A0A087YCY2_POEFO Loading...

ADP-ribosylation factor

GTP-binding protein involved in protein trafficking; modulates vesicle budding and uncoating within the Golgi apparatus.

AlphaFold DB (A0A3B3V982), UniProt , Accession A0A087YCY2, Species POEFO (Poecilia formosa, Amazon molly), Gene ARF5, Length 180 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
1M39.3Very low45Very low243 Ų243128.8 Ų128.8100%1.19772%0.716SS**  095.40-74.4-163.9-80.700107.6
2G42.1Very low44.5Very low85 Ų85129.5 Ų129.588%0.87672%0.716SS**  trans-84.1114.9-172.700000110.9
3L51Low44.8Very low152 Ų152132.2 Ų132.280%0.79672%0.717SS**  trans-122.1153167.5-70.1167000107.2
4T52.8Low45.1Very low105 Ų105127.1 Ų127.164%0.64471%0.711SS**SBendtrans78.950.2163.467.40000120.3
5I49.4Very low45.7Very low126 Ų126127.7 Ų127.765%0.64670%0.703SS**SBendtrans-125.7-29.3156-60.3-179.9000112.5S7 F9I5-S7 PolarHBondContact O-N 3.28Å; I5-F9 HydrophobicContact CG2-CD2 3.95Å; I5-F9 HydrophobicContact CG2-CE2 4.34Å; I5-F9 PolarHBondContact O-N 3.49Å
6S47.6Very low46.5Very low103 Ų103126.4 Ų126.472%0.7269%0.688SS**Hα-helixtrans-68.6-35.2-177.754.40000114.8S10S6-S10 PolarHBondContact O-N 3.46Å
7S43.3Very low47.4Very low70 Ų70127.8 Ų127.849%0.4969%0.689SS.*Hα-helixtrans-81.7-16.2-177.558.40000114.5I5 S10I5-S7 PolarHBondContact O-N 3.28Å; S7-S10 PolarHBondContact O-OG 3.15Å
8L42.2Very low48.9Very low103 Ų103121 Ų12154%0.53965%0.652SS.*Hα-helixtrans-90.2-33173.8-81.7160.8000111.6S10 R11 L12L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.25Å; L8-R11 PolarHBondContact O-N 3.47Å; L8-L12 PolarHBondContact O-N 3.32Å
9F42Very low50.6Low129 Ų129120.8 Ų120.857%0.56664%0.641SS**Hα-helixtrans-66.4-32.1174-108.9-93.2000113.1I5 R11 L12 F13I5-F9 HydrophobicContact CG2-CD2 3.95Å; I5-F9 HydrophobicContact CG2-CE2 4.34Å; I5-F9 PolarHBondContact O-N 3.49Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 3.22Å; F9-L12 PolarHBondContact O-N 3.17Å; F9-F13 HydrophobicContact CD1-CE2 4.46Å; F9-F13 PolarHBondContact O-N 3.4Å; F9-F13 VanDerWaalsContact O-N 3.15Å
10S43.6Very low52.3Low84 Ų84114.9 Ų114.959%0.58761%0.61SS**Hα-helixtrans-70.6-20.5175.361.40000114S6 S7 L8S6-S10 PolarHBondContact O-N 3.46Å; S7-S10 PolarHBondContact O-OG 3.15Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.25Å
11R41.3Very low54Low217 Ų217109.6 Ų109.682%0.81958%0.582SS**Hα-helixtrans-87.5-15.9172-76.9-176.1174.3177.4-1.1113.6L8 F9L8-R11 PolarHBondContact O-N 3.47Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 3.22Å
12L40Very low56.4Low137 Ų13798.1 Ų98.172%0.71753%0.525SS*.Hα-helixtrans-96.4-14.4177.8-80.9160.6000113.4L8 F9 G14L8-L12 PolarHBondContact O-N 3.32Å; F9-L12 PolarHBondContact O-N 3.17Å; L12-G14 VanDerWaalsContact C-N 3.32Å; L12-G14 PolarHBondContact O-N 3.01Å
13F47.8Very low58.7Low164 Ų16494.2 Ų94.272%0.71948%0.484SS*.SBendtrans-7291.1162.4-97-96.3000108.5F9F9-F13 HydrophobicContact CD1-CE2 4.46Å; F9-F13 PolarHBondContact O-N 3.4Å; F9-F13 VanDerWaalsContact O-N 3.15Å
14G48.7Very low60.7Low62 Ų6287 Ų8764%0.63945%0.446SS*.  trans-50142.9174.200000111.1L12 K16L12-G14 VanDerWaalsContact C-N 3.32Å; L12-G14 PolarHBondContact O-N 3.01Å; G14-K16 PolarHBondContact O-N 2.86Å
15K53.8Low62.5Low135 Ų13582.2 Ų82.259%0.58742%0.417SS*.  trans-52.3105174.1-65-177.5-179.3-175.10108Q17 E57K15-Q17 PolarHBondContact O-N 3.41Å; K15-E57 IonicContact NZ-OE2 3.28Å; K15-E57 PolarHBondContact NZ-OE2 3.18Å
16K59.2Low64.3Low107 Ų10778.3 Ų78.347%0.46540%0.397SS..  trans-63.1102.6174.8-175.6172.4169.3-172.40106.3G14 M18 R180G14-K16 PolarHBondContact O-N 2.86Å; K16-M18 HydrophobicContact CB-CE 4.03Å; K16-M18 HydrophobicContact CD-CE 3.37Å; K16-M18 HydrophobicContact CD-SD 4.3Å; K16-M18 HydrophobicContact CG-CE 3.56Å; K16-M18 HydrophobicContact CG-SD 4.05Å; K16-M18 PolarHBondContact O-N 3.19Å; K16-R180 PolarHBondContact NZ-OXT 3.29Å
17Q61Low66.3Low151 Ų15176.6 Ų76.671%0.70639%0.389SS*.  trans-64.4111-179.5-72.3-170-1400108.3K15K15-Q17 PolarHBondContact O-N 3.41Å
18M75.8Confident68.6Low5 Ų573.3 Ų73.33%0.02537%0.366CS..  trans-94.9123.8179.4-62.2-60.2-175.500109.9K16 I20 Q86 L177K16-M18 HydrophobicContact CB-CE 4.03Å; K16-M18 HydrophobicContact CD-CE 3.37Å; K16-M18 HydrophobicContact CD-SD 4.3Å; K16-M18 HydrophobicContact CG-CE 3.56Å; K16-M18 HydrophobicContact CG-SD 4.05Å; K16-M18 PolarHBondContact O-N 3.19Å; M18-I20 PolarHBondContact O-N 2.74Å; M18-Q86 VanDerWaalsContact CA-OE1 3.28Å; M18-Q86 VanDerWaalsContact SD-CD 3.6Å; M18-Q86 PolarHBondContact SD-NE2 3.28Å; M18-L177 HydrophobicContact CB-CD1 4.33Å; M18-L177 HydrophobicContact CG-CD1 4.48Å
19R80.6Confident71Confident118 Ų11868.9 Ų68.945%0.44535%0.346SS..  trans-79.5119.9174.6-179.8178.3-66.9-128.5-5.6109.8N84 Q86 G87R19-N84 WeakPolarHBondContact CB-O 3.39Å; R19-Q86 VanDerWaalsContact N-OE1 3.1Å; R19-Q86 PolarHBondContact O-N 2.91Å; R19-G87 PolarHBondContact O-N 2.94Å
20I85.4Confident73.2Confident2 Ų263.3 Ų63.31%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-123.6136.8176.2-56.9-175.2000109.3M18 I61 F63 T64 G87 I89 L173 L177M18-I20 PolarHBondContact O-N 2.74Å; I20-I61 HydrophobicContact CD1-CD1 4.27Å; I20-I61 HydrophobicContact CD1-CG2 3.27Å; I20-I61 HydrophobicContact CG1-CG2 4.1Å; I20-F63 HydrophobicContact CB-CB 3.54Å; I20-F63 HydrophobicContact CD1-CB 4.24Å; I20-F63 HydrophobicContact CG1-CB 4.22Å; I20-F63 HydrophobicContact CG2-CB 4.03Å; I20-T64 PolarHBondContact O-N 2.9Å; I20-T64 VanDerWaalsContact O-N 3.12Å; I20-T64 VanDerWaalsContact O-O 3.07Å; I20-G87 CarbonylContact C-O 3.56Å; I20-G87 WeakPolarHBondContact CA-O 3.32Å; I20-G87 WeakPolarHBondContact CG2-O 3.16Å; I20-I89 HydrophobicContact CG2-CD1 3.86Å; I20-I89 HydrophobicContact CG2-CG1 3.8Å; I20-L173 HydrophobicContact CD1-CD2 3.76Å; I20-L173 HydrophobicContact CD1-CG 4.22Å; I20-L173 HydrophobicContact CG2-CD2 4.27Å; I20-L177 HydrophobicContact CD1-CD1 3.66Å; I20-L177 HydrophobicContact CG1-CD1 4.12Å
21L87.4Confident75.1Confident4 Ų460.5 Ų60.52%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-107.1124177.9177.157.7000109.5V23 W66 F82 T85 G87 L88 I89 M110L21-V23 HydrophobicContact CD1-CG1 3.84Å; L21-V23 HydrophobicContact CD2-CG1 4.2Å; L21-V23 HydrophobicContact CG-CG1 3.82Å; L21-W66 HydrophobicContact CD1-CG 4.06Å; L21-F82 HydrophobicContact CD2-CD1 3.68Å; L21-F82 HydrophobicContact CD2-CE1 3.82Å; L21-T85 HydrophobicContact CB-CG2 3.72Å; L21-G87 PolarHBondContact N-O 3.47Å; L21-L88 HydrophobicContact CB-CD1 4.28Å; L21-L88 HydrophobicContact CD2-CD1 4.27Å; L21-L88 HydrophobicContact CG-CD1 4.2Å; L21-L88 CarbonylContact O-C 3.58Å; L21-L88 WeakPolarHBondContact O-CA 3.49Å; L21-I89 PolarHBondContact O-N 3.06Å; L21-M110 HydrophobicContact CD2-CE 4.25Å
22M89.6Confident77.3Confident2 Ų251.9 Ų51.91%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-105.9122.8170.5-175.8170.265.200111.4K30 I33 L34 V65 I89 V91M22-K30 HydrophobicContact CE-CB 4.03Å; M22-K30 WeakPolarHBondContact CE-O 3.3Å; M22-K30 HydrophobicContact CG-CG 4.43Å; M22-I33 HydrophobicContact CE-CB 4.41Å; M22-I33 HydrophobicContact CE-CG2 4.34Å; M22-I33 HydrophobicContact SD-CB 4.38Å; M22-I33 HydrophobicContact SD-CG2 4.02Å; M22-L34 HydrophobicContact CE-CB 4.35Å; M22-V65 HydrophobicContact CE-CB 3.99Å; M22-V65 HydrophobicContact CE-CG1 3.21Å; M22-V65 HydrophobicContact CE-CG2 3.6Å; M22-I89 CarbonylContact C-O 3.57Å; M22-I89 VanDerWaalsContact CA-O 3.31Å; M22-I89 WeakPolarHBondContact CA-O 3.4Å; M22-I89 HydrophobicContact CB-CB 4.07Å; M22-I89 HydrophobicContact CG-CB 4Å; M22-I89 HydrophobicContact CG-CG2 3.91Å; M22-I89 HydrophobicContact SD-CG2 4.09Å; M22-V91 HydrophobicContact CG-CG2 3.77Å; M22-V91 HydrophobicContact SD-CG2 3.74Å
23V90.3Very high79.7Confident2 Ų245.4 Ų45.41%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-143.8176-174.4-71.70000111.3L21 K30 W78 L88 I89 F90 V91 M110L21-V23 HydrophobicContact CD1-CG1 3.84Å; L21-V23 HydrophobicContact CD2-CG1 4.2Å; L21-V23 HydrophobicContact CG-CG1 3.82Å; V23-K30 VanDerWaalsContact C-CD 3.47Å; V23-W78 HydrophobicContact CB-CD2 4.45Å; V23-W78 HydrophobicContact CG1-CD2 4.12Å; V23-W78 HydrophobicContact CG1-CG 4.19Å; V23-L88 HydrophobicContact CG2-CD1 3.53Å; V23-I89 PolarHBondContact N-O 3.35Å; V23-F90 HydrophobicContact CG2-CD2 3.89Å; V23-F90 HydrophobicContact CG2-CE2 4.48Å; V23-F90 WeakPolarHBondContact O-CA 3.3Å; V23-V91 PolarHBondContact O-N 3.39Å; V23-M110 HydrophobicContact CB-CE 4.42Å; V23-M110 HydrophobicContact CB-SD 4.45Å; V23-M110 HydrophobicContact CG1-CE 4.41Å; V23-M110 HydrophobicContact CG2-CE 3.59Å; V23-M110 HydrophobicContact CG2-SD 3.78Å
24G92.1Very high81.3Confident0 Ų037.6 Ų37.60%020%0.204CC..  trans145.7172.5-17600000111K30 G70G24-K30 PolarHBondContact O-NZ 2.57Å; G24-G70 WeakPolarHBondContact O-CA 3.43Å
25L91.2Very high82.7Confident6 Ų637.5 Ų37.53%0.03119%0.185CC..SBendtrans-62.5162.4-179.4-56.7-164.3000112.7A28 K30 R99 E102 S103 E106L25-A28 VanDerWaalsContact O-CB 3.24Å; L25-A28 WeakPolarHBondContact O-CB 3.41Å; L25-A28 PolarHBondContact O-N 2.88Å; L25-K30 PolarHBondContact O-NZ 3.14Å; L25-R99 HydrophobicContact CD1-CB 3.96Å; L25-E102 HydrophobicContact CD1-CB 4.15Å; L25-E102 HydrophobicContact CD1-CG 3.94Å; L25-E102 HydrophobicContact CD2-CG 4.32Å; L25-S103 WeakPolarHBondContact CD1-OG 3.3Å; L25-S103 WeakPolarHBondContact CG-OG 3.38Å; L25-E106 HydrophobicContact CD2-CG 4.17Å
26D87.1Confident84.1Confident44 Ų4432.6 Ų32.624%0.23516%0.163CC..THydrogen-bonded Turntrans-60.1153.8172.758.7-82.8000110.5A28 G70 Q71 R99D26-A28 PolarHBondContact O-N 2.63Å; D26-G70 VanDerWaalsContact N-CA 3.3Å; D26-G70 VanDerWaalsContact OD1-O 3.09Å; D26-Q71 HydrophobicContact CB-CG 4.05Å; D26-R99 IonicContact OD1-NH1 2.69Å; D26-R99 PolarHBondContact OD1-NH1 2.9Å; D26-R99 IonicContact OD2-CZ 3.63Å; D26-R99 IonicContact OD2-NH1 3.3Å; D26-R99 PolarHBondContact OD2-NH1 2.74Å; D26-R99 IonicContact OD2-NH2 3.81Å
27A89Confident85Confident66 Ų6628.7 Ų28.755%0.54515%0.148SC..THydrogen-bonded Turntrans59.51.4-174.700000116.5G29 K127A27-G29 PolarHBondContact O-N 2.87Å; A27-G29 VanDerWaalsContact O-N 3.14Å; A27-K127 WeakPolarHBondContact O-CE 3.37Å; A27-K127 PolarHBondContact O-NZ 3.11Å
28A93.5Very high85.4Confident1 Ų126.5 Ų26.51%0.00814%0.136CC..SBendtrans-63.5-18.817800000114.6L25 D26 V91 N126L25-A28 VanDerWaalsContact O-CB 3.24Å; L25-A28 WeakPolarHBondContact O-CB 3.41Å; L25-A28 PolarHBondContact O-N 2.88Å; D26-A28 PolarHBondContact O-N 2.63Å; A28-V91 HydrophobicContact CB-CB 4.36Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.38Å; A28-V91 WeakPolarHBondContact O-CG1 3.47Å; A28-N126 PolarHBondContact O-ND2 3.18Å
29G91.5Very high84.9Confident11 Ų1130.6 Ų30.611%0.11316%0.157CC..SBendtrans103.314.817600000115.6A27 T31 T32 I33A27-G29 PolarHBondContact O-N 2.87Å; A27-G29 VanDerWaalsContact O-N 3.14Å; G29-T31 VanDerWaalsContact C-N 3.35Å; G29-T31 PolarHBondContact O-N 2.64Å; G29-T32 WeakPolarHBondContact O-CB 3.37Å; G29-T32 PolarHBondContact O-N 2.7Å; G29-I33 WeakPolarHBondContact O-CG1 3.47Å; G29-I33 PolarHBondContact O-N 3.38Å
30K89.2Confident83.6Confident11 Ų1127.5 Ų27.55%0.04816%0.162CC..Hα-helixtrans-50.7-49.7175.6-63.6-176.2-61.3-74.70112.9M22 V23 G24 L25 T32 I33 L34 V91M22-K30 HydrophobicContact CE-CB 4.03Å; M22-K30 WeakPolarHBondContact CE-O 3.3Å; M22-K30 HydrophobicContact CG-CG 4.43Å; V23-K30 VanDerWaalsContact C-CD 3.47Å; G24-K30 PolarHBondContact O-NZ 2.57Å; L25-K30 PolarHBondContact O-NZ 3.14Å; K30-T32 PolarHBondContact O-N 2.97Å; K30-I33 PolarHBondContact O-N 3.31Å; K30-L34 PolarHBondContact O-N 3.17Å; K30-V91 HydrophobicContact CG-CB 3.89Å; K30-V91 HydrophobicContact CG-CG1 4.46Å; K30-V91 HydrophobicContact CG-CG2 3.83Å
31T82.6Confident81.4Confident26 Ų2634.2 Ų34.216%0.1619%0.193CC..Hα-helixtrans-59.8-47.5178.1-32.60000111.1G29 I33 L34 Y35 T45 D67G29-T31 VanDerWaalsContact C-N 3.35Å; G29-T31 PolarHBondContact O-N 2.64Å; T31-I33 VanDerWaalsContact C-N 3.3Å; T31-I33 PolarHBondContact O-N 3.48Å; T31-L34 WeakPolarHBondContact O-CB 3.16Å; T31-L34 PolarHBondContact O-N 3.47Å; T31-L34 VanDerWaalsContact O-N 3.13Å; T31-Y35 HydrophobicContact CG2-CD2 3.68Å; T31-Y35 HydrophobicContact CG2-CE2 3.58Å; T31-Y35 VanDerWaalsContact O-CD2 3.3Å; T31-Y35 WeakPolarHBondContact O-CD2 3.24Å; T31-Y35 PolarHBondContact O-N 2.95Å; T31-T45 HydrophobicContact CG2-CG2 3.55Å; T31-D67 WeakPolarHBondContact CB-OD1 3.25Å; T31-D67 VanDerWaalsContact CG2-CG 3.42Å; T31-D67 WeakPolarHBondContact CG2-OD1 3.46Å; T31-D67 WeakPolarHBondContact CG2-OD2 3.27Å; T31-D67 PolarHBondContact OG1-OD1 2.8Å
32T87.8Confident79.1Confident35 Ų3539 Ų3922%0.21522%0.218CC..Hα-helixtrans-59.2-43178.7-47.50000111.4G29 K30 K36 A160 T161G29-T32 WeakPolarHBondContact O-CB 3.37Å; G29-T32 PolarHBondContact O-N 2.7Å; K30-T32 PolarHBondContact O-N 2.97Å; T32-K36 VanDerWaalsContact O-CB 3.22Å; T32-K36 WeakPolarHBondContact O-CB 3.28Å; T32-K36 PolarHBondContact O-N 3.3Å; T32-A160 HydrophobicContact CG2-CB 3.74Å; T32-T161 HydrophobicContact CG2-CG2 4.09Å
33I89.3Confident76.6Confident1 Ų141.8 Ų41.81%0.00524%0.235CC..Hα-helixtrans-60.3-48.5175-67.2172.9000110.5M22 G29 K30 T31 Y35 K36 L37 V91 F124 A160 L166M22-I33 HydrophobicContact CE-CB 4.41Å; M22-I33 HydrophobicContact CE-CG2 4.34Å; M22-I33 HydrophobicContact SD-CB 4.38Å; M22-I33 HydrophobicContact SD-CG2 4.02Å; G29-I33 WeakPolarHBondContact O-CG1 3.47Å; G29-I33 PolarHBondContact O-N 3.38Å; K30-I33 PolarHBondContact O-N 3.31Å; T31-I33 VanDerWaalsContact C-N 3.3Å; T31-I33 PolarHBondContact O-N 3.48Å; I33-Y35 PolarHBondContact O-N 2.98Å; I33-K36 PolarHBondContact O-N 3.44Å; I33-L37 HydrophobicContact CG2-CD1 3.66Å; I33-L37 HydrophobicContact CG2-CG 4.42Å; I33-L37 WeakPolarHBondContact O-CB 3.23Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 2.94Å; I33-V91 HydrophobicContact CD1-CG1 3.81Å; I33-V91 HydrophobicContact CD1-CG2 4Å; I33-F124 HydrophobicContact CD1-CD2 3.9Å; I33-F124 HydrophobicContact CD1-CG 4.49Å; I33-F124 HydrophobicContact CG2-CE2 4.46Å; I33-A160 HydrophobicContact CD1-CB 4.41Å; I33-A160 HydrophobicContact CG1-CB 3.51Å; I33-L166 HydrophobicContact CD1-CD2 4.13Å; I33-L166 HydrophobicContact CG1-CD2 3.85Å; I33-L166 HydrophobicContact CG2-CD1 4.41Å; I33-L166 HydrophobicContact CG2-CD2 4.1Å
