G4V9L4_SCHMA Loading...

UPF0565 protein C2orf69 homolog

AlphaFold DB , UniProt , Accession G4V9L4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 314 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
1M66.3Low94.1Very high188 Ų18874 Ų7493%0.92637%0.37SS*.  01450-70.3175.1177.800108.3L3 T26M1-L3 PolarHBondContact O-N 2.65Å; M1-T26 HydrophobicContact CB-CG2 4.13Å; M1-T26 HydrophobicContact SD-CG2 4.18Å
2C88Confident94.5Very high111 Ų11170.8 Ų70.875%0.7536%0.358SS*.PPolyproline II helixtrans-76.8121.3176.7-174.30000109
3L95.9Very high94.8Very high72 Ų7265.8 Ų65.838%0.37733%0.334SS..PPolyproline II helixtrans-76.6133.9174-67.2178.5000109.9M1 L24 G25 T26 Y70M1-L3 PolarHBondContact O-N 2.65Å; L3-L24 HydrophobicContact CB-CD1 4.13Å; L3-L24 HydrophobicContact CD1-CD1 4.44Å; L3-G25 CarbonylContact C-O 3.59Å; L3-G25 WeakPolarHBondContact CA-O 3.21Å; L3-T26 HydrophobicContact CD2-CG2 4.11Å; L3-Y70 HydrophobicContact CD1-CD1 4.19Å; L3-Y70 HydrophobicContact CD1-CE1 4.27Å; L3-Y70 HydrophobicContact CD2-CD1 4.13Å; L3-Y70 HydrophobicContact CD2-CD2 4.16Å; L3-Y70 HydrophobicContact CD2-CE1 3.62Å; L3-Y70 HydrophobicContact CD2-CE2 3.62Å; L3-Y70 HydrophobicContact CD2-CG 4.4Å
4I97.4Very high94.9Very high10 Ų1065.8 Ų65.85%0.05133%0.329CS..EExtended strand (participates in β ladder)trans-101.6125.3174.2-67.6160.9000107.5R6 F23 L24 G25 K27 E143 I146I4-R6 HydrophobicContact CG2-CG 4.24Å; I4-F23 HydrophobicContact CB-CE1 4.33Å; I4-F23 HydrophobicContact CG2-CD1 4.39Å; I4-F23 HydrophobicContact CG2-CE1 4.19Å; I4-L24 WeakPolarHBondContact O-CA 3.15Å; I4-G25 PolarHBondContact N-O 3.02Å; I4-G25 PolarHBondContact O-N 3.41Å; I4-K27 HydrophobicContact CD1-CB 4.37Å; I4-K27 HydrophobicContact CD1-CD 4.11Å; I4-K27 HydrophobicContact CD1-CG 3.24Å; I4-E143 HydrophobicContact CD1-CG 3.97Å; I4-E143 HydrophobicContact CG2-CG 4.09Å; I4-I146 HydrophobicContact CD1-CD1 4.27Å
5K97.7Very high95Very high81 Ų8169.1 Ų69.135%0.35235%0.347SS..EExtended strand (participates in β ladder)trans-112.2134171.1-171-174.165158.50109.1I22 F23 L24 E63K5-I22 HydrophobicContact CG-CG2 4.4Å; K5-F23 VanDerWaalsContact CA-O 3.29Å; K5-F23 WeakPolarHBondContact CA-O 3.49Å; K5-L24 HydrophobicContact CB-CD1 4.09Å; K5-L24 HydrophobicContact CG-CD1 4.49Å; K5-E63 HydrophobicContact CD-CG 4.46Å; K5-E63 WeakPolarHBondContact CE-OE1 3.42Å; K5-E63 IonicContact NZ-OE1 3.7Å; K5-E63 PolarHBondContact NZ-OE1 2.88Å; K5-E63 IonicContact NZ-OE2 3.89Å; K5-E63 PolarHBondContact NZ-OE2 3.47Å
6R98.2Very high95.1Very high89 Ų8973.5 Ų73.534%0.33637%0.366SS..EExtended strand (participates in β ladder)trans-138.4134.6171.9-72.1-64.3-178-86.75.8110.8I4 L8 I22 F23 L139 E143I4-R6 HydrophobicContact CG2-CG 4.24Å; R6-L8 HydrophobicContact CB-CD2 3.98Å; R6-L8 HydrophobicContact CB-CG 4.4Å; R6-I22 CarbonylContact O-C 3.59Å; R6-I22 WeakPolarHBondContact O-CA 3.28Å; R6-F23 HydrophobicContact CB-CB 4.41Å; R6-F23 PolarHBondContact N-O 3.29Å; R6-F23 PolarHBondContact O-N 3.25Å; R6-L139 HydrophobicContact CB-CD1 4.06Å; R6-L139 HydrophobicContact CG-CD1 3.8Å; R6-E143 IonicContact CZ-OE2 3.69Å; R6-E143 IonicContact NE-OE2 2.74Å; R6-E143 IonicContact NH1-OE2 2.79Å; R6-E143 IonicContact NH2-OE2 3.36Å; R6-E143 PolarHBondContact NH2-OE2 3.31Å
7E98.2Very high95.3Very high76 Ų7673 Ų7336%0.35536%0.361SS..EExtended strand (participates in β ladder)trans-92.7105.6164.5-65-177-140.700107.9K9 Y44E7-K9 PolarHBondContact O-N 2.86Å; E7-K9 WeakPolarHBondContact OE2-CE 3.27Å; E7-K9 IonicContact OE2-NZ 2.89Å; E7-K9 PolarHBondContact OE2-NZ 3.34Å; E7-Y44 HydrophobicContact CG-CE1 4.03Å; E7-Y44 VanDerWaalsContact OE2-CE1 3.29Å; E7-Y44 WeakPolarHBondContact OE2-CE1 3.28Å
8L98.5Very high95.5Very high7 Ų773.2 Ų73.24%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-9197.6176.6-50.5173.5000107R6 C11 D20 V21 F23 W85 A135 Q138 L139R6-L8 HydrophobicContact CB-CD2 3.98Å; R6-L8 HydrophobicContact CB-CG 4.4Å; L8-C11 WeakPolarHBondContact CB-SG 3.29Å; L8-C11 PolarHBondContact O-SG 2.9Å; L8-C11 VanDerWaalsContact O-SG 3.33Å; L8-D20 WeakPolarHBondContact O-CA 3.46Å; L8-V21 WeakPolarHBondContact CA-O 3.34Å; L8-V21 HydrophobicContact CB-CB 4.37Å; L8-V21 WeakPolarHBondContact CB-O 3.47Å; L8-V21 PolarHBondContact N-O 2.96Å; L8-V21 PolarHBondContact O-N 3.49Å; L8-F23 HydrophobicContact CD1-CB 4.43Å; L8-W85 HydrophobicContact CD1-CZ3 4.15Å; L8-A135 HydrophobicContact CD1-CB 4.02Å; L8-A135 WeakPolarHBondContact CD1-O 3.46Å; L8-Q138 HydrophobicContact CD2-CB 4.33Å; L8-L139 HydrophobicContact CD1-CB 4.17Å; L8-L139 HydrophobicContact CD2-CB 4.42Å; L8-L139 HydrophobicContact CD2-CD1 4.5Å
9K98.2Very high95.7Very high74 Ų7469.5 Ų69.532%0.32234%0.342SS..EExtended strand (participates in β ladder)trans-81144.9-175.5-63.1-65.4-174.6-176.80111.1E7 C11 D20 Y44E7-K9 PolarHBondContact O-N 2.86Å; E7-K9 WeakPolarHBondContact OE2-CE 3.27Å; E7-K9 IonicContact OE2-NZ 2.89Å; E7-K9 PolarHBondContact OE2-NZ 3.34Å; K9-C11 PolarHBondContact O-N 2.86Å; K9-D20 VanDerWaalsContact CA-OD1 3.3Å; K9-D20 WeakPolarHBondContact CA-OD1 3.46Å; K9-D20 HydrophobicContact CD-CB 4.3Å; K9-D20 WeakPolarHBondContact CD-OD1 3.4Å; K9-D20 IonicContact NZ-OD2 3.47Å; K9-Y44 PolarHBondContact NZ-OH 3Å
10N97.9Very high95.9Very high106 Ų10667.1 Ų67.157%0.56733%0.331SS*.EExtended strand (participates in β ladder)trans51.738.3175.4-59.6-48.5000113.7V12 H18 D20N10-V12 PolarHBondContact O-N 2.68Å; N10-H18 PolarHBondContact O-ND1 3.19Å; N10-D20 PolarHBondContact N-OD1 3.3Å
11C98.6Very high96Very high0 Ų063.9 Ų63.90%032%0.315CS..EExtended strand (participates in β ladder)trans-58.3126.6172.3-64.10000109.8L8 K9 H18 N19 V21 L131 Q138L8-C11 WeakPolarHBondContact CB-SG 3.29Å; L8-C11 PolarHBondContact O-SG 2.9Å; L8-C11 VanDerWaalsContact O-SG 3.33Å; K9-C11 PolarHBondContact O-N 2.86Å; C11-H18 VanDerWaalsContact O-CA 3.3Å; C11-H18 WeakPolarHBondContact O-CA 3.49Å; C11-N19 WeakPolarHBondContact CB-O 3.44Å; C11-N19 PolarHBondContact N-O 3.35Å; C11-N19 PolarHBondContact O-N 2.98Å; C11-V21 HydrophobicContact CB-CG2 4.04Å; C11-L131 HydrophobicContact CB-CD1 3.52Å; C11-L131 VanDerWaalsContact O-CD1 3.31Å; C11-L131 WeakPolarHBondContact O-CD1 3.41Å; C11-Q138 PolarHBondContact SG-OE1 3.24Å
12V98.7Very high97.6Very high36 Ų3655 Ų5522%0.21827%0.271CS..EExtended strand (participates in β ladder)trans-76.1130.8-179-176.80000108.8N10 N134N10-V12 PolarHBondContact O-N 2.68Å; V12-N134 WeakPolarHBondContact O-CB 3.38Å; V12-N134 PolarHBondContact O-ND2 3.49Å
13G98.3Very high98.1Very high5 Ų549.7 Ų49.75%0.05224%0.236CC..  trans-115.2-156.316800000111.1K17G13-K17 WeakPolarHBondContact CA-O 3.25Å; G13-K17 PolarHBondContact N-O 2.68Å
14Y97Very high98.2Very high66 Ų6646.5 Ų46.526%0.25922%0.219SC..G310 helixtrans-62.9140.8-178.5-178.2-128.3000112.9E16 K17 T123 M126 H127Y14-E16 VanDerWaalsContact C-N 3.34Å; Y14-E16 PolarHBondContact O-N 2.91Å; Y14-K17 WeakPolarHBondContact O-CB 3.43Å; Y14-K17 WeakPolarHBondContact O-CG 3.42Å; Y14-K17 PolarHBondContact O-N 3.02Å; Y14-T123 HydrophobicContact CD1-CG2 4.47Å; Y14-M126 HydrophobicContact CD1-CB 3.75Å; Y14-M126 HydrophobicContact CD1-SD 4.23Å; Y14-M126 HydrophobicContact CD2-CB 4.23Å; Y14-M126 HydrophobicContact CD2-CE 3.92Å; Y14-M126 HydrophobicContact CE1-CB 4.16Å; Y14-M126 HydrophobicContact CE1-CE 3.99Å; Y14-M126 HydrophobicContact CE1-SD 3.66Å; Y14-M126 HydrophobicContact CE2-CE 3.28Å; Y14-M126 HydrophobicContact CE2-SD 4.1Å; Y14-M126 HydrophobicContact CG-CB 3.79Å; Y14-M126 VanDerWaalsContact CZ-SD 3.59Å; Y14-M126 WeakPolarHBondContact OH-CE 3.17Å; Y14-H127 PolarHBondContact N-ND1 3.17Å
15L96.1Very high98.2Very high115 Ų11546 Ų4660%0.60222%0.217SC*.G310 helixtrans55.840.6-178.2-59174.9000114.2K17L15-K17 PolarHBondContact O-N 2.98Å
16E97.4Very high98.2Very high140 Ų14042.3 Ų42.365%0.65420%0.201SC*.G310 helixtrans55.922-179-57-60134.400113.2Y14 H18Y14-E16 VanDerWaalsContact C-N 3.34Å; Y14-E16 PolarHBondContact O-N 2.91Å; E16-H18 PolarHBondContact O-CD2 3.2Å; E16-H18 PolarHBondContact O-NE2 3.1Å
17K98.5Very high98Very high65 Ų6542.3 Ų42.328%0.28320%0.203SC..  trans-78.4141.9173.2-66.4-179.4175.9-175.90109.2G13 Y14 L15 N102G13-K17 WeakPolarHBondContact CA-O 3.25Å; G13-K17 PolarHBondContact N-O 2.68Å; Y14-K17 WeakPolarHBondContact O-CB 3.43Å; Y14-K17 WeakPolarHBondContact O-CG 3.42Å; Y14-K17 PolarHBondContact O-N 3.02Å; L15-K17 PolarHBondContact O-N 2.98Å; K17-N102 HydrophobicContact CB-CB 4.26Å; K17-N102 HydrophobicContact CD-CB 3.97Å
18H98.7Very high97.8Very high77 Ų7741.8 Ų41.836%0.35621%0.205SC..EExtended strand (participates in β ladder)trans-115.4145-175.2-60.7-99.6000113.1N10 C11 E16 S90 N102N10-H18 PolarHBondContact O-ND1 3.19Å; C11-H18 VanDerWaalsContact O-CA 3.3Å; C11-H18 WeakPolarHBondContact O-CA 3.49Å; E16-H18 PolarHBondContact O-CD2 3.2Å; E16-H18 PolarHBondContact O-NE2 3.1Å; H18-S90 WeakPolarHBondContact O-CB 3.29Å; H18-N102 PolarHBondContact O-ND2 2.88Å
19N98.8Very high97.7Very high2 Ų244.1 Ų44.11%0.01122%0.222CC..EExtended strand (participates in β ladder)trans-131.1152.8164.5-72.272.6000109.7C11 I87 R88 N102 H127 L131C11-N19 WeakPolarHBondContact CB-O 3.44Å; C11-N19 PolarHBondContact N-O 3.35Å; C11-N19 PolarHBondContact O-N 2.98Å; N19-I87 HydrophobicContact CB-CG2 4.22Å; N19-R88 PolarHBondContact ND2-O 3.31Å; N19-N102 PolarHBondContact OD1-ND2 3.33Å; N19-H127 PolarHBondContact OD1-CE1 2.93Å; N19-H127 PolarHBondContact OD1-NE2 3.49Å; N19-L131 HydrophobicContact CB-CD1 3.97Å; N19-L131 HydrophobicContact CB-CD2 3.86Å
20D98.8Very high97.6Very high22 Ų2240.9 Ų40.912%0.11821%0.209CC..EExtended strand (participates in β ladder)trans-81.7139160.5-63.3-27.4000109.3L8 K9 N10 Y44 R88L8-D20 WeakPolarHBondContact O-CA 3.46Å; K9-D20 VanDerWaalsContact CA-OD1 3.3Å; K9-D20 WeakPolarHBondContact CA-OD1 3.46Å; K9-D20 HydrophobicContact CD-CB 4.3Å; K9-D20 WeakPolarHBondContact CD-OD1 3.4Å; K9-D20 IonicContact NZ-OD2 3.47Å; N10-D20 PolarHBondContact N-OD1 3.3Å; D20-Y44 HydrophobicContact CB-CE2 4.47Å; D20-Y44 VanDerWaalsContact CB-OH 3.25Å; D20-Y44 WeakPolarHBondContact CB-OH 3.35Å; D20-R88 HydrophobicContact CB-CB 4.2Å; D20-R88 WeakPolarHBondContact O-CB 3.33Å; D20-R88 PolarHBondContact O-N 3.17Å; D20-R88 IonicContact OD2-NH1 2.67Å
21V98.9Very high97.6Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-122.4128.8177.5-177.30000109.4L8 C11 W85 I86 L131 A135L8-V21 WeakPolarHBondContact CA-O 3.34Å; L8-V21 HydrophobicContact CB-CB 4.37Å; L8-V21 WeakPolarHBondContact CB-O 3.47Å; L8-V21 PolarHBondContact N-O 2.96Å; L8-V21 PolarHBondContact O-N 3.49Å; C11-V21 HydrophobicContact CB-CG2 4.04Å; V21-W85 HydrophobicContact CG1-CE3 3.88Å; V21-I86 CarbonylContact C-O 3.58Å; V21-I86 VanDerWaalsContact CA-O 3.3Å; V21-I86 WeakPolarHBondContact CA-O 3.35Å; V21-L131 HydrophobicContact CG2-CD1 4.11Å; V21-L131 HydrophobicContact CG2-CD2 4.22Å; V21-L131 HydrophobicContact CG2-CG 4.12Å; V21-A135 HydrophobicContact CB-CB 4.38Å; V21-A135 HydrophobicContact CG1-CB 4.27Å; V21-A135 HydrophobicContact CG2-CB 4.3Å
22I98.8Very high97.6Very high0 Ų039.1 Ų39.10%020%0.202CC..EExtended strand (participates in β ladder)trans-100.8118.8172.1-50.8166.2000107.9K5 R6 Y44 L62 E63 I86K5-I22 HydrophobicContact CG-CG2 4.4Å; R6-I22 CarbonylContact O-C 3.59Å; R6-I22 WeakPolarHBondContact O-CA 3.28Å; I22-Y44 HydrophobicContact CD1-CD1 4.12Å; I22-Y44 HydrophobicContact CD1-CE1 3.5Å; I22-Y44 HydrophobicContact CG1-CE1 3.8Å; I22-L62 HydrophobicContact CD1-CB 3.55Å; I22-L62 HydrophobicContact CD1-CD1 4.28Å; I22-E63 HydrophobicContact CD1-CG 4.16Å; I22-I86 HydrophobicContact CB-CB 3.99Å; I22-I86 HydrophobicContact CB-CG1 4.22Å; I22-I86 HydrophobicContact CD1-CB 4.46Å; I22-I86 PolarHBondContact N-O 3.48Å; I22-I86 PolarHBondContact O-N 3.33Å
23F98.8Very high97.6Very high0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-93.5136.8172.8173.4-98.5000110.6I4 K5 R6 L8 H83 V84 W85 L139 I146I4-F23 HydrophobicContact CB-CE1 4.33Å; I4-F23 HydrophobicContact CG2-CD1 4.39Å; I4-F23 HydrophobicContact CG2-CE1 4.19Å; K5-F23 VanDerWaalsContact CA-O 3.29Å; K5-F23 WeakPolarHBondContact CA-O 3.49Å; R6-F23 HydrophobicContact CB-CB 4.41Å; R6-F23 PolarHBondContact N-O 3.29Å; R6-F23 PolarHBondContact O-N 3.25Å; L8-F23 HydrophobicContact CD1-CB 4.43Å; F23-H83 HydrophobicContact CE2-CB 3.85Å; F23-H83 AromaticContact CE2-CG 3.65Å; F23-H83 AromaticContact CE2-ND1 3.45Å; F23-H83 WeakPolarHBondContact CE2-ND1 3.24Å; F23-H83 HydrophobicContact CZ-CB 4.48Å; F23-H83 AromaticContact CZ-CE1 3.76Å; F23-H83 AromaticContact CZ-CG 3.86Å; F23-H83 AromaticContact CZ-ND1 3.57Å; F23-V84 WeakPolarHBondContact CA-O 3.49Å; F23-W85 HydrophobicContact CB-CE3 4.25Å; F23-W85 HydrophobicContact CB-CZ3 4.11Å; F23-W85 HydrophobicContact CD2-CD2 4.01Å; F23-W85 AromaticContact CD2-CE2 3.92Å; F23-W85 AromaticContact CD2-CE3 3.82Å; F23-W85 HydrophobicContact CD2-CE3 3.82Å; F23-W85 AromaticContact CD2-CH2 3.54Å; F23-W85 HydrophobicContact CD2-CH2 3.54Å; F23-W85 AromaticContact CD2-CZ2 3.71Å; F23-W85 HydrophobicContact CD2-CZ2 3.71Å; F23-W85 AromaticContact CD2-CZ3 3.59Å; F23-W85 HydrophobicContact CD2-CZ3 3.59Å; F23-W85 AromaticContact CE2-CH2 3.96Å; F23-W85 HydrophobicContact CE2-CH2 3.96Å; F23-W85 AromaticContact CE2-CZ2 3.81Å; F23-W85 HydrophobicContact CE2-CZ2 3.81Å; F23-W85 HydrophobicContact CE2-CZ3 4.45Å; F23-W85 HydrophobicContact CG-CH2 4.44Å; F23-W85 HydrophobicContact CG-CZ3 4.22Å; F23-L139 HydrophobicContact CB-CD2 4.41Å; F23-L139 HydrophobicContact CD1-CD1 3.8Å; F23-L139 HydrophobicContact CD1-CD2 3.72Å; F23-L139 HydrophobicContact CD1-CG 4.43Å; F23-L139 HydrophobicContact CD2-CD2 3.59Å; F23-L139 HydrophobicContact CE1-CD1 4.27Å; F23-L139 HydrophobicContact CE1-CD2 3.79Å; F23-L139 HydrophobicContact CE2-CD2 3.63Å; F23-L139 HydrophobicContact CG-CD1 4.16Å; F23-L139 HydrophobicContact CG-CD2 3.61Å; F23-L139 HydrophobicContact CZ-CD2 3.74Å; F23-I146 HydrophobicContact CE1-CD1 3.59Å; F23-I146 HydrophobicContact CZ-CD1 3.76Å
24L98.7Very high97.6Very high6 Ų637.1 Ų37.13%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-136.8123165.3-176.974.8000110.3L3 I4 K5 A66 Q67 Y70 V84L3-L24 HydrophobicContact CB-CD1 4.13Å; L3-L24 HydrophobicContact CD1-CD1 4.44Å; I4-L24 WeakPolarHBondContact O-CA 3.15Å; K5-L24 HydrophobicContact CB-CD1 4.09Å; K5-L24 HydrophobicContact CG-CD1 4.49Å; L24-A66 HydrophobicContact CB-CB 4.1Å; L24-A66 VanDerWaalsContact CD2-C 3.47Å; L24-A66 HydrophobicContact CD2-CB 4.02Å; L24-A66 WeakPolarHBondContact CD2-O 3.41Å; L24-Q67 HydrophobicContact CD2-CB 4.3Å; L24-Q67 HydrophobicContact CD2-CG 3.89Å; L24-Y70 HydrophobicContact CD2-CG 4.41Å; L24-V84 HydrophobicContact CB-CB 4.3Å; L24-V84 PolarHBondContact N-O 3.23Å; L24-V84 PolarHBondContact O-N 3.25Å
25G98.1Very high97.7Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-171.7-159.9-179.800000113.2L3 I4L3-G25 CarbonylContact C-O 3.59Å; L3-G25 WeakPolarHBondContact CA-O 3.21Å; I4-G25 PolarHBondContact N-O 3.02Å; I4-G25 PolarHBondContact O-N 3.41Å
26T96.6Very high97.9Very high3 Ų328.5 Ų28.52%0.01815%0.148CC..  trans-114.9176.8177.267.20000110.5M1 L3 T28 Y70 N81 H83M1-T26 HydrophobicContact CB-CG2 4.13Å; M1-T26 HydrophobicContact SD-CG2 4.18Å; L3-T26 HydrophobicContact CD2-CG2 4.11Å; T26-T28 VanDerWaalsContact C-N 3.28Å; T26-T28 PolarHBondContact OG1-N 3.34Å; T26-T28 PolarHBondContact OG1-OG1 2.88Å; T26-Y70 WeakPolarHBondContact CG2-OH 3.47Å; T26-N81 VanDerWaalsContact OG1-CG 3.3Å; T26-N81 PolarHBondContact OG1-ND2 3.46Å; T26-N81 PolarHBondContact OG1-OD1 3.24Å; T26-H83 PolarHBondContact N-NE2 3.45Å; T26-H83 PolarHBondContact O-NE2 3.01Å
27K94.9Very high97.9Very high88 Ų8821.9 Ų21.938%0.38312%0.117SC..SBendtrans-73.6-20.6173.7-68.7-160.7175.5-143.20113.4I4 E143 A144 Q147I4-K27 HydrophobicContact CD1-CB 4.37Å; I4-K27 HydrophobicContact CD1-CD 4.11Å; I4-K27 HydrophobicContact CD1-CG 3.24Å; K27-E143 WeakPolarHBondContact CE-OE1 3.13Å; K27-E143 IonicContact NZ-OE1 3.65Å; K27-E143 PolarHBondContact NZ-OE1 2.93Å; K27-A144 PolarHBondContact NZ-O 3.31Å; K27-Q147 PolarHBondContact O-N 2.69Å
28T94.4Very high97.9Very high66 Ų6618.8 Ų18.841%0.40510%0.103SC..SBendtrans-84.3154.5-174.349.30000110.9T26 N81 H83T26-T28 VanDerWaalsContact C-N 3.28Å; T26-T28 PolarHBondContact OG1-N 3.34Å; T26-T28 PolarHBondContact OG1-OG1 2.88Å; T28-N81 PolarHBondContact O-ND2 3.23Å; T28-N81 PolarHBondContact OG1-ND2 2.75Å; T28-N81 VanDerWaalsContact OG1-ND2 3.09Å; T28-H83 PolarHBondContact O-NE2 3.02Å
29S94.7Very high97.9Very high56 Ų5615.1 Ų15.139%0.3929%0.086SC..PPolyproline II helixtrans-51.8132.5179.7-69.50000111.5N81 Q147S29-N81 PolarHBondContact O-ND2 2.98Å; S29-Q147 WeakPolarHBondContact OG-CB 3.3Å; S29-Q147 PolarHBondContact OG-OE1 3.08Å
30P97.5Very high97.9Very high5 Ų517 Ų173%0.03210%0.096CC..PPolyproline II helixtrans-68.3149175.423.9-29.5000111.2N81 H83 Q147 Q149 I153P30-N81 CarbonylContact C-O 3.54Å; P30-N81 VanDerWaalsContact CA-O 3.29Å; P30-N81 WeakPolarHBondContact CA-O 3.33Å; P30-H83 HydrophobicContact CB-CB 3.92Å; P30-H83 HydrophobicContact CG-CB 4.4Å; P30-Q147 WeakPolarHBondContact CD-O 3.48Å; P30-Q149 HydrophobicContact CG-CG 4.42Å; P30-I153 HydrophobicContact CB-CD1 3.81Å; P30-I153 HydrophobicContact CG-CD1 3.61Å; P30-I153 WeakPolarHBondContact O-CD1 3.33Å
31T97.5Very high97.8Very high64 Ų6416.2 Ų16.239%0.3939%0.093SC..SBendtrans-97.5-12.2167.763.10000112C80 N81T31-C80 WeakPolarHBondContact OG1-CA 3.49Å; T31-C80 WeakPolarHBondContact OG1-CB 3.31Å; T31-N81 HydrophobicContact CG2-CB 4.4Å; T31-N81 PolarHBondContact N-O 3.48Å; T31-N81 PolarHBondContact OG1-N 2.8Å; T31-N81 PolarHBondContact OG1-O 2.82Å
32V98.5Very high97.8Very high5 Ų516.3 Ų16.33%0.039%0.093CC..EExtended strand (participates in β ladder)trans-161.7146.8-179.358.60000109.8L34 F73 P82 H83 P154 R156V32-L34 HydrophobicContact CG2-CD2 4.09Å; V32-F73 HydrophobicContact CB-CZ 4.4Å; V32-F73 HydrophobicContact CG1-CD1 4.38Å; V32-F73 HydrophobicContact CG1-CE1 3.54Å; V32-F73 HydrophobicContact CG1-CE2 4.41Å; V32-F73 HydrophobicContact CG1-CZ 3.56Å; V32-F73 HydrophobicContact CG2-CZ 4.25Å; V32-P82 HydrophobicContact CG1-CB 3.82Å; V32-P82 WeakPolarHBondContact O-CA 3.45Å; V32-H83 PolarHBondContact O-N 3.19Å; V32-P154 CarbonylContact C-O 3.56Å; V32-P154 WeakPolarHBondContact CA-O 3.33Å; V32-P154 HydrophobicContact CG2-CB 4.26Å; V32-P154 WeakPolarHBondContact CG2-O 3.49Å; V32-R156 HydrophobicContact CG2-CG 4.09Å
33N98.8Very high97.7Very high0 Ų016.5 Ų16.50%09%0.094CC..EExtended strand (participates in β ladder)trans-106.8128169.7-69-68.4000110.4H83 W85 Q149 I153 P154 I155 R156N33-H83 CarbonylContact C-O 3.43Å; N33-H83 WeakPolarHBondContact CA-O 3.3Å; N33-W85 PolarHBondContact OD1-NE1 3.49Å; N33-Q149 PolarHBondContact ND2-O 3.34Å; N33-I153 VanDerWaalsContact ND2-CD1 3.33Å; N33-I153 WeakPolarHBondContact ND2-CD1 3.39Å; N33-I153 WeakPolarHBondContact ND2-CG1 3.09Å; N33-P154 PolarHBondContact N-O 2.91Å; N33-I155 HydrophobicContact CB-CG1 4.33Å; N33-I155 WeakPolarHBondContact O-CA 3.38Å; N33-R156 PolarHBondContact O-N 3.36Å
34L98.9Very high97.7Very high0 Ų016.6 Ų16.60%09%0.094CC..EExtended strand (participates in β ladder)trans-102.1114.9169.6-52.3-174.7000107.9V32 F73 P82 H83 V84 W85 R156 I158 F314V32-L34 HydrophobicContact CG2-CD2 4.09Å; L34-F73 HydrophobicContact CD1-CB 3.8Å; L34-F73 HydrophobicContact CD1-CD2 3.64Å; L34-F73 HydrophobicContact CD1-CE2 4.47Å; L34-F73 HydrophobicContact CD1-CG 3.81Å; L34-F73 HydrophobicContact CD2-CD2 3.73Å; L34-F73 HydrophobicContact CD2-CE2 3.75Å; L34-F73 HydrophobicContact CG-CD2 4.25Å; L34-P82 HydrophobicContact CD1-CB 4.2Å; L34-P82 HydrophobicContact CG-CB 4.29Å; L34-H83 PolarHBondContact N-O 3.42Å; L34-V84 HydrophobicContact CB-CG2 4.32Å; L34-V84 HydrophobicContact CD1-CG2 4.2Å; L34-V84 CarbonylContact O-C 3.57Å; L34-V84 WeakPolarHBondContact O-CA 3.29Å; L34-W85 PolarHBondContact O-N 3.34Å; L34-R156 HydrophobicContact CD2-CB 3.9Å; L34-R156 HydrophobicContact CD2-CG 4.23Å; L34-I158 HydrophobicContact CB-CD1 4.13Å; L34-F314 HydrophobicContact CD1-CE1 4.28Å; L34-F314 HydrophobicContact CD1-CZ 4.06Å; L34-F314 HydrophobicContact CD2-CE1 4.42Å
35V98.9Very high97.7Very high0 Ų020.3 Ų20.30%011%0.112CC..EExtended strand (participates in β ladder)trans-109.4121.3179.4-176.10000108.5F37 W85 I87 L128 L132 I155 R156 L157 I158V35-F37 HydrophobicContact CG1-CE2 4.07Å; V35-F37 HydrophobicContact CG1-CZ 4.23Å; V35-W85 CarbonylContact C-O 3.59Å; V35-W85 WeakPolarHBondContact CA-O 3.43Å; V35-W85 HydrophobicContact CG2-CB 4.29Å; V35-I87 HydrophobicContact CG1-CD1 3.47Å; V35-I87 VanDerWaalsContact CG1-CD1 3.47Å; V35-I87 HydrophobicContact CG1-CG1 4.16Å; V35-L128 HydrophobicContact CG1-CD1 4.28Å; V35-L132 HydrophobicContact CG2-CD1 4.2Å; V35-L132 HydrophobicContact CG2-CD2 4.21Å; V35-I155 HydrophobicContact CG2-CG2 3.86Å; V35-R156 PolarHBondContact N-O 3.37Å; V35-L157 HydrophobicContact CB-CD2 3.68Å; V35-L157 HydrophobicContact CG1-CD2 4.2Å; V35-L157 HydrophobicContact CG2-CD2 4.1Å; V35-L157 CarbonylContact O-C 3.56Å; V35-L157 WeakPolarHBondContact O-CA 3.31Å; V35-I158 PolarHBondContact O-N 3.44Å
36Y98.9Very high97.6Very high0 Ų025.8 Ų25.80%013%0.133CC..EExtended strand (participates in β ladder)trans-117.4134.9-171.2178.7-93.9000112.2Q42 L62 T65 L69 W85 I86 I87 I158 F160 L309Y36-Q42 PolarHBondContact OH-NE2 2.92Å; Y36-Q42 PolarHBondContact OH-OE1 3.13Å; Y36-L62 HydrophobicContact CE1-CD2 4.39Å; Y36-T65 HydrophobicContact CD1-CG2 4.29Å; Y36-T65 HydrophobicContact CE1-CG2 3.7Å; Y36-T65 HydrophobicContact CE2-CG2 3.96Å; Y36-L69 HydrophobicContact CD2-CD1 3.58Å; Y36-L69 HydrophobicContact CE2-CD1 4.3Å; Y36-L69 HydrophobicContact CG-CD1 3.76Å; Y36-W85 PolarHBondContact N-O 2.94Å; Y36-I86 HydrophobicContact CD1-CD1 3.76Å; Y36-I86 HydrophobicContact CD1-CG2 3.9Å; Y36-I86 HydrophobicContact CG-CD1 3.91Å; Y36-I87 PolarHBondContact O-N 2.63Å; Y36-I158 CarbonylContact C-O 3.49Å; Y36-I158 VanDerWaalsContact CA-O 3.3Å; Y36-I158 WeakPolarHBondContact CA-O 3.49Å; Y36-I158 HydrophobicContact CD2-CB 3.94Å; Y36-I158 HydrophobicContact CD2-CG2 3.66Å; Y36-I158 HydrophobicContact CE2-CG2 4.1Å; Y36-F160 HydrophobicContact CE2-CB 3.83Å; Y36-F160 WeakPolarHBondContact OH-CB 3.37Å; Y36-L309 HydrophobicContact CE2-CD2 4.19Å
37F98.9Very high97.7Very high0 Ų027.7 Ų27.70%014%0.143CC..EExtended strand (participates in β ladder)trans-115.4115.4170.4-58.3-85.8000108.7V35 I87 Y100 F103 L128 I158 F160 V166 L167V35-F37 HydrophobicContact CG1-CE2 4.07Å; V35-F37 HydrophobicContact CG1-CZ 4.23Å; F37-I87 HydrophobicContact CD1-CB 3.92Å; F37-I87 HydrophobicContact CD1-CG2 4.15Å; F37-I87 HydrophobicContact CE1-CB 3.68Å; F37-I87 HydrophobicContact CE1-CD1 3.56Å; F37-I87 HydrophobicContact CE1-CG1 4.19Å; F37-I87 HydrophobicContact CE1-CG2 3.78Å; F37-I87 HydrophobicContact CE2-CD1 4.48Å; F37-I87 HydrophobicContact CZ-CB 4.46Å; F37-I87 HydrophobicContact CZ-CD1 3.54Å; F37-Y100 HydrophobicContact CB-CE1 4.19Å; F37-Y100 HydrophobicContact CD1-CD1 4.04Å; F37-Y100 AromaticContact CD1-CE1 3.71Å; F37-Y100 HydrophobicContact CD1-CE1 3.71Å; F37-Y100 HydrophobicContact CG-CE1 4.45Å; F37-F103 HydrophobicContact CE1-CD1 4.48Å; F37-F103 HydrophobicContact CE1-CD2 4.47Å; F37-F103 AromaticContact CE1-CE1 3.85Å; F37-F103 HydrophobicContact CE1-CE1 3.85Å; F37-F103 AromaticContact CE1-CE2 3.86Å; F37-F103 HydrophobicContact CE1-CE2 3.86Å; F37-F103 AromaticContact CE1-CZ 3.51Å; F37-F103 HydrophobicContact CE1-CZ 3.51Å; F37-F103 AromaticContact CZ-CE1 3.93Å; F37-F103 HydrophobicContact CZ-CE1 3.93Å; F37-F103 AromaticContact CZ-CZ 3.99Å; F37-F103 HydrophobicContact CZ-CZ 3.99Å; F37-L128 HydrophobicContact CZ-CD1 4.17Å; F37-I158 PolarHBondContact N-O 2.95Å; F37-F160 PolarHBondContact O-N 2.88Å; F37-V166 HydrophobicContact CD1-CB 4.22Å; F37-V166 HydrophobicContact CD1-CG1 4Å; F37-V166 HydrophobicContact CD1-CG2 4.1Å; F37-V166 HydrophobicContact CD2-CB 4.38Å; F37-V166 HydrophobicContact CD2-CG1 4.19Å; F37-V166 HydrophobicContact CE1-CB 4.45Å; F37-V166 HydrophobicContact CE1-CG1 3.73Å; F37-V166 HydrophobicContact CE2-CG1 3.93Å; F37-V166 HydrophobicContact CG-CB 4.17Å; F37-V166 HydrophobicContact CG-CG1 4.21Å; F37-V166 HydrophobicContact CG-CG2 4.36Å; F37-V166 HydrophobicContact CZ-CG1 3.68Å; F37-L167 HydrophobicContact CD2-CD1 3.69Å; F37-L167 HydrophobicContact CE2-CD1 4.2Å
38G98.7Very high97.8Very high0 Ų023.5 Ų23.50%013%0.125CC..  trans-75.6171.4-17900000115.1Y100 F160 G163G38-Y100 WeakPolarHBondContact CA-OH 3.47Å; G38-Y100 PolarHBondContact N-OH 3.43Å; G38-Y100 WeakPolarHBondContact O-CE2 3.12Å; G38-Y100 PolarHBondContact O-OH 3.33Å; G38-F160 CarbonylContact C-O 3.56Å; G38-G163 VanDerWaalsContact O-CA 3.3Å; G38-G163 WeakPolarHBondContact O-CA 3.32Å; G38-G163 PolarHBondContact O-N 2.86Å; G38-G163 VanDerWaalsContact O-N 3.08Å
39G98Very high98Very high0 Ų023 Ų230%012%0.124CC..  trans-89.9-176.4178.400000114.2Q42 F160G39-Q42 PolarHBondContact O-N 3.2Å; G39-F160 WeakPolarHBondContact CA-O 3.07Å; G39-F160 PolarHBondContact N-O 2.84Å
40D97.7Very high98Very high41 Ų4127.2 Ų27.222%0.21914%0.137CC..THydrogen-bonded Turntrans-52.2151.1159.6-67.6-20000109.4Q42 S96 I97 A98 K162D40-Q42 PolarHBondContact O-N 2.9Å; D40-S96 CarbonylContact C-O 3.53Å; D40-S96 VanDerWaalsContact CA-O 3.31Å; D40-S96 WeakPolarHBondContact CA-O 3.44Å; D40-S96 WeakPolarHBondContact CB-O 3.47Å; D40-I97 WeakPolarHBondContact OD1-CA 3.31Å; D40-A98 PolarHBondContact OD1-N 3.23Å; D40-K162 WeakPolarHBondContact OD1-CD 3.27Å
41V97.6Very high97.8Very high7 Ų729.1 Ų29.14%0.04215%0.147CC..THydrogen-bonded Turntrans69.6-30.1-177.5-179.70000114.9D43 M48 F53 N54 Y57 S96 F306V41-D43 PolarHBondContact O-N 2.73Å; V41-M48 HydrophobicContact CG1-CE 3.79Å; V41-M48 WeakPolarHBondContact O-CE 3.23Å; V41-M48 WeakPolarHBondContact O-CG 3.45Å; V41-F53 HydrophobicContact CG2-CD1 4.27Å; V41-F53 HydrophobicContact CG2-CE1 3.63Å; V41-N54 HydrophobicContact CG1-CB 3.97Å; V41-Y57 HydrophobicContact CG1-CD2 4.02Å; V41-Y57 HydrophobicContact CG1-CG 4.4Å; V41-S96 PolarHBondContact N-O 3.18Å; V41-F306 HydrophobicContact CB-CZ 4.13Å; V41-F306 HydrophobicContact CG1-CZ 4.38Å
42Q97.9Very high97.6Very high1 Ų133 Ų331%0.00517%0.166CC..  trans-73.295.8-177.4-65.2-165-56.700113.1Y36 G39 D40 W60 L62 T65 W92 F160 F306Y36-Q42 PolarHBondContact OH-NE2 2.92Å; Y36-Q42 PolarHBondContact OH-OE1 3.13Å; G39-Q42 PolarHBondContact O-N 3.2Å; D40-Q42 PolarHBondContact O-N 2.9Å; Q42-W60 WeakPolarHBondContact CG-O 3.47Å; Q42-W60 PolarHBondContact NE2-O 3.33Å; Q42-L62 HydrophobicContact CB-CD2 3.9Å; Q42-L62 WeakPolarHBondContact O-CD2 3.23Å; Q42-L62 WeakPolarHBondContact O-CG 3.37Å; Q42-T65 PolarHBondContact NE2-OG1 3.29Å; Q42-W92 WeakPolarHBondContact O-CH2 3.38Å; Q42-F160 HydrophobicContact CG-CE1 4.47Å; Q42-F160 VanDerWaalsContact OE1-CD1 3.22Å; Q42-F306 HydrophobicContact CG-CE1 3.69Å
43D98.4Very high97.4Very high5 Ų537.7 Ų37.73%0.02719%0.186CC..  trans-127-169.5176.9-155.8-20.3000110.5V41 N47 M48 N61 L62 R88 W92V41-D43 PolarHBondContact O-N 2.73Å; D43-N47 HydrophobicContact CB-CB 4Å; D43-N47 VanDerWaalsContact CG-ND2 3.26Å; D43-N47 PolarHBondContact OD1-ND2 3.41Å; D43-N47 VanDerWaalsContact OD1-ND2 3.16Å; D43-N47 WeakPolarHBondContact OD2-CB 3.37Å; D43-N47 PolarHBondContact OD2-ND2 3.13Å; D43-M48 HydrophobicContact CB-CG 4.01Å; D43-N61 WeakPolarHBondContact O-CA 3.35Å; D43-N61 WeakPolarHBondContact O-CB 3.4Å; D43-L62 PolarHBondContact O-N 3.45Å; D43-R88 IonicContact OD1-CZ 3.54Å; D43-R88 IonicContact OD1-NE 3.85Å; D43-R88 PolarHBondContact OD1-NE 3.36Å; D43-R88 IonicContact OD1-NH2 3.72Å; D43-R88 PolarHBondContact OD1-NH2 3.07Å; D43-R88 IonicContact OD2-CZ 3.5Å; D43-R88 IonicContact OD2-NE 2.74Å; D43-R88 IonicContact OD2-NH2 3.71Å; D43-R88 PolarHBondContact OD2-NH2 3.26Å; D43-W92 HydrophobicContact CB-CH2 3.97Å; D43-W92 HydrophobicContact CB-CZ2 4.04Å
