A0A077ZIN5_TRITR Loading...

Serine protease

AlphaFold DB , UniProt , Accession A0A077ZIN5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 486 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
1M46.1Very low74.4Confident179 Ų17980.5 Ų80.588%0.88243%0.432SS*.  01260-71.7166.7173.800107.2
2S50Low75.4Confident74 Ų7477.8 Ų77.852%0.51742%0.415SS..  trans-71.9124.7174.229.90000109.1N143S2-N143 PolarHBondContact O-N 3.39Å; S2-N143 VanDerWaalsContact O-N 3.16Å
3N58.3Low76.6Confident93 Ų9375.8 Ų75.850%0.49741%0.411SS..BIsolated β-bridgetrans-78.5139172.7-169.1-10.6000108.3G5 T141 G183N3-G5 VanDerWaalsContact C-N 3.31Å; N3-G5 PolarHBondContact OD1-N 2.94Å; N3-T141 PolarHBondContact OD1-O 2.93Å; N3-T141 VanDerWaalsContact OD1-O 3.1Å; N3-G183 CarbonylContact O-C 3.29Å; N3-G183 VanDerWaalsContact O-CA 3.24Å; N3-G183 WeakPolarHBondContact O-CA 3.16Å
4V64.8Low77.9Confident20 Ų2071.6 Ų71.612%0.12139%0.388CS..  trans-91.42.8172-61.40000113.5S140 T141 G183 K184 D185 C187V4-S140 WeakPolarHBondContact CG2-O 3.47Å; V4-T141 VanDerWaalsContact CG2-C 3.42Å; V4-T141 WeakPolarHBondContact CG2-O 3.19Å; V4-T141 PolarHBondContact N-O 3.04Å; V4-G183 CarbonylContact C-O 3.5Å; V4-K184 VanDerWaalsContact O-CA 3.29Å; V4-K184 WeakPolarHBondContact O-CA 3.43Å; V4-D185 PolarHBondContact O-N 2.97Å; V4-C187 HydrophobicContact CB-CB 4.37Å; V4-C187 HydrophobicContact CG1-CB 3.56Å; V4-C187 HydrophobicContact CG2-CB 4.2Å
5G71.8Confident79.1Confident22 Ų2267.6 Ų67.623%0.22737%0.367CS..  trans70.5-158.1174.100000112.1N3 G183N3-G5 VanDerWaalsContact C-N 3.31Å; N3-G5 PolarHBondContact OD1-N 2.94Å; G5-G183 WeakPolarHBondContact CA-O 3.41Å; G5-G183 PolarHBondContact N-O 3.15Å
6G83.9Confident80.2Confident32 Ų3269.1 Ų69.133%0.3337%0.365SS..  trans84.4-170.5-177.600000113.9M153G6-M153 CarbonylContact C-O 3.38Å; G6-M153 WeakPolarHBondContact CA-O 3.45Å
7W86.7Confident81.1Confident110 Ų11065.9 Ų65.942%0.41735%0.348SS..EExtended strand (participates in β ladder)trans-155166-178.253.292.2000109.9A9 Y134 M153 D155W7-A9 PolarHBondContact O-N 3.21Å; W7-Y134 HydrophobicContact CZ2-CE1 4.38Å; W7-M153 HydrophobicContact CD2-CG 4.44Å; W7-M153 HydrophobicContact CG-CG 4.5Å; W7-M153 HydrophobicContact CZ2-CG 4.2Å; W7-M153 HydrophobicContact CZ2-SD 4.12Å; W7-M153 PolarHBondContact N-O 3.27Å; W7-M153 PolarHBondContact NE1-SD 2.93Å; W7-M153 VanDerWaalsContact NE1-SD 3.45Å; W7-M153 PolarHBondContact O-N 2.81Å; W7-D155 HydrophobicContact CH2-CB 4.08Å; W7-D155 WeakPolarHBondContact CH2-OD1 3.43Å; W7-D155 VanDerWaalsContact CZ3-OD1 3.3Å; W7-D155 WeakPolarHBondContact CZ3-OD1 3.18Å
8D89.1Confident82Confident96 Ų9662.6 Ų62.651%0.51333%0.331SS..EExtended strand (participates in β ladder)trans-57.1125.3171.8-76.22000109.8T150 Q152D8-T150 HydrophobicContact CB-CG2 4.2Å; D8-Q152 PolarHBondContact OD1-NE2 2.83Å; D8-Q152 PolarHBondContact OD1-OE1 3.09Å
9A90.9Very high82.6Confident3 Ų359.7 Ų59.73%0.02532%0.315CS..PPolyproline II helixtrans-60.3150.1171.200000109.9W7 I14 H69 L151 M153W7-A9 PolarHBondContact O-N 3.21Å; A9-I14 HydrophobicContact CB-CD1 4.22Å; A9-H69 PolarHBondContact O-CE1 3.23Å; A9-L151 HydrophobicContact CB-CB 4.15Å; A9-L151 HydrophobicContact CB-CD2 4.09Å; A9-L151 HydrophobicContact CB-CG 3.85Å; A9-L151 VanDerWaalsContact CB-O 3.25Å; A9-L151 WeakPolarHBondContact CB-O 3.49Å; A9-L151 PolarHBondContact N-O 2.93Å; A9-M153 VanDerWaalsContact CA-CE 3.44Å; A9-M153 HydrophobicContact CB-CE 3.45Å; A9-M153 VanDerWaalsContact CB-CE 3.45Å; A9-M153 HydrophobicContact CB-CG 4.41Å
10Y89.2Confident83Confident172 Ų17257.8 Ų57.868%0.67531%0.305SS*.PPolyproline II helixtrans-65.5144.3168.9-70.3-75000109.4H12 S13Y10-H12 PolarHBondContact O-N 2.92Å; Y10-H12 VanDerWaalsContact O-N 3.1Å; Y10-S13 WeakPolarHBondContact O-CB 3.1Å; Y10-S13 PolarHBondContact O-N 3.37Å; Y10-S13 PolarHBondContact O-OG 3.48Å
11P88.1Confident83Confident85 Ų8556.8 Ų56.855%0.55230%0.297SS*.THydrogen-bonded Turntrans-50.1122.8179.2-29.935.3000112.1S13P11-S13 PolarHBondContact O-N 3.12Å; P11-S13 VanDerWaalsContact O-N 3.13Å