34L82.9Confident74Confident0 Ų048 Ų480%027%0.273CS..Hα-helixtrans-55.3-53.7178.1166.965.5000112.1M22 K30 T31 K36 L37 K38 E54 V56 V65 D67M22-L34 HydrophobicContact CE-CB 4.35Å; K30-L34 PolarHBondContact O-N 3.17Å; T31-L34 WeakPolarHBondContact O-CB 3.16Å; T31-L34 PolarHBondContact O-N 3.47Å; T31-L34 VanDerWaalsContact O-N 3.13Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.4Å; L34-L37 PolarHBondContact O-N 3.35Å; L34-K38 VanDerWaalsContact O-CB 3.3Å; L34-K38 WeakPolarHBondContact O-CB 3.47Å; L34-K38 PolarHBondContact O-N 2.86Å; L34-E54 HydrophobicContact CD1-CB 4.01Å; L34-E54 HydrophobicContact CD2-CB 3.8Å; L34-E54 HydrophobicContact CD2-CG 4.17Å; L34-V56 HydrophobicContact CD1-CG2 3.25Å; L34-V65 HydrophobicContact CB-CB 4.27Å; L34-V65 HydrophobicContact CB-CG1 3.95Å; L34-V65 HydrophobicContact CB-CG2 4.09Å; L34-V65 HydrophobicContact CD1-CB 3.74Å; L34-V65 HydrophobicContact CD1-CG1 4.33Å; L34-V65 HydrophobicContact CD1-CG2 3.48Å; L34-V65 VanDerWaalsContact CD1-CG2 3.48Å; L34-V65 HydrophobicContact CD2-CB 3.97Å; L34-V65 HydrophobicContact CD2-CG1 3.84Å; L34-V65 HydrophobicContact CG-CB 4.18Å; L34-V65 HydrophobicContact CG-CG1 4.24Å; L34-V65 HydrophobicContact CG-CG2 4.21Å; L34-D67 HydrophobicContact CD2-CB 4.12Å
35Y77.5Confident71.5Confident61 Ų6150.7 Ų50.724%0.23929%0.289CS..Hα-helixtrans-64.8-39.6-178.6-83.2-84000112T31 I33 L37 K38 L39 V43 T45T31-Y35 HydrophobicContact CG2-CD2 3.68Å; T31-Y35 HydrophobicContact CG2-CE2 3.58Å; T31-Y35 VanDerWaalsContact O-CD2 3.3Å; T31-Y35 WeakPolarHBondContact O-CD2 3.24Å; T31-Y35 PolarHBondContact O-N 2.95Å; I33-Y35 PolarHBondContact O-N 2.98Å; Y35-L37 VanDerWaalsContact C-N 3.29Å; Y35-L37 PolarHBondContact O-N 3.46Å; Y35-K38 PolarHBondContact O-N 3.07Å; Y35-L39 HydrophobicContact CD1-CD1 3.72Å; Y35-L39 HydrophobicContact CD1-CG 4.46Å; Y35-L39 HydrophobicContact CE1-CD1 4.35Å; Y35-L39 PolarHBondContact O-N 3.37Å; Y35-V43 HydrophobicContact CD1-CB 4.27Å; Y35-V43 HydrophobicContact CD1-CG2 4.38Å; Y35-T45 HydrophobicContact CD2-CG2 3.85Å; Y35-T45 HydrophobicContact CE2-CG2 4.09Å
36K83.8Confident68.9Low32 Ų3257.4 Ų57.414%0.13932%0.324CS..Hα-helixtrans-59.2-42.2176.3-168.772.3177.3-1670111.4T32 I33 L34 G40 I42 T161 Q162 L166T32-K36 VanDerWaalsContact O-CB 3.22Å; T32-K36 WeakPolarHBondContact O-CB 3.28Å; T32-K36 PolarHBondContact O-N 3.3Å; I33-K36 PolarHBondContact O-N 3.44Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.4Å; K36-G40 WeakPolarHBondContact O-CA 3.33Å; K36-G40 PolarHBondContact O-N 3.06Å; K36-I42 HydrophobicContact CD-CG1 4.42Å; K36-T161 PolarHBondContact NZ-O 2.85Å; K36-Q162 WeakPolarHBondContact CE-O 3.12Å; K36-Q162 PolarHBondContact NZ-O 2.77Å; K36-L166 HydrophobicContact CB-CD1 4.18Å; K36-L166 HydrophobicContact CG-CD1 3.95Å
37L78.4Confident66.5Low25 Ų2560.9 Ų60.913%0.13135%0.349CS..Hα-helixtrans-75-32.9178.8-65.9169.3000112.9I33 L34 Y35 V56 F63 L166 Y167 L170I33-L37 HydrophobicContact CG2-CD1 3.66Å; I33-L37 HydrophobicContact CG2-CG 4.42Å; I33-L37 WeakPolarHBondContact O-CB 3.23Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 2.94Å; L34-L37 PolarHBondContact O-N 3.35Å; Y35-L37 VanDerWaalsContact C-N 3.29Å; Y35-L37 PolarHBondContact O-N 3.46Å; L37-V56 HydrophobicContact CB-CG1 4.17Å; L37-F63 HydrophobicContact CB-CZ 4.38Å; L37-F63 HydrophobicContact CD1-CE2 4.1Å; L37-F63 HydrophobicContact CD1-CZ 3.62Å; L37-L166 HydrophobicContact CD2-CB 4.35Å; L37-L166 HydrophobicContact CD2-CD1 4.49Å; L37-Y167 HydrophobicContact CD2-CD1 4.48Å; L37-Y167 HydrophobicContact CD2-CE1 4.02Å; L37-L170 HydrophobicContact CD1-CD1 3.72Å; L37-L170 HydrophobicContact CD2-CD1 3.65Å; L37-L170 HydrophobicContact CG-CD1 4.35Å
38K68.4Low64.4Low104 Ų10461 Ų6145%0.45234%0.343SS..Hα-helixtrans-79.3-40.6-177.2-168.6179.6-173.9-176.90113.5L34 Y35 E54 V56L34-K38 VanDerWaalsContact O-CB 3.3Å; L34-K38 WeakPolarHBondContact O-CB 3.47Å; L34-K38 PolarHBondContact O-N 2.86Å; Y35-K38 PolarHBondContact O-N 3.07Å; K38-E54 IonicContact NZ-OE2 2.87Å; K38-E54 PolarHBondContact NZ-OE2 3.43Å; K38-V56 HydrophobicContact CB-CG2 4.07Å; K38-V56 HydrophobicContact CG-CG2 4.36Å
39L64.4Low61.5Low92 Ų9269.4 Ų69.448%0.48239%0.385SS..Hα-helixtrans-110.8-13.7-169-59.5-179.8000113.6Y35 E41 V43Y35-L39 HydrophobicContact CD1-CD1 3.72Å; Y35-L39 HydrophobicContact CD1-CG 4.46Å; Y35-L39 HydrophobicContact CE1-CD1 4.35Å; Y35-L39 PolarHBondContact O-N 3.37Å; L39-E41 PolarHBondContact O-N 2.79Å; L39-E41 VanDerWaalsContact O-N 3.11Å; L39-V43 HydrophobicContact CD1-CG2 3.61Å
40G54.8Low59.3Low52 Ų5271.2 Ų71.254%0.53640%0.404SS..SBendtrans68.7-1.3-171.700000114.1K36K36-G40 WeakPolarHBondContact O-CA 3.33Å; K36-G40 PolarHBondContact O-N 3.06Å
41E39.5Very low57.3Low143 Ų14376.1 Ų76.167%0.66843%0.426SS*.SBendtrans-126.3157.8-176.2-66.1-168.8167.400112.3L39 V43L39-E41 PolarHBondContact O-N 2.79Å; L39-E41 VanDerWaalsContact O-N 3.11Å; E41-V43 PolarHBondContact O-N 3.4Å
42I38.8Very low55.8Low106 Ų10677.3 Ų77.354%0.54443%0.431SS..  trans-84105.6178.1-55.8174000108.3K36 T161K36-I42 HydrophobicContact CD-CG1 4.42Å; I42-T161 WeakPolarHBondContact CD1-O 3.22Å; I42-T161 VanDerWaalsContact CG1-O 3.25Å; I42-T161 WeakPolarHBondContact CG1-O 3.45Å
43V36Very low54.3Low60 Ų6078.7 Ų78.736%0.36444%0.439SS..  trans-96.6120.5167.1-1750000108.3Y35 L39 E41 T45Y35-V43 HydrophobicContact CD1-CB 4.27Å; Y35-V43 HydrophobicContact CD1-CG2 4.38Å; L39-V43 HydrophobicContact CD1-CG2 3.61Å; E41-V43 PolarHBondContact O-N 3.4Å; V43-T45 PolarHBondContact O-N 2.97Å
44T35.5Very low52.9Low132 Ų13279.7 Ų79.781%0.8144%0.444SS*.  trans-64113.3168.737.10000109.2
45T40.2Very low51.9Low56 Ų5683.3 Ų83.334%0.34447%0.466SS..PPolyproline II helixtrans-86.3135.5-176.556.80000110.8T31 Y35 V43T31-T45 HydrophobicContact CG2-CG2 3.55Å; Y35-T45 HydrophobicContact CD2-CG2 3.85Å; Y35-T45 HydrophobicContact CE2-CG2 4.09Å; V43-T45 PolarHBondContact O-N 2.97Å
46I36.8Very low51.3Low148 Ų14880.7 Ų80.776%0.75946%0.457SS*.PPolyproline II helixtrans-86.8138.8165.7-60.6172.8000107.1T48I46-T48 PolarHBondContact O-N 3.4Å; I46-T48 VanDerWaalsContact O-N 3.17Å
47P35.8Very low50.4Low117 Ų11785.1 Ų85.176%0.7648%0.478SS*.PPolyproline II helixtrans-53.7122.6177.1-23.132000111.3I49P47-I49 PolarHBondContact O-N 3.03Å
48T45.4Very low49.9Very low68 Ų6885.8 Ų85.842%0.41748%0.479SS..PPolyproline II helixtrans-72.3127.7-175.8-25.90000110.7I46 V68I46-T48 PolarHBondContact O-N 3.4Å; I46-T48 VanDerWaalsContact O-N 3.17Å; T48-V68 HydrophobicContact CG2-CG2 4.31Å
49I33.2Very low49.9Very low177 Ų17786.1 Ų86.191%0.90848%0.48SS*.SBendtrans-90.4105.6164.2-59.3174.4000106.6P47P47-I49 PolarHBondContact O-N 3.03Å
50G44.3Very low49.6Very low49 Ų4984.5 Ų84.551%0.50547%0.472SS..SBendtrans138.2-158.3176.700000115.1V68G50-V68 VanDerWaalsContact O-CB 3.32Å; G50-V68 WeakPolarHBondContact O-CB 3.39Å; G50-V68 WeakPolarHBondContact O-CG1 3.3Å; G50-V68 WeakPolarHBondContact O-CG2 3.18Å
51F47.5Very low49.8Very low114 Ų11482.1 Ų82.150%0.545%0.447SS..  trans-126.4112.1-178.6-177.8-101.6000107.7V53 W66 L77 Y81F51-V53 HydrophobicContact CD1-CG2 4.26Å; F51-V53 HydrophobicContact CE1-CG2 4.12Å; F51-W66 HydrophobicContact CD1-CH2 4.22Å; F51-W66 AromaticContact CD1-CZ3 3.82Å; F51-W66 HydrophobicContact CD1-CZ3 3.82Å; F51-W66 HydrophobicContact CD2-CE3 4.48Å; F51-W66 AromaticContact CD2-CZ3 3.78Å; F51-W66 HydrophobicContact CD2-CZ3 3.78Å; F51-W66 AromaticContact CE1-CH2 3.35Å; F51-W66 HydrophobicContact CE1-CH2 3.35Å; F51-W66 AromaticContact CE1-CZ3 3.28Å; F51-W66 HydrophobicContact CE1-CZ3 3.28Å; F51-W66 HydrophobicContact CE2-CE3 4.04Å; F51-W66 AromaticContact CE2-CH2 3.98Å; F51-W66 HydrophobicContact CE2-CH2 3.98Å; F51-W66 AromaticContact CE2-CZ3 3.23Å; F51-W66 HydrophobicContact CE2-CZ3 3.23Å; F51-W66 HydrophobicContact CG-CZ3 4.09Å; F51-W66 HydrophobicContact CZ-CE3 4.16Å; F51-W66 AromaticContact CZ-CH2 3.26Å; F51-W66 HydrophobicContact CZ-CH2 3.26Å; F51-W66 AromaticContact CZ-CZ3 3Å; F51-W66 HydrophobicContact CZ-CZ3 3Å; F51-L77 HydrophobicContact CD2-CD1 4.47Å; F51-L77 HydrophobicContact CE2-CD1 4.24Å; F51-Y81 HydrophobicContact CZ-CE2 4.1Å; F51-Y81 WeakPolarHBondContact CZ-OH 3.21Å
52N51.1Low50.7Low52 Ų5276.5 Ų76.528%0.27842%0.423SS..EExtended strand (participates in β ladder)trans-124.2131.6-176.2-169.639.5000111.3E54 D67N52-E54 WeakPolarHBondContact ND2-CG 3.38Å; N52-E54 PolarHBondContact ND2-OE1 2.83Å; N52-D67 WeakPolarHBondContact CB-O 3.22Å; N52-D67 CarbonylContact O-C 3.59Å; N52-D67 PolarHBondContact O-N 3.4Å
53V55.8Low51.6Low64 Ų6471.5 Ų71.539%0.38840%0.398SS..EExtended strand (participates in β ladder)trans-121.3113.1-176.6-1660000107.1F51 T64 W66F51-V53 HydrophobicContact CD1-CG2 4.26Å; F51-V53 HydrophobicContact CE1-CG2 4.12Å; V53-T64 HydrophobicContact CG1-CG2 3.24Å; V53-W66 HydrophobicContact CB-CH2 4.05Å; V53-W66 HydrophobicContact CB-CZ2 4.07Å; V53-W66 HydrophobicContact CB-CZ3 4.46Å; V53-W66 HydrophobicContact CG1-CH2 3.98Å; V53-W66 HydrophobicContact CG1-CZ2 3.48Å; V53-W66 VanDerWaalsContact CG1-CZ2 3.48Å; V53-W66 HydrophobicContact CG2-CE3 4.14Å; V53-W66 HydrophobicContact CG2-CH2 2.97Å; V53-W66 HydrophobicContact CG2-CZ2 3.45Å; V53-W66 VanDerWaalsContact CG2-CZ2 3.45Å; V53-W66 HydrophobicContact CG2-CZ3 3.34Å
54E61.4Low52.6Low22 Ų2270.3 Ų70.310%0.10339%0.39CS..EExtended strand (participates in β ladder)trans-121.8134.5-179.5-65.6-161.1-154.100111.3L34 K38 N52 T64 V65L34-E54 HydrophobicContact CD1-CB 4.01Å; L34-E54 HydrophobicContact CD2-CB 3.8Å; L34-E54 HydrophobicContact CD2-CG 4.17Å; K38-E54 IonicContact NZ-OE2 2.87Å; K38-E54 PolarHBondContact NZ-OE2 3.43Å; N52-E54 WeakPolarHBondContact ND2-CG 3.38Å; N52-E54 PolarHBondContact ND2-OE1 2.83Å; E54-T64 CarbonylContact O-C 3.56Å; E54-T64 WeakPolarHBondContact O-CA 3.33Å; E54-V65 PolarHBondContact N-O 3.26Å; E54-V65 PolarHBondContact O-N 3.44Å
55T60.4Low53.7Low76 Ų7664 Ų6447%0.46635%0.352SS..EExtended strand (participates in β ladder)trans-102.4132.1178.1-59.40000109.8C62 F63T55-C62 WeakPolarHBondContact CG2-SG 3.49Å; T55-F63 CarbonylContact C-O 3.6Å; T55-F63 WeakPolarHBondContact CA-O 2.98Å
56V65.4Low54.7Low6 Ų662.3 Ų62.34%0.03634%0.339CS..EExtended strand (participates in β ladder)trans-123.1135.9175.6177.30000109.9L34 L37 K38 C62 F63L34-V56 HydrophobicContact CD1-CG2 3.25Å; L37-V56 HydrophobicContact CB-CG1 4.17Å; K38-V56 HydrophobicContact CB-CG2 4.07Å; K38-V56 HydrophobicContact CG-CG2 4.36Å; V56-C62 CarbonylContact O-C 3.58Å; V56-F63 HydrophobicContact CB-CD1 4.46Å; V56-F63 HydrophobicContact CB-CD2 4.29Å; V56-F63 HydrophobicContact CB-CE1 3.9Å; V56-F63 HydrophobicContact CB-CE2 3.71Å; V56-F63 HydrophobicContact CB-CZ 3.47Å; V56-F63 VanDerWaalsContact CB-CZ 3.47Å; V56-F63 HydrophobicContact CG1-CE1 3.75Å; V56-F63 HydrophobicContact CG1-CE2 4.15Å; V56-F63 HydrophobicContact CG1-CZ 3.41Å; V56-F63 VanDerWaalsContact CG1-CZ 3.41Å; V56-F63 HydrophobicContact CG2-CE2 4.33Å; V56-F63 HydrophobicContact CG2-CZ 4.38Å; V56-F63 PolarHBondContact N-O 2.91Å; V56-F63 WeakPolarHBondContact O-CD1 3.29Å; V56-F63 PolarHBondContact O-N 3.4Å
57E65.5Low55.6Low125 Ų12555.6 Ų55.658%0.58431%0.305SS*.EExtended strand (participates in β ladder)trans-96.7128.7173-66.9-168-168.100110.6K15 I61 C62K15-E57 IonicContact NZ-OE2 3.28Å; K15-E57 PolarHBondContact NZ-OE2 3.18Å; E57-I61 CarbonylContact C-O 3.59Å; E57-I61 WeakPolarHBondContact CA-O 3.44Å; E57-C62 HydrophobicContact CG-CB 4.44Å
58Y67.3Low56.2Low38 Ų3851.7 Ų51.715%0.14928%0.278CS..EExtended strand (participates in β ladder)trans-135.2117.1169.8179.9-106.1000109.7N60 I61 Y167 L170 D171Y58-N60 PolarHBondContact O-N 2.7Å; Y58-I61 PolarHBondContact N-O 3.2Å; Y58-I61 WeakPolarHBondContact O-CA 3.35Å; Y58-I61 VanDerWaalsContact O-CB 3.3Å; Y58-I61 WeakPolarHBondContact O-CB 3.45Å; Y58-I61 PolarHBondContact O-N 3.11Å; Y58-Y167 HydrophobicContact CD2-CD1 4.24Å; Y58-Y167 HydrophobicContact CD2-CE1 4.25Å; Y58-Y167 AromaticContact CE2-CD1 3.42Å; Y58-Y167 HydrophobicContact CE2-CD1 3.42Å; Y58-Y167 VanDerWaalsContact CE2-CD1 3.42Å; Y58-Y167 AromaticContact CE2-CE1 3.73Å; Y58-Y167 HydrophobicContact CE2-CE1 3.73Å; Y58-Y167 AromaticContact CZ-CD1 3.78Å; Y58-L170 HydrophobicContact CD1-CB 3.78Å; Y58-L170 HydrophobicContact CD1-CD1 4.18Å; Y58-L170 HydrophobicContact CE1-CB 3.68Å; Y58-L170 HydrophobicContact CG-CD1 4.26Å; Y58-D171 WeakPolarHBondContact CE1-OD1 3.41Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.27Å; Y58-D171 PolarHBondContact OH-OD1 2.82Å
59K68.6Low56.5Low111 Ų11149 Ų4948%0.48327%0.265SS..THydrogen-bonded Turntrans53-117.7-172.2-62.8179.2173.5173.30111.7D171K59-D171 VanDerWaalsContact CE-OD1 3.32Å; K59-D171 WeakPolarHBondContact CE-OD1 3.1Å; K59-D171 IonicContact NZ-OD1 3.14Å; K59-D171 PolarHBondContact NZ-OD1 2.87Å; K59-D171 IonicContact NZ-OD2 3.88Å; K59-D171 PolarHBondContact NZ-OD2 2.8Å
60N58.7Low57.5Low58 Ų5840.6 Ų40.631%0.3122%0.222SC..THydrogen-bonded Turntrans-96.45.417659.3-55.8000112.9Y58 S174Y58-N60 PolarHBondContact O-N 2.7Å; N60-S174 PolarHBondContact OD1-OG 3.11Å
61I58.6Low58.3Low3 Ų344 Ų442%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-96.4136.8176.5-59.6168.3000109.8I20 E57 Y58 F63I20-I61 HydrophobicContact CD1-CD1 4.27Å; I20-I61 HydrophobicContact CD1-CG2 3.27Å; I20-I61 HydrophobicContact CG1-CG2 4.1Å; E57-I61 CarbonylContact C-O 3.59Å; E57-I61 WeakPolarHBondContact CA-O 3.44Å; Y58-I61 PolarHBondContact N-O 3.2Å; Y58-I61 WeakPolarHBondContact O-CA 3.35Å; Y58-I61 VanDerWaalsContact O-CB 3.3Å; Y58-I61 WeakPolarHBondContact O-CB 3.45Å; Y58-I61 PolarHBondContact O-N 3.11Å; I61-F63 HydrophobicContact CG2-CB 4.09Å; I61-F63 HydrophobicContact CG2-CD1 3.88Å; I61-F63 HydrophobicContact CG2-CG 4.49Å