44Y98.4Very high97.3Very high1 Ų137.7 Ų37.70%0.00419%0.186CC..  trans-57.1146.5163.8-66.8-66.2000111E7 K9 D20 I22 Y46 N47 M48E7-Y44 HydrophobicContact CG-CE1 4.03Å; E7-Y44 VanDerWaalsContact OE2-CE1 3.29Å; E7-Y44 WeakPolarHBondContact OE2-CE1 3.28Å; K9-Y44 PolarHBondContact NZ-OH 3Å; D20-Y44 HydrophobicContact CB-CE2 4.47Å; D20-Y44 VanDerWaalsContact CB-OH 3.25Å; D20-Y44 WeakPolarHBondContact CB-OH 3.35Å; I22-Y44 HydrophobicContact CD1-CD1 4.12Å; I22-Y44 HydrophobicContact CD1-CE1 3.5Å; I22-Y44 HydrophobicContact CG1-CE1 3.8Å; Y44-Y46 HydrophobicContact CD1-CE1 4.09Å; Y44-Y46 AromaticContact CD2-CE1 3.81Å; Y44-Y46 HydrophobicContact CD2-CE1 3.81Å; Y44-Y46 AromaticContact CD2-CZ 3.7Å; Y44-Y46 VanDerWaalsContact CD2-OH 3.26Å; Y44-Y46 WeakPolarHBondContact CD2-OH 3.35Å; Y44-Y46 HydrophobicContact CG-CD1 4.23Å; Y44-Y46 AromaticContact CG-CE1 3.46Å; Y44-Y46 HydrophobicContact CG-CE1 3.46Å; Y44-Y46 VanDerWaalsContact CG-CE1 3.46Å; Y44-Y46 AromaticContact CG-CZ 3.85Å; Y44-Y46 PolarHBondContact O-N 3.45Å; Y44-N47 PolarHBondContact O-N 2.92Å; Y44-M48 WeakPolarHBondContact O-CG 3.39Å; Y44-M48 PolarHBondContact O-N 2.89Å
45E97.9Very high97.2Very high85 Ų8540.9 Ų40.940%0.39720%0.203SC..Hα-helixtrans-53.7-40.9179.9-170.4162.8141.400112.1N47 M48 S49 I58 N61 K64E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 2.92Å; E45-M48 PolarHBondContact O-N 2.93Å; E45-S49 WeakPolarHBondContact O-CB 3.2Å; E45-S49 PolarHBondContact O-N 2.92Å; E45-S49 PolarHBondContact O-OG 3.44Å; E45-I58 HydrophobicContact CG-CD1 3.64Å; E45-I58 HydrophobicContact CG-CG1 3.69Å; E45-N61 PolarHBondContact OE2-ND2 3.03Å; E45-K64 IonicContact OE2-NZ 3.61Å; E45-K64 PolarHBondContact OE2-NZ 3.41Å
46Y97Very high97.1Very high115 Ų11546 Ų4645%0.45123%0.227SC..Hα-helixtrans-68.8-25.6179.169.4-98.5000114Y44 S49 Q50Y44-Y46 HydrophobicContact CD1-CE1 4.09Å; Y44-Y46 AromaticContact CD2-CE1 3.81Å; Y44-Y46 HydrophobicContact CD2-CE1 3.81Å; Y44-Y46 AromaticContact CD2-CZ 3.7Å; Y44-Y46 VanDerWaalsContact CD2-OH 3.26Å; Y44-Y46 WeakPolarHBondContact CD2-OH 3.35Å; Y44-Y46 HydrophobicContact CG-CD1 4.23Å; Y44-Y46 AromaticContact CG-CE1 3.46Å; Y44-Y46 HydrophobicContact CG-CE1 3.46Å; Y44-Y46 VanDerWaalsContact CG-CE1 3.46Å; Y44-Y46 AromaticContact CG-CZ 3.85Å; Y44-Y46 PolarHBondContact O-N 3.45Å; Y46-S49 PolarHBondContact O-OG 3.01Å; Y46-S49 VanDerWaalsContact O-OG 3.08Å; Y46-Q50 VanDerWaalsContact O-CG 3.32Å; Y46-Q50 WeakPolarHBondContact O-CG 3.32Å; Y46-Q50 PolarHBondContact O-NE2 2.93Å
47N97.6Very high97Very high43 Ų4347 Ų4723%0.2323%0.231CC..Hα-helixtrans-80.7-41.3174.5-76-21.8000110.6D43 Y44 E45 S49 Q50 R88D43-N47 HydrophobicContact CB-CB 4Å; D43-N47 VanDerWaalsContact CG-ND2 3.26Å; D43-N47 PolarHBondContact OD1-ND2 3.41Å; D43-N47 VanDerWaalsContact OD1-ND2 3.16Å; D43-N47 WeakPolarHBondContact OD2-CB 3.37Å; D43-N47 PolarHBondContact OD2-ND2 3.13Å; Y44-N47 PolarHBondContact O-N 2.92Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 2.92Å; N47-S49 VanDerWaalsContact C-N 3.28Å; N47-S49 PolarHBondContact O-N 3.24Å; N47-Q50 WeakPolarHBondContact O-CB 3.19Å; N47-Q50 WeakPolarHBondContact O-CG 3.45Å; N47-Q50 PolarHBondContact O-N 3.41Å; N47-R88 PolarHBondContact ND2-NH2 2.91Å
48M98Very high96.9Very high0 Ų048.7 Ų48.70%024%0.24CC..Hα-helixtrans-65.7-31.9179.2-64.8-179.973.400112.3V41 D43 Y44 E45 Q50 N54 N55 Y57 I58 N61V41-M48 HydrophobicContact CG1-CE 3.79Å; V41-M48 WeakPolarHBondContact O-CE 3.23Å; V41-M48 WeakPolarHBondContact O-CG 3.45Å; D43-M48 HydrophobicContact CB-CG 4.01Å; Y44-M48 WeakPolarHBondContact O-CG 3.39Å; Y44-M48 PolarHBondContact O-N 2.89Å; E45-M48 PolarHBondContact O-N 2.93Å; M48-Q50 PolarHBondContact O-N 3.18Å; M48-N54 HydrophobicContact CB-CB 4.22Å; M48-N54 CarbonylContact O-C 3.58Å; M48-N54 WeakPolarHBondContact O-CB 3.33Å; M48-N55 WeakPolarHBondContact O-CA 3.38Å; M48-N55 PolarHBondContact O-N 2.99Å; M48-N55 VanDerWaalsContact O-N 3.12Å; M48-Y57 VanDerWaalsContact CE-O 3.27Å; M48-Y57 WeakPolarHBondContact CE-O 3.45Å; M48-I58 HydrophobicContact CB-CG1 4.32Å; M48-N61 VanDerWaalsContact SD-CA 3.51Å; M48-N61 HydrophobicContact SD-CB 3.44Å; M48-N61 WeakPolarHBondContact SD-CB 3.39Å
49S97Very high96.9Very high54 Ų5454 Ų5438%0.37826%0.263SS..THydrogen-bonded Turntrans-71.6-12.2178.6660000114.3E45 Y46 N47 N51E45-S49 WeakPolarHBondContact O-CB 3.2Å; E45-S49 PolarHBondContact O-N 2.92Å; E45-S49 PolarHBondContact O-OG 3.44Å; Y46-S49 PolarHBondContact O-OG 3.01Å; Y46-S49 VanDerWaalsContact O-OG 3.08Å; N47-S49 VanDerWaalsContact C-N 3.28Å; N47-S49 PolarHBondContact O-N 3.24Å; S49-N51 VanDerWaalsContact C-N 3.29Å; S49-N51 PolarHBondContact O-N 3.31Å
50Q95.6Very high96.9Very high145 Ų14554.4 Ų54.468%0.67826%0.264SS*.THydrogen-bonded Turntrans-73.4-17.2-176.4-59-55.8-48.600113.9Y46 N47 M48Y46-Q50 VanDerWaalsContact O-CG 3.32Å; Y46-Q50 WeakPolarHBondContact O-CG 3.32Å; Y46-Q50 PolarHBondContact O-NE2 2.93Å; N47-Q50 WeakPolarHBondContact O-CB 3.19Å; N47-Q50 WeakPolarHBondContact O-CG 3.45Å; N47-Q50 PolarHBondContact O-N 3.41Å; M48-Q50 PolarHBondContact O-N 3.18Å
51N93Very high96.9Very high45 Ų4552.4 Ų52.424%0.24125%0.254CS..SBendtrans-141.9149.8176.87378.5000112.3S49 F53 N54 N55S49-N51 VanDerWaalsContact C-N 3.29Å; S49-N51 PolarHBondContact O-N 3.31Å; N51-F53 VanDerWaalsContact C-N 3.31Å; N51-F53 PolarHBondContact O-N 2.74Å; N51-F53 PolarHBondContact OD1-N 3.46Å; N51-N54 VanDerWaalsContact ND2-CG 3.32Å; N51-N54 PolarHBondContact ND2-ND2 3.36Å; N51-N54 PolarHBondContact O-N 3.27Å; N51-N54 WeakPolarHBondContact OD1-CB 3.33Å; N51-N54 PolarHBondContact OD1-N 2.85Å; N51-N55 WeakPolarHBondContact O-CB 3.37Å; N51-N55 PolarHBondContact O-N 3.44Å
52N94.1Very high97Very high146 Ų14652.2 Ų52.278%0.78125%0.252SS*.Hα-helixtrans-61.3-37.8-173.4-68.7-20000113N55 Q56N52-N55 PolarHBondContact O-N 2.89Å; N52-Q56 PolarHBondContact O-N 3.48Å
53F94.4Very high97Very high103 Ų10353.5 Ų53.545%0.45226%0.258SS..Hα-helixtrans-67.7-43.3-177.6177.6-99.5000112V41 N51 Q56 Y57 L302V41-F53 HydrophobicContact CG2-CD1 4.27Å; V41-F53 HydrophobicContact CG2-CE1 3.63Å; N51-F53 VanDerWaalsContact C-N 3.31Å; N51-F53 PolarHBondContact O-N 2.74Å; N51-F53 PolarHBondContact OD1-N 3.46Å; F53-Q56 VanDerWaalsContact O-CG 3.24Å; F53-Q56 WeakPolarHBondContact O-CG 3.47Å; F53-Q56 PolarHBondContact O-NE2 3.06Å; F53-Y57 HydrophobicContact CE2-CE2 4.16Å; F53-Y57 HydrophobicContact CZ-CE2 4.11Å; F53-Y57 WeakPolarHBondContact O-CD2 3.45Å; F53-L302 HydrophobicContact CE2-CD2 4.39Å; F53-L302 HydrophobicContact CZ-CD2 3.82Å
54N96Very high97Very high1 Ų157 Ų571%0.00527%0.274CS..Hα-helixtrans-73.6-36.7176.5-67.1-0.7000111.3V41 M48 N51 Q56 Y57 I58 N95 S96V41-N54 HydrophobicContact CG1-CB 3.97Å; M48-N54 HydrophobicContact CB-CB 4.22Å; M48-N54 CarbonylContact O-C 3.58Å; M48-N54 WeakPolarHBondContact O-CB 3.33Å; N51-N54 VanDerWaalsContact ND2-CG 3.32Å; N51-N54 PolarHBondContact ND2-ND2 3.36Å; N51-N54 PolarHBondContact O-N 3.27Å; N51-N54 WeakPolarHBondContact OD1-CB 3.33Å; N51-N54 PolarHBondContact OD1-N 2.85Å; N54-Q56 VanDerWaalsContact C-N 3.26Å; N54-Q56 PolarHBondContact O-N 2.81Å; N54-Y57 CarbonylContact O-C 3.57Å; N54-Y57 WeakPolarHBondContact O-CA 3.4Å; N54-Y57 PolarHBondContact O-N 2.94Å; N54-I58 PolarHBondContact O-N 3.09Å; N54-N95 PolarHBondContact ND2-O 3.21Å; N54-S96 VanDerWaalsContact CG-OG 3.29Å; N54-S96 PolarHBondContact ND2-OG 2.74Å; N54-S96 VanDerWaalsContact ND2-OG 3.09Å; N54-S96 PolarHBondContact OD1-OG 3.49Å
55N96.7Very high97Very high67 Ų6757 Ų5736%0.35827%0.274SS..Hα-helixtrans-62.4-30.4-176.3-170.640.7000113M48 N51 N52 Y57 I58M48-N55 WeakPolarHBondContact O-CA 3.38Å; M48-N55 PolarHBondContact O-N 2.99Å; M48-N55 VanDerWaalsContact O-N 3.12Å; N51-N55 WeakPolarHBondContact O-CB 3.37Å; N51-N55 PolarHBondContact O-N 3.44Å; N52-N55 PolarHBondContact O-N 2.89Å; N55-Y57 PolarHBondContact O-N 3.49Å; N55-I58 VanDerWaalsContact O-CB 3.23Å; N55-I58 WeakPolarHBondContact O-CB 3.49Å; N55-I58 WeakPolarHBondContact O-CG2 3.43Å; N55-I58 PolarHBondContact O-N 3.06Å; N55-I58 VanDerWaalsContact O-N 3.14Å; N55-I58 VanDerWaalsContact OD1-CD1 3.25Å; N55-I58 WeakPolarHBondContact OD1-CD1 3.43Å
56Q96.6Very high97.1Very high108 Ų10853 Ų5351%0.50526%0.255SS..THydrogen-bonded Turntrans-63.1-24.1174.682.2-162.7-40.900112.7N52 F53 N54N52-Q56 PolarHBondContact O-N 3.48Å; F53-Q56 VanDerWaalsContact O-CG 3.24Å; F53-Q56 WeakPolarHBondContact O-CG 3.47Å; F53-Q56 PolarHBondContact O-NE2 3.06Å; N54-Q56 VanDerWaalsContact C-N 3.26Å; N54-Q56 PolarHBondContact O-N 2.81Å
57Y97.3Very high97.1Very high19 Ų1952 Ų528%0.07525%0.254CS..THydrogen-bonded Turntrans-10312.1178.7-58.1-62.4000113V41 M48 F53 N54 N55 K59 W60 L302 D303 F306V41-Y57 HydrophobicContact CG1-CD2 4.02Å; V41-Y57 HydrophobicContact CG1-CG 4.4Å; M48-Y57 VanDerWaalsContact CE-O 3.27Å; M48-Y57 WeakPolarHBondContact CE-O 3.45Å; F53-Y57 HydrophobicContact CE2-CE2 4.16Å; F53-Y57 HydrophobicContact CZ-CE2 4.11Å; F53-Y57 WeakPolarHBondContact O-CD2 3.45Å; N54-Y57 CarbonylContact O-C 3.57Å; N54-Y57 WeakPolarHBondContact O-CA 3.4Å; N54-Y57 PolarHBondContact O-N 2.94Å; N55-Y57 PolarHBondContact O-N 3.49Å; Y57-K59 PolarHBondContact O-N 2.87Å; Y57-W60 WeakPolarHBondContact O-CA 3.33Å; Y57-W60 WeakPolarHBondContact O-CB 3.37Å; Y57-W60 PolarHBondContact O-N 2.93Å; Y57-L302 HydrophobicContact CD2-CD2 4.34Å; Y57-L302 HydrophobicContact CE1-CD2 4.33Å; Y57-L302 HydrophobicContact CE1-CG 4.12Å; Y57-L302 HydrophobicContact CE2-CD2 3.41Å; Y57-L302 VanDerWaalsContact CE2-CD2 3.41Å; Y57-L302 HydrophobicContact CE2-CG 4.09Å; Y57-L302 VanDerWaalsContact CZ-CD2 3.45Å; Y57-L302 WeakPolarHBondContact OH-CD2 3.27Å; Y57-D303 WeakPolarHBondContact CE1-OD1 3.42Å; Y57-F306 AromaticContact CD1-CD2 3.56Å; Y57-F306 HydrophobicContact CD1-CD2 3.56Å; Y57-F306 AromaticContact CD1-CE2 3.61Å; Y57-F306 HydrophobicContact CD1-CE2 3.61Å; Y57-F306 AromaticContact CD2-CE2 4Å; Y57-F306 HydrophobicContact CD2-CE2 4Å; Y57-F306 AromaticContact CE1-CD2 3.97Å; Y57-F306 HydrophobicContact CE1-CD2 3.97Å; Y57-F306 HydrophobicContact CE1-CE2 4.08Å; Y57-F306 HydrophobicContact CE2-CE2 4.38Å; Y57-F306 HydrophobicContact CG-CD2 4.02Å; Y57-F306 AromaticContact CG-CE2 3.6Å; Y57-F306 HydrophobicContact CG-CE2 3.6Å; Y57-F306 HydrophobicContact CG-CZ 4.31Å
58I97.9Very high97.2Very high37 Ų3751.3 Ų51.319%0.1925%0.251CS..G310 helixtrans-58.4-20.5-174.8-161.2161.8000114.4E45 M48 N54 N55 W60 N61E45-I58 HydrophobicContact CG-CD1 3.64Å; E45-I58 HydrophobicContact CG-CG1 3.69Å; M48-I58 HydrophobicContact CB-CG1 4.32Å; N54-I58 PolarHBondContact O-N 3.09Å; N55-I58 VanDerWaalsContact O-CB 3.23Å; N55-I58 WeakPolarHBondContact O-CB 3.49Å; N55-I58 WeakPolarHBondContact O-CG2 3.43Å; N55-I58 PolarHBondContact O-N 3.06Å; N55-I58 VanDerWaalsContact O-N 3.14Å; N55-I58 VanDerWaalsContact OD1-CD1 3.25Å; N55-I58 WeakPolarHBondContact OD1-CD1 3.43Å; I58-W60 PolarHBondContact O-N 3.42Å; I58-N61 WeakPolarHBondContact O-CB 3.39Å; I58-N61 PolarHBondContact O-N 2.79Å; I58-N61 PolarHBondContact O-ND2 3.3Å
59K97.8Very high97.2Very high110 Ų11051.4 Ų51.448%0.47825%0.251SS..G310 helixtrans-66.9-19.3172.268.4174.3-179.4166.40113.3Y57 K64 E307Y57-K59 PolarHBondContact O-N 2.87Å; K59-K64 VanDerWaalsContact O-CB 3.28Å; K59-K64 WeakPolarHBondContact O-CB 3.45Å; K59-K64 VanDerWaalsContact O-CD 3.25Å; K59-K64 WeakPolarHBondContact O-CD 3.41Å; K59-E307 IonicContact NZ-OE2 2.78Å
60W98.2Very high97.2Very high9 Ų950 Ų503%0.03424%0.238CC..G310 helixtrans-101.419.4178.9-51.9119000113.2Q42 Y57 I58 T65 F306 E307 L309 N310Q42-W60 WeakPolarHBondContact CG-O 3.47Å; Q42-W60 PolarHBondContact NE2-O 3.33Å; Y57-W60 WeakPolarHBondContact O-CA 3.33Å; Y57-W60 WeakPolarHBondContact O-CB 3.37Å; Y57-W60 PolarHBondContact O-N 2.93Å; I58-W60 PolarHBondContact O-N 3.42Å; W60-T65 PolarHBondContact O-OG1 3.23Å; W60-F306 HydrophobicContact CB-CD1 3.74Å; W60-F306 HydrophobicContact CB-CE1 4.14Å; W60-F306 HydrophobicContact CB-CG 4.34Å; W60-F306 VanDerWaalsContact CD1-CB 3.46Å; W60-F306 AromaticContact CD1-CD1 3.78Å; W60-F306 AromaticContact CD1-CD2 3.98Å; W60-F306 AromaticContact CD1-CG 3.48Å; W60-F306 VanDerWaalsContact CD1-CG 3.48Å; W60-F306 HydrophobicContact CD2-CB 3.82Å; W60-F306 HydrophobicContact CD2-CD1 4.41Å; W60-F306 HydrophobicContact CD2-CG 4.39Å; W60-F306 VanDerWaalsContact CE2-CB 3.45Å; W60-F306 HydrophobicContact CG-CB 3.81Å; W60-F306 AromaticContact CG-CD1 3.73Å; W60-F306 HydrophobicContact CG-CD1 3.73Å; W60-F306 AromaticContact CG-CG 3.86Å; W60-F306 HydrophobicContact CG-CG 3.86Å; W60-F306 HydrophobicContact CZ2-CB 4Å; W60-F306 AromaticContact NE1-CG 3.76Å; W60-E307 VanDerWaalsContact CZ2-OE2 3.27Å; W60-E307 WeakPolarHBondContact CZ2-OE2 3.41Å; W60-L309 HydrophobicContact CE3-CB 4.38Å; W60-L309 HydrophobicContact CE3-CD1 4.06Å; W60-L309 HydrophobicContact CZ3-CB 4.04Å; W60-N310 VanDerWaalsContact CH2-ND2 3.28Å; W60-N310 WeakPolarHBondContact CH2-ND2 3.07Å
61N98.6Very high97.3Very high0 Ų046.4 Ų46.40%023%0.226CC..SBendtrans-57.9161.3173.77458.6000111.7D43 E45 M48 I58 E63 K64 T65D43-N61 WeakPolarHBondContact O-CA 3.35Å; D43-N61 WeakPolarHBondContact O-CB 3.4Å; E45-N61 PolarHBondContact OE2-ND2 3.03Å; M48-N61 VanDerWaalsContact SD-CA 3.51Å; M48-N61 HydrophobicContact SD-CB 3.44Å; M48-N61 WeakPolarHBondContact SD-CB 3.39Å; I58-N61 WeakPolarHBondContact O-CB 3.39Å; I58-N61 PolarHBondContact O-N 2.79Å; I58-N61 PolarHBondContact O-ND2 3.3Å; N61-E63 PolarHBondContact O-N 3.34Å; N61-E63 WeakPolarHBondContact OD1-CB 3.47Å; N61-E63 PolarHBondContact OD1-N 2.8Å; N61-E63 VanDerWaalsContact OD1-N 3.08Å; N61-K64 WeakPolarHBondContact ND2-CD 3.33Å; N61-K64 PolarHBondContact O-N 3.25Å; N61-K64 PolarHBondContact OD1-N 3.44Å; N61-T65 WeakPolarHBondContact O-CB 3.44Å; N61-T65 PolarHBondContact O-N 2.8Å; N61-T65 PolarHBondContact O-OG1 3.13Å
62L98.8Very high97.5Very high2 Ų247.1 Ų47.11%0.0123%0.225CC..Hα-helixtrans-59.4-35.2-172.7-65.4174.5000112.8I22 Y36 Q42 D43 T65 A66 I86 R88I22-L62 HydrophobicContact CD1-CB 3.55Å; I22-L62 HydrophobicContact CD1-CD1 4.28Å; Y36-L62 HydrophobicContact CE1-CD2 4.39Å; Q42-L62 HydrophobicContact CB-CD2 3.9Å; Q42-L62 WeakPolarHBondContact O-CD2 3.23Å; Q42-L62 WeakPolarHBondContact O-CG 3.37Å; D43-L62 PolarHBondContact O-N 3.45Å; L62-T65 PolarHBondContact O-N 3.06Å; L62-A66 PolarHBondContact O-N 3.4Å; L62-I86 HydrophobicContact CB-CG2 3.93Å; L62-I86 HydrophobicContact CD1-CG2 4.31Å; L62-I86 HydrophobicContact CD2-CG2 3.69Å; L62-I86 HydrophobicContact CG-CG2 4.18Å; L62-R88 HydrophobicContact CD1-CB 4.01Å; L62-R88 HydrophobicContact CD1-CG 3.83Å
63E98.5Very high97.7Very high28 Ų2840.2 Ų40.213%0.13119%0.188CC..Hα-helixtrans-71.7-44.8179.6-55.1-165.3139.800112.7K5 I22 N61 T65 A66 Q67K5-E63 HydrophobicContact CD-CG 4.46Å; K5-E63 WeakPolarHBondContact CE-OE1 3.42Å; K5-E63 IonicContact NZ-OE1 3.7Å; K5-E63 PolarHBondContact NZ-OE1 2.88Å; K5-E63 IonicContact NZ-OE2 3.89Å; K5-E63 PolarHBondContact NZ-OE2 3.47Å; I22-E63 HydrophobicContact CD1-CG 4.16Å; N61-E63 PolarHBondContact O-N 3.34Å; N61-E63 WeakPolarHBondContact OD1-CB 3.47Å; N61-E63 PolarHBondContact OD1-N 2.8Å; N61-E63 VanDerWaalsContact OD1-N 3.08Å; E63-T65 PolarHBondContact O-N 3.42Å; E63-A66 WeakPolarHBondContact O-CB 3.43Å; E63-A66 PolarHBondContact O-N 3.45Å; E63-Q67 WeakPolarHBondContact O-CG 3.33Å; E63-Q67 PolarHBondContact O-N 3.39Å
64K98.4Very high97.8Very high80 Ų8036.8 Ų36.835%0.34818%0.175SC..Hα-helixtrans-64.3-33.8175.4-73.6-179.8-175.7159.20111E45 K59 N61 Q67 N68E45-K64 IonicContact OE2-NZ 3.61Å; E45-K64 PolarHBondContact OE2-NZ 3.41Å; K59-K64 VanDerWaalsContact O-CB 3.28Å; K59-K64 WeakPolarHBondContact O-CB 3.45Å; K59-K64 VanDerWaalsContact O-CD 3.25Å; K59-K64 WeakPolarHBondContact O-CD 3.41Å; N61-K64 WeakPolarHBondContact ND2-CD 3.33Å; N61-K64 PolarHBondContact O-N 3.25Å; N61-K64 PolarHBondContact OD1-N 3.44Å; K64-Q67 PolarHBondContact O-N 3.18Å; K64-N68 WeakPolarHBondContact O-CB 3.45Å; K64-N68 PolarHBondContact O-N 3.46Å
65T98.7Very high97.7Very high1 Ų141.9 Ų41.91%0.00620%0.202CC..Hα-helixtrans-64.3-44.3173.1-55.50000111.1Y36 Q42 W60 N61 L62 E63 Q67 N68 L69 L309Y36-T65 HydrophobicContact CD1-CG2 4.29Å; Y36-T65 HydrophobicContact CE1-CG2 3.7Å; Y36-T65 HydrophobicContact CE2-CG2 3.96Å; Q42-T65 PolarHBondContact NE2-OG1 3.29Å; W60-T65 PolarHBondContact O-OG1 3.23Å; N61-T65 WeakPolarHBondContact O-CB 3.44Å; N61-T65 PolarHBondContact O-N 2.8Å; N61-T65 PolarHBondContact O-OG1 3.13Å; L62-T65 PolarHBondContact O-N 3.06Å; E63-T65 PolarHBondContact O-N 3.42Å; T65-Q67 VanDerWaalsContact C-N 3.32Å; T65-Q67 PolarHBondContact O-N 3.07Å; T65-N68 WeakPolarHBondContact O-CB 3.48Å; T65-N68 PolarHBondContact O-N 2.88Å; T65-L69 HydrophobicContact CG2-CD1 4.27Å; T65-L69 HydrophobicContact CG2-CG 4.43Å; T65-L69 VanDerWaalsContact O-CG 3.31Å; T65-L69 WeakPolarHBondContact O-CG 3.31Å; T65-L69 PolarHBondContact O-N 3.06Å; T65-L309 HydrophobicContact CG2-CD1 4.37Å
66A98.7Very high97.7Very high1 Ų142.2 Ų42.21%0.00820%0.202CC..Hα-helixtrans-57.2-45.5174.700000112.2L24 L62 E63 N68 L69 Y70 V84 I86L24-A66 HydrophobicContact CB-CB 4.1Å; L24-A66 VanDerWaalsContact CD2-C 3.47Å; L24-A66 HydrophobicContact CD2-CB 4.02Å; L24-A66 WeakPolarHBondContact CD2-O 3.41Å; L62-A66 PolarHBondContact O-N 3.4Å; E63-A66 WeakPolarHBondContact O-CB 3.43Å; E63-A66 PolarHBondContact O-N 3.45Å; A66-N68 VanDerWaalsContact C-N 3.35Å; A66-N68 PolarHBondContact O-N 2.94Å; A66-L69 PolarHBondContact O-N 2.85Å; A66-Y70 WeakPolarHBondContact O-CB 3.21Å; A66-Y70 PolarHBondContact O-N 3.38Å; A66-V84 HydrophobicContact CB-CG1 4.15Å; A66-I86 HydrophobicContact CB-CD1 3.77Å; A66-I86 HydrophobicContact CB-CG1 3.66Å
67Q98.1Very high97.7Very high92 Ų9240 Ų4043%0.4319%0.191SC..Hα-helixtrans-61.9-43.6177.1-68.3174.15.600111.7L24 E63 K64 T65 Y70 V71L24-Q67 HydrophobicContact CD2-CB 4.3Å; L24-Q67 HydrophobicContact CD2-CG 3.89Å; E63-Q67 WeakPolarHBondContact O-CG 3.33Å; E63-Q67 PolarHBondContact O-N 3.39Å; K64-Q67 PolarHBondContact O-N 3.18Å; T65-Q67 VanDerWaalsContact C-N 3.32Å; T65-Q67 PolarHBondContact O-N 3.07Å; Q67-Y70 PolarHBondContact O-N 3.38Å; Q67-V71 WeakPolarHBondContact O-CB 3.2Å; Q67-V71 WeakPolarHBondContact O-CG2 3.43Å; Q67-V71 PolarHBondContact O-N 2.94Å
68N98.2Very high97.6Very high30 Ų3049.4 Ų49.416%0.1623%0.226CC..Hα-helixtrans-60.5-49.3177.4-168.217.6000111.2K64 T65 A66 Y70 V71 R72 L309 N310K64-N68 WeakPolarHBondContact O-CB 3.45Å; K64-N68 PolarHBondContact O-N 3.46Å; T65-N68 WeakPolarHBondContact O-CB 3.48Å; T65-N68 PolarHBondContact O-N 2.88Å; A66-N68 VanDerWaalsContact C-N 3.35Å; A66-N68 PolarHBondContact O-N 2.94Å; N68-Y70 VanDerWaalsContact C-N 3.34Å; N68-Y70 PolarHBondContact O-N 3.42Å; N68-V71 PolarHBondContact O-N 2.85Å; N68-R72 WeakPolarHBondContact O-CB 3.34Å; N68-R72 VanDerWaalsContact O-CG 3.27Å; N68-R72 WeakPolarHBondContact O-CG 3.3Å; N68-R72 PolarHBondContact O-N 2.84Å; N68-L309 PolarHBondContact ND2-O 3.11Å; N68-L309 VanDerWaalsContact ND2-O 3.08Å; N68-N310 PolarHBondContact ND2-OD1 3.13Å
69L98.6Very high97.4Very high1 Ų155.5 Ų55.51%0.00526%0.259CS..Hα-helixtrans-58.2-45.7177.6-65.2172.5000111.6Y36 T65 A66 R72 F73 V84 I86 I158 I312 F314Y36-L69 HydrophobicContact CD2-CD1 3.58Å; Y36-L69 HydrophobicContact CE2-CD1 4.3Å; Y36-L69 HydrophobicContact CG-CD1 3.76Å; T65-L69 HydrophobicContact CG2-CD1 4.27Å; T65-L69 HydrophobicContact CG2-CG 4.43Å; T65-L69 VanDerWaalsContact O-CG 3.31Å; T65-L69 WeakPolarHBondContact O-CG 3.31Å; T65-L69 PolarHBondContact O-N 3.06Å; A66-L69 PolarHBondContact O-N 2.85Å; L69-R72 PolarHBondContact O-N 2.93Å; L69-F73 VanDerWaalsContact O-CB 3.27Å; L69-F73 WeakPolarHBondContact O-CB 3.36Å; L69-F73 PolarHBondContact O-N 2.59Å; L69-V84 HydrophobicContact CB-CG1 4.41Å; L69-V84 HydrophobicContact CD1-CG1 4.23Å; L69-I86 HydrophobicContact CD1-CD1 4.2Å; L69-I158 HydrophobicContact CD1-CD1 4.35Å; L69-I158 HydrophobicContact CD2-CD1 4.15Å; L69-I312 HydrophobicContact CD2-CD1 3.6Å; L69-F314 HydrophobicContact CD2-CZ 3.93Å
70Y98.1Very high97.3Very high26 Ų2652.5 Ų52.510%0.10225%0.252CS..Hα-helixtrans-59.3-50.4177.2-176.7-79.6000111.9L3 L24 T26 A66 Q67 N68 F73 T74 P82 V84L3-Y70 HydrophobicContact CD1-CD1 4.19Å; L3-Y70 HydrophobicContact CD1-CE1 4.27Å; L3-Y70 HydrophobicContact CD2-CD1 4.13Å; L3-Y70 HydrophobicContact CD2-CD2 4.16Å; L3-Y70 HydrophobicContact CD2-CE1 3.62Å; L3-Y70 HydrophobicContact CD2-CE2 3.62Å; L3-Y70 HydrophobicContact CD2-CG 4.4Å; L24-Y70 HydrophobicContact CD2-CG 4.41Å; T26-Y70 WeakPolarHBondContact CG2-OH 3.47Å; A66-Y70 WeakPolarHBondContact O-CB 3.21Å; A66-Y70 PolarHBondContact O-N 3.38Å; Q67-Y70 PolarHBondContact O-N 3.38Å; N68-Y70 VanDerWaalsContact C-N 3.34Å; N68-Y70 PolarHBondContact O-N 3.42Å; Y70-F73 PolarHBondContact O-N 3.06Å; Y70-T74 HydrophobicContact CD1-CG2 4.15Å; Y70-T74 HydrophobicContact CE1-CG2 3.66Å; Y70-T74 HydrophobicContact CE2-CG2 4.42Å; Y70-T74 WeakPolarHBondContact O-CB 2.94Å; Y70-T74 WeakPolarHBondContact O-CG2 3.44Å; Y70-T74 PolarHBondContact O-N 2.98Å; Y70-T74 PolarHBondContact O-OG1 3.22Å; Y70-P82 HydrophobicContact CD2-CG 3.9Å; Y70-P82 HydrophobicContact CE2-CG 3.88Å; Y70-P82 WeakPolarHBondContact CE2-O 3.5Å; Y70-V84 HydrophobicContact CD2-CG2 4.32Å
71V96.8Very high97.2Very high69 Ų6952.9 Ų52.942%0.41825%0.254SS..Hα-helixtrans-63.7-45.3-178.6168.90000110.7Q67 N68 F73 T74 N75Q67-V71 WeakPolarHBondContact O-CB 3.2Å; Q67-V71 WeakPolarHBondContact O-CG2 3.43Å; Q67-V71 PolarHBondContact O-N 2.94Å; N68-V71 PolarHBondContact O-N 2.85Å; V71-F73 PolarHBondContact O-N 3.01Å; V71-T74 PolarHBondContact O-N 2.89Å; V71-T74 PolarHBondContact O-OG1 3.06Å; V71-N75 WeakPolarHBondContact CG1-ND2 3.4Å; V71-N75 VanDerWaalsContact O-CB 3.27Å; V71-N75 WeakPolarHBondContact O-CB 3.09Å; V71-N75 PolarHBondContact O-N 2.86Å; V71-N75 PolarHBondContact O-ND2 3.17Å
72R96.7Very high97.2Very high60 Ų6052.9 Ų52.923%0.22625%0.254CS..Hα-helixtrans-63.4-44179-69.7-164.369.170.32.5111.9N68 L69 N75 Q76 L309 N310 I312 F314N68-R72 WeakPolarHBondContact O-CB 3.34Å; N68-R72 VanDerWaalsContact O-CG 3.27Å; N68-R72 WeakPolarHBondContact O-CG 3.3Å; N68-R72 PolarHBondContact O-N 2.84Å; L69-R72 PolarHBondContact O-N 2.93Å; R72-N75 PolarHBondContact O-N 3.04Å; R72-Q76 PolarHBondContact O-N 3.08Å; R72-L309 WeakPolarHBondContact CD-O 3.43Å; R72-N310 PolarHBondContact NH1-O 3.13Å; R72-I312 PolarHBondContact NE-O 3.47Å; R72-I312 PolarHBondContact NH2-O 3.3Å; R72-F314 HydrophobicContact CB-CE2 4.02Å
73F97.8Very high97.2Very high1 Ų152.8 Ų52.80%0.00425%0.254CS..Hα-helixtrans-63.5-48.3179.1-166.6-82.4000111.6V32 L34 L69 Y70 V71 N75 Q76 F77 C80 P82 F314V32-F73 HydrophobicContact CB-CZ 4.4Å; V32-F73 HydrophobicContact CG1-CD1 4.38Å; V32-F73 HydrophobicContact CG1-CE1 3.54Å; V32-F73 HydrophobicContact CG1-CE2 4.41Å; V32-F73 HydrophobicContact CG1-CZ 3.56Å; V32-F73 HydrophobicContact CG2-CZ 4.25Å; L34-F73 HydrophobicContact CD1-CB 3.8Å; L34-F73 HydrophobicContact CD1-CD2 3.64Å; L34-F73 HydrophobicContact CD1-CE2 4.47Å; L34-F73 HydrophobicContact CD1-CG 3.81Å; L34-F73 HydrophobicContact CD2-CD2 3.73Å; L34-F73 HydrophobicContact CD2-CE2 3.75Å; L34-F73 HydrophobicContact CG-CD2 4.25Å; L69-F73 VanDerWaalsContact O-CB 3.27Å; L69-F73 WeakPolarHBondContact O-CB 3.36Å; L69-F73 PolarHBondContact O-N 2.59Å; Y70-F73 PolarHBondContact O-N 3.06Å; V71-F73 PolarHBondContact O-N 3.01Å; F73-N75 VanDerWaalsContact C-N 3.34Å; F73-N75 PolarHBondContact O-N 3.36Å; F73-Q76 PolarHBondContact O-N 2.91Å; F73-F77 HydrophobicContact CD1-CB 4.27Å; F73-F77 HydrophobicContact CD1-CD2 4.06Å; F73-F77 HydrophobicContact CD2-CD2 4.1Å; F73-F77 HydrophobicContact CD2-CE2 4.44Å; F73-F77 HydrophobicContact CE1-CB 3.85Å; F73-F77 AromaticContact CE1-CD2 3.67Å; F73-F77 HydrophobicContact CE1-CD2 3.67Å; F73-F77 HydrophobicContact CE1-CG 4.08Å; F73-F77 AromaticContact CE2-CD2 3.72Å; F73-F77 HydrophobicContact CE2-CD2 3.72Å; F73-F77 AromaticContact CE2-CE2 3.93Å; F73-F77 HydrophobicContact CE2-CE2 3.93Å; F73-F77 HydrophobicContact CG-CD2 4.26Å; F73-F77 HydrophobicContact CZ-CB 4.4Å; F73-F77 AromaticContact CZ-CD2 3.48Å; F73-F77 HydrophobicContact CZ-CD2 3.48Å; F73-F77 VanDerWaalsContact CZ-CD2 3.48Å; F73-F77 HydrophobicContact CZ-CE2 4.02Å; F73-F77 HydrophobicContact CZ-CG 4.14Å; F73-F77 PolarHBondContact O-N 2.84Å; F73-C80 HydrophobicContact CE1-CB 3.8Å; F73-P82 HydrophobicContact CB-CG 4.28Å; F73-P82 HydrophobicContact CD1-CB 3.71Å; F73-P82 HydrophobicContact CD1-CG 3.69Å; F73-P82 HydrophobicContact CE1-CB 4.19Å; F73-P82 HydrophobicContact CE1-CG 4.48Å; F73-P82 HydrophobicContact CG-CB 4.15Å; F73-P82 HydrophobicContact CG-CG 4.24Å; F73-F314 HydrophobicContact CB-CD2 4Å; F73-F314 HydrophobicContact CB-CE2 3.89Å; F73-F314 HydrophobicContact CB-CZ 4.5Å; F73-F314 HydrophobicContact CD2-CB 3.97Å; F73-F314 AromaticContact CD2-CD1 3.83Å; F73-F314 HydrophobicContact CD2-CD1 3.83Å; F73-F314 AromaticContact CD2-CD2 3.75Å; F73-F314 HydrophobicContact CD2-CD2 3.75Å; F73-F314 HydrophobicContact CD2-CE1 4.18Å; F73-F314 HydrophobicContact CD2-CE2 4.1Å; F73-F314 AromaticContact CD2-CG 3.6Å; F73-F314 HydrophobicContact CD2-CG 3.6Å; F73-F314 HydrophobicContact CD2-CZ 4.3Å; F73-F314 HydrophobicContact CE2-CB 4.16Å; F73-F314 HydrophobicContact CE2-CD1 4.28Å; F73-F314 HydrophobicContact CE2-CG 4.18Å; F73-F314 HydrophobicContact CG-CD2 4.33Å
74T96.4Very high97.2Very high30 Ų3051.4 Ų51.418%0.18425%0.247CC..Hα-helixtrans-69.5-29-179.5510000113.2Y70 V71 Q76 F77 R78 P82Y70-T74 HydrophobicContact CD1-CG2 4.15Å; Y70-T74 HydrophobicContact CE1-CG2 3.66Å; Y70-T74 HydrophobicContact CE2-CG2 4.42Å; Y70-T74 WeakPolarHBondContact O-CB 2.94Å; Y70-T74 WeakPolarHBondContact O-CG2 3.44Å; Y70-T74 PolarHBondContact O-N 2.98Å; Y70-T74 PolarHBondContact O-OG1 3.22Å; V71-T74 PolarHBondContact O-N 2.89Å; V71-T74 PolarHBondContact O-OG1 3.06Å; T74-Q76 VanDerWaalsContact C-N 3.3Å; T74-Q76 PolarHBondContact O-N 2.74Å; T74-F77 CarbonylContact O-C 3.42Å; T74-R78 WeakPolarHBondContact O-CA 3.38Å; T74-R78 PolarHBondContact O-N 2.86Å; T74-P82 HydrophobicContact CG2-CG 3.62Å
75N95.9Very high97.2Very high108 Ų10847.6 Ų47.658%0.57823%0.231SC*.Hα-helixtrans-64.5-36.2171.6-77.1-19.1000112.3V71 R72 F73V71-N75 WeakPolarHBondContact CG1-ND2 3.4Å; V71-N75 VanDerWaalsContact O-CB 3.27Å; V71-N75 WeakPolarHBondContact O-CB 3.09Å; V71-N75 PolarHBondContact O-N 2.86Å; V71-N75 PolarHBondContact O-ND2 3.17Å; R72-N75 PolarHBondContact O-N 3.04Å; F73-N75 VanDerWaalsContact C-N 3.34Å; F73-N75 PolarHBondContact O-N 3.36Å
76Q96.4Very high97.2Very high75 Ų7547.6 Ų47.635%0.3523%0.231SC..Hα-helixtrans-84.7-41-179.6-173.8171.3-3.900112.8R72 F73 T74 F314R72-Q76 PolarHBondContact O-N 3.08Å; F73-Q76 PolarHBondContact O-N 2.91Å; T74-Q76 VanDerWaalsContact C-N 3.3Å; T74-Q76 PolarHBondContact O-N 2.74Å; Q76-F314 PolarHBondContact NE2-O 3.46Å; Q76-F314 PolarHBondContact OE1-O 2.98Å