12H85.6Confident84.5Confident48 Ų4849.7 Ų49.722%0.22226%0.263CS..THydrogen-bonded Turntrans57.719.6179.5-42.6-73.4000116.2Y10 I14 G67 E75 T114Y10-H12 PolarHBondContact O-N 2.92Å; Y10-H12 VanDerWaalsContact O-N 3.1Å; H12-I14 PolarHBondContact O-N 2.9Å; H12-G67 PolarHBondContact CE1-O 2.74Å; H12-G67 VanDerWaalsContact CE1-O 3.25Å; H12-G67 PolarHBondContact ND1-O 2.69Å; H12-E75 IonicContact CE1-OE2 3.91Å; H12-E75 PolarHBondContact CE1-OE2 3.12Å; H12-T114 HydrophobicContact CB-CG2 3.41Å; H12-T114 VanDerWaalsContact CB-CG2 3.41Å
13S90.9Very high85.3Confident52 Ų5250.2 Ų50.236%0.36425%0.254SS..  trans-75.7-8.7-179.272.30000114.6Y10 P11 P15Y10-S13 WeakPolarHBondContact O-CB 3.1Å; Y10-S13 PolarHBondContact O-N 3.37Å; Y10-S13 PolarHBondContact O-OG 3.48Å; P11-S13 PolarHBondContact O-N 3.12Å; P11-S13 VanDerWaalsContact O-N 3.13Å; S13-P15 VanDerWaalsContact C-CD 3.49Å; S13-P15 WeakPolarHBondContact O-CD 3.37Å
14I94.9Very high85.3Confident17 Ų1750.5 Ų50.59%0.08725%0.249CC..  trans-125.273.2-178.9-46.3-176000109A9 H12 W16 Q17 S136 L151 M153A9-I14 HydrophobicContact CB-CD1 4.22Å; H12-I14 PolarHBondContact O-N 2.9Å; I14-W16 HydrophobicContact CG2-CD2 4.18Å; I14-W16 HydrophobicContact CG2-CG 4.34Å; I14-W16 HydrophobicContact CG2-CZ2 3.89Å; I14-W16 VanDerWaalsContact CG2-NE1 3.28Å; I14-W16 PolarHBondContact O-N 3.43Å; I14-W16 VanDerWaalsContact O-N 3.17Å; I14-Q17 HydrophobicContact CB-CB 4.21Å; I14-Q17 HydrophobicContact CG2-CB 3.68Å; I14-Q17 WeakPolarHBondContact O-CB 3.33Å; I14-Q17 PolarHBondContact O-N 3.07Å; I14-Q17 VanDerWaalsContact O-N 3.1Å; I14-S136 VanDerWaalsContact CD1-CB 3.41Å; I14-L151 HydrophobicContact CB-CD2 4.1Å; I14-L151 HydrophobicContact CD1-CD2 4.22Å; I14-L151 HydrophobicContact CG1-CD2 4.35Å; I14-M153 HydrophobicContact CD1-CB 4.1Å; I14-M153 HydrophobicContact CD1-CE 3.71Å; I14-M153 HydrophobicContact CG1-CE 4.08Å
15P95.6Very high84.8Confident11 Ų1154.9 Ų54.97%0.07127%0.272CS..THydrogen-bonded Turntrans-72.1-10.7-167.329.5-37.1000114.4S13 T114 I115 M116S13-P15 VanDerWaalsContact C-CD 3.49Å; S13-P15 WeakPolarHBondContact O-CD 3.37Å; P15-T114 VanDerWaalsContact CA-O 3.31Å; P15-T114 WeakPolarHBondContact CA-O 3.5Å; P15-T114 VanDerWaalsContact CB-C 3.43Å; P15-T114 WeakPolarHBondContact CB-O 3.26Å; P15-I115 WeakPolarHBondContact O-CA 3.38Å; P15-M116 CarbonylContact C-O 3.45Å; P15-M116 HydrophobicContact CB-CB 3.99Å; P15-M116 HydrophobicContact CB-CE 4.18Å; P15-M116 HydrophobicContact CB-CG 4.29Å; P15-M116 HydrophobicContact CG-CB 3.93Å; P15-M116 HydrophobicContact CG-CE 3.55Å; P15-M116 HydrophobicContact CG-CG 4.37Å; P15-M116 PolarHBondContact O-N 2.88Å; P15-M116 VanDerWaalsContact O-N 3.1Å
16W97Very high83.6Confident91 Ų9155.9 Ų55.935%0.34528%0.281SS..THydrogen-bonded Turntrans-90.5-15.3173.452.881.8000113.6I14 V18 S35 L36 M116 V118I14-W16 HydrophobicContact CG2-CD2 4.18Å; I14-W16 HydrophobicContact CG2-CG 4.34Å; I14-W16 HydrophobicContact CG2-CZ2 3.89Å; I14-W16 VanDerWaalsContact CG2-NE1 3.28Å; I14-W16 PolarHBondContact O-N 3.43Å; I14-W16 VanDerWaalsContact O-N 3.17Å; W16-V18 PolarHBondContact O-N 3.17Å; W16-S35 WeakPolarHBondContact O-CA 3.31Å; W16-L36 PolarHBondContact O-N 2.65Å; W16-M116 WeakPolarHBondContact CA-O 3.3Å; W16-M116 VanDerWaalsContact CB-O 3.23Å; W16-M116 WeakPolarHBondContact CB-O 3.35Å; W16-M116 PolarHBondContact N-O 3.16Å; W16-V118 HydrophobicContact CB-CB 3.77Å; W16-V118 HydrophobicContact CB-CG1 4.31Å; W16-V118 HydrophobicContact CD2-CB 3.99Å; W16-V118 HydrophobicContact CD2-CG2 4.27Å; W16-V118 HydrophobicContact CE3-CB 4.48Å; W16-V118 HydrophobicContact CG-CB 3.66Å; W16-V118 HydrophobicContact CG-CG1 4.4Å; W16-V118 HydrophobicContact CG-CG2 4.32Å