62C57.7Low59.1Low24 Ų2443.5 Ų43.516%0.16223%0.227CC..EExtended strand (participates in β ladder)trans-12198.4168.2-175.40000107.8T55 V56 E57T55-C62 WeakPolarHBondContact CG2-SG 3.49Å; V56-C62 CarbonylContact O-C 3.58Å; E57-C62 HydrophobicContact CG-CB 4.44Å
63F59.3Low60Low2 Ų250.3 Ų50.31%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-103.4141.1-173.760.1-87.2000111.9I20 L37 T55 V56 I61 V65I20-F63 HydrophobicContact CB-CB 3.54Å; I20-F63 HydrophobicContact CD1-CB 4.24Å; I20-F63 HydrophobicContact CG1-CB 4.22Å; I20-F63 HydrophobicContact CG2-CB 4.03Å; L37-F63 HydrophobicContact CB-CZ 4.38Å; L37-F63 HydrophobicContact CD1-CE2 4.1Å; L37-F63 HydrophobicContact CD1-CZ 3.62Å; T55-F63 CarbonylContact C-O 3.6Å; T55-F63 WeakPolarHBondContact CA-O 2.98Å; V56-F63 HydrophobicContact CB-CD1 4.46Å; V56-F63 HydrophobicContact CB-CD2 4.29Å; V56-F63 HydrophobicContact CB-CE1 3.9Å; V56-F63 HydrophobicContact CB-CE2 3.71Å; V56-F63 HydrophobicContact CB-CZ 3.47Å; V56-F63 VanDerWaalsContact CB-CZ 3.47Å; V56-F63 HydrophobicContact CG1-CE1 3.75Å; V56-F63 HydrophobicContact CG1-CE2 4.15Å; V56-F63 HydrophobicContact CG1-CZ 3.41Å; V56-F63 VanDerWaalsContact CG1-CZ 3.41Å; V56-F63 HydrophobicContact CG2-CE2 4.33Å; V56-F63 HydrophobicContact CG2-CZ 4.38Å; V56-F63 PolarHBondContact N-O 2.91Å; V56-F63 WeakPolarHBondContact O-CD1 3.29Å; V56-F63 PolarHBondContact O-N 3.4Å; I61-F63 HydrophobicContact CG2-CB 4.09Å; I61-F63 HydrophobicContact CG2-CD1 3.88Å; I61-F63 HydrophobicContact CG2-CG 4.49Å; F63-V65 HydrophobicContact CD2-CG2 3.71Å; F63-V65 HydrophobicContact CE2-CG2 3.72Å
64T56Low60.9Low35 Ų3549.7 Ų49.722%0.21525%0.248CC..EExtended strand (participates in β ladder)trans-100.6114.2178.5-58.50000108.7I20 V53 E54I20-T64 PolarHBondContact O-N 2.9Å; I20-T64 VanDerWaalsContact O-N 3.12Å; I20-T64 VanDerWaalsContact O-O 3.07Å; V53-T64 HydrophobicContact CG1-CG2 3.24Å; E54-T64 CarbonylContact O-C 3.56Å; E54-T64 WeakPolarHBondContact O-CA 3.33Å
65V58.7Low61.6Low0 Ų049.6 Ų49.60%025%0.247CC..EExtended strand (participates in β ladder)trans-87.7127.4173.5-179.30000109.6M22 L34 E54 F63 D67M22-V65 HydrophobicContact CE-CB 3.99Å; M22-V65 HydrophobicContact CE-CG1 3.21Å; M22-V65 HydrophobicContact CE-CG2 3.6Å; L34-V65 HydrophobicContact CB-CB 4.27Å; L34-V65 HydrophobicContact CB-CG1 3.95Å; L34-V65 HydrophobicContact CB-CG2 4.09Å; L34-V65 HydrophobicContact CD1-CB 3.74Å; L34-V65 HydrophobicContact CD1-CG1 4.33Å; L34-V65 HydrophobicContact CD1-CG2 3.48Å; L34-V65 VanDerWaalsContact CD1-CG2 3.48Å; L34-V65 HydrophobicContact CD2-CB 3.97Å; L34-V65 HydrophobicContact CD2-CG1 3.84Å; L34-V65 HydrophobicContact CG-CB 4.18Å; L34-V65 HydrophobicContact CG-CG1 4.24Å; L34-V65 HydrophobicContact CG-CG2 4.21Å; E54-V65 PolarHBondContact N-O 3.26Å; E54-V65 PolarHBondContact O-N 3.44Å; F63-V65 HydrophobicContact CD2-CG2 3.71Å; F63-V65 HydrophobicContact CE2-CG2 3.72Å; V65-D67 HydrophobicContact CG1-CB 4.4Å; V65-D67 PolarHBondContact O-N 2.86Å
66W60.9Low62.7Low20 Ų2048.8 Ų48.88%0.07624%0.243CC..EExtended strand (participates in β ladder)trans-9187.5168.8-77.883.6000108.4L21 F51 V53 V68 Y81L21-W66 HydrophobicContact CD1-CG 4.06Å; F51-W66 HydrophobicContact CD1-CH2 4.22Å; F51-W66 AromaticContact CD1-CZ3 3.82Å; F51-W66 HydrophobicContact CD1-CZ3 3.82Å; F51-W66 HydrophobicContact CD2-CE3 4.48Å; F51-W66 AromaticContact CD2-CZ3 3.78Å; F51-W66 HydrophobicContact CD2-CZ3 3.78Å; F51-W66 AromaticContact CE1-CH2 3.35Å; F51-W66 HydrophobicContact CE1-CH2 3.35Å; F51-W66 AromaticContact CE1-CZ3 3.28Å; F51-W66 HydrophobicContact CE1-CZ3 3.28Å; F51-W66 HydrophobicContact CE2-CE3 4.04Å; F51-W66 AromaticContact CE2-CH2 3.98Å; F51-W66 HydrophobicContact CE2-CH2 3.98Å; F51-W66 AromaticContact CE2-CZ3 3.23Å; F51-W66 HydrophobicContact CE2-CZ3 3.23Å; F51-W66 HydrophobicContact CG-CZ3 4.09Å; F51-W66 HydrophobicContact CZ-CE3 4.16Å; F51-W66 AromaticContact CZ-CH2 3.26Å; F51-W66 HydrophobicContact CZ-CH2 3.26Å; F51-W66 AromaticContact CZ-CZ3 3Å; F51-W66 HydrophobicContact CZ-CZ3 3Å; V53-W66 HydrophobicContact CB-CH2 4.05Å; V53-W66 HydrophobicContact CB-CZ2 4.07Å; V53-W66 HydrophobicContact CB-CZ3 4.46Å; V53-W66 HydrophobicContact CG1-CH2 3.98Å; V53-W66 HydrophobicContact CG1-CZ2 3.48Å; V53-W66 VanDerWaalsContact CG1-CZ2 3.48Å; V53-W66 HydrophobicContact CG2-CE3 4.14Å; V53-W66 HydrophobicContact CG2-CH2 2.97Å; V53-W66 HydrophobicContact CG2-CZ2 3.45Å; V53-W66 VanDerWaalsContact CG2-CZ2 3.45Å; V53-W66 HydrophobicContact CG2-CZ3 3.34Å; W66-V68 VanDerWaalsContact C-N 3.25Å; W66-V68 PolarHBondContact O-N 3.26Å; W66-Y81 AromaticContact CD2-CD2 3.9Å; W66-Y81 HydrophobicContact CD2-CD2 3.9Å; W66-Y81 AromaticContact CD2-CE2 3.94Å; W66-Y81 HydrophobicContact CD2-CE2 3.94Å; W66-Y81 HydrophobicContact CD2-CG 4.25Å; W66-Y81 AromaticContact CE2-CD1 3.5Å; W66-Y81 AromaticContact CE2-CD2 3.56Å; W66-Y81 AromaticContact CE2-CE1 3.6Å; W66-Y81 AromaticContact CE2-CE2 3.6Å; W66-Y81 AromaticContact CE2-CG 3.52Å; W66-Y81 AromaticContact CE2-CZ 3.65Å; W66-Y81 HydrophobicContact CE3-CD2 4.34Å; W66-Y81 AromaticContact CE3-CE2 3.97Å; W66-Y81 HydrophobicContact CE3-CE2 3.97Å; W66-Y81 HydrophobicContact CH2-CD1 4.22Å; W66-Y81 HydrophobicContact CH2-CD2 4.15Å; W66-Y81 AromaticContact CH2-CE1 3.46Å; W66-Y81 HydrophobicContact CH2-CE1 3.46Å; W66-Y81 VanDerWaalsContact CH2-CE1 3.46Å; W66-Y81 AromaticContact CH2-CE2 3.31Å; W66-Y81 HydrophobicContact CH2-CE2 3.31Å; W66-Y81 AromaticContact CH2-CZ 2.92Å; W66-Y81 WeakPolarHBondContact CH2-OH 3.1Å; W66-Y81 AromaticContact CZ2-CD1 3.31Å; W66-Y81 HydrophobicContact CZ2-CD1 3.31Å; W66-Y81 AromaticContact CZ2-CD2 3.76Å; W66-Y81 HydrophobicContact CZ2-CD2 3.76Å; W66-Y81 AromaticContact CZ2-CE1 2.9Å; W66-Y81 HydrophobicContact CZ2-CE1 2.9Å; W66-Y81 AromaticContact CZ2-CE2 3.35Å; W66-Y81 HydrophobicContact CZ2-CE2 3.35Å; W66-Y81 AromaticContact CZ2-CG 3.76Å; W66-Y81 HydrophobicContact CZ2-CG 3.76Å; W66-Y81 AromaticContact CZ2-CZ 2.92Å; W66-Y81 WeakPolarHBondContact CZ2-OH 3.12Å; W66-Y81 HydrophobicContact CZ3-CD2 4.45Å; W66-Y81 AromaticContact CZ3-CE2 3.67Å; W66-Y81 HydrophobicContact CZ3-CE2 3.67Å; W66-Y81 AromaticContact CZ3-CZ 3.78Å; W66-Y81 AromaticContact NE1-CD1 3.55Å; W66-Y81 AromaticContact NE1-CD2 3.91Å; W66-Y81 AromaticContact NE1-CG 3.48Å
67D56Low63.1Low7 Ų751.9 Ų51.94%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-89.273.9168.8-170.341.7000108.5T31 L34 N52 V65T31-D67 WeakPolarHBondContact CB-OD1 3.25Å; T31-D67 VanDerWaalsContact CG2-CG 3.42Å; T31-D67 WeakPolarHBondContact CG2-OD1 3.46Å; T31-D67 WeakPolarHBondContact CG2-OD2 3.27Å; T31-D67 PolarHBondContact OG1-OD1 2.8Å; L34-D67 HydrophobicContact CD2-CB 4.12Å; N52-D67 WeakPolarHBondContact CB-O 3.22Å; N52-D67 CarbonylContact O-C 3.59Å; N52-D67 PolarHBondContact O-N 3.4Å; V65-D67 HydrophobicContact CG1-CB 4.4Å; V65-D67 PolarHBondContact O-N 2.86Å
68V48.5Very low64Low34 Ų3446.8 Ų46.821%0.20623%0.234CC..SBendtrans-165.9125.1135.2172.10000108.2T48 G50 W66 I74T48-V68 HydrophobicContact CG2-CG2 4.31Å; G50-V68 VanDerWaalsContact O-CB 3.32Å; G50-V68 WeakPolarHBondContact O-CB 3.39Å; G50-V68 WeakPolarHBondContact O-CG1 3.3Å; G50-V68 WeakPolarHBondContact O-CG2 3.18Å; W66-V68 VanDerWaalsContact C-N 3.25Å; W66-V68 PolarHBondContact O-N 3.26Å; V68-I74 HydrophobicContact CG1-CD1 3.87Å
69G51.2Low64.7Low13 Ų1351.8 Ų51.813%0.13425%0.253CS..  trans105.477.3141.100000118.7W78G69-W78 PolarHBondContact O-NE1 2.96Å
70G54.2Low65.3Low0 Ų052.4 Ų52.40%026%0.257CS..  trans-87.713.3156.800000113.4G24 D26 R75G24-G70 WeakPolarHBondContact O-CA 3.43Å; D26-G70 VanDerWaalsContact N-CA 3.3Å; D26-G70 VanDerWaalsContact OD1-O 3.09Å; G70-R75 VanDerWaalsContact O-CZ 3.25Å; G70-R75 PolarHBondContact O-NE 3.02Å; G70-R75 PolarHBondContact O-NH2 2.64Å
71Q60.8Low66.4Low121 Ų12152.4 Ų52.457%0.56525%0.253SS*.SBendtrans-74.4140.4169-63.3-178.8900109.5D26 K73 I74 R75D26-Q71 HydrophobicContact CB-CG 4.05Å; Q71-K73 PolarHBondContact O-N 3.41Å; Q71-I74 HydrophobicContact CB-CD1 4.2Å; Q71-I74 HydrophobicContact CB-CG1 4.14Å; Q71-I74 WeakPolarHBondContact O-CG1 3.47Å; Q71-I74 PolarHBondContact O-N 2.87Å; Q71-R75 PolarHBondContact O-N 3.12Å
72D66.1Low67.8Low103 Ų10352.6 Ų52.655%0.55125%0.254SS*.THydrogen-bonded Turntrans-47.2-42-171.1-57-9.4000114.2I74 R75D72-I74 PolarHBondContact O-N 2.73Å; D72-I74 VanDerWaalsContact O-N 3.16Å; D72-R75 IonicContact OD1-CZ 2.64Å; D72-R75 IonicContact OD1-NE 2.66Å; D72-R75 IonicContact OD1-NH1 3.86Å; D72-R75 PolarHBondContact OD1-NH1 3.23Å; D72-R75 IonicContact OD1-NH2 3.07Å; D72-R75 PolarHBondContact OD1-NH2 3.24Å
73K69.8Low69.1Low195 Ų19557.2 Ų57.285%0.84827%0.273SS*.THydrogen-bonded Turntrans-66.7-18.5-173.6-65.5-176.5178.4177.70114.5Q71Q71-K73 PolarHBondContact O-N 3.41Å
74I73.1Confident70.4Confident51 Ų5163.1 Ų63.126%0.26231%0.305SS..THydrogen-bonded Turntrans-119.5-10-171.352.2-173000114V68 Q71 D72 P76 L77V68-I74 HydrophobicContact CG1-CD1 3.87Å; Q71-I74 HydrophobicContact CB-CD1 4.2Å; Q71-I74 HydrophobicContact CB-CG1 4.14Å; Q71-I74 WeakPolarHBondContact O-CG1 3.47Å; Q71-I74 PolarHBondContact O-N 2.87Å; D72-I74 PolarHBondContact O-N 2.73Å; D72-I74 VanDerWaalsContact O-N 3.16Å; I74-P76 VanDerWaalsContact C-N 3.28Å; I74-L77 WeakPolarHBondContact O-CB 3.31Å; I74-L77 PolarHBondContact O-N 3.16Å
75R77.4Confident72Confident19 Ų1961.9 Ų61.97%0.07230%0.297CS..G310 helixtrans-52.7-35.7169.7-56.3-175.4-172.3151.27114.1G70 Q71 D72 L77 W78 E102 E106G70-R75 VanDerWaalsContact O-CZ 3.25Å; G70-R75 PolarHBondContact O-NE 3.02Å; G70-R75 PolarHBondContact O-NH2 2.64Å; Q71-R75 PolarHBondContact O-N 3.12Å; D72-R75 IonicContact OD1-CZ 2.64Å; D72-R75 IonicContact OD1-NE 2.66Å; D72-R75 IonicContact OD1-NH1 3.86Å; D72-R75 PolarHBondContact OD1-NH1 3.23Å; D72-R75 IonicContact OD1-NH2 3.07Å; D72-R75 PolarHBondContact OD1-NH2 3.24Å; R75-L77 PolarHBondContact O-N 3.44Å; R75-W78 HydrophobicContact CB-CD2 4.29Å; R75-W78 HydrophobicContact CB-CE3 4.36Å; R75-W78 HydrophobicContact CB-CH2 4.37Å; R75-W78 HydrophobicContact CB-CZ2 4.29Å; R75-W78 HydrophobicContact CB-CZ3 4.39Å; R75-W78 HydrophobicContact CG-CH2 3.92Å; R75-W78 HydrophobicContact CG-CZ2 3.84Å; R75-W78 HydrophobicContact CG-CZ3 4.38Å; R75-W78 WeakPolarHBondContact O-CB 3.11Å; R75-W78 PolarHBondContact O-N 3.27Å; R75-E102 IonicContact CZ-OE1 3.37Å; R75-E102 IonicContact NH1-OE1 2.82Å; R75-E102 PolarHBondContact NH1-OE1 3.27Å; R75-E102 IonicContact NH2-OE1 3.14Å; R75-E102 PolarHBondContact NH2-OE1 2.76Å; R75-E106 WeakPolarHBondContact CD-OE2 3.48Å; R75-E106 IonicContact NH1-OE1 3.83Å
76P82.1Confident73.5Confident60 Ų6065 Ų6539%0.3931%0.312SS..G310 helixtrans-51-26.9173.6-35.441.3000115.3I74 W78 R79I74-P76 VanDerWaalsContact C-N 3.28Å; P76-W78 VanDerWaalsContact C-N 3.28Å; P76-W78 PolarHBondContact O-N 3.02Å; P76-R79 WeakPolarHBondContact O-CG 3.4Å; P76-R79 PolarHBondContact O-NE 3.31Å
77L75.7Confident75Confident71 Ų7164 Ų6437%0.37231%0.308SS..G310 helixtrans-73.8-18.1-178.5-61.3176.1000113.3F51 I74 R75 R79 H80F51-L77 HydrophobicContact CD2-CD1 4.47Å; F51-L77 HydrophobicContact CE2-CD1 4.24Å; I74-L77 WeakPolarHBondContact O-CB 3.31Å; I74-L77 PolarHBondContact O-N 3.16Å; R75-L77 PolarHBondContact O-N 3.44Å; L77-R79 PolarHBondContact O-N 3.41Å; L77-H80 PolarHBondContact O-CD2 3.14Å; L77-H80 PolarHBondContact O-N 3.46Å
78W83.3Confident76.9Confident17 Ų1763.7 Ų63.76%0.06431%0.306CS..G310 helixtrans-57.5-33.9-179.9-62-8.7000112.1V23 G69 R75 P76 H80 Y81 F82 E106 M110V23-W78 HydrophobicContact CB-CD2 4.45Å; V23-W78 HydrophobicContact CG1-CD2 4.12Å; V23-W78 HydrophobicContact CG1-CG 4.19Å; G69-W78 PolarHBondContact O-NE1 2.96Å; R75-W78 HydrophobicContact CB-CD2 4.29Å; R75-W78 HydrophobicContact CB-CE3 4.36Å; R75-W78 HydrophobicContact CB-CH2 4.37Å; R75-W78 HydrophobicContact CB-CZ2 4.29Å; R75-W78 HydrophobicContact CB-CZ3 4.39Å; R75-W78 HydrophobicContact CG-CH2 3.92Å; R75-W78 HydrophobicContact CG-CZ2 3.84Å; R75-W78 HydrophobicContact CG-CZ3 4.38Å; R75-W78 WeakPolarHBondContact O-CB 3.11Å; R75-W78 PolarHBondContact O-N 3.27Å; P76-W78 VanDerWaalsContact C-N 3.28Å; P76-W78 PolarHBondContact O-N 3.02Å; W78-H80 PolarHBondContact O-N 3.44Å; W78-H80 VanDerWaalsContact O-N 3.14Å; W78-Y81 PolarHBondContact O-N 2.93Å; W78-F82 VanDerWaalsContact C-CE1 3.43Å; W78-F82 HydrophobicContact CB-CE1 3.87Å; W78-F82 HydrophobicContact CB-CZ 3.98Å; W78-F82 VanDerWaalsContact O-CD1 3.25Å; W78-F82 WeakPolarHBondContact O-CD1 3.29Å; W78-F82 WeakPolarHBondContact O-CE1 3.5Å; W78-E106 HydrophobicContact CZ3-CB 4.34Å; W78-M110 HydrophobicContact CE3-CE 4.44Å; W78-M110 HydrophobicContact CE3-CG 4.26Å; W78-M110 HydrophobicContact CE3-SD 3.49Å; W78-M110 HydrophobicContact CZ3-SD 3.71Å
79R83Confident79.1Confident144 Ų14462.1 Ų62.154%0.54330%0.297SS..G310 helixtrans-57.6-30.1-178.780.8-176.787-179.9-0.7114.2P76 L77 Y81 F82P76-R79 WeakPolarHBondContact O-CG 3.4Å; P76-R79 PolarHBondContact O-NE 3.31Å; L77-R79 PolarHBondContact O-N 3.41Å; R79-Y81 PolarHBondContact O-N 2.8Å; R79-Y81 VanDerWaalsContact O-N 3.09Å; R79-F82 VanDerWaalsContact CA-CE2 3.48Å; R79-F82 HydrophobicContact CB-CD2 4.13Å; R79-F82 HydrophobicContact CB-CE2 3.87Å; R79-F82 HydrophobicContact CB-CZ 4.39Å; R79-F82 PolarHBondContact O-N 2.79Å
80H80.9Confident81.2Confident124 Ų12461.5 Ų61.557%0.57429%0.29SS*.G310 helixtrans-66.8-11.6178.7-63.2-59.5000113L77 W78L77-H80 PolarHBondContact O-CD2 3.14Å; L77-H80 PolarHBondContact O-N 3.46Å; W78-H80 PolarHBondContact O-N 3.44Å; W78-H80 VanDerWaalsContact O-N 3.14Å