77F96.8Very high97.2Very high62 Ų6247.5 Ų47.527%0.27223%0.23SC..  trans-117.477.2-179.1-58.5-73.5000109.8F73 T74 D79 C80 F314F73-F77 HydrophobicContact CD1-CB 4.27Å; F73-F77 HydrophobicContact CD1-CD2 4.06Å; F73-F77 HydrophobicContact CD2-CD2 4.1Å; F73-F77 HydrophobicContact CD2-CE2 4.44Å; F73-F77 HydrophobicContact CE1-CB 3.85Å; F73-F77 AromaticContact CE1-CD2 3.67Å; F73-F77 HydrophobicContact CE1-CD2 3.67Å; F73-F77 HydrophobicContact CE1-CG 4.08Å; F73-F77 AromaticContact CE2-CD2 3.72Å; F73-F77 HydrophobicContact CE2-CD2 3.72Å; F73-F77 AromaticContact CE2-CE2 3.93Å; F73-F77 HydrophobicContact CE2-CE2 3.93Å; F73-F77 HydrophobicContact CG-CD2 4.26Å; F73-F77 HydrophobicContact CZ-CB 4.4Å; F73-F77 AromaticContact CZ-CD2 3.48Å; F73-F77 HydrophobicContact CZ-CD2 3.48Å; F73-F77 VanDerWaalsContact CZ-CD2 3.48Å; F73-F77 HydrophobicContact CZ-CE2 4.02Å; F73-F77 HydrophobicContact CZ-CG 4.14Å; F73-F77 PolarHBondContact O-N 2.84Å; T74-F77 CarbonylContact O-C 3.42Å; F77-D79 PolarHBondContact O-N 2.81Å; F77-C80 HydrophobicContact CB-CB 3.86Å; F77-C80 WeakPolarHBondContact O-CB 3.35Å; F77-C80 PolarHBondContact O-N 2.99Å; F77-F314 HydrophobicContact CD2-CB 4.41Å; F77-F314 HydrophobicContact CE2-CB 3.61Å
78R93.9Very high97.3Very high215 Ų21544.9 Ų44.981%0.81122%0.216SC*.THydrogen-bonded Turntrans-61.9-27.2-171.5-63.4-173-174-173.12.6114.5T74T74-R78 WeakPolarHBondContact O-CA 3.38Å; T74-R78 PolarHBondContact O-N 2.86Å
79D94Very high97.3Very high166 Ų16643.5 Ų43.589%0.88821%0.209SC*.THydrogen-bonded Turntrans-93.13.6-179.3-54.8-45.6000112.9F77F77-D79 PolarHBondContact O-N 2.81Å
80C95.8Very high97.3Very high47 Ų4745.4 Ų45.432%0.31822%0.223SC..  trans-99.1150.4178.1-710000112T31 F73 F77 P82T31-C80 WeakPolarHBondContact OG1-CA 3.49Å; T31-C80 WeakPolarHBondContact OG1-CB 3.31Å; F73-C80 HydrophobicContact CE1-CB 3.8Å; F77-C80 HydrophobicContact CB-CB 3.86Å; F77-C80 WeakPolarHBondContact O-CB 3.35Å; F77-C80 PolarHBondContact O-N 2.99Å; C80-P82 WeakPolarHBondContact O-CD 3.43Å
81N96.6Very high97.3Very high16 Ų1648.8 Ų48.89%0.08624%0.239CC..  trans-114.792.8171.9179.435.5000109.2T26 T28 S29 P30 T31T26-N81 VanDerWaalsContact OG1-CG 3.3Å; T26-N81 PolarHBondContact OG1-ND2 3.46Å; T26-N81 PolarHBondContact OG1-OD1 3.24Å; T28-N81 PolarHBondContact O-ND2 3.23Å; T28-N81 PolarHBondContact OG1-ND2 2.75Å; T28-N81 VanDerWaalsContact OG1-ND2 3.09Å; S29-N81 PolarHBondContact O-ND2 2.98Å; P30-N81 CarbonylContact C-O 3.54Å; P30-N81 VanDerWaalsContact CA-O 3.29Å; P30-N81 WeakPolarHBondContact CA-O 3.33Å; T31-N81 HydrophobicContact CG2-CB 4.4Å; T31-N81 PolarHBondContact N-O 3.48Å; T31-N81 PolarHBondContact OG1-N 2.8Å; T31-N81 PolarHBondContact OG1-O 2.82Å
82P98Very high97.3Very high0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans-78.8137178.632-34000111.4V32 L34 Y70 F73 T74 C80V32-P82 HydrophobicContact CG1-CB 3.82Å; V32-P82 WeakPolarHBondContact O-CA 3.45Å; L34-P82 HydrophobicContact CD1-CB 4.2Å; L34-P82 HydrophobicContact CG-CB 4.29Å; Y70-P82 HydrophobicContact CD2-CG 3.9Å; Y70-P82 HydrophobicContact CE2-CG 3.88Å; Y70-P82 WeakPolarHBondContact CE2-O 3.5Å; F73-P82 HydrophobicContact CB-CG 4.28Å; F73-P82 HydrophobicContact CD1-CB 3.71Å; F73-P82 HydrophobicContact CD1-CG 3.69Å; F73-P82 HydrophobicContact CE1-CB 4.19Å; F73-P82 HydrophobicContact CE1-CG 4.48Å; F73-P82 HydrophobicContact CG-CB 4.15Å; F73-P82 HydrophobicContact CG-CG 4.24Å; T74-P82 HydrophobicContact CG2-CG 3.62Å; C80-P82 WeakPolarHBondContact O-CD 3.43Å
83H98.4Very high97.4Very high0 Ų046 Ų460%022%0.223CC..EExtended strand (participates in β ladder)trans-100.2131.1159.9-79.3-166.8000109.1F23 T26 T28 P30 V32 N33 L34 Q147F23-H83 HydrophobicContact CE2-CB 3.85Å; F23-H83 AromaticContact CE2-CG 3.65Å; F23-H83 AromaticContact CE2-ND1 3.45Å; F23-H83 WeakPolarHBondContact CE2-ND1 3.24Å; F23-H83 HydrophobicContact CZ-CB 4.48Å; F23-H83 AromaticContact CZ-CE1 3.76Å; F23-H83 AromaticContact CZ-CG 3.86Å; F23-H83 AromaticContact CZ-ND1 3.57Å; T26-H83 PolarHBondContact N-NE2 3.45Å; T26-H83 PolarHBondContact O-NE2 3.01Å; T28-H83 PolarHBondContact O-NE2 3.02Å; P30-H83 HydrophobicContact CB-CB 3.92Å; P30-H83 HydrophobicContact CG-CB 4.4Å; V32-H83 PolarHBondContact O-N 3.19Å; N33-H83 CarbonylContact C-O 3.43Å; N33-H83 WeakPolarHBondContact CA-O 3.3Å; L34-H83 PolarHBondContact N-O 3.42Å; H83-Q147 PolarHBondContact CE1-O 3.09Å; H83-Q147 VanDerWaalsContact CE1-O 3.31Å
84V98.8Very high97.2Very high0 Ų050.7 Ų50.70%026%0.257CS..EExtended strand (participates in β ladder)trans-107.4130.8-178-1740000109.5F23 L24 L34 A66 L69 Y70 I86F23-V84 WeakPolarHBondContact CA-O 3.49Å; L24-V84 HydrophobicContact CB-CB 4.3Å; L24-V84 PolarHBondContact N-O 3.23Å; L24-V84 PolarHBondContact O-N 3.25Å; L34-V84 HydrophobicContact CB-CG2 4.32Å; L34-V84 HydrophobicContact CD1-CG2 4.2Å; L34-V84 CarbonylContact O-C 3.57Å; L34-V84 WeakPolarHBondContact O-CA 3.29Å; A66-V84 HydrophobicContact CB-CG1 4.15Å; L69-V84 HydrophobicContact CB-CG1 4.41Å; L69-V84 HydrophobicContact CD1-CG1 4.23Å; Y70-V84 HydrophobicContact CD2-CG2 4.32Å; V84-I86 HydrophobicContact CG1-CD1 3.76Å
85W98.9Very high97Very high0 Ų054.5 Ų54.50%028%0.276CS..EExtended strand (participates in β ladder)trans-123.9108.3-179.7-55.292.2000108.8L8 V21 F23 N33 L34 V35 Y36 L132 A135 V136 L139 C148 T150L8-W85 HydrophobicContact CD1-CZ3 4.15Å; V21-W85 HydrophobicContact CG1-CE3 3.88Å; F23-W85 HydrophobicContact CB-CE3 4.25Å; F23-W85 HydrophobicContact CB-CZ3 4.11Å; F23-W85 HydrophobicContact CD2-CD2 4.01Å; F23-W85 AromaticContact CD2-CE2 3.92Å; F23-W85 AromaticContact CD2-CE3 3.82Å; F23-W85 HydrophobicContact CD2-CE3 3.82Å; F23-W85 AromaticContact CD2-CH2 3.54Å; F23-W85 HydrophobicContact CD2-CH2 3.54Å; F23-W85 AromaticContact CD2-CZ2 3.71Å; F23-W85 HydrophobicContact CD2-CZ2 3.71Å; F23-W85 AromaticContact CD2-CZ3 3.59Å; F23-W85 HydrophobicContact CD2-CZ3 3.59Å; F23-W85 AromaticContact CE2-CH2 3.96Å; F23-W85 HydrophobicContact CE2-CH2 3.96Å; F23-W85 AromaticContact CE2-CZ2 3.81Å; F23-W85 HydrophobicContact CE2-CZ2 3.81Å; F23-W85 HydrophobicContact CE2-CZ3 4.45Å; F23-W85 HydrophobicContact CG-CH2 4.44Å; F23-W85 HydrophobicContact CG-CZ3 4.22Å; N33-W85 PolarHBondContact OD1-NE1 3.49Å; L34-W85 PolarHBondContact O-N 3.34Å; V35-W85 CarbonylContact C-O 3.59Å; V35-W85 WeakPolarHBondContact CA-O 3.43Å; V35-W85 HydrophobicContact CG2-CB 4.29Å; Y36-W85 PolarHBondContact N-O 2.94Å; W85-L132 HydrophobicContact CB-CD2 4.36Å; W85-L132 HydrophobicContact CG-CD2 4.3Å; W85-A135 HydrophobicContact CE3-CB 4.44Å; W85-A135 HydrophobicContact CZ3-CB 4.08Å; W85-V136 HydrophobicContact CH2-CG2 3.77Å; W85-V136 HydrophobicContact CZ2-CG2 3.94Å; W85-L139 HydrophobicContact CH2-CD2 3.71Å; W85-L139 HydrophobicContact CZ3-CD2 4.25Å; W85-C148 WeakPolarHBondContact CH2-SG 3.37Å; W85-C148 WeakPolarHBondContact CZ2-SG 3.45Å; W85-T150 HydrophobicContact CZ2-CG2 4.45Å
86I98.9Very high97Very high0 Ų050.4 Ų50.40%026%0.255CS..EExtended strand (participates in β ladder)trans-92.7116.7173.6-46.9-57.2000108.4V21 I22 Y36 L62 A66 L69 V84V21-I86 CarbonylContact C-O 3.58Å; V21-I86 VanDerWaalsContact CA-O 3.3Å; V21-I86 WeakPolarHBondContact CA-O 3.35Å; I22-I86 HydrophobicContact CB-CB 3.99Å; I22-I86 HydrophobicContact CB-CG1 4.22Å; I22-I86 HydrophobicContact CD1-CB 4.46Å; I22-I86 PolarHBondContact N-O 3.48Å; I22-I86 PolarHBondContact O-N 3.33Å; Y36-I86 HydrophobicContact CD1-CD1 3.76Å; Y36-I86 HydrophobicContact CD1-CG2 3.9Å; Y36-I86 HydrophobicContact CG-CD1 3.91Å; L62-I86 HydrophobicContact CB-CG2 3.93Å; L62-I86 HydrophobicContact CD1-CG2 4.31Å; L62-I86 HydrophobicContact CD2-CG2 3.69Å; L62-I86 HydrophobicContact CG-CG2 4.18Å; A66-I86 HydrophobicContact CB-CD1 3.77Å; A66-I86 HydrophobicContact CB-CG1 3.66Å; L69-I86 HydrophobicContact CD1-CD1 4.2Å; V84-I86 HydrophobicContact CG1-CD1 3.76Å
87I98.9Very high97.1Very high0 Ų049.2 Ų49.20%025%0.251CS..EExtended strand (participates in β ladder)trans-93.3109.6174.1-62.5169.2000107.6N19 V35 Y36 F37 F103 L128 L131N19-I87 HydrophobicContact CB-CG2 4.22Å; V35-I87 HydrophobicContact CG1-CD1 3.47Å; V35-I87 VanDerWaalsContact CG1-CD1 3.47Å; V35-I87 HydrophobicContact CG1-CG1 4.16Å; Y36-I87 PolarHBondContact O-N 2.63Å; F37-I87 HydrophobicContact CD1-CB 3.92Å; F37-I87 HydrophobicContact CD1-CG2 4.15Å; F37-I87 HydrophobicContact CE1-CB 3.68Å; F37-I87 HydrophobicContact CE1-CD1 3.56Å; F37-I87 HydrophobicContact CE1-CG1 4.19Å; F37-I87 HydrophobicContact CE1-CG2 3.78Å; F37-I87 HydrophobicContact CE2-CD1 4.48Å; F37-I87 HydrophobicContact CZ-CB 4.46Å; F37-I87 HydrophobicContact CZ-CD1 3.54Å; I87-F103 HydrophobicContact CD1-CZ 4.25Å; I87-F103 HydrophobicContact CG2-CE2 3.93Å; I87-F103 HydrophobicContact CG2-CZ 4.01Å; I87-L128 HydrophobicContact CD1-CD1 3.62Å; I87-L131 HydrophobicContact CD1-CD2 3.98Å; I87-L131 HydrophobicContact CG1-CD2 4.08Å; I87-L131 HydrophobicContact CG2-CD2 3.8Å
88R98.8Very high97.1Very high36 Ų3646.2 Ų46.214%0.13624%0.238CC..  trans-72.5139.6177.3-176.6180176.6-92.4-8.4109.8N19 D20 D43 N47 L62 S90 W92N19-R88 PolarHBondContact ND2-O 3.31Å; D20-R88 HydrophobicContact CB-CB 4.2Å; D20-R88 WeakPolarHBondContact O-CB 3.33Å; D20-R88 PolarHBondContact O-N 3.17Å; D20-R88 IonicContact OD2-NH1 2.67Å; D43-R88 IonicContact OD1-CZ 3.54Å; D43-R88 IonicContact OD1-NE 3.85Å; D43-R88 PolarHBondContact OD1-NE 3.36Å; D43-R88 IonicContact OD1-NH2 3.72Å; D43-R88 PolarHBondContact OD1-NH2 3.07Å; D43-R88 IonicContact OD2-CZ 3.5Å; D43-R88 IonicContact OD2-NE 2.74Å; D43-R88 IonicContact OD2-NH2 3.71Å; D43-R88 PolarHBondContact OD2-NH2 3.26Å; N47-R88 PolarHBondContact ND2-NH2 2.91Å; L62-R88 HydrophobicContact CD1-CB 4.01Å; L62-R88 HydrophobicContact CD1-CG 3.83Å; R88-S90 PolarHBondContact O-N 3.35Å; R88-W92 VanDerWaalsContact NH2-NE1 3.14Å
89A98.8Very high97.4Very high1 Ų136.1 Ų36.11%0.00820%0.2CC..  trans-56.4131.6169.100000110.5H91 W92 A98 Y100A89-H91 VanDerWaalsContact C-N 3.33Å; A89-W92 HydrophobicContact CB-CZ2 4.11Å; A89-W92 PolarHBondContact O-NE1 3.42Å; A89-A98 HydrophobicContact CB-CB 3.79Å; A89-Y100 HydrophobicContact CB-CD1 4.13Å; A89-Y100 HydrophobicContact CB-CD2 4.47Å; A89-Y100 HydrophobicContact CB-CE1 3.85Å; A89-Y100 HydrophobicContact CB-CE2 4.23Å; A89-Y100 HydrophobicContact CB-CG 4.42Å
90S98.3Very high97.6Very high42 Ų4228.3 Ų28.329%0.29416%0.158SC..SBendtrans-78.4-20.3-17753.40000112.8H18 R88 V101 N102H18-S90 WeakPolarHBondContact O-CB 3.29Å; R88-S90 PolarHBondContact O-N 3.35Å; S90-V101 WeakPolarHBondContact OG-CG2 3.31Å; S90-N102 WeakPolarHBondContact CB-ND2 3.4Å; S90-N102 PolarHBondContact OG-ND2 3.44Å; S90-N102 VanDerWaalsContact OG-ND2 3.15Å
91H98.3Very high97.7Very high96 Ų9628.7 Ų28.744%0.44416%0.159SC..EExtended strand (participates in β ladder)trans-127.5146177.6-173.274.9000111.6A89 C99 V101A89-H91 VanDerWaalsContact C-N 3.33Å; H91-C99 HydrophobicContact CB-CB 3.96Å; H91-C99 PolarHBondContact N-O 3.05Å; H91-C99 PolarHBondContact O-N 3.27Å; H91-V101 HydrophobicContact CB-CG1 4.15Å; H91-V101 HydrophobicContact CB-CG2 3.98Å
92W97.7Very high97.8Very high33 Ų3328.6 Ų28.613%0.12516%0.158CC..EExtended strand (participates in β ladder)trans-137.7128-176.7-70.481.2000110.8Q42 D43 R88 A89 I97 A98Q42-W92 WeakPolarHBondContact O-CH2 3.38Å; D43-W92 HydrophobicContact CB-CH2 3.97Å; D43-W92 HydrophobicContact CB-CZ2 4.04Å; R88-W92 VanDerWaalsContact NH2-NE1 3.14Å; A89-W92 HydrophobicContact CB-CZ2 4.11Å; A89-W92 PolarHBondContact O-NE1 3.42Å; W92-I97 CarbonylContact C-O 3.47Å; W92-I97 VanDerWaalsContact CA-O 3.29Å; W92-I97 WeakPolarHBondContact CA-O 3.3Å; W92-A98 HydrophobicContact CE3-CB 4.35Å; W92-A98 HydrophobicContact CH2-CB 3.83Å; W92-A98 HydrophobicContact CZ2-CB 4.24Å; W92-A98 HydrophobicContact CZ3-CB 3.89Å
93I97.1Very high97.8Very high37 Ų3728.7 Ų28.719%0.1916%0.159CC..EExtended strand (participates in β ladder)trans-96.8129.6172.6-56.1161.9000108.5N95 S96 I97 E108 G110I93-N95 PolarHBondContact O-N 2.96Å; I93-S96 PolarHBondContact O-N 2.83Å; I93-S96 VanDerWaalsContact O-N 3.08Å; I93-I97 HydrophobicContact CB-CB 4.06Å; I93-I97 HydrophobicContact CB-CD1 4.41Å; I93-I97 HydrophobicContact CG2-CD1 4.41Å; I93-I97 PolarHBondContact N-O 2.73Å; I93-I97 PolarHBondContact O-N 2.77Å; I93-E108 VanDerWaalsContact CD1-O 3.27Å; I93-E108 WeakPolarHBondContact CD1-O 3.42Å; I93-G110 VanDerWaalsContact CD1-CA 3.42Å; I93-G110 VanDerWaalsContact CD1-N 3.26Å
94S93.8Very high97.7Very high101 Ų10128.9 Ų28.971%0.70616%0.16SC*.THydrogen-bonded Turntrans5227.9-178.7-56.50000114.1S96S94-S96 PolarHBondContact O-N 2.93Å; S94-S96 VanDerWaalsContact O-N 3.12Å
95N94Very high97.6Very high110 Ų11030.9 Ų30.959%0.58817%0.173SC*.THydrogen-bonded Turntrans58.316.4-176.3-54-42.4000115.3N54 I93N54-N95 PolarHBondContact ND2-O 3.21Å; I93-N95 PolarHBondContact O-N 2.96Å
96S95.4Very high97.5Very high21 Ų2132.4 Ų32.415%0.14718%0.179CC..THydrogen-bonded Turntrans-135.6-26-177.1-62.40000113.5D40 V41 N54 I93 S94D40-S96 CarbonylContact C-O 3.53Å; D40-S96 VanDerWaalsContact CA-O 3.31Å; D40-S96 WeakPolarHBondContact CA-O 3.44Å; D40-S96 WeakPolarHBondContact CB-O 3.47Å; V41-S96 PolarHBondContact N-O 3.18Å; N54-S96 VanDerWaalsContact CG-OG 3.29Å; N54-S96 PolarHBondContact ND2-OG 2.74Å; N54-S96 VanDerWaalsContact ND2-OG 3.09Å; N54-S96 PolarHBondContact OD1-OG 3.49Å; I93-S96 PolarHBondContact O-N 2.83Å; I93-S96 VanDerWaalsContact O-N 3.08Å; S94-S96 PolarHBondContact O-N 2.93Å; S94-S96 VanDerWaalsContact O-N 3.12Å
97I97.3Very high97.4Very high50 Ų5034 Ų3426%0.25619%0.193SC..EExtended strand (participates in β ladder)trans-98.7116.5-178.2-58170000108.9D40 W92 I93D40-I97 WeakPolarHBondContact OD1-CA 3.31Å; W92-I97 CarbonylContact C-O 3.47Å; W92-I97 VanDerWaalsContact CA-O 3.29Å; W92-I97 WeakPolarHBondContact CA-O 3.3Å; I93-I97 HydrophobicContact CB-CB 4.06Å; I93-I97 HydrophobicContact CB-CD1 4.41Å; I93-I97 HydrophobicContact CG2-CD1 4.41Å; I93-I97 PolarHBondContact N-O 2.73Å; I93-I97 PolarHBondContact O-N 2.77Å
98A98.3Very high97.2Very high0 Ų043.3 Ų43.30%024%0.236CC..EExtended strand (participates in β ladder)trans-78.3133.2-177.900000110.7D40 A89 W92 Y100 K162D40-A98 PolarHBondContact OD1-N 3.23Å; A89-A98 HydrophobicContact CB-CB 3.79Å; W92-A98 HydrophobicContact CE3-CB 4.35Å; W92-A98 HydrophobicContact CH2-CB 3.83Å; W92-A98 HydrophobicContact CZ2-CB 4.24Å; W92-A98 HydrophobicContact CZ3-CB 3.89Å; A98-Y100 HydrophobicContact CB-CE2 4.29Å; A98-K162 HydrophobicContact CB-CG 4.15Å; A98-K162 VanDerWaalsContact O-CD 3.25Å; A98-K162 WeakPolarHBondContact O-CD 3.38Å; A98-K162 WeakPolarHBondContact O-CG 3.41Å
99C98.7Very high97.1Very high2 Ų245.1 Ų45.11%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-128114.3177.3-63.50000110.4H91 V101 F106H91-C99 HydrophobicContact CB-CB 3.96Å; H91-C99 PolarHBondContact N-O 3.05Å; H91-C99 PolarHBondContact O-N 3.27Å; C99-V101 HydrophobicContact CB-CG1 3.94Å; C99-V101 PolarHBondContact O-N 2.86Å; C99-V101 VanDerWaalsContact O-N 3.11Å; C99-F106 HydrophobicContact CB-CD1 4.19Å; C99-F106 HydrophobicContact CB-CE1 4.43Å; C99-F106 HydrophobicContact CB-CG 4.32Å
100Y98.5Very high97Very high3 Ų345 Ų451%0.01225%0.254CS..  trans-88.151.3-179.7-67.2-83.3000111.6F37 G38 A89 A98 N102 F103 M104 F106 K162 V166F37-Y100 HydrophobicContact CB-CE1 4.19Å; F37-Y100 HydrophobicContact CD1-CD1 4.04Å; F37-Y100 AromaticContact CD1-CE1 3.71Å; F37-Y100 HydrophobicContact CD1-CE1 3.71Å; F37-Y100 HydrophobicContact CG-CE1 4.45Å; G38-Y100 WeakPolarHBondContact CA-OH 3.47Å; G38-Y100 PolarHBondContact N-OH 3.43Å; G38-Y100 WeakPolarHBondContact O-CE2 3.12Å; G38-Y100 PolarHBondContact O-OH 3.33Å; A89-Y100 HydrophobicContact CB-CD1 4.13Å; A89-Y100 HydrophobicContact CB-CD2 4.47Å; A89-Y100 HydrophobicContact CB-CE1 3.85Å; A89-Y100 HydrophobicContact CB-CE2 4.23Å; A89-Y100 HydrophobicContact CB-CG 4.42Å; A98-Y100 HydrophobicContact CB-CE2 4.29Å; Y100-N102 PolarHBondContact O-N 2.86Å; Y100-F103 HydrophobicContact CD1-CD2 4.3Å; Y100-F103 PolarHBondContact O-N 2.86Å; Y100-M104 PolarHBondContact O-N 3.11Å; Y100-F106 VanDerWaalsContact C-CE2 3.43Å; Y100-F106 VanDerWaalsContact N-CE2 3.3Å; Y100-F106 VanDerWaalsContact N-CZ 3.3Å; Y100-K162 HydrophobicContact CE2-CG 4.48Å; Y100-V166 VanDerWaalsContact CB-CG2 3.48Å; Y100-V166 HydrophobicContact CD1-CG2 3.81Å; Y100-V166 HydrophobicContact CD2-CG2 3.74Å; Y100-V166 HydrophobicContact CE1-CG2 4.49Å; Y100-V166 HydrophobicContact CE2-CG2 4.43Å; Y100-V166 HydrophobicContact CG-CG2 3.38Å
101V97.9Very high96.9Very high54 Ų5444.5 Ų44.533%0.32725%0.249SC..THydrogen-bonded Turntrans-60-15.4-172-610000114.6S90 H91 C99 M104 F106S90-V101 WeakPolarHBondContact OG-CG2 3.31Å; H91-V101 HydrophobicContact CB-CG1 4.15Å; H91-V101 HydrophobicContact CB-CG2 3.98Å; C99-V101 HydrophobicContact CB-CG1 3.94Å; C99-V101 PolarHBondContact O-N 2.86Å; C99-V101 VanDerWaalsContact O-N 3.11Å; V101-M104 WeakPolarHBondContact CA-O 3.3Å; V101-F106 HydrophobicContact CG1-CB 4.31Å; V101-F106 HydrophobicContact CG1-CD2 4.04Å; V101-F106 HydrophobicContact CG1-CG 4.39Å
102N98.5Very high96.9Very high15 Ų1540.2 Ų40.28%0.0823%0.229CC..THydrogen-bonded Turntrans-83-22.2176.3-62.7-14.9000113.2K17 H18 N19 S90 Y100 H127K17-N102 HydrophobicContact CB-CB 4.26Å; K17-N102 HydrophobicContact CD-CB 3.97Å; H18-N102 PolarHBondContact O-ND2 2.88Å; N19-N102 PolarHBondContact OD1-ND2 3.33Å; S90-N102 WeakPolarHBondContact CB-ND2 3.4Å; S90-N102 PolarHBondContact OG-ND2 3.44Å; S90-N102 VanDerWaalsContact OG-ND2 3.15Å; Y100-N102 PolarHBondContact O-N 2.86Å; N102-H127 WeakPolarHBondContact CB-NE2 3.21Å
103F98.4Very high96.8Very high1 Ų142.4 Ų42.40%0.00424%0.243CC..THydrogen-bonded Turntrans-97-35.2-179.2-68.8-92.4000112.3F37 I87 Y100 H127 L128 L131 V166F37-F103 HydrophobicContact CE1-CD1 4.48Å; F37-F103 HydrophobicContact CE1-CD2 4.47Å; F37-F103 AromaticContact CE1-CE1 3.85Å; F37-F103 HydrophobicContact CE1-CE1 3.85Å; F37-F103 AromaticContact CE1-CE2 3.86Å; F37-F103 HydrophobicContact CE1-CE2 3.86Å; F37-F103 AromaticContact CE1-CZ 3.51Å; F37-F103 HydrophobicContact CE1-CZ 3.51Å; F37-F103 AromaticContact CZ-CE1 3.93Å; F37-F103 HydrophobicContact CZ-CE1 3.93Å; F37-F103 AromaticContact CZ-CZ 3.99Å; F37-F103 HydrophobicContact CZ-CZ 3.99Å; I87-F103 HydrophobicContact CD1-CZ 4.25Å; I87-F103 HydrophobicContact CG2-CE2 3.93Å; I87-F103 HydrophobicContact CG2-CZ 4.01Å; Y100-F103 HydrophobicContact CD1-CD2 4.3Å; Y100-F103 PolarHBondContact O-N 2.86Å; F103-H127 AromaticContact CD2-CD2 3.83Å; F103-H127 AromaticContact CE1-CD2 3.72Å; F103-H127 AromaticContact CE2-CD2 3.44Å; F103-H127 VanDerWaalsContact CE2-CD2 3.44Å; F103-H127 WeakPolarHBondContact CE2-CD2 3.36Å; F103-H127 AromaticContact CE2-NE2 3.75Å; F103-H127 AromaticContact CZ-CD2 3.38Å; F103-H127 WeakPolarHBondContact CZ-CD2 3.04Å; F103-H127 AromaticContact CZ-NE2 3.93Å; F103-L128 HydrophobicContact CE1-CB 4.03Å; F103-L128 HydrophobicContact CE1-CD1 4.29Å; F103-L131 HydrophobicContact CZ-CD2 4.22Å; F103-V166 HydrophobicContact CB-CG1 4.04Å; F103-V166 HydrophobicContact CB-CG2 4.29Å; F103-V166 HydrophobicContact CD1-CG1 3.62Å; F103-V166 HydrophobicContact CD2-CG1 4.48Å; F103-V166 HydrophobicContact CE1-CG1 4.19Å; F103-V166 HydrophobicContact CG-CG1 3.79Å; F103-V166 HydrophobicContact CG-CG2 4.38Å
104M96.7Very high96.6Very high4 Ų442 Ų422%0.0224%0.24CC..SBendtrans-156.9161-17869.5179.4-57.100110.6Y100 V101 F106 P112 F114 C165 E169Y100-M104 PolarHBondContact O-N 3.11Å; V101-M104 WeakPolarHBondContact CA-O 3.3Å; M104-F106 HydrophobicContact CG-CD2 4.19Å; M104-F106 HydrophobicContact CG-CE2 3.49Å; M104-F106 VanDerWaalsContact CG-CE2 3.49Å; M104-F106 HydrophobicContact CG-CZ 4.17Å; M104-F106 VanDerWaalsContact O-CD2 3.28Å; M104-F106 WeakPolarHBondContact O-CD2 3.45Å; M104-F106 HydrophobicContact SD-CE2 4.29Å; M104-F106 HydrophobicContact SD-CZ 4.41Å; M104-P112 HydrophobicContact CE-CB 3.67Å; M104-P112 HydrophobicContact SD-CB 3.9Å; M104-F114 HydrophobicContact CE-CD1 3.53Å; M104-F114 HydrophobicContact CE-CD2 4.39Å; M104-F114 HydrophobicContact CE-CE1 3.44Å; M104-F114 VanDerWaalsContact CE-CE1 3.44Å; M104-F114 HydrophobicContact CE-CE2 4.36Å; M104-F114 HydrophobicContact CE-CG 4.05Å; M104-F114 HydrophobicContact CE-CZ 3.92Å; M104-F114 HydrophobicContact SD-CE1 4.15Å; M104-F114 HydrophobicContact SD-CZ 4.47Å; M104-C165 HydrophobicContact SD-CB 3.69Å; M104-C165 VanDerWaalsContact SD-SG 3.64Å; M104-E169 HydrophobicContact CB-CB 4.3Å; M104-E169 HydrophobicContact CB-CG 3.88Å; M104-E169 HydrophobicContact SD-CB 4.28Å
105P96.8Very high96.3Very high43 Ų4341.7 Ų41.728%0.27923%0.227SC..  trans-72.2149177.225.7-30.6000113L113 N116P105-L113 HydrophobicContact CB-CB 4.29Å; P105-L113 HydrophobicContact CB-CD1 4.43Å; P105-L113 HydrophobicContact CG-CB 4.09Å; P105-L113 PolarHBondContact O-N 3.19Å; P105-N116 HydrophobicContact CG-CB 3.85Å
106F96.8Very high95.8Very high31 Ų3137.6 Ų37.614%0.13621%0.205CC..BIsolated β-bridgetrans-130.5144.9175.5-75.2-107.7000109.7C99 Y100 V101 M104 G110 V111 P112C99-F106 HydrophobicContact CB-CD1 4.19Å; C99-F106 HydrophobicContact CB-CE1 4.43Å; C99-F106 HydrophobicContact CB-CG 4.32Å; Y100-F106 VanDerWaalsContact C-CE2 3.43Å; Y100-F106 VanDerWaalsContact N-CE2 3.3Å; Y100-F106 VanDerWaalsContact N-CZ 3.3Å; V101-F106 HydrophobicContact CG1-CB 4.31Å; V101-F106 HydrophobicContact CG1-CD2 4.04Å; V101-F106 HydrophobicContact CG1-CG 4.39Å; M104-F106 HydrophobicContact CG-CD2 4.19Å; M104-F106 HydrophobicContact CG-CE2 3.49Å; M104-F106 VanDerWaalsContact CG-CE2 3.49Å; M104-F106 HydrophobicContact CG-CZ 4.17Å; M104-F106 VanDerWaalsContact O-CD2 3.28Å; M104-F106 WeakPolarHBondContact O-CD2 3.45Å; M104-F106 HydrophobicContact SD-CE2 4.29Å; M104-F106 HydrophobicContact SD-CZ 4.41Å; F106-G110 WeakPolarHBondContact CD1-O 3.3Å; F106-V111 CarbonylContact C-O 3.54Å; F106-V111 WeakPolarHBondContact CA-O 3.45Å; F106-P112 HydrophobicContact CD1-CB 4.3Å; F106-P112 HydrophobicContact CE1-CB 3.93Å; F106-P112 HydrophobicContact CZ-CB 4.13Å
107A96.7Very high95.2Very high34 Ų3442.8 Ų42.828%0.28123%0.232SC..  trans-68.5161.216400000110.7S109 G110 V111 L113A107-S109 PolarHBondContact O-N 2.6Å; A107-G110 PolarHBondContact O-N 3.24Å; A107-V111 HydrophobicContact CB-CB 4.3Å; A107-V111 PolarHBondContact N-O 3.13Å; A107-L113 HydrophobicContact CB-CD2 4.31Å
108E95.5Very high94.5Very high195 Ų19543.1 Ų43.191%0.91123%0.232SC*.THydrogen-bonded Turntrans-56.8-25.7176.3-64.5-178.1174.600113.3I93 G110I93-E108 VanDerWaalsContact CD1-O 3.27Å; I93-E108 WeakPolarHBondContact CD1-O 3.42Å; E108-G110 VanDerWaalsContact C-N 3.25Å; E108-G110 PolarHBondContact O-N 3.23Å
109S95.4Very high93.9Very high74 Ų7443.1 Ų43.152%0.51723%0.232SC..THydrogen-bonded Turntrans-80.31.1175.259.80000114.3A107A107-S109 PolarHBondContact O-N 2.6Å
110G96.5Very high93.1Very high0 Ų047.2 Ų47.20%026%0.26CS..SBendtrans80.314.3-178.700000114.3I93 F106 A107 E108 K162I93-G110 VanDerWaalsContact CD1-CA 3.42Å; I93-G110 VanDerWaalsContact CD1-N 3.26Å; F106-G110 WeakPolarHBondContact CD1-O 3.3Å; A107-G110 PolarHBondContact O-N 3.24Å; E108-G110 VanDerWaalsContact C-N 3.25Å; E108-G110 PolarHBondContact O-N 3.23Å; G110-K162 PolarHBondContact O-NZ 3.35Å
111V97.4Very high92.6Very high31 Ų3152.5 Ų52.519%0.18828%0.283CS..  trans-79.1123.5173.4176.90000109.4F106 A107 S213F106-V111 CarbonylContact C-O 3.54Å; F106-V111 WeakPolarHBondContact CA-O 3.45Å; A107-V111 HydrophobicContact CB-CB 4.3Å; A107-V111 PolarHBondContact N-O 3.13Å; V111-S213 WeakPolarHBondContact CG2-OG 3.36Å
112P97.6Very high92.4Very high5 Ų550.2 Ų50.23%0.03227%0.269CS..BIsolated β-bridgetrans-65140.5173.928-35.8000110.6M104 F106 F114 C165 H212M104-P112 HydrophobicContact CE-CB 3.67Å; M104-P112 HydrophobicContact SD-CB 3.9Å; F106-P112 HydrophobicContact CD1-CB 4.3Å; F106-P112 HydrophobicContact CE1-CB 3.93Å; F106-P112 HydrophobicContact CZ-CB 4.13Å; P112-F114 HydrophobicContact CB-CD2 4.42Å; P112-F114 HydrophobicContact CB-CE2 3.84Å; P112-F114 HydrophobicContact CB-CZ 4.11Å; P112-F114 HydrophobicContact CG-CD2 4.44Å; P112-F114 HydrophobicContact CG-CE2 3.63Å; P112-F114 HydrophobicContact CG-CZ 4.12Å; P112-C165 HydrophobicContact CB-CB 3.93Å; P112-C165 HydrophobicContact CG-CB 4.02Å; P112-H212 WeakPolarHBondContact CD-ND1 3.42Å; P112-H212 HydrophobicContact CG-CB 4.44Å
113L96.3Very high92.1Very high79 Ų7949.9 Ų49.941%0.41427%0.267SS..  trans-10899.2-177.7-59.1178.3000109.6P105 A107 N116P105-L113 HydrophobicContact CB-CB 4.29Å; P105-L113 HydrophobicContact CB-CD1 4.43Å; P105-L113 HydrophobicContact CG-CB 4.09Å; P105-L113 PolarHBondContact O-N 3.19Å; A107-L113 HydrophobicContact CB-CD2 4.31Å; L113-N116 PolarHBondContact O-ND2 2.91Å
114F92.7Very high92.1Very high28 Ų2849.9 Ų49.912%0.12327%0.267CS..  trans-86.5171.1-179.2-64.7-80.3000112.9M104 P112 N116 C165 T168 Y172 H212 H217M104-F114 HydrophobicContact CE-CD1 3.53Å; M104-F114 HydrophobicContact CE-CD2 4.39Å; M104-F114 HydrophobicContact CE-CE1 3.44Å; M104-F114 VanDerWaalsContact CE-CE1 3.44Å; M104-F114 HydrophobicContact CE-CE2 4.36Å; M104-F114 HydrophobicContact CE-CG 4.05Å; M104-F114 HydrophobicContact CE-CZ 3.92Å; M104-F114 HydrophobicContact SD-CE1 4.15Å; M104-F114 HydrophobicContact SD-CZ 4.47Å; P112-F114 HydrophobicContact CB-CD2 4.42Å; P112-F114 HydrophobicContact CB-CE2 3.84Å; P112-F114 HydrophobicContact CB-CZ 4.11Å; P112-F114 HydrophobicContact CG-CD2 4.44Å; P112-F114 HydrophobicContact CG-CE2 3.63Å; P112-F114 HydrophobicContact CG-CZ 4.12Å; F114-N116 PolarHBondContact O-N 3.44Å; F114-C165 HydrophobicContact CE1-CB 4.23Å; F114-C165 HydrophobicContact CE2-CB 4.5Å; F114-C165 HydrophobicContact CZ-CB 3.6Å; F114-T168 HydrophobicContact CD1-CG2 3.9Å; F114-T168 HydrophobicContact CE1-CG2 3.45Å; F114-T168 VanDerWaalsContact CE1-CG2 3.45Å; F114-T168 HydrophobicContact CZ-CG2 4.11Å; F114-Y172 HydrophobicContact CD1-CE2 4.42Å; F114-H212 AromaticContact CE2-NE2 3.71Å; F114-H217 HydrophobicContact CB-CB 4.28Å; F114-H217 HydrophobicContact CD1-CB 4.37Å; F114-H217 HydrophobicContact CD2-CB 3.28Å; F114-H217 AromaticContact CD2-CG 3.76Å; F114-H217 HydrophobicContact CE2-CB 3.46Å; F114-H217 VanDerWaalsContact CE2-CB 3.46Å; F114-H217 HydrophobicContact CG-CB 3.73Å; F114-H217 AromaticContact CG-CG 3.8Å; F114-H217 HydrophobicContact CZ-CB 4.11Å
115E86.4Confident92.1Very high95 Ų9549.7 Ų49.744%0.44427%0.266SS..SBendtrans53.639.6-177-51.9-162153.700112H217 S222 Y225E115-H217 IonicContact OE1-CE1 2.7Å; E115-S222 WeakPolarHBondContact OE1-CB 3.41Å; E115-S222 PolarHBondContact OE1-OG 3.1Å; E115-Y225 HydrophobicContact CG-CE2 4.18Å
116N84.3Confident92.1Very high24 Ų2448.9 Ų48.913%0.12826%0.259CS..  trans-94.9168.1-17868.872.3000111P105 L113 F114 E118 I119 E169P105-N116 HydrophobicContact CG-CB 3.85Å; L113-N116 PolarHBondContact O-ND2 2.91Å; F114-N116 PolarHBondContact O-N 3.44Å; N116-E118 PolarHBondContact O-N 3.47Å; N116-E118 VanDerWaalsContact OD1-CA 3.27Å; N116-E118 WeakPolarHBondContact OD1-CA 3.35Å; N116-E118 WeakPolarHBondContact OD1-CB 3.37Å; N116-E118 PolarHBondContact OD1-N 3.44Å; N116-I119 PolarHBondContact O-N 2.86Å; N116-I119 PolarHBondContact OD1-N 2.88Å; N116-E169 PolarHBondContact ND2-OE1 3.35Å
117D81.9Confident92.2Very high131 Ų13147.4 Ų47.470%0.70125%0.253SS*.THydrogen-bonded Turntrans-67.9-16.6-178.8-66.3-25000114.2I119 C120D117-I119 VanDerWaalsContact C-N 3.34Å; D117-C120 PolarHBondContact O-N 2.78Å
118E82.9Confident92.3Very high56 Ų5645.8 Ų45.826%0.26224%0.239SC..Hα-helixtrans-73.1-26.2-179.1-55.2-64.5122.700112.6N116 C120 K121 M122 T123N116-E118 PolarHBondContact O-N 3.47Å; N116-E118 VanDerWaalsContact OD1-CA 3.27Å; N116-E118 WeakPolarHBondContact OD1-CA 3.35Å; N116-E118 WeakPolarHBondContact OD1-CB 3.37Å; N116-E118 PolarHBondContact OD1-N 3.44Å; E118-C120 VanDerWaalsContact C-N 3.26Å; E118-C120 PolarHBondContact O-N 2.83Å; E118-K121 CarbonylContact O-C 3.59Å; E118-K121 WeakPolarHBondContact O-CA 3.29Å; E118-K121 WeakPolarHBondContact O-CB 3.41Å; E118-K121 PolarHBondContact O-N 3.32Å; E118-K121 IonicContact OE1-NZ 2.76Å; E118-K121 PolarHBondContact OE1-NZ 2.92Å; E118-M122 PolarHBondContact O-N 2.79Å; E118-M122 VanDerWaalsContact O-N 3.07Å; E118-T123 PolarHBondContact O-N 2.79Å; E118-T123 WeakPolarHBondContact OE2-CB 3.36Å; E118-T123 PolarHBondContact OE2-OG1 2.87Å
