-CB 3.36Å; F307-A313 HydrophobicContact CE2-CB 4.39Å; F307-A313 HydrophobicContact CZ-CB 3.51Å; P311-A313 PolarHBondContact O-N 3.04Å; A313-I315 HydrophobicContact CB-CD1 4.24Å
314V98.4Very high97.1Very high6 Ų623.8 Ų23.84%0.03612%0.123CC..EExtended strand (participates in β ladder)trans-103.9117165.5-174.70000108.2I20 I200 V202 Y305 S306 F316I20-V314 HydrophobicContact CD1-CG2 4.04Å; I20-V314 HydrophobicContact CG1-CG1 4.21Å; I20-V314 HydrophobicContact CG1-CG2 4.31Å; I20-V314 HydrophobicContact CG2-CB 4.13Å; I20-V314 HydrophobicContact CG2-CG1 3.98Å; I20-V314 HydrophobicContact CG2-CG2 4.1Å; I200-V314 HydrophobicContact CG2-CG1 3.33Å; V202-V314 HydrophobicContact CG2-CG2 4.49Å; Y305-V314 CarbonylContact C-O 3.55Å; Y305-V314 WeakPolarHBondContact CA-O 3.23Å; S306-V314 PolarHBondContact N-O 3.3Å; S306-V314 PolarHBondContact O-N 2.91Å; V314-F316 HydrophobicContact CB-CE2 4.48Å; V314-F316 HydrophobicContact CG1-CE2 3.9Å; V314-F316 HydrophobicContact CG1-CZ 4.02Å
315I98.9Very high97.1Very high0 Ų023.8 Ų23.80%012%0.123CC..EExtended strand (participates in β ladder)trans-99.5132178.8-51.7-59000109.2I200 L201 L203 I287 V291 V303 A304 A313 F325I200-I315 CarbonylContact C-O 3.53Å; I200-I315 VanDerWaalsContact CA-O 3.29Å; I200-I315 WeakPolarHBondContact CA-O 3.42Å; L201-I315 HydrophobicContact CB-CB 4.16Å; L201-I315 PolarHBondContact N-O 3.13Å; L201-I315 PolarHBondContact O-N 2.9Å; L203-I315 HydrophobicContact CD1-CD1 4.26Å; L203-I315 HydrophobicContact CD1-CG1 3.79Å; L203-I315 HydrophobicContact CG-CG1 4Å; I287-I315 HydrophobicContact CG2-CD1 4Å; V291-I315 HydrophobicContact CG2-CD1 4.03Å; V303-I315 HydrophobicContact CB-CG2 4.3Å; V303-I315 HydrophobicContact CG1-CG2 4.36Å; A304-I315 CarbonylContact O-C 3.56Å; A304-I315 WeakPolarHBondContact O-CA 3.08Å; A304-I315 WeakPolarHBondContact O-CG2 3.37Å; A313-I315 HydrophobicContact CB-CD1 4.24Å; I315-F325 HydrophobicContact CB-CE1 4.29Å; I315-F325 HydrophobicContact CG1-CE1 4.02Å; I315-F325 HydrophobicContact CG1-CZ 4.44Å; I315-F325 HydrophobicContact CG2-CD1 4.21Å; I315-F325 HydrophobicContact CG2-CE1 3.65Å; I315-F325 HydrophobicContact CG2-CZ 4.14Å
316F98.9Very high97Very high0 Ų023.8 Ų23.80%012%0.123CC..EExtended strand (participates in β ladder)trans-106.2137169.2-61-93.9000109.1I20 V22 V43 L198 R199 I200 F252 F255 T259 V303 A304 V314I20-F316 HydrophobicContact CB-CZ 4.26Å; I20-F316 HydrophobicContact CG2-CE2 4.33Å; I20-F316 HydrophobicContact CG2-CZ 3.87Å; V22-F316 HydrophobicContact CG1-CE1 4.17Å; V22-F316 HydrophobicContact CG1-CE2 3.99Å; V22-F316 HydrophobicContact CG1-CZ 3.66Å; V43-F316 HydrophobicContact CB-CE1 4.24Å; V43-F316 HydrophobicContact CG2-CE1 3.85Å; L198-F316 HydrophobicContact CD1-CB 4.45Å; L198-F316 HydrophobicContact CD2-CD1 4.48Å; R199-F316 WeakPolarHBondContact O-CA 3.3Å; I200-F316 HydrophobicContact CG1-CD1 3.71Å; I200-F316 HydrophobicContact CG1-CE1 3.66Å; I200-F316 HydrophobicContact CG2-CE1 4.44Å; F252-F316 WeakPolarHBondContact CZ-O 3.29Å; F255-F316 HydrophobicContact CE1-CB 3.75Å; F255-F316 AromaticContact CE1-CD1 3.97Å; F255-F316 HydrophobicContact CE1-CD1 3.97Å; F255-F316 HydrophobicContact CE1-CD2 4.5Å; F255-F316 AromaticContact CE1-CG 3.83Å; F255-F316 HydrophobicContact CE1-CG 3.83Å; F255-F316 HydrophobicContact CZ-CB 4.45Å; F255-F316 AromaticContact CZ-CD1 3.82Å; F255-F316 HydrophobicContact CZ-CD1 3.82Å; F255-F316 HydrophobicContact CZ-CE1 4.2Å; F255-F316 HydrophobicContact CZ-CG 4.06Å; T259-F316 HydrophobicContact CG2-CD2 4.04Å; T259-F316 HydrophobicContact CG2-CE2 4.05Å; V303-F316 CarbonylContact C-O 3.58Å; V303-F316 WeakPolarHBondContact CA-O 3.29Å; A304-F316 HydrophobicContact CB-CB 4.25Å; A304-F316 PolarHBondContact N-O 3.2Å; A304-F316 PolarHBondContact O-N 3.22Å; V314-F316 HydrophobicContact CB-CE2 4.48Å; V314-F316 HydrophobicContact CG1-CE2 3.9Å; V314-F316 HydrophobicContact CG1-CZ 4.02Å
317T98.9Very high96.8Very high0 Ų026.7 Ų26.70%014%0.136CC..EExtended strand (participates in β ladder)trans-157.3173176.7-166.80000110.2R199 R302 F321 V322R199-T317 HydrophobicContact CB-CG2 4.2Å; R199-T317 PolarHBondContact N-O 3.1Å; R199-T317 PolarHBondContact O-N 2.96Å; R302-T317 PolarHBondContact O-OG1 2.75Å; T317-F321 WeakPolarHBondContact OG1-CB 3.33Å; T317-V322 HydrophobicContact CG2-CG2 3.52Å
318L98.8Very high96.8Very high28 Ų2826.7 Ų26.715%0.14714%0.136CC..EExtended strand (participates in β ladder)trans-92.4149.9171.4-59.6-178.7000110.3W195 E197 F252 Q320 F321 V322W195-L318 HydrophobicContact CZ2-CD2 4.24Å; E197-L318 HydrophobicContact CB-CD2 4.26Å; E197-L318 CarbonylContact O-C 3.37Å; E197-L318 WeakPolarHBondContact O-CA 3.4Å; F252-L318 HydrophobicContact CB-CD1 4.2Å; F252-L318 HydrophobicContact CB-CD2 4.48Å; F252-L318 HydrophobicContact CB-CG 4.41Å; F252-L318 HydrophobicContact CD2-CD2 3.75Å; F252-L318 HydrophobicContact CD2-CG 3.88Å; F252-L318 HydrophobicContact CE2-CD2 4.39Å; F252-L318 HydrophobicContact CE2-CG 4.39Å; F252-L318 HydrophobicContact CG-CD1 4.29Å; F252-L318 HydrophobicContact CG-CD2 4.27Å; F252-L318 HydrophobicContact CG-CG 4.05Å; L318-Q320 HydrophobicContact CB-CG 4.42Å; L318-Q320 PolarHBondContact O-N 2.75Å; L318-F321 HydrophobicContact CB-CD2 3.98Å; L318-F321 HydrophobicContact CB-CE2 4.28Å; L318-F321 HydrophobicContact CD1-CE2 4.37Å; L318-F321 PolarHBondContact O-N 3.43Å; L318-V322 PolarHBondContact O-N 3.13Å
319Q98.4Very high96.9Very high107 Ų10725.1 Ų25.150%0.513%0.128SC..G310 helixtrans-46.8-40.5-176.1178.1177-8.700113.9E197 R199 F321 V322E197-Q319 PolarHBondContact O-N 3.36Å; R199-Q319 HydrophobicContact CG-CB 4.12Å; Q319-F321 VanDerWaalsContact C-N 3.26Å; Q319-F321 PolarHBondContact O-N 3.09Å; Q319-V322 PolarHBondContact O-N 3.27Å
320Q97.8Very high97Very high139 Ų13926.8 Ų26.865%0.6514%0.135SC*.G310 helixtrans-65.3-24.7-179.167.9-158.825.400114.2L318L318-Q320 HydrophobicContact CB-CG 4.42Å; L318-Q320 PolarHBondContact O-N 2.75Å
321F98.2Very high97.2Very high27 Ų2729.6 Ų29.612%0.11815%0.146CC..G310 helixtrans-96.7-10.9-177.9-55.2-49.7000113.3R302 T317 L318 Q319 E324 F325R302-F321 HydrophobicContact CB-CD2 3.89Å; R302-F321 HydrophobicContact CB-CE2 4.11Å; R302-F321 HydrophobicContact CB-CG 4.15Å; R302-F321 HydrophobicContact CG-CD1 4.35Å; R302-F321 HydrophobicContact CG-CD2 4.13Å; R302-F321 HydrophobicContact CG-CE1 4.14Å; R302-F321 HydrophobicContact CG-CE2 3.92Å; R302-F321 HydrophobicContact CG-CG 4.34Å; R302-F321 HydrophobicContact CG-CZ 3.91Å; T317-F321 WeakPolarHBondContact OG1-CB 3.33Å; L318-F321 HydrophobicContact CB-CD2 3.98Å; L318-F321 HydrophobicContact CB-CE2 4.28Å; L318-F321 HydrophobicContact CD1-CE2 4.37Å; L318-F321 PolarHBondContact O-N 3.43Å; Q319-F321 VanDerWaalsContact C-N 3.26Å; Q319-F321 PolarHBondContact O-N 3.09Å; F321-E324 PolarHBondContact O-N 2.97Å; F321-F325 WeakPolarHBondContact O-CB 3.49Å; F321-F325 PolarHBondContact O-N 2.9Å; F321-F325 VanDerWaalsContact O-N 3.1Å