81Y80.2Confident83.3Confident57 Ų5761.5 Ų61.522%0.22429%0.29CS..G310 helixtrans-110.7-0.3-177.8-60.3-66.3000114F51 W66 W78 R79 Q83 T85F51-Y81 HydrophobicContact CZ-CE2 4.1Å; F51-Y81 WeakPolarHBondContact CZ-OH 3.21Å; W66-Y81 AromaticContact CD2-CD2 3.9Å; W66-Y81 HydrophobicContact CD2-CD2 3.9Å; W66-Y81 AromaticContact CD2-CE2 3.94Å; W66-Y81 HydrophobicContact CD2-CE2 3.94Å; W66-Y81 HydrophobicContact CD2-CG 4.25Å; W66-Y81 AromaticContact CE2-CD1 3.5Å; W66-Y81 AromaticContact CE2-CD2 3.56Å; W66-Y81 AromaticContact CE2-CE1 3.6Å; W66-Y81 AromaticContact CE2-CE2 3.6Å; W66-Y81 AromaticContact CE2-CG 3.52Å; W66-Y81 AromaticContact CE2-CZ 3.65Å; W66-Y81 HydrophobicContact CE3-CD2 4.34Å; W66-Y81 AromaticContact CE3-CE2 3.97Å; W66-Y81 HydrophobicContact CE3-CE2 3.97Å; W66-Y81 HydrophobicContact CH2-CD1 4.22Å; W66-Y81 HydrophobicContact CH2-CD2 4.15Å; W66-Y81 AromaticContact CH2-CE1 3.46Å; W66-Y81 HydrophobicContact CH2-CE1 3.46Å; W66-Y81 VanDerWaalsContact CH2-CE1 3.46Å; W66-Y81 AromaticContact CH2-CE2 3.31Å; W66-Y81 HydrophobicContact CH2-CE2 3.31Å; W66-Y81 AromaticContact CH2-CZ 2.92Å; W66-Y81 WeakPolarHBondContact CH2-OH 3.1Å; W66-Y81 AromaticContact CZ2-CD1 3.31Å; W66-Y81 HydrophobicContact CZ2-CD1 3.31Å; W66-Y81 AromaticContact CZ2-CD2 3.76Å; W66-Y81 HydrophobicContact CZ2-CD2 3.76Å; W66-Y81 AromaticContact CZ2-CE1 2.9Å; W66-Y81 HydrophobicContact CZ2-CE1 2.9Å; W66-Y81 AromaticContact CZ2-CE2 3.35Å; W66-Y81 HydrophobicContact CZ2-CE2 3.35Å; W66-Y81 AromaticContact CZ2-CG 3.76Å; W66-Y81 HydrophobicContact CZ2-CG 3.76Å; W66-Y81 AromaticContact CZ2-CZ 2.92Å; W66-Y81 WeakPolarHBondContact CZ2-OH 3.12Å; W66-Y81 HydrophobicContact CZ3-CD2 4.45Å; W66-Y81 AromaticContact CZ3-CE2 3.67Å; W66-Y81 HydrophobicContact CZ3-CE2 3.67Å; W66-Y81 AromaticContact CZ3-CZ 3.78Å; W66-Y81 AromaticContact NE1-CD1 3.55Å; W66-Y81 AromaticContact NE1-CD2 3.91Å; W66-Y81 AromaticContact NE1-CG 3.48Å; W78-Y81 PolarHBondContact O-N 2.93Å; R79-Y81 PolarHBondContact O-N 2.8Å; R79-Y81 VanDerWaalsContact O-N 3.09Å; Y81-Q83 VanDerWaalsContact C-N 3.35Å; Y81-T85 PolarHBondContact O-OG1 2.96Å
82F88.3Confident85.1Confident7 Ų755.8 Ų55.83%0.03126%0.264CS..  trans-70.5-34.7-178.8-63.1-10.3000112.1L21 W78 R79 N84 T85 M110 E113 E115 L116L21-F82 HydrophobicContact CD2-CD1 3.68Å; L21-F82 HydrophobicContact CD2-CE1 3.82Å; W78-F82 VanDerWaalsContact C-CE1 3.43Å; W78-F82 HydrophobicContact CB-CE1 3.87Å; W78-F82 HydrophobicContact CB-CZ 3.98Å; W78-F82 VanDerWaalsContact O-CD1 3.25Å; W78-F82 WeakPolarHBondContact O-CD1 3.29Å; W78-F82 WeakPolarHBondContact O-CE1 3.5Å; R79-F82 VanDerWaalsContact CA-CE2 3.48Å; R79-F82 HydrophobicContact CB-CD2 4.13Å; R79-F82 HydrophobicContact CB-CE2 3.87Å; R79-F82 HydrophobicContact CB-CZ 4.39Å; R79-F82 PolarHBondContact O-N 2.79Å; F82-N84 PolarHBondContact O-N 2.76Å; F82-T85 VanDerWaalsContact O-CB 3.29Å; F82-T85 WeakPolarHBondContact O-CB 3.41Å; F82-T85 PolarHBondContact O-N 3.49Å; F82-M110 HydrophobicContact CD1-CE 4.48Å; F82-M110 HydrophobicContact CE1-CE 3.51Å; F82-M110 HydrophobicContact CZ-CE 3.87Å; F82-M110 HydrophobicContact CZ-CG 4.13Å; F82-E113 HydrophobicContact CD2-CB 3.91Å; F82-E113 HydrophobicContact CD2-CG 3.9Å; F82-E113 HydrophobicContact CE2-CB 4.13Å; F82-E113 HydrophobicContact CE2-CG 3.61Å; F82-E115 HydrophobicContact CB-CB 3.67Å; F82-E115 HydrophobicContact CB-CG 4.46Å; F82-L116 HydrophobicContact CB-CD1 4.43Å; F82-L116 HydrophobicContact CB-CD2 4.02Å; F82-L116 HydrophobicContact CB-CG 3.88Å; F82-L116 HydrophobicContact CD1-CD1 3.63Å; F82-L116 HydrophobicContact CD1-CD2 4.15Å; F82-L116 HydrophobicContact CD1-CG 4.01Å; F82-L116 HydrophobicContact CD2-CD1 4.08Å; F82-L116 HydrophobicContact CD2-CG 4.24Å; F82-L116 HydrophobicContact CE1-CD1 3.82Å; F82-L116 HydrophobicContact CE2-CD1 4.26Å; F82-L116 HydrophobicContact CG-CD1 3.78Å; F82-L116 HydrophobicContact CG-CD2 4.2Å; F82-L116 HydrophobicContact CG-CG 3.78Å; F82-L116 HydrophobicContact CZ-CD1 4.13Å
83Q86.4Confident86.6Confident122 Ų12251.8 Ų51.857%0.5724%0.243SC*.THydrogen-bonded Turntrans-56.2128.7179-71.7-173.5-12.800112.2Y81 T85 E115Y81-Q83 VanDerWaalsContact C-N 3.35Å; Q83-T85 PolarHBondContact O-N 2.71Å; Q83-E115 HydrophobicContact CG-CG 4.1Å
84N85Confident87.9Confident126 Ų12642.5 Ų42.567%0.67420%0.202SC*.THydrogen-bonded Turntrans62.213.7-178.6-53.5-56.7000114.7R19 F82 Q86R19-N84 WeakPolarHBondContact CB-O 3.39Å; F82-N84 PolarHBondContact O-N 2.76Å; N84-Q86 PolarHBondContact O-N 3.4Å
85T89.6Confident89.1Confident9 Ų942.7 Ų42.76%0.05520%0.204CC..  trans-74.7120.3175.9-74.50000110.3L21 Y81 F82 Q83 G87 L116L21-T85 HydrophobicContact CB-CG2 3.72Å; Y81-T85 PolarHBondContact O-OG1 2.96Å; F82-T85 VanDerWaalsContact O-CB 3.29Å; F82-T85 WeakPolarHBondContact O-CB 3.41Å; F82-T85 PolarHBondContact O-N 3.49Å; Q83-T85 PolarHBondContact O-N 2.71Å; T85-G87 WeakPolarHBondContact CG2-O 3.18Å; T85-L116 HydrophobicContact CG2-CD2 3.78Å
86Q91.6Very high90.1Very high64 Ų6443.2 Ų43.230%0.29921%0.208SC..  trans-97.4-28.2-177.3-62.5170.6-89.600112.1M18 R19 N84 A119 V120 L177M18-Q86 VanDerWaalsContact CA-OE1 3.28Å; M18-Q86 VanDerWaalsContact SD-CD 3.6Å; M18-Q86 PolarHBondContact SD-NE2 3.28Å; R19-Q86 VanDerWaalsContact N-OE1 3.1Å; R19-Q86 PolarHBondContact O-N 2.91Å; N84-Q86 PolarHBondContact O-N 3.4Å; Q86-A119 WeakPolarHBondContact O-CA 2.93Å; Q86-V120 PolarHBondContact O-N 3.01Å; Q86-L177 HydrophobicContact CB-CD2 4.09Å; Q86-L177 VanDerWaalsContact O-CD2 3.28Å; Q86-L177 WeakPolarHBondContact O-CD2 3.37Å
87G92.8Very high90.8Very high0 Ų045.3 Ų45.30%021%0.208CC..EExtended strand (participates in β ladder)trans-130.1141.5175.200000111.6R19 I20 L21 T85 V120R19-G87 PolarHBondContact O-N 2.94Å; I20-G87 CarbonylContact C-O 3.56Å; I20-G87 WeakPolarHBondContact CA-O 3.32Å; I20-G87 WeakPolarHBondContact CG2-O 3.16Å; L21-G87 PolarHBondContact N-O 3.47Å; T85-G87 WeakPolarHBondContact CG2-O 3.18Å; G87-V120 CarbonylContact C-O 3.52Å; G87-V120 WeakPolarHBondContact CA-O 3.33Å
88L94.1Very high91.8Very high0 Ų050.7 Ų50.70%023%0.231CC..EExtended strand (participates in β ladder)trans-118.9120.2175.6177.261.9000108.5L21 V23 M110 L116 V120 L121 L122L21-L88 HydrophobicContact CB-CD1 4.28Å; L21-L88 HydrophobicContact CD2-CD1 4.27Å; L21-L88 HydrophobicContact CG-CD1 4.2Å; L21-L88 CarbonylContact O-C 3.58Å; L21-L88 WeakPolarHBondContact O-CA 3.49Å; V23-L88 HydrophobicContact CG2-CD1 3.53Å; L88-M110 HydrophobicContact CD1-CE 3.74Å; L88-M110 HydrophobicContact CD2-CE 4.22Å; L88-L116 HydrophobicContact CD2-CD1 4.42Å; L88-V120 PolarHBondContact N-O 3.48Å; L88-L121 HydrophobicContact CB-CD1 4.35Å; L88-L121 HydrophobicContact CD2-CD1 3.98Å; L88-L121 HydrophobicContact CG-CD1 4.02Å; L88-L121 CarbonylContact O-C 3.59Å; L88-L121 WeakPolarHBondContact O-CA 3.17Å; L88-L122 PolarHBondContact O-N 3.21Å
89I95.3Very high92.4Very high1 Ų153.1 Ų53.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-101.2114169.9-57.6177.4000107.8I20 L21 M22 V23 V91 L122 F124 L170 L173I20-I89 HydrophobicContact CG2-CD1 3.86Å; I20-I89 HydrophobicContact CG2-CG1 3.8Å; L21-I89 PolarHBondContact O-N 3.06Å; M22-I89 CarbonylContact C-O 3.57Å; M22-I89 VanDerWaalsContact CA-O 3.31Å; M22-I89 WeakPolarHBondContact CA-O 3.4Å; M22-I89 HydrophobicContact CB-CB 4.07Å; M22-I89 HydrophobicContact CG-CB 4Å; M22-I89 HydrophobicContact CG-CG2 3.91Å; M22-I89 HydrophobicContact SD-CG2 4.09Å; V23-I89 PolarHBondContact N-O 3.35Å; I89-V91 HydrophobicContact CG2-CG2 4.18Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.46Å; I89-L122 HydrophobicContact CD1-CD2 4.48Å; I89-L122 HydrophobicContact CG1-CB 4.37Å; I89-L122 HydrophobicContact CG1-CD2 4.25Å; I89-F124 HydrophobicContact CD1-CE2 4.48Å; I89-F124 HydrophobicContact CG2-CD2 3.38Å; I89-F124 HydrophobicContact CG2-CE2 3.61Å; I89-F124 HydrophobicContact CG2-CG 4.33Å; I89-L170 HydrophobicContact CD1-CD2 3.84Å; I89-L173 HydrophobicContact CD1-CD2 3.93Å; I89-L173 HydrophobicContact CG1-CD2 3.72Å
90F96.6Very high93.1Very high0 Ų046.7 Ų46.70%022%0.217CC..EExtended strand (participates in β ladder)trans-105.5114.1176.9-163-96.8000110V23 V92 S103 L107 M110 L121 L122 V123 F124V23-F90 HydrophobicContact CG2-CD2 3.89Å; V23-F90 HydrophobicContact CG2-CE2 4.48Å; V23-F90 WeakPolarHBondContact O-CA 3.3Å; F90-V92 HydrophobicContact CD1-CG2 3.56Å; F90-V92 HydrophobicContact CE1-CG2 3.64Å; F90-S103 VanDerWaalsContact CZ-O 3.3Å; F90-S103 WeakPolarHBondContact CZ-O 3.3Å; F90-L107 HydrophobicContact CB-CD1 4.18Å; F90-L107 HydrophobicContact CD1-CB 4.32Å; F90-L107 HydrophobicContact CD1-CD1 4.3Å; F90-L107 HydrophobicContact CD1-CD2 4.32Å; F90-L107 HydrophobicContact CD2-CB 4.39Å; F90-L107 HydrophobicContact CD2-CD1 3.86Å; F90-L107 HydrophobicContact CE1-CB 3.94Å; F90-L107 HydrophobicContact CE2-CB 4.02Å; F90-L107 HydrophobicContact CE2-CD1 4.32Å; F90-L107 HydrophobicContact CG-CD1 3.86Å; F90-L107 HydrophobicContact CZ-CB 3.79Å; F90-M110 HydrophobicContact CD2-SD 4.45Å; F90-M110 HydrophobicContact CE2-SD 4.26Å; F90-L121 HydrophobicContact CB-CD1 4.05Å; F90-L122 PolarHBondContact N-O 3.18Å; F90-V123 HydrophobicContact CB-CG2 4.48Å; F90-V123 CarbonylContact O-C 3.5Å; F90-V123 VanDerWaalsContact O-CA 3.28Å; F90-V123 WeakPolarHBondContact O-CA 3.35Å; F90-F124 PolarHBondContact O-N 3.21Å
91V96.9Very high93.9Very high0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-97.6125.5-176.2-170.40000109.8M22 V23 A28 K30 I33 I89 F124 N126M22-V91 HydrophobicContact CG-CG2 3.77Å; M22-V91 HydrophobicContact SD-CG2 3.74Å; V23-V91 PolarHBondContact O-N 3.39Å; A28-V91 HydrophobicContact CB-CB 4.36Å; A28-V91 HydrophobicContact CB-CG1 4.07Å; A28-V91 WeakPolarHBondContact CB-O 3.38Å; A28-V91 WeakPolarHBondContact O-CG1 3.47Å; K30-V91 HydrophobicContact CG-CB 3.89Å; K30-V91 HydrophobicContact CG-CG1 4.46Å; K30-V91 HydrophobicContact CG-CG2 3.83Å; I33-V91 HydrophobicContact CD1-CG1 3.81Å; I33-V91 HydrophobicContact CD1-CG2 4Å; I89-V91 HydrophobicContact CG2-CG2 4.18Å; V91-F124 HydrophobicContact CG1-CB 4.38Å; V91-F124 HydrophobicContact CG2-CB 4.43Å; V91-F124 HydrophobicContact CG2-CD2 4.31Å; V91-N126 HydrophobicContact CG1-CB 3.96Å
92V98Very high94.6Very high1 Ų143.7 Ų43.71%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-119.5133.2179.6-172.40000109.8F90 S94 V123 F124 N126 L139 L143F90-V92 HydrophobicContact CD1-CG2 3.56Å; F90-V92 HydrophobicContact CE1-CG2 3.64Å; V92-S94 PolarHBondContact O-N 3.27Å; V92-V123 HydrophobicContact CG2-CG1 4.13Å; V92-F124 PolarHBondContact N-O 3.46Å; V92-N126 WeakPolarHBondContact O-CB 3.41Å; V92-N126 PolarHBondContact O-N 2.92Å; V92-L139 HydrophobicContact CB-CD1 4.16Å; V92-L139 HydrophobicContact CB-CD2 4.33Å; V92-L139 HydrophobicContact CG1-CD1 3.81Å; V92-L139 HydrophobicContact CG1-CG 4.46Å; V92-L139 HydrophobicContact CG2-CD2 4.44Å; V92-L143 HydrophobicContact CG2-CD1 4.11Å; V92-L143 HydrophobicContact CG2-CD2 4.48Å
93D97.9Very high95Very high20 Ų2043.6 Ų43.611%0.10722%0.218CC..EExtended strand (participates in β ladder)trans-72.2108.7167-173.5-17000109N95 D96 K127D93-N95 PolarHBondContact O-N 2.93Å; D93-N95 WeakPolarHBondContact OD1-CA 3.07Å; D93-N95 WeakPolarHBondContact OD1-CB 3.25Å; D93-N95 PolarHBondContact OD1-N 3.13Å; D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 3Å; D93-D96 PolarHBondContact OD1-N 3.49Å; D93-K127 WeakPolarHBondContact OD1-CD 3.43Å; D93-K127 VanDerWaalsContact OD2-CE 3.22Å; D93-K127 WeakPolarHBondContact OD2-CE 3.24Å; D93-K127 IonicContact OD2-NZ 3.33Å; D93-K127 PolarHBondContact OD2-NZ 3.41Å
94S98.6Very high95.5Very high0 Ų038.7 Ų38.70%020%0.198CC..THydrogen-bonded Turntrans-70.8-20.2-178.3-49.60000112.3V92 A125 N126 Q128 A133 M134V92-S94 PolarHBondContact O-N 3.27Å; S94-A125 WeakPolarHBondContact OG-CA 3.48Å; S94-A125 PolarHBondContact OG-O 2.67Å; S94-N126 WeakPolarHBondContact CB-O 3.45Å; S94-N126 PolarHBondContact N-O 3.37Å; S94-N126 PolarHBondContact OG-N 3.19Å; S94-N126 PolarHBondContact OG-O 3.16Å; S94-Q128 PolarHBondContact OG-NE2 3.16Å; S94-A133 CarbonylContact O-C 3.55Å; S94-A133 WeakPolarHBondContact O-CA 3.23Å; S94-M134 WeakPolarHBondContact O-CB 3.28Å; S94-M134 WeakPolarHBondContact O-CE 3.32Å; S94-M134 WeakPolarHBondContact O-CG 3.4Å; S94-M134 PolarHBondContact O-N 3.08Å
95N98Very high96Very high55 Ų5537.8 Ų37.829%0.29419%0.189SC..THydrogen-bonded Turntrans-88.7-14.5179-166.879.8000112.2D93 R97 L130 N132D93-N95 PolarHBondContact O-N 2.93Å; D93-N95 WeakPolarHBondContact OD1-CA 3.07Å; D93-N95 WeakPolarHBondContact OD1-CB 3.25Å; D93-N95 PolarHBondContact OD1-N 3.13Å; N95-R97 PolarHBondContact O-N 2.96Å; N95-R97 VanDerWaalsContact O-N 3.13Å; N95-L130 HydrophobicContact CB-CB 4Å; N95-L130 HydrophobicContact CB-CD1 3.56Å; N95-L130 HydrophobicContact CB-CG 4.41Å; N95-L130 WeakPolarHBondContact OD1-CB 3.36Å; N95-N132 WeakPolarHBondContact OD1-CB 3.3Å
96D97.4Very high96.2Very high29 Ų2938.4 Ų38.416%0.15519%0.192CC..  trans-86.478.4177.1-162.5-28.4000111.4D93 E98 R99 V100D93-D96 HydrophobicContact CB-CB 3.76Å; D93-D96 PolarHBondContact O-N 3Å; D93-D96 PolarHBondContact OD1-N 3.49Å; D96-E98 PolarHBondContact O-N 3.43Å; D96-E98 PolarHBondContact OD1-N 2.79Å; D96-R99 WeakPolarHBondContact OD1-CB 3.45Å; D96-R99 PolarHBondContact OD1-N 2.94Å; D96-R99 IonicContact OD1-NE 2.71Å; D96-R99 IonicContact OD2-CZ 3.58Å; D96-R99 IonicContact OD2-NE 2.81Å; D96-R99 PolarHBondContact OD2-NE 3.12Å; D96-R99 IonicContact OD2-NH2 2.98Å; D96-R99 PolarHBondContact OD2-NH2 3.24Å; D96-V100 PolarHBondContact O-N 2.99Å
97R97.1Very high96.4Very high105 Ų10535.5 Ų35.540%0.39618%0.178SC..SBendtrans-69.4-20.4-179.1-68.6175169.7-83.7-11.5113.1N95 V100 N132 M134 E138N95-R97 PolarHBondContact O-N 2.96Å; N95-R97 VanDerWaalsContact O-N 3.13Å; R97-V100 WeakPolarHBondContact O-CG1 3.28Å; R97-N132 PolarHBondContact NE-O 3.27Å; R97-N132 PolarHBondContact NH2-O 3Å; R97-M134 HydrophobicContact CG-CE 4.18Å; R97-M134 HydrophobicContact CG-CG 3.94Å; R97-M134 HydrophobicContact CG-SD 4Å; R97-E138 IonicContact CZ-OE1 2.73Å; R97-E138 IonicContact CZ-OE2 2.8Å; R97-E138 IonicContact NH1-OE1 2.88Å; R97-E138 PolarHBondContact NH1-OE1 2.81Å; R97-E138 IonicContact NH1-OE2 3.89Å; R97-E138 PolarHBondContact NH1-OE2 2.91Å; R97-E138 IonicContact NH2-OE1 2.71Å; R97-E138 IonicContact NH2-OE2 3.19Å; R97-E138 PolarHBondContact NH2-OE2 3.11Å