119I85.6Confident92.4Very high0 Ų037.1 Ų37.10%020%0.201CC..Hα-helixtrans-56.9-43.9174.6-64.1172.5000110.1N116 D117 K121 M122 E169 Y172 E173 V176 Y225N116-I119 PolarHBondContact O-N 2.86Å; N116-I119 PolarHBondContact OD1-N 2.88Å; D117-I119 VanDerWaalsContact C-N 3.34Å; I119-K121 PolarHBondContact O-N 3.28Å; I119-M122 WeakPolarHBondContact O-CE 3.41Å; I119-M122 PolarHBondContact O-N 2.91Å; I119-E169 VanDerWaalsContact CG1-OE1 3.26Å; I119-E169 WeakPolarHBondContact CG1-OE1 3.44Å; I119-Y172 HydrophobicContact CD1-CD2 3.96Å; I119-E173 HydrophobicContact CG2-CG 4.2Å; I119-V176 HydrophobicContact CG2-CG2 4.1Å; I119-Y225 HydrophobicContact CD1-CE2 3.91Å; I119-Y225 HydrophobicContact CG2-CD1 4.29Å; I119-Y225 HydrophobicContact CG2-CE1 3.63Å
120C83.4Confident92.5Very high88 Ų8835.7 Ų35.760%0.59519%0.19SC*.Hα-helixtrans-69.7-21178-70.30000113.1D117 E118D117-C120 PolarHBondContact O-N 2.78Å; E118-C120 VanDerWaalsContact C-N 3.26Å; E118-C120 PolarHBondContact O-N 2.83Å
121K87.4Confident92.6Very high115 Ų11535.7 Ų35.750%0.519%0.19SC..Hα-helixtrans-90.4-4.7177.6-59.6175.2-164.1163.90112.9E118 I119 T123E118-K121 CarbonylContact O-C 3.59Å; E118-K121 WeakPolarHBondContact O-CA 3.29Å; E118-K121 WeakPolarHBondContact O-CB 3.41Å; E118-K121 PolarHBondContact O-N 3.32Å; E118-K121 IonicContact OE1-NZ 2.76Å; E118-K121 PolarHBondContact OE1-NZ 2.92Å; I119-K121 PolarHBondContact O-N 3.28Å; K121-T123 PolarHBondContact O-N 2.9Å
122M92.4Very high92.7Very high6 Ų634.3 Ų34.33%0.0318%0.182CC..THydrogen-bonded Turntrans58.130.8-175.8-50.1-59.9130.700113E118 I119 G124 L125 M126 E173 V176 L177 V191E118-M122 PolarHBondContact O-N 2.79Å; E118-M122 VanDerWaalsContact O-N 3.07Å; I119-M122 WeakPolarHBondContact O-CE 3.41Å; I119-M122 PolarHBondContact O-N 2.91Å; M122-G124 VanDerWaalsContact C-N 3.28Å; M122-G124 PolarHBondContact O-N 2.83Å; M122-L125 HydrophobicContact CB-CB 4.43Å; M122-L125 PolarHBondContact O-N 2.8Å; M122-L125 HydrophobicContact SD-CD1 4.49Å; M122-M126 HydrophobicContact CB-CG 4.34Å; M122-M126 WeakPolarHBondContact O-CB 3.27Å; M122-M126 VanDerWaalsContact O-CG 3.23Å; M122-M126 WeakPolarHBondContact O-CG 3.47Å; M122-M126 PolarHBondContact O-N 2.74Å; M122-E173 WeakPolarHBondContact CA-OE2 3.48Å; M122-E173 HydrophobicContact SD-CB 3.68Å; M122-E173 HydrophobicContact SD-CG 4.15Å; M122-V176 HydrophobicContact CE-CB 3.59Å; M122-V176 HydrophobicContact CE-CG1 3.42Å; M122-V176 VanDerWaalsContact CE-CG1 3.42Å; M122-V176 HydrophobicContact CE-CG2 4.44Å; M122-L177 HydrophobicContact CG-CD2 4.15Å; M122-L177 HydrophobicContact CG-CG 4.45Å; M122-L177 HydrophobicContact SD-CD1 4.15Å; M122-L177 HydrophobicContact SD-CD2 3.93Å; M122-L177 HydrophobicContact SD-CG 3.66Å; M122-V191 HydrophobicContact CG-CG2 4.22Å
123T93.6Very high92.7Very high7 Ų737.3 Ų37.34%0.04320%0.203CC..Hα-helixtrans-59.7-38.8-170.4-64.60000112.1Y14 E118 K121 H127 E173Y14-T123 HydrophobicContact CD1-CG2 4.47Å; E118-T123 PolarHBondContact O-N 2.79Å; E118-T123 WeakPolarHBondContact OE2-CB 3.36Å; E118-T123 PolarHBondContact OE2-OG1 2.87Å; K121-T123 PolarHBondContact O-N 2.9Å; T123-H127 WeakPolarHBondContact O-CB 3.33Å; T123-H127 PolarHBondContact O-N 3.24Å; T123-E173 PolarHBondContact N-OE1 2.99Å
124G97.3Very high92.8Very high1 Ų135.7 Ų35.71%0.0120%0.195CC..Hα-helixtrans-63.9-47.9176.800000112.7M122 H127 L128 E173M122-G124 VanDerWaalsContact C-N 3.28Å; M122-G124 PolarHBondContact O-N 2.83Å; G124-H127 PolarHBondContact O-N 2.91Å; G124-L128 WeakPolarHBondContact O-CB 3.43Å; G124-L128 PolarHBondContact O-N 2.81Å; G124-E173 WeakPolarHBondContact CA-OE1 3.47Å; G124-E173 PolarHBondContact N-OE1 3.29Å; G124-E173 PolarHBondContact N-OE2 2.6Å
125L97.6Very high93.1Very high0 Ų034.4 Ų34.40%019%0.189CC..Hα-helixtrans-68.2-39.7177.1-80.7174.3000112.6M122 H127 L128 S129 I170 E173 L174 L177 V195 L198 I202M122-L125 HydrophobicContact CB-CB 4.43Å; M122-L125 PolarHBondContact O-N 2.8Å; M122-L125 HydrophobicContact SD-CD1 4.49Å; L125-H127 VanDerWaalsContact C-N 3.34Å; L125-L128 PolarHBondContact O-N 3.11Å; L125-S129 VanDerWaalsContact O-CB 3.28Å; L125-S129 WeakPolarHBondContact O-CB 3.43Å; L125-S129 PolarHBondContact O-N 2.74Å; L125-I170 HydrophobicContact CD2-CG2 3.91Å; L125-I170 HydrophobicContact CG-CG2 4.38Å; L125-E173 WeakPolarHBondContact CB-OE2 3.43Å; L125-E173 HydrophobicContact CD1-CB 3.79Å; L125-E173 HydrophobicContact CG-CB 4.23Å; L125-E173 WeakPolarHBondContact CG-OE2 3.43Å; L125-E173 PolarHBondContact N-OE2 2.94Å; L125-L174 HydrophobicContact CD1-CD2 4.04Å; L125-L174 HydrophobicContact CD1-CG 4.31Å; L125-L177 HydrophobicContact CD1-CD1 3.52Å; L125-V195 HydrophobicContact CB-CG1 3.88Å; L125-L198 HydrophobicContact CD2-CD2 4.45Å; L125-I202 HydrophobicContact CD2-CD1 3.83Å
126M97.2Very high93.6Very high26 Ų2630.6 Ų30.613%0.12817%0.172CC..Hα-helixtrans-60.5-47.6173.5-72-176.688.800110.1Y14 M122 S129 C130 P192 V195Y14-M126 HydrophobicContact CD1-CB 3.75Å; Y14-M126 HydrophobicContact CD1-SD 4.23Å; Y14-M126 HydrophobicContact CD2-CB 4.23Å; Y14-M126 HydrophobicContact CD2-CE 3.92Å; Y14-M126 HydrophobicContact CE1-CB 4.16Å; Y14-M126 HydrophobicContact CE1-CE 3.99Å; Y14-M126 HydrophobicContact CE1-SD 3.66Å; Y14-M126 HydrophobicContact CE2-CE 3.28Å; Y14-M126 HydrophobicContact CE2-SD 4.1Å; Y14-M126 HydrophobicContact CG-CB 3.79Å; Y14-M126 VanDerWaalsContact CZ-SD 3.59Å; Y14-M126 WeakPolarHBondContact OH-CE 3.17Å; M122-M126 HydrophobicContact CB-CG 4.34Å; M122-M126 WeakPolarHBondContact O-CB 3.27Å; M122-M126 VanDerWaalsContact O-CG 3.23Å; M122-M126 WeakPolarHBondContact O-CG 3.47Å; M122-M126 PolarHBondContact O-N 2.74Å; M126-S129 PolarHBondContact O-N 3.49Å; M126-C130 PolarHBondContact O-N 2.76Å; M126-C130 PolarHBondContact O-SG 2.94Å; M126-C130 VanDerWaalsContact O-SG 3.42Å; M126-P192 HydrophobicContact CE-CG 4.04Å; M126-V195 HydrophobicContact CG-CG2 4.12Å
127H98.4Very high94.3Very high0 Ų034.7 Ų34.70%019%0.19CC..Hα-helixtrans-63.8-44.9178.3-174.368000111.7Y14 N19 N102 F103 T123 G124 L125 S129 L131Y14-H127 PolarHBondContact N-ND1 3.17Å; N19-H127 PolarHBondContact OD1-CE1 2.93Å; N19-H127 PolarHBondContact OD1-NE2 3.49Å; N102-H127 WeakPolarHBondContact CB-NE2 3.21Å; F103-H127 AromaticContact CD2-CD2 3.83Å; F103-H127 AromaticContact CE1-CD2 3.72Å; F103-H127 AromaticContact CE2-CD2 3.44Å; F103-H127 VanDerWaalsContact CE2-CD2 3.44Å; F103-H127 WeakPolarHBondContact CE2-CD2 3.36Å; F103-H127 AromaticContact CE2-NE2 3.75Å; F103-H127 AromaticContact CZ-CD2 3.38Å; F103-H127 WeakPolarHBondContact CZ-CD2 3.04Å; F103-H127 AromaticContact CZ-NE2 3.93Å; T123-H127 WeakPolarHBondContact O-CB 3.33Å; T123-H127 PolarHBondContact O-N 3.24Å; G124-H127 PolarHBondContact O-N 2.91Å; L125-H127 VanDerWaalsContact C-N 3.34Å; H127-S129 PolarHBondContact O-N 3.49Å; H127-L131 WeakPolarHBondContact O-CB 3.27Å; H127-L131 PolarHBondContact O-N 2.77Å
128L98.7Very high95Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-58.8-45.8175.9-175.358.3000112.4V35 F37 I87 F103 G124 L125 L131 L132 L157 I170 L198V35-L128 HydrophobicContact CG1-CD1 4.28Å; F37-L128 HydrophobicContact CZ-CD1 4.17Å; I87-L128 HydrophobicContact CD1-CD1 3.62Å; F103-L128 HydrophobicContact CE1-CB 4.03Å; F103-L128 HydrophobicContact CE1-CD1 4.29Å; G124-L128 WeakPolarHBondContact O-CB 3.43Å; G124-L128 PolarHBondContact O-N 2.81Å; L125-L128 PolarHBondContact O-N 3.11Å; L128-L131 PolarHBondContact O-N 2.97Å; L128-L132 HydrophobicContact CD1-CD1 3.74Å; L128-L132 HydrophobicContact CD1-CG 3.89Å; L128-L132 HydrophobicContact CG-CD1 3.94Å; L128-L132 HydrophobicContact CG-CG 4.42Å; L128-L132 WeakPolarHBondContact O-CB 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.36Å; L128-L132 PolarHBondContact O-N 3.43Å; L128-L157 HydrophobicContact CD2-CD1 4.09Å; L128-L157 HydrophobicContact CD2-CD2 4.1Å; L128-I170 HydrophobicContact CD2-CD1 3.89Å; L128-L198 HydrophobicContact CB-CD2 4.29Å; L128-L198 HydrophobicContact CD2-CD2 4.07Å; L128-L198 HydrophobicContact CG-CD2 4.01Å
129S97.8Very high95.8Very high14 Ų1428.7 Ų28.710%0.09816%0.158CC..Hα-helixtrans-61.4-53.1-179.1-175.10000111.5L125 M126 H127 L131 S133L125-S129 VanDerWaalsContact O-CB 3.28Å; L125-S129 WeakPolarHBondContact O-CB 3.43Å; L125-S129 PolarHBondContact O-N 2.74Å; M126-S129 PolarHBondContact O-N 3.49Å; H127-S129 PolarHBondContact O-N 3.49Å; S129-L131 PolarHBondContact O-N 3.39Å; S129-S133 WeakPolarHBondContact O-CB 3.4Å; S129-S133 PolarHBondContact O-N 3.28Å
130C97.9Very high96.3Very high44 Ų4432.6 Ų32.630%0.29718%0.179SC..Hα-helixtrans-61.3-45.2177.5-67.40000111.6M126 S133 N134M126-C130 PolarHBondContact O-N 2.76Å; M126-C130 PolarHBondContact O-SG 2.94Å; M126-C130 VanDerWaalsContact O-SG 3.42Å; C130-S133 PolarHBondContact O-N 2.66Å; C130-N134 WeakPolarHBondContact O-CB 3.26Å; C130-N134 VanDerWaalsContact O-CG 3.28Å; C130-N134 PolarHBondContact O-N 3.19Å; C130-N134 PolarHBondContact O-ND2 3.46Å
131L98.7Very high96.9Very high0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-63.1-46.4-176.9-176.568.1000111.7C11 N19 V21 I87 F103 H127 L128 S129 N134 A135C11-L131 HydrophobicContact CB-CD1 3.52Å; C11-L131 VanDerWaalsContact O-CD1 3.31Å; C11-L131 WeakPolarHBondContact O-CD1 3.41Å; N19-L131 HydrophobicContact CB-CD1 3.97Å; N19-L131 HydrophobicContact CB-CD2 3.86Å; V21-L131 HydrophobicContact CG2-CD1 4.11Å; V21-L131 HydrophobicContact CG2-CD2 4.22Å; V21-L131 HydrophobicContact CG2-CG 4.12Å; I87-L131 HydrophobicContact CD1-CD2 3.98Å; I87-L131 HydrophobicContact CG1-CD2 4.08Å; I87-L131 HydrophobicContact CG2-CD2 3.8Å; F103-L131 HydrophobicContact CZ-CD2 4.22Å; H127-L131 WeakPolarHBondContact O-CB 3.27Å; H127-L131 PolarHBondContact O-N 2.77Å; L128-L131 PolarHBondContact O-N 2.97Å; S129-L131 PolarHBondContact O-N 3.39Å; L131-N134 PolarHBondContact O-N 3.24Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.46Å
132L98.6Very high97.3Very high2 Ų232.1 Ų32.11%0.0118%0.18CC..Hα-helixtrans-66-42.5178.3-73.5177.4000111.8V35 W85 L128 N134 A135 V136 T150 L198V35-L132 HydrophobicContact CG2-CD1 4.2Å; V35-L132 HydrophobicContact CG2-CD2 4.21Å; W85-L132 HydrophobicContact CB-CD2 4.36Å; W85-L132 HydrophobicContact CG-CD2 4.3Å; L128-L132 HydrophobicContact CD1-CD1 3.74Å; L128-L132 HydrophobicContact CD1-CG 3.89Å; L128-L132 HydrophobicContact CG-CD1 3.94Å; L128-L132 HydrophobicContact CG-CG 4.42Å; L128-L132 WeakPolarHBondContact O-CB 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.36Å; L128-L132 PolarHBondContact O-N 3.43Å; L132-N134 PolarHBondContact O-N 3.48Å; L132-A135 PolarHBondContact O-N 2.91Å; L132-V136 VanDerWaalsContact O-CG2 3.28Å; L132-V136 WeakPolarHBondContact O-CG2 3.25Å; L132-V136 PolarHBondContact O-N 3.37Å; L132-T150 HydrophobicContact CB-CG2 4.31Å; L132-L198 HydrophobicContact CD1-CD1 4.15Å
133S97.4Very high97.5Very high68 Ų6832.8 Ų32.848%0.47618%0.183SC..Hα-helixtrans-58.2-49.3176.7-174.90000111.2S129 C130 V136 E137S129-S133 WeakPolarHBondContact O-CB 3.4Å; S129-S133 PolarHBondContact O-N 3.28Å; C130-S133 PolarHBondContact O-N 2.66Å; S133-V136 PolarHBondContact O-N 3.49Å; S133-E137 PolarHBondContact O-N 2.81Å
134N98.3Very high97.5Very high45 Ų4535.8 Ų35.824%0.24121%0.208CC..Hα-helixtrans-71.5-33-178.5-67.7-18.8000112.2V12 C130 L131 L132 E137 Q138V12-N134 WeakPolarHBondContact O-CB 3.38Å; V12-N134 PolarHBondContact O-ND2 3.49Å; C130-N134 WeakPolarHBondContact O-CB 3.26Å; C130-N134 VanDerWaalsContact O-CG 3.28Å; C130-N134 PolarHBondContact O-N 3.19Å; C130-N134 PolarHBondContact O-ND2 3.46Å; L131-N134 PolarHBondContact O-N 3.24Å; L132-N134 PolarHBondContact O-N 3.48Å; N134-E137 PolarHBondContact O-N 2.74Å; N134-Q138 WeakPolarHBondContact O-CB 3.2Å; N134-Q138 VanDerWaalsContact O-CG 3.32Å; N134-Q138 WeakPolarHBondContact O-CG 3.38Å; N134-Q138 PolarHBondContact O-N 2.96Å
135A98.6Very high97.3Very high0 Ų042.6 Ų42.60%024%0.244CC..Hα-helixtrans-64.8-40.6172.400000111.6L8 V21 W85 L131 L132 Q138 L139L8-A135 HydrophobicContact CD1-CB 4.02Å; L8-A135 WeakPolarHBondContact CD1-O 3.46Å; V21-A135 HydrophobicContact CB-CB 4.38Å; V21-A135 HydrophobicContact CG1-CB 4.27Å; V21-A135 HydrophobicContact CG2-CB 4.3Å; W85-A135 HydrophobicContact CE3-CB 4.44Å; W85-A135 HydrophobicContact CZ3-CB 4.08Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.46Å; L132-A135 PolarHBondContact O-N 2.91Å; A135-Q138 PolarHBondContact O-N 3.15Å; A135-L139 WeakPolarHBondContact O-CB 3.46Å; A135-L139 PolarHBondContact O-N 2.91Å
136V98.1Very high97.2Very high16 Ų1643.1 Ų43.110%0.09725%0.247CC..Hα-helixtrans-61-46.7173.1170.40000110.5W85 L132 S133 L139 L140 C148 T150W85-V136 HydrophobicContact CH2-CG2 3.77Å; W85-V136 HydrophobicContact CZ2-CG2 3.94Å; L132-V136 VanDerWaalsContact O-CG2 3.28Å; L132-V136 WeakPolarHBondContact O-CG2 3.25Å; L132-V136 PolarHBondContact O-N 3.37Å; S133-V136 PolarHBondContact O-N 3.49Å; V136-L139 WeakPolarHBondContact O-CB 3.42Å; V136-L139 PolarHBondContact O-N 3.2Å; V136-L140 HydrophobicContact CG1-CD1 3.85Å; V136-L140 HydrophobicContact CG1-CG 4.32Å; V136-L140 VanDerWaalsContact O-CG 3.27Å; V136-L140 WeakPolarHBondContact O-CG 3.29Å; V136-L140 PolarHBondContact O-N 3.24Å; V136-C148 HydrophobicContact CG1-CB 4.37Å; V136-T150 HydrophobicContact CG2-CG2 3.76Å
137E97.5Very high97.1Very high109 Ų10946.8 Ų46.851%0.50926%0.264SS..Hα-helixtrans-60.9-47.2177.6-172.8-179.1173.800112.2S133 N134 L139 L140 N141S133-E137 PolarHBondContact O-N 2.81Å; N134-E137 PolarHBondContact O-N 2.74Å; E137-L139 VanDerWaalsContact C-N 3.27Å; E137-L139 PolarHBondContact O-N 3.44Å; E137-L140 PolarHBondContact O-N 3.24Å; E137-N141 WeakPolarHBondContact O-CB 3.03Å; E137-N141 VanDerWaalsContact O-CG 3.3Å; E137-N141 PolarHBondContact O-N 3.44Å; E137-N141 PolarHBondContact O-ND2 2.77Å
138Q98.1Very high96.9Very high61 Ų6147.6 Ų47.629%0.28527%0.27SS..Hα-helixtrans-59.5-38.8175.9-74.5-172.216.600112.2L8 C11 N134 A135 N141 C142L8-Q138 HydrophobicContact CD2-CB 4.33Å; C11-Q138 PolarHBondContact SG-OE1 3.24Å; N134-Q138 WeakPolarHBondContact O-CB 3.2Å; N134-Q138 VanDerWaalsContact O-CG 3.32Å; N134-Q138 WeakPolarHBondContact O-CG 3.38Å; N134-Q138 PolarHBondContact O-N 2.96Å; A135-Q138 PolarHBondContact O-N 3.15Å; Q138-N141 PolarHBondContact O-N 3.36Å; Q138-C142 PolarHBondContact O-N 2.9Å; Q138-C142 PolarHBondContact O-SG 2.75Å
139L98.1Very high96.6Very high0 Ų050.7 Ų50.70%028%0.284CS..Hα-helixtrans-66.1-45.9176.7-177.862.6000111.7R6 L8 F23 W85 A135 V136 E137 N141 C142 E143 I146 C148R6-L139 HydrophobicContact CB-CD1 4.06Å; R6-L139 HydrophobicContact CG-CD1 3.8Å; L8-L139 HydrophobicContact CD1-CB 4.17Å; L8-L139 HydrophobicContact CD2-CB 4.42Å; L8-L139 HydrophobicContact CD2-CD1 4.5Å; F23-L139 HydrophobicContact CB-CD2 4.41Å; F23-L139 HydrophobicContact CD1-CD1 3.8Å; F23-L139 HydrophobicContact CD1-CD2 3.72Å; F23-L139 HydrophobicContact CD1-CG 4.43Å; F23-L139 HydrophobicContact CD2-CD2 3.59Å; F23-L139 HydrophobicContact CE1-CD1 4.27Å; F23-L139 HydrophobicContact CE1-CD2 3.79Å; F23-L139 HydrophobicContact CE2-CD2 3.63Å; F23-L139 HydrophobicContact CG-CD1 4.16Å; F23-L139 HydrophobicContact CG-CD2 3.61Å; F23-L139 HydrophobicContact CZ-CD2 3.74Å; W85-L139 HydrophobicContact CH2-CD2 3.71Å; W85-L139 HydrophobicContact CZ3-CD2 4.25Å; A135-L139 WeakPolarHBondContact O-CB 3.46Å; A135-L139 PolarHBondContact O-N 2.91Å; V136-L139 WeakPolarHBondContact O-CB 3.42Å; V136-L139 PolarHBondContact O-N 3.2Å; E137-L139 VanDerWaalsContact C-N 3.27Å; E137-L139 PolarHBondContact O-N 3.44Å; L139-N141 PolarHBondContact O-N 3.02Å; L139-C142 PolarHBondContact O-N 2.96Å; L139-C142 VanDerWaalsContact O-N 3.13Å; L139-E143 HydrophobicContact CD1-CB 4.2Å; L139-E143 PolarHBondContact O-N 2.83Å; L139-I146 HydrophobicContact CD1-CD1 4.18Å; L139-I146 HydrophobicContact CD2-CD1 3.79Å; L139-I146 HydrophobicContact CG-CD1 4.02Å; L139-I146 HydrophobicContact CG-CG2 4.28Å; L139-C148 HydrophobicContact CD2-CB 4.24Å
140L97Very high96.3Very high83 Ų8351 Ų5144%0.43529%0.285SS..Hα-helixtrans-61.1-34177.6-69.8170.1000111.9V136 E137 I146 C148V136-L140 HydrophobicContact CG1-CD1 3.85Å; V136-L140 HydrophobicContact CG1-CG 4.32Å; V136-L140 VanDerWaalsContact O-CG 3.27Å; V136-L140 WeakPolarHBondContact O-CG 3.29Å; V136-L140 PolarHBondContact O-N 3.24Å; E137-L140 PolarHBondContact O-N 3.24Å; L140-I146 HydrophobicContact CD2-CG2 3.92Å; L140-I146 WeakPolarHBondContact CD2-O 3.49Å; L140-C148 HydrophobicContact CD2-CB 4.36Å
141N96.7Very high95.8Very high128 Ų12851.2 Ų51.268%0.68429%0.287SS*.Hα-helixtrans-74.4-25176.9-71.7-28.7000113.6E137 Q138 L139E137-N141 WeakPolarHBondContact O-CB 3.03Å; E137-N141 VanDerWaalsContact O-CG 3.3Å; E137-N141 PolarHBondContact O-N 3.44Å; E137-N141 PolarHBondContact O-ND2 2.77Å; Q138-N141 PolarHBondContact O-N 3.36Å; L139-N141 PolarHBondContact O-N 3.02Å
142C95.8Very high95.3Very high65 Ų6555.1 Ų55.144%0.43931%0.311SS..Hα-helixtrans-111.2-10.1-175.174.90000115.5Q138 L139Q138-C142 PolarHBondContact O-N 2.9Å; Q138-C142 PolarHBondContact O-SG 2.75Å; L139-C142 PolarHBondContact O-N 2.96Å; L139-C142 VanDerWaalsContact O-N 3.13Å
143E95.8Very high95.2Very high20 Ų2055.9 Ų55.99%0.09332%0.315CS..SBendtrans-125.3105.9176.8179.664.8-144.400111.8I4 R6 K27 L139 N145 I146I4-E143 HydrophobicContact CD1-CG 3.97Å; I4-E143 HydrophobicContact CG2-CG 4.09Å; R6-E143 IonicContact CZ-OE2 3.69Å; R6-E143 IonicContact NE-OE2 2.74Å; R6-E143 IonicContact NH1-OE2 2.79Å; R6-E143 IonicContact NH2-OE2 3.36Å; R6-E143 PolarHBondContact NH2-OE2 3.31Å; K27-E143 WeakPolarHBondContact CE-OE1 3.13Å; K27-E143 IonicContact NZ-OE1 3.65Å; K27-E143 PolarHBondContact NZ-OE1 2.93Å; L139-E143 HydrophobicContact CD1-CB 4.2Å; L139-E143 PolarHBondContact O-N 2.83Å; E143-N145 PolarHBondContact O-N 2.73Å; E143-I146 HydrophobicContact CB-CB 4.23Å; E143-I146 HydrophobicContact CB-CG2 3.96Å; E143-I146 HydrophobicContact CG-CB 3.75Å; E143-I146 HydrophobicContact CG-CD1 4.05Å; E143-I146 HydrophobicContact CG-CG1 4.49Å; E143-I146 HydrophobicContact CG-CG2 4.07Å; E143-I146 VanDerWaalsContact O-CG2 3.24Å; E143-I146 WeakPolarHBondContact O-CG2 3.3Å; E143-I146 PolarHBondContact O-N 3.15Å
144A93.3Very high95.3Very high69 Ų6955.1 Ų55.157%0.5731%0.309SS*.THydrogen-bonded Turntrans-62.3132.9-179.900000112.6K27 I146K27-A144 PolarHBondContact NZ-O 3.31Å; A144-I146 PolarHBondContact O-N 3.07Å
145N92.7Very high95.3Very high144 Ų14453 Ų5377%0.7730%0.297SS*.THydrogen-bonded Turntrans64.218.3177.6-48.6-55.4000115.1E143E143-N145 PolarHBondContact O-N 2.73Å
146I96.1Very high95.3Very high11 Ų1154.2 Ų54.26%0.05630%0.302CS..  trans-74.5136169-165.2158.4000110.2I4 F23 L139 L140 E143 A144 C148I4-I146 HydrophobicContact CD1-CD1 4.27Å; F23-I146 HydrophobicContact CE1-CD1 3.59Å; F23-I146 HydrophobicContact CZ-CD1 3.76Å; L139-I146 HydrophobicContact CD1-CD1 4.18Å; L139-I146 HydrophobicContact CD2-CD1 3.79Å; L139-I146 HydrophobicContact CG-CD1 4.02Å; L139-I146 HydrophobicContact CG-CG2 4.28Å; L140-I146 HydrophobicContact CD2-CG2 3.92Å; L140-I146 WeakPolarHBondContact CD2-O 3.49Å; E143-I146 HydrophobicContact CB-CB 4.23Å; E143-I146 HydrophobicContact CB-CG2 3.96Å; E143-I146 HydrophobicContact CG-CB 3.75Å; E143-I146 HydrophobicContact CG-CD1 4.05Å; E143-I146 HydrophobicContact CG-CG1 4.49Å; E143-I146 HydrophobicContact CG-CG2 4.07Å; E143-I146 VanDerWaalsContact O-CG2 3.24Å; E143-I146 WeakPolarHBondContact O-CG2 3.3Å; E143-I146 PolarHBondContact O-N 3.15Å; A144-I146 PolarHBondContact O-N 3.07Å; I146-C148 HydrophobicContact CG1-CB 4.47Å
147Q95.1Very high95.3Very high104 Ų10453.4 Ų53.449%0.48630%0.297SS..  trans-101.6118.3168.6-64.4178-7.700108.3K27 S29 P30 H83K27-Q147 PolarHBondContact O-N 2.69Å; S29-Q147 WeakPolarHBondContact OG-CB 3.3Å; S29-Q147 PolarHBondContact OG-OE1 3.08Å; P30-Q147 WeakPolarHBondContact CD-O 3.48Å; H83-Q147 PolarHBondContact CE1-O 3.09Å; H83-Q147 VanDerWaalsContact CE1-O 3.31Å
148C94.4Very high95.4Very high17 Ų1748.2 Ų48.212%0.11527%0.273CS..  trans-144.3132-172.8-172.80000110.3W85 V136 L139 L140 I146W85-C148 WeakPolarHBondContact CH2-SG 3.37Å; W85-C148 WeakPolarHBondContact CZ2-SG 3.45Å; V136-C148 HydrophobicContact CG1-CB 4.37Å; L139-C148 HydrophobicContact CD2-CB 4.24Å; L140-C148 HydrophobicContact CD2-CB 4.36Å; I146-C148 HydrophobicContact CG1-CB 4.47Å
149Q92.2Very high95.5Very high64 Ų6445.3 Ų45.330%0.29926%0.259SS..  trans-152.3150.5174.862.7176-25.600111P30 N33 S151 T152 I153P30-Q149 HydrophobicContact CG-CG 4.42Å; N33-Q149 PolarHBondContact ND2-O 3.34Å; Q149-S151 PolarHBondContact OE1-O 3.35Å; Q149-T152 PolarHBondContact OE1-OG1 3.47Å; Q149-I153 HydrophobicContact CG-CD1 4.09Å; Q149-I153 HydrophobicContact CG-CG1 4.5Å
150T90.9Very high95.5Very high20 Ų2045.3 Ų45.312%0.12326%0.259CS..SBendtrans-116.4-7.9172.750.20000112.6W85 L132 V136W85-T150 HydrophobicContact CZ2-CG2 4.45Å; L132-T150 HydrophobicContact CB-CG2 4.31Å; V136-T150 HydrophobicContact CG2-CG2 3.76Å
151S87.3Confident95.5Very high49 Ų4941.8 Ų41.834%0.34324%0.242SC..SBendtrans-84.7153.117151.80000111.4Q149 I153 E197Q149-S151 PolarHBondContact OE1-O 3.35Å; S151-I153 PolarHBondContact O-N 2.84Å; S151-E197 WeakPolarHBondContact CB-OE1 3.43Å
152T89.8Confident95.6Very high82 Ų8235.8 Ų35.850%0.50321%0.209SC..SBendtrans66.1-3.8169.973.90000118.2Q149 F201Q149-T152 PolarHBondContact OE1-OG1 3.47Å; T152-F201 VanDerWaalsContact C-CE1 3.49Å; T152-F201 VanDerWaalsContact CA-CE1 3.46Å; T152-F201 VanDerWaalsContact CA-CZ 3.42Å
153I96.6Very high95.7Very high19 Ų1932.7 Ų32.710%0.09719%0.188CC..SBendtrans-125.3153.9178.363.1173.1000111.4P30 N33 Q149 S151 I155P30-I153 HydrophobicContact CB-CD1 3.81Å; P30-I153 HydrophobicContact CG-CD1 3.61Å; P30-I153 WeakPolarHBondContact O-CD1 3.33Å; N33-I153 VanDerWaalsContact ND2-CD1 3.33Å; N33-I153 WeakPolarHBondContact ND2-CD1 3.39Å; N33-I153 WeakPolarHBondContact ND2-CG1 3.09Å; Q149-I153 HydrophobicContact CG-CD1 4.09Å; Q149-I153 HydrophobicContact CG-CG1 4.5Å; S151-I153 PolarHBondContact O-N 2.84Å; I153-I155 PolarHBondContact O-N 2.92Å
154P98.3Very high95.9Very high52 Ų5231.7 Ų31.734%0.33818%0.184SC..  trans-56.7136.3-177.9-26.435.4000113.4V32 N33 T203V32-P154 CarbonylContact C-O 3.56Å; V32-P154 WeakPolarHBondContact CA-O 3.33Å; V32-P154 HydrophobicContact CG2-CB 4.26Å; V32-P154 WeakPolarHBondContact CG2-O 3.49Å; N33-P154 PolarHBondContact N-O 2.91Å; P154-T203 HydrophobicContact CB-CG2 3.89Å; P154-T203 HydrophobicContact CG-CG2 4.46Å
155I98.8Very high96.1Very high0 Ų028.6 Ų28.60%016%0.158CC..EExtended strand (participates in β ladder)trans-113.1126.2171.8-55.7178000107.5N33 V35 I153 L157 L198 F201 I202 T203N33-I155 HydrophobicContact CB-CG1 4.33Å; N33-I155 WeakPolarHBondContact O-CA 3.38Å; V35-I155 HydrophobicContact CG2-CG2 3.86Å; I153-I155 PolarHBondContact O-N 2.92Å; I155-L157 HydrophobicContact CG2-CD2 3.66Å; I155-L198 HydrophobicContact CD1-CD1 3.36Å; I155-L198 HydrophobicContact CD1-CG 4.27Å; I155-F201 HydrophobicContact CD1-CB 4.38Å; I155-F201 HydrophobicContact CG1-CB 4.33Å; I155-F201 PolarHBondContact N-O 3.23Å; I155-I202 HydrophobicContact CB-CG1 4.4Å; I155-I202 HydrophobicContact CG2-CG1 4.45Å; I155-I202 CarbonylContact O-C 3.55Å; I155-I202 WeakPolarHBondContact O-CA 3.38Å; I155-T203 PolarHBondContact O-N 3.43Å
156R98.7Very high96.4Very high25 Ų2521.8 Ų21.89%0.09412%0.121CC..EExtended strand (participates in β ladder)trans-113.7116.3174.6-55.3-167.7180-168.96.9108.6V32 N33 L34 V35 D204 Y206 F314V32-R156 HydrophobicContact CG2-CG 4.09Å; N33-R156 PolarHBondContact O-N 3.36Å; L34-R156 HydrophobicContact CD2-CB 3.9Å; L34-R156 HydrophobicContact CD2-CG 4.23Å; V35-R156 PolarHBondContact N-O 3.37Å; R156-D204 WeakPolarHBondContact CA-O 3.46Å; R156-D204 HydrophobicContact CB-CB 4.14Å; R156-D204 HydrophobicContact CG-CB 3.89Å; R156-D204 IonicContact NE-OD1 2.59Å; R156-Y206 HydrophobicContact CB-CE2 4.09Å; R156-Y206 PolarHBondContact NH1-OH 2.87Å; R156-F314 PolarHBondContact NH1-OXT 3.34Å
157L98.9Very high96.5Very high0 Ų021.2 Ų21.20%012%0.119CC..EExtended strand (participates in β ladder)trans-89.7136.9177-47.8-175.6000109.6V35 L128 I155 L167 I170 I202 D204 L205 Y206V35-L157 HydrophobicContact CB-CD2 3.68Å; V35-L157 HydrophobicContact CG1-CD2 4.2Å; V35-L157 HydrophobicContact CG2-CD2 4.1Å; V35-L157 CarbonylContact O-C 3.56Å; V35-L157 WeakPolarHBondContact O-CA 3.31Å; L128-L157 HydrophobicContact CD2-CD1 4.09Å; L128-L157 HydrophobicContact CD2-CD2 4.1Å; I155-L157 HydrophobicContact CG2-CD2 3.66Å; L157-L167 HydrophobicContact CB-CD1 4.21Å; L157-L167 HydrophobicContact CB-CG 4.25Å; L157-I170 HydrophobicContact CD1-CD1 3.69Å; L157-I170 HydrophobicContact CD1-CG2 3.9Å; L157-I202 HydrophobicContact CD1-CD1 4.15Å; L157-I202 HydrophobicContact CD1-CG2 4.2Å; L157-I202 HydrophobicContact CG-CG2 4.15Å; L157-D204 PolarHBondContact N-O 3.28Å; L157-L205 HydrophobicContact CB-CD2 3.66Å; L157-L205 HydrophobicContact CD1-CD2 3.68Å; L157-L205 HydrophobicContact CG-CD2 3.82Å; L157-L205 CarbonylContact O-C 3.57Å; L157-L205 WeakPolarHBondContact O-CA 3.34Å; L157-Y206 PolarHBondContact O-N 2.87Å
158I99Very high96.7Very high0 Ų016.3 Ų16.30%010%0.096CC..EExtended strand (participates in β ladder)trans-130.4117-175.4-52.3164.8000106.9L34 V35 Y36 F37 L69 Y206 L208 F314L34-I158 HydrophobicContact CB-CD1 4.13Å; V35-I158 PolarHBondContact O-N 3.44Å; Y36-I158 CarbonylContact C-O 3.49Å; Y36-I158 VanDerWaalsContact CA-O 3.3Å; Y36-I158 WeakPolarHBondContact CA-O 3.49Å; Y36-I158 HydrophobicContact CD2-CB 3.94Å; Y36-I158 HydrophobicContact CD2-CG2 3.66Å; Y36-I158 HydrophobicContact CE2-CG2 4.1Å; F37-I158 PolarHBondContact N-O 2.95Å; L69-I158 HydrophobicContact CD1-CD1 4.35Å; L69-I158 HydrophobicContact CD2-CD1 4.15Å; I158-Y206 HydrophobicContact CG1-CD2 4.06Å; I158-Y206 HydrophobicContact CG1-CG 4.41Å; I158-L208 HydrophobicContact CG2-CD1 3.39Å; I158-L208 HydrophobicContact CG2-CG 3.99Å; I158-F314 HydrophobicContact CD1-CE1 3.62Å; I158-F314 HydrophobicContact CD1-CZ 4.06Å; I158-F314 HydrophobicContact CG1-CE1 4.42Å
159G98.9Very high96.9Very high0 Ų015.5 Ų15.50%09%0.09CC..EExtended strand (participates in β ladder)trans-108.1133.8173.400000108.4C164 Y206 L208G159-C164 PolarHBondContact O-SG 3.37Å; G159-Y206 PolarHBondContact N-O 3.21Å; G159-L208 WeakPolarHBondContact O-CA 3.39Å; G159-L208 VanDerWaalsContact O-CB 3.29Å; G159-L208 WeakPolarHBondContact O-CB 3.47Å; G159-L208 WeakPolarHBondContact O-CG 3.5Å; G159-L208 PolarHBondContact O-N 2.9Å