322V98.4Very high97.3Very high11 Ų1128.5 Ų28.57%0.06714%0.138CC..Hα-helixtrans-56.4-49.1-1791750000113.2R199 L201 T317 L318 Q319 E324 F325 V326 V348R199-V322 HydrophobicContact CB-CG2 3.64Å; R199-V322 HydrophobicContact CG-CG2 3.73Å; L201-V322 HydrophobicContact CD2-CG1 4.2Å; T317-V322 HydrophobicContact CG2-CG2 3.52Å; L318-V322 PolarHBondContact O-N 3.13Å; Q319-V322 PolarHBondContact O-N 3.27Å; V322-E324 PolarHBondContact O-N 2.75Å; V322-F325 PolarHBondContact O-N 3.5Å; V322-V326 HydrophobicContact CG1-CG2 3.94Å; V322-V326 WeakPolarHBondContact O-CB 3.28Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.36Å; V322-V326 PolarHBondContact O-N 2.75Å; V322-V348 HydrophobicContact CG1-CG1 3.97Å; V322-V348 HydrophobicContact CG1-CG2 3.86Å
323P97.5Very high97.4Very high34 Ų3428 Ų2822%0.22114%0.135CC..Hα-helixtrans-56.8-48.5-177.6-29.139.4000113.4Q327 K349 A351P323-Q327 WeakPolarHBondContact O-CB 3.35Å; P323-Q327 PolarHBondContact O-N 3.47Å; P323-Q327 VanDerWaalsContact O-N 3.16Å; P323-K349 WeakPolarHBondContact CB-O 3.34Å; P323-K349 HydrophobicContact CG-CB 4.36Å; P323-A351 HydrophobicContact CB-CB 3.85Å
324E97.6Very high97.2Very high56 Ų5630 Ų3026%0.26215%0.148SC..Hα-helixtrans-66.2-47.3-178.7-176.4175.177.500111.2Y294 R302 F321 V322 V326 Q327 L328 L353 L357Y294-E324 HydrophobicContact CE2-CG 4.27Å; Y294-E324 VanDerWaalsContact CE2-OE1 3.29Å; Y294-E324 WeakPolarHBondContact CE2-OE1 3.47Å; Y294-E324 VanDerWaalsContact CZ-OE1 3.31Å; Y294-E324 PolarHBondContact OH-OE1 3.28Å; R302-E324 IonicContact NH1-OE1 3.97Å; F321-E324 PolarHBondContact O-N 2.97Å; V322-E324 PolarHBondContact O-N 2.75Å; E324-V326 PolarHBondContact O-N 3.43Å; E324-Q327 PolarHBondContact O-N 2.94Å; E324-L328 WeakPolarHBondContact O-CB 3.49Å; E324-L328 PolarHBondContact O-N 3.05Å; E324-L353 HydrophobicContact CG-CD2 4.2Å; E324-L357 HydrophobicContact CG-CD2 4.25Å
325F98.1Very high96.7Very high0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-66.9-40-177.7-173.9-101.8000112.7L201 L290 V291 Y294 V303 I315 F321 V322 Q327 L328 V329L201-F325 HydrophobicContact CD1-CD1 3.95Å; L201-F325 HydrophobicContact CD1-CE1 4.46Å; L290-F325 HydrophobicContact CG-CE2 4.49Å; V291-F325 HydrophobicContact CG2-CE2 4.25Å; V291-F325 HydrophobicContact CG2-CZ 3.92Å; Y294-F325 AromaticContact CD1-CD2 3.63Å; Y294-F325 HydrophobicContact CD1-CD2 3.63Å; Y294-F325 HydrophobicContact CD1-CE2 4.12Å; Y294-F325 HydrophobicContact CE1-CB 4.37Å; Y294-F325 AromaticContact CE1-CD2 3.81Å; Y294-F325 HydrophobicContact CE1-CD2 3.81Å; Y294-F325 HydrophobicContact CG-CD2 4.28Å; V303-F325 HydrophobicContact CB-CD2 4.47Å; V303-F325 HydrophobicContact CB-CE2 4.35Å; V303-F325 HydrophobicContact CG1-CB 4.29Å; V303-F325 HydrophobicContact CG1-CD1 4.23Å; V303-F325 HydrophobicContact CG1-CD2 3.69Å; V303-F325 HydrophobicContact CG1-CE2 4.02Å; V303-F325 HydrophobicContact CG1-CG 3.78Å; V303-F325 HydrophobicContact CG1-CZ 4.44Å; V303-F325 HydrophobicContact CG2-CD2 4.29Å; V303-F325 HydrophobicContact CG2-CE2 4.05Å; I315-F325 HydrophobicContact CB-CE1 4.29Å; I315-F325 HydrophobicContact CG1-CE1 4.02Å; I315-F325 HydrophobicContact CG1-CZ 4.44Å; I315-F325 HydrophobicContact CG2-CD1 4.21Å; I315-F325 HydrophobicContact CG2-CE1 3.65Å; I315-F325 HydrophobicContact CG2-CZ 4.14Å; F321-F325 WeakPolarHBondContact O-CB 3.49Å; F321-F325 PolarHBondContact O-N 2.9Å; F321-F325 VanDerWaalsContact O-N 3.1Å; V322-F325 PolarHBondContact O-N 3.5Å; F325-Q327 VanDerWaalsContact C-N 3.34Å; F325-Q327 PolarHBondContact O-N 3.39Å; F325-L328 WeakPolarHBondContact O-CB 3.44Å; F325-L328 PolarHBondContact O-N 2.89Å; F325-V329 HydrophobicContact CD1-CG2 4.07Å; F325-V329 HydrophobicContact CE1-CG2 3.61Å; F325-V329 HydrophobicContact CZ-CG2 3.94Å; F325-V329 WeakPolarHBondContact O-CG2 3.32Å; F325-V329 PolarHBondContact O-N 2.99Å
326V97.3Very high95.6Very high2 Ų236.7 Ų36.71%0.01219%0.186CC..Hα-helixtrans-63.9-41.7176.4169.30000111L201 V322 E324 L328 V329 Q330 I343 V348 I373L201-V326 HydrophobicContact CD1-CG2 3.67Å; L201-V326 HydrophobicContact CD2-CG2 4.32Å; V322-V326 HydrophobicContact CG1-CG2 3.94Å; V322-V326 WeakPolarHBondContact O-CB 3.28Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.36Å; V322-V326 PolarHBondContact O-N 2.75Å; E324-V326 PolarHBondContact O-N 3.43Å; V326-L328 VanDerWaalsContact C-N 3.26Å; V326-L328 PolarHBondContact O-N 2.87Å; V326-V329 PolarHBondContact O-N 3.29Å; V326-Q330 WeakPolarHBondContact O-CG 3.22Å; V326-Q330 PolarHBondContact O-N 3.1Å; V326-I343 HydrophobicContact CG1-CD1 3.47Å; V326-I343 VanDerWaalsContact CG1-CD1 3.47Å; V326-I343 HydrophobicContact CG1-CG1 4.16Å; V326-V348 HydrophobicContact CB-CG1 3.96Å; V326-V348 HydrophobicContact CG1-CG1 4.05Å; V326-V348 HydrophobicContact CG2-CG1 4.1Å; V326-V348 HydrophobicContact CG2-CG2 4.4Å; V326-I373 HydrophobicContact CG1-CD1 4.31Å
327Q95.6Very high94.1Very high61 Ų6147.2 Ų47.229%0.28523%0.226SC..Hα-helixtrans-63.1-36.7175.5-170.265.460.100111.5P323 E324 F325 Q330 H331 A351 L353P323-Q327 WeakPolarHBondContact O-CB 3.35Å; P323-Q327 PolarHBondContact O-N 3.47Å; P323-Q327 VanDerWaalsContact O-N 3.16Å; E324-Q327 PolarHBondContact O-N 2.94Å; F325-Q327 VanDerWaalsContact C-N 3.34Å; F325-Q327 PolarHBondContact O-N 3.39Å; Q327-Q330 PolarHBondContact O-N 3.06Å; Q327-H331 PolarHBondContact O-N 3.32Å; Q327-A351 WeakPolarHBondContact CG-O 3.34Å; Q327-L353 HydrophobicContact CB-CD1 4.34Å; Q327-L353 HydrophobicContact CB-CD2 4.1Å; Q327-L353 HydrophobicContact CB-CG 4.07Å; Q327-L353 HydrophobicContact CG-CD1 3.77Å; Q327-L353 HydrophobicContact CG-CD2 4.16Å; Q327-L353 HydrophobicContact CG-CG 3.56Å