98E96.6Very high96.5Very high183 Ų18337.7 Ų37.786%0.85519%0.194SC*.SBendtrans-79.8-41.1-178.4-64.7-178.2179.400111.3D96D96-E98 PolarHBondContact O-N 3.43Å; D96-E98 PolarHBondContact OD1-N 2.79Å
99R96.3Very high96.5Very high68 Ų6842 Ų4226%0.25721%0.212SC..SBendtrans-97.18.6-177.2-60.6-170.7-66.2160.62.8114.8L25 D26 D96 A101 E102 S103L25-R99 HydrophobicContact CD1-CB 3.96Å; D26-R99 IonicContact OD1-NH1 2.69Å; D26-R99 PolarHBondContact OD1-NH1 2.9Å; D26-R99 IonicContact OD2-CZ 3.63Å; D26-R99 IonicContact OD2-NH1 3.3Å; D26-R99 PolarHBondContact OD2-NH1 2.74Å; D26-R99 IonicContact OD2-NH2 3.81Å; D96-R99 WeakPolarHBondContact OD1-CB 3.45Å; D96-R99 PolarHBondContact OD1-N 2.94Å; D96-R99 IonicContact OD1-NE 2.71Å; D96-R99 IonicContact OD2-CZ 3.58Å; D96-R99 IonicContact OD2-NE 2.81Å; D96-R99 PolarHBondContact OD2-NE 3.12Å; D96-R99 IonicContact OD2-NH2 2.98Å; D96-R99 PolarHBondContact OD2-NH2 3.24Å; R99-A101 VanDerWaalsContact C-N 3.29Å; R99-A101 PolarHBondContact O-N 2.77Å; R99-E102 WeakPolarHBondContact O-CB 3.37Å; R99-E102 PolarHBondContact O-N 3.24Å; R99-S103 PolarHBondContact O-N 3.26Å; R99-S103 PolarHBondContact O-OG 2.97Å; R99-S103 VanDerWaalsContact O-OG 3.07Å
100V97.4Very high96.3Very high9 Ų942.1 Ų42.16%0.05521%0.213CC..Hα-helixtrans-65.3-33175.770.10000112.6D96 R97 S103 A104 M134 K142D96-V100 PolarHBondContact O-N 2.99Å; R97-V100 WeakPolarHBondContact O-CG1 3.28Å; V100-S103 WeakPolarHBondContact O-CB 3.47Å; V100-S103 PolarHBondContact O-N 3.28Å; V100-A104 PolarHBondContact O-N 3.09Å; V100-M134 HydrophobicContact CB-CE 3.89Å; V100-M134 HydrophobicContact CB-SD 4.27Å; V100-M134 HydrophobicContact CG1-CE 4.45Å; V100-M134 HydrophobicContact CG1-SD 4.29Å; V100-M134 HydrophobicContact CG2-CE 3.85Å; V100-M134 HydrophobicContact CG2-SD 4.07Å; V100-K142 HydrophobicContact CB-CD 4.44Å; V100-K142 HydrophobicContact CG1-CD 3.6Å; V100-K142 HydrophobicContact CG2-CB 3.97Å; V100-K142 HydrophobicContact CG2-CD 4.05Å
101A97.1Very high96.1Very high69 Ų6943.4 Ų43.457%0.5722%0.219SC*.Hα-helixtrans-66.3-41175.300000111.4R99 S103 A104 E105R99-A101 VanDerWaalsContact C-N 3.29Å; R99-A101 PolarHBondContact O-N 2.77Å; A101-S103 VanDerWaalsContact C-N 3.34Å; A101-A104 WeakPolarHBondContact O-CB 3.48Å; A101-A104 PolarHBondContact O-N 3.29Å; A101-E105 PolarHBondContact O-N 3.04Å
102E96.1Very high95.9Very high49 Ų4950.3 Ų50.323%0.22925%0.252CS..Hα-helixtrans-63.1-40.8172.6179.7-178.7-163.300111.4L25 R75 R99 A104 E105 E106L25-E102 HydrophobicContact CD1-CB 4.15Å; L25-E102 HydrophobicContact CD1-CG 3.94Å; L25-E102 HydrophobicContact CD2-CG 4.32Å; R75-E102 IonicContact CZ-OE1 3.37Å; R75-E102 IonicContact NH1-OE1 2.82Å; R75-E102 PolarHBondContact NH1-OE1 3.27Å; R75-E102 IonicContact NH2-OE1 3.14Å; R75-E102 PolarHBondContact NH2-OE1 2.76Å; R99-E102 WeakPolarHBondContact O-CB 3.37Å; R99-E102 PolarHBondContact O-N 3.24Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.26Å; E102-E105 PolarHBondContact O-N 3.35Å; E102-E106 WeakPolarHBondContact O-CG 3.27Å; E102-E106 PolarHBondContact O-N 3.49Å
103S95.8Very high95.8Very high6 Ų654 Ų544%0.04227%0.269CS..Hα-helixtrans-60.1-41173.6-59.50000111.8L25 F90 R99 V100 A101 L107L25-S103 WeakPolarHBondContact CD1-OG 3.3Å; L25-S103 WeakPolarHBondContact CG-OG 3.38Å; F90-S103 VanDerWaalsContact CZ-O 3.3Å; F90-S103 WeakPolarHBondContact CZ-O 3.3Å; R99-S103 PolarHBondContact O-N 3.26Å; R99-S103 PolarHBondContact O-OG 2.97Å; R99-S103 VanDerWaalsContact O-OG 3.07Å; V100-S103 WeakPolarHBondContact O-CB 3.47Å; V100-S103 PolarHBondContact O-N 3.28Å; A101-S103 VanDerWaalsContact C-N 3.34Å; S103-L107 WeakPolarHBondContact O-CB 3.33Å; S103-L107 PolarHBondContact O-N 3.29Å
104A97.4Very high95.6Very high18 Ų1859.5 Ų59.515%0.14930%0.298CS..Hα-helixtrans-65.8-42.217700000111.9V100 A101 E102 L107 S108 K142 L143V100-A104 PolarHBondContact O-N 3.09Å; A101-A104 WeakPolarHBondContact O-CB 3.48Å; A101-A104 PolarHBondContact O-N 3.29Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.26Å; A104-L107 PolarHBondContact O-N 3.14Å; A104-S108 VanDerWaalsContact O-CB 3.3Å; A104-S108 WeakPolarHBondContact O-CB 3.45Å; A104-S108 PolarHBondContact O-N 3.1Å; A104-K142 WeakPolarHBondContact CB-O 3.29Å; A104-L143 HydrophobicContact CB-CD2 3.94Å
105E95.8Very high95.4Very high108 Ų10863.7 Ų63.751%0.50532%0.318SS..Hα-helixtrans-61.9-47.3177-167.6-169.6150.800111.3A101 E102 S108 K109A101-E105 PolarHBondContact O-N 3.04Å; E102-E105 PolarHBondContact O-N 3.35Å; E105-S108 WeakPolarHBondContact O-CB 2.99Å; E105-S108 PolarHBondContact O-N 3.19Å; E105-K109 WeakPolarHBondContact O-CG 3.37Å; E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 3.76Å; E105-K109 PolarHBondContact OE1-NZ 3.41Å
106E94.4Very high95.2Very high21 Ų2161.1 Ų61.110%0.09830%0.304CS..Hα-helixtrans-65.3-42.8178.1-69.8-56.9128.700112.2L25 R75 W78 E102 S108 K109 M110L25-E106 HydrophobicContact CD2-CG 4.17Å; R75-E106 WeakPolarHBondContact CD-OE2 3.48Å; R75-E106 IonicContact NH1-OE1 3.83Å; W78-E106 HydrophobicContact CZ3-CB 4.34Å; E102-E106 WeakPolarHBondContact O-CG 3.27Å; E102-E106 PolarHBondContact O-N 3.49Å; E106-S108 VanDerWaalsContact C-N 3.31Å; E106-S108 PolarHBondContact O-N 2.92Å; E106-K109 PolarHBondContact O-N 2.84Å; E106-K109 IonicContact OE1-NZ 2.73Å; E106-K109 PolarHBondContact OE1-NZ 3.1Å; E106-M110 VanDerWaalsContact O-CG 3.3Å; E106-M110 WeakPolarHBondContact O-CG 3.38Å; E106-M110 PolarHBondContact O-N 2.93Å
107L95.7Very high95Very high3 Ų366.3 Ų66.32%0.01633%0.325CS..Hα-helixtrans-59.2-45173.2178.860.5000110.9F90 S103 A104 K109 M110 I111 L121 L143 L145F90-L107 HydrophobicContact CB-CD1 4.18Å; F90-L107 HydrophobicContact CD1-CB 4.32Å; F90-L107 HydrophobicContact CD1-CD1 4.3Å; F90-L107 HydrophobicContact CD1-CD2 4.32Å; F90-L107 HydrophobicContact CD2-CB 4.39Å; F90-L107 HydrophobicContact CD2-CD1 3.86Å; F90-L107 HydrophobicContact CE1-CB 3.94Å; F90-L107 HydrophobicContact CE2-CB 4.02Å; F90-L107 HydrophobicContact CE2-CD1 4.32Å; F90-L107 HydrophobicContact CG-CD1 3.86Å; F90-L107 HydrophobicContact CZ-CB 3.79Å; S103-L107 WeakPolarHBondContact O-CB 3.33Å; S103-L107 PolarHBondContact O-N 3.29Å; A104-L107 PolarHBondContact O-N 3.14Å; L107-K109 PolarHBondContact O-N 2.82Å; L107-M110 PolarHBondContact O-N 2.96Å; L107-I111 HydrophobicContact CD1-CG2 3.86Å; L107-I111 HydrophobicContact CG-CG2 4.36Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 WeakPolarHBondContact O-CG2 3.36Å; L107-I111 PolarHBondContact O-N 3.21Å; L107-L121 HydrophobicContact CD1-CD1 4.04Å; L107-L121 HydrophobicContact CD1-CD2 4.18Å; L107-L121 HydrophobicContact CD2-CD2 4.46Å; L107-L143 HydrophobicContact CD2-CB 4.4Å; L107-L143 HydrophobicContact CD2-CD1 4.27Å; L107-L145 HydrophobicContact CD2-CD2 3.66Å
108S95.1Very high94.7Very high47 Ų4766.6 Ų66.633%0.32934%0.335SS..Hα-helixtrans-60.7-42.8178.9-175.60000112.1A104 E105 E106 I111 Q112A104-S108 VanDerWaalsContact O-CB 3.3Å; A104-S108 WeakPolarHBondContact O-CB 3.45Å; A104-S108 PolarHBondContact O-N 3.1Å; E105-S108 WeakPolarHBondContact O-CB 2.99Å; E105-S108 PolarHBondContact O-N 3.19Å; E106-S108 VanDerWaalsContact C-N 3.31Å; E106-S108 PolarHBondContact O-N 2.92Å; S108-I111 VanDerWaalsContact O-CG1 3.27Å; S108-I111 WeakPolarHBondContact O-CG1 3.36Å; S108-Q112 VanDerWaalsContact O-CG 3.23Å; S108-Q112 WeakPolarHBondContact O-CG 3.37Å; S108-Q112 PolarHBondContact O-N 2.96Å; S108-Q112 PolarHBondContact OG-NE2 3.18Å
109K93.1Very high94.6Very high89 Ų8958 Ų5839%0.38730%0.295SS..Hα-helixtrans-59.2-49.3174.7-71.6168.7-173160.90110.4E105 E106 L107 I111 Q112E105-K109 WeakPolarHBondContact O-CG 3.37Å; E105-K109 PolarHBondContact O-N 2.91Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 3.76Å; E105-K109 PolarHBondContact OE1-NZ 3.41Å; E106-K109 PolarHBondContact O-N 2.84Å; E106-K109 IonicContact OE1-NZ 2.73Å; E106-K109 PolarHBondContact OE1-NZ 3.1Å; L107-K109 PolarHBondContact O-N 2.82Å; K109-I111 PolarHBondContact O-N 3.35Å; K109-Q112 PolarHBondContact O-N 3.28Å
110M92.3Very high94.6Very high5 Ų554.7 Ų54.73%0.02528%0.282CS..Hα-helixtrans-62.7-44.4-177.4-69.4-172.965.500113.6L21 V23 W78 F82 L88 F90 E106 L107 Q112 E113 L116L21-M110 HydrophobicContact CD2-CE 4.25Å; V23-M110 HydrophobicContact CB-CE 4.42Å; V23-M110 HydrophobicContact CB-SD 4.45Å; V23-M110 HydrophobicContact CG1-CE 4.41Å; V23-M110 HydrophobicContact CG2-CE 3.59Å; V23-M110 HydrophobicContact CG2-SD 3.78Å; W78-M110 HydrophobicContact CE3-CE 4.44Å; W78-M110 HydrophobicContact CE3-CG 4.26Å; W78-M110 HydrophobicContact CE3-SD 3.49Å; W78-M110 HydrophobicContact CZ3-SD 3.71Å; F82-M110 HydrophobicContact CD1-CE 4.48Å; F82-M110 HydrophobicContact CE1-CE 3.51Å; F82-M110 HydrophobicContact CZ-CE 3.87Å; F82-M110 HydrophobicContact CZ-CG 4.13Å; L88-M110 HydrophobicContact CD1-CE 3.74Å; L88-M110 HydrophobicContact CD2-CE 4.22Å; F90-M110 HydrophobicContact CD2-SD 4.45Å; F90-M110 HydrophobicContact CE2-SD 4.26Å; E106-M110 VanDerWaalsContact O-CG 3.3Å; E106-M110 WeakPolarHBondContact O-CG 3.38Å; E106-M110 PolarHBondContact O-N 2.93Å; L107-M110 PolarHBondContact O-N 2.96Å; M110-Q112 PolarHBondContact O-N 2.88Å; M110-E113 WeakPolarHBondContact O-CB 3.25Å; M110-E113 PolarHBondContact O-N 2.81Å; M110-L116 HydrophobicContact CB-CD1 4.19Å; M110-L116 HydrophobicContact CE-CD1 3.96Å; M110-L116 WeakPolarHBondContact O-CD1 2.97Å
111I92.3Very high94.6Very high26 Ų2654.3 Ų54.313%0.13328%0.28CS..Hα-helixtrans-71.7-14.3-176.762.6171.4000113.7L107 S108 K109 L148 R151L107-I111 HydrophobicContact CD1-CG2 3.86Å; L107-I111 HydrophobicContact CG-CG2 4.36Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 WeakPolarHBondContact O-CG2 3.36Å; L107-I111 PolarHBondContact O-N 3.21Å; S108-I111 VanDerWaalsContact O-CG1 3.27Å; S108-I111 WeakPolarHBondContact O-CG1 3.36Å; K109-I111 PolarHBondContact O-N 3.35Å; I111-L148 HydrophobicContact CD1-CD1 3.96Å; I111-L148 HydrophobicContact CD1-CD2 3.26Å; I111-L148 HydrophobicContact CD1-CG 4.24Å; I111-R151 PolarHBondContact O-NH2 3.14Å
112Q92.7Very high94.7Very high145 Ų14551 Ų5168%0.67825%0.253SS*.THydrogen-bonded Turntrans-83.9-12.2175.5-72.9174.316.800112.6S108 K109 M110S108-Q112 VanDerWaalsContact O-CG 3.23Å; S108-Q112 WeakPolarHBondContact O-CG 3.37Å; S108-Q112 PolarHBondContact O-N 2.96Å; S108-Q112 PolarHBondContact OG-NE2 3.18Å; K109-Q112 PolarHBondContact O-N 3.28Å; M110-Q112 PolarHBondContact O-N 2.88Å
113E94.3Very high94.8Very high80 Ų8048.7 Ų48.737%0.37424%0.242SC..SBendtrans-72.7130.6178.2-60.1-77.4172.400110.2F82 M110 E115 L116 K117F82-E113 HydrophobicContact CD2-CB 3.91Å; F82-E113 HydrophobicContact CD2-CG 3.9Å; F82-E113 HydrophobicContact CE2-CB 4.13Å; F82-E113 HydrophobicContact CE2-CG 3.61Å; M110-E113 WeakPolarHBondContact O-CB 3.25Å; M110-E113 PolarHBondContact O-N 2.81Å; E113-E115 PolarHBondContact O-N 3.48Å; E113-L116 PolarHBondContact O-N 3.38Å; E113-K117 PolarHBondContact O-N 3.26Å
114D93.5Very high94.9Very high135 Ų13548.4 Ų48.472%0.72224%0.24SC*.G310 helixtrans-60.3-36.9-174.9-81.2-32.6000111.6L116 K117D114-L116 PolarHBondContact O-N 2.85Å; D114-K117 WeakPolarHBondContact O-CB 3.4Å; D114-K117 PolarHBondContact O-N 3.2Å; D114-K117 VanDerWaalsContact O-N 3.12Å
115E94.3Very high95Very high88 Ų8847.5 Ų47.541%0.41123%0.233SC..G310 helixtrans-64-23.5177.6-62.695.2146.600113.2F82 Q83 E113F82-E115 HydrophobicContact CB-CB 3.67Å; F82-E115 HydrophobicContact CB-CG 4.46Å; Q83-E115 HydrophobicContact CG-CG 4.1Å; E113-E115 PolarHBondContact O-N 3.48Å
116L94.2Very high95.1Very high0 Ų042.6 Ų42.60%021%0.21CC..G310 helixtrans-100.8-0.3177.4-67.4-177.9000112.9F82 T85 L88 M110 E113 D114 D118 A119 R151F82-L116 HydrophobicContact CB-CD1 4.43Å; F82-L116 HydrophobicContact CB-CD2 4.02Å; F82-L116 HydrophobicContact CB-CG 3.88Å; F82-L116 HydrophobicContact CD1-CD1 3.63Å; F82-L116 HydrophobicContact CD1-CD2 4.15Å; F82-L116 HydrophobicContact CD1-CG 4.01Å; F82-L116 HydrophobicContact CD2-CD1 4.08Å; F82-L116 HydrophobicContact CD2-CG 4.24Å; F82-L116 HydrophobicContact CE1-CD1 3.82Å; F82-L116 HydrophobicContact CE2-CD1 4.26Å; F82-L116 HydrophobicContact CG-CD1 3.78Å; F82-L116 HydrophobicContact CG-CD2 4.2Å; F82-L116 HydrophobicContact CG-CG 3.78Å; F82-L116 HydrophobicContact CZ-CD1 4.13Å; T85-L116 HydrophobicContact CG2-CD2 3.78Å; L88-L116 HydrophobicContact CD2-CD1 4.42Å; M110-L116 HydrophobicContact CB-CD1 4.19Å; M110-L116 HydrophobicContact CE-CD1 3.96Å; M110-L116 WeakPolarHBondContact O-CD1 2.97Å; E113-L116 PolarHBondContact O-N 3.38Å; D114-L116 PolarHBondContact O-N 2.85Å; L116-D118 PolarHBondContact O-N 2.51Å; L116-D118 VanDerWaalsContact O-N 3.11Å; L116-A119 HydrophobicContact CD2-CB 4.29Å; L116-A119 WeakPolarHBondContact O-CB 3.4Å; L116-A119 PolarHBondContact O-N 3.44Å; L116-R151 VanDerWaalsContact O-CZ 3.27Å; L116-R151 PolarHBondContact O-NH1 2.81Å; L116-R151 PolarHBondContact O-NH2 2.91Å
117K92.8Very high95.3Very high138 Ų13843.9 Ų43.960%0.622%0.215SC*.THydrogen-bonded Turntrans-48.6-43.8-175.4-179.9179.4176.3-179.20113.4E113 D114 R151E113-K117 PolarHBondContact O-N 3.26Å; D114-K117 WeakPolarHBondContact O-CB 3.4Å; D114-K117 PolarHBondContact O-N 3.2Å; D114-K117 VanDerWaalsContact O-N 3.12Å; K117-R151 PolarHBondContact O-NH1 3.45Å; K117-R151 PolarHBondContact O-NH2 2.97Å
118D92.1Very high95.4Very high112 Ų11246.7 Ų46.760%0.59923%0.228SC*.THydrogen-bonded Turntrans-92.8-4.6-176-64.8-39.4000113.7L116 R180L116-D118 PolarHBondContact O-N 2.51Å; L116-D118 VanDerWaalsContact O-N 3.11Å; D118-R180 PolarHBondContact O-NH1 3.23Å; D118-R180 PolarHBondContact O-NH2 3.14Å; D118-R180 VanDerWaalsContact O-NH2 3.11Å