160F98.8Very high97.2Very high0 Ų012.5 Ų12.50%08%0.076CC..EExtended strand (participates in β ladder)trans-117.8132.8169.7171.4-106.9000110.2Y36 F37 G38 G39 Q42 K162 G163 L208 D209 H305 F306 I308 L309Y36-F160 HydrophobicContact CE2-CB 3.83Å; Y36-F160 WeakPolarHBondContact OH-CB 3.37Å; F37-F160 PolarHBondContact O-N 2.88Å; G38-F160 CarbonylContact C-O 3.56Å; G39-F160 WeakPolarHBondContact CA-O 3.07Å; G39-F160 PolarHBondContact N-O 2.84Å; Q42-F160 HydrophobicContact CG-CE1 4.47Å; Q42-F160 VanDerWaalsContact OE1-CD1 3.22Å; F160-K162 PolarHBondContact O-N 3.47Å; F160-K162 VanDerWaalsContact O-N 3.16Å; F160-G163 WeakPolarHBondContact O-CA 3.48Å; F160-G163 PolarHBondContact O-N 2.83Å; F160-L208 CarbonylContact C-O 3.48Å; F160-L208 VanDerWaalsContact CA-O 3.31Å; F160-L208 WeakPolarHBondContact CA-O 3.38Å; F160-L208 HydrophobicContact CB-CB 4.25Å; F160-L208 HydrophobicContact CD2-CB 3.97Å; F160-L208 VanDerWaalsContact CD2-O 3.3Å; F160-L208 WeakPolarHBondContact CD2-O 3.48Å; F160-D209 HydrophobicContact CE2-CB 4.38Å; F160-H305 AromaticContact CE1-NE2 3.79Å; F160-H305 AromaticContact CE2-CE1 3.69Å; F160-H305 AromaticContact CE2-NE2 3.9Å; F160-H305 VanDerWaalsContact CE2-O 3.23Å; F160-H305 WeakPolarHBondContact CE2-O 3.33Å; F160-H305 AromaticContact CZ-CD2 3.54Å; F160-H305 AromaticContact CZ-CE1 3.57Å; F160-H305 AromaticContact CZ-NE2 3.28Å; F160-H305 VanDerWaalsContact CZ-NE2 3.28Å; F160-H305 WeakPolarHBondContact CZ-NE2 3.21Å; F160-F306 AromaticContact CE1-CD1 3.7Å; F160-F306 HydrophobicContact CE1-CD1 3.7Å; F160-F306 AromaticContact CE1-CE1 3.65Å; F160-F306 HydrophobicContact CE1-CE1 3.65Å; F160-F306 AromaticContact CZ-CD1 3.73Å; F160-F306 HydrophobicContact CZ-CD1 3.73Å; F160-F306 HydrophobicContact CZ-CE1 4.08Å; F160-F306 HydrophobicContact CZ-CG 4.33Å; F160-I308 HydrophobicContact CD2-CG2 3.99Å; F160-I308 HydrophobicContact CE2-CG2 3.64Å; F160-L309 HydrophobicContact CB-CD2 4.16Å; F160-L309 HydrophobicContact CD1-CD1 4.44Å; F160-L309 HydrophobicContact CD2-CD2 3.8Å; F160-L309 HydrophobicContact CD2-CG 4.19Å; F160-L309 HydrophobicContact CE1-CD1 4.38Å; F160-L309 HydrophobicContact CE2-CD2 4.38Å; F160-L309 HydrophobicContact CE2-CG 4.26Å; F160-L309 HydrophobicContact CG-CD2 3.9Å; F160-L309 HydrophobicContact CG-CG 4.47Å; F160-L309 HydrophobicContact CZ-CD1 4.45Å
161S98.1Very high97.5Very high9 Ų911.6 Ų11.66%0.0637%0.071CC..G310 helixtrans53.7-120.9175-1700000111.2G163 C164 L208 D209 G211 H305S161-G163 PolarHBondContact O-N 2.81Å; S161-C164 WeakPolarHBondContact O-CB 3.28Å; S161-C164 PolarHBondContact O-N 3.38Å; S161-C164 VanDerWaalsContact O-N 3.09Å; S161-L208 PolarHBondContact N-O 2.97Å; S161-D209 WeakPolarHBondContact CA-O 3.44Å; S161-G211 CarbonylContact C-O 3.55Å; S161-H305 WeakPolarHBondContact CB-CE1 3.39Å; S161-H305 WeakPolarHBondContact CB-NE2 3.48Å; S161-H305 PolarHBondContact OG-CE1 2.75Å; S161-H305 VanDerWaalsContact OG-CE1 3.32Å; S161-H305 PolarHBondContact OG-NE2 2.66Å
162K98Very high98Very high1 Ų19.2 Ų9.20%0.0045%0.054CC..G310 helixtrans-51.3-38.3172.3-168.595.2-95-164.70113.5D40 A98 Y100 G110 F160 C164 C165 H212D40-K162 WeakPolarHBondContact OD1-CD 3.27Å; A98-K162 HydrophobicContact CB-CG 4.15Å; A98-K162 VanDerWaalsContact O-CD 3.25Å; A98-K162 WeakPolarHBondContact O-CD 3.38Å; A98-K162 WeakPolarHBondContact O-CG 3.41Å; Y100-K162 HydrophobicContact CE2-CG 4.48Å; G110-K162 PolarHBondContact O-NZ 3.35Å; F160-K162 PolarHBondContact O-N 3.47Å; F160-K162 VanDerWaalsContact O-N 3.16Å; K162-C164 PolarHBondContact O-N 2.92Å; K162-C164 VanDerWaalsContact O-N 3.16Å; K162-C165 PolarHBondContact O-N 3.07Å; K162-C165 VanDerWaalsContact O-N 3.09Å; K162-C165 PolarHBondContact O-SG 3.49Å; K162-H212 VanDerWaalsContact NZ-CB 3.26Å
163G98.7Very high98.3Very high0 Ų05.3 Ų5.30%03%0.03CC..G310 helixtrans-61.9-20.9179.800000114.2G38 F160 S161 C165 V166G38-G163 VanDerWaalsContact O-CA 3.3Å; G38-G163 WeakPolarHBondContact O-CA 3.32Å; G38-G163 PolarHBondContact O-N 2.86Å; G38-G163 VanDerWaalsContact O-N 3.08Å; F160-G163 WeakPolarHBondContact O-CA 3.48Å; F160-G163 PolarHBondContact O-N 2.83Å; S161-G163 PolarHBondContact O-N 2.81Å; G163-C165 PolarHBondContact O-N 3.39Å; G163-V166 WeakPolarHBondContact O-CB 3.12Å; G163-V166 PolarHBondContact O-N 2.98Å; G163-V166 VanDerWaalsContact O-N 3.16Å
164C98.8Very high98.3Very high0 Ų05.1 Ų5.10%03%0.029CC..Hα-helixtrans-61-24.4172.8-70.90000113.8G159 S161 K162 V166 L167 T168 W207 S210G159-C164 PolarHBondContact O-SG 3.37Å; S161-C164 WeakPolarHBondContact O-CB 3.28Å; S161-C164 PolarHBondContact O-N 3.38Å; S161-C164 VanDerWaalsContact O-N 3.09Å; K162-C164 PolarHBondContact O-N 2.92Å; K162-C164 VanDerWaalsContact O-N 3.16Å; C164-V166 VanDerWaalsContact C-N 3.25Å; C164-V166 PolarHBondContact O-N 3.19Å; C164-L167 PolarHBondContact O-N 2.91Å; C164-T168 PolarHBondContact O-N 3.18Å; C164-T168 PolarHBondContact O-OG1 3.5Å; C164-T168 VanDerWaalsContact O-OG1 3.12Å; C164-W207 PolarHBondContact O-NE1 2.95Å; C164-S210 WeakPolarHBondContact CB-OG 3.38Å
165C98.4Very high98.1Very high4 Ų42.7 Ų2.73%0.0271%0.013CC..Hα-helixtrans-63.3-34.2176710000112.2M104 P112 F114 K162 G163 T168 E169M104-C165 HydrophobicContact SD-CB 3.69Å; M104-C165 VanDerWaalsContact SD-SG 3.64Å; P112-C165 HydrophobicContact CB-CB 3.93Å; P112-C165 HydrophobicContact CG-CB 4.02Å; F114-C165 HydrophobicContact CE1-CB 4.23Å; F114-C165 HydrophobicContact CE2-CB 4.5Å; F114-C165 HydrophobicContact CZ-CB 3.6Å; K162-C165 PolarHBondContact O-N 3.07Å; K162-C165 VanDerWaalsContact O-N 3.09Å; K162-C165 PolarHBondContact O-SG 3.49Å; G163-C165 PolarHBondContact O-N 3.39Å; C165-T168 PolarHBondContact O-N 3.41Å; C165-E169 PolarHBondContact O-N 2.91Å
166V98.7Very high97.7Very high0 Ų03.9 Ų3.90%02%0.021CC..Hα-helixtrans-65.2-42.3175.3-177.70000110.6F37 Y100 F103 G163 C164 T168 E169 I170F37-V166 HydrophobicContact CD1-CB 4.22Å; F37-V166 HydrophobicContact CD1-CG1 4Å; F37-V166 HydrophobicContact CD1-CG2 4.1Å; F37-V166 HydrophobicContact CD2-CB 4.38Å; F37-V166 HydrophobicContact CD2-CG1 4.19Å; F37-V166 HydrophobicContact CE1-CB 4.45Å; F37-V166 HydrophobicContact CE1-CG1 3.73Å; F37-V166 HydrophobicContact CE2-CG1 3.93Å; F37-V166 HydrophobicContact CG-CB 4.17Å; F37-V166 HydrophobicContact CG-CG1 4.21Å; F37-V166 HydrophobicContact CG-CG2 4.36Å; F37-V166 HydrophobicContact CZ-CG1 3.68Å; Y100-V166 VanDerWaalsContact CB-CG2 3.48Å; Y100-V166 HydrophobicContact CD1-CG2 3.81Å; Y100-V166 HydrophobicContact CD2-CG2 3.74Å; Y100-V166 HydrophobicContact CE1-CG2 4.49Å; Y100-V166 HydrophobicContact CE2-CG2 4.43Å; Y100-V166 HydrophobicContact CG-CG2 3.38Å; F103-V166 HydrophobicContact CB-CG1 4.04Å; F103-V166 HydrophobicContact CB-CG2 4.29Å; F103-V166 HydrophobicContact CD1-CG1 3.62Å; F103-V166 HydrophobicContact CD2-CG1 4.48Å; F103-V166 HydrophobicContact CE1-CG1 4.19Å; F103-V166 HydrophobicContact CG-CG1 3.79Å; F103-V166 HydrophobicContact CG-CG2 4.38Å; G163-V166 WeakPolarHBondContact O-CB 3.12Å; G163-V166 PolarHBondContact O-N 2.98Å; G163-V166 VanDerWaalsContact O-N 3.16Å; C164-V166 VanDerWaalsContact C-N 3.25Å; C164-V166 PolarHBondContact O-N 3.19Å; V166-T168 VanDerWaalsContact C-N 3.33Å; V166-E169 PolarHBondContact O-N 3.05Å; V166-I170 HydrophobicContact CG1-CD1 3.85Å; V166-I170 HydrophobicContact CG1-CG1 4.45Å; V166-I170 WeakPolarHBondContact O-CB 3.47Å; V166-I170 VanDerWaalsContact O-CG1 3.3Å; V166-I170 WeakPolarHBondContact O-CG1 3.3Å; V166-I170 PolarHBondContact O-N 3.16Å
167L98.8Very high97.3Very high0 Ų02.9 Ų2.90%02%0.017CC..Hα-helixtrans-64.6-39.6175.7-88.362000111.7F37 L157 C164 I170 L171 L205 Y206 W207F37-L167 HydrophobicContact CD2-CD1 3.69Å; F37-L167 HydrophobicContact CE2-CD1 4.2Å; L157-L167 HydrophobicContact CB-CD1 4.21Å; L157-L167 HydrophobicContact CB-CG 4.25Å; C164-L167 PolarHBondContact O-N 2.91Å; L167-I170 PolarHBondContact O-N 3.1Å; L167-L171 VanDerWaalsContact O-CB 3.3Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 PolarHBondContact O-N 2.87Å; L167-L205 HydrophobicContact CG-CD2 4.5Å; L167-Y206 WeakPolarHBondContact CD2-O 3.26Å; L167-W207 HydrophobicContact CB-CD2 4.4Å; L167-W207 HydrophobicContact CB-CH2 4.38Å; L167-W207 HydrophobicContact CB-CZ2 3.72Å; L167-W207 HydrophobicContact CD2-CD2 4.25Å; L167-W207 HydrophobicContact CD2-CE3 4.48Å
168T98.6Very high96.6Very high1 Ų13.9 Ų3.91%0.0062%0.024CC..Hα-helixtrans-62.5-45.7175.5-59.90000111.1F114 C164 C165 V166 L171 Y172 W207 P220F114-T168 HydrophobicContact CD1-CG2 3.9Å; F114-T168 HydrophobicContact CE1-CG2 3.45Å; F114-T168 VanDerWaalsContact CE1-CG2 3.45Å; F114-T168 HydrophobicContact CZ-CG2 4.11Å; C164-T168 PolarHBondContact O-N 3.18Å; C164-T168 PolarHBondContact O-OG1 3.5Å; C164-T168 VanDerWaalsContact O-OG1 3.12Å; C165-T168 PolarHBondContact O-N 3.41Å; V166-T168 VanDerWaalsContact C-N 3.33Å; T168-L171 PolarHBondContact O-N 3.34Å; T168-Y172 HydrophobicContact CG2-CD2 4.2Å; T168-Y172 HydrophobicContact CG2-CE1 4.38Å; T168-Y172 HydrophobicContact CG2-CE2 3.64Å; T168-Y172 PolarHBondContact O-N 2.8Å; T168-Y172 VanDerWaalsContact O-N 3.08Å; T168-W207 PolarHBondContact OG1-NE1 2.82Å; T168-P220 HydrophobicContact CG2-CB 4.17Å; T168-P220 HydrophobicContact CG2-CG 4.08Å
169E98.1Very high95.8Very high0 Ų08 Ų80%04%0.043CC..Hα-helixtrans-59.6-50.7175.5-166.876.9166.600110.9M104 N116 I119 C165 V166 L171 Y172 E173M104-E169 HydrophobicContact CB-CB 4.3Å; M104-E169 HydrophobicContact CB-CG 3.88Å; M104-E169 HydrophobicContact SD-CB 4.28Å; N116-E169 PolarHBondContact ND2-OE1 3.35Å; I119-E169 VanDerWaalsContact CG1-OE1 3.26Å; I119-E169 WeakPolarHBondContact CG1-OE1 3.44Å; C165-E169 PolarHBondContact O-N 2.91Å; V166-E169 PolarHBondContact O-N 3.05Å; E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.78Å; E169-Y172 PolarHBondContact O-N 3.29Å; E169-Y172 VanDerWaalsContact O-N 3.09Å; E169-E173 WeakPolarHBondContact O-CG 3.48Å; E169-E173 PolarHBondContact O-N 2.91Å
170I98.5Very high94.3Very high0 Ų08.4 Ų8.40%05%0.046CC..Hα-helixtrans-60.5-40178.9-70.4171.4000111.5L125 L128 L157 V166 L167 Y172 E173 L174 I202L125-I170 HydrophobicContact CD2-CG2 3.91Å; L125-I170 HydrophobicContact CG-CG2 4.38Å; L128-I170 HydrophobicContact CD2-CD1 3.89Å; L157-I170 HydrophobicContact CD1-CD1 3.69Å; L157-I170 HydrophobicContact CD1-CG2 3.9Å; V166-I170 HydrophobicContact CG1-CD1 3.85Å; V166-I170 HydrophobicContact CG1-CG1 4.45Å; V166-I170 WeakPolarHBondContact O-CB 3.47Å; V166-I170 VanDerWaalsContact O-CG1 3.3Å; V166-I170 WeakPolarHBondContact O-CG1 3.3Å; V166-I170 PolarHBondContact O-N 3.16Å; L167-I170 PolarHBondContact O-N 3.1Å; I170-Y172 VanDerWaalsContact C-N 3.3Å; I170-Y172 PolarHBondContact O-N 2.85Å; I170-E173 PolarHBondContact O-N 3.11Å; I170-L174 HydrophobicContact CG2-CD1 3.98Å; I170-L174 HydrophobicContact CG2-CG 4.21Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 WeakPolarHBondContact O-CG 3.35Å; I170-L174 PolarHBondContact O-N 2.79Å; I170-I202 HydrophobicContact CG2-CD1 4.47Å
171L98.3Very high92.8Very high1 Ų114 Ų141%0.0057%0.07CC..Hα-helixtrans-62.2-40.3176.9-178.565.9000111.4L167 T168 E169 S175 L205 W207 P220 L226 L229 I237L167-L171 VanDerWaalsContact O-CB 3.3Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 PolarHBondContact O-N 2.87Å; T168-L171 PolarHBondContact O-N 3.34Å; E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.78Å; L171-S175 PolarHBondContact O-N 2.67Å; L171-S175 VanDerWaalsContact O-N 3.1Å; L171-L205 HydrophobicContact CB-CD1 4.29Å; L171-L205 HydrophobicContact CD1-CD1 3.77Å; L171-W207 HydrophobicContact CB-CH2 4.12Å; L171-W207 HydrophobicContact CB-CZ2 4.23Å; L171-W207 HydrophobicContact CD2-CH2 3.7Å; L171-W207 HydrophobicContact CD2-CZ2 4.02Å; L171-W207 HydrophobicContact CG-CH2 4.33Å; L171-P220 HydrophobicContact CD2-CB 4.05Å; L171-P220 HydrophobicContact CD2-CG 4.12Å; L171-L226 HydrophobicContact CD2-CD2 3.47Å; L171-L226 VanDerWaalsContact CD2-CD2 3.47Å; L171-L226 HydrophobicContact CG-CD2 4.07Å; L171-L229 HydrophobicContact CD1-CD1 3.72Å; L171-L229 HydrophobicContact CD1-CD2 4.35Å; L171-L229 HydrophobicContact CG-CD1 4.25Å; L171-I237 HydrophobicContact CD1-CD1 4.34Å; L171-I237 HydrophobicContact CD2-CD1 4.38Å
172Y97.6Very high91.1Very high0 Ų019.9 Ų19.90%010%0.095CC..Hα-helixtrans-68.2-42.3176.6-65.4-16.2000111.7F114 I119 T168 E169 I170 L174 S175 V176 H217 P220 V221 S222 Y225 L226F114-Y172 HydrophobicContact CD1-CE2 4.42Å; I119-Y172 HydrophobicContact CD1-CD2 3.96Å; T168-Y172 HydrophobicContact CG2-CD2 4.2Å; T168-Y172 HydrophobicContact CG2-CE1 4.38Å; T168-Y172 HydrophobicContact CG2-CE2 3.64Å; T168-Y172 PolarHBondContact O-N 2.8Å; T168-Y172 VanDerWaalsContact O-N 3.08Å; E169-Y172 PolarHBondContact O-N 3.29Å; E169-Y172 VanDerWaalsContact O-N 3.09Å; I170-Y172 VanDerWaalsContact C-N 3.3Å; I170-Y172 PolarHBondContact O-N 2.85Å; Y172-L174 PolarHBondContact O-N 3.2Å; Y172-S175 WeakPolarHBondContact O-CB 3.21Å; Y172-S175 PolarHBondContact O-N 2.9Å; Y172-S175 VanDerWaalsContact O-N 3.13Å; Y172-S175 PolarHBondContact O-OG 3.21Å; Y172-V176 PolarHBondContact O-N 3.14Å; Y172-H217 AromaticContact CE2-ND1 3.9Å; Y172-H217 PolarHBondContact OH-ND1 2.87Å; Y172-P220 HydrophobicContact CE1-CB 4.07Å; Y172-P220 VanDerWaalsContact OH-CA 3.32Å; Y172-P220 WeakPolarHBondContact OH-CA 3.3Å; Y172-V221 PolarHBondContact OH-N 2.89Å; Y172-S222 PolarHBondContact OH-N 3.19Å; Y172-S222 VanDerWaalsContact OH-N 3.14Å; Y172-Y225 VanDerWaalsContact CD1-CB 3.4Å; Y172-Y225 AromaticContact CD1-CD2 3.95Å; Y172-Y225 HydrophobicContact CD1-CD2 3.95Å; Y172-Y225 AromaticContact CD1-CG 3.88Å; Y172-Y225 HydrophobicContact CD1-CG 3.88Å; Y172-Y225 AromaticContact CD2-CD2 3.79Å; Y172-Y225 HydrophobicContact CD2-CD2 3.79Å; Y172-Y225 HydrophobicContact CD2-CE2 4.23Å; Y172-Y225 HydrophobicContact CD2-CG 4.38Å; Y172-Y225 HydrophobicContact CE1-CD2 4.35Å; Y172-Y225 HydrophobicContact CE2-CD2 4.19Å; Y172-Y225 AromaticContact CG-CD2 3.64Å; Y172-Y225 HydrophobicContact CG-CD2 3.64Å; Y172-Y225 HydrophobicContact CG-CE2 4.38Å; Y172-Y225 AromaticContact CG-CG 3.77Å; Y172-Y225 HydrophobicContact CG-CG 3.77Å; Y172-L226 HydrophobicContact CE1-CD2 4.17Å; Y172-L226 HydrophobicContact CE1-CG 4.23Å
173E95.9Very high89.2Confident0 Ų022 Ų220%011%0.11CC..Hα-helixtrans-59.8-45.6173.2-70.1-176.6-172.200112.2I119 M122 T123 G124 L125 E169 I170 S175 V176 L177I119-E173 HydrophobicContact CG2-CG 4.2Å; M122-E173 WeakPolarHBondContact CA-OE2 3.48Å; M122-E173 HydrophobicContact SD-CB 3.68Å; M122-E173 HydrophobicContact SD-CG 4.15Å; T123-E173 PolarHBondContact N-OE1 2.99Å; G124-E173 WeakPolarHBondContact CA-OE1 3.47Å; G124-E173 PolarHBondContact N-OE1 3.29Å; G124-E173 PolarHBondContact N-OE2 2.6Å; L125-E173 WeakPolarHBondContact CB-OE2 3.43Å; L125-E173 HydrophobicContact CD1-CB 3.79Å; L125-E173 HydrophobicContact CG-CB 4.23Å; L125-E173 WeakPolarHBondContact CG-OE2 3.43Å; L125-E173 PolarHBondContact N-OE2 2.94Å; E169-E173 WeakPolarHBondContact O-CG 3.48Å; E169-E173 PolarHBondContact O-N 2.91Å; I170-E173 PolarHBondContact O-N 3.11Å; E173-S175 PolarHBondContact O-N 3.16Å; E173-V176 PolarHBondContact O-N 3.21Å; E173-V176 VanDerWaalsContact O-N 3.11Å; E173-L177 PolarHBondContact O-N 3Å
174L96Very high87Confident15 Ų1530.5 Ų30.58%0.07915%0.154CC..Hα-helixtrans-58.4-34.1175.3-73.2173.6000112.5L125 I170 Y172 L177 S178 I202 P235L125-L174 HydrophobicContact CD1-CD2 4.04Å; L125-L174 HydrophobicContact CD1-CG 4.31Å; I170-L174 HydrophobicContact CG2-CD1 3.98Å; I170-L174 HydrophobicContact CG2-CG 4.21Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 WeakPolarHBondContact O-CG 3.35Å; I170-L174 PolarHBondContact O-N 2.79Å; Y172-L174 PolarHBondContact O-N 3.2Å; L174-L177 PolarHBondContact O-N 3.23Å; L174-S178 PolarHBondContact O-N 3.09Å; L174-S178 PolarHBondContact O-OG 3.39Å; L174-I202 HydrophobicContact CD1-CG2 4.46Å; L174-P235 HydrophobicContact CD1-CG 3.79Å
175S94.4Very high84.8Confident0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-69.5-36.1177.8850000113L171 Y172 E173 S178 H179 Y225 L228L171-S175 PolarHBondContact O-N 2.67Å; L171-S175 VanDerWaalsContact O-N 3.1Å; Y172-S175 WeakPolarHBondContact O-CB 3.21Å; Y172-S175 PolarHBondContact O-N 2.9Å; Y172-S175 VanDerWaalsContact O-N 3.13Å; Y172-S175 PolarHBondContact O-OG 3.21Å; E173-S175 PolarHBondContact O-N 3.16Å; S175-S178 WeakPolarHBondContact CA-OG 3.36Å; S175-S178 PolarHBondContact O-N 3.08Å; S175-S178 PolarHBondContact O-OG 3.34Å; S175-H179 PolarHBondContact O-N 3.24Å; S175-H179 VanDerWaalsContact O-N 3.07Å; S175-Y225 WeakPolarHBondContact CB-O 2.89Å; S175-Y225 WeakPolarHBondContact OG-CA 3.31Å; S175-Y225 VanDerWaalsContact OG-CB 3.31Å; S175-Y225 WeakPolarHBondContact OG-CB 3.42Å; S175-Y225 WeakPolarHBondContact OG-CD1 3.06Å; S175-Y225 PolarHBondContact OG-O 2.98Å; S175-L228 VanDerWaalsContact O-CB 3.31Å; S175-L228 WeakPolarHBondContact O-CB 3.44Å
176V91.1Very high82.6Confident26 Ų2638.4 Ų38.416%0.15820%0.199CC..Hα-helixtrans-70.3-39.9174.2177.10000110I119 M122 Y172 E173 S178 H179 S180 Y225I119-V176 HydrophobicContact CG2-CG2 4.1Å; M122-V176 HydrophobicContact CE-CB 3.59Å; M122-V176 HydrophobicContact CE-CG1 3.42Å; M122-V176 VanDerWaalsContact CE-CG1 3.42Å; M122-V176 HydrophobicContact CE-CG2 4.44Å; Y172-V176 PolarHBondContact O-N 3.14Å; E173-V176 PolarHBondContact O-N 3.21Å; E173-V176 VanDerWaalsContact O-N 3.11Å; V176-S178 VanDerWaalsContact C-N 3.32Å; V176-S178 PolarHBondContact O-N 3.03Å; V176-H179 PolarHBondContact O-N 3.16Å; V176-S180 WeakPolarHBondContact O-CB 3.2Å; V176-S180 PolarHBondContact O-N 3.38Å; V176-S180 PolarHBondContact O-OG 3.16Å; V176-Y225 HydrophobicContact CG2-CD1 3.89Å; V176-Y225 HydrophobicContact CG2-CE1 3.76Å
177L89.7Confident80.5Confident4 Ų441.7 Ų41.72%0.02122%0.222CC..Hα-helixtrans-61.6-37172.5-70.3177.9000112.6M122 L125 E173 L174 S180 K181 V191 L196M122-L177 HydrophobicContact CG-CD2 4.15Å; M122-L177 HydrophobicContact CG-CG 4.45Å; M122-L177 HydrophobicContact SD-CD1 4.15Å; M122-L177 HydrophobicContact SD-CD2 3.93Å; M122-L177 HydrophobicContact SD-CG 3.66Å; L125-L177 HydrophobicContact CD1-CD1 3.52Å; E173-L177 PolarHBondContact O-N 3Å; L174-L177 PolarHBondContact O-N 3.23Å; L177-S180 WeakPolarHBondContact CA-OG 3.35Å; L177-S180 PolarHBondContact O-OG 2.62Å; L177-S180 VanDerWaalsContact O-OG 3.13Å; L177-K181 WeakPolarHBondContact O-CG 3.16Å; L177-K181 PolarHBondContact O-N 2.87Å; L177-V191 HydrophobicContact CD2-CG1 4.17Å; L177-V191 HydrophobicContact CD2-CG2 3.99Å; L177-L196 HydrophobicContact CD2-CD2 4.17Å
178S84.8Confident78.6Confident20 Ų2043.3 Ų43.314%0.1423%0.232CC..Hα-helixtrans-71.9-34.3176.8620000112.8L174 S175 V176 L228L174-S178 PolarHBondContact O-N 3.09Å; L174-S178 PolarHBondContact O-OG 3.39Å; S175-S178 WeakPolarHBondContact CA-OG 3.36Å; S175-S178 PolarHBondContact O-N 3.08Å; S175-S178 PolarHBondContact O-OG 3.34Å; V176-S178 VanDerWaalsContact C-N 3.32Å; V176-S178 PolarHBondContact O-N 3.03Å; S178-L228 PolarHBondContact OG-O 2.83Å
179H80.3Confident76.7Confident88 Ų8850.8 Ų50.841%0.40726%0.264SS..Hα-helixtrans-68.4-45.5176.7-171.869.4000112.4S175 V176 K181 K182 S183 L228S175-H179 PolarHBondContact O-N 3.24Å; S175-H179 VanDerWaalsContact O-N 3.07Å; V176-H179 PolarHBondContact O-N 3.16Å; H179-K181 PolarHBondContact O-N 3.06Å; H179-K182 WeakPolarHBondContact O-CA 3.31Å; H179-K182 WeakPolarHBondContact O-CB 3.5Å; H179-K182 PolarHBondContact O-N 3.07Å; H179-S183 PolarHBondContact O-N 3.21Å; H179-L228 HydrophobicContact CB-CB 4.18Å; H179-L228 HydrophobicContact CB-CD1 4.08Å; H179-L228 HydrophobicContact CB-CD2 4.23Å; H179-L228 HydrophobicContact CB-CG 4.39Å
180S69.3Low75.8Confident8 Ų857.7 Ų57.76%0.05630%0.301CS..Hα-helixtrans-71.9-15.4-178.359.60000113.5V176 L177 S183 V188V176-S180 WeakPolarHBondContact O-CB 3.2Å; V176-S180 PolarHBondContact O-N 3.38Å; V176-S180 PolarHBondContact O-OG 3.16Å; L177-S180 WeakPolarHBondContact CA-OG 3.35Å; L177-S180 PolarHBondContact O-OG 2.62Å; L177-S180 VanDerWaalsContact O-OG 3.13Å; S180-S183 CarbonylContact C-O 3.39Å; S180-V188 VanDerWaalsContact C-CG2 3.49Å; S180-V188 VanDerWaalsContact O-CG2 3.25Å; S180-V188 WeakPolarHBondContact O-CG2 3.43Å; S180-V188 WeakPolarHBondContact OG-CG2 3.43Å
181K66.7Low75.2Confident116 Ų11658.7 Ų58.750%0.50431%0.307SS..Hα-helixtrans-75.6-26.6163.8-73.3174.4-175.1177.40113.2L177 H179L177-K181 WeakPolarHBondContact O-CG 3.16Å; L177-K181 PolarHBondContact O-N 2.87Å; H179-K181 PolarHBondContact O-N 3.06Å
182K62.2Low74.8Confident134 Ų13460.9 Ų60.958%0.58332%0.321SS*.Hα-helixtrans-85.4-41.3177.7-67174.4179.3171.20111.7H179H179-K182 WeakPolarHBondContact O-CA 3.31Å; H179-K182 WeakPolarHBondContact O-CB 3.5Å; H179-K182 PolarHBondContact O-N 3.07Å
183S57.3Low74.5Confident46 Ų4664.1 Ų64.132%0.32235%0.348SS..SBendtrans-94.8113174.3-165.90000107.4H179 S180 T185H179-S183 PolarHBondContact O-N 3.21Å; S180-S183 CarbonylContact C-O 3.39Å; S183-T185 PolarHBondContact O-N 3.12Å; S183-T185 PolarHBondContact O-OG1 3.48Å; S183-T185 VanDerWaalsContact OG-CG2 3.23Å; S183-T185 WeakPolarHBondContact OG-CG2 3.29Å
184L53.2Low74.3Confident178 Ų17869.9 Ų69.993%0.93238%0.375SS*.  trans-63.229.4177.5-75.3156.3000113.6
185T51.8Low74.2Confident68 Ų6869.4 Ų69.442%0.41737%0.372SS..  trans-70.7147.6177.148.30000111.5S183 S187S183-T185 PolarHBondContact O-N 3.12Å; S183-T185 PolarHBondContact O-OG1 3.48Å; S183-T185 VanDerWaalsContact OG-CG2 3.23Å; S183-T185 WeakPolarHBondContact OG-CG2 3.29Å; T185-S187 PolarHBondContact O-N 3.09Å
186D53.1Low74.1Confident102 Ų10271.1 Ų71.155%0.54538%0.382SS..G310 helixtrans-60-12.8-172.5-69.7-41.5000115.5V188 K189D186-V188 VanDerWaalsContact C-N 3.26Å; D186-V188 PolarHBondContact O-N 3.16Å; D186-K189 HydrophobicContact CB-CD 4.37Å; D186-K189 VanDerWaalsContact O-CB 3.29Å; D186-K189 WeakPolarHBondContact O-CB 3.49Å; D186-K189 PolarHBondContact O-N 3.16Å; D186-K189 WeakPolarHBondContact OD1-CD 3.49Å; D186-K189 WeakPolarHBondContact OD1-CE 3.44Å; D186-K189 IonicContact OD1-NZ 2.65Å; D186-K189 PolarHBondContact OD1-NZ 2.93Å
187S55.1Low74.2Confident69 Ų6973.5 Ų73.548%0.48339%0.391SS..G310 helixtrans-62-25.4-176.154.50000114.8T185 K189T185-S187 PolarHBondContact O-N 3.09Å; S187-K189 VanDerWaalsContact C-N 3.34Å
188V57.7Low74.5Confident34 Ų3473.9 Ų73.921%0.20639%0.393CS..G310 helixtrans-74.6-25.9173-167.40000112S180 D186 D190 V191 L196S180-V188 VanDerWaalsContact C-CG2 3.49Å; S180-V188 VanDerWaalsContact O-CG2 3.25Å; S180-V188 WeakPolarHBondContact O-CG2 3.43Å; S180-V188 WeakPolarHBondContact OG-CG2 3.43Å; D186-V188 VanDerWaalsContact C-N 3.26Å; D186-V188 PolarHBondContact O-N 3.16Å; V188-D190 PolarHBondContact O-N 2.8Å; V188-D190 VanDerWaalsContact O-N 3.1Å; V188-V191 PolarHBondContact O-N 3.32Å; V188-L196 HydrophobicContact CG1-CD1 4.33Å; V188-L196 HydrophobicContact CG1-CD2 4.28Å
189K60.5Low75Confident158 Ų15873.6 Ų73.669%0.68739%0.391SS*.THydrogen-bonded Turntrans-62.8-25.2-170.3-68.3-176.8176.9168.40112.6D186 S187D186-K189 HydrophobicContact CB-CD 4.37Å; D186-K189 VanDerWaalsContact O-CB 3.29Å; D186-K189 WeakPolarHBondContact O-CB 3.49Å; D186-K189 PolarHBondContact O-N 3.16Å; D186-K189 WeakPolarHBondContact OD1-CD 3.49Å; D186-K189 WeakPolarHBondContact OD1-CE 3.44Å; D186-K189 IonicContact OD1-NZ 2.65Å; D186-K189 PolarHBondContact OD1-NZ 2.93Å; S187-K189 VanDerWaalsContact C-N 3.34Å
190D77.3Confident75.6Confident144 Ų14475.4 Ų75.477%0.7740%0.4SS*.THydrogen-bonded Turntrans-94.3-5.1-179.2-60.5-30.9000113.4V188 P192V188-D190 PolarHBondContact O-N 2.8Å; V188-D190 VanDerWaalsContact O-N 3.1Å; D190-P192 WeakPolarHBondContact O-CD 3.22Å
191V86.3Confident77Confident21 Ų2177.6 Ų77.613%0.12741%0.408CS..SBendtrans-81.4120.2178.7-176.20000109.6M122 L177 V188 V195 L196M122-V191 HydrophobicContact CG-CG2 4.22Å; L177-V191 HydrophobicContact CD2-CG1 4.17Å; L177-V191 HydrophobicContact CD2-CG2 3.99Å; V188-V191 PolarHBondContact O-N 3.32Å; V191-V195 HydrophobicContact CG1-CB 3.91Å; V191-V195 HydrophobicContact CG1-CG1 3.87Å; V191-L196 HydrophobicContact CB-CD2 4.33Å; V191-L196 HydrophobicContact CB-CG 4.45Å; V191-L196 HydrophobicContact CG1-CD2 3.9Å; V191-L196 HydrophobicContact CG1-CG 3.99Å
192P90.6Very high78.5Confident48 Ų4872.4 Ų72.431%0.31239%0.386SS..  trans-59145.6-179.1-24.834.5000113.1M126 D190 Q194 V195 L196M126-P192 HydrophobicContact CE-CG 4.04Å; D190-P192 WeakPolarHBondContact O-CD 3.22Å; P192-Q194 PolarHBondContact O-N 2.61Å; P192-Q194 VanDerWaalsContact O-N 3.17Å; P192-V195 HydrophobicContact CB-CG2 4.25Å; P192-V195 HydrophobicContact CG-CG2 4.37Å; P192-V195 WeakPolarHBondContact O-CB 3.23Å; P192-V195 PolarHBondContact O-N 3.35Å; P192-L196 PolarHBondContact O-N 3.22Å
193A91.2Very high80.2Confident68 Ų6868 Ų6856%0.56237%0.37SS*.Hα-helixtrans-56.2-36.1-178.400000113V195 L196 E197A193-V195 VanDerWaalsContact C-N 3.3Å; A193-V195 PolarHBondContact O-N 2.95Å; A193-L196 PolarHBondContact O-N 3.2Å; A193-E197 WeakPolarHBondContact O-CB 3.26Å; A193-E197 PolarHBondContact O-N 2.83Å
194Q91.8Very high82.2Confident121 Ų12165.8 Ų65.857%0.56536%0.355SS*.Hα-helixtrans-66-32.1178.7-6279.11200112.4P192 L198P192-Q194 PolarHBondContact O-N 2.61Å; P192-Q194 VanDerWaalsContact O-N 3.17Å; Q194-L198 WeakPolarHBondContact O-CB 3.3Å; Q194-L198 PolarHBondContact O-N 2.85Å
195V93.6Very high84.4Confident4 Ų457.3 Ų57.32%0.02431%0.311CS..Hα-helixtrans-72.2-42.3175.6178.90000109.9L125 M126 V191 P192 A193 E197 L198 S199L125-V195 HydrophobicContact CB-CG1 3.88Å; M126-V195 HydrophobicContact CG-CG2 4.12Å; V191-V195 HydrophobicContact CG1-CB 3.91Å; V191-V195 HydrophobicContact CG1-CG1 3.87Å; P192-V195 HydrophobicContact CB-CG2 4.25Å; P192-V195 HydrophobicContact CG-CG2 4.37Å; P192-V195 WeakPolarHBondContact O-CB 3.23Å; P192-V195 PolarHBondContact O-N 3.35Å; A193-V195 VanDerWaalsContact C-N 3.3Å; A193-V195 PolarHBondContact O-N 2.95Å; V195-E197 VanDerWaalsContact C-N 3.31Å; V195-E197 PolarHBondContact O-N 2.95Å; V195-L198 PolarHBondContact O-N 2.92Å; V195-S199 WeakPolarHBondContact O-CB 3.39Å; V195-S199 PolarHBondContact O-N 3.27Å
196L92.8Very high86.6Confident37 Ų3754.1 Ų54.119%0.19429%0.291CS..Hα-helixtrans-62.8-38.4174.5-65.1176.3000111.9L177 V188 V191 P192 A193 S199 Q200L177-L196 HydrophobicContact CD2-CD2 4.17Å; V188-L196 HydrophobicContact CG1-CD1 4.33Å; V188-L196 HydrophobicContact CG1-CD2 4.28Å; V191-L196 HydrophobicContact CB-CD2 4.33Å; V191-L196 HydrophobicContact CB-CG 4.45Å; V191-L196 HydrophobicContact CG1-CD2 3.9Å; V191-L196 HydrophobicContact CG1-CG 3.99Å; P192-L196 PolarHBondContact O-N 3.22Å; A193-L196 PolarHBondContact O-N 3.2Å; L196-S199 PolarHBondContact O-OG 3.47Å; L196-Q200 WeakPolarHBondContact O-CG 3.33Å; L196-Q200 PolarHBondContact O-N 3.08Å; L196-Q200 PolarHBondContact O-NE2 3.34Å; L196-Q200 VanDerWaalsContact O-NE2 3.13Å
197E93.4Very high88.8Confident75 Ų7549.2 Ų49.235%0.3527%0.265SS..Hα-helixtrans-65.3-53.4174.2-172.1-177.717300110.9S151 A193 V195 S199 Q200 F201S151-E197 WeakPolarHBondContact CB-OE1 3.43Å; A193-E197 WeakPolarHBondContact O-CB 3.26Å; A193-E197 PolarHBondContact O-N 2.83Å; V195-E197 VanDerWaalsContact C-N 3.31Å; V195-E197 PolarHBondContact O-N 2.95Å; E197-S199 PolarHBondContact O-N 2.93Å; E197-Q200 WeakPolarHBondContact O-CB 3.25Å; E197-Q200 PolarHBondContact O-N 3.34Å; E197-F201 HydrophobicContact CG-CD2 4.06Å; E197-F201 HydrophobicContact CG-CE2 3.73Å; E197-F201 WeakPolarHBondContact O-CD2 3.28Å; E197-F201 PolarHBondContact O-N 3.41Å
198L95.9Very high90.8Very high12 Ų1246 Ų466%0.06324%0.242CC..Hα-helixtrans-51.6-46.6177.1-175.183.7000111.2L125 L128 L132 I155 Q194 V195 Q200 F201 I202L125-L198 HydrophobicContact CD2-CD2 4.45Å; L128-L198 HydrophobicContact CB-CD2 4.29Å; L128-L198 HydrophobicContact CD2-CD2 4.07Å; L128-L198 HydrophobicContact CG-CD2 4.01Å; L132-L198 HydrophobicContact CD1-CD1 4.15Å; I155-L198 HydrophobicContact CD1-CD1 3.36Å; I155-L198 HydrophobicContact CD1-CG 4.27Å; Q194-L198 WeakPolarHBondContact O-CB 3.3Å; Q194-L198 PolarHBondContact O-N 2.85Å; V195-L198 PolarHBondContact O-N 2.92Å; L198-Q200 PolarHBondContact O-N 2.92Å; L198-F201 PolarHBondContact O-N 2.99Å; L198-I202 HydrophobicContact CG-CD1 4.46Å; L198-I202 PolarHBondContact O-N 2.84Å; L198-I202 VanDerWaalsContact O-N 3.17Å