17Q96.6Very high81.8Confident15 Ų1557.1 Ų57.17%0.0728%0.28CS..EExtended strand (participates in β ladder)trans-72.5122.5179.617966.365.300109.4I14 G34 S136 W138 L151I14-Q17 HydrophobicContact CB-CB 4.21Å; I14-Q17 HydrophobicContact CG2-CB 3.68Å; I14-Q17 WeakPolarHBondContact O-CB 3.33Å; I14-Q17 PolarHBondContact O-N 3.07Å; I14-Q17 VanDerWaalsContact O-N 3.1Å; Q17-G34 PolarHBondContact NE2-O 2.82Å; Q17-G34 VanDerWaalsContact NE2-O 3.1Å; Q17-S136 PolarHBondContact OE1-O 3.1Å; Q17-S136 PolarHBondContact OE1-OG 3.1Å; Q17-W138 HydrophobicContact CG-CH2 3.73Å; Q17-W138 HydrophobicContact CG-CZ3 3.56Å; Q17-L151 HydrophobicContact CB-CD2 4.44Å; Q17-L151 HydrophobicContact CG-CD1 3.78Å; Q17-L151 HydrophobicContact CG-CD2 4.34Å
18V96.1Very high80.1Confident6 Ų652.9 Ų52.94%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-118156.7176.4-56.60000111.2W16 L20 G34 L36 V64 L65 F66W16-V18 PolarHBondContact O-N 3.17Å; V18-L20 HydrophobicContact CG2-CD2 4.38Å; V18-G34 VanDerWaalsContact CG2-O 3.29Å; V18-G34 WeakPolarHBondContact CG2-O 3.41Å; V18-G34 PolarHBondContact N-O 2.88Å; V18-G34 PolarHBondContact O-N 2.88Å; V18-L36 HydrophobicContact CG1-CB 4.13Å; V18-V64 HydrophobicContact CB-CG1 3.65Å; V18-V64 HydrophobicContact CG1-CG1 4.11Å; V18-V64 HydrophobicContact CG2-CG1 3.66Å; V18-L65 WeakPolarHBondContact CA-O 3.42Å; V18-L65 WeakPolarHBondContact CB-O 3.43Å; V18-F66 HydrophobicContact CB-CD1 4.41Å; V18-F66 HydrophobicContact CB-CE1 4.49Å; V18-F66 HydrophobicContact CG1-CD1 3.31Å; V18-F66 HydrophobicContact CG1-CE1 3.54Å; V18-F66 HydrophobicContact CG1-CG 4.18Å
19R93.3Very high78.7Confident9 Ų949.5 Ų49.53%0.03425%0.25CS..EExtended strand (participates in β ladder)trans-108.8126170.5-176.5171.5179.4147.8-3109.6Y21 Y31 L65 W138R19-Y21 HydrophobicContact CB-CE2 4.21Å; R19-Y21 HydrophobicContact CG-CD2 4.26Å; R19-Y21 HydrophobicContact CG-CE2 3.74Å; R19-Y31 VanDerWaalsContact NH2-CD2 3.31Å; R19-L65 HydrophobicContact CB-CB 4.33Å; R19-L65 PolarHBondContact N-O 2.86Å; R19-L65 PolarHBondContact O-N 2.99Å; R19-W138 HydrophobicContact CB-CE3 4.01Å; R19-W138 HydrophobicContact CB-CH2 4.42Å; R19-W138 HydrophobicContact CB-CZ3 3.83Å; R19-W138 HydrophobicContact CG-CE3 4.45Å
20L90.4Very high77.6Confident21 Ų2154.3 Ų54.311%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-90.1134173.6-54.1179.6000109.1V18 L22 Y31 C32 E63 V64 L103V18-L20 HydrophobicContact CG2-CD2 4.38Å; L20-L22 HydrophobicContact CB-CD1 3.99Å; L20-Y31 WeakPolarHBondContact O-CA 3.41Å; L20-C32 HydrophobicContact CB-CB 4.2Å; L20-C32 WeakPolarHBondContact CB-O 3.06Å; L20-C32 HydrophobicContact CD1-CB 4.04Å; L20-C32 HydrophobicContact CG-CB 4.48Å; L20-C32 PolarHBondContact N-O 2.66Å; L20-C32 PolarHBondContact O-N 2.82Å; L20-E63 CarbonylContact C-O 3.53Å; L20-E63 WeakPolarHBondContact CA-O 3.23Å; L20-V64 HydrophobicContact CD2-CB 4.18Å; L20-V64 HydrophobicContact CD2-CG1 3.9Å; L20-V64 HydrophobicContact CD2-CG2 3.59Å; L20-L103 HydrophobicContact CD1-CD1 3.86Å; L20-L103 HydrophobicContact CD2-CD1 3.73Å; L20-L103 HydrophobicContact CG-CD1 4.47Å
21Y84.2Confident77Confident36 Ų3649.1 Ų49.114%0.14125%0.247CC..EExtended strand (participates in β ladder)trans-111.2110170.1-70.3-106.8000107.6R19 Y23 P29 Y31 I62 E63 L65R19-Y21 HydrophobicContact CB-CE2 4.21Å; R19-Y21 HydrophobicContact CG-CD2 4.26Å; R19-Y21 HydrophobicContact CG-CE2 3.74Å; Y21-Y23 VanDerWaalsContact CB-CE2 3.44Å; Y21-Y23 HydrophobicContact CG-CE2 4.44Å; Y21-P29 HydrophobicContact CD1-CG 4.49Å; Y21-Y31 AromaticContact CD1-CD1 3.72Å; Y21-Y31 HydrophobicContact CD1-CD1 3.72Å; Y21-Y31 AromaticContact CD1-CE1 3.32Å; Y21-Y31 HydrophobicContact CD1-CE1 3.32Å; Y21-Y31 AromaticContact CE1-CD1 3.82Å; Y21-Y31 HydrophobicContact CE1-CD1 3.82Å; Y21-Y31 AromaticContact CE1-CE1 3.35Å; Y21-Y31 HydrophobicContact CE1-CE1 3.35Å; Y21-Y31 HydrophobicContact CG-CD1 4.13Å; Y21-Y31 HydrophobicContact CG-CE1 4.17Å; Y21-I62 CarbonylContact O-C 3.53Å; Y21-I62 VanDerWaalsContact O-CA 3.3Å; Y21-I62 WeakPolarHBondContact O-CA 3.26Å; Y21-E63 PolarHBondContact N-O 3.26Å; Y21-E63 PolarHBondContact O-N 2.79Å; Y21-L65 HydrophobicContact CD2-CB 4.27Å; Y21-L65 HydrophobicContact CE2-CB 3.75Å; Y21-L65 HydrophobicContact CE2-CD2 3.91Å; Y21-L65 HydrophobicContact CE2-CG 4.46Å