328L96.7Very high92.2Very high0 Ų054.4 Ų54.40%027%0.265CS..Hα-helixtrans-64.2-43.7175.4-161.170.3000111.6L290 Y294 E324 F325 V326 H331 F332 L353 L357 I361L290-L328 HydrophobicContact CD1-CD2 3.65Å; L290-L328 HydrophobicContact CD1-CG 3.9Å; L290-L328 HydrophobicContact CG-CD2 4.41Å; Y294-L328 HydrophobicContact CD2-CD2 3.6Å; Y294-L328 HydrophobicContact CE2-CD2 4.32Å; Y294-L328 HydrophobicContact CG-CD2 3.83Å; E324-L328 WeakPolarHBondContact O-CB 3.49Å; E324-L328 PolarHBondContact O-N 3.05Å; F325-L328 WeakPolarHBondContact O-CB 3.44Å; F325-L328 PolarHBondContact O-N 2.89Å; V326-L328 VanDerWaalsContact C-N 3.26Å; V326-L328 PolarHBondContact O-N 2.87Å; L328-H331 WeakPolarHBondContact O-CB 3.49Å; L328-H331 PolarHBondContact O-N 3.48Å; L328-F332 HydrophobicContact CD1-CD2 4.18Å; L328-F332 HydrophobicContact CD1-CE2 3.64Å; L328-F332 HydrophobicContact CG-CD2 4.06Å; L328-F332 HydrophobicContact CG-CE2 3.99Å; L328-F332 WeakPolarHBondContact O-CD2 3.42Å; L328-F332 PolarHBondContact O-N 3.2Å; L328-F332 VanDerWaalsContact O-N 3.11Å; L328-L353 HydrophobicContact CB-CD2 4.25Å; L328-L353 HydrophobicContact CD1-CD1 4.03Å; L328-L353 HydrophobicContact CD1-CD2 4.03Å; L328-L357 HydrophobicContact CD1-CD1 4.37Å; L328-L357 HydrophobicContact CD1-CD2 4.08Å; L328-L357 HydrophobicContact CD1-CG 4.01Å; L328-I361 HydrophobicContact CD1-CG1 4.16Å; L328-I361 HydrophobicContact CD2-CD1 4.27Å; L328-I361 HydrophobicContact CD2-CG1 4.15Å
329V96.9Very high90.3Very high1 Ų155.2 Ų55.21%0.00628%0.279CS..Hα-helixtrans-59.8-47.2173.1173.30000110.5L203 L290 F325 V326 H331 F332 F333 I370 I373L203-V329 HydrophobicContact CD1-CG1 4.38Å; L203-V329 HydrophobicContact CD1-CG2 4.28Å; L203-V329 HydrophobicContact CD2-CG1 4.22Å; L290-V329 HydrophobicContact CD2-CG2 3.94Å; F325-V329 HydrophobicContact CD1-CG2 4.07Å; F325-V329 HydrophobicContact CE1-CG2 3.61Å; F325-V329 HydrophobicContact CZ-CG2 3.94Å; F325-V329 WeakPolarHBondContact O-CG2 3.32Å; F325-V329 PolarHBondContact O-N 2.99Å; V326-V329 PolarHBondContact O-N 3.29Å; V329-H331 PolarHBondContact O-N 2.78Å; V329-F332 PolarHBondContact O-N 2.88Å; V329-F333 HydrophobicContact CG1-CD2 4.15Å; V329-F333 WeakPolarHBondContact O-CA 3.25Å; V329-F333 WeakPolarHBondContact O-CB 3.27Å; V329-F333 PolarHBondContact O-N 2.75Å; V329-I370 HydrophobicContact CG1-CD1 3.49Å; V329-I370 VanDerWaalsContact CG1-CD1 3.49Å; V329-I373 HydrophobicContact CB-CD1 4.4Å; V329-I373 HydrophobicContact CG1-CD1 3.86Å
330Q94.3Very high88.6Confident42 Ų4258.5 Ų58.520%0.19630%0.295CS..Hα-helixtrans-61.8-31.3177.3-73.8177.4-52.100113.2V326 Q327 P334 F342V326-Q330 WeakPolarHBondContact O-CG 3.22Å; V326-Q330 PolarHBondContact O-N 3.1Å; Q327-Q330 PolarHBondContact O-N 3.06Å; Q330-P334 VanDerWaalsContact O-CA 3.28Å; Q330-P334 WeakPolarHBondContact O-CA 3.12Å; Q330-F342 HydrophobicContact CG-CD1 3.84Å; Q330-F342 HydrophobicContact CG-CE1 3.57Å
331H94.8Very high87.7Confident67 Ų6757.9 Ų57.931%0.3130%0.296SS..Hα-helixtrans-70.7-45.9177.8-17861.5000112.2Q327 L328 V329 L353Q327-H331 PolarHBondContact O-N 3.32Å; L328-H331 WeakPolarHBondContact O-CB 3.49Å; L328-H331 PolarHBondContact O-N 3.48Å; V329-H331 PolarHBondContact O-N 2.78Å; H331-L353 HydrophobicContact CB-CD1 3.84Å
332F96.7Very high87.3Confident5 Ų557 Ų572%0.02229%0.292CS..Hα-helixtrans-89.4-14-178.2-66.9-67.9000114L290 L328 V329 I361 L363 P365 V366L290-F332 HydrophobicContact CD1-CD2 3.69Å; L290-F332 HydrophobicContact CD1-CE2 4.14Å; L290-F332 HydrophobicContact CD1-CG 4.49Å; L328-F332 HydrophobicContact CD1-CD2 4.18Å; L328-F332 HydrophobicContact CD1-CE2 3.64Å; L328-F332 HydrophobicContact CG-CD2 4.06Å; L328-F332 HydrophobicContact CG-CE2 3.99Å; L328-F332 WeakPolarHBondContact O-CD2 3.42Å; L328-F332 PolarHBondContact O-N 3.2Å; L328-F332 VanDerWaalsContact O-N 3.11Å; V329-F332 PolarHBondContact O-N 2.88Å; F332-I361 HydrophobicContact CD2-CG2 3.93Å; F332-I361 HydrophobicContact CE1-CG2 4.12Å; F332-I361 HydrophobicContact CE2-CB 3.61Å; F332-I361 HydrophobicContact CE2-CG1 4.06Å; F332-I361 HydrophobicContact CE2-CG2 3.29Å; F332-I361 HydrophobicContact CZ-CB 3.54Å; F332-I361 HydrophobicContact CZ-CG1 4.4Å; F332-I361 HydrophobicContact CZ-CG2 3.41Å; F332-I361 VanDerWaalsContact CZ-CG2 3.41Å; F332-L363 HydrophobicContact CD1-CB 3.72Å; F332-L363 VanDerWaalsContact CD1-O 3.29Å; F332-L363 WeakPolarHBondContact CD1-O 3.41Å; F332-L363 HydrophobicContact CE1-CB 3.97Å; F332-L363 WeakPolarHBondContact CE1-O 3.49Å; F332-L363 HydrophobicContact CG-CB 4.31Å; F332-P365 CarbonylContact O-C 3.52Å; F332-P365 VanDerWaalsContact O-CA 3.3Å; F332-P365 WeakPolarHBondContact O-CA 3.26Å; F332-V366 PolarHBondContact O-N 2.83Å
333F95.7Very high86.9Confident3 Ų358.8 Ų58.81%0.01330%0.301CS..SBendtrans-132.268175-57.4-86.1000109.6V283 Q286 I287 L290 V329 V366 I370V283-F333 HydrophobicContact CG1-CD1 4.32Å; V283-F333 HydrophobicContact CG1-CE1 3.91Å; Q286-F333 HydrophobicContact CB-CE1 3.97Å; Q286-F333 HydrophobicContact CB-CZ 3.71Å; I287-F333 HydrophobicContact CG1-CE1 4.29Å; I287-F333 HydrophobicContact CG1-CE2 4.02Å; I287-F333 HydrophobicContact CG1-CZ 3.7Å; L290-F333 HydrophobicContact CD2-CD2 4.38Å; L290-F333 HydrophobicContact CD2-CE2 3.85Å; V329-F333 HydrophobicContact CG1-CD2 4.15Å; V329-F333 WeakPolarHBondContact O-CA 3.25Å; V329-F333 WeakPolarHBondContact O-CB 3.27Å; V329-F333 PolarHBondContact O-N 2.75Å; F333-V366 HydrophobicContact CD1-CB 3.89Å; F333-V366 HydrophobicContact CE1-CB 4.02Å; F333-V366 HydrophobicContact CE1-CG2 4.22Å; F333-I370 HydrophobicContact CB-CB 4.37Å; F333-I370 HydrophobicContact CB-CD1 3.76Å; F333-I370 HydrophobicContact CB-CG1 4.1Å; F333-I370 HydrophobicContact CD1-CD1 4.18Å; F333-I370 HydrophobicContact CD1-CG1 4.24Å; F333-I370 HydrophobicContact CD2-CD1 3.87Å; F333-I370 HydrophobicContact CG-CD1 3.67Å; F333-I370 HydrophobicContact CG-CG1 4.13Å
334P93.4Very high86.7Confident40 Ų4061.4 Ų61.426%0.2631%0.309SS..  trans-64.1135.4-173.523.2-30.7000111.6Q330 P365 P367 K368Q330-P334 VanDerWaalsContact O-CA 3.28Å; Q330-P334 WeakPolarHBondContact O-CA 3.12Å; P334-P365 HydrophobicContact CG-CB 4.42Å; P334-P367 HydrophobicContact CG-CB 4.11Å; P334-P367 HydrophobicContact CG-CG 4.05Å; P334-K368 PolarHBondContact O-N 3.46Å; P334-K368 VanDerWaalsContact O-N 3.09Å
335P88.3Confident86.6Confident46 Ų4661 Ų6130%0.29932%0.32SS..  trans-69.8160.2178.129.1-34.7000112.1F342P335-F342 HydrophobicContact CB-CB 4.31Å; P335-F342 HydrophobicContact CB-CD2 3.58Å; P335-F342 HydrophobicContact CB-CE2 3.93Å; P335-F342 HydrophobicContact CB-CG 3.89Å; P335-F342 HydrophobicContact CG-CD2 4.4Å; P335-F342 HydrophobicContact CG-CG 4.26Å
336D76.5Confident86.4Confident102 Ų10262.8 Ų62.855%0.54533%0.329SS..SBendtrans-77.6-28.1-173.1-148.87.8000114.2K368D336-K368 HydrophobicContact CB-CD 4.37Å; D336-K368 HydrophobicContact CB-CG 4.09Å; D336-K368 WeakPolarHBondContact OD1-CE 3.08Å; D336-K368 IonicContact OD1-NZ 2.71Å; D336-K368 PolarHBondContact OD1-NZ 3.33Å; D336-K368 VanDerWaalsContact OD2-CD 3.32Å; D336-K368 WeakPolarHBondContact OD2-CD 3.41Å; D336-K368 VanDerWaalsContact OD2-CE 3.31Å; D336-K368 WeakPolarHBondContact OD2-CE 3.23Å; D336-K368 IonicContact OD2-NZ 3.72Å; D336-K368 PolarHBondContact OD2-NZ 3.49Å