199S94.9Very high92.7Very high14 Ų1444.3 Ų44.310%0.09823%0.232CC..Hα-helixtrans-58.8-29.7-17976.70000113.6V195 L196 E197 F201V195-S199 WeakPolarHBondContact O-CB 3.39Å; V195-S199 PolarHBondContact O-N 3.27Å; L196-S199 PolarHBondContact O-OG 3.47Å; E197-S199 PolarHBondContact O-N 2.93Å; S199-F201 VanDerWaalsContact C-N 3.34Å
200Q94.3Very high94.5Very high127 Ų12737 Ų3759%0.59320%0.2SC*.Hα-helixtrans-77-24.3178.9-69.1167.641.200112.4L196 E197 L198L196-Q200 WeakPolarHBondContact O-CG 3.33Å; L196-Q200 PolarHBondContact O-N 3.08Å; L196-Q200 PolarHBondContact O-NE2 3.34Å; L196-Q200 VanDerWaalsContact O-NE2 3.13Å; E197-Q200 WeakPolarHBondContact O-CB 3.25Å; E197-Q200 PolarHBondContact O-N 3.34Å; L198-Q200 PolarHBondContact O-N 2.92Å
201F97.2Very high95.3Very high54 Ų5430.3 Ų30.324%0.23717%0.166CC..Hα-helixtrans-96.5-7.2-180-67.5-68.6000113.3T152 I155 E197 L198 S199 T203T152-F201 VanDerWaalsContact C-CE1 3.49Å; T152-F201 VanDerWaalsContact CA-CE1 3.46Å; T152-F201 VanDerWaalsContact CA-CZ 3.42Å; I155-F201 HydrophobicContact CD1-CB 4.38Å; I155-F201 HydrophobicContact CG1-CB 4.33Å; I155-F201 PolarHBondContact N-O 3.23Å; E197-F201 HydrophobicContact CG-CD2 4.06Å; E197-F201 HydrophobicContact CG-CE2 3.73Å; E197-F201 WeakPolarHBondContact O-CD2 3.28Å; E197-F201 PolarHBondContact O-N 3.41Å; L198-F201 PolarHBondContact O-N 2.99Å; S199-F201 VanDerWaalsContact C-N 3.34Å; F201-T203 WeakPolarHBondContact O-CG2 3.29Å; F201-T203 PolarHBondContact O-N 3.12Å; F201-T203 VanDerWaalsContact O-N 3.08Å
202I98.3Very high95.7Very high6 Ų629.7 Ų29.73%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-71.4100.9167.3-63.3167.4000108.3L125 I155 L157 I170 L174 L198 L205 P235L125-I202 HydrophobicContact CD2-CD1 3.83Å; I155-I202 HydrophobicContact CB-CG1 4.4Å; I155-I202 HydrophobicContact CG2-CG1 4.45Å; I155-I202 CarbonylContact O-C 3.55Å; I155-I202 WeakPolarHBondContact O-CA 3.38Å; L157-I202 HydrophobicContact CD1-CD1 4.15Å; L157-I202 HydrophobicContact CD1-CG2 4.2Å; L157-I202 HydrophobicContact CG-CG2 4.15Å; I170-I202 HydrophobicContact CG2-CD1 4.47Å; L174-I202 HydrophobicContact CD1-CG2 4.46Å; L198-I202 HydrophobicContact CG-CD1 4.46Å; L198-I202 PolarHBondContact O-N 2.84Å; L198-I202 VanDerWaalsContact O-N 3.17Å; I202-L205 HydrophobicContact CG2-CD2 3.84Å; I202-L205 HydrophobicContact CG2-CG 4.44Å; I202-P235 HydrophobicContact CG2-CB 4.36Å; I202-P235 HydrophobicContact CG2-CG 3.99Å; I202-P235 WeakPolarHBondContact O-CG 3.45Å
203T98.2Very high95.8Very high42 Ų4230.7 Ų30.726%0.25817%0.169SC..EExtended strand (participates in β ladder)trans-98.7-24.8-17463.60000113.6P154 I155 F201 P235 R236P154-T203 HydrophobicContact CB-CG2 3.89Å; P154-T203 HydrophobicContact CG-CG2 4.46Å; I155-T203 PolarHBondContact O-N 3.43Å; F201-T203 WeakPolarHBondContact O-CG2 3.29Å; F201-T203 PolarHBondContact O-N 3.12Å; F201-T203 VanDerWaalsContact O-N 3.08Å; T203-P235 WeakPolarHBondContact O-CA 3.42Å; T203-R236 PolarHBondContact O-N 3.21Å
204D98.8Very high95.8Very high0 Ų027.7 Ų27.70%015%0.145CC..EExtended strand (participates in β ladder)trans-145.4143.8-174.1-62.874.5000111.2R156 L157 Y206 R236 H238R156-D204 WeakPolarHBondContact CA-O 3.46Å; R156-D204 HydrophobicContact CB-CB 4.14Å; R156-D204 HydrophobicContact CG-CB 3.89Å; R156-D204 IonicContact NE-OD1 2.59Å; L157-D204 PolarHBondContact N-O 3.28Å; D204-Y206 HydrophobicContact CB-CD2 4.23Å; D204-Y206 HydrophobicContact CB-CE2 3.5Å; D204-Y206 VanDerWaalsContact CB-CE2 3.5Å; D204-R236 CarbonylContact C-O 3.51Å; D204-R236 WeakPolarHBondContact CA-O 3.46Å; D204-R236 IonicContact OD1-CZ 3.11Å; D204-R236 IonicContact OD1-NE 2.82Å; D204-R236 IonicContact OD1-NH2 3.12Å; D204-R236 PolarHBondContact OD1-NH2 2.58Å; D204-R236 IonicContact OD2-CZ 3.69Å; D204-R236 IonicContact OD2-NE 3.7Å; D204-R236 PolarHBondContact OD2-NE 3.02Å; D204-R236 VanDerWaalsContact OD2-NE 3.11Å; D204-R236 IonicContact OD2-NH1 3.64Å; D204-R236 IonicContact OD2-NH2 3.71Å; D204-R236 PolarHBondContact OD2-NH2 2.94Å; D204-H238 IonicContact OD2-CD2 3.73Å; D204-H238 IonicContact OD2-CE1 3.2Å; D204-H238 IonicContact OD2-NE2 2.75Å; D204-H238 PolarHBondContact OD2-NE2 3.32Å
205L98.9Very high95.8Very high0 Ų026.1 Ų26.10%014%0.144CC..EExtended strand (participates in β ladder)trans-128.5120.6175.8-61.3172.8000108.7L157 L167 L171 I202 W207 P235 R236 H238L157-L205 HydrophobicContact CB-CD2 3.66Å; L157-L205 HydrophobicContact CD1-CD2 3.68Å; L157-L205 HydrophobicContact CG-CD2 3.82Å; L157-L205 CarbonylContact O-C 3.57Å; L157-L205 WeakPolarHBondContact O-CA 3.34Å; L167-L205 HydrophobicContact CG-CD2 4.5Å; L171-L205 HydrophobicContact CB-CD1 4.29Å; L171-L205 HydrophobicContact CD1-CD1 3.77Å; I202-L205 HydrophobicContact CG2-CD2 3.84Å; I202-L205 HydrophobicContact CG2-CG 4.44Å; L205-W207 HydrophobicContact CB-CE3 4.14Å; L205-W207 HydrophobicContact CB-CH2 3.73Å; L205-W207 HydrophobicContact CB-CZ3 3.32Å; L205-W207 HydrophobicContact CD1-CH2 3.71Å; L205-W207 HydrophobicContact CD1-CZ3 4.1Å; L205-W207 HydrophobicContact CG-CH2 4.32Å; L205-W207 HydrophobicContact CG-CZ3 4.34Å; L205-P235 HydrophobicContact CD1-CB 4.02Å; L205-P235 HydrophobicContact CD1-CG 4.14Å; L205-P235 HydrophobicContact CG-CB 3.91Å; L205-P235 HydrophobicContact CG-CG 4.37Å; L205-R236 PolarHBondContact N-O 3.38Å; L205-H238 PolarHBondContact O-N 3.41Å
206Y98.8Very high95.6Very high0 Ų032.2 Ų32.20%017%0.172CC..EExtended strand (participates in β ladder)trans-110.8106.6-179-63.5-103000110.1R156 L157 I158 G159 L167 D204 H238 F314R156-Y206 HydrophobicContact CB-CE2 4.09Å; R156-Y206 PolarHBondContact NH1-OH 2.87Å; L157-Y206 PolarHBondContact O-N 2.87Å; I158-Y206 HydrophobicContact CG1-CD2 4.06Å; I158-Y206 HydrophobicContact CG1-CG 4.41Å; G159-Y206 PolarHBondContact N-O 3.21Å; L167-Y206 WeakPolarHBondContact CD2-O 3.26Å; D204-Y206 HydrophobicContact CB-CD2 4.23Å; D204-Y206 HydrophobicContact CB-CE2 3.5Å; D204-Y206 VanDerWaalsContact CB-CE2 3.5Å; Y206-H238 WeakPolarHBondContact CA-O 3.29Å; Y206-H238 HydrophobicContact CD1-CB 3.36Å; Y206-H238 AromaticContact CD1-CD2 3.86Å; Y206-H238 AromaticContact CD1-CG 3.6Å; Y206-H238 HydrophobicContact CE1-CB 3.71Å; Y206-H238 AromaticContact CE1-CD2 3.52Å; Y206-H238 AromaticContact CE1-CE1 3.87Å; Y206-H238 AromaticContact CE1-CG 3.38Å; Y206-H238 AromaticContact CE1-ND1 3.66Å; Y206-H238 AromaticContact CE1-NE2 3.82Å; Y206-H238 AromaticContact CE2-CD2 3.81Å; Y206-H238 HydrophobicContact CG-CB 3.93Å; Y206-H238 AromaticContact CZ-CD2 3.49Å; Y206-H238 VanDerWaalsContact CZ-CD2 3.49Å; Y206-H238 AromaticContact CZ-CE1 3.9Å; Y206-H238 AromaticContact CZ-CG 3.86Å; Y206-H238 AromaticContact CZ-NE2 3.52Å; Y206-H238 PolarHBondContact OH-NE2 2.93Å; Y206-F314 HydrophobicContact CE1-CD1 4.07Å; Y206-F314 HydrophobicContact CE2-CD1 4.22Å; Y206-F314 AromaticContact CZ-CD1 3.81Å; Y206-F314 PolarHBondContact OH-OXT 3.39Å
207W98.8Very high95.7Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-83.7112.9166.5-76.8-102.3000108.9C164 L167 T168 L171 L205 W219 P220 I237 H238 H240C164-W207 PolarHBondContact O-NE1 2.95Å; L167-W207 HydrophobicContact CB-CD2 4.4Å; L167-W207 HydrophobicContact CB-CH2 4.38Å; L167-W207 HydrophobicContact CB-CZ2 3.72Å; L167-W207 HydrophobicContact CD2-CD2 4.25Å; L167-W207 HydrophobicContact CD2-CE3 4.48Å; T168-W207 PolarHBondContact OG1-NE1 2.82Å; L171-W207 HydrophobicContact CB-CH2 4.12Å; L171-W207 HydrophobicContact CB-CZ2 4.23Å; L171-W207 HydrophobicContact CD2-CH2 3.7Å; L171-W207 HydrophobicContact CD2-CZ2 4.02Å; L171-W207 HydrophobicContact CG-CH2 4.33Å; L205-W207 HydrophobicContact CB-CE3 4.14Å; L205-W207 HydrophobicContact CB-CH2 3.73Å; L205-W207 HydrophobicContact CB-CZ3 3.32Å; L205-W207 HydrophobicContact CD1-CH2 3.71Å; L205-W207 HydrophobicContact CD1-CZ3 4.1Å; L205-W207 HydrophobicContact CG-CH2 4.32Å; L205-W207 HydrophobicContact CG-CZ3 4.34Å; W207-W219 HydrophobicContact CB-CE3 4.15Å; W207-W219 HydrophobicContact CB-CH2 4.39Å; W207-W219 HydrophobicContact CB-CZ3 3.53Å; W207-W219 HydrophobicContact CG-CE3 4.38Å; W207-W219 HydrophobicContact CG-CZ3 4.22Å; W207-P220 HydrophobicContact CH2-CG 4.46Å; W207-P220 HydrophobicContact CZ2-CG 3.63Å; W207-I237 HydrophobicContact CE3-CG2 4.06Å; W207-I237 HydrophobicContact CZ3-CB 4.38Å; W207-I237 HydrophobicContact CZ3-CG1 4.17Å; W207-I237 HydrophobicContact CZ3-CG2 3.77Å; W207-H238 PolarHBondContact N-O 2.91Å; W207-H240 PolarHBondContact O-N 2.93Å
208L98.6Very high95.8Very high0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-107.6101.6178.2-50.5-178.9000109.5I158 G159 F160 S161 S210 H240 L309 I312I158-L208 HydrophobicContact CG2-CD1 3.39Å; I158-L208 HydrophobicContact CG2-CG 3.99Å; G159-L208 WeakPolarHBondContact O-CA 3.39Å; G159-L208 VanDerWaalsContact O-CB 3.29Å; G159-L208 WeakPolarHBondContact O-CB 3.47Å; G159-L208 WeakPolarHBondContact O-CG 3.5Å; G159-L208 PolarHBondContact O-N 2.9Å; F160-L208 CarbonylContact C-O 3.48Å; F160-L208 VanDerWaalsContact CA-O 3.31Å; F160-L208 WeakPolarHBondContact CA-O 3.38Å; F160-L208 HydrophobicContact CB-CB 4.25Å; F160-L208 HydrophobicContact CD2-CB 3.97Å; F160-L208 VanDerWaalsContact CD2-O 3.3Å; F160-L208 WeakPolarHBondContact CD2-O 3.48Å; S161-L208 PolarHBondContact N-O 2.97Å; L208-S210 PolarHBondContact O-N 2.91Å; L208-H240 HydrophobicContact CD2-CB 3.73Å; L208-L309 HydrophobicContact CD1-CD2 4Å; L208-I312 HydrophobicContact CD1-CD1 3.29Å; L208-I312 HydrophobicContact CD1-CG1 3.66Å; L208-I312 HydrophobicContact CD2-CG1 4.03Å; L208-I312 HydrophobicContact CD2-CG2 4.21Å; L208-I312 HydrophobicContact CG-CG1 4.49Å
209D97.5Very high95.9Very high0 Ų027.4 Ų27.40%015%0.148CC..SBendtrans52.454175.5-143.429.8000113.5F160 S161 H240 S242 Q245 H305 I308F160-D209 HydrophobicContact CE2-CB 4.38Å; S161-D209 WeakPolarHBondContact CA-O 3.44Å; D209-H240 WeakPolarHBondContact CA-O 3.15Å; D209-H240 PolarHBondContact N-O 3.22Å; D209-S242 VanDerWaalsContact CG-OG 3.23Å; D209-S242 PolarHBondContact OD1-N 3.2Å; D209-S242 PolarHBondContact OD1-OG 3.04Å; D209-S242 WeakPolarHBondContact OD2-CB 3.42Å; D209-S242 PolarHBondContact OD2-OG 3.24Å; D209-Q245 HydrophobicContact CB-CG 4.19Å; D209-Q245 WeakPolarHBondContact O-CG 3.42Å; D209-Q245 PolarHBondContact O-NE2 3.49Å; D209-Q245 WeakPolarHBondContact OD1-CB 3.25Å; D209-Q245 WeakPolarHBondContact OD1-CG 3.21Å; D209-H305 PolarHBondContact O-CE1 2.85Å; D209-H305 WeakPolarHBondContact OD2-CA 3.3Å; D209-H305 IonicContact OD2-CE1 3.84Å; D209-H305 IonicContact OD2-CG 2.75Å; D209-H305 IonicContact OD2-ND1 2.73Å; D209-H305 PolarHBondContact OD2-ND1 3.42Å; D209-I308 HydrophobicContact CB-CD1 3.78Å; D209-I308 HydrophobicContact CB-CG2 4.23Å
210S98.3Very high96.1Very high3 Ų326.8 Ų26.82%0.02114%0.144CC..  trans-56.1136.9-176.7-164.90000112.3C164 L208 Q218 Q245 N254C164-S210 WeakPolarHBondContact CB-OG 3.38Å; L208-S210 PolarHBondContact O-N 2.91Å; S210-Q218 VanDerWaalsContact CB-O 3.22Å; S210-Q218 WeakPolarHBondContact CB-O 3.41Å; S210-Q218 PolarHBondContact OG-O 3.24Å; S210-Q245 VanDerWaalsContact O-CD 3.3Å; S210-Q245 WeakPolarHBondContact O-CG 3.5Å; S210-N254 PolarHBondContact O-ND2 3.25Å; S210-N254 PolarHBondContact O-OD1 2.87Å
211G94Very high96.2Very high4 Ų421.3 Ų21.34%0.04112%0.119CC..  trans176.1153.9173.900000112.6S161S161-G211 CarbonylContact C-O 3.55Å
212H94.4Very high96.2Very high9 Ų919 Ų194%0.04211%0.11CC..  trans-150.4-176.2175.457.897.1000112.3P112 F114 K162 G214 H216 H217 Q218P112-H212 WeakPolarHBondContact CD-ND1 3.42Å; P112-H212 HydrophobicContact CG-CB 4.44Å; F114-H212 AromaticContact CE2-NE2 3.71Å; K162-H212 VanDerWaalsContact NZ-CB 3.26Å; H212-G214 VanDerWaalsContact ND1-CA 3.33Å; H212-G214 WeakPolarHBondContact ND1-CA 3.33Å; H212-G214 PolarHBondContact ND1-N 2.73Å; H212-G214 PolarHBondContact O-N 3.09Å; H212-H216 PolarHBondContact CE1-O 2.84Å; H212-H216 PolarHBondContact NE2-O 3.06Å; H212-H217 PolarHBondContact NE2-O 2.83Å; H212-Q218 PolarHBondContact CD2-NE2 3.08Å; H212-Q218 PolarHBondContact CE1-NE2 2.83Å; H212-Q218 PolarHBondContact ND1-NE2 2.85Å; H212-Q218 PolarHBondContact NE2-NE2 3.47Å; H212-Q218 PolarHBondContact O-OE1 3.28Å
213S91.6Very high96.1Very high68 Ų6822.9 Ų22.948%0.47613%0.13SC..SBendtrans-77.40.4176.947.80000114.4V111V111-S213 WeakPolarHBondContact CG2-OG 3.36Å
214G92.7Very high95.9Very high6 Ų626.6 Ų26.66%0.06215%0.148CC..SBendtrans-89-179.7-179.400000112.8H212 Q218 Q253H212-G214 VanDerWaalsContact ND1-CA 3.33Å; H212-G214 WeakPolarHBondContact ND1-CA 3.33Å; H212-G214 PolarHBondContact ND1-N 2.73Å; H212-G214 PolarHBondContact O-N 3.09Å; G214-Q218 PolarHBondContact O-NE2 3.29Å; G214-Q253 PolarHBondContact O-NE2 2.85Å
215T90.1Very high95.8Very high88 Ų8828.2 Ų28.254%0.5415%0.154SC..SBendtrans-110.3-11.6-17853.10000114.1
216H89.4Confident95.7Very high131 Ų13128.2 Ų28.261%0.60616%0.155SC*.SBendtrans-129.7158.1-177.7-57.5-65.8000110.1H212 Q218H212-H216 PolarHBondContact CE1-O 2.84Å; H212-H216 PolarHBondContact NE2-O 3.06Å; H216-Q218 PolarHBondContact O-N 2.85Å; H216-Q218 PolarHBondContact O-NE2 2.94Å
217H94.9Very high95.5Very high24 Ų2431.3 Ų31.311%0.11118%0.176CC..  trans53.438.4177.6-58.9-95.7000113.2F114 E115 Y172 H212 W219 D257F114-H217 HydrophobicContact CB-CB 4.28Å; F114-H217 HydrophobicContact CD1-CB 4.37Å; F114-H217 HydrophobicContact CD2-CB 3.28Å; F114-H217 AromaticContact CD2-CG 3.76Å; F114-H217 HydrophobicContact CE2-CB 3.46Å; F114-H217 VanDerWaalsContact CE2-CB 3.46Å; F114-H217 HydrophobicContact CG-CB 3.73Å; F114-H217 AromaticContact CG-CG 3.8Å; F114-H217 HydrophobicContact CZ-CB 4.11Å; E115-H217 IonicContact OE1-CE1 2.7Å; Y172-H217 AromaticContact CE2-ND1 3.9Å; Y172-H217 PolarHBondContact OH-ND1 2.87Å; H212-H217 PolarHBondContact NE2-O 2.83Å; H217-W219 CarbonylContact C-O 3.54Å; H217-W219 WeakPolarHBondContact CA-O 3.31Å; H217-W219 PolarHBondContact O-N 2.88Å; H217-D257 WeakPolarHBondContact CA-OD2 3.32Å; H217-D257 PolarHBondContact N-OD2 2.7Å
218Q96.4Very high95.4Very high0 Ų033.1 Ų33.10%019%0.186CC..SBendtrans-59.1-31.6166.5-58.6-51.3-6900110S210 H212 G214 H216 Q253 N254 D257S210-Q218 VanDerWaalsContact CB-O 3.22Å; S210-Q218 WeakPolarHBondContact CB-O 3.41Å; S210-Q218 PolarHBondContact OG-O 3.24Å; H212-Q218 PolarHBondContact CD2-NE2 3.08Å; H212-Q218 PolarHBondContact CE1-NE2 2.83Å; H212-Q218 PolarHBondContact ND1-NE2 2.85Å; H212-Q218 PolarHBondContact NE2-NE2 3.47Å; H212-Q218 PolarHBondContact O-OE1 3.28Å; G214-Q218 PolarHBondContact O-NE2 3.29Å; H216-Q218 PolarHBondContact O-N 2.85Å; H216-Q218 PolarHBondContact O-NE2 2.94Å; Q218-Q253 HydrophobicContact CG-CG 3.87Å; Q218-N254 HydrophobicContact CB-CB 4.12Å; Q218-N254 HydrophobicContact CG-CB 3.99Å; Q218-D257 HydrophobicContact CB-CB 4.1Å; Q218-D257 PolarHBondContact N-OD2 3.03Å
219W98.5Very high95.2Very high0 Ų033.7 Ų33.70%019%0.189CC..SBendtrans-130.2163.7167.2-61.182.2000109.5W207 H217 V221 V239 H240 A241 N254 D257 F258 F261W207-W219 HydrophobicContact CB-CE3 4.15Å; W207-W219 HydrophobicContact CB-CH2 4.39Å; W207-W219 HydrophobicContact CB-CZ3 3.53Å; W207-W219 HydrophobicContact CG-CE3 4.38Å; W207-W219 HydrophobicContact CG-CZ3 4.22Å; H217-W219 CarbonylContact C-O 3.54Å; H217-W219 WeakPolarHBondContact CA-O 3.31Å; H217-W219 PolarHBondContact O-N 2.88Å; W219-V221 PolarHBondContact O-N 3.22Å; W219-V221 VanDerWaalsContact O-N 3.07Å; W219-V239 HydrophobicContact CE3-CG1 3.84Å; W219-V239 HydrophobicContact CH2-CG1 3.94Å; W219-V239 HydrophobicContact CZ3-CB 4.47Å; W219-V239 HydrophobicContact CZ3-CG1 3.31Å; W219-H240 WeakPolarHBondContact CH2-O 3.45Å; W219-A241 HydrophobicContact CH2-CB 4.07Å; W219-A241 HydrophobicContact CZ2-CB 3.99Å; W219-N254 PolarHBondContact NE1-OD1 3.33Å; W219-D257 HydrophobicContact CB-CB 4.16Å; W219-F258 VanDerWaalsContact CD1-CA 3.49Å; W219-F258 VanDerWaalsContact CD1-N 3.34Å; W219-F258 HydrophobicContact CD2-CB 4.41Å; W219-F258 AromaticContact CD2-CD2 3.99Å; W219-F258 HydrophobicContact CD2-CD2 3.99Å; W219-F258 AromaticContact CE2-CD2 3.62Å; W219-F258 HydrophobicContact CE3-CD2 4.33Å; W219-F258 HydrophobicContact CG-CB 4.24Å; W219-F258 AromaticContact CH2-CD2 3.99Å; W219-F258 HydrophobicContact CH2-CD2 3.99Å; W219-F258 HydrophobicContact CH2-CE2 4.25Å; W219-F258 AromaticContact CZ2-CD2 3.64Å; W219-F258 HydrophobicContact CZ2-CD2 3.64Å; W219-F258 HydrophobicContact CZ2-CE2 4.26Å; W219-F258 HydrophobicContact CZ3-CD2 4.32Å; W219-F261 HydrophobicContact CB-CB 3.95Å; W219-F261 HydrophobicContact CB-CD1 4.09Å; W219-F261 HydrophobicContact CB-CG 4.29Å; W219-F261 HydrophobicContact CE3-CD1 4.01Å; W219-F261 HydrophobicContact CE3-CE1 4.35Å
220P98.2Very high95Very high0 Ų036.2 Ų36.20%020%0.202CC..  trans-62.8111.6175.9-18.729.4000111.7T168 L171 Y172 W207 L226 F261T168-P220 HydrophobicContact CG2-CB 4.17Å; T168-P220 HydrophobicContact CG2-CG 4.08Å; L171-P220 HydrophobicContact CD2-CB 4.05Å; L171-P220 HydrophobicContact CD2-CG 4.12Å; Y172-P220 HydrophobicContact CE1-CB 4.07Å; Y172-P220 VanDerWaalsContact OH-CA 3.32Å; Y172-P220 WeakPolarHBondContact OH-CA 3.3Å; W207-P220 HydrophobicContact CH2-CG 4.46Å; W207-P220 HydrophobicContact CZ2-CG 3.63Å; P220-L226 HydrophobicContact CB-CD1 4.34Å; P220-L226 HydrophobicContact CB-CD2 4.4Å; P220-F261 HydrophobicContact CB-CD2 4.02Å; P220-F261 HydrophobicContact CB-CE2 3.7Å; P220-F261 HydrophobicContact CB-CZ 3.99Å; P220-F261 HydrophobicContact CG-CD1 4.46Å; P220-F261 HydrophobicContact CG-CD2 4.42Å; P220-F261 HydrophobicContact CG-CE1 3.96Å; P220-F261 HydrophobicContact CG-CE2 3.92Å; P220-F261 HydrophobicContact CG-CZ 3.65Å; P220-F261 WeakPolarHBondContact O-CB 3.46Å; P220-F261 WeakPolarHBondContact O-CD2 3.37Å; P220-F261 VanDerWaalsContact O-CG 3.31Å; P220-F261 WeakPolarHBondContact O-CG 3.49Å
221V97.5Very high94.8Very high12 Ų1238.5 Ų38.57%0.07322%0.217CC..  trans-125.1-2-176-68.70000115Y172 W219 L223 D257 K260Y172-V221 PolarHBondContact OH-N 2.89Å; W219-V221 PolarHBondContact O-N 3.22Å; W219-V221 VanDerWaalsContact O-N 3.07Å; V221-L223 PolarHBondContact O-N 3Å; V221-D257 HydrophobicContact CG1-CB 3.83Å; V221-D257 WeakPolarHBondContact CG1-O 3.5Å; V221-K260 HydrophobicContact CB-CD 4.04Å; V221-K260 HydrophobicContact CB-CG 4.49Å; V221-K260 HydrophobicContact CG1-CB 4.21Å; V221-K260 HydrophobicContact CG1-CD 3.98Å; V221-K260 HydrophobicContact CG1-CG 4.13Å
222S97.2Very high94.8Very high6 Ų644.7 Ų44.74%0.04225%0.254CS..  trans-75.2105.8179.1-167.80000111.9E115 Y172 N224 Y225 L226E115-S222 WeakPolarHBondContact OE1-CB 3.41Å; E115-S222 PolarHBondContact OE1-OG 3.1Å; Y172-S222 PolarHBondContact OH-N 3.19Å; Y172-S222 VanDerWaalsContact OH-N 3.14Å; S222-N224 PolarHBondContact O-N 2.75Å; S222-Y225 PolarHBondContact O-N 3.42Å; S222-Y225 WeakPolarHBondContact OG-CD2 3.37Å; S222-L226 WeakPolarHBondContact O-CB 3.22Å; S222-L226 VanDerWaalsContact O-CG 3.3Å; S222-L226 WeakPolarHBondContact O-CG 3.38Å; S222-L226 PolarHBondContact O-N 3.3Å
223L96Very high94.7Very high87 Ų8748.5 Ų48.546%0.45528%0.281SS..Hα-helixtrans-62.7-28.4172.9-80.8172.8000112.5V221 Y225 S227 I264V221-L223 PolarHBondContact O-N 3Å; L223-Y225 PolarHBondContact O-N 3.01Å; L223-S227 WeakPolarHBondContact O-CB 3.18Å; L223-S227 PolarHBondContact O-N 3.04Å; L223-S227 PolarHBondContact O-OG 3.35Å; L223-I264 HydrophobicContact CD2-CB 4.33Å; L223-I264 HydrophobicContact CD2-CD1 3.98Å; L223-I264 HydrophobicContact CD2-CG1 3.75Å; L223-I264 HydrophobicContact CD2-CG2 3.69Å; L223-I264 HydrophobicContact CG-CD1 4.01Å; L223-I264 HydrophobicContact CG-CG1 4.24Å
224N94Very high94.9Very high120 Ų12046.1 Ų46.164%0.64227%0.265SS*.Hα-helixtrans-59.8-35.5178.5-68.6-19.2000112S222 L228S222-N224 PolarHBondContact O-N 2.75Å; N224-L228 WeakPolarHBondContact O-CD1 3.5Å; N224-L228 VanDerWaalsContact O-CG 3.29Å; N224-L228 WeakPolarHBondContact O-CG 3.4Å
225Y95.5Very high95.1Very high34 Ų3446.3 Ų46.313%0.13326%0.264CS..Hα-helixtrans-91.3-51.4176.2-66.8-62.2000111.5E115 I119 Y172 S175 V176 S222 L223 S227 L228E115-Y225 HydrophobicContact CG-CE2 4.18Å; I119-Y225 HydrophobicContact CD1-CE2 3.91Å; I119-Y225 HydrophobicContact CG2-CD1 4.29Å; I119-Y225 HydrophobicContact CG2-CE1 3.63Å; Y172-Y225 VanDerWaalsContact CD1-CB 3.4Å; Y172-Y225 AromaticContact CD1-CD2 3.95Å; Y172-Y225 HydrophobicContact CD1-CD2 3.95Å; Y172-Y225 AromaticContact CD1-CG 3.88Å; Y172-Y225 HydrophobicContact CD1-CG 3.88Å; Y172-Y225 AromaticContact CD2-CD2 3.79Å; Y172-Y225 HydrophobicContact CD2-CD2 3.79Å; Y172-Y225 HydrophobicContact CD2-CE2 4.23Å; Y172-Y225 HydrophobicContact CD2-CG 4.38Å; Y172-Y225 HydrophobicContact CE1-CD2 4.35Å; Y172-Y225 HydrophobicContact CE2-CD2 4.19Å; Y172-Y225 AromaticContact CG-CD2 3.64Å; Y172-Y225 HydrophobicContact CG-CD2 3.64Å; Y172-Y225 HydrophobicContact CG-CE2 4.38Å; Y172-Y225 AromaticContact CG-CG 3.77Å; Y172-Y225 HydrophobicContact CG-CG 3.77Å; S175-Y225 WeakPolarHBondContact CB-O 2.89Å; S175-Y225 WeakPolarHBondContact OG-CA 3.31Å; S175-Y225 VanDerWaalsContact OG-CB 3.31Å; S175-Y225 WeakPolarHBondContact OG-CB 3.42Å; S175-Y225 WeakPolarHBondContact OG-CD1 3.06Å; S175-Y225 PolarHBondContact OG-O 2.98Å; V176-Y225 HydrophobicContact CG2-CD1 3.89Å; V176-Y225 HydrophobicContact CG2-CE1 3.76Å; S222-Y225 PolarHBondContact O-N 3.42Å; S222-Y225 WeakPolarHBondContact OG-CD2 3.37Å; L223-Y225 PolarHBondContact O-N 3.01Å; Y225-S227 VanDerWaalsContact C-N 3.25Å; Y225-S227 PolarHBondContact O-N 2.93Å; Y225-S227 VanDerWaalsContact O-N 3.15Å; Y225-L228 VanDerWaalsContact O-CB 3.3Å; Y225-L228 WeakPolarHBondContact O-CB 3.27Å; Y225-L228 PolarHBondContact O-N 3.01Å
226L97.3Very high95.5Very high1 Ų147.1 Ų47.11%0.00526%0.258CS..Hα-helixtrans-61.5-32.3-172.3-64.2176.3000113.2L171 Y172 P220 S222 L228 L229 F261 I264 L268L171-L226 HydrophobicContact CD2-CD2 3.47Å; L171-L226 VanDerWaalsContact CD2-CD2 3.47Å; L171-L226 HydrophobicContact CG-CD2 4.07Å; Y172-L226 HydrophobicContact CE1-CD2 4.17Å; Y172-L226 HydrophobicContact CE1-CG 4.23Å; P220-L226 HydrophobicContact CB-CD1 4.34Å; P220-L226 HydrophobicContact CB-CD2 4.4Å; S222-L226 WeakPolarHBondContact O-CB 3.22Å; S222-L226 VanDerWaalsContact O-CG 3.3Å; S222-L226 WeakPolarHBondContact O-CG 3.38Å; S222-L226 PolarHBondContact O-N 3.3Å; L226-L228 PolarHBondContact O-N 3.37Å; L226-L229 HydrophobicContact CD2-CD1 3.93Å; L226-L229 WeakPolarHBondContact O-CB 3.23Å; L226-L229 PolarHBondContact O-N 3.4Å; L226-F261 HydrophobicContact CD1-CD2 4.15Å; L226-F261 HydrophobicContact CD1-CE2 4.18Å; L226-I264 HydrophobicContact CB-CG2 3.97Å; L226-I264 HydrophobicContact CD1-CB 4.42Å; L226-I264 HydrophobicContact CD1-CD1 4.3Å; L226-I264 HydrophobicContact CD1-CG2 3.64Å; L226-I264 HydrophobicContact CG-CG2 4.46Å; L226-L268 HydrophobicContact CB-CD1 4.03Å; L226-L268 WeakPolarHBondContact O-CD1 3.47Å
227S96Very high96Very high64 Ų6441 Ų4145%0.44823%0.229SC..THydrogen-bonded Turntrans-68.7-14.8176.365.20000114.5L223 Y225L223-S227 WeakPolarHBondContact O-CB 3.18Å; L223-S227 PolarHBondContact O-N 3.04Å; L223-S227 PolarHBondContact O-OG 3.35Å; Y225-S227 VanDerWaalsContact C-N 3.25Å; Y225-S227 PolarHBondContact O-N 2.93Å; Y225-S227 VanDerWaalsContact O-N 3.15Å
228L95Very high96.2Very high39 Ų3940.1 Ų40.120%0.20423%0.225CC..THydrogen-bonded Turntrans-83-19.4178.5-53.8178.8000112.8S175 S178 H179 N224 Y225 L226S175-L228 VanDerWaalsContact O-CB 3.31Å; S175-L228 WeakPolarHBondContact O-CB 3.44Å; S178-L228 PolarHBondContact OG-O 2.83Å; H179-L228 HydrophobicContact CB-CB 4.18Å; H179-L228 HydrophobicContact CB-CD1 4.08Å; H179-L228 HydrophobicContact CB-CD2 4.23Å; H179-L228 HydrophobicContact CB-CG 4.39Å; N224-L228 WeakPolarHBondContact O-CD1 3.5Å; N224-L228 VanDerWaalsContact O-CG 3.29Å; N224-L228 WeakPolarHBondContact O-CG 3.4Å; Y225-L228 VanDerWaalsContact O-CB 3.3Å; Y225-L228 WeakPolarHBondContact O-CB 3.27Å; Y225-L228 PolarHBondContact O-N 3.01Å; L226-L228 PolarHBondContact O-N 3.37Å
229L95.7Very high96.3Very high11 Ų1140.1 Ų40.16%0.05823%0.225CC..SBendtrans-64.7143.9179.1-67169.4000110.6L171 L226 C234 L270L171-L229 HydrophobicContact CD1-CD1 3.72Å; L171-L229 HydrophobicContact CD1-CD2 4.35Å; L171-L229 HydrophobicContact CG-CD1 4.25Å; L226-L229 HydrophobicContact CD2-CD1 3.93Å; L226-L229 WeakPolarHBondContact O-CB 3.23Å; L226-L229 PolarHBondContact O-N 3.4Å; L229-C234 HydrophobicContact CB-CB 4.26Å; L229-C234 HydrophobicContact CD2-CB 4.11Å; L229-L270 HydrophobicContact CB-CD1 4.42Å; L229-L270 HydrophobicContact CB-CD2 3.74Å; L229-L270 HydrophobicContact CD1-CD1 3.93Å
230N93Very high96.3Very high54 Ų5440.3 Ų40.329%0.28923%0.226SC..  trans-96.6117.1172.5-179.8-12.8000109.2V232 S233 C234N230-V232 PolarHBondContact O-N 3.17Å; N230-V232 PolarHBondContact OD1-N 3.08Å; N230-S233 WeakPolarHBondContact CB-OG 3.25Å; N230-S233 PolarHBondContact O-N 3.26Å; N230-C234 WeakPolarHBondContact O-CB 3.28Å; N230-C234 PolarHBondContact O-N 2.95Å; N230-C234 PolarHBondContact O-SG 3.41Å; N230-C234 VanDerWaalsContact O-SG 3.36Å
231P94.5Very high96.2Very high50 Ų5040.3 Ų40.333%0.32523%0.226SC..THydrogen-bonded Turntrans-50.2-29.8179.5-32.738.3000115.8L268 N269 L270P231-L268 WeakPolarHBondContact CG-O 3.32Å; P231-N269 WeakPolarHBondContact CB-O 3.39Å; P231-L270 HydrophobicContact CG-CD2 4.15Å
232V92.3Very high96.1Very high135 Ų13539.8 Ų39.882%0.81822%0.223SC*.THydrogen-bonded Turntrans-84-27.3-175.7-1790000112.4N230N230-V232 PolarHBondContact O-N 3.17Å; N230-V232 PolarHBondContact OD1-N 3.08Å
233S92.3Very high95.9Very high89 Ų8939.5 Ų39.562%0.62222%0.221SC*.THydrogen-bonded Turntrans-123.2-5.4-170.171.80000114.5N230N230-S233 WeakPolarHBondContact CB-OG 3.25Å; N230-S233 PolarHBondContact O-N 3.26Å
234C96.2Very high95.8Very high18 Ų1837.6 Ų37.612%0.12221%0.208CC..SBendtrans-75.1159.1174.969.60000111.1L229 N230 P271L229-C234 HydrophobicContact CB-CB 4.26Å; L229-C234 HydrophobicContact CD2-CB 4.11Å; N230-C234 WeakPolarHBondContact O-CB 3.28Å; N230-C234 PolarHBondContact O-N 2.95Å; N230-C234 PolarHBondContact O-SG 3.41Å; N230-C234 VanDerWaalsContact O-SG 3.36Å; C234-P271 WeakPolarHBondContact SG-CD 3.27Å
235P98.3Very high95.9Very high9 Ų932.1 Ų32.16%0.05818%0.179CC..PPolyproline II helixtrans-58.8151.3173.6-20.631.3000112L174 I202 T203 L205L174-P235 HydrophobicContact CD1-CG 3.79Å; I202-P235 HydrophobicContact CG2-CB 4.36Å; I202-P235 HydrophobicContact CG2-CG 3.99Å; I202-P235 WeakPolarHBondContact O-CG 3.45Å; T203-P235 WeakPolarHBondContact O-CA 3.42Å; L205-P235 HydrophobicContact CD1-CB 4.02Å; L205-P235 HydrophobicContact CD1-CG 4.14Å; L205-P235 HydrophobicContact CG-CB 3.91Å; L205-P235 HydrophobicContact CG-CG 4.37Å
236R98.5Very high95.8Very high106 Ų10630.8 Ų30.840%0.417%0.174SC..EExtended strand (participates in β ladder)trans-71.4131170.8-67.1-179.7-68.9149.5-0.5110T203 D204 L205 P271T203-R236 PolarHBondContact O-N 3.21Å; D204-R236 CarbonylContact C-O 3.51Å; D204-R236 WeakPolarHBondContact CA-O 3.46Å; D204-R236 IonicContact OD1-CZ 3.11Å; D204-R236 IonicContact OD1-NE 2.82Å; D204-R236 IonicContact OD1-NH2 3.12Å; D204-R236 PolarHBondContact OD1-NH2 2.58Å; D204-R236 IonicContact OD2-CZ 3.69Å; D204-R236 IonicContact OD2-NE 3.7Å; D204-R236 PolarHBondContact OD2-NE 3.02Å; D204-R236 VanDerWaalsContact OD2-NE 3.11Å; D204-R236 IonicContact OD2-NH1 3.64Å; D204-R236 IonicContact OD2-NH2 3.71Å; D204-R236 PolarHBondContact OD2-NH2 2.94Å; L205-R236 PolarHBondContact N-O 3.38Å; R236-P271 HydrophobicContact CG-CB 4.4Å