22L76.4Confident76.9Confident31 Ų3148.2 Ų48.216%0.16224%0.242CC..EExtended strand (participates in β ladder)trans-101.693.8178.2-59.389.8000108.8L20 Y24 P29 R30 C32 N61 I62L20-L22 HydrophobicContact CB-CD1 3.99Å; L22-Y24 HydrophobicContact CB-CE2 3.96Å; L22-Y24 WeakPolarHBondContact O-CD2 3.1Å; L22-P29 CarbonylContact O-C 3.35Å; L22-P29 WeakPolarHBondContact O-CA 3.43Å; L22-R30 HydrophobicContact CB-CB 4.23Å; L22-R30 HydrophobicContact CD1-CB 4.5Å; L22-R30 WeakPolarHBondContact CD1-O 3.12Å; L22-R30 PolarHBondContact N-O 3.04Å; L22-R30 PolarHBondContact O-N 3.28Å; L22-C32 HydrophobicContact CD1-CB 4.29Å; L22-N61 CarbonylContact C-O 3.48Å; L22-N61 WeakPolarHBondContact CA-O 3.21Å; L22-I62 HydrophobicContact CG-CG1 4.43Å
23Y67.8Low77.1Confident85 Ų8548.3 Ų48.333%0.33326%0.256SS..  trans-74.1127.1174.3-57.8-86.6000109.7Y21 P29 N61 E63Y21-Y23 VanDerWaalsContact CB-CE2 3.44Å; Y21-Y23 HydrophobicContact CG-CE2 4.44Å; Y23-P29 HydrophobicContact CD1-CB 3.67Å; Y23-P29 HydrophobicContact CD1-CG 3.89Å; Y23-P29 HydrophobicContact CE1-CB 3.75Å; Y23-P29 HydrophobicContact CE1-CG 3.64Å; Y23-P29 HydrophobicContact CG-CB 4.15Å; Y23-N61 WeakPolarHBondContact CD2-O 3.31Å; Y23-N61 PolarHBondContact N-O 3.47Å; Y23-N61 WeakPolarHBondContact O-CB 3.43Å; Y23-N61 PolarHBondContact O-ND2 2.87Å; Y23-E63 HydrophobicContact CE2-CB 3.84Å
24Y58.7Low77.2Confident98 Ų9846.8 Ų46.838%0.38425%0.248SC..  trans-110.2140.4166.9-63.8-88.6000106.4L22 G26 L27 R30L22-Y24 HydrophobicContact CB-CE2 3.96Å; L22-Y24 WeakPolarHBondContact O-CD2 3.1Å; Y24-G26 PolarHBondContact O-N 3.41Å; Y24-G26 VanDerWaalsContact O-N 3.09Å; Y24-L27 HydrophobicContact CG-CD1 4.3Å; Y24-L27 PolarHBondContact O-N 2.76Å; Y24-R30 HydrophobicContact CD2-CG 4.38Å; Y24-R30 HydrophobicContact CE2-CB 4.36Å; Y24-R30 HydrophobicContact CE2-CG 3.88Å
25D53.2Low77.3Confident113 Ų11349.6 Ų49.660%0.60427%0.269SS*.THydrogen-bonded Turntrans-56.1120.2-173.8-64.2-14.4000110L27 N61D25-L27 VanDerWaalsContact C-N 3.31Å; D25-L27 PolarHBondContact O-N 3.03Å; D25-N61 PolarHBondContact OD1-ND2 3.17Å; D25-N61 VanDerWaalsContact OD1-ND2 3.1Å
26G46.6Very low77.3Confident42 Ų4249.9 Ų49.943%0.43327%0.27SS..THydrogen-bonded Turntrans80.7-6.3-175.600000116Y24 Y233Y24-G26 PolarHBondContact O-N 3.41Å; Y24-G26 VanDerWaalsContact O-N 3.09Å; G26-Y233 PolarHBondContact O-OH 2.83Å
27L45.8Very low77.2Confident58 Ų5847.9 Ų47.930%0.30427%0.266SS..SBendtrans-108.5154.2-173.9-34.2-173.7000111.9Y24 D25 E280 V297Y24-L27 HydrophobicContact CG-CD1 4.3Å; Y24-L27 PolarHBondContact O-N 2.76Å; D25-L27 VanDerWaalsContact C-N 3.31Å; D25-L27 PolarHBondContact O-N 3.03Å; L27-E280 WeakPolarHBondContact CA-OE1 3.39Å; L27-E280 WeakPolarHBondContact CB-OE2 3.3Å; L27-E280 VanDerWaalsContact CD1-OE2 3.23Å; L27-E280 WeakPolarHBondContact CD1-OE2 3.27Å; L27-E280 HydrophobicContact CD2-CB 4.27Å; L27-E280 HydrophobicContact CD2-CG 4.37Å; L27-E280 WeakPolarHBondContact CD2-OE2 3.45Å; L27-E280 WeakPolarHBondContact CG-OE2 3.4Å; L27-V297 HydrophobicContact CB-CG1 4.34Å
28T51.2Low76.8Confident22 Ų2254.5 Ų54.514%0.13529%0.29CS..PPolyproline II helixtrans-61.7135.4168.7-590000109.9F291 R295 V297T28-F291 HydrophobicContact CG2-CD2 3.64Å; T28-F291 HydrophobicContact CG2-CE2 3.47Å; T28-F291 VanDerWaalsContact CG2-CE2 3.47Å; T28-R295 PolarHBondContact OG1-NE 3.38Å; T28-R295 PolarHBondContact OG1-NH2 2.88Å; T28-V297 HydrophobicContact CG2-CG2 4.38Å; T28-V297 WeakPolarHBondContact OG1-CG2 3.38Å
29P61.1Low76.2Confident25 Ų2557.7 Ų57.716%0.16231%0.307CS..PPolyproline II helixtrans-61.3139.1-178.221-31.7000112.2Y21 L22 Y23 Y31Y21-P29 HydrophobicContact CD1-CG 4.49Å; L22-P29 CarbonylContact O-C 3.35Å; L22-P29 WeakPolarHBondContact O-CA 3.43Å; Y23-P29 HydrophobicContact CD1-CB 3.67Å; Y23-P29 HydrophobicContact CD1-CG 3.89Å; Y23-P29 HydrophobicContact CE1-CB 3.75Å; Y23-P29 HydrophobicContact CE1-CG 3.64Å; Y23-P29 HydrophobicContact CG-CB 4.15Å; P29-Y31 HydrophobicContact CB-CE1 4.19Å; P29-Y31 HydrophobicContact CG-CE1 4.1Å; P29-Y31 WeakPolarHBondContact O-CE2 3.21Å; P29-Y31 VanDerWaalsContact O-CZ 3.32Å