337R66.4Low86.3Confident220 Ų22068.7 Ų68.783%0.8337%0.367SS*.SBendtrans-146162.9178.3-66.8-171.7178.8-174.4-0.9111.3G339R337-G339 PolarHBondContact O-N 3.03Å
338N59.5Low86.1Confident152 Ų15267.5 Ų67.581%0.81336%0.364SS*.  trans-25115.4177.5-70.3-9.1000111.7E340N338-E340 PolarHBondContact O-N 2.94Å
339G59.1Low85.8Confident44 Ų4475.8 Ų75.845%0.45440%0.4SS..G310 helixtrans-64.219.4-162.200000117.9R337 D341 F342R337-G339 PolarHBondContact O-N 3.03Å; G339-D341 PolarHBondContact O-N 3.26Å; G339-F342 PolarHBondContact O-N 2.87Å
340E62Low85.2Confident177 Ų17779.1 Ų79.183%0.82744%0.435SS*.G310 helixtrans-62.9-18-176.4-67.8-167.6152.100113.9N338N338-E340 PolarHBondContact O-N 2.94Å
341D78.9Confident85Confident125 Ų12578.6 Ų78.667%0.66844%0.438SS*.G310 helixtrans-124.37.7175.4-75.2-47.1000114.3G339 K344G339-D341 PolarHBondContact O-N 3.26Å; D341-K344 VanDerWaalsContact O-CE 3.25Å; D341-K344 WeakPolarHBondContact O-CE 3.47Å
342F88.8Confident84.8Confident8 Ų880 Ų804%0.03546%0.46CS..THydrogen-bonded Turntrans-74.4-31-175.8-173.1-111.6000112.5Q330 P335 G339 I370 Y372 I373Q330-F342 HydrophobicContact CG-CD1 3.84Å; Q330-F342 HydrophobicContact CG-CE1 3.57Å; P335-F342 HydrophobicContact CB-CB 4.31Å; P335-F342 HydrophobicContact CB-CD2 3.58Å; P335-F342 HydrophobicContact CB-CE2 3.93Å; P335-F342 HydrophobicContact CB-CG 3.89Å; P335-F342 HydrophobicContact CG-CD2 4.4Å; P335-F342 HydrophobicContact CG-CG 4.26Å; G339-F342 PolarHBondContact O-N 2.87Å; F342-I370 HydrophobicContact CE2-CB 4.35Å; F342-I370 HydrophobicContact CE2-CG2 3.97Å; F342-I370 WeakPolarHBondContact CE2-O 3.48Å; F342-I370 HydrophobicContact CZ-CB 4.21Å; F342-I370 HydrophobicContact CZ-CG2 3.89Å; F342-Y372 CarbonylContact O-C 3.56Å; F342-Y372 WeakPolarHBondContact O-CA 3.15Å; F342-Y372 WeakPolarHBondContact O-CB 3.4Å; F342-I373 HydrophobicContact CD1-CD1 4.39Å; F342-I373 HydrophobicContact CD1-CG1 4.46Å; F342-I373 HydrophobicContact CE1-CD1 3.7Å; F342-I373 HydrophobicContact CE1-CG1 3.91Å; F342-I373 HydrophobicContact CZ-CD1 4.26Å; F342-I373 HydrophobicContact CZ-CG1 4.15Å; F342-I373 PolarHBondContact O-N 3.14Å
343I92Very high84.6Confident50 Ų5080.8 Ų80.826%0.25647%0.465SS..EExtended strand (participates in β ladder)trans-116.7118.3177.5-57.2163.7000107.9V326 V348V326-I343 HydrophobicContact CG1-CD1 3.47Å; V326-I343 VanDerWaalsContact CG1-CD1 3.47Å; V326-I343 HydrophobicContact CG1-CG1 4.16Å; I343-V348 HydrophobicContact CG2-CB 4.36Å; I343-V348 HydrophobicContact CG2-CG2 3.84Å
344K92.6Very high84.6Confident89 Ų8983.2 Ų83.239%0.38748%0.482SS..EExtended strand (participates in β ladder)trans-112.7155.2179.9-58.6-179.5-178.1178.50110.1D341 Y372 I373 S375D341-K344 VanDerWaalsContact O-CE 3.25Å; D341-K344 WeakPolarHBondContact O-CE 3.47Å; K344-Y372 HydrophobicContact CD-CD2 3.9Å; K344-Y372 HydrophobicContact CD-CE2 4.32Å; K344-Y372 HydrophobicContact CD-CG 4.38Å; K344-I373 PolarHBondContact N-O 3.39Å; K344-S375 PolarHBondContact O-N 2.84Å
345G94.3Very high84.6Confident48 Ų4888.4 Ų88.450%0.49551%0.505SS..EExtended strand (participates in β ladder)trans89.9-131.2176.300000113.2Q49Q49-G345 VanDerWaalsContact CG-CA 3.5Å
346L95.7Very high85Confident36 Ų3691.7 Ų91.719%0.18852%0.516CS..SBendtrans-62.6134.3-178.1-66.4175.5000110.9V348 S375 K377L346-V348 PolarHBondContact O-N 2.84Å; L346-S375 PolarHBondContact N-O 2.84Å; L346-S375 WeakPolarHBondContact O-CB 3.04Å; L346-S375 PolarHBondContact O-OG 2.78Å; L346-K377 HydrophobicContact CD1-CB 4.11Å; L346-K377 HydrophobicContact CD1-CD 4.36Å; L346-K377 HydrophobicContact CD1-CG 4.11Å
347P93.3Very high85.9Confident127 Ų12786.8 Ų86.883%0.82549%0.49SS*.  trans-63.5136.2-178.726.5-34.2000110.8
348V92.2Very high87.3Confident35 Ų3579.8 Ų79.821%0.21247%0.465CS..  trans-110.8123.1176.9179.90000108.3V322 V326 I343 L346V322-V348 HydrophobicContact CG1-CG1 3.97Å; V322-V348 HydrophobicContact CG1-CG2 3.86Å; V326-V348 HydrophobicContact CB-CG1 3.96Å; V326-V348 HydrophobicContact CG1-CG1 4.05Å; V326-V348 HydrophobicContact CG2-CG1 4.1Å; V326-V348 HydrophobicContact CG2-CG2 4.4Å; I343-V348 HydrophobicContact CG2-CB 4.36Å; I343-V348 HydrophobicContact CG2-CG2 3.84Å; L346-V348 PolarHBondContact O-N 2.84Å
349K90.3Very high89Confident175 Ų17579.8 Ų79.876%0.76146%0.46SS*.  trans-69145.2173.9-64.8-176.3179.6-177.90109.3P323P323-K349 WeakPolarHBondContact CB-O 3.34Å; P323-K349 HydrophobicContact CG-CB 4.36Å
350G85.4Confident90.7Very high71 Ų7182 Ų8273%0.73246%0.462SS*.  trans-64.7146.9169.600000111.3
351A89.5Confident92.4Very high31 Ų3173.6 Ų73.626%0.25642%0.423SS..  trans-132.6147.9172.700000109.6P323 Q327P323-A351 HydrophobicContact CB-CB 3.85Å; Q327-A351 WeakPolarHBondContact CG-O 3.34Å
352A90.5Very high93Very high95 Ų9570 Ų7079%0.78542%0.415SS*.PPolyproline II helixtrans-85.6130.5171.300000109.4
353L93.3Very high93.3Very high22 Ų2270.5 Ų70.512%0.11542%0.418CS..PPolyproline II helixtrans-90.1126.1171.7-64.9177.2000109.9E324 Q327 L328 H331 L357 K358E324-L353 HydrophobicContact CG-CD2 4.2Å; Q327-L353 HydrophobicContact CB-CD1 4.34Å; Q327-L353 HydrophobicContact CB-CD2 4.1Å; Q327-L353 HydrophobicContact CB-CG 4.07Å; Q327-L353 HydrophobicContact CG-CD1 3.77Å; Q327-L353 HydrophobicContact CG-CD2 4.16Å; Q327-L353 HydrophobicContact CG-CG 3.56Å; L328-L353 HydrophobicContact CB-CD2 4.25Å; L328-L353 HydrophobicContact CD1-CD1 4.03Å; L328-L353 HydrophobicContact CD1-CD2 4.03Å; H331-L353 HydrophobicContact CB-CD1 3.84Å; L353-L357 HydrophobicContact CD2-CD2 3.82Å; L353-K358 HydrophobicContact CB-CD 4.47Å; L353-K358 HydrophobicContact CB-CG 4.3Å; L353-K358 HydrophobicContact CD1-CG 4.5Å
354S94.4Very high93.4Very high54 Ų5476.1 Ų76.138%0.37844%0.443SS..PPolyproline II helixtrans-63.7149.6172.373.50000110.9E356 L357 K358S354-E356 VanDerWaalsContact C-N 3.25Å; S354-E356 PolarHBondContact O-N 2.93Å; S354-L357 PolarHBondContact O-N 2.89Å; S354-L357 WeakPolarHBondContact OG-CB 3.45Å; S354-L357 PolarHBondContact OG-N 2.83Å; S354-K358 PolarHBondContact O-N 3.42Å
355M94.1Very high93.5Very high149 Ų14975.4 Ų75.473%0.73445%0.447SS*.Hα-helixtrans-62.8-37.5174.4-68.3-170.9-146.900111.4L357 K358 Q359M355-L357 PolarHBondContact O-N 3.45Å; M355-K358 PolarHBondContact O-N 3.21Å; M355-Q359 WeakPolarHBondContact O-CB 3.38Å; M355-Q359 WeakPolarHBondContact O-CG 3.39Å; M355-Q359 PolarHBondContact O-N 3.19Å