119A94.6Very high95.5Very high1 Ų148.1 Ų48.11%0.00823%0.232CC..PPolyproline II helixtrans-65135.6-176.800000112.5Q86 L116 R151Q86-A119 WeakPolarHBondContact O-CA 2.93Å; L116-A119 HydrophobicContact CD2-CB 4.29Å; L116-A119 WeakPolarHBondContact O-CB 3.4Å; L116-A119 PolarHBondContact O-N 3.44Å; A119-R151 PolarHBondContact O-NH1 3.14Å
120V96.3Very high95.8Very high0 Ų046.8 Ų46.80%023%0.229CC..EExtended strand (participates in β ladder)trans-74.7129.7171-179.90000109Q86 G87 L88 T152 W172 L173 E176 L177Q86-V120 PolarHBondContact O-N 3.01Å; G87-V120 CarbonylContact C-O 3.52Å; G87-V120 WeakPolarHBondContact CA-O 3.33Å; L88-V120 PolarHBondContact N-O 3.48Å; V120-T152 HydrophobicContact CG1-CG2 4.15Å; V120-W172 HydrophobicContact CG1-CH2 3.57Å; V120-W172 HydrophobicContact CG1-CZ3 3.74Å; V120-L173 HydrophobicContact CB-CD1 3.95Å; V120-L173 HydrophobicContact CG1-CD1 3.67Å; V120-E176 HydrophobicContact CG1-CB 4Å; V120-E176 HydrophobicContact CG2-CB 4.41Å; V120-L177 HydrophobicContact CB-CD2 4.14Å; V120-L177 HydrophobicContact CG2-CD2 3.84Å
121L97.8Very high95.8Very high0 Ų052.3 Ų52.30%027%0.265CS..EExtended strand (participates in β ladder)trans-99.5121.2-176.9172.462.9000111.5L88 F90 L107 V123 L145 L148 T152 W153 H154L88-L121 HydrophobicContact CB-CD1 4.35Å; L88-L121 HydrophobicContact CD2-CD1 3.98Å; L88-L121 HydrophobicContact CG-CD1 4.02Å; L88-L121 CarbonylContact O-C 3.59Å; L88-L121 WeakPolarHBondContact O-CA 3.17Å; F90-L121 HydrophobicContact CB-CD1 4.05Å; L107-L121 HydrophobicContact CD1-CD1 4.04Å; L107-L121 HydrophobicContact CD1-CD2 4.18Å; L107-L121 HydrophobicContact CD2-CD2 4.46Å; L121-V123 HydrophobicContact CD1-CG2 4.13Å; L121-V123 HydrophobicContact CD2-CG2 4.27Å; L121-V123 HydrophobicContact CG-CG2 4.08Å; L121-L145 HydrophobicContact CD2-CD2 4.4Å; L121-L148 HydrophobicContact CD2-CD1 4.06Å; L121-T152 PolarHBondContact N-O 3.42Å; L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.1Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.5Å; L121-W153 WeakPolarHBondContact O-CA 3.12Å; L121-H154 PolarHBondContact O-N 3.36Å
122L97.9Very high96Very high0 Ų056.1 Ų56.10%029%0.286CS..EExtended strand (participates in β ladder)trans-109.5123.2165.5174.563.9000108.7L88 I89 F90 F124 H154 Q156 G169 W172 L173L88-L122 PolarHBondContact O-N 3.21Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 VanDerWaalsContact CA-O 3.27Å; I89-L122 WeakPolarHBondContact CA-O 3.46Å; I89-L122 HydrophobicContact CD1-CD2 4.48Å; I89-L122 HydrophobicContact CG1-CB 4.37Å; I89-L122 HydrophobicContact CG1-CD2 4.25Å; F90-L122 PolarHBondContact N-O 3.18Å; L122-F124 HydrophobicContact CD2-CD1 4.4Å; L122-F124 HydrophobicContact CD2-CE1 3.81Å; L122-F124 HydrophobicContact CD2-CE2 4.09Å; L122-F124 HydrophobicContact CD2-CZ 3.63Å; L122-F124 HydrophobicContact CG-CD1 4.46Å; L122-F124 HydrophobicContact CG-CE1 4.31Å; L122-F124 HydrophobicContact CG-CZ 4.49Å; L122-H154 HydrophobicContact CD1-CB 4.38Å; L122-Q156 HydrophobicContact CD1-CB 4.1Å; L122-G169 WeakPolarHBondContact CD2-O 3.35Å; L122-W172 HydrophobicContact CB-CE3 4.5Å; L122-W172 HydrophobicContact CB-CZ3 4.19Å; L122-W172 HydrophobicContact CD1-CE3 4.07Å; L122-W172 HydrophobicContact CD1-CZ3 4.39Å; L122-L173 HydrophobicContact CB-CD1 4.45Å; L122-L173 HydrophobicContact CB-CD2 4.22Å; L122-L173 HydrophobicContact CD2-CB 4.22Å; L122-L173 HydrophobicContact CD2-CD2 4.11Å
123V98.6Very high96.2Very high0 Ų050.2 Ų50.20%026%0.262CS..EExtended strand (participates in β ladder)trans-100123.3171.4-1780000109F90 V92 L121 L139 L143 L145 H154 V155 Q156F90-V123 HydrophobicContact CB-CG2 4.48Å; F90-V123 CarbonylContact O-C 3.5Å; F90-V123 VanDerWaalsContact O-CA 3.28Å; F90-V123 WeakPolarHBondContact O-CA 3.35Å; V92-V123 HydrophobicContact CG2-CG1 4.13Å; L121-V123 HydrophobicContact CD1-CG2 4.13Å; L121-V123 HydrophobicContact CD2-CG2 4.27Å; L121-V123 HydrophobicContact CG-CG2 4.08Å; V123-L139 HydrophobicContact CG1-CD2 3.85Å; V123-L143 HydrophobicContact CG1-CD1 3.81Å; V123-L143 HydrophobicContact CG2-CD1 4.49Å; V123-L145 HydrophobicContact CG2-CD1 4.07Å; V123-H154 PolarHBondContact N-O 3.14Å; V123-V155 HydrophobicContact CB-CB 4.43Å; V123-V155 HydrophobicContact CB-CG1 4.21Å; V123-V155 HydrophobicContact CB-CG2 4.1Å; V123-V155 HydrophobicContact CG1-CG1 4.24Å; V123-V155 HydrophobicContact CG2-CG2 4.49Å; V123-V155 WeakPolarHBondContact O-CA 3.11Å; V123-Q156 PolarHBondContact O-N 3.37Å
124F98.5Very high96.4Very high0 Ų046.4 Ų46.40%024%0.244CC..EExtended strand (participates in β ladder)trans-92.1108.5167.2-76.2-42.7000109.7I33 I89 F90 V91 V92 L122 N126 Q156 T158 L166 L170I33-F124 HydrophobicContact CD1-CD2 3.9Å; I33-F124 HydrophobicContact CD1-CG 4.49Å; I33-F124 HydrophobicContact CG2-CE2 4.46Å; I89-F124 HydrophobicContact CD1-CE2 4.48Å; I89-F124 HydrophobicContact CG2-CD2 3.38Å; I89-F124 HydrophobicContact CG2-CE2 3.61Å; I89-F124 HydrophobicContact CG2-CG 4.33Å; F90-F124 PolarHBondContact O-N 3.21Å; V91-F124 HydrophobicContact CG1-CB 4.38Å; V91-F124 HydrophobicContact CG2-CB 4.43Å; V91-F124 HydrophobicContact CG2-CD2 4.31Å; V92-F124 PolarHBondContact N-O 3.46Å; L122-F124 HydrophobicContact CD2-CD1 4.4Å; L122-F124 HydrophobicContact CD2-CE1 3.81Å; L122-F124 HydrophobicContact CD2-CE2 4.09Å; L122-F124 HydrophobicContact CD2-CZ 3.63Å; L122-F124 HydrophobicContact CG-CD1 4.46Å; L122-F124 HydrophobicContact CG-CE1 4.31Å; L122-F124 HydrophobicContact CG-CZ 4.49Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 3.33Å; F124-N126 VanDerWaalsContact O-N 3.08Å; F124-Q156 HydrophobicContact CD1-CB 3.92Å; F124-Q156 HydrophobicContact CD1-CG 4.19Å; F124-Q156 HydrophobicContact CE1-CB 4.07Å; F124-Q156 HydrophobicContact CE1-CG 4.04Å; F124-T158 HydrophobicContact CB-CG2 4.31Å; F124-T158 HydrophobicContact CD1-CG2 3.22Å; F124-T158 HydrophobicContact CE1-CG2 3.61Å; F124-T158 HydrophobicContact CG-CG2 3.96Å; F124-L166 HydrophobicContact CE2-CD2 4.48Å; F124-L166 HydrophobicContact CZ-CD2 4.36Å; F124-L170 HydrophobicContact CZ-CG 4.4Å
125A98.6Very high96.7Very high0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-77.485.116700000107.5S94 Q128 L139 V155 Q156 T158S94-A125 WeakPolarHBondContact OG-CA 3.48Å; S94-A125 PolarHBondContact OG-O 2.67Å; A125-Q128 WeakPolarHBondContact O-CG 3.43Å; A125-L139 HydrophobicContact CB-CD1 4.19Å; A125-L139 HydrophobicContact CB-CD2 4.06Å; A125-V155 HydrophobicContact CB-CG1 4.14Å; A125-Q156 PolarHBondContact N-O 3.07Å; A125-T158 PolarHBondContact O-N 2.99Å
126N98.5Very high96.8Very high4 Ų439.8 Ų39.82%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-89162.9-169.8-168.336.9000112.7A28 V91 V92 S94 F124 T158 A160A28-N126 PolarHBondContact O-ND2 3.18Å; V91-N126 HydrophobicContact CG1-CB 3.96Å; V92-N126 WeakPolarHBondContact O-CB 3.41Å; V92-N126 PolarHBondContact O-N 2.92Å; S94-N126 WeakPolarHBondContact CB-O 3.45Å; S94-N126 PolarHBondContact N-O 3.37Å; S94-N126 PolarHBondContact OG-N 3.19Å; S94-N126 PolarHBondContact OG-O 3.16Å; F124-N126 VanDerWaalsContact C-N 3.3Å; F124-N126 PolarHBondContact O-N 3.33Å; F124-N126 VanDerWaalsContact O-N 3.08Å; N126-T158 CarbonylContact C-O 3.54Å; N126-T158 WeakPolarHBondContact CA-O 3.38Å; N126-T158 VanDerWaalsContact CA-OG1 3.28Å; N126-T158 WeakPolarHBondContact CA-OG1 3.48Å; N126-T158 WeakPolarHBondContact CB-OG1 3.26Å; N126-T158 PolarHBondContact OD1-O 3.16Å; N126-T158 PolarHBondContact OD1-OG1 2.86Å; N126-A160 WeakPolarHBondContact OD1-CB 3.45Å; N126-A160 PolarHBondContact OD1-N 3.45Å
127K98.3Very high97Very high49 Ų4944 Ų4421%0.21325%0.25CC..  trans66.435.4-177-44-165.6-165.6172.20114.2A27 D93 D129 L130 T158A27-K127 WeakPolarHBondContact O-CE 3.37Å; A27-K127 PolarHBondContact O-NZ 3.11Å; D93-K127 WeakPolarHBondContact OD1-CD 3.43Å; D93-K127 VanDerWaalsContact OD2-CE 3.22Å; D93-K127 WeakPolarHBondContact OD2-CE 3.24Å; D93-K127 IonicContact OD2-NZ 3.33Å; D93-K127 PolarHBondContact OD2-NZ 3.41Å; K127-D129 WeakPolarHBondContact CA-OD1 3.3Å; K127-D129 PolarHBondContact O-N 2.89Å; K127-D129 VanDerWaalsContact O-N 3.16Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.22Å; K127-L130 HydrophobicContact CD-CD1 4.02Å; K127-L130 PolarHBondContact O-N 2.73Å; K127-L130 VanDerWaalsContact O-N 3.16Å; K127-T158 PolarHBondContact N-O 2.76Å; K127-T158 VanDerWaalsContact N-O 3.11Å
128Q98.4Very high97.3Very high62 Ų6240.3 Ų40.329%0.2924%0.235SC..THydrogen-bonded Turntrans-66.5-9.4177.1-67.5-73.4-48.400113.6S94 A125 L130 M134 A157 T158S94-Q128 PolarHBondContact OG-NE2 3.16Å; A125-Q128 WeakPolarHBondContact O-CG 3.43Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; Q128-M134 PolarHBondContact NE2-O 3.25Å; Q128-A157 HydrophobicContact CG-CB 4.01Å; Q128-T158 PolarHBondContact N-O 3.4Å
129D97.6Very high97.6Very high77 Ų7735 Ų3541%0.41221%0.206SC..THydrogen-bonded Turntrans-74.1-12.9172.457.1-64.5000113.7K127 C159K127-D129 WeakPolarHBondContact CA-OD1 3.3Å; K127-D129 PolarHBondContact O-N 2.89Å; K127-D129 VanDerWaalsContact O-N 3.16Å; D129-C159 HydrophobicContact CB-CB 4.47Å; D129-C159 PolarHBondContact OD1-SG 2.99Å
130L97.4Very high97.7Very high61 Ų6135.4 Ų35.432%0.31921%0.209SC..SBendtrans-87.1143.4-178.1-61.4-179.1000112.2N95 K127 Q128 N132 A133N95-L130 HydrophobicContact CB-CB 4Å; N95-L130 HydrophobicContact CB-CD1 3.56Å; N95-L130 HydrophobicContact CB-CG 4.41Å; N95-L130 WeakPolarHBondContact OD1-CB 3.36Å; K127-L130 HydrophobicContact CB-CD1 3.86Å; K127-L130 HydrophobicContact CB-CG 4.22Å; K127-L130 HydrophobicContact CD-CD1 4.02Å; K127-L130 PolarHBondContact O-N 2.73Å; K127-L130 VanDerWaalsContact O-N 3.16Å; Q128-L130 VanDerWaalsContact C-N 3.26Å; L130-N132 VanDerWaalsContact C-N 3.26Å; L130-N132 PolarHBondContact O-N 2.86Å; L130-N132 VanDerWaalsContact O-N 3.14Å; L130-A133 VanDerWaalsContact O-CB 3.29Å; L130-A133 WeakPolarHBondContact O-CB 3.27Å; L130-A133 PolarHBondContact O-N 2.87Å; L130-A133 VanDerWaalsContact O-N 3.14Å
131P94.2Very high97.8Very high121 Ų12139.8 Ų39.879%0.78623%0.233SC*.THydrogen-bonded Turntrans-65.6-22.5-168.924.9-35.3000114.9
132N95.2Very high97.8Very high106 Ų10643.5 Ų43.557%0.56725%0.248SC*.THydrogen-bonded Turntrans-108.713.5-179.3-63.6-44.2000112.8N95 R97 L130 M134N95-N132 WeakPolarHBondContact OD1-CB 3.3Å; R97-N132 PolarHBondContact NE-O 3.27Å; R97-N132 PolarHBondContact NH2-O 3Å; L130-N132 VanDerWaalsContact C-N 3.26Å; L130-N132 PolarHBondContact O-N 2.86Å; L130-N132 VanDerWaalsContact O-N 3.14Å; N132-M134 PolarHBondContact O-N 3.49Å
133A97.9Very high97.8Very high21 Ų2144.2 Ų44.217%0.17425%0.252CS..PPolyproline II helixtrans-58.8132-18000000111.6S94 L130 G135S94-A133 CarbonylContact O-C 3.55Å; S94-A133 WeakPolarHBondContact O-CA 3.23Å; L130-A133 VanDerWaalsContact O-CB 3.29Å; L130-A133 WeakPolarHBondContact O-CB 3.27Å; L130-A133 PolarHBondContact O-N 2.87Å; L130-A133 VanDerWaalsContact O-N 3.14Å; A133-G135 PolarHBondContact O-N 3.15Å
134M98.6Very high97.7Very high0 Ų045.7 Ų45.70%027%0.267CS..PPolyproline II helixtrans-64.6125.5170.4-66175.6-78.200109S94 R97 V100 Q128 N132 E138 L139 K142S94-M134 WeakPolarHBondContact O-CB 3.28Å; S94-M134 WeakPolarHBondContact O-CE 3.32Å; S94-M134 WeakPolarHBondContact O-CG 3.4Å; S94-M134 PolarHBondContact O-N 3.08Å; R97-M134 HydrophobicContact CG-CE 4.18Å; R97-M134 HydrophobicContact CG-CG 3.94Å; R97-M134 HydrophobicContact CG-SD 4Å; V100-M134 HydrophobicContact CB-CE 3.89Å; V100-M134 HydrophobicContact CB-SD 4.27Å; V100-M134 HydrophobicContact CG1-CE 4.45Å; V100-M134 HydrophobicContact CG1-SD 4.29Å; V100-M134 HydrophobicContact CG2-CE 3.85Å; V100-M134 HydrophobicContact CG2-SD 4.07Å; Q128-M134 PolarHBondContact NE2-O 3.25Å; N132-M134 PolarHBondContact O-N 3.49Å; M134-E138 HydrophobicContact CB-CB 4.39Å; M134-E138 HydrophobicContact CB-CG 4.33Å; M134-E138 HydrophobicContact CG-CG 4.32Å; M134-L139 HydrophobicContact CB-CD1 4.39Å; M134-L139 HydrophobicContact CE-CD1 4.36Å; M134-K142 HydrophobicContact SD-CD 3.75Å; M134-K142 PolarHBondContact SD-NZ 3.47Å
135G98.1Very high97.6Very high33 Ų3345.7 Ų45.734%0.3427%0.267SS..PPolyproline II helixtrans-66.8165.1173.600000111.8A133 S137 E138 L139A133-G135 PolarHBondContact O-N 3.15Å; G135-S137 VanDerWaalsContact C-N 3.27Å; G135-S137 PolarHBondContact O-N 3.33Å; G135-E138 PolarHBondContact O-N 2.67Å; G135-E138 VanDerWaalsContact O-N 3.14Å; G135-L139 PolarHBondContact O-N 3.14Å
136V98Very high97.4Very high51 Ų5150 Ų5031%0.30929%0.288SS..Hα-helixtrans-53.8-42.5-177.6172.60000112.6L139 T140 V155 A157V136-L139 PolarHBondContact O-N 3.14Å; V136-T140 WeakPolarHBondContact O-CB 3.46Å; V136-T140 PolarHBondContact O-N 2.99Å; V136-T140 PolarHBondContact O-OG1 3.15Å; V136-V155 HydrophobicContact CG1-CB 3.83Å; V136-V155 HydrophobicContact CG1-CG1 3.78Å; V136-A157 HydrophobicContact CG2-CB 3.74Å
137S97.9Very high97.1Very high87 Ų8754.1 Ų54.161%0.60832%0.316SS*.Hα-helixtrans-62.1-50.5178.5-166.30000111.7G135 L139 T140 D141G135-S137 VanDerWaalsContact C-N 3.27Å; G135-S137 PolarHBondContact O-N 3.33Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 3.39Å; S137-T140 WeakPolarHBondContact O-CB 3.37Å; S137-T140 PolarHBondContact O-N 2.92Å; S137-D141 PolarHBondContact O-N 2.98Å; S137-D141 VanDerWaalsContact O-N 3.07Å
138E98.3Very high96.9Very high61 Ų6153 Ų5329%0.28531%0.313SS..Hα-helixtrans-60.3-42.3-180-175.5-175.5174.500111.3R97 M134 G135 D141 K142R97-E138 IonicContact CZ-OE1 2.73Å; R97-E138 IonicContact CZ-OE2 2.8Å; R97-E138 IonicContact NH1-OE1 2.88Å; R97-E138 PolarHBondContact NH1-OE1 2.81Å; R97-E138 IonicContact NH1-OE2 3.89Å; R97-E138 PolarHBondContact NH1-OE2 2.91Å; R97-E138 IonicContact NH2-OE1 2.71Å; R97-E138 IonicContact NH2-OE2 3.19Å; R97-E138 PolarHBondContact NH2-OE2 3.11Å; M134-E138 HydrophobicContact CB-CB 4.39Å; M134-E138 HydrophobicContact CB-CG 4.33Å; M134-E138 HydrophobicContact CG-CG 4.32Å; G135-E138 PolarHBondContact O-N 2.67Å; G135-E138 VanDerWaalsContact O-N 3.14Å; E138-D141 PolarHBondContact O-N 3.47Å; E138-K142 HydrophobicContact CG-CD 4.41Å; E138-K142 WeakPolarHBondContact O-CG 3.21Å; E138-K142 PolarHBondContact O-N 3.06Å; E138-K142 WeakPolarHBondContact OE1-CE 3.32Å; E138-K142 IonicContact OE1-NZ 3.26Å; E138-K142 PolarHBondContact OE1-NZ 3.26Å