30R66.9Low75.2Confident104 Ų10461.1 Ų61.139%0.39233%0.326SS..EExtended strand (participates in β ladder)trans-81.4155.2167.1-61.1-175-176.3-167.5-0.2109.7L22 Y24 R324L22-R30 HydrophobicContact CB-CB 4.23Å; L22-R30 HydrophobicContact CD1-CB 4.5Å; L22-R30 WeakPolarHBondContact CD1-O 3.12Å; L22-R30 PolarHBondContact N-O 3.04Å; L22-R30 PolarHBondContact O-N 3.28Å; Y24-R30 HydrophobicContact CD2-CG 4.38Å; Y24-R30 HydrophobicContact CE2-CB 4.36Å; Y24-R30 HydrophobicContact CE2-CG 3.88Å; R30-R324 VanDerWaalsContact NE-NH2 3.14Å; R30-R324 VanDerWaalsContact NH2-NE 3.13Å
31Y77.3Confident73.8Confident63 Ų6367.5 Ų67.525%0.24736%0.36CS..EExtended strand (participates in β ladder)trans-120.7141.2177.6-41.9-73.4000111.8R19 L20 Y21 P29 F291R19-Y31 VanDerWaalsContact NH2-CD2 3.31Å; L20-Y31 WeakPolarHBondContact O-CA 3.41Å; Y21-Y31 AromaticContact CD1-CD1 3.72Å; Y21-Y31 HydrophobicContact CD1-CD1 3.72Å; Y21-Y31 AromaticContact CD1-CE1 3.32Å; Y21-Y31 HydrophobicContact CD1-CE1 3.32Å; Y21-Y31 AromaticContact CE1-CD1 3.82Å; Y21-Y31 HydrophobicContact CE1-CD1 3.82Å; Y21-Y31 AromaticContact CE1-CE1 3.35Å; Y21-Y31 HydrophobicContact CE1-CE1 3.35Å; Y21-Y31 HydrophobicContact CG-CD1 4.13Å; Y21-Y31 HydrophobicContact CG-CE1 4.17Å; P29-Y31 HydrophobicContact CB-CE1 4.19Å; P29-Y31 HydrophobicContact CG-CE1 4.1Å; P29-Y31 WeakPolarHBondContact O-CE2 3.21Å; P29-Y31 VanDerWaalsContact O-CZ 3.32Å; Y31-F291 HydrophobicContact CD2-CZ 4.44Å; Y31-F291 AromaticContact CE2-CE1 3.8Å; Y31-F291 HydrophobicContact CE2-CE1 3.8Å; Y31-F291 AromaticContact CE2-CE2 3.73Å; Y31-F291 HydrophobicContact CE2-CE2 3.73Å; Y31-F291 AromaticContact CE2-CZ 3.25Å; Y31-F291 HydrophobicContact CE2-CZ 3.25Å; Y31-F291 AromaticContact CZ-CE1 3.88Å; Y31-F291 AromaticContact CZ-CE2 3.75Å; Y31-F291 AromaticContact CZ-CZ 3.57Å; Y31-F291 WeakPolarHBondContact OH-CD2 3.09Å; Y31-F291 WeakPolarHBondContact OH-CE1 3.21Å; Y31-F291 WeakPolarHBondContact OH-CE2 3.35Å; Y31-F291 WeakPolarHBondContact OH-CG 3.42Å; Y31-F291 WeakPolarHBondContact OH-CZ 3.24Å
32C85.1Confident72.3Confident65 Ų6572.9 Ų72.944%0.43939%0.391SS..EExtended strand (participates in β ladder)trans-136.8155.6170.8-63.70000109L20 L22L20-C32 HydrophobicContact CB-CB 4.2Å; L20-C32 WeakPolarHBondContact CB-O 3.06Å; L20-C32 HydrophobicContact CD1-CB 4.04Å; L20-C32 HydrophobicContact CG-CB 4.48Å; L20-C32 PolarHBondContact N-O 2.66Å; L20-C32 PolarHBondContact O-N 2.82Å; L22-C32 HydrophobicContact CD1-CB 4.29Å
33G90.1Very high71.1Confident51 Ų5176.2 Ų76.253%0.52641%0.409SS..EExtended strand (participates in β ladder)trans-75.1156.8164.100000110.6
34G93.8Very high70.2Confident19 Ų1977.6 Ų77.620%0.19642%0.422CS..EExtended strand (participates in β ladder)trans-148.9170.716500000110.4Q17 V18Q17-G34 PolarHBondContact NE2-O 2.82Å; Q17-G34 VanDerWaalsContact NE2-O 3.1Å; V18-G34 VanDerWaalsContact CG2-O 3.29Å; V18-G34 WeakPolarHBondContact CG2-O 3.41Å; V18-G34 PolarHBondContact N-O 2.88Å; V18-G34 PolarHBondContact O-N 2.88Å
35S95.5Very high69.3Low76 Ų7679.5 Ų79.553%0.53144%0.439SS..EExtended strand (participates in β ladder)trans-117.8127.5175-56.50000109.4W16W16-S35 WeakPolarHBondContact O-CA 3.31Å
36L96.2Very high68.8Low17 Ų1779.4 Ų79.49%0.08944%0.439CS..  trans-71127.7168.517659.5000108.7W16 V18 F66 V109 F111 I115 P117 V118W16-L36 PolarHBondContact O-N 2.65Å; V18-L36 HydrophobicContact CG1-CB 4.13Å; L36-F66 HydrophobicContact CB-CE1 4.47Å; L36-F66 HydrophobicContact CD1-CE1 4.02Å; L36-F66 HydrophobicContact CD2-CD1 4.16Å; L36-F66 HydrophobicContact CD2-CE1 4.35Å; L36-V109 HydrophobicContact CD1-CG1 4.21Å; L36-V109 HydrophobicContact CD2-CG1 4Å; L36-F111 HydrophobicContact CD2-CD1 4.46Å; L36-F111 HydrophobicContact CD2-CE1 4.09Å; L36-I115 HydrophobicContact CD2-CG2 3.59Å; L36-P117 HydrophobicContact CG-CB 4.35Å; L36-P117 CarbonylContact O-C 3.51Å; L36-P117 VanDerWaalsContact O-CA 3.26Å; L36-P117 WeakPolarHBondContact O-CA 2.92Å; L36-V118 PolarHBondContact O-N 2.79Å