356E96Very high93.5Very high115 Ų11575.2 Ų75.254%0.53744%0.436SS..Hα-helixtrans-59.7-44177.7-173.5-172.4-174.600112Y297 S354 Q359 N360Y297-E356 HydrophobicContact CE2-CG 4.09Å; Y297-E356 PolarHBondContact OH-OE2 2.89Å; S354-E356 VanDerWaalsContact C-N 3.25Å; S354-E356 PolarHBondContact O-N 2.93Å; E356-Q359 PolarHBondContact O-N 2.78Å; E356-N360 WeakPolarHBondContact O-CB 3.42Å; E356-N360 PolarHBondContact O-N 2.76Å; E356-N360 PolarHBondContact O-ND2 3.48Å
357L95.8Very high93.4Very high0 Ų077.4 Ų77.40%045%0.453CS..Hα-helixtrans-60.9-49.3175.5169.957.8000110.4Y294 Y297 E324 L328 L353 S354 M355 Q359 N360 I361Y294-L357 HydrophobicContact CD2-CD1 3.95Å; Y294-L357 HydrophobicContact CE2-CD1 4.38Å; Y297-L357 HydrophobicContact CD1-CB 4.46Å; Y297-L357 HydrophobicContact CD1-CD1 3.39Å; Y297-L357 HydrophobicContact CD1-CG 4.42Å; Y297-L357 HydrophobicContact CE1-CB 3.86Å; Y297-L357 HydrophobicContact CE1-CD1 3.65Å; Y297-L357 HydrophobicContact CE1-CG 4.22Å; Y297-L357 HydrophobicContact CG-CD1 3.94Å; E324-L357 HydrophobicContact CG-CD2 4.25Å; L328-L357 HydrophobicContact CD1-CD1 4.37Å; L328-L357 HydrophobicContact CD1-CD2 4.08Å; L328-L357 HydrophobicContact CD1-CG 4.01Å; L353-L357 HydrophobicContact CD2-CD2 3.82Å; S354-L357 PolarHBondContact O-N 2.89Å; S354-L357 WeakPolarHBondContact OG-CB 3.45Å; S354-L357 PolarHBondContact OG-N 2.83Å; M355-L357 PolarHBondContact O-N 3.45Å; L357-Q359 VanDerWaalsContact C-N 3.32Å; L357-Q359 PolarHBondContact O-N 2.93Å; L357-N360 PolarHBondContact O-N 3.11Å; L357-I361 HydrophobicContact CD1-CD1 4.13Å; L357-I361 HydrophobicContact CD1-CG1 3.89Å; L357-I361 WeakPolarHBondContact O-CG1 3.42Å; L357-I361 PolarHBondContact O-N 2.8Å
358K95.5Very high93.2Very high72 Ų7277.2 Ų77.231%0.31344%0.439SS..Hα-helixtrans-58.1-44.7179.3-65.2174.5-173.2177.60112L353 S354 M355 I361 G362L353-K358 HydrophobicContact CB-CD 4.47Å; L353-K358 HydrophobicContact CB-CG 4.3Å; L353-K358 HydrophobicContact CD1-CG 4.5Å; S354-K358 PolarHBondContact O-N 3.42Å; M355-K358 PolarHBondContact O-N 3.21Å; K358-I361 PolarHBondContact O-N 3.31Å; K358-G362 PolarHBondContact O-N 2.84Å
359Q94.9Very high93.1Very high152 Ų15275.9 Ų75.971%0.7143%0.432SS*.Hα-helixtrans-65.7-41.8178.7-72.6173.9-6.400112.1M355 E356 L357 G362M355-Q359 WeakPolarHBondContact O-CB 3.38Å; M355-Q359 WeakPolarHBondContact O-CG 3.39Å; M355-Q359 PolarHBondContact O-N 3.19Å; E356-Q359 PolarHBondContact O-N 2.78Å; L357-Q359 VanDerWaalsContact C-N 3.32Å; L357-Q359 PolarHBondContact O-N 2.93Å; Q359-G362 PolarHBondContact O-N 3.32Å
360N95.7Very high93.3Very high92 Ų9267.7 Ų67.749%0.49240%0.397SS..Hα-helixtrans-65.5-37.7176.5-90.9-83.8000112.7Y297 E356 L357Y297-N360 HydrophobicContact CD2-CB 3.59Å; Y297-N360 HydrophobicContact CE2-CB 4.18Å; Y297-N360 HydrophobicContact CG-CB 4.32Å; E356-N360 WeakPolarHBondContact O-CB 3.42Å; E356-N360 PolarHBondContact O-N 2.76Å; E356-N360 PolarHBondContact O-ND2 3.48Å; L357-N360 PolarHBondContact O-N 3.11Å
361I96.6Very high93.6Very high0 Ų067.9 Ų67.90%038%0.381CS..Hα-helixtrans-67.4-45.6173.2-60.1-57.1000110.4L290 R293 Y294 L328 F332 L357 K358 L363L290-I361 HydrophobicContact CD1-CG2 3.6Å; R293-I361 VanDerWaalsContact C-CD1 3.44Å; R293-I361 HydrophobicContact CB-CD1 3.67Å; R293-I361 HydrophobicContact CB-CG2 4.48Å; R293-I361 WeakPolarHBondContact CD-O 3.46Å; R293-I361 PolarHBondContact NH1-O 3.04Å; Y294-I361 VanDerWaalsContact N-CD1 3.31Å; L328-I361 HydrophobicContact CD1-CG1 4.16Å; L328-I361 HydrophobicContact CD2-CD1 4.27Å; L328-I361 HydrophobicContact CD2-CG1 4.15Å; F332-I361 HydrophobicContact CD2-CG2 3.93Å; F332-I361 HydrophobicContact CE1-CG2 4.12Å; F332-I361 HydrophobicContact CE2-CB 3.61Å; F332-I361 HydrophobicContact CE2-CG1 4.06Å; F332-I361 HydrophobicContact CE2-CG2 3.29Å; F332-I361 HydrophobicContact CZ-CB 3.54Å; F332-I361 HydrophobicContact CZ-CG1 4.4Å; F332-I361 HydrophobicContact CZ-CG2 3.41Å; F332-I361 VanDerWaalsContact CZ-CG2 3.41Å; L357-I361 HydrophobicContact CD1-CD1 4.13Å; L357-I361 HydrophobicContact CD1-CG1 3.89Å; L357-I361 WeakPolarHBondContact O-CG1 3.42Å; L357-I361 PolarHBondContact O-N 2.8Å; K358-I361 PolarHBondContact O-N 3.31Å; I361-L363 HydrophobicContact CG2-CB 4.3Å; I361-L363 HydrophobicContact CG2-CD1 3.99Å; I361-L363 HydrophobicContact CG2-CG 3.91Å; I361-L363 PolarHBondContact O-N 2.64Å
362G92.8Very high93.7Very high48 Ų4868 Ų6850%0.49538%0.375SS..  trans52.235.3168.700000115.3R293 K358 Q359R293-G362 VanDerWaalsContact NH1-C 3.31Å; R293-G362 PolarHBondContact NH1-O 3.14Å; K358-G362 PolarHBondContact O-N 2.84Å; Q359-G362 PolarHBondContact O-N 3.32Å
363L94.5Very high93.9Very high19 Ų1963.4 Ų63.410%0.09934%0.338CS..PPolyproline II helixtrans-92146.5171.7-68.7176.5000109.7H289 L290 R293 F332 I361H289-L363 HydrophobicContact CB-CD1 4.39Å; H289-L363 HydrophobicContact CB-CD2 4.17Å; L290-L363 HydrophobicContact CB-CD1 3.82Å; L290-L363 HydrophobicContact CD1-CD1 4.22Å; R293-L363 VanDerWaalsContact CZ-CD2 3.48Å; F332-L363 HydrophobicContact CD1-CB 3.72Å; F332-L363 VanDerWaalsContact CD1-O 3.29Å; F332-L363 WeakPolarHBondContact CD1-O 3.41Å; F332-L363 HydrophobicContact CE1-CB 3.97Å; F332-L363 WeakPolarHBondContact CE1-O 3.49Å; F332-L363 HydrophobicContact CG-CB 4.31Å; I361-L363 HydrophobicContact CG2-CB 4.3Å; I361-L363 HydrophobicContact CG2-CD1 3.99Å; I361-L363 HydrophobicContact CG2-CG 3.91Å; I361-L363 PolarHBondContact O-N 2.64Å
364E94.1Very high94Very high168 Ų16862.9 Ų62.979%0.78534%0.335SS*.PPolyproline II helixtrans-71.8133.7168.4-67.3-173.9168.700109.2
365P95.1Very high94.1Very high74 Ų7460.4 Ų60.448%0.48132%0.318SS..PPolyproline II helixtrans-59.4140.3175.3-24.634.3000111.6F332 P334 P367F332-P365 CarbonylContact O-C 3.52Å; F332-P365 VanDerWaalsContact O-CA 3.3Å; F332-P365 WeakPolarHBondContact O-CA 3.26Å; P334-P365 HydrophobicContact CG-CB 4.42Å; P365-P367 VanDerWaalsContact O-CD 3.29Å; P365-P367 WeakPolarHBondContact O-CD 3.47Å
366V94.8Very high94.3Very high44 Ų4453.3 Ų53.327%0.26728%0.283SS..  trans-115.283.7174.8-172.90000108.5V283 Q286 F332 F333 K368 G369V283-V366 HydrophobicContact CG2-CG1 4.42Å; Q286-V366 HydrophobicContact CG-CG2 4.28Å; F332-V366 PolarHBondContact O-N 2.83Å; F333-V366 HydrophobicContact CD1-CB 3.89Å; F333-V366 HydrophobicContact CE1-CB 4.02Å; F333-V366 HydrophobicContact CE1-CG2 4.22Å; V366-K368 PolarHBondContact O-N 3.07Å; V366-G369 PolarHBondContact O-N 2.92Å; V366-G369 VanDerWaalsContact O-N 3.13Å