139L98.1Very high96.4Very high0 Ų060.4 Ų60.40%034%0.338CS..Hα-helixtrans-68.3-36.4179.6-161128.5000111.7V92 V123 A125 M134 G135 V136 S137 D141 K142 L143 V155V92-L139 HydrophobicContact CB-CD1 4.16Å; V92-L139 HydrophobicContact CB-CD2 4.33Å; V92-L139 HydrophobicContact CG1-CD1 3.81Å; V92-L139 HydrophobicContact CG1-CG 4.46Å; V92-L139 HydrophobicContact CG2-CD2 4.44Å; V123-L139 HydrophobicContact CG1-CD2 3.85Å; A125-L139 HydrophobicContact CB-CD1 4.19Å; A125-L139 HydrophobicContact CB-CD2 4.06Å; M134-L139 HydrophobicContact CB-CD1 4.39Å; M134-L139 HydrophobicContact CE-CD1 4.36Å; G135-L139 PolarHBondContact O-N 3.14Å; V136-L139 PolarHBondContact O-N 3.14Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 3.39Å; L139-D141 VanDerWaalsContact C-N 3.34Å; L139-D141 PolarHBondContact O-N 3.23Å; L139-K142 PolarHBondContact O-N 3.04Å; L139-L143 HydrophobicContact CD2-CD1 3.49Å; L139-L143 VanDerWaalsContact CD2-CD1 3.49Å; L139-L143 HydrophobicContact CD2-CG 4.23Å; L139-L143 HydrophobicContact CG-CD1 4.24Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.32Å; L139-V155 HydrophobicContact CD2-CG1 4.27Å
140T98.1Very high96Very high11 Ų1162.8 Ų62.87%0.06736%0.36CS..Hα-helixtrans-60.6-44.4174.5-58.60000111.2V136 S137 G144 L145 W153V136-T140 WeakPolarHBondContact O-CB 3.46Å; V136-T140 PolarHBondContact O-N 2.99Å; V136-T140 PolarHBondContact O-OG1 3.15Å; S137-T140 WeakPolarHBondContact O-CB 3.37Å; S137-T140 PolarHBondContact O-N 2.92Å; T140-G144 PolarHBondContact O-N 2.72Å; T140-L145 HydrophobicContact CG2-CB 4Å; T140-L145 HydrophobicContact CG2-CD1 4.26Å; T140-L145 HydrophobicContact CG2-CG 4.48Å; T140-L145 PolarHBondContact O-N 2.96Å; T140-L145 VanDerWaalsContact O-N 3.15Å; T140-W153 HydrophobicContact CG2-CH2 3.94Å; T140-W153 HydrophobicContact CG2-CZ3 4.23Å
141D97.9Very high95.9Very high92 Ų9261.1 Ų61.149%0.49235%0.35SS..Hα-helixtrans-65-49.5177.6-70.2-36.7000111.5S137 E138 L139 L143 G144 H146S137-D141 PolarHBondContact O-N 2.98Å; S137-D141 VanDerWaalsContact O-N 3.07Å; E138-D141 PolarHBondContact O-N 3.47Å; L139-D141 VanDerWaalsContact C-N 3.34Å; L139-D141 PolarHBondContact O-N 3.23Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.92Å; D141-G144 PolarHBondContact O-N 3.43Å; D141-H146 IonicContact OD1-CD2 2.64Å; D141-H146 PolarHBondContact OD1-CD2 3.17Å; D141-H146 IonicContact OD1-NE2 2.64Å; D141-H146 PolarHBondContact OD1-NE2 3.34Å
142K97.9Very high96Very high77 Ų7757.7 Ų57.734%0.33533%0.327SS..Hα-helixtrans-66-31.9-177.6-72.4-169.8-175.1176.60113.9V100 A104 M134 E138 L139 G144V100-K142 HydrophobicContact CB-CD 4.44Å; V100-K142 HydrophobicContact CG1-CD 3.6Å; V100-K142 HydrophobicContact CG2-CB 3.97Å; V100-K142 HydrophobicContact CG2-CD 4.05Å; A104-K142 WeakPolarHBondContact CB-O 3.29Å; M134-K142 HydrophobicContact SD-CD 3.75Å; M134-K142 PolarHBondContact SD-NZ 3.47Å; E138-K142 HydrophobicContact CG-CD 4.41Å; E138-K142 WeakPolarHBondContact O-CG 3.21Å; E138-K142 PolarHBondContact O-N 3.06Å; E138-K142 WeakPolarHBondContact OE1-CE 3.32Å; E138-K142 IonicContact OE1-NZ 3.26Å; E138-K142 PolarHBondContact OE1-NZ 3.26Å; L139-K142 PolarHBondContact O-N 3.04Å; K142-G144 VanDerWaalsContact C-N 3.26Å
143L97.9Very high96.1Very high15 Ų1556.3 Ų56.38%0.07931%0.314CS..THydrogen-bonded Turntrans-80.7-6.2173.2-66.4-179.1000112.9V92 A104 L107 V123 L139 D141 L145V92-L143 HydrophobicContact CG2-CD1 4.11Å; V92-L143 HydrophobicContact CG2-CD2 4.48Å; A104-L143 HydrophobicContact CB-CD2 3.94Å; L107-L143 HydrophobicContact CD2-CB 4.4Å; L107-L143 HydrophobicContact CD2-CD1 4.27Å; V123-L143 HydrophobicContact CG1-CD1 3.81Å; V123-L143 HydrophobicContact CG2-CD1 4.49Å; L139-L143 HydrophobicContact CD2-CD1 3.49Å; L139-L143 VanDerWaalsContact CD2-CD1 3.49Å; L139-L143 HydrophobicContact CD2-CG 4.23Å; L139-L143 HydrophobicContact CG-CD1 4.24Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.32Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.92Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD1 4.42Å; L143-L145 HydrophobicContact CB-CD2 3.83Å; L143-L145 HydrophobicContact CB-CG 3.8Å; L143-L145 HydrophobicContact CD1-CD1 4.36Å; L143-L145 HydrophobicContact CD1-CD2 4.46Å; L143-L145 PolarHBondContact O-N 3.44Å
144G97Very high96.1Very high31 Ų3157.9 Ų57.932%0.3232%0.318SS..THydrogen-bonded Turntrans66.725.2178.800000114.1T140 D141 K142 H146 S147T140-G144 PolarHBondContact O-N 2.72Å; D141-G144 PolarHBondContact O-N 3.43Å; K142-G144 VanDerWaalsContact C-N 3.26Å; G144-H146 PolarHBondContact O-N 3.49Å; G144-H146 VanDerWaalsContact O-N 3.14Å; G144-S147 WeakPolarHBondContact O-CB 3.46Å; G144-S147 PolarHBondContact O-N 3.26Å; G144-S147 PolarHBondContact O-OG 3.29Å
145L96.6Very high96.1Very high0 Ų058.3 Ų58.30%032%0.32CS..G310 helixtrans-64.2-24.5-171.4-56.7-177.6000113.1L107 L121 V123 T140 L143 S147 L148 W153 V155L107-L145 HydrophobicContact CD2-CD2 3.66Å; L121-L145 HydrophobicContact CD2-CD2 4.4Å; V123-L145 HydrophobicContact CG2-CD1 4.07Å; T140-L145 HydrophobicContact CG2-CB 4Å; T140-L145 HydrophobicContact CG2-CD1 4.26Å; T140-L145 HydrophobicContact CG2-CG 4.48Å; T140-L145 PolarHBondContact O-N 2.96Å; T140-L145 VanDerWaalsContact O-N 3.15Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD1 4.42Å; L143-L145 HydrophobicContact CB-CD2 3.83Å; L143-L145 HydrophobicContact CB-CG 3.8Å; L143-L145 HydrophobicContact CD1-CD1 4.36Å; L143-L145 HydrophobicContact CD1-CD2 4.46Å; L143-L145 PolarHBondContact O-N 3.44Å; L145-S147 PolarHBondContact O-N 3.32Å; L145-S147 VanDerWaalsContact O-N 3.15Å; L145-L148 HydrophobicContact CD2-CD1 3.92Å; L145-L148 WeakPolarHBondContact O-CB 3.42Å; L145-L148 WeakPolarHBondContact O-CG 3.49Å; L145-L148 PolarHBondContact O-N 2.76Å; L145-W153 HydrophobicContact CB-CD2 4.32Å; L145-W153 HydrophobicContact CB-CE3 4.4Å; L145-W153 HydrophobicContact CB-CH2 4.3Å; L145-W153 HydrophobicContact CB-CZ2 4.2Å; L145-W153 HydrophobicContact CB-CZ3 4.4Å; L145-W153 HydrophobicContact CD1-CE3 4.17Å; L145-W153 HydrophobicContact CD1-CZ3 4.32Å; L145-W153 PolarHBondContact O-NE1 2.99Å; L145-V155 HydrophobicContact CD1-CG2 3.31Å
146H94.1Very high96.2Very high92 Ų9258.5 Ų58.543%0.42631%0.312SS..G310 helixtrans-60.2-22.8175.2-66.6-53000113.9D141 G144 L148 R149D141-H146 IonicContact OD1-CD2 2.64Å; D141-H146 PolarHBondContact OD1-CD2 3.17Å; D141-H146 IonicContact OD1-NE2 2.64Å; D141-H146 PolarHBondContact OD1-NE2 3.34Å; G144-H146 PolarHBondContact O-N 3.49Å; G144-H146 VanDerWaalsContact O-N 3.14Å; H146-L148 VanDerWaalsContact C-N 3.27Å; H146-R149 PolarHBondContact O-NH1 3.05Å; H146-R149 VanDerWaalsContact O-NH1 3.16Å
147S92.6Very high96.2Very high89 Ų8957.8 Ų57.862%0.62231%0.311SS*.G310 helixtrans-74.7-16.9175.769.50000113.1G144 L145 R149G144-S147 WeakPolarHBondContact O-CB 3.46Å; G144-S147 PolarHBondContact O-N 3.26Å; G144-S147 PolarHBondContact O-OG 3.29Å; L145-S147 PolarHBondContact O-N 3.32Å; L145-S147 VanDerWaalsContact O-N 3.15Å; S147-R149 VanDerWaalsContact C-N 3.31Å; S147-R149 PolarHBondContact O-N 2.98Å
148L92.2Very high96.2Very high26 Ų2653.7 Ų53.714%0.13628%0.283CS..  trans-82.969-174-52.1-172.4000111.8I111 L121 L145 H146 R151I111-L148 HydrophobicContact CD1-CD1 3.96Å; I111-L148 HydrophobicContact CD1-CD2 3.26Å; I111-L148 HydrophobicContact CD1-CG 4.24Å; L121-L148 HydrophobicContact CD2-CD1 4.06Å; L145-L148 HydrophobicContact CD2-CD1 3.92Å; L145-L148 WeakPolarHBondContact O-CB 3.42Å; L145-L148 WeakPolarHBondContact O-CG 3.49Å; L145-L148 PolarHBondContact O-N 2.76Å; H146-L148 VanDerWaalsContact C-N 3.27Å; L148-R151 HydrophobicContact CB-CB 4.45Å
149R88.7Confident96.2Very high218 Ų21850.9 Ų50.982%0.82327%0.27SS*.THydrogen-bonded Turntrans-70.3-30.1-175.2-60.8-61.7-173.5-154.7-2.1114.4H146 S147H146-R149 PolarHBondContact O-NH1 3.05Å; H146-R149 VanDerWaalsContact O-NH1 3.16Å; S147-R149 VanDerWaalsContact C-N 3.31Å; S147-R149 PolarHBondContact O-N 2.98Å
150S89.5Confident96Very high126 Ų12651.1 Ų51.188%0.88127%0.272SS*.THydrogen-bonded Turntrans-99.56.6-173.852.90000113.9
151R94.3Very high95.7Very high26 Ų2653.4 Ų53.410%0.09829%0.286CS..SBendtrans-123.9133.9-174.8-174.4176.8-69.1-86.77110.5I111 L116 K117 A119 L148 W153I111-R151 PolarHBondContact O-NH2 3.14Å; L116-R151 VanDerWaalsContact O-CZ 3.27Å; L116-R151 PolarHBondContact O-NH1 2.81Å; L116-R151 PolarHBondContact O-NH2 2.91Å; K117-R151 PolarHBondContact O-NH1 3.45Å; K117-R151 PolarHBondContact O-NH2 2.97Å; A119-R151 PolarHBondContact O-NH1 3.14Å; L148-R151 HydrophobicContact CB-CB 4.45Å; R151-W153 VanDerWaalsContact O-CD1 3.25Å; R151-W153 PolarHBondContact O-N 2.81Å
152T97Very high95.4Very high50 Ų5054.7 Ų54.731%0.30729%0.289SS..  trans-73121.6169.7-49.50000109V120 L121 W172 E176V120-T152 HydrophobicContact CG1-CG2 4.15Å; L121-T152 PolarHBondContact N-O 3.42Å; T152-W172 HydrophobicContact CG2-CH2 4.12Å; T152-W172 HydrophobicContact CG2-CZ2 3.94Å; T152-E176 HydrophobicContact CG2-CB 4.5Å; T152-E176 HydrophobicContact CG2-CG 4.05Å
153W98.1Very high95.1Very high77 Ų7751.4 Ų51.429%0.29228%0.277SS..EExtended strand (participates in β ladder)trans-140.8157.217862.5-97.8000113.2L121 T140 L145 R151 V155 W172L121-W153 HydrophobicContact CB-CB 3.93Å; L121-W153 HydrophobicContact CD2-CB 4.1Å; L121-W153 HydrophobicContact CG-CB 4.16Å; L121-W153 CarbonylContact O-C 3.5Å; L121-W153 WeakPolarHBondContact O-CA 3.12Å; T140-W153 HydrophobicContact CG2-CH2 3.94Å; T140-W153 HydrophobicContact CG2-CZ3 4.23Å; L145-W153 HydrophobicContact CB-CD2 4.32Å; L145-W153 HydrophobicContact CB-CE3 4.4Å; L145-W153 HydrophobicContact CB-CH2 4.3Å; L145-W153 HydrophobicContact CB-CZ2 4.2Å; L145-W153 HydrophobicContact CB-CZ3 4.4Å; L145-W153 HydrophobicContact CD1-CE3 4.17Å; L145-W153 HydrophobicContact CD1-CZ3 4.32Å; L145-W153 PolarHBondContact O-NE1 2.99Å; R151-W153 VanDerWaalsContact O-CD1 3.25Å; R151-W153 PolarHBondContact O-N 2.81Å; W153-V155 HydrophobicContact CE3-CG2 4.11Å; W153-V155 HydrophobicContact CZ3-CG2 3.97Å; W153-W172 VanDerWaalsContact C-CH2 3.42Å
154H98.3Very high95Very high54 Ų5454.2 Ų54.225%0.2530%0.295CS..EExtended strand (participates in β ladder)trans-146149.1171.3178.356.5000110.5L121 L122 V123 Q156 W172L121-H154 PolarHBondContact O-N 3.36Å; L122-H154 HydrophobicContact CD1-CB 4.38Å; V123-H154 PolarHBondContact N-O 3.14Å; H154-Q156 PolarHBondContact NE2-OE1 3.5Å; H154-W172 HydrophobicContact CB-CD2 3.42Å; H154-W172 VanDerWaalsContact CB-CD2 3.42Å; H154-W172 HydrophobicContact CB-CE3 3.52Å; H154-W172 HydrophobicContact CB-CG 4.2Å; H154-W172 HydrophobicContact CB-CH2 3.45Å; H154-W172 VanDerWaalsContact CB-CH2 3.45Å; H154-W172 HydrophobicContact CB-CZ2 3.34Å; H154-W172 HydrophobicContact CB-CZ3 3.54Å; H154-W172 AromaticContact CD2-CD2 3.9Å; H154-W172 AromaticContact CD2-CG 3.87Å; H154-W172 AromaticContact CG-CD2 3.83Å; H154-W172 AromaticContact CG-CE2 3.95Å
155V98.6Very high95Very high9 Ų953 Ų536%0.05528%0.283CS..EExtended strand (participates in β ladder)trans-116123.6174.1-171.80000108.4V123 A125 V136 L139 L145 W153V123-V155 HydrophobicContact CB-CB 4.43Å; V123-V155 HydrophobicContact CB-CG1 4.21Å; V123-V155 HydrophobicContact CB-CG2 4.1Å; V123-V155 HydrophobicContact CG1-CG1 4.24Å; V123-V155 HydrophobicContact CG2-CG2 4.49Å; V123-V155 WeakPolarHBondContact O-CA 3.11Å; A125-V155 HydrophobicContact CB-CG1 4.14Å; V136-V155 HydrophobicContact CG1-CB 3.83Å; V136-V155 HydrophobicContact CG1-CG1 3.78Å; L139-V155 HydrophobicContact CD2-CG1 4.27Å; L145-V155 HydrophobicContact CD1-CG2 3.31Å; W153-V155 HydrophobicContact CE3-CG2 4.11Å; W153-V155 HydrophobicContact CZ3-CG2 3.97Å
156Q98.7Very high94.8Very high37 Ų3753 Ų5317%0.17328%0.283CS..EExtended strand (participates in β ladder)trans-116122.5-179-178.76052.900109.6L122 V123 F124 A125 H154 T158 G165L122-Q156 HydrophobicContact CD1-CB 4.1Å; V123-Q156 PolarHBondContact O-N 3.37Å; F124-Q156 HydrophobicContact CD1-CB 3.92Å; F124-Q156 HydrophobicContact CD1-CG 4.19Å; F124-Q156 HydrophobicContact CE1-CB 4.07Å; F124-Q156 HydrophobicContact CE1-CG 4.04Å; A125-Q156 PolarHBondContact N-O 3.07Å; H154-Q156 PolarHBondContact NE2-OE1 3.5Å; Q156-T158 HydrophobicContact CG-CG2 3.95Å; Q156-G165 WeakPolarHBondContact CG-O 3.43Å
157A98.6Very high94.7Very high35 Ų3553.4 Ų53.429%0.28928%0.281SS..EExtended strand (participates in β ladder)trans-64.7130.2168.200000109.8Q128 V136Q128-A157 HydrophobicContact CG-CB 4.01Å; V136-A157 HydrophobicContact CG2-CB 3.74Å
158T98.4Very high94.8Very high1 Ų154.1 Ų54.11%0.00627%0.274CS..  trans-140153.1-179.163.20000113.9F124 A125 N126 K127 Q128 Q156 T164 L166F124-T158 HydrophobicContact CB-CG2 4.31Å; F124-T158 HydrophobicContact CD1-CG2 3.22Å; F124-T158 HydrophobicContact CE1-CG2 3.61Å; F124-T158 HydrophobicContact CG-CG2 3.96Å; A125-T158 PolarHBondContact O-N 2.99Å; N126-T158 CarbonylContact C-O 3.54Å; N126-T158 WeakPolarHBondContact CA-O 3.38Å; N126-T158 VanDerWaalsContact CA-OG1 3.28Å; N126-T158 WeakPolarHBondContact CA-OG1 3.48Å; N126-T158 WeakPolarHBondContact CB-OG1 3.26Å; N126-T158 PolarHBondContact OD1-O 3.16Å; N126-T158 PolarHBondContact OD1-OG1 2.86Å; K127-T158 PolarHBondContact N-O 2.76Å; K127-T158 VanDerWaalsContact N-O 3.11Å; Q128-T158 PolarHBondContact N-O 3.4Å; Q156-T158 HydrophobicContact CG-CG2 3.95Å; T158-T164 VanDerWaalsContact CA-O 3.3Å; T158-T164 WeakPolarHBondContact CA-O 3.38Å; T158-L166 HydrophobicContact CG2-CD2 3.89Å