37I94.4Very high68.6Low49 Ų4981 Ų8125%0.25146%0.455SS..BIsolated β-bridgetrans-127.5159.9177.158.9164.8000109.6L39 L102 V118 L120I37-L39 HydrophobicContact CD1-CD1 4.5Å; I37-L39 HydrophobicContact CD1-CD2 4.36Å; I37-L39 HydrophobicContact CD1-CG 4.27Å; I37-L102 HydrophobicContact CD1-CD1 3.82Å; I37-V118 HydrophobicContact CG2-CG1 3.98Å; I37-L120 HydrophobicContact CD1-CD1 4.01Å; I37-L120 HydrophobicContact CG2-CD2 3.94Å; I37-L120 HydrophobicContact CG2-CG 4.22Å
38R89.8Confident68.4Low154 Ų15481.8 Ų81.858%0.58146%0.462SS*.  trans-116129.5168.7175.9178.1167.6167.4-0.4107.6D40 F111 P117R38-D40 IonicContact CZ-OD1 3.36Å; R38-D40 IonicContact NE-OD1 2.93Å; R38-D40 PolarHBondContact NE-OD1 3.14Å; R38-D40 IonicContact NH2-OD1 2.94Å; R38-D40 PolarHBondContact NH2-OD1 3.34Å; R38-F111 HydrophobicContact CB-CZ 4.49Å; R38-P117 HydrophobicContact CB-CB 4.01Å; R38-P117 HydrophobicContact CB-CG 4.04Å
39L82.7Confident67.6Low73 Ų7384.7 Ų84.738%0.38250%0.496SS..  trans-108.5132.5167.5-63.3173.6000105.8I37 D43 L102 L120I37-L39 HydrophobicContact CD1-CD1 4.5Å; I37-L39 HydrophobicContact CD1-CD2 4.36Å; I37-L39 HydrophobicContact CD1-CG 4.27Å; L39-D43 HydrophobicContact CB-CB 4.44Å; L39-D43 HydrophobicContact CD2-CB 4.48Å; L39-L102 HydrophobicContact CD1-CD1 4.4Å; L39-L102 HydrophobicContact CD1-CD2 4.17Å; L39-L120 HydrophobicContact CD2-CD1 3.73Å
40D71.8Confident66.5Low81 Ų8190 Ų9043%0.43352%0.523SS..  trans-82154.8172.9-70.4-40.9000108.6R38 D42 D43R38-D40 IonicContact CZ-OD1 3.36Å; R38-D40 IonicContact NE-OD1 2.93Å; R38-D40 PolarHBondContact NE-OD1 3.14Å; R38-D40 IonicContact NH2-OD1 2.94Å; R38-D40 PolarHBondContact NH2-OD1 3.34Å; D40-D42 PolarHBondContact O-N 2.85Å; D40-D43 PolarHBondContact N-OD2 3.25Å; D40-D43 WeakPolarHBondContact O-CB 3.48Å; D40-D43 PolarHBondContact O-N 3.13Å
41D61.4Low65.2Low156 Ų15693.3 Ų93.383%0.83454%0.543SS*.G310 helixtrans-57.9-20.1-172.2-70.2-42.6000113.3D43D41-D43 VanDerWaalsContact C-N 3.34Å
42D52.2Low63.7Low148 Ų14894.2 Ų94.279%0.79156%0.555SS**G310 helixtrans-76-16.7176.6-65.2-37.8000113.5D40D40-D42 PolarHBondContact O-N 2.85Å
43D52.4Low61.8Low101 Ų101100.5 Ų100.554%0.5457%0.57SS.*G310 helixtrans-81.9-10.6-178.6-68.3-42.4000113.5L39 D40 D41 D45L39-D43 HydrophobicContact CB-CB 4.44Å; L39-D43 HydrophobicContact CD2-CB 4.48Å; D40-D43 PolarHBondContact N-OD2 3.25Å; D40-D43 WeakPolarHBondContact O-CB 3.48Å; D40-D43 PolarHBondContact O-N 3.13Å; D41-D43 VanDerWaalsContact C-N 3.34Å; D43-D45 VanDerWaalsContact C-N 3.26Å; D43-D45 PolarHBondContact O-N 3.01Å
44D47.1Very low59.7Low114 Ų114100.7 Ų100.761%0.6156%0.555SS**G310 helixtrans-76.1-13.7177.4-97.4-21.6000112.4
45D40.3Very low57.5Low139 Ų139104.7 Ų104.774%0.74357%0.565SS**  trans-101.362179.6-154.622.9000111.4D43 G47D43-D45 VanDerWaalsContact C-N 3.26Å; D43-D45 PolarHBondContact O-N 3.01Å; D45-G47 VanDerWaalsContact C-N 3.27Å; D45-G47 PolarHBondContact O-N 3.37Å
46D43.6Very low55Low111 Ų111108 Ų10859%0.59458%0.577SS**  trans-61.1100.5155.6174-8.1000106T48D46-T48 CarbonylContact O-C 3.59Å; D46-T48 PolarHBondContact O-N 3.04Å; D46-T48 WeakPolarHBondContact OD1-CB 3.46Å; D46-T48 VanDerWaalsContact OD1-CG2 3.3Å; D46-T48 WeakPolarHBondContact OD1-CG2 3.35Å; D46-T48 PolarHBondContact OD1-N 3.31Å; D46-T48 PolarHBondContact OD1-OG1 3.1Å; D46-T48 PolarHBondContact OD2-OG1 3.01Å
47G43.1Very low52.6Low74 Ų74111.1 Ų111.176%0.76360%0.597SS**SBendtrans-55.29179.800000115.6D45D45-G47 VanDerWaalsContact C-N 3.27Å; D45-G47 PolarHBondContact O-N 3.37Å
48T39.8Very low50.5Low75 Ų75118.7 Ų118.746%0.4662%0.622SS.*SBendtrans-79.2111.1155.468.10000109.6D46 N50D46-T48 CarbonylContact O-C 3.59Å; D46-T48 PolarHBondContact O-N 3.04Å; D46-T48 WeakPolarHBondContact OD1-CB 3.46Å; D46-T48 VanDerWaalsContact OD1-CG2 3.3Å; D46-T48 WeakPolarHBondContact OD1-CG2 3.35Å; D46-T48 PolarHBondContact OD1-N 3.31Å; D46-T48 PolarHBondContact OD1-OG1 3.1Å; D46-T48 PolarHBondContact OD2-OG1 3.01Å; T48-N50 PolarHBondContact O-N 3.17Å
49G35.1Very low48.9Very low83 Ų83111.9 Ų111.986%0.85660%0.598SS**  trans-60.121.8175.600000116.4Q51G49-Q51 PolarHBondContact O-N 3.22Å; G49-Q51 VanDerWaalsContact O-N 3.14Å