367P92.1Very high94.4Very high83 Ų8351.3 Ų51.354%0.53927%0.272SS..THydrogen-bonded Turntrans-55.3139.3177.5-22.332.1000111.1P334 P365 G369P334-P367 HydrophobicContact CG-CB 4.11Å; P334-P367 HydrophobicContact CG-CG 4.05Å; P365-P367 VanDerWaalsContact O-CD 3.29Å; P365-P367 WeakPolarHBondContact O-CD 3.47Å; P367-G369 PolarHBondContact O-N 2.79Å
368K88.8Confident94.5Very high122 Ų12251.7 Ų51.753%0.5328%0.275SS..THydrogen-bonded Turntrans60.212.6-179.3-38.3-178.6-165.2-142.30114.8P334 D336 V366 I370P334-K368 PolarHBondContact O-N 3.46Å; P334-K368 VanDerWaalsContact O-N 3.09Å; D336-K368 HydrophobicContact CB-CD 4.37Å; D336-K368 HydrophobicContact CB-CG 4.09Å; D336-K368 WeakPolarHBondContact OD1-CE 3.08Å; D336-K368 IonicContact OD1-NZ 2.71Å; D336-K368 PolarHBondContact OD1-NZ 3.33Å; D336-K368 VanDerWaalsContact OD2-CD 3.32Å; D336-K368 WeakPolarHBondContact OD2-CD 3.41Å; D336-K368 VanDerWaalsContact OD2-CE 3.31Å; D336-K368 WeakPolarHBondContact OD2-CE 3.23Å; D336-K368 IonicContact OD2-NZ 3.72Å; D336-K368 PolarHBondContact OD2-NZ 3.49Å; V366-K368 PolarHBondContact O-N 3.07Å; K368-I370 PolarHBondContact O-N 2.82Å
369G91.9Very high94.6Very high7 Ų748.3 Ų48.37%0.07226%0.261CS..SBendtrans-65.4-29.6175.400000112.4V283 V366 P367V283-G369 WeakPolarHBondContact CG1-O 3.26Å; V366-G369 PolarHBondContact O-N 2.92Å; V366-G369 VanDerWaalsContact O-N 3.13Å; P367-G369 PolarHBondContact O-N 2.79Å
370I93.8Very high94.8Very high3 Ų341.3 Ų41.32%0.01523%0.228CC..  trans-118.1129.7174.9-64.4169.6000107.9L203 V205 I287 V329 F333 F342 K368 Y372 I373L203-I370 HydrophobicContact CB-CD1 4.04Å; L203-I370 HydrophobicContact CB-CG1 4.45Å; L203-I370 HydrophobicContact CB-CG2 4.47Å; L203-I370 HydrophobicContact CD1-CD1 3.98Å; L203-I370 HydrophobicContact CD2-CD1 4.46Å; L203-I370 HydrophobicContact CG-CD1 4.38Å; V205-I370 HydrophobicContact CG2-CG1 4.49Å; I287-I370 HydrophobicContact CD1-CD1 4.2Å; I287-I370 HydrophobicContact CD1-CG1 4.41Å; V329-I370 HydrophobicContact CG1-CD1 3.49Å; V329-I370 VanDerWaalsContact CG1-CD1 3.49Å; F333-I370 HydrophobicContact CB-CB 4.37Å; F333-I370 HydrophobicContact CB-CD1 3.76Å; F333-I370 HydrophobicContact CB-CG1 4.1Å; F333-I370 HydrophobicContact CD1-CD1 4.18Å; F333-I370 HydrophobicContact CD1-CG1 4.24Å; F333-I370 HydrophobicContact CD2-CD1 3.87Å; F333-I370 HydrophobicContact CG-CD1 3.67Å; F333-I370 HydrophobicContact CG-CG1 4.13Å; F342-I370 HydrophobicContact CE2-CB 4.35Å; F342-I370 HydrophobicContact CE2-CG2 3.97Å; F342-I370 WeakPolarHBondContact CE2-O 3.48Å; F342-I370 HydrophobicContact CZ-CB 4.21Å; F342-I370 HydrophobicContact CZ-CG2 3.89Å; K368-I370 PolarHBondContact O-N 2.82Å; I370-Y372 WeakPolarHBondContact CG2-O 3.2Å; I370-I373 HydrophobicContact CG2-CG1 4.33Å
371N91.2Very high94.9Very high76 Ų7637.6 Ų37.641%0.40621%0.212SC..SBendtrans-74.5-48.6176.5-67.7-26000111.1V204V204-N371 WeakPolarHBondContact O-CB 3.4Å; V204-N371 PolarHBondContact O-N 2.87Å
372Y91.9Very high95Very high32 Ų3238.3 Ų38.313%0.12522%0.217CC..EExtended strand (participates in β ladder)trans-165.1167.1176.456.4-88.7000110.9P122 V204 F342 K344 I370 I374P122-Y372 WeakPolarHBondContact CG-OH 3.26Å; V204-Y372 HydrophobicContact CB-CD1 4.47Å; V204-Y372 HydrophobicContact CB-CD2 4.31Å; V204-Y372 HydrophobicContact CB-CE1 4.21Å; V204-Y372 HydrophobicContact CB-CE2 4.06Å; V204-Y372 HydrophobicContact CB-CG 4.49Å; V204-Y372 WeakPolarHBondContact CB-O 3.5Å; V204-Y372 HydrophobicContact CG1-CE1 4.03Å; V204-Y372 HydrophobicContact CG1-CE2 4.48Å; V204-Y372 HydrophobicContact CG2-CD2 3.98Å; V204-Y372 HydrophobicContact CG2-CE1 4.49Å; V204-Y372 HydrophobicContact CG2-CE2 3.51Å; V204-Y372 PolarHBondContact N-O 3.08Å; F342-Y372 CarbonylContact O-C 3.56Å; F342-Y372 WeakPolarHBondContact O-CA 3.15Å; F342-Y372 WeakPolarHBondContact O-CB 3.4Å; K344-Y372 HydrophobicContact CD-CD2 3.9Å; K344-Y372 HydrophobicContact CD-CE2 4.32Å; K344-Y372 HydrophobicContact CD-CG 4.38Å; I370-Y372 WeakPolarHBondContact CG2-O 3.2Å; Y372-I374 HydrophobicContact CD2-CD1 4.48Å; Y372-I374 HydrophobicContact CD2-CG1 4Å; Y372-I374 HydrophobicContact CE2-CD1 3.81Å; Y372-I374 HydrophobicContact CE2-CG1 3.8Å
373I94.3Very high95.3Very high0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-111.8132.5177.5-54.8-176.9000108.7L201 V202 L203 V326 V329 F342 K344 I370L201-I373 HydrophobicContact CB-CG2 4.13Å; L201-I373 HydrophobicContact CD2-CG2 4.43Å; V202-I373 CarbonylContact O-C 3.58Å; V202-I373 VanDerWaalsContact O-CA 3.29Å; V202-I373 WeakPolarHBondContact O-CA 3.38Å; L203-I373 HydrophobicContact CD2-CB 4.26Å; L203-I373 HydrophobicContact CD2-CD1 3.69Å; L203-I373 HydrophobicContact CD2-CG1 3.59Å; L203-I373 HydrophobicContact CD2-CG2 3.92Å; V326-I373 HydrophobicContact CG1-CD1 4.31Å; V329-I373 HydrophobicContact CB-CD1 4.4Å; V329-I373 HydrophobicContact CG1-CD1 3.86Å; F342-I373 HydrophobicContact CD1-CD1 4.39Å; F342-I373 HydrophobicContact CD1-CG1 4.46Å; F342-I373 HydrophobicContact CE1-CD1 3.7Å; F342-I373 HydrophobicContact CE1-CG1 3.91Å; F342-I373 HydrophobicContact CZ-CD1 4.26Å; F342-I373 HydrophobicContact CZ-CG1 4.15Å; F342-I373 PolarHBondContact O-N 3.14Å; K344-I373 PolarHBondContact N-O 3.39Å; I370-I373 HydrophobicContact CG2-CG1 4.33Å
374I95.1Very high95.4Very high11 Ų1143.6 Ų43.66%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-104.4116.2166.2-56.8154.1000108.2Q49 L50 L127 L201 V202 V204 Y372Q49-I374 HydrophobicContact CB-CG2 4.27Å; L50-I374 HydrophobicContact CD1-CG2 4.28Å; L50-I374 HydrophobicContact CD2-CD1 4.12Å; L50-I374 HydrophobicContact CG-CG2 4.32Å; L127-I374 HydrophobicContact CD1-CD1 3.97Å; L201-I374 CarbonylContact C-O 3.48Å; L201-I374 WeakPolarHBondContact CA-O 3.42Å; V202-I374 HydrophobicContact CB-CB 4.12Å; V202-I374 HydrophobicContact CB-CD1 4.37Å; V202-I374 PolarHBondContact N-O 2.89Å; V202-I374 PolarHBondContact O-N 2.99Å; V204-I374 HydrophobicContact CG2-CD1 4.23Å; Y372-I374 HydrophobicContact CD2-CD1 4.48Å; Y372-I374 HydrophobicContact CD2-CG1 4Å; Y372-I374 HydrophobicContact CE2-CD1 3.81Å; Y372-I374 HydrophobicContact CE2-CG1 3.8Å
375S96.8Very high95.5Very high2 Ų236.5 Ų36.51%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-95.2120.4176.5-1780000110.4Q49 K344 L346Q49-S375 WeakPolarHBondContact CG-O 3.27Å; K344-S375 PolarHBondContact O-N 2.84Å; L346-S375 PolarHBondContact N-O 2.84Å; L346-S375 WeakPolarHBondContact O-CB 3.04Å; L346-S375 PolarHBondContact O-OG 2.78Å