237I98.8Very high95.6Very high1 Ų132.3 Ų32.31%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-101.2120-174.6-66.8171000109.4L171 W207 V239 F261 L265 P271 F272 K273L171-I237 HydrophobicContact CD1-CD1 4.34Å; L171-I237 HydrophobicContact CD2-CD1 4.38Å; W207-I237 HydrophobicContact CE3-CG2 4.06Å; W207-I237 HydrophobicContact CZ3-CB 4.38Å; W207-I237 HydrophobicContact CZ3-CG1 4.17Å; W207-I237 HydrophobicContact CZ3-CG2 3.77Å; I237-V239 HydrophobicContact CG2-CG2 3.74Å; I237-F261 HydrophobicContact CG2-CE1 4.13Å; I237-F261 HydrophobicContact CG2-CZ 3.78Å; I237-L265 HydrophobicContact CD1-CD2 3.48Å; I237-L265 VanDerWaalsContact CD1-CD2 3.48Å; I237-L265 HydrophobicContact CG2-CD1 3.95Å; I237-L265 HydrophobicContact CG2-CD2 4.32Å; I237-P271 PolarHBondContact N-O 3.49Å; I237-F272 HydrophobicContact CB-CB 4Å; I237-F272 HydrophobicContact CG2-CB 4.2Å; I237-F272 CarbonylContact O-C 3.58Å; I237-F272 WeakPolarHBondContact O-CA 3.28Å; I237-F272 WeakPolarHBondContact O-CB 3.47Å; I237-K273 PolarHBondContact O-N 3.41Å
238H98.7Very high95.2Very high7 Ų730.6 Ų30.63%0.03217%0.167CC..EExtended strand (participates in β ladder)trans-112.4120.2177.6-56.1-100.4000109D204 L205 Y206 W207D204-H238 IonicContact OD2-CD2 3.73Å; D204-H238 IonicContact OD2-CE1 3.2Å; D204-H238 IonicContact OD2-NE2 2.75Å; D204-H238 PolarHBondContact OD2-NE2 3.32Å; L205-H238 PolarHBondContact O-N 3.41Å; Y206-H238 WeakPolarHBondContact CA-O 3.29Å; Y206-H238 HydrophobicContact CD1-CB 3.36Å; Y206-H238 AromaticContact CD1-CD2 3.86Å; Y206-H238 AromaticContact CD1-CG 3.6Å; Y206-H238 HydrophobicContact CE1-CB 3.71Å; Y206-H238 AromaticContact CE1-CD2 3.52Å; Y206-H238 AromaticContact CE1-CE1 3.87Å; Y206-H238 AromaticContact CE1-CG 3.38Å; Y206-H238 AromaticContact CE1-ND1 3.66Å; Y206-H238 AromaticContact CE1-NE2 3.82Å; Y206-H238 AromaticContact CE2-CD2 3.81Å; Y206-H238 HydrophobicContact CG-CB 3.93Å; Y206-H238 AromaticContact CZ-CD2 3.49Å; Y206-H238 VanDerWaalsContact CZ-CD2 3.49Å; Y206-H238 AromaticContact CZ-CE1 3.9Å; Y206-H238 AromaticContact CZ-CG 3.86Å; Y206-H238 AromaticContact CZ-NE2 3.52Å; Y206-H238 PolarHBondContact OH-NE2 2.93Å; W207-H238 PolarHBondContact N-O 2.91Å
239V98.6Very high94.9Very high0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-114.3102.4-171.4-1690000108.4W219 I237 F258 F261 L262 L265 K273 K274 Q275W219-V239 HydrophobicContact CE3-CG1 3.84Å; W219-V239 HydrophobicContact CH2-CG1 3.94Å; W219-V239 HydrophobicContact CZ3-CB 4.47Å; W219-V239 HydrophobicContact CZ3-CG1 3.31Å; I237-V239 HydrophobicContact CG2-CG2 3.74Å; V239-F258 HydrophobicContact CG1-CD2 4.09Å; V239-F258 HydrophobicContact CG1-CE2 3.57Å; V239-F261 HydrophobicContact CG1-CD1 4.49Å; V239-F261 HydrophobicContact CG2-CD1 4.34Å; V239-F261 HydrophobicContact CG2-CE1 3.87Å; V239-L262 HydrophobicContact CB-CD2 4.39Å; V239-L262 HydrophobicContact CG1-CD2 4.25Å; V239-L262 HydrophobicContact CG2-CD2 4.35Å; V239-L265 HydrophobicContact CG2-CD1 4.11Å; V239-K273 PolarHBondContact N-O 3.2Å; V239-K274 CarbonylContact O-C 3.59Å; V239-K274 WeakPolarHBondContact O-CA 3.5Å; V239-Q275 PolarHBondContact O-N 3.37Å
240H98.2Very high94.5Very high4 Ų441.8 Ų41.82%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-109.1123179.7-67.4-121000109.1W207 L208 D209 W219 Q275 H277 I308W207-H240 PolarHBondContact O-N 2.93Å; L208-H240 HydrophobicContact CD2-CB 3.73Å; D209-H240 WeakPolarHBondContact CA-O 3.15Å; D209-H240 PolarHBondContact N-O 3.22Å; W219-H240 WeakPolarHBondContact CH2-O 3.45Å; H240-Q275 VanDerWaalsContact CA-O 3.29Å; H240-Q275 WeakPolarHBondContact CA-O 3.46Å; H240-Q275 PolarHBondContact CE1-OE1 2.98Å; H240-H277 AromaticContact CG-NE2 3.65Å; H240-H277 AromaticContact ND1-CE1 3.61Å; H240-H277 AromaticContact ND1-NE2 3.04Å; H240-H277 PolarHBondContact ND1-NE2 2.83Å; H240-I308 HydrophobicContact CB-CD1 3.85Å
241A96.8Very high94.4Very high0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-134.1148.6179.500000111.9W219 I246 F258 Q275 L276 H277W219-A241 HydrophobicContact CH2-CB 4.07Å; W219-A241 HydrophobicContact CZ2-CB 3.99Å; A241-I246 HydrophobicContact CB-CD1 4.12Å; A241-I246 HydrophobicContact CB-CG2 3.93Å; A241-F258 HydrophobicContact CB-CD2 4.04Å; A241-F258 HydrophobicContact CB-CE2 3.53Å; A241-F258 HydrophobicContact CB-CZ 4.03Å; A241-Q275 PolarHBondContact N-O 2.96Å; A241-L276 HydrophobicContact CB-CD2 3.93Å; A241-L276 WeakPolarHBondContact O-CA 3.45Å; A241-H277 PolarHBondContact O-N 3.35Å
242S95.2Very high94.2Very high0 Ų043.2 Ų43.20%023%0.228CC..  trans-115.4162.5173.487.10000110.3D209 Y244 Q245 I246D209-S242 VanDerWaalsContact CG-OG 3.23Å; D209-S242 PolarHBondContact OD1-N 3.2Å; D209-S242 PolarHBondContact OD1-OG 3.04Å; D209-S242 WeakPolarHBondContact OD2-CB 3.42Å; D209-S242 PolarHBondContact OD2-OG 3.24Å; S242-Y244 PolarHBondContact O-N 3.37Å; S242-Y244 VanDerWaalsContact O-N 3.17Å; S242-Y244 WeakPolarHBondContact OG-CB 3.4Å; S242-Y244 PolarHBondContact OG-N 2.94Å; S242-Q245 PolarHBondContact O-N 3.27Å; S242-Q245 VanDerWaalsContact O-N 3.17Å; S242-I246 PolarHBondContact O-N 3.07Å
243P93.1Very high94.3Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-54.7-30.1173-26.229.6000114.1Q245 I246 M247 N248 H277 M279 I299 C300P243-Q245 PolarHBondContact O-N 2.83Å; P243-I246 PolarHBondContact O-N 3.48Å; P243-M247 HydrophobicContact CB-CB 4.09Å; P243-M247 HydrophobicContact CB-CG 4.07Å; P243-M247 HydrophobicContact CB-SD 3.74Å; P243-M247 HydrophobicContact CG-SD 4.11Å; P243-M247 WeakPolarHBondContact O-CA 3.11Å; P243-M247 WeakPolarHBondContact O-CB 3.23Å; P243-M247 PolarHBondContact O-N 3.3Å; P243-N248 PolarHBondContact O-N 2.78Å; P243-H277 WeakPolarHBondContact CD-O 3.3Å; P243-M279 HydrophobicContact CB-SD 4.5Å; P243-M279 HydrophobicContact CG-CE 4.04Å; P243-M279 HydrophobicContact CG-SD 3.76Å; P243-I299 HydrophobicContact CB-CG2 3.28Å; P243-I299 HydrophobicContact CG-CG2 3.52Å; P243-C300 PolarHBondContact O-SG 3.37Å; P243-C300 VanDerWaalsContact O-SG 3.42Å
244Y94.7Very high94.4Very high48 Ų4834.8 Ų34.819%0.18817%0.17CC..Hα-helixtrans-53-39.6177.9176-97.5000112.3S242 N248 C300 S301 L302 H305S242-Y244 PolarHBondContact O-N 3.37Å; S242-Y244 VanDerWaalsContact O-N 3.17Å; S242-Y244 WeakPolarHBondContact OG-CB 3.4Å; S242-Y244 PolarHBondContact OG-N 2.94Å; Y244-N248 VanDerWaalsContact O-CB 3.27Å; Y244-N248 WeakPolarHBondContact O-CB 3.4Å; Y244-C300 VanDerWaalsContact CD2-O 3.3Å; Y244-C300 WeakPolarHBondContact CD2-O 3.24Å; Y244-S301 WeakPolarHBondContact CD2-O 3.46Å; Y244-L302 HydrophobicContact CE1-CD1 4.31Å; Y244-L302 HydrophobicContact CE2-CB 4.21Å; Y244-L302 HydrophobicContact CE2-CD1 4.14Å; Y244-H305 HydrophobicContact CD1-CB 3.58Å; Y244-H305 AromaticContact CD1-CG 3.57Å; Y244-H305 AromaticContact CD1-ND1 3.57Å; Y244-H305 HydrophobicContact CD2-CB 4.31Å; Y244-H305 HydrophobicContact CE1-CB 4.12Å; Y244-H305 AromaticContact CE1-CG 3.84Å; Y244-H305 AromaticContact CE1-ND1 3.98Å; Y244-H305 HydrophobicContact CG-CB 3.7Å
245Q94.6Very high94.3Very high5 Ų535.3 Ų35.32%0.02317%0.174CC..Hα-helixtrans-90.1-45.1178.4-66-63.312.500112.6D209 S210 S242 P243 N254 H305D209-Q245 HydrophobicContact CB-CG 4.19Å; D209-Q245 WeakPolarHBondContact O-CG 3.42Å; D209-Q245 PolarHBondContact O-NE2 3.49Å; D209-Q245 WeakPolarHBondContact OD1-CB 3.25Å; D209-Q245 WeakPolarHBondContact OD1-CG 3.21Å; S210-Q245 VanDerWaalsContact O-CD 3.3Å; S210-Q245 WeakPolarHBondContact O-CG 3.5Å; S242-Q245 PolarHBondContact O-N 3.27Å; S242-Q245 VanDerWaalsContact O-N 3.17Å; P243-Q245 PolarHBondContact O-N 2.83Å; Q245-N254 WeakPolarHBondContact CB-ND2 3.27Å; Q245-N254 VanDerWaalsContact O-CB 3.32Å; Q245-N254 WeakPolarHBondContact O-CB 3.28Å; Q245-N254 PolarHBondContact OE1-ND2 3.01Å; Q245-H305 PolarHBondContact NE2-CE1 3.02Å
246I94.3Very high94.2Very high6 Ų639 Ų393%0.03120%0.196CC..Hα-helixtrans-101.8-8.1-166.275174.2000115.1A241 S242 P243 S255 F258 L276 M279A241-I246 HydrophobicContact CB-CD1 4.12Å; A241-I246 HydrophobicContact CB-CG2 3.93Å; S242-I246 PolarHBondContact O-N 3.07Å; P243-I246 PolarHBondContact O-N 3.48Å; I246-S255 WeakPolarHBondContact O-CB 3.44Å; I246-S255 PolarHBondContact O-OG 3.34Å; I246-F258 HydrophobicContact CD1-CD1 4.03Å; I246-F258 HydrophobicContact CD1-CE1 3.83Å; I246-F258 HydrophobicContact CD1-CZ 4.24Å; I246-F258 HydrophobicContact CG2-CB 3.92Å; I246-F258 HydrophobicContact CG2-CD1 4.19Å; I246-F258 HydrophobicContact CG2-CD2 4.14Å; I246-F258 HydrophobicContact CG2-CG 3.83Å; I246-L276 HydrophobicContact CD1-CD2 3.68Å; I246-M279 HydrophobicContact CD1-CE 3.28Å; I246-M279 HydrophobicContact CG1-CE 3.45Å; I246-M279 VanDerWaalsContact CG1-CE 3.45Å
247M92Very high94.2Very high32 Ų3234.7 Ų34.716%0.15818%0.181CC..THydrogen-bonded Turntrans-112.6-0.3174.1-62.2-175.975.500113P243 Q249 M279 P280 I299P243-M247 HydrophobicContact CB-CB 4.09Å; P243-M247 HydrophobicContact CB-CG 4.07Å; P243-M247 HydrophobicContact CB-SD 3.74Å; P243-M247 HydrophobicContact CG-SD 4.11Å; P243-M247 WeakPolarHBondContact O-CA 3.11Å; P243-M247 WeakPolarHBondContact O-CB 3.23Å; P243-M247 PolarHBondContact O-N 3.3Å; M247-Q249 PolarHBondContact O-N 2.9Å; M247-M279 HydrophobicContact CG-SD 4.34Å; M247-M279 HydrophobicContact SD-SD 3.69Å; M247-M279 VanDerWaalsContact SD-SD 3.69Å; M247-P280 HydrophobicContact CE-CG 4.39Å; M247-P280 HydrophobicContact SD-CG 4.46Å; M247-I299 HydrophobicContact SD-CG2 4.46Å
248N89.4Confident94.2Very high29 Ų2934.7 Ų34.716%0.15518%0.181CC..  trans-71.5104.6178.6-174.9-12.1000111.1P243 Y244 L250 K251P243-N248 PolarHBondContact O-N 2.78Å; Y244-N248 VanDerWaalsContact O-CB 3.27Å; Y244-N248 WeakPolarHBondContact O-CB 3.4Å; N248-L250 PolarHBondContact O-N 3.42Å; N248-L250 VanDerWaalsContact O-N 3.11Å; N248-L250 VanDerWaalsContact OD1-CB 3.29Å; N248-L250 WeakPolarHBondContact OD1-CB 3.43Å; N248-L250 PolarHBondContact OD1-N 2.74Å; N248-K251 CarbonylContact O-C 3.31Å; N248-K251 VanDerWaalsContact O-C 3.31Å; N248-K251 PolarHBondContact O-N 3.18Å
249Q87.7Confident94.1Very high128 Ų12838.8 Ų38.860%0.59820%0.197SC*.THydrogen-bonded Turntrans-63.3-17.2-179.3-63.4-172.6-23.600113.8M247 K251M247-Q249 PolarHBondContact O-N 2.9Å; Q249-K251 VanDerWaalsContact C-N 3.32Å
250L88.1Confident94.1Very high156 Ų15643.3 Ų43.382%0.81722%0.217SC*.THydrogen-bonded Turntrans-80.8-14.9174-55.8177.3000112.6N248 P252N248-L250 PolarHBondContact O-N 3.42Å; N248-L250 VanDerWaalsContact O-N 3.11Å; N248-L250 VanDerWaalsContact OD1-CB 3.29Å; N248-L250 WeakPolarHBondContact OD1-CB 3.43Å; N248-L250 PolarHBondContact OD1-N 2.74Å; L250-P252 VanDerWaalsContact C-CD 3.48Å
251K89.3Confident94.1Very high60 Ų6043.1 Ų43.126%0.26122%0.216SC..  trans-132.157.5179.4-64.1-173.4177.8-174.80111.6N248 Q249 Q253 N254N248-K251 CarbonylContact O-C 3.31Å; N248-K251 VanDerWaalsContact O-C 3.31Å; N248-K251 PolarHBondContact O-N 3.18Å; Q249-K251 VanDerWaalsContact C-N 3.32Å; K251-Q253 PolarHBondContact O-N 3.09Å; K251-Q253 VanDerWaalsContact O-N 3.08Å; K251-N254 PolarHBondContact O-N 3.05Å
252P91.7Very high94.2Very high74 Ų7443.8 Ų43.848%0.48122%0.219SC..Hα-helixtrans-61-22.7-175.227.6-36.2000113.7L250 N254 S255 T256L250-P252 VanDerWaalsContact C-CD 3.48Å; P252-N254 PolarHBondContact O-N 2.87Å; P252-S255 PolarHBondContact O-N 3.41Å; P252-T256 PolarHBondContact O-N 3.02Å; P252-T256 PolarHBondContact O-OG1 3.45Å
253Q93.1Very high94.4Very high47 Ų4749.3 Ų49.322%0.2225%0.249CC..Hα-helixtrans-60.6-29.8175.870.3-83.42000112.7G214 Q218 K251 T256 D257G214-Q253 PolarHBondContact O-NE2 2.85Å; Q218-Q253 HydrophobicContact CG-CG 3.87Å; K251-Q253 PolarHBondContact O-N 3.09Å; K251-Q253 VanDerWaalsContact O-N 3.08Å; Q253-T256 PolarHBondContact O-N 3.42Å; Q253-D257 WeakPolarHBondContact O-CB 3.33Å; Q253-D257 PolarHBondContact O-N 2.75Å
254N94.3Very high94.7Very high0 Ų049.8 Ų49.80%025%0.251CS..Hα-helixtrans-70.1-45.5-178.7-165.8-24000110.7S210 Q218 W219 Q245 K251 P252 T256 D257 F258S210-N254 PolarHBondContact O-ND2 3.25Å; S210-N254 PolarHBondContact O-OD1 2.87Å; Q218-N254 HydrophobicContact CB-CB 4.12Å; Q218-N254 HydrophobicContact CG-CB 3.99Å; W219-N254 PolarHBondContact NE1-OD1 3.33Å; Q245-N254 WeakPolarHBondContact CB-ND2 3.27Å; Q245-N254 VanDerWaalsContact O-CB 3.32Å; Q245-N254 WeakPolarHBondContact O-CB 3.28Å; Q245-N254 PolarHBondContact OE1-ND2 3.01Å; K251-N254 PolarHBondContact O-N 3.05Å; P252-N254 PolarHBondContact O-N 2.87Å; N254-T256 VanDerWaalsContact C-N 3.33Å; N254-T256 PolarHBondContact O-N 2.83Å; N254-D257 PolarHBondContact O-N 3.42Å; N254-F258 VanDerWaalsContact O-CB 3.27Å; N254-F258 WeakPolarHBondContact O-CB 3.38Å; N254-F258 PolarHBondContact O-N 2.95Å
255S95.7Very high94.9Very high29 Ų2947.5 Ų47.520%0.20324%0.242CC..Hα-helixtrans-58.9-44.4170.6-158.80000112I246 P252 F258 Y259I246-S255 WeakPolarHBondContact O-CB 3.44Å; I246-S255 PolarHBondContact O-OG 3.34Å; P252-S255 PolarHBondContact O-N 3.41Å; S255-F258 WeakPolarHBondContact O-CB 3.34Å; S255-F258 PolarHBondContact O-N 3.08Å; S255-Y259 WeakPolarHBondContact O-CD2 3.45Å; S255-Y259 PolarHBondContact O-N 3.12Å; S255-Y259 VanDerWaalsContact O-N 3.07Å; S255-Y259 WeakPolarHBondContact OG-CE2 3.27Å
256T96.3Very high95.1Very high87 Ų8750.8 Ų50.853%0.53427%0.266SS..Hα-helixtrans-61.2-49.8179.7-55.50000111.6P252 Q253 N254 F258 K260P252-T256 PolarHBondContact O-N 3.02Å; P252-T256 PolarHBondContact O-OG1 3.45Å; Q253-T256 PolarHBondContact O-N 3.42Å; N254-T256 VanDerWaalsContact C-N 3.33Å; N254-T256 PolarHBondContact O-N 2.83Å; T256-F258 VanDerWaalsContact C-N 3.33Å; T256-F258 PolarHBondContact O-N 3.04Å; T256-K260 VanDerWaalsContact O-CB 3.28Å; T256-K260 WeakPolarHBondContact O-CB 3.32Å; T256-K260 PolarHBondContact O-N 3.29Å
257D97.9Very high95.3Very high16 Ų1657.7 Ų57.79%0.08630%0.298CS..Hα-helixtrans-65.3-36.9178.1-81.7-4.2000111.6H217 Q218 W219 V221 Q253 N254 K260 F261H217-D257 WeakPolarHBondContact CA-OD2 3.32Å; H217-D257 PolarHBondContact N-OD2 2.7Å; Q218-D257 HydrophobicContact CB-CB 4.1Å; Q218-D257 PolarHBondContact N-OD2 3.03Å; W219-D257 HydrophobicContact CB-CB 4.16Å; V221-D257 HydrophobicContact CG1-CB 3.83Å; V221-D257 WeakPolarHBondContact CG1-O 3.5Å; Q253-D257 WeakPolarHBondContact O-CB 3.33Å; Q253-D257 PolarHBondContact O-N 2.75Å; N254-D257 PolarHBondContact O-N 3.42Å; D257-K260 PolarHBondContact O-N 3.2Å; D257-F261 VanDerWaalsContact O-CB 3.3Å; D257-F261 WeakPolarHBondContact O-CB 3.48Å; D257-F261 PolarHBondContact O-N 3.29Å
258F98.2Very high95.5Very high0 Ų058.1 Ų58.10%030%0.3CS..Hα-helixtrans-58.7-54.8177174.1-101.4000111.6W219 V239 A241 I246 N254 S255 T256 F261 L262 K274 L276W219-F258 VanDerWaalsContact CD1-CA 3.49Å; W219-F258 VanDerWaalsContact CD1-N 3.34Å; W219-F258 HydrophobicContact CD2-CB 4.41Å; W219-F258 AromaticContact CD2-CD2 3.99Å; W219-F258 HydrophobicContact CD2-CD2 3.99Å; W219-F258 AromaticContact CE2-CD2 3.62Å; W219-F258 HydrophobicContact CE3-CD2 4.33Å; W219-F258 HydrophobicContact CG-CB 4.24Å; W219-F258 AromaticContact CH2-CD2 3.99Å; W219-F258 HydrophobicContact CH2-CD2 3.99Å; W219-F258 HydrophobicContact CH2-CE2 4.25Å; W219-F258 AromaticContact CZ2-CD2 3.64Å; W219-F258 HydrophobicContact CZ2-CD2 3.64Å; W219-F258 HydrophobicContact CZ2-CE2 4.26Å; W219-F258 HydrophobicContact CZ3-CD2 4.32Å; V239-F258 HydrophobicContact CG1-CD2 4.09Å; V239-F258 HydrophobicContact CG1-CE2 3.57Å; A241-F258 HydrophobicContact CB-CD2 4.04Å; A241-F258 HydrophobicContact CB-CE2 3.53Å; A241-F258 HydrophobicContact CB-CZ 4.03Å; I246-F258 HydrophobicContact CD1-CD1 4.03Å; I246-F258 HydrophobicContact CD1-CE1 3.83Å; I246-F258 HydrophobicContact CD1-CZ 4.24Å; I246-F258 HydrophobicContact CG2-CB 3.92Å; I246-F258 HydrophobicContact CG2-CD1 4.19Å; I246-F258 HydrophobicContact CG2-CD2 4.14Å; I246-F258 HydrophobicContact CG2-CG 3.83Å; N254-F258 VanDerWaalsContact O-CB 3.27Å; N254-F258 WeakPolarHBondContact O-CB 3.38Å; N254-F258 PolarHBondContact O-N 2.95Å; S255-F258 WeakPolarHBondContact O-CB 3.34Å; S255-F258 PolarHBondContact O-N 3.08Å; T256-F258 VanDerWaalsContact C-N 3.33Å; T256-F258 PolarHBondContact O-N 3.04Å; F258-F261 PolarHBondContact O-N 3Å; F258-L262 HydrophobicContact CD1-CD1 4.01Å; F258-L262 HydrophobicContact CE1-CD1 3.46Å; F258-L262 VanDerWaalsContact CE1-CD1 3.46Å; F258-L262 HydrophobicContact CE1-CG 4.49Å; F258-L262 HydrophobicContact CE2-CD1 4.28Å; F258-L262 HydrophobicContact CZ-CD1 3.62Å; F258-L262 HydrophobicContact CZ-CG 4.42Å; F258-L262 WeakPolarHBondContact O-CG 3.45Å; F258-L262 PolarHBondContact O-N 2.72Å; F258-L262 VanDerWaalsContact O-N 3.12Å; F258-K274 HydrophobicContact CE1-CD 4.45Å; F258-K274 HydrophobicContact CZ-CD 3.96Å; F258-K274 HydrophobicContact CZ-CG 4.18Å; F258-L276 HydrophobicContact CE1-CD2 4.01Å; F258-L276 HydrophobicContact CE2-CD2 4.36Å; F258-L276 HydrophobicContact CZ-CD2 3.49Å; F258-L276 VanDerWaalsContact CZ-CD2 3.49Å
259Y97.8Very high95.9Very high94 Ų9462.8 Ų62.837%0.36933%0.326SS..Hα-helixtrans-66.5-40.3-179.7-70.7-64.3000111.7S255 F261 L262 D263S255-Y259 WeakPolarHBondContact O-CD2 3.45Å; S255-Y259 PolarHBondContact O-N 3.12Å; S255-Y259 VanDerWaalsContact O-N 3.07Å; S255-Y259 WeakPolarHBondContact OG-CE2 3.27Å; Y259-F261 VanDerWaalsContact C-N 3.31Å; Y259-F261 PolarHBondContact O-N 2.87Å; Y259-L262 HydrophobicContact CD1-CD1 4.32Å; Y259-L262 PolarHBondContact O-N 3.09Å; Y259-D263 PolarHBondContact O-N 2.99Å
260K98.3Very high96.5Very high94 Ų9457 Ų5741%0.40930%0.298SS..Hα-helixtrans-58.9-42173.9-177.9176.7176.3-173.30112V221 T256 D257 D263 I264V221-K260 HydrophobicContact CB-CD 4.04Å; V221-K260 HydrophobicContact CB-CG 4.49Å; V221-K260 HydrophobicContact CG1-CB 4.21Å; V221-K260 HydrophobicContact CG1-CD 3.98Å; V221-K260 HydrophobicContact CG1-CG 4.13Å; T256-K260 VanDerWaalsContact O-CB 3.28Å; T256-K260 WeakPolarHBondContact O-CB 3.32Å; T256-K260 PolarHBondContact O-N 3.29Å; D257-K260 PolarHBondContact O-N 3.2Å; K260-D263 PolarHBondContact O-N 3.38Å; K260-I264 HydrophobicContact CG-CD1 3.97Å; K260-I264 WeakPolarHBondContact O-CG1 3.37Å; K260-I264 PolarHBondContact O-N 3.31Å
261F98.6Very high96.9Very high0 Ų051.6 Ų51.60%027%0.273CS..Hα-helixtrans-61.8-46.6177.2179.3-144.7000111.1W219 P220 L226 I237 V239 D257 F258 Y259 D263 I264 L265W219-F261 HydrophobicContact CB-CB 3.95Å; W219-F261 HydrophobicContact CB-CD1 4.09Å; W219-F261 HydrophobicContact CB-CG 4.29Å; W219-F261 HydrophobicContact CE3-CD1 4.01Å; W219-F261 HydrophobicContact CE3-CE1 4.35Å; P220-F261 HydrophobicContact CB-CD2 4.02Å; P220-F261 HydrophobicContact CB-CE2 3.7Å; P220-F261 HydrophobicContact CB-CZ 3.99Å; P220-F261 HydrophobicContact CG-CD1 4.46Å; P220-F261 HydrophobicContact CG-CD2 4.42Å; P220-F261 HydrophobicContact CG-CE1 3.96Å; P220-F261 HydrophobicContact CG-CE2 3.92Å; P220-F261 HydrophobicContact CG-CZ 3.65Å; P220-F261 WeakPolarHBondContact O-CB 3.46Å; P220-F261 WeakPolarHBondContact O-CD2 3.37Å; P220-F261 VanDerWaalsContact O-CG 3.31Å; P220-F261 WeakPolarHBondContact O-CG 3.49Å; L226-F261 HydrophobicContact CD1-CD2 4.15Å; L226-F261 HydrophobicContact CD1-CE2 4.18Å; I237-F261 HydrophobicContact CG2-CE1 4.13Å; I237-F261 HydrophobicContact CG2-CZ 3.78Å; V239-F261 HydrophobicContact CG1-CD1 4.49Å; V239-F261 HydrophobicContact CG2-CD1 4.34Å; V239-F261 HydrophobicContact CG2-CE1 3.87Å; D257-F261 VanDerWaalsContact O-CB 3.3Å; D257-F261 WeakPolarHBondContact O-CB 3.48Å; D257-F261 PolarHBondContact O-N 3.29Å; F258-F261 PolarHBondContact O-N 3Å; Y259-F261 VanDerWaalsContact C-N 3.31Å; Y259-F261 PolarHBondContact O-N 2.87Å; F261-D263 VanDerWaalsContact C-N 3.33Å; F261-D263 PolarHBondContact O-N 3.39Å; F261-I264 PolarHBondContact O-N 2.96Å; F261-L265 HydrophobicContact CD1-CD1 4.13Å; F261-L265 HydrophobicContact CD2-CD1 3.94Å; F261-L265 HydrophobicContact CD2-CD2 4.22Å; F261-L265 HydrophobicContact CD2-CG 3.79Å; F261-L265 HydrophobicContact CE1-CD1 3.9Å; F261-L265 HydrophobicContact CE2-CD1 3.7Å; F261-L265 HydrophobicContact CE2-CD2 3.55Å; F261-L265 HydrophobicContact CE2-CG 3.6Å; F261-L265 HydrophobicContact CG-CD1 4.18Å; F261-L265 HydrophobicContact CG-CG 4.46Å; F261-L265 HydrophobicContact CZ-CD1 3.69Å; F261-L265 HydrophobicContact CZ-CD2 4Å; F261-L265 HydrophobicContact CZ-CG 4.1Å; F261-L265 VanDerWaalsContact O-CG 3.26Å; F261-L265 WeakPolarHBondContact O-CG 3.48Å; F261-L265 PolarHBondContact O-N 3.31Å
262L98.7Very high97.4Very high15 Ų1552.1 Ų52.18%0.07928%0.275CS..Hα-helixtrans-59.7-42.2176.7-64.2174000112.5V239 F258 Y259 I264 L265 S266 F272 K274V239-L262 HydrophobicContact CB-CD2 4.39Å; V239-L262 HydrophobicContact CG1-CD2 4.25Å; V239-L262 HydrophobicContact CG2-CD2 4.35Å; F258-L262 HydrophobicContact CD1-CD1 4.01Å; F258-L262 HydrophobicContact CE1-CD1 3.46Å; F258-L262 VanDerWaalsContact CE1-CD1 3.46Å; F258-L262 HydrophobicContact CE1-CG 4.49Å; F258-L262 HydrophobicContact CE2-CD1 4.28Å; F258-L262 HydrophobicContact CZ-CD1 3.62Å; F258-L262 HydrophobicContact CZ-CG 4.42Å; F258-L262 WeakPolarHBondContact O-CG 3.45Å; F258-L262 PolarHBondContact O-N 2.72Å; F258-L262 VanDerWaalsContact O-N 3.12Å; Y259-L262 HydrophobicContact CD1-CD1 4.32Å; Y259-L262 PolarHBondContact O-N 3.09Å; L262-I264 VanDerWaalsContact C-N 3.35Å; L262-L265 PolarHBondContact O-N 2.85Å; L262-S266 WeakPolarHBondContact O-CB 3.35Å; L262-S266 PolarHBondContact O-N 3.46Å; L262-F272 HydrophobicContact CD2-CD2 4.13Å; L262-F272 HydrophobicContact CD2-CE2 3.8Å; L262-K274 HydrophobicContact CD1-CD 3.42Å; L262-K274 VanDerWaalsContact CD1-CD 3.42Å; L262-K274 HydrophobicContact CD1-CG 4.35Å; L262-K274 HydrophobicContact CD2-CB 4.23Å; L262-K274 HydrophobicContact CD2-CD 4.01Å; L262-K274 HydrophobicContact CD2-CG 4.18Å; L262-K274 HydrophobicContact CG-CD 4.38Å
263D98.7Very high97.7Very high115 Ų11554.9 Ų54.962%0.61528%0.28SS*.Hα-helixtrans-62.3-43.3177-71.6-17.5000111.3Y259 K260 F261 S266 H267Y259-D263 PolarHBondContact O-N 2.99Å; K260-D263 PolarHBondContact O-N 3.38Å; F261-D263 VanDerWaalsContact C-N 3.33Å; F261-D263 PolarHBondContact O-N 3.39Å; D263-S266 PolarHBondContact O-N 2.85Å; D263-H267 VanDerWaalsContact O-CB 3.23Å; D263-H267 WeakPolarHBondContact O-CB 3.22Å; D263-H267 PolarHBondContact O-N 3.39Å
264I98.7Very high97.8Very high11 Ų1157.7 Ų57.76%0.05629%0.291CS..Hα-helixtrans-62.4-47.4176.1-67.1167.7000110.7L223 L226 K260 F261 L262 S266 H267 L268L223-I264 HydrophobicContact CD2-CB 4.33Å; L223-I264 HydrophobicContact CD2-CD1 3.98Å; L223-I264 HydrophobicContact CD2-CG1 3.75Å; L223-I264 HydrophobicContact CD2-CG2 3.69Å; L223-I264 HydrophobicContact CG-CD1 4.01Å; L223-I264 HydrophobicContact CG-CG1 4.24Å; L226-I264 HydrophobicContact CB-CG2 3.97Å; L226-I264 HydrophobicContact CD1-CB 4.42Å; L226-I264 HydrophobicContact CD1-CD1 4.3Å; L226-I264 HydrophobicContact CD1-CG2 3.64Å; L226-I264 HydrophobicContact CG-CG2 4.46Å; K260-I264 HydrophobicContact CG-CD1 3.97Å; K260-I264 WeakPolarHBondContact O-CG1 3.37Å; K260-I264 PolarHBondContact O-N 3.31Å; F261-I264 PolarHBondContact O-N 2.96Å; L262-I264 VanDerWaalsContact C-N 3.35Å; I264-S266 VanDerWaalsContact C-N 3.31Å; I264-S266 PolarHBondContact O-N 3.37Å; I264-H267 PolarHBondContact O-N 3.12Å; I264-L268 HydrophobicContact CG2-CD1 3.58Å; I264-L268 HydrophobicContact CG2-CG 4.21Å; I264-L268 WeakPolarHBondContact O-CB 3.47Å; I264-L268 WeakPolarHBondContact O-CG 3.43Å; I264-L268 PolarHBondContact O-N 2.71Å
265L98.7Very high97.9Very high0 Ų060.8 Ų60.80%031%0.305CS..Hα-helixtrans-58.8-44.6179.2-68.2172.1000111.4I237 V239 F261 L262 N269 L270 F272I237-L265 HydrophobicContact CD1-CD2 3.48Å; I237-L265 VanDerWaalsContact CD1-CD2 3.48Å; I237-L265 HydrophobicContact CG2-CD1 3.95Å; I237-L265 HydrophobicContact CG2-CD2 4.32Å; V239-L265 HydrophobicContact CG2-CD1 4.11Å; F261-L265 HydrophobicContact CD1-CD1 4.13Å; F261-L265 HydrophobicContact CD2-CD1 3.94Å; F261-L265 HydrophobicContact CD2-CD2 4.22Å; F261-L265 HydrophobicContact CD2-CG 3.79Å; F261-L265 HydrophobicContact CE1-CD1 3.9Å; F261-L265 HydrophobicContact CE2-CD1 3.7Å; F261-L265 HydrophobicContact CE2-CD2 3.55Å; F261-L265 HydrophobicContact CE2-CG 3.6Å; F261-L265 HydrophobicContact CG-CD1 4.18Å; F261-L265 HydrophobicContact CG-CG 4.46Å; F261-L265 HydrophobicContact CZ-CD1 3.69Å; F261-L265 HydrophobicContact CZ-CD2 4Å; F261-L265 HydrophobicContact CZ-CG 4.1Å; F261-L265 VanDerWaalsContact O-CG 3.26Å; F261-L265 WeakPolarHBondContact O-CG 3.48Å; F261-L265 PolarHBondContact O-N 3.31Å; L262-L265 PolarHBondContact O-N 2.85Å; L265-N269 PolarHBondContact O-N 2.81Å; L265-N269 VanDerWaalsContact O-N 3.16Å; L265-L270 HydrophobicContact CD2-CB 3.88Å; L265-L270 HydrophobicContact CD2-CD1 3.89Å; L265-L270 PolarHBondContact O-N 3.47Å; L265-F272 HydrophobicContact CB-CB 4.42Å; L265-F272 HydrophobicContact CB-CD1 3.5Å; L265-F272 HydrophobicContact CB-CE1 3.78Å; L265-F272 HydrophobicContact CB-CG 3.92Å; L265-F272 HydrophobicContact CB-CZ 4.42Å; L265-F272 HydrophobicContact CD1-CB 3.78Å; L265-F272 HydrophobicContact CD1-CD1 4.23Å; L265-F272 HydrophobicContact CD1-CD2 4Å; L265-F272 HydrophobicContact CD1-CG 3.75Å; L265-F272 HydrophobicContact CG-CD1 4.42Å; L265-F272 HydrophobicContact CG-CG 4.4Å
266S98.5Very high97.9Very high74 Ų7462.3 Ų62.352%0.51731%0.311SS..Hα-helixtrans-63.7-50.9176.6-174.80000111.6L262 D263 I264 L268 N269L262-S266 WeakPolarHBondContact O-CB 3.35Å; L262-S266 PolarHBondContact O-N 3.46Å; D263-S266 PolarHBondContact O-N 2.85Å; I264-S266 VanDerWaalsContact C-N 3.31Å; I264-S266 PolarHBondContact O-N 3.37Å; S266-L268 VanDerWaalsContact C-N 3.32Å; S266-L268 PolarHBondContact O-N 3.04Å; S266-N269 PolarHBondContact O-N 2.98Å
267H98.5Very high97.8Very high150 Ų15058.6 Ų58.669%0.69429%0.288SS*.Hα-helixtrans-61.6-39.1-177.9-175.973.8000112.7D263 I264 N269D263-H267 VanDerWaalsContact O-CB 3.23Å; D263-H267 WeakPolarHBondContact O-CB 3.22Å; D263-H267 PolarHBondContact O-N 3.39Å; I264-H267 PolarHBondContact O-N 3.12Å; H267-N269 VanDerWaalsContact C-N 3.29Å; H267-N269 PolarHBondContact O-N 3.37Å
268L97.9Very high97.5Very high41 Ų4160.9 Ų60.922%0.21530%0.297CS..THydrogen-bonded Turntrans-84.70.3178.6-62.8179000113.4L226 P231 I264 S266 L270L226-L268 HydrophobicContact CB-CD1 4.03Å; L226-L268 WeakPolarHBondContact O-CD1 3.47Å; P231-L268 WeakPolarHBondContact CG-O 3.32Å; I264-L268 HydrophobicContact CG2-CD1 3.58Å; I264-L268 HydrophobicContact CG2-CG 4.21Å; I264-L268 WeakPolarHBondContact O-CB 3.47Å; I264-L268 WeakPolarHBondContact O-CG 3.43Å; I264-L268 PolarHBondContact O-N 2.71Å; S266-L268 VanDerWaalsContact C-N 3.32Å; S266-L268 PolarHBondContact O-N 3.04Å; L268-L270 HydrophobicContact CB-CD1 4.14Å; L268-L270 HydrophobicContact CB-CG 3.85Å; L268-L270 HydrophobicContact CD1-CD1 4.13Å; L268-L270 PolarHBondContact O-N 3.29Å
269N98Very high97Very high128 Ų12862 Ų6268%0.68430%0.302SS*.THydrogen-bonded Turntrans54.330.7-174.6-57.6-77000113.7P231 L265 S266 H267P231-N269 WeakPolarHBondContact CB-O 3.39Å; L265-N269 PolarHBondContact O-N 2.81Å; L265-N269 VanDerWaalsContact O-N 3.16Å; S266-N269 PolarHBondContact O-N 2.98Å; H267-N269 VanDerWaalsContact C-N 3.29Å; H267-N269 PolarHBondContact O-N 3.37Å
270L98.4Very high96.2Very high5 Ų559.1 Ų59.13%0.02630%0.296CS..  trans-70.4143.7177.4-63.7175.8000109.7L229 P231 L265 L268 F272L229-L270 HydrophobicContact CB-CD1 4.42Å; L229-L270 HydrophobicContact CB-CD2 3.74Å; L229-L270 HydrophobicContact CD1-CD1 3.93Å; P231-L270 HydrophobicContact CG-CD2 4.15Å; L265-L270 HydrophobicContact CD2-CB 3.88Å; L265-L270 HydrophobicContact CD2-CD1 3.89Å; L265-L270 PolarHBondContact O-N 3.47Å; L268-L270 HydrophobicContact CB-CD1 4.14Å; L268-L270 HydrophobicContact CB-CG 3.85Å; L268-L270 HydrophobicContact CD1-CD1 4.13Å; L268-L270 PolarHBondContact O-N 3.29Å; L270-F272 WeakPolarHBondContact O-CD1 3.39Å; L270-F272 PolarHBondContact O-N 3.14Å; L270-F272 VanDerWaalsContact O-N 3.1Å