50N38Very low47.6Very low137 Ų137118.2 Ų118.273%0.73362%0.617SS**  trans-73.592.5162.5-86.9-18.6000108.6T48 T52T48-N50 PolarHBondContact O-N 3.17Å; N50-T52 PolarHBondContact O-N 3.1Å
51Q38.8Very low47.6Very low173 Ų173116.6 Ų116.681%0.80861%0.608SS**  trans-39.5110.9163.2-72.2-178.2-2.600109.3G49 R53G49-Q51 PolarHBondContact O-N 3.22Å; G49-Q51 VanDerWaalsContact O-N 3.14Å; Q51-R53 PolarHBondContact O-N 3.11Å
52T46Very low48.7Very low82 Ų82110.4 Ų110.450%0.50358%0.575SS.*  trans-56101.9172.725.30000107.1N50 Y54 N87N50-T52 PolarHBondContact O-N 3.1Å; T52-Y54 VanDerWaalsContact C-N 3.25Å; T52-Y54 VanDerWaalsContact O-CD2 3.27Å; T52-Y54 WeakPolarHBondContact O-CD2 3.48Å; T52-Y54 PolarHBondContact O-N 2.79Å; T52-N87 WeakPolarHBondContact CG2-ND2 2.87Å
53R45.9Very low50.5Low197 Ų197106.1 Ų106.174%0.74355%0.55SS**  trans-7383.6-178.2-81.2-172.5178.8-177.51.6109Q51 Y55Q51-R53 PolarHBondContact O-N 3.11Å; R53-Y55 PolarHBondContact O-N 2.85Å
54Y46.1Very low52.4Low55 Ų55101.5 Ų101.522%0.21653%0.525CS..  trans-60.2121.5166-70.6-83.1000109.1T52 N56 K85 N87T52-Y54 VanDerWaalsContact C-N 3.25Å; T52-Y54 VanDerWaalsContact O-CD2 3.27Å; T52-Y54 WeakPolarHBondContact O-CD2 3.48Å; T52-Y54 PolarHBondContact O-N 2.79Å; Y54-N56 PolarHBondContact O-N 3.02Å; Y54-K85 HydrophobicContact CD1-CB 4.35Å; Y54-K85 HydrophobicContact CD1-CD 3.58Å; Y54-K85 HydrophobicContact CD1-CG 3.84Å; Y54-K85 HydrophobicContact CD2-CD 4.32Å; Y54-K85 HydrophobicContact CE1-CD 4.04Å; Y54-K85 HydrophobicContact CE1-CG 4.33Å; Y54-K85 HydrophobicContact CG-CD 3.73Å; Y54-K85 HydrophobicContact CG-CG 4.41Å; Y54-N87 HydrophobicContact CD1-CB 3.88Å; Y54-N87 HydrophobicContact CE1-CB 3.87Å
55Y48.1Very low54.7Low104 Ų10496.6 Ų96.641%0.40850%0.499SS..BIsolated β-bridgetrans-75.8117.4175-70.5-83.8000108.9R53 T57 Y86 R88R53-Y55 PolarHBondContact O-N 2.85Å; Y55-T57 PolarHBondContact O-N 3.34Å; Y55-Y86 PolarHBondContact N-O 2.77Å; Y55-R88 HydrophobicContact CE2-CG 4.36Å
56N42.8Very low57.3Low144 Ų14490.1 Ų90.177%0.7746%0.464SS*.  trans-80.421.1177.7-98.3-15.1000113.4Y54 R58Y54-N56 PolarHBondContact O-N 3.02Å; N56-R58 PolarHBondContact O-N 2.86Å
57T45.7Very low59.7Low83 Ų8385.1 Ų85.151%0.50944%0.439SS..SBendtrans-69.982.7176.239.20000109.3Y55 P59 Y86Y55-T57 PolarHBondContact O-N 3.34Å; T57-P59 VanDerWaalsContact O-CD 3.22Å; T57-P59 WeakPolarHBondContact O-CD 3.39Å; T57-Y86 PolarHBondContact OG1-OH 2.8Å
58R50.3Low62Low208 Ų20881.9 Ų81.979%0.78541%0.405SS*.  trans3.778.6172.6-66.7-179.6178.8168.20.4113.8N56 R60N56-R58 PolarHBondContact O-N 2.86Å; R58-R60 PolarHBondContact O-N 2.86Å
59P55Low64.4Low11 Ų1179.3 Ų79.37%0.07139%0.388CS..G310 helixtrans-79.431.7-179.433.1-34.5000111.8T57 N61 I62 V83 K84 Y86T57-P59 VanDerWaalsContact O-CD 3.22Å; T57-P59 WeakPolarHBondContact O-CD 3.39Å; P59-N61 PolarHBondContact O-N 2.81Å; P59-I62 HydrophobicContact CB-CD1 4.41Å; P59-I62 PolarHBondContact O-N 2.83Å; P59-V83 HydrophobicContact CB-CB 4.38Å; P59-V83 HydrophobicContact CB-CG1 4.18Å; P59-V83 HydrophobicContact CG-CG1 4.25Å; P59-K84 WeakPolarHBondContact CG-O 3.42Å; P59-Y86 HydrophobicContact CB-CD1 4.01Å; P59-Y86 HydrophobicContact CB-CE1 4.24Å; P59-Y86 HydrophobicContact CG-CD1 4.35Å
60R56.2Low67Low206 Ų20676.7 Ų76.778%0.77735%0.354SS*.G310 helixtrans-57.3-9.9171.2-69.1-170.4-179.5-176.3-0.2112.7R58R58-R60 PolarHBondContact O-N 2.86Å
61N72.3Confident69.3Low47 Ų4770.9 Ų70.925%0.25132%0.323SS..G310 helixtrans-97.50.2-174.8-78.145.6000112.6L22 Y23 D25 P59L22-N61 CarbonylContact C-O 3.48Å; L22-N61 WeakPolarHBondContact CA-O 3.21Å; Y23-N61 WeakPolarHBondContact CD2-O 3.31Å; Y23-N61 PolarHBondContact N-O 3.47Å; Y23-N61 WeakPolarHBondContact O-CB 3.43Å; Y23-N61 PolarHBondContact O-ND2 2.87Å; D25-N61 PolarHBondContact OD1-ND2 3.17Å; D25-N61 VanDerWaalsContact OD1-ND2 3.1Å; P59-N61 PolarHBondContact O-N 2.81Å