376T97.8Very high95.4Very high0 Ų039.9 Ų39.90%021%0.208CC..EExtended strand (participates in β ladder)trans-145.1-172.6-179.4-166.50000111.7L45 Q49 I200L45-T376 HydrophobicContact CB-CG2 4.28Å; L45-T376 HydrophobicContact CD1-CG2 4.16Å; L45-T376 HydrophobicContact CD2-CG2 4.15Å; L45-T376 HydrophobicContact CG-CG2 4.43Å; Q49-T376 PolarHBondContact OE1-OG1 2.81Å; I200-T376 HydrophobicContact CB-CG2 3.94Å; I200-T376 HydrophobicContact CG2-CG2 4.4Å; I200-T376 PolarHBondContact N-O 3.38Å; I200-T376 PolarHBondContact O-N 2.94Å
377K98.4Very high95.3Very high73 Ų7340.9 Ų40.932%0.31721%0.212SC..EExtended strand (participates in β ladder)trans-142.5174.9-177.361.1176.2-176.4175.80110.3H46 I200 L346H46-K377 HydrophobicContact CB-CG 3.97Å; H46-K377 VanDerWaalsContact CD2-CE 3.43Å; H46-K377 WeakPolarHBondContact CD2-CE 3.48Å; H46-K377 PolarHBondContact N-O 2.8Å; I200-K377 VanDerWaalsContact CD1-C 3.49Å; L346-K377 HydrophobicContact CD1-CB 4.11Å; L346-K377 HydrophobicContact CD1-CD 4.36Å; L346-K377 HydrophobicContact CD1-CG 4.11Å
378A98.4Very high95.2Very high8 Ų840.8 Ų40.87%0.06621%0.212CC..BIsolated β-bridgetrans-58.4143.6169.400000110.7V43 T44 E192V43-A378 HydrophobicContact CG1-CB 4.08Å; T44-A378 CarbonylContact O-C 3.46Å; T44-A378 WeakPolarHBondContact O-CA 3.45Å; E192-A378 HydrophobicContact CB-CB 4.42Å
379G98.5Very high95.4Very high0 Ų039 Ų390%022%0.215CC..  trans-137.5164.2-168.800000115.4T44 G168 G169 E192T44-G379 WeakPolarHBondContact CG2-O 3.45Å; T44-G379 PolarHBondContact O-N 2.9Å; G168-G379 CarbonylContact C-O 3.51Å; G168-G379 WeakPolarHBondContact CA-O 3.09Å; G169-G379 PolarHBondContact N-O 3.13Å; E192-G379 WeakPolarHBondContact CB-O 3.39Å
380P98.5Very high95.4Very high5 Ų542.8 Ų42.83%0.03223%0.23CC..  trans-70.9160.817833.5-39.7000112.1P17 Q47 E192 R383P17-P380 WeakPolarHBondContact CG-O 3.3Å; Q47-P380 PolarHBondContact NE2-O 3.4Å; Q47-P380 VanDerWaalsContact NE2-O 3.12Å; E192-P380 WeakPolarHBondContact OE1-CA 3.28Å; E192-P380 VanDerWaalsContact OE1-CB 3.31Å; E192-P380 WeakPolarHBondContact OE1-CB 3.35Å; P380-R383 VanDerWaalsContact CB-NH2 3.32Å; P380-R383 VanDerWaalsContact CG-CZ 3.42Å; P380-R383 VanDerWaalsContact CG-NH2 3.26Å
381G98.3Very high95.5Very high15 Ų1544.2 Ų44.216%0.15524%0.237CC..  trans-68.4-173.8169.200000113.4Q47 G168Q47-G381 PolarHBondContact NE2-O 3.1Å; G168-G381 VanDerWaalsContact CA-N 3.3Å
382P98.4Very high95.8Very high14 Ų1441.9 Ų41.99%0.09122%0.224CC..  trans-56.7151.6-176.4-24.135.5000113.6T15 A16 Y139 S165 M166T15-P382 CarbonylContact O-C 3.55Å; T15-P382 WeakPolarHBondContact O-CA 3.42Å; T15-P382 WeakPolarHBondContact O-CB 3.31Å; A16-P382 HydrophobicContact CB-CB 4.21Å; A16-P382 HydrophobicContact CB-CG 4.08Å; Y139-P382 HydrophobicContact CD1-CB 3.59Å; Y139-P382 HydrophobicContact CD2-CB 3.76Å; Y139-P382 HydrophobicContact CD2-CG 4.22Å; Y139-P382 HydrophobicContact CE1-CB 3.95Å; Y139-P382 HydrophobicContact CE2-CB 4.09Å; Y139-P382 HydrophobicContact CG-CB 3.49Å; Y139-P382 VanDerWaalsContact CG-CB 3.49Å; Y139-P382 HydrophobicContact CG-CG 4.19Å; S165-P382 VanDerWaalsContact O-CD 3.26Å; S165-P382 WeakPolarHBondContact O-CD 3.33Å; S165-P382 WeakPolarHBondContact O-CG 3.48Å; M166-P382 VanDerWaalsContact C-CD 3.49Å; M166-P382 VanDerWaalsContact O-CD 3.25Å; M166-P382 WeakPolarHBondContact O-CD 3.13Å; M166-P382 HydrophobicContact SD-CG 4.47Å
383R97.9Very high96Very high123 Ų12340.4 Ų40.446%0.46422%0.219SC..EExtended strand (participates in β ladder)trans-137145.1-176.5-66.4-178.9174.4-174.5-7.4111.4C14 T15 P380C14-R383 CarbonylContact C-O 3.52Å; C14-R383 WeakPolarHBondContact CA-O 3.32Å; C14-R383 WeakPolarHBondContact CB-O 3.3Å; T15-R383 PolarHBondContact N-O 2.94Å; T15-R383 PolarHBondContact O-N 3.23Å; P380-R383 VanDerWaalsContact CB-NH2 3.32Å; P380-R383 VanDerWaalsContact CG-CZ 3.42Å; P380-R383 VanDerWaalsContact CG-NH2 3.26Å
384V97.9Very high96Very high55 Ų5541.7 Ų41.733%0.33323%0.228SC..EExtended strand (participates in β ladder)trans-74144167.3-176.90000108.6Y139 Q143Y139-V384 HydrophobicContact CE1-CG2 4.15Å; Q143-V384 HydrophobicContact CG-CG2 3.96Å
385V96.6Very high95.8Very high19 Ų1944.5 Ų44.512%0.11525%0.253CS..  trans-101.9110.6173.6-179.50000108.1T13 T15 Q390T13-V385 HydrophobicContact CG2-CB 3.91Å; T13-V385 HydrophobicContact CG2-CG2 3.92Å; T13-V385 PolarHBondContact O-N 3.21Å; T15-V385 HydrophobicContact CG2-CG2 3.73Å; V385-Q390 HydrophobicContact CG1-CB 3.71Å; V385-Q390 HydrophobicContact CG1-CG 4.31Å
386D92.4Very high95.5Very high145 Ų14550.5 Ų50.578%0.77528%0.28SS*.  trans-78.5-22-175.1-57.6-42.9000113.3P388D386-P388 VanDerWaalsContact O-CD 3.22Å; D386-P388 WeakPolarHBondContact O-CD 3.3Å
387D92.7Very high95.2Very high65 Ų6550.5 Ų50.535%0.34828%0.28SS..  trans-81.7110.5-178.7172.99.1000111.3S389 Q390D387-S389 PolarHBondContact O-N 2.79Å; D387-S389 VanDerWaalsContact O-N 3.13Å; D387-S389 VanDerWaalsContact OD1-CB 3.25Å; D387-S389 WeakPolarHBondContact OD1-CB 3.23Å; D387-S389 PolarHBondContact OD1-N 2.93Å; D387-S389 PolarHBondContact OD1-OG 3.39Å; D387-S389 PolarHBondContact OD2-OG 3.16Å; D387-Q390 HydrophobicContact CB-CG 4.44Å; D387-Q390 WeakPolarHBondContact O-CB 3.19Å; D387-Q390 PolarHBondContact O-N 3.23Å; D387-Q390 VanDerWaalsContact O-N 3.09Å; D387-Q390 PolarHBondContact OD2-NE2 3.49Å
388P89.7Confident95Very high82 Ų8250.6 Ų50.653%0.53228%0.284SS..G310 helixtrans-66.3-18.2-176.3-21.435.4000114.1D386 Q390 H391D386-P388 VanDerWaalsContact O-CD 3.22Å; D386-P388 WeakPolarHBondContact O-CD 3.3Å; P388-Q390 PolarHBondContact O-N 2.97Å; P388-H391 WeakPolarHBondContact CA-NE2 3.27Å; P388-H391 WeakPolarHBondContact O-CB 3.46Å; P388-H391 PolarHBondContact O-CD2 3.48Å; P388-H391 VanDerWaalsContact O-CG 3.29Å; P388-H391 PolarHBondContact O-N 2.79Å
389S92.3Very high94.9Very high84 Ų8452.2 Ų52.259%0.58729%0.294SS*.G310 helixtrans-63.1-27.9176.277.90000111.4D387 H391 K400D387-S389 PolarHBondContact O-N 2.79Å; D387-S389 VanDerWaalsContact O-N 3.13Å; D387-S389 VanDerWaalsContact OD1-CB 3.25Å; D387-S389 WeakPolarHBondContact OD1-CB 3.23Å; D387-S389 PolarHBondContact OD1-N 2.93Å; D387-S389 PolarHBondContact OD1-OG 3.39Å; D387-S389 PolarHBondContact OD2-OG 3.16Å; S389-H391 VanDerWaalsContact C-N 3.33Å; S389-H391 PolarHBondContact O-N 2.83Å; S389-K400 PolarHBondContact O-NZ 3.42Å; S389-K400 VanDerWaalsContact O-NZ 3.11Å
390Q92.8Very high94.6Very high86 Ų8656 Ų5640%0.40231%0.31SS..G310 helixtrans-83.8-2.1179.9-65.1-176.65700114.1V385 D387 P388 L392V385-Q390 HydrophobicContact CG1-CB 3.71Å; V385-Q390 HydrophobicContact CG1-CG 4.31Å; D387-Q390 HydrophobicContact CB-CG 4.44Å; D387-Q390 WeakPolarHBondContact O-CB 3.19Å; D387-Q390 PolarHBondContact O-N 3.23Å; D387-Q390 VanDerWaalsContact O-N 3.09Å; D387-Q390 PolarHBondContact OD2-NE2 3.49Å; P388-Q390 PolarHBondContact O-N 2.97Å; Q390-L392 PolarHBondContact O-N 2.8Å