271P98.2Very high94.8Very high43 Ų4360.2 Ų60.228%0.27931%0.306SS..  trans-74.3105.3-175.629.6-33.5000110.4C234 R236 I237C234-P271 WeakPolarHBondContact SG-CD 3.27Å; R236-P271 HydrophobicContact CG-CB 4.4Å; I237-P271 PolarHBondContact N-O 3.49Å
272F98.5Very high93Very high71 Ų7165 Ų6531%0.31133%0.331SS..EExtended strand (participates in β ladder)trans-133.1157.8179.180.8-80.8000115.1I237 L262 L265 L270 K274I237-F272 HydrophobicContact CB-CB 4Å; I237-F272 HydrophobicContact CG2-CB 4.2Å; I237-F272 CarbonylContact O-C 3.58Å; I237-F272 WeakPolarHBondContact O-CA 3.28Å; I237-F272 WeakPolarHBondContact O-CB 3.47Å; L262-F272 HydrophobicContact CD2-CD2 4.13Å; L262-F272 HydrophobicContact CD2-CE2 3.8Å; L265-F272 HydrophobicContact CB-CB 4.42Å; L265-F272 HydrophobicContact CB-CD1 3.5Å; L265-F272 HydrophobicContact CB-CE1 3.78Å; L265-F272 HydrophobicContact CB-CG 3.92Å; L265-F272 HydrophobicContact CB-CZ 4.42Å; L265-F272 HydrophobicContact CD1-CB 3.78Å; L265-F272 HydrophobicContact CD1-CD1 4.23Å; L265-F272 HydrophobicContact CD1-CD2 4Å; L265-F272 HydrophobicContact CD1-CG 3.75Å; L265-F272 HydrophobicContact CG-CD1 4.42Å; L265-F272 HydrophobicContact CG-CG 4.4Å; L270-F272 WeakPolarHBondContact O-CD1 3.39Å; L270-F272 PolarHBondContact O-N 3.14Å; L270-F272 VanDerWaalsContact O-N 3.1Å; F272-K274 HydrophobicContact CE2-CB 4.46Å
273K98.2Very high90.9Very high133 Ų13368.1 Ų68.158%0.57835%0.345SS*.EExtended strand (participates in β ladder)trans-128.3135.6167.3-69.3-174.7179.2-177.90109.6I237 V239I237-K273 PolarHBondContact O-N 3.41Å; V239-K273 PolarHBondContact N-O 3.2Å
274K96.4Very high88.6Confident106 Ų10670.4 Ų70.446%0.46135%0.35SS..EExtended strand (participates in β ladder)trans-107.7135.7175.5-176.8-175.175.1163.10110V239 F258 L262 F272V239-K274 CarbonylContact O-C 3.59Å; V239-K274 WeakPolarHBondContact O-CA 3.5Å; F258-K274 HydrophobicContact CE1-CD 4.45Å; F258-K274 HydrophobicContact CZ-CD 3.96Å; F258-K274 HydrophobicContact CZ-CG 4.18Å; L262-K274 HydrophobicContact CD1-CD 3.42Å; L262-K274 VanDerWaalsContact CD1-CD 3.42Å; L262-K274 HydrophobicContact CD1-CG 4.35Å; L262-K274 HydrophobicContact CD2-CB 4.23Å; L262-K274 HydrophobicContact CD2-CD 4.01Å; L262-K274 HydrophobicContact CD2-CG 4.18Å; L262-K274 HydrophobicContact CG-CD 4.38Å; F272-K274 HydrophobicContact CE2-CB 4.46Å
275Q96Very high85.9Confident64 Ų6472.9 Ų72.930%0.29937%0.368SS..EExtended strand (participates in β ladder)trans-136.2119.2169.7-168.8173.5-15.800110.5V239 H240 A241 H277V239-Q275 PolarHBondContact O-N 3.37Å; H240-Q275 VanDerWaalsContact CA-O 3.29Å; H240-Q275 WeakPolarHBondContact CA-O 3.46Å; H240-Q275 PolarHBondContact CE1-OE1 2.98Å; A241-Q275 PolarHBondContact N-O 2.96Å; Q275-H277 PolarHBondContact NE2-CE1 3.26Å; Q275-H277 PolarHBondContact O-CD2 3.32Å
276L95Very high83.2Confident61 Ų6182.7 Ų82.732%0.31941%0.414SS..EExtended strand (participates in β ladder)trans-96.9129.5173-61.7-178.5000109.4A241 I246 F258 M279A241-L276 HydrophobicContact CB-CD2 3.93Å; A241-L276 WeakPolarHBondContact O-CA 3.45Å; I246-L276 HydrophobicContact CD1-CD2 3.68Å; F258-L276 HydrophobicContact CE1-CD2 4.01Å; F258-L276 HydrophobicContact CE2-CD2 4.36Å; F258-L276 HydrophobicContact CZ-CD2 3.49Å; F258-L276 VanDerWaalsContact CZ-CD2 3.49Å; L276-M279 HydrophobicContact CB-CE 4.28Å; L276-M279 HydrophobicContact CB-CG 3.65Å; L276-M279 HydrophobicContact CD1-CE 4.43Å; L276-M279 HydrophobicContact CD1-CG 4.17Å; L276-M279 HydrophobicContact CD2-CE 4.09Å; L276-M279 HydrophobicContact CG-CG 4.45Å
277H94.1Very high80.2Confident10 Ų1082.5 Ų82.55%0.04641%0.413CS..  trans-108.9141.8-176.6-58.4-96.2000110H240 A241 P243 Q275 M279 I308 H311H240-H277 AromaticContact CG-NE2 3.65Å; H240-H277 AromaticContact ND1-CE1 3.61Å; H240-H277 AromaticContact ND1-NE2 3.04Å; H240-H277 PolarHBondContact ND1-NE2 2.83Å; A241-H277 PolarHBondContact O-N 3.35Å; P243-H277 WeakPolarHBondContact CD-O 3.3Å; Q275-H277 PolarHBondContact NE2-CE1 3.26Å; Q275-H277 PolarHBondContact O-CD2 3.32Å; H277-M279 PolarHBondContact O-N 3.48Å; H277-I308 HydrophobicContact CB-CG1 4.25Å; H277-H311 PolarHBondContact CE1-O 3.32Å; H277-H311 WeakPolarHBondContact ND1-CB 3.2Å
278F92.4Very high77.3Confident64 Ų6479.4 Ų79.428%0.28141%0.406SS..SBendtrans58.217.8174-35.9-64.7000115.2Y304 E307 H311F278-Y304 HydrophobicContact CB-CD1 4.18Å; F278-Y304 HydrophobicContact CB-CG 4.39Å; F278-Y304 HydrophobicContact CD1-CD1 4.1Å; F278-Y304 HydrophobicContact CD1-CE1 4.36Å; F278-Y304 AromaticContact CD2-CD1 3.93Å; F278-Y304 HydrophobicContact CD2-CD1 3.93Å; F278-Y304 HydrophobicContact CD2-CG 4.2Å; F278-Y304 HydrophobicContact CE1-CD1 4.5Å; F278-Y304 HydrophobicContact CE2-CD1 4.34Å; F278-Y304 WeakPolarHBondContact CE2-O 3.41Å; F278-Y304 AromaticContact CG-CD1 3.8Å; F278-Y304 HydrophobicContact CG-CD1 3.8Å; F278-Y304 HydrophobicContact CG-CE1 4.34Å; F278-Y304 HydrophobicContact CG-CG 4.29Å; F278-E307 HydrophobicContact CE1-CG 4.3Å; F278-E307 HydrophobicContact CE2-CB 4.17Å; F278-E307 HydrophobicContact CZ-CB 3.87Å; F278-E307 HydrophobicContact CZ-CG 3.78Å; F278-H311 AromaticContact CE1-CD2 3.78Å; F278-H311 AromaticContact CE1-NE2 3.68Å; F278-H311 AromaticContact CZ-CD2 3.45Å; F278-H311 VanDerWaalsContact CZ-CD2 3.45Å; F278-H311 WeakPolarHBondContact CZ-CD2 3.19Å; F278-H311 AromaticContact CZ-NE2 3.82Å
279M87.7Confident74.5Confident22 Ų2286.8 Ų86.811%0.10844%0.437CS..  trans-65.4139.9176-72.1-62.8166.400111P243 I246 M247 L276 H277P243-M279 HydrophobicContact CB-SD 4.5Å; P243-M279 HydrophobicContact CG-CE 4.04Å; P243-M279 HydrophobicContact CG-SD 3.76Å; I246-M279 HydrophobicContact CD1-CE 3.28Å; I246-M279 HydrophobicContact CG1-CE 3.45Å; I246-M279 VanDerWaalsContact CG1-CE 3.45Å; M247-M279 HydrophobicContact CG-SD 4.34Å; M247-M279 HydrophobicContact SD-SD 3.69Å; M247-M279 VanDerWaalsContact SD-SD 3.69Å; L276-M279 HydrophobicContact CB-CE 4.28Å; L276-M279 HydrophobicContact CB-CG 3.65Å; L276-M279 HydrophobicContact CD1-CE 4.43Å; L276-M279 HydrophobicContact CD1-CG 4.17Å; L276-M279 HydrophobicContact CD2-CE 4.09Å; L276-M279 HydrophobicContact CG-CG 4.45Å; H277-M279 PolarHBondContact O-N 3.48Å
280P81.3Confident71.9Confident35 Ų3586.1 Ų86.123%0.22744%0.437CS..  trans-56.7145.2169.6-22.535.6000110.8M247 D282 E283 I299M247-P280 HydrophobicContact CE-CG 4.39Å; M247-P280 HydrophobicContact SD-CG 4.46Å; P280-D282 PolarHBondContact O-N 3.46Å; P280-E283 PolarHBondContact O-N 3.41Å; P280-E283 VanDerWaalsContact O-N 3.12Å; P280-I299 HydrophobicContact CG-CD1 3.89Å; P280-I299 HydrophobicContact CG-CG2 4.4Å
281D69.3Low69.4Low116 Ų11693 Ų9362%0.6247%0.474SS*.G310 helixtrans-59.9-32.9179.3-71.6-43.2000112.3E283 K284D281-E283 PolarHBondContact O-N 3.21Å; D281-K284 PolarHBondContact O-N 3.18Å; D281-K284 IonicContact OD1-NZ 2.66Å; D281-K284 PolarHBondContact OD1-NZ 3.17Å
282D59Low67.3Low101 Ų10193.3 Ų93.354%0.5448%0.478SS..G310 helixtrans-60.2-25.2178.5-62.4-28.7000113.2P280 S285P280-D282 PolarHBondContact O-N 3.46Å; D282-S285 CarbonylContact O-C 3.54Å; D282-S285 PolarHBondContact O-OG 3.34Å
283E54.4Low65Low80 Ų8099.5 Ų99.537%0.37450%0.499SS..G310 helixtrans-96.9-3.1176.9-82.2-143.6-176.400114.4P280 D281 S285P280-E283 PolarHBondContact O-N 3.41Å; P280-E283 VanDerWaalsContact O-N 3.12Å; D281-E283 PolarHBondContact O-N 3.21Å; E283-S285 CarbonylContact C-O 3.44Å; E283-S285 VanDerWaalsContact CA-O 3.26Å; E283-S285 WeakPolarHBondContact CA-O 3.14Å; E283-S285 PolarHBondContact O-N 2.7Å
284K50.9Low62.7Low163 Ų163100.2 Ų100.271%0.70951%0.508SS*.THydrogen-bonded Turntrans-66.2-17.9159.1-67.5176.6-171.2147.50110.5D281D281-K284 PolarHBondContact O-N 3.18Å; D281-K284 IonicContact OD1-NZ 2.66Å; D281-K284 PolarHBondContact OD1-NZ 3.17Å
285S42.6Very low60.8Low63 Ų63100.8 Ų100.844%0.44151%0.511SS..THydrogen-bonded Turntrans-107.4140.516448.30000110.9D282 E283 S287D282-S285 CarbonylContact O-C 3.54Å; D282-S285 PolarHBondContact O-OG 3.34Å; E283-S285 CarbonylContact C-O 3.44Å; E283-S285 VanDerWaalsContact CA-O 3.26Å; E283-S285 WeakPolarHBondContact CA-O 3.14Å; E283-S285 PolarHBondContact O-N 2.7Å; S285-S287 PolarHBondContact O-N 3.41Å
286E41.2Very low59.1Low206 Ų20698.8 Ų98.896%0.96350%0.502SS*.THydrogen-bonded Turntrans-74.945.5-171.6-62.7179.5160.100115.5
287S36.9Very low57.5Low70 Ų70101.6 Ų101.649%0.4952%0.518SS..  trans-123.2114.6-179.461.40000113.5S285S285-S287 PolarHBondContact O-N 3.41Å
288P37.9Very low56.3Low86 Ų86105.7 Ų105.756%0.55854%0.543SS*.  trans-79.8169.5169.619.5-6.3000110.4
289F38.6Very low55.7Low195 Ų195104.3 Ų104.386%0.85554%0.538SS*.  trans99.395.2173.7-53.8-72.6000116.2
290T43.2Very low55.6Low114 Ų114104.3 Ų104.370%0.69954%0.54SS*.SBend179.6133.8121.5290000111
291N45.3Very low56Low150 Ų150104 Ų10480%0.80254%0.538SS*.SBendtrans56.948.5168.4-94.9-14.4000117.9
292S53.7Low57.1Low50 Ų50100 Ų10035%0.3552%0.517SS..Hα-helixtrans-81.6-31.6-160.271.90000117.4K295 N296S292-K295 CarbonylContact O-C 3.59Å; S292-K295 PolarHBondContact O-N 3.43Å; S292-N296 WeakPolarHBondContact O-CA 3.34Å; S292-N296 WeakPolarHBondContact O-CB 3.49Å; S292-N296 PolarHBondContact O-N 3.22Å; S292-N296 PolarHBondContact O-OD1 3.17Å; S292-N296 VanDerWaalsContact O-OD1 3.13Å
293R50.6Low58.7Low200 Ų20099.6 Ų99.676%0.75552%0.515SS*.Hα-helixtrans-63.5-54.9-164.8-72.4-168.1-167.9-172.54.2115K295 N296 D297R293-K295 VanDerWaalsContact C-N 3.29Å; R293-K295 PolarHBondContact O-N 2.65Å; R293-N296 WeakPolarHBondContact O-CB 3.28Å; R293-N296 PolarHBondContact O-N 3.28Å; R293-N296 VanDerWaalsContact O-N 3.13Å; R293-D297 PolarHBondContact O-N 3.22Å
294L51.2Low60.4Low148 Ų14899.9 Ų99.978%0.77551%0.513SS*.Hα-helixtrans-64.6-35.3178.8-75167.8000112.1V298L294-V298 WeakPolarHBondContact O-CG2 3.41Å; L294-V298 PolarHBondContact O-N 3Å
295K56.8Low62.5Low118 Ų11892.3 Ų92.351%0.51348%0.48SS..Hα-helixtrans-64.4-44.9172.4-78.2-174.9174.2-175.70110.6S292 R293 D297 V298 I299S292-K295 CarbonylContact O-C 3.59Å; S292-K295 PolarHBondContact O-N 3.43Å; R293-K295 VanDerWaalsContact C-N 3.29Å; R293-K295 PolarHBondContact O-N 2.65Å; K295-D297 PolarHBondContact O-N 3.47Å; K295-V298 PolarHBondContact O-N 3.32Å; K295-I299 HydrophobicContact CB-CD1 4.01Å; K295-I299 VanDerWaalsContact O-CB 3.28Å; K295-I299 WeakPolarHBondContact O-CB 3.27Å; K295-I299 WeakPolarHBondContact O-CD1 3.48Å; K295-I299 WeakPolarHBondContact O-CG1 3.34Å; K295-I299 PolarHBondContact O-N 3.3Å
296N58.4Low65.1Low22 Ų2289.4 Ų89.412%0.11846%0.46CS..Hα-helixtrans-63.5-40.5-177.9-77.33.9000111.6S292 R293 V298 I299 C300S292-N296 WeakPolarHBondContact O-CA 3.34Å; S292-N296 WeakPolarHBondContact O-CB 3.49Å; S292-N296 PolarHBondContact O-N 3.22Å; S292-N296 PolarHBondContact O-OD1 3.17Å; S292-N296 VanDerWaalsContact O-OD1 3.13Å; R293-N296 WeakPolarHBondContact O-CB 3.28Å; R293-N296 PolarHBondContact O-N 3.28Å; R293-N296 VanDerWaalsContact O-N 3.13Å; N296-V298 VanDerWaalsContact C-N 3.33Å; N296-V298 PolarHBondContact O-N 3.06Å; N296-I299 PolarHBondContact O-N 2.91Å; N296-C300 WeakPolarHBondContact O-CB 3.39Å; N296-C300 PolarHBondContact O-N 3.03Å; N296-C300 PolarHBondContact O-SG 3.37Å
297D63Low67.8Low121 Ų12181.9 Ų81.965%0.64743%0.425SS*.Hα-helixtrans-64.8-38.7178.9-69-22.8000111.8R293 K295R293-D297 PolarHBondContact O-N 3.22Å; K295-D297 PolarHBondContact O-N 3.47Å
298V68.2Low70.6Confident96 Ų9678.6 Ų78.658%0.58240%0.401SS*.Hα-helixtrans-70.5-41175.8177.80000111L294 K295 N296 S301 Y304L294-V298 WeakPolarHBondContact O-CG2 3.41Å; L294-V298 PolarHBondContact O-N 3Å; K295-V298 PolarHBondContact O-N 3.32Å; N296-V298 VanDerWaalsContact C-N 3.33Å; N296-V298 PolarHBondContact O-N 3.06Å; V298-S301 WeakPolarHBondContact O-CB 3.5Å; V298-S301 PolarHBondContact O-OG 2.78Å; V298-Y304 WeakPolarHBondContact O-CE2 3.05Å
299I79.1Confident73.4Confident34 Ų3474.5 Ų74.517%0.17438%0.375CS..Hα-helixtrans-74.4-36.3-176.4-68.2162.4000111.5P243 M247 P280 K295 N296 S301 Y304P243-I299 HydrophobicContact CB-CG2 3.28Å; P243-I299 HydrophobicContact CG-CG2 3.52Å; M247-I299 HydrophobicContact SD-CG2 4.46Å; P280-I299 HydrophobicContact CG-CD1 3.89Å; P280-I299 HydrophobicContact CG-CG2 4.4Å; K295-I299 HydrophobicContact CB-CD1 4.01Å; K295-I299 VanDerWaalsContact O-CB 3.28Å; K295-I299 WeakPolarHBondContact O-CB 3.27Å; K295-I299 WeakPolarHBondContact O-CD1 3.48Å; K295-I299 WeakPolarHBondContact O-CG1 3.34Å; K295-I299 PolarHBondContact O-N 3.3Å; N296-I299 PolarHBondContact O-N 2.91Å; I299-S301 VanDerWaalsContact C-N 3.25Å; I299-S301 PolarHBondContact O-N 3.08Å; I299-Y304 WeakPolarHBondContact O-CD2 3.44Å
300C87.1Confident76.2Confident22 Ų2267.6 Ų67.615%0.14935%0.347CS..THydrogen-bonded Turntrans-92.641.7177.5-55.90000111.4P243 Y244 N296P243-C300 PolarHBondContact O-SG 3.37Å; P243-C300 VanDerWaalsContact O-SG 3.42Å; Y244-C300 VanDerWaalsContact CD2-O 3.3Å; Y244-C300 WeakPolarHBondContact CD2-O 3.24Å; N296-C300 WeakPolarHBondContact O-CB 3.39Å; N296-C300 PolarHBondContact O-N 3.03Å; N296-C300 PolarHBondContact O-SG 3.37Å
301S89.7Confident78.6Confident28 Ų2865.9 Ų65.920%0.19633%0.331CS..  trans-85149.7179.469.70000111.9Y244 V298 I299 D303 Y304 H305Y244-S301 WeakPolarHBondContact CD2-O 3.46Å; V298-S301 WeakPolarHBondContact O-CB 3.5Å; V298-S301 PolarHBondContact O-OG 2.78Å; I299-S301 VanDerWaalsContact C-N 3.25Å; I299-S301 PolarHBondContact O-N 3.08Å; S301-D303 PolarHBondContact O-N 2.92Å; S301-Y304 PolarHBondContact O-N 2.87Å; S301-Y304 WeakPolarHBondContact OG-CD2 3.41Å; S301-Y304 PolarHBondContact OG-N 2.8Å; S301-H305 PolarHBondContact O-N 2.88Å
302L91.5Very high80.7Confident33 Ų3358.7 Ų58.717%0.17329%0.293CS..Hα-helixtrans-65.8-19.6174.7-172.858.3000111.8F53 Y57 Y244 H305 F306F53-L302 HydrophobicContact CE2-CD2 4.39Å; F53-L302 HydrophobicContact CZ-CD2 3.82Å; Y57-L302 HydrophobicContact CD2-CD2 4.34Å; Y57-L302 HydrophobicContact CE1-CD2 4.33Å; Y57-L302 HydrophobicContact CE1-CG 4.12Å; Y57-L302 HydrophobicContact CE2-CD2 3.41Å; Y57-L302 VanDerWaalsContact CE2-CD2 3.41Å; Y57-L302 HydrophobicContact CE2-CG 4.09Å; Y57-L302 VanDerWaalsContact CZ-CD2 3.45Å; Y57-L302 WeakPolarHBondContact OH-CD2 3.27Å; Y244-L302 HydrophobicContact CE1-CD1 4.31Å; Y244-L302 HydrophobicContact CE2-CB 4.21Å; Y244-L302 HydrophobicContact CE2-CD1 4.14Å; L302-H305 HydrophobicContact CD1-CB 3.96Å; L302-H305 VanDerWaalsContact CD1-CD2 3.47Å; L302-H305 WeakPolarHBondContact CD1-CD2 3.12Å; L302-H305 WeakPolarHBondContact O-CB 3.21Å; L302-H305 PolarHBondContact O-N 3.47Å; L302-F306 HydrophobicContact CD1-CD2 4.26Å; L302-F306 HydrophobicContact CD1-CE2 3.9Å; L302-F306 HydrophobicContact CD2-CE2 4.28Å; L302-F306 HydrophobicContact CG-CD2 4.1Å; L302-F306 HydrophobicContact CG-CE2 3.81Å; L302-F306 VanDerWaalsContact O-CD2 3.28Å; L302-F306 WeakPolarHBondContact O-CD2 3.28Å; L302-F306 PolarHBondContact O-N 3.24Å
303D92.1Very high82.2Confident92 Ų9260.5 Ų60.549%0.49230%0.296SS..Hα-helixtrans-65.1-46.4172.5-70.6-34.7000111.6Y57 S301 H305 F306 E307Y57-D303 WeakPolarHBondContact CE1-OD1 3.42Å; S301-D303 PolarHBondContact O-N 2.92Å; D303-H305 VanDerWaalsContact C-N 3.28Å; D303-H305 PolarHBondContact O-N 3.06Å; D303-F306 PolarHBondContact O-N 3.26Å; D303-E307 VanDerWaalsContact O-CB 3.27Å; D303-E307 WeakPolarHBondContact O-CB 3.33Å; D303-E307 PolarHBondContact O-N 2.75Å
304Y91.3Very high84.1Confident87 Ų8751.6 Ų51.634%0.34126%0.263SS..Hα-helixtrans-66.9-30.7176.4-70.1-48.4000113F278 V298 I299 S301 E307 I308F278-Y304 HydrophobicContact CB-CD1 4.18Å; F278-Y304 HydrophobicContact CB-CG 4.39Å; F278-Y304 HydrophobicContact CD1-CD1 4.1Å; F278-Y304 HydrophobicContact CD1-CE1 4.36Å; F278-Y304 AromaticContact CD2-CD1 3.93Å; F278-Y304 HydrophobicContact CD2-CD1 3.93Å; F278-Y304 HydrophobicContact CD2-CG 4.2Å; F278-Y304 HydrophobicContact CE1-CD1 4.5Å; F278-Y304 HydrophobicContact CE2-CD1 4.34Å; F278-Y304 WeakPolarHBondContact CE2-O 3.41Å; F278-Y304 AromaticContact CG-CD1 3.8Å; F278-Y304 HydrophobicContact CG-CD1 3.8Å; F278-Y304 HydrophobicContact CG-CE1 4.34Å; F278-Y304 HydrophobicContact CG-CG 4.29Å; V298-Y304 WeakPolarHBondContact O-CE2 3.05Å; I299-Y304 WeakPolarHBondContact O-CD2 3.44Å; S301-Y304 PolarHBondContact O-N 2.87Å; S301-Y304 WeakPolarHBondContact OG-CD2 3.41Å; S301-Y304 PolarHBondContact OG-N 2.8Å; Y304-E307 PolarHBondContact O-N 3.32Å; Y304-I308 PolarHBondContact O-N 2.77Å
305H95.4Very high85.7Confident4 Ų446.8 Ų46.82%0.01924%0.237CC..Hα-helixtrans-56.6-52.5171.4178.755.4000111.1F160 S161 D209 Y244 Q245 S301 L302 D303 I308F160-H305 AromaticContact CE1-NE2 3.79Å; F160-H305 AromaticContact CE2-CE1 3.69Å; F160-H305 AromaticContact CE2-NE2 3.9Å; F160-H305 VanDerWaalsContact CE2-O 3.23Å; F160-H305 WeakPolarHBondContact CE2-O 3.33Å; F160-H305 AromaticContact CZ-CD2 3.54Å; F160-H305 AromaticContact CZ-CE1 3.57Å; F160-H305 AromaticContact CZ-NE2 3.28Å; F160-H305 VanDerWaalsContact CZ-NE2 3.28Å; F160-H305 WeakPolarHBondContact CZ-NE2 3.21Å; S161-H305 WeakPolarHBondContact CB-CE1 3.39Å; S161-H305 WeakPolarHBondContact CB-NE2 3.48Å; S161-H305 PolarHBondContact OG-CE1 2.75Å; S161-H305 VanDerWaalsContact OG-CE1 3.32Å; S161-H305 PolarHBondContact OG-NE2 2.66Å; D209-H305 PolarHBondContact O-CE1 2.85Å; D209-H305 WeakPolarHBondContact OD2-CA 3.3Å; D209-H305 IonicContact OD2-CE1 3.84Å; D209-H305 IonicContact OD2-CG 2.75Å; D209-H305 IonicContact OD2-ND1 2.73Å; D209-H305 PolarHBondContact OD2-ND1 3.42Å; Y244-H305 HydrophobicContact CD1-CB 3.58Å; Y244-H305 AromaticContact CD1-CG 3.57Å; Y244-H305 AromaticContact CD1-ND1 3.57Å; Y244-H305 HydrophobicContact CD2-CB 4.31Å; Y244-H305 HydrophobicContact CE1-CB 4.12Å; Y244-H305 AromaticContact CE1-CG 3.84Å; Y244-H305 AromaticContact CE1-ND1 3.98Å; Y244-H305 HydrophobicContact CG-CB 3.7Å; Q245-H305 PolarHBondContact NE2-CE1 3.02Å; S301-H305 PolarHBondContact O-N 2.88Å; L302-H305 HydrophobicContact CD1-CB 3.96Å; L302-H305 VanDerWaalsContact CD1-CD2 3.47Å; L302-H305 WeakPolarHBondContact CD1-CD2 3.12Å; L302-H305 WeakPolarHBondContact O-CB 3.21Å; L302-H305 PolarHBondContact O-N 3.47Å; D303-H305 VanDerWaalsContact C-N 3.28Å; D303-H305 PolarHBondContact O-N 3.06Å; H305-I308 WeakPolarHBondContact O-CG2 3.26Å
306F97.1Very high87.2Confident2 Ų243 Ų431%0.00922%0.223CC..Hα-helixtrans-72.9-35.3177.9-76-71.6000113.5V41 Q42 Y57 W60 F160 L302 D303 I308 L309V41-F306 HydrophobicContact CB-CZ 4.13Å; V41-F306 HydrophobicContact CG1-CZ 4.38Å; Q42-F306 HydrophobicContact CG-CE1 3.69Å; Y57-F306 AromaticContact CD1-CD2 3.56Å; Y57-F306 HydrophobicContact CD1-CD2 3.56Å; Y57-F306 AromaticContact CD1-CE2 3.61Å; Y57-F306 HydrophobicContact CD1-CE2 3.61Å; Y57-F306 AromaticContact CD2-CE2 4Å; Y57-F306 HydrophobicContact CD2-CE2 4Å; Y57-F306 AromaticContact CE1-CD2 3.97Å; Y57-F306 HydrophobicContact CE1-CD2 3.97Å; Y57-F306 HydrophobicContact CE1-CE2 4.08Å; Y57-F306 HydrophobicContact CE2-CE2 4.38Å; Y57-F306 HydrophobicContact CG-CD2 4.02Å; Y57-F306 AromaticContact CG-CE2 3.6Å; Y57-F306 HydrophobicContact CG-CE2 3.6Å; Y57-F306 HydrophobicContact CG-CZ 4.31Å; W60-F306 HydrophobicContact CB-CD1 3.74Å; W60-F306 HydrophobicContact CB-CE1 4.14Å; W60-F306 HydrophobicContact CB-CG 4.34Å; W60-F306 VanDerWaalsContact CD1-CB 3.46Å; W60-F306 AromaticContact CD1-CD1 3.78Å; W60-F306 AromaticContact CD1-CD2 3.98Å; W60-F306 AromaticContact CD1-CG 3.48Å; W60-F306 VanDerWaalsContact CD1-CG 3.48Å; W60-F306 HydrophobicContact CD2-CB 3.82Å; W60-F306 HydrophobicContact CD2-CD1 4.41Å; W60-F306 HydrophobicContact CD2-CG 4.39Å; W60-F306 VanDerWaalsContact CE2-CB 3.45Å; W60-F306 HydrophobicContact CG-CB 3.81Å; W60-F306 AromaticContact CG-CD1 3.73Å; W60-F306 HydrophobicContact CG-CD1 3.73Å; W60-F306 AromaticContact CG-CG 3.86Å; W60-F306 HydrophobicContact CG-CG 3.86Å; W60-F306 HydrophobicContact CZ2-CB 4Å; W60-F306 AromaticContact NE1-CG 3.76Å; F160-F306 AromaticContact CE1-CD1 3.7Å; F160-F306 HydrophobicContact CE1-CD1 3.7Å; F160-F306 AromaticContact CE1-CE1 3.65Å; F160-F306 HydrophobicContact CE1-CE1 3.65Å; F160-F306 AromaticContact CZ-CD1 3.73Å; F160-F306 HydrophobicContact CZ-CD1 3.73Å; F160-F306 HydrophobicContact CZ-CE1 4.08Å; F160-F306 HydrophobicContact CZ-CG 4.33Å; L302-F306 HydrophobicContact CD1-CD2 4.26Å; L302-F306 HydrophobicContact CD1-CE2 3.9Å; L302-F306 HydrophobicContact CD2-CE2 4.28Å; L302-F306 HydrophobicContact CG-CD2 4.1Å; L302-F306 HydrophobicContact CG-CE2 3.81Å; L302-F306 VanDerWaalsContact O-CD2 3.28Å; L302-F306 WeakPolarHBondContact O-CD2 3.28Å; L302-F306 PolarHBondContact O-N 3.24Å; D303-F306 PolarHBondContact O-N 3.26Å; F306-I308 PolarHBondContact O-N 3.3Å; F306-I308 VanDerWaalsContact O-N 3.09Å; F306-L309 HydrophobicContact CD1-CD1 4.47Å; F306-L309 WeakPolarHBondContact O-CB 3.29Å; F306-L309 WeakPolarHBondContact O-CG 3.11Å; F306-L309 PolarHBondContact O-N 3.28Å
307E96.6Very high88.8Confident48 Ų4844.2 Ų44.222%0.22423%0.229CC..Hα-helixtrans-60.7-23.6-177.2-16461.8-141.200111.7K59 W60 F278 D303 Y304 L309 N310 H311K59-E307 IonicContact NZ-OE2 2.78Å; W60-E307 VanDerWaalsContact CZ2-OE2 3.27Å; W60-E307 WeakPolarHBondContact CZ2-OE2 3.41Å; F278-E307 HydrophobicContact CE1-CG 4.3Å; F278-E307 HydrophobicContact CE2-CB 4.17Å; F278-E307 HydrophobicContact CZ-CB 3.87Å; F278-E307 HydrophobicContact CZ-CG 3.78Å; D303-E307 VanDerWaalsContact O-CB 3.27Å; D303-E307 WeakPolarHBondContact O-CB 3.33Å; D303-E307 PolarHBondContact O-N 2.75Å; Y304-E307 PolarHBondContact O-N 3.32Å; E307-L309 PolarHBondContact O-N 3.24Å; E307-N310 WeakPolarHBondContact O-CB 3.49Å; E307-N310 PolarHBondContact O-N 2.95Å; E307-N310 WeakPolarHBondContact OE1-CB 3.44Å; E307-N310 PolarHBondContact OE1-ND2 2.68Å; E307-H311 PolarHBondContact O-CD2 2.81Å
308I95.7Very high90.4Very high0 Ų039.6 Ų39.60%020%0.204CC..G310 helixtrans-51.2-31.2173.1-151.9174.7000113F160 D209 H240 H277 Y304 H305 F306 N310 H311 I312F160-I308 HydrophobicContact CD2-CG2 3.99Å; F160-I308 HydrophobicContact CE2-CG2 3.64Å; D209-I308 HydrophobicContact CB-CD1 3.78Å; D209-I308 HydrophobicContact CB-CG2 4.23Å; H240-I308 HydrophobicContact CB-CD1 3.85Å; H277-I308 HydrophobicContact CB-CG1 4.25Å; Y304-I308 PolarHBondContact O-N 2.77Å; H305-I308 WeakPolarHBondContact O-CG2 3.26Å; F306-I308 PolarHBondContact O-N 3.3Å; F306-I308 VanDerWaalsContact O-N 3.09Å; I308-N310 PolarHBondContact O-N 3.17Å; I308-H311 CarbonylContact O-C 3.54Å; I308-H311 PolarHBondContact O-N 3.12Å; I308-I312 PolarHBondContact O-N 2.93Å
309L97.1Very high91.8Very high0 Ų036.1 Ų36.10%018%0.181CC..G310 helixtrans-62-28.9178.5-64.1173.1000111.9Y36 W60 T65 N68 R72 F160 L208 F306 E307 H311 I312Y36-L309 HydrophobicContact CE2-CD2 4.19Å; W60-L309 HydrophobicContact CE3-CB 4.38Å; W60-L309 HydrophobicContact CE3-CD1 4.06Å; W60-L309 HydrophobicContact CZ3-CB 4.04Å; T65-L309 HydrophobicContact CG2-CD1 4.37Å; N68-L309 PolarHBondContact ND2-O 3.11Å; N68-L309 VanDerWaalsContact ND2-O 3.08Å; R72-L309 WeakPolarHBondContact CD-O 3.43Å; F160-L309 HydrophobicContact CB-CD2 4.16Å; F160-L309 HydrophobicContact CD1-CD1 4.44Å; F160-L309 HydrophobicContact CD2-CD2 3.8Å; F160-L309 HydrophobicContact CD2-CG 4.19Å; F160-L309 HydrophobicContact CE1-CD1 4.38Å; F160-L309 HydrophobicContact CE2-CD2 4.38Å; F160-L309 HydrophobicContact CE2-CG 4.26Å; F160-L309 HydrophobicContact CG-CD2 3.9Å; F160-L309 HydrophobicContact CG-CG 4.47Å; F160-L309 HydrophobicContact CZ-CD1 4.45Å; L208-L309 HydrophobicContact CD1-CD2 4Å; F306-L309 HydrophobicContact CD1-CD1 4.47Å; F306-L309 WeakPolarHBondContact O-CB 3.29Å; F306-L309 WeakPolarHBondContact O-CG 3.11Å; F306-L309 PolarHBondContact O-N 3.28Å; E307-L309 PolarHBondContact O-N 3.24Å; L309-H311 VanDerWaalsContact C-N 3.3Å; L309-I312 HydrophobicContact CD2-CD1 4.09Å; L309-I312 WeakPolarHBondContact O-CD1 3.47Å
310N96.5Very high92.6Very high50 Ų5036.3 Ų36.327%0.26718%0.181SC..G310 helixtrans-81.1-4173.8-76-14.2000114W60 N68 R72 E307 I308W60-N310 VanDerWaalsContact CH2-ND2 3.28Å; W60-N310 WeakPolarHBondContact CH2-ND2 3.07Å; N68-N310 PolarHBondContact ND2-OD1 3.13Å; R72-N310 PolarHBondContact NH1-O 3.13Å; E307-N310 WeakPolarHBondContact O-CB 3.49Å; E307-N310 PolarHBondContact O-N 2.95Å; E307-N310 WeakPolarHBondContact OE1-CB 3.44Å; E307-N310 PolarHBondContact OE1-ND2 2.68Å; I308-N310 PolarHBondContact O-N 3.17Å
311H94.2Very high93Very high78 Ų7837.3 Ų37.336%0.36118%0.183SC..THydrogen-bonded Turntrans-123.36-175.8-67.3-90000113.7H277 F278 E307 I308 L309 M313H277-H311 PolarHBondContact CE1-O 3.32Å; H277-H311 WeakPolarHBondContact ND1-CB 3.2Å; F278-H311 AromaticContact CE1-CD2 3.78Å; F278-H311 AromaticContact CE1-NE2 3.68Å; F278-H311 AromaticContact CZ-CD2 3.45Å; F278-H311 VanDerWaalsContact CZ-CD2 3.45Å; F278-H311 WeakPolarHBondContact CZ-CD2 3.19Å; F278-H311 AromaticContact CZ-NE2 3.82Å; E307-H311 PolarHBondContact O-CD2 2.81Å; I308-H311 CarbonylContact O-C 3.54Å; I308-H311 PolarHBondContact O-N 3.12Å; L309-H311 VanDerWaalsContact C-N 3.3Å; H311-M313 PolarHBondContact O-N 3.49Å
312I89.8Confident93.2Very high0 Ų038 Ų380%018%0.182CC..  trans-57.8130174.9-51.3162.2000109.6L69 R72 L208 I308 L309 F314L69-I312 HydrophobicContact CD2-CD1 3.6Å; R72-I312 PolarHBondContact NE-O 3.47Å; R72-I312 PolarHBondContact NH2-O 3.3Å; L208-I312 HydrophobicContact CD1-CD1 3.29Å; L208-I312 HydrophobicContact CD1-CG1 3.66Å; L208-I312 HydrophobicContact CD2-CG1 4.03Å; L208-I312 HydrophobicContact CD2-CG2 4.21Å; L208-I312 HydrophobicContact CG-CG1 4.49Å; I308-I312 PolarHBondContact O-N 2.93Å; L309-I312 HydrophobicContact CD2-CD1 4.09Å; L309-I312 WeakPolarHBondContact O-CD1 3.47Å; I312-F314 HydrophobicContact CG2-CE1 4.32Å; I312-F314 HydrophobicContact CG2-CE2 4.39Å; I312-F314 HydrophobicContact CG2-CZ 4.26Å
313M85.5Confident93.4Very high87 Ų8738.4 Ų38.443%0.42918%0.183SC..  trans-113.8123.5171.6-65.1-61.9-61.400107.6H311H311-M313 PolarHBondContact O-N 3.49Å
314F89.5Confident93.5Very high13 Ų1333.5 Ų33.56%0.05716%0.155CC..  trans-87.40-176.1-71.4-76.2000113.6L34 L69 R72 F73 Q76 F77 R156 I158 Y206 I312L34-F314 HydrophobicContact CD1-CE1 4.28Å; L34-F314 HydrophobicContact CD1-CZ 4.06Å; L34-F314 HydrophobicContact CD2-CE1 4.42Å; L69-F314 HydrophobicContact CD2-CZ 3.93Å; R72-F314 HydrophobicContact CB-CE2 4.02Å; F73-F314 HydrophobicContact CB-CD2 4Å; F73-F314 HydrophobicContact CB-CE2 3.89Å; F73-F314 HydrophobicContact CB-CZ 4.5Å; F73-F314 HydrophobicContact CD2-CB 3.97Å; F73-F314 AromaticContact CD2-CD1 3.83Å; F73-F314 HydrophobicContact CD2-CD1 3.83Å; F73-F314 AromaticContact CD2-CD2 3.75Å; F73-F314 HydrophobicContact CD2-CD2 3.75Å; F73-F314 HydrophobicContact CD2-CE1 4.18Å; F73-F314 HydrophobicContact CD2-CE2 4.1Å; F73-F314 AromaticContact CD2-CG 3.6Å; F73-F314 HydrophobicContact CD2-CG 3.6Å; F73-F314 HydrophobicContact CD2-CZ 4.3Å; F73-F314 HydrophobicContact CE2-CB 4.16Å; F73-F314 HydrophobicContact CE2-CD1 4.28Å; F73-F314 HydrophobicContact CE2-CG 4.18Å; F73-F314 HydrophobicContact CG-CD2 4.33Å; Q76-F314 PolarHBondContact NE2-O 3.46Å; Q76-F314 PolarHBondContact OE1-O 2.98Å; F77-F314 HydrophobicContact CD2-CB 4.41Å; F77-F314 HydrophobicContact CE2-CB 3.61Å; R156-F314 PolarHBondContact NH1-OXT 3.34Å; I158-F314 HydrophobicContact CD1-CE1 3.62Å; I158-F314 HydrophobicContact CD1-CZ 4.06Å; I158-F314 HydrophobicContact CG1-CE1 4.42Å; Y206-F314 HydrophobicContact CE1-CD1 4.07Å; Y206-F314 HydrophobicContact CE2-CD1 4.22Å; Y206-F314 AromaticContact CZ-CD1 3.81Å; Y206-F314 PolarHBondContact OH-OXT 3.39Å; I312-F314 HydrophobicContact CG2-CE1 4.32Å; I312-F314 HydrophobicContact CG2-CE2 4.39Å; I312-F314 HydrophobicContact CG2-CZ 4.26Å

Retrieved 314 of 314 residues in 434.6 ms (Link to these results)

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