159C97.4Very high95Very high3 Ų352.9 Ų52.92%0.0227%0.268CS..BIsolated β-bridgetrans-125.4102.3162.11770000107.8D129 T161 Q162 G163 T164D129-C159 HydrophobicContact CB-CB 4.47Å; D129-C159 PolarHBondContact OD1-SG 2.99Å; C159-T161 VanDerWaalsContact C-N 3.27Å; C159-T161 PolarHBondContact O-N 3.32Å; C159-T161 PolarHBondContact SG-OG1 3.38Å; C159-Q162 HydrophobicContact CB-CB 4.17Å; C159-Q162 HydrophobicContact CB-CG 4.49Å; C159-Q162 PolarHBondContact O-N 2.96Å; C159-Q162 VanDerWaalsContact SG-CG 3.54Å; C159-G163 WeakPolarHBondContact O-CA 3.22Å; C159-G163 PolarHBondContact O-N 2.64Å; C159-T164 VanDerWaalsContact CB-OG1 3.3Å; C159-T164 WeakPolarHBondContact CB-OG1 3.38Å; C159-T164 PolarHBondContact N-O 2.94Å; C159-T164 VanDerWaalsContact N-O 3.1Å; C159-T164 PolarHBondContact N-OG1 3.23Å; C159-T164 PolarHBondContact O-N 3.3Å
160A93.7Very high95.1Very high4 Ų442.5 Ų42.53%0.03323%0.229CC..THydrogen-bonded Turntrans-59.9-35.2-175.100000113.6T32 I33 N126T32-A160 HydrophobicContact CG2-CB 3.74Å; I33-A160 HydrophobicContact CD1-CB 4.41Å; I33-A160 HydrophobicContact CG1-CB 3.51Å; N126-A160 WeakPolarHBondContact OD1-CB 3.45Å; N126-A160 PolarHBondContact OD1-N 3.45Å
161T92.4Very high95.2Very high60 Ų6038.8 Ų38.837%0.36820%0.199SC..THydrogen-bonded Turntrans-68.1-43179.451.50000111.1T32 K36 I42 C159T32-T161 HydrophobicContact CG2-CG2 4.09Å; K36-T161 PolarHBondContact NZ-O 2.85Å; I42-T161 WeakPolarHBondContact CD1-O 3.22Å; I42-T161 VanDerWaalsContact CG1-O 3.25Å; I42-T161 WeakPolarHBondContact CG1-O 3.45Å; C159-T161 VanDerWaalsContact C-N 3.27Å; C159-T161 PolarHBondContact O-N 3.32Å; C159-T161 PolarHBondContact SG-OG1 3.38Å
162Q92.6Very high95.2Very high118 Ų11840 Ų4055%0.55120%0.204SC*.THydrogen-bonded Turntrans-80.4-27.2178.5-61.9179.332.500112.4K36 C159 T164K36-Q162 WeakPolarHBondContact CE-O 3.12Å; K36-Q162 PolarHBondContact NZ-O 2.77Å; C159-Q162 HydrophobicContact CB-CB 4.17Å; C159-Q162 HydrophobicContact CB-CG 4.49Å; C159-Q162 PolarHBondContact O-N 2.96Å; C159-Q162 VanDerWaalsContact SG-CG 3.54Å; Q162-T164 VanDerWaalsContact C-N 3.35Å; Q162-T164 HydrophobicContact CB-CG2 4.07Å
163G91.3Very high95Very high9 Ų937.6 Ų37.69%0.09319%0.189CC..THydrogen-bonded Turntrans87.3-0.7-175.200000114.2C159 L166C159-G163 WeakPolarHBondContact O-CA 3.22Å; C159-G163 PolarHBondContact O-N 2.64Å; G163-L166 PolarHBondContact O-N 3.31Å
164T95.6Very high94.5Very high73 Ų7334.2 Ų34.245%0.44818%0.177SC..BIsolated β-bridgetrans-65.1134.8-178.658.70000110.8T158 C159 Q162 L166T158-T164 VanDerWaalsContact CA-O 3.3Å; T158-T164 WeakPolarHBondContact CA-O 3.38Å; C159-T164 VanDerWaalsContact CB-OG1 3.3Å; C159-T164 WeakPolarHBondContact CB-OG1 3.38Å; C159-T164 PolarHBondContact N-O 2.94Å; C159-T164 VanDerWaalsContact N-O 3.1Å; C159-T164 PolarHBondContact N-OG1 3.23Å; C159-T164 PolarHBondContact O-N 3.3Å; Q162-T164 VanDerWaalsContact C-N 3.35Å; Q162-T164 HydrophobicContact CB-CG2 4.07Å; T164-L166 PolarHBondContact O-N 3.29Å
165G96.6Very high94.1Very high6 Ų635.9 Ų35.96%0.06219%0.188CC..THydrogen-bonded Turntrans81-14.317800000114.9Q156 E168 G169Q156-G165 WeakPolarHBondContact CG-O 3.43Å; G165-E168 WeakPolarHBondContact CA-OE2 3.14Å; G165-E168 PolarHBondContact N-OE2 3.41Å; G165-E168 VanDerWaalsContact N-OE2 3.16Å; G165-G169 PolarHBondContact O-N 3.47Å; G165-G169 VanDerWaalsContact O-N 3.14Å
166L93.4Very high93.9Very high0 Ų037.2 Ų37.20%019%0.194CC..Hα-helixtrans-65.8-48.6-177.2-61.9-175.1000111.2I33 K36 L37 F124 T158 G163 T164 G169 L170I33-L166 HydrophobicContact CD1-CD2 4.13Å; I33-L166 HydrophobicContact CG1-CD2 3.85Å; I33-L166 HydrophobicContact CG2-CD1 4.41Å; I33-L166 HydrophobicContact CG2-CD2 4.1Å; K36-L166 HydrophobicContact CB-CD1 4.18Å; K36-L166 HydrophobicContact CG-CD1 3.95Å; L37-L166 HydrophobicContact CD2-CB 4.35Å; L37-L166 HydrophobicContact CD2-CD1 4.49Å; F124-L166 HydrophobicContact CE2-CD2 4.48Å; F124-L166 HydrophobicContact CZ-CD2 4.36Å; T158-L166 HydrophobicContact CG2-CD2 3.89Å; G163-L166 PolarHBondContact O-N 3.31Å; T164-L166 PolarHBondContact O-N 3.29Å; L166-G169 PolarHBondContact O-N 3.07Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 2.98Å
167Y91Very high93.4Very high100 Ų10035.7 Ų35.739%0.39219%0.186SC..Hα-helixtrans-68.8-36.8-177.7-66.4-71.3000111.8L37 Y58 L170 D171L37-Y167 HydrophobicContact CD2-CD1 4.48Å; L37-Y167 HydrophobicContact CD2-CE1 4.02Å; Y58-Y167 HydrophobicContact CD2-CD1 4.24Å; Y58-Y167 HydrophobicContact CD2-CE1 4.25Å; Y58-Y167 AromaticContact CE2-CD1 3.42Å; Y58-Y167 HydrophobicContact CE2-CD1 3.42Å; Y58-Y167 VanDerWaalsContact CE2-CD1 3.42Å; Y58-Y167 AromaticContact CE2-CE1 3.73Å; Y58-Y167 HydrophobicContact CE2-CE1 3.73Å; Y58-Y167 AromaticContact CZ-CD1 3.78Å; Y167-L170 PolarHBondContact O-N 2.94Å; Y167-D171 VanDerWaalsContact O-CB 3.24Å; Y167-D171 WeakPolarHBondContact O-CB 3.38Å; Y167-D171 VanDerWaalsContact O-CG 3.23Å; Y167-D171 PolarHBondContact O-N 2.87Å
168E95.3Very high92.7Very high104 Ų10437.4 Ų37.449%0.48620%0.196SC..Hα-helixtrans-62.9-44.4177.2-62.888.3155.600111.4G165 D171 W172G165-E168 WeakPolarHBondContact CA-OE2 3.14Å; G165-E168 PolarHBondContact N-OE2 3.41Å; G165-E168 VanDerWaalsContact N-OE2 3.16Å; E168-D171 PolarHBondContact O-N 2.78Å; E168-W172 PolarHBondContact O-N 2.73Å
169G95.8Very high92.2Very high0 Ų044.3 Ų44.30%023%0.226CC..Hα-helixtrans-66.1-42.5175.600000112.6L122 G165 L166 D171 W172 L173L122-G169 WeakPolarHBondContact CD2-O 3.35Å; G165-G169 PolarHBondContact O-N 3.47Å; G165-G169 VanDerWaalsContact O-N 3.14Å; L166-G169 PolarHBondContact O-N 3.07Å; G169-D171 VanDerWaalsContact C-N 3.34Å; G169-W172 PolarHBondContact O-N 3.19Å; G169-L173 WeakPolarHBondContact O-CB 3.45Å; G169-L173 PolarHBondContact O-N 3.04Å
170L91.6Very high91Very high0 Ų051 Ų510%025%0.251CS..Hα-helixtrans-67.3-34.6176.7-69.1173.9000112.6L37 Y58 I89 F124 L166 Y167 L173 S174L37-L170 HydrophobicContact CD1-CD1 3.72Å; L37-L170 HydrophobicContact CD2-CD1 3.65Å; L37-L170 HydrophobicContact CG-CD1 4.35Å; Y58-L170 HydrophobicContact CD1-CB 3.78Å; Y58-L170 HydrophobicContact CD1-CD1 4.18Å; Y58-L170 HydrophobicContact CE1-CB 3.68Å; Y58-L170 HydrophobicContact CG-CD1 4.26Å; I89-L170 HydrophobicContact CD1-CD2 3.84Å; F124-L170 HydrophobicContact CZ-CG 4.4Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 2.98Å; Y167-L170 PolarHBondContact O-N 2.94Å; L170-L173 PolarHBondContact O-N 3.16Å; L170-S174 VanDerWaalsContact O-CB 3.27Å; L170-S174 WeakPolarHBondContact O-CB 3.49Å; L170-S174 PolarHBondContact O-N 3.28Å
171D90.4Very high90.8Very high48 Ų4853.3 Ų53.326%0.25726%0.262SS..Hα-helixtrans-64.6-45.9174.6-83.97.5000111.2Y58 K59 Y167 E168 G169 S174 N175Y58-D171 WeakPolarHBondContact CE1-OD1 3.41Å; Y58-D171 VanDerWaalsContact CZ-OD1 3.27Å; Y58-D171 PolarHBondContact OH-OD1 2.82Å; K59-D171 VanDerWaalsContact CE-OD1 3.32Å; K59-D171 WeakPolarHBondContact CE-OD1 3.1Å; K59-D171 IonicContact NZ-OD1 3.14Å; K59-D171 PolarHBondContact NZ-OD1 2.87Å; K59-D171 IonicContact NZ-OD2 3.88Å; K59-D171 PolarHBondContact NZ-OD2 2.8Å; Y167-D171 VanDerWaalsContact O-CB 3.24Å; Y167-D171 WeakPolarHBondContact O-CB 3.38Å; Y167-D171 VanDerWaalsContact O-CG 3.23Å; Y167-D171 PolarHBondContact O-N 2.87Å; E168-D171 PolarHBondContact O-N 2.78Å; G169-D171 VanDerWaalsContact C-N 3.34Å; D171-S174 PolarHBondContact O-N 2.66Å; D171-N175 WeakPolarHBondContact O-CB 3.19Å; D171-N175 PolarHBondContact O-N 2.98Å; D171-N175 PolarHBondContact O-ND2 3.13Å; D171-N175 VanDerWaalsContact O-ND2 3.14Å
172W95.2Very high90.8Very high52 Ų5252.9 Ų52.920%0.19726%0.256CS..Hα-helixtrans-57.6-49.7172.8176.587.3000111.3V120 L122 T152 W153 H154 E168 G169 S174 N175 E176V120-W172 HydrophobicContact CG1-CH2 3.57Å; V120-W172 HydrophobicContact CG1-CZ3 3.74Å; L122-W172 HydrophobicContact CB-CE3 4.5Å; L122-W172 HydrophobicContact CB-CZ3 4.19Å; L122-W172 HydrophobicContact CD1-CE3 4.07Å; L122-W172 HydrophobicContact CD1-CZ3 4.39Å; T152-W172 HydrophobicContact CG2-CH2 4.12Å; T152-W172 HydrophobicContact CG2-CZ2 3.94Å; W153-W172 VanDerWaalsContact C-CH2 3.42Å; H154-W172 HydrophobicContact CB-CD2 3.42Å; H154-W172 VanDerWaalsContact CB-CD2 3.42Å; H154-W172 HydrophobicContact CB-CE3 3.52Å; H154-W172 HydrophobicContact CB-CG 4.2Å; H154-W172 HydrophobicContact CB-CH2 3.45Å; H154-W172 VanDerWaalsContact CB-CH2 3.45Å; H154-W172 HydrophobicContact CB-CZ2 3.34Å; H154-W172 HydrophobicContact CB-CZ3 3.54Å; H154-W172 AromaticContact CD2-CD2 3.9Å; H154-W172 AromaticContact CD2-CG 3.87Å; H154-W172 AromaticContact CG-CD2 3.83Å; H154-W172 AromaticContact CG-CE2 3.95Å; E168-W172 PolarHBondContact O-N 2.73Å; G169-W172 PolarHBondContact O-N 3.19Å; W172-S174 VanDerWaalsContact C-N 3.34Å; W172-S174 PolarHBondContact O-N 2.71Å; W172-N175 PolarHBondContact O-N 3.3Å; W172-E176 HydrophobicContact CD2-CG 4.1Å; W172-E176 HydrophobicContact CH2-CG 4.08Å; W172-E176 HydrophobicContact CZ2-CG 3.56Å; W172-E176 PolarHBondContact O-N 3.3Å
173L92.3Very high90.7Very high0 Ų049.3 Ų49.30%024%0.24CC..Hα-helixtrans-61.3-43-179.4-176.958.9000111.6I20 I89 V120 L122 G169 L170 N175 E176 L177I20-L173 HydrophobicContact CD1-CD2 3.76Å; I20-L173 HydrophobicContact CD1-CG 4.22Å; I20-L173 HydrophobicContact CG2-CD2 4.27Å; I89-L173 HydrophobicContact CD1-CD2 3.93Å; I89-L173 HydrophobicContact CG1-CD2 3.72Å; V120-L173 HydrophobicContact CB-CD1 3.95Å; V120-L173 HydrophobicContact CG1-CD1 3.67Å; L122-L173 HydrophobicContact CB-CD1 4.45Å; L122-L173 HydrophobicContact CB-CD2 4.22Å; L122-L173 HydrophobicContact CD2-CB 4.22Å; L122-L173 HydrophobicContact CD2-CD2 4.11Å; G169-L173 WeakPolarHBondContact O-CB 3.45Å; G169-L173 PolarHBondContact O-N 3.04Å; L170-L173 PolarHBondContact O-N 3.16Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 2.69Å; L173-E176 PolarHBondContact O-N 2.98Å; L173-L177 HydrophobicContact CD1-CD1 4.1Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 HydrophobicContact CG-CG 4.49Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.4Å
174S87.5Confident90.6Very high5 Ų551.7 Ų51.74%0.03525%0.248CC..Hα-helixtrans-58.9-45.3174.9-168.70000112.4N60 L170 D171 W172 L177 S178N60-S174 PolarHBondContact OD1-OG 3.11Å; L170-S174 VanDerWaalsContact O-CB 3.27Å; L170-S174 WeakPolarHBondContact O-CB 3.49Å; L170-S174 PolarHBondContact O-N 3.28Å; D171-S174 PolarHBondContact O-N 2.66Å; W172-S174 VanDerWaalsContact C-N 3.34Å; W172-S174 PolarHBondContact O-N 2.71Å; S174-L177 PolarHBondContact O-N 3Å; S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.2Å
175N90.3Very high90.3Very high89 Ų8950.4 Ų50.448%0.47624%0.236SC..Hα-helixtrans-64.9-44.7-179.9-69.5-23.6000110.7D171 W172 L173 S178 K179D171-N175 WeakPolarHBondContact O-CB 3.19Å; D171-N175 PolarHBondContact O-N 2.98Å; D171-N175 PolarHBondContact O-ND2 3.13Å; D171-N175 VanDerWaalsContact O-ND2 3.14Å; W172-N175 PolarHBondContact O-N 3.3Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 2.69Å; N175-S178 PolarHBondContact O-N 2.81Å; N175-S178 PolarHBondContact O-OG 2.96Å; N175-K179 WeakPolarHBondContact O-CG 3.14Å; N175-K179 PolarHBondContact O-N 2.86Å
176E92.9Very high89.9Confident38 Ų3853.3 Ų53.318%0.17825%0.248CC..Hα-helixtrans-65.3-41177.2-66.9-47.913500112.9V120 T152 W172 L173 S178 K179V120-E176 HydrophobicContact CG1-CB 4Å; V120-E176 HydrophobicContact CG2-CB 4.41Å; T152-E176 HydrophobicContact CG2-CB 4.5Å; T152-E176 HydrophobicContact CG2-CG 4.05Å; W172-E176 HydrophobicContact CD2-CG 4.1Å; W172-E176 HydrophobicContact CH2-CG 4.08Å; W172-E176 HydrophobicContact CZ2-CG 3.56Å; W172-E176 PolarHBondContact O-N 3.3Å; L173-E176 PolarHBondContact O-N 2.98Å; E176-S178 VanDerWaalsContact C-N 3.28Å; E176-S178 PolarHBondContact O-N 3.42Å; E176-K179 PolarHBondContact O-N 3.42Å; E176-K179 IonicContact OE1-NZ 2.63Å; E176-K179 PolarHBondContact OE1-NZ 2.88Å; E176-K179 IonicContact OE2-NZ 2.88Å; E176-K179 PolarHBondContact OE2-NZ 3.26Å
177L88.2Confident89.6Confident4 Ų457.1 Ų57.12%0.02127%0.265CS..Hα-helixtrans-67.1-29.4177-69.1174.3000112.6M18 I20 Q86 V120 L173 S174 K179 R180M18-L177 HydrophobicContact CB-CD1 4.33Å; M18-L177 HydrophobicContact CG-CD1 4.48Å; I20-L177 HydrophobicContact CD1-CD1 3.66Å; I20-L177 HydrophobicContact CG1-CD1 4.12Å; Q86-L177 HydrophobicContact CB-CD2 4.09Å; Q86-L177 VanDerWaalsContact O-CD2 3.28Å; Q86-L177 WeakPolarHBondContact O-CD2 3.37Å; V120-L177 HydrophobicContact CB-CD2 4.14Å; V120-L177 HydrophobicContact CG2-CD2 3.84Å; L173-L177 HydrophobicContact CD1-CD1 4.1Å; L173-L177 HydrophobicContact CD1-CG 4.21Å; L173-L177 HydrophobicContact CG-CD1 3.98Å; L173-L177 HydrophobicContact CG-CG 4.49Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.49Å; L173-L177 PolarHBondContact O-N 3.4Å; S174-L177 PolarHBondContact O-N 3Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 2.73Å; L177-R180 PolarHBondContact O-N 2.71Å
178S85.8Confident89.5Confident72 Ų7253.8 Ų53.850%0.50326%0.256SS..Hα-helixtrans-71.7-20.2177.875.60000114S174 N175 E176 R180S174-S178 WeakPolarHBondContact O-CB 3.45Å; S174-S178 PolarHBondContact O-N 3.2Å; N175-S178 PolarHBondContact O-N 2.81Å; N175-S178 PolarHBondContact O-OG 2.96Å; E176-S178 VanDerWaalsContact C-N 3.28Å; E176-S178 PolarHBondContact O-N 3.42Å; S178-R180 PolarHBondContact O-N 3.37Å
179K86Confident89.1Confident145 Ų14549.7 Ų49.763%0.6324%0.236SC*.THydrogen-bonded Turntrans-76.9-7.9176.4-62.7172.1-165.2169.30112.7N175 E176 L177N175-K179 WeakPolarHBondContact O-CG 3.14Å; N175-K179 PolarHBondContact O-N 2.86Å; E176-K179 PolarHBondContact O-N 3.42Å; E176-K179 IonicContact OE1-NZ 2.63Å; E176-K179 PolarHBondContact OE1-NZ 2.88Å; E176-K179 IonicContact OE2-NZ 2.88Å; E176-K179 PolarHBondContact OE2-NZ 3.26Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 2.73Å
180R72.7Confident88.4Confident143 Ų14354.2 Ų54.254%0.5426%0.258SS..  trans-109.20-177.4-62.6-177.7175.5-136.512.3112.1K16 D118 L177 S178K16-R180 PolarHBondContact NZ-OXT 3.29Å; D118-R180 PolarHBondContact O-NH1 3.23Å; D118-R180 PolarHBondContact O-NH2 3.14Å; D118-R180 VanDerWaalsContact O-NH2 3.11Å; L177-R180 PolarHBondContact O-N 2.71Å; S178-R180 PolarHBondContact O-N 3.37Å

Retrieved 180 of 180 residues in 391.2 ms (Link to these results)

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