391H95.8Very high93.4Very high34 Ų3465.6 Ų65.616%0.15735%0.352CS..  trans-58.2135.7170.1-63.8-30.2000110.6I11 T13 T55 P388 S389 K400I11-H391 HydrophobicContact CG2-CB 4.35Å; T13-H391 WeakPolarHBondContact OG1-CA 3.47Å; T13-H391 PolarHBondContact OG1-ND1 2.83Å; T55-H391 HydrophobicContact CG2-CB 4.28Å; P388-H391 WeakPolarHBondContact CA-NE2 3.27Å; P388-H391 WeakPolarHBondContact O-CB 3.46Å; P388-H391 PolarHBondContact O-CD2 3.48Å; P388-H391 VanDerWaalsContact O-CG 3.29Å; P388-H391 PolarHBondContact O-N 2.79Å; S389-H391 VanDerWaalsContact C-N 3.33Å; S389-H391 PolarHBondContact O-N 2.83Å; H391-K400 VanDerWaalsContact O-CD 3.23Å; H391-K400 WeakPolarHBondContact O-CD 3.34Å; H391-K400 WeakPolarHBondContact O-CE 3.37Å; H391-K400 PolarHBondContact O-NZ 2.96Å
392L96.9Very high91.4Very high26 Ų2669.3 Ų69.314%0.13637%0.371CS..SBendtrans-86.2-13.4177.8-57.1171.5000112.6T53 T55 C116 V118 Q390 K400T53-L392 HydrophobicContact CG2-CD1 4Å; T53-L392 HydrophobicContact CG2-CG 4.31Å; T53-L392 WeakPolarHBondContact O-CD1 3.3Å; T55-L392 WeakPolarHBondContact OG1-CB 3.28Å; T55-L392 WeakPolarHBondContact OG1-CG 3.46Å; T55-L392 PolarHBondContact OG1-N 3.19Å; C116-L392 HydrophobicContact CB-CB 3.88Å; C116-L392 WeakPolarHBondContact O-CD1 3.41Å; V118-L392 HydrophobicContact CG1-CD1 4.27Å; V118-L392 HydrophobicContact CG1-CD2 4.36Å; V118-L392 HydrophobicContact CG2-CD1 3.87Å; V118-L392 HydrophobicContact CG2-CD2 3.86Å; Q390-L392 PolarHBondContact O-N 2.8Å; L392-K400 PolarHBondContact O-N 3.35Å
393L96.4Very high88.4Confident2 Ų275.4 Ų75.41%0.0141%0.408CS..BIsolated β-bridgetrans-106.4146.5176-62.8174.8000110T55 A57 H114 C116 L398 P399 K400T55-L393 HydrophobicContact CG2-CB 4Å; T55-L393 HydrophobicContact CG2-CD1 4.01Å; T55-L393 HydrophobicContact CG2-CG 3.95Å; A57-L393 HydrophobicContact CB-CD1 3.57Å; H114-L393 HydrophobicContact CB-CD1 4.23Å; H114-L393 VanDerWaalsContact O-CD1 3.3Å; H114-L393 WeakPolarHBondContact O-CD1 3.25Å; C116-L393 HydrophobicContact CB-CD2 3.48Å; C116-L393 VanDerWaalsContact CB-CD2 3.48Å; C116-L393 HydrophobicContact CB-CG 3.84Å; L393-L398 CarbonylContact C-O 3.56Å; L393-L398 VanDerWaalsContact CA-O 3.28Å; L393-L398 WeakPolarHBondContact CA-O 3.13Å; L393-L398 VanDerWaalsContact CD2-C 3.48Å; L393-P399 HydrophobicContact CD2-CG 4.34Å; L393-K400 VanDerWaalsContact O-CE 3.27Å; L393-K400 WeakPolarHBondContact O-CE 3.26Å
394S94.3Very high85.3Confident27 Ų2778.9 Ų78.919%0.18944%0.443CS..  trans-74.5178.2171.372.20000111.4I11 E396 G397 L398I11-S394 WeakPolarHBondContact CD1-O 3.14Å; S394-E396 WeakPolarHBondContact CB-OE2 3.35Å; S394-E396 PolarHBondContact O-N 2.71Å; S394-E396 PolarHBondContact OG-N 3.3Å; S394-E396 PolarHBondContact OG-OE2 2.8Å; S394-G397 PolarHBondContact O-N 3.45Å; S394-L398 PolarHBondContact N-O 2.87Å; S394-L398 PolarHBondContact OG-O 2.79Å
395A90.9Very high84.7Confident70 Ų7080.1 Ų80.158%0.57945%0.448SS*.THydrogen-bonded Turntrans-62.1-23.4175.400000112.7P9 G397P9-A395 VanDerWaalsContact CD-O 3.23Å; P9-A395 WeakPolarHBondContact CD-O 3.43Å; P9-A395 WeakPolarHBondContact CG-O 3.43Å; A395-G397 VanDerWaalsContact C-N 3.27Å
396E90.5Very high84Confident127 Ų12783.3 Ų83.359%0.59347%0.466SS*.THydrogen-bonded Turntrans-84-1.5175.2-53.671.9-151.200112.6S394S394-E396 WeakPolarHBondContact CB-OE2 3.35Å; S394-E396 PolarHBondContact O-N 2.71Å; S394-E396 PolarHBondContact OG-N 3.3Å; S394-E396 PolarHBondContact OG-OE2 2.8Å
397G92.1Very high83.6Confident0 Ų079.9 Ų79.90%045%0.449CS..SBendtrans73.821.8-179.400000114.6H114 S394 A395H114-G397 WeakPolarHBondContact CB-O 3.48Å; H114-G397 PolarHBondContact ND1-O 3.02Å; S394-G397 PolarHBondContact O-N 3.45Å; A395-G397 VanDerWaalsContact C-N 3.27Å
398L94.8Very high83Confident76 Ų7680.8 Ų80.840%0.39846%0.455SS..SBendtrans-106154173.7-66.1176.1000110.5W68 L393 S394 K400W68-L398 HydrophobicContact CH2-CD2 4.15Å; W68-L398 HydrophobicContact CZ2-CD2 4.3Å; L393-L398 CarbonylContact C-O 3.56Å; L393-L398 VanDerWaalsContact CA-O 3.28Å; L393-L398 WeakPolarHBondContact CA-O 3.13Å; L393-L398 VanDerWaalsContact CD2-C 3.48Å; S394-L398 PolarHBondContact N-O 2.87Å; S394-L398 PolarHBondContact OG-O 2.79Å; L398-K400 PolarHBondContact O-N 2.58Å
399P95.1Very high82.6Confident42 Ų4280.7 Ų80.727%0.27345%0.45SS..BIsolated β-bridgetrans-52.4128.7177.5-26.534.2000111.6W68 L393 K401W68-P399 HydrophobicContact CB-CG 4.07Å; W68-P399 HydrophobicContact CD2-CG 3.33Å; W68-P399 HydrophobicContact CE3-CG 3.84Å; W68-P399 HydrophobicContact CG-CG 3.43Å; W68-P399 VanDerWaalsContact CG-CG 3.43Å; W68-P399 HydrophobicContact CZ2-CG 4.15Å; W68-P399 HydrophobicContact CZ3-CG 4.46Å; L393-P399 HydrophobicContact CD2-CG 4.34Å; P399-K401 PolarHBondContact O-N 2.84Å
400K92.8Very high82Confident78 Ų7880.5 Ų80.534%0.33944%0.441SS..  trans-58.3138.2168-67.6-175.9-176.3165.40107.4S389 H391 L392 L393 L398 T402S389-K400 PolarHBondContact O-NZ 3.42Å; S389-K400 VanDerWaalsContact O-NZ 3.11Å; H391-K400 VanDerWaalsContact O-CD 3.23Å; H391-K400 WeakPolarHBondContact O-CD 3.34Å; H391-K400 WeakPolarHBondContact O-CE 3.37Å; H391-K400 PolarHBondContact O-NZ 2.96Å; L392-K400 PolarHBondContact O-N 3.35Å; L393-K400 VanDerWaalsContact O-CE 3.27Å; L393-K400 WeakPolarHBondContact O-CE 3.26Å; L398-K400 PolarHBondContact O-N 2.58Å; K400-T402 VanDerWaalsContact C-N 3.28Å; K400-T402 PolarHBondContact O-N 3.36Å
401K72.1Confident81.2Confident208 Ų20880.1 Ų80.190%0.90444%0.443SS*.  trans-61.696.5168.5-72.2-175.4-179.5179.70107.2P399 T403P399-K401 PolarHBondContact O-N 2.84Å; K401-T403 PolarHBondContact O-N 3.44Å; K401-T403 VanDerWaalsContact O-N 3.16Å
402T57.4Low80.1Confident92 Ų9283.6 Ų83.656%0.56447%0.465SS*.  trans-63.9114.9169.524.20000107.4K400 V404K400-T402 VanDerWaalsContact C-N 3.28Å; K400-T402 PolarHBondContact O-N 3.36Å; T402-V404 PolarHBondContact O-N 2.82Å
403T35.1Very low78.7Confident143 Ų14388.4 Ų88.488%0.87749%0.493SS*.  trans-58.49514816.90000105.7K401K401-T403 PolarHBondContact O-N 3.44Å; K401-T403 VanDerWaalsContact O-N 3.16Å
404V32.8Very low77.1Confident196 Ų19696.3 Ų96.3100%1.18854%0.537SS*.  trans-65.60173.9178.10000109.2T402T402-V404 PolarHBondContact O-N 2.82Å

Retrieved 404 of 404 residues in 215.7 ms (Link to these results)

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