62I84.7Confident71.2Confident27 Ų2766.3 Ų66.314%0.13830%0.304CS..EExtended strand (participates in β ladder)trans-119.6117.6176-50.5175.7000109.3Y21 L22 P59 V82 V83Y21-I62 CarbonylContact O-C 3.53Å; Y21-I62 VanDerWaalsContact O-CA 3.3Å; Y21-I62 WeakPolarHBondContact O-CA 3.26Å; L22-I62 HydrophobicContact CG-CG1 4.43Å; P59-I62 HydrophobicContact CB-CD1 4.41Å; P59-I62 PolarHBondContact O-N 2.83Å; I62-V82 WeakPolarHBondContact O-CA 3.31Å; I62-V83 HydrophobicContact CB-CB 4.08Å; I62-V83 HydrophobicContact CB-CG2 3.86Å; I62-V83 HydrophobicContact CG2-CB 4.4Å; I62-V83 HydrophobicContact CG2-CG2 3.63Å; I62-V83 PolarHBondContact O-N 2.84Å
63E89.4Confident72.6Confident58 Ų5868.8 Ų68.827%0.27131%0.309SS..EExtended strand (participates in β ladder)trans-112.2140.1171.8-171.5173.8-114.300109.8L20 Y21 Y23 A80L20-E63 CarbonylContact C-O 3.53Å; L20-E63 WeakPolarHBondContact CA-O 3.23Å; Y21-E63 PolarHBondContact N-O 3.26Å; Y21-E63 PolarHBondContact O-N 2.79Å; Y23-E63 HydrophobicContact CE2-CB 3.84Å; E63-A80 HydrophobicContact CG-CB 4.02Å
64V93.3Very high74.1Confident4 Ų467.2 Ų67.22%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-111123.9178.3-171.20000108.2V18 L20 F66 A80 V81 V83 L105V18-V64 HydrophobicContact CB-CG1 3.65Å; V18-V64 HydrophobicContact CG1-CG1 4.11Å; V18-V64 HydrophobicContact CG2-CG1 3.66Å; L20-V64 HydrophobicContact CD2-CB 4.18Å; L20-V64 HydrophobicContact CD2-CG1 3.9Å; L20-V64 HydrophobicContact CD2-CG2 3.59Å; V64-F66 HydrophobicContact CB-CE2 3.64Å; V64-F66 HydrophobicContact CB-CZ 3.61Å; V64-F66 HydrophobicContact CG1-CD1 4.4Å; V64-F66 HydrophobicContact CG1-CD2 4.33Å; V64-F66 HydrophobicContact CG1-CE1 3.7Å; V64-F66 HydrophobicContact CG1-CE2 3.61Å; V64-F66 HydrophobicContact CG1-CZ 3.24Å; V64-F66 WeakPolarHBondContact O-CD2 3.29Å; V64-F66 VanDerWaalsContact O-CE2 3.23Å; V64-F66 WeakPolarHBondContact O-CE2 3.23Å; V64-A80 CarbonylContact O-C 3.53Å; V64-A80 VanDerWaalsContact O-CA 3.29Å; V64-A80 WeakPolarHBondContact O-CA 3.48Å; V64-V81 PolarHBondContact N-O 2.86Å; V64-V81 PolarHBondContact O-N 3.1Å; V64-V83 HydrophobicContact CG2-CG2 3.7Å; V64-L105 HydrophobicContact CB-CD2 4.19Å; V64-L105 HydrophobicContact CG2-CD2 3.78Å
65L94.3Very high75.8Confident11 Ų1166.1 Ų66.16%0.05830%0.3CS..EExtended strand (participates in β ladder)trans-99.3124.8174.8-177.570.3000109.7V18 R19 Y21 A68 V71 R78 E79 A80V18-L65 WeakPolarHBondContact CA-O 3.42Å; V18-L65 WeakPolarHBondContact CB-O 3.43Å; R19-L65 HydrophobicContact CB-CB 4.33Å; R19-L65 PolarHBondContact N-O 2.86Å; R19-L65 PolarHBondContact O-N 2.99Å; Y21-L65 HydrophobicContact CD2-CB 4.27Å; Y21-L65 HydrophobicContact CE2-CB 3.75Å; Y21-L65 HydrophobicContact CE2-CD2 3.91Å; Y21-L65 HydrophobicContact CE2-CG 4.46Å; L65-A68 HydrophobicContact CD2-CB 3.69Å; L65-A68 HydrophobicContact CG-CB 3.98Å; L65-V71 HydrophobicContact CD2-CG1 4.35Å; L65-R78 HydrophobicContact CD1-CB 4.12Å; L65-R78 HydrophobicContact CD1-CG 4.05Å; L65-E79 WeakPolarHBondContact CA-O 3.47Å; L65-A80 HydrophobicContact CD1-CB 4.26Å
66F95.3Very high77.4Confident3 Ų369.5 Ų69.51%0.01332%0.32CS..EExtended strand (participates in β ladder)trans-111154-178.7-55-90.9000110.5V18 L36 V64 A68 R78 E79 V81 L105 V109 I115V18-F66 HydrophobicContact CB-CD1 4.41Å; V18-F66 HydrophobicContact CB-CE1 4.49Å; V18-F66 HydrophobicContact CG1-CD1 3.31Å; V18-F66 HydrophobicContact CG1-CE1 3.54Å; V18-F66 HydrophobicContact CG1-CG 4.18Å; L36-F66 HydrophobicContact CB-CE1 4.47Å; L36-F66 HydrophobicContact CD1-CE1 4.02Å; L36-F66 HydrophobicContact CD2-CD1 4.16Å; L36-F66 HydrophobicContact CD2-CE1 4.35Å; V64-F66 HydrophobicContact CB-CE2 3.64Å; V64-F66 HydrophobicContact CB-CZ 3.61Å; V64-F66 HydrophobicContact CG1-CD1 4.4Å; V64-F66 HydrophobicContact CG1-CD2 4.33Å; V64-F66 HydrophobicContact CG1-CE1 3.7Å; V64-F66 HydrophobicContact CG1-CE2 3.61Å; V64-F66 HydrophobicContact CG1-CZ 3.24Å; V64-F66 WeakPolarHBondContact O-CD2 3.29Å; V64-F66 VanDerWaalsContact O-CE2 3.23Å; V64-F66 WeakPolarHBondContact O-CE2 3.23Å; F66-A68 PolarHBondContact O-N 2.82Å; F66-R78 WeakPolarHBondContact O-CA 3.33Å; F66-R78 WeakPolarHBondContact O-CB 3.29Å; F66-E79 WeakPolarHBondContact CD2-O 3.5Å; F66-E79 PolarHBondContact N-O 2.95Å; F66-E79 PolarHBondContact O-N 3.04Å; F66-E79 VanDerWaalsContact O-N 3.11Å; F66-V81 HydrophobicContact CD2-CG2 4.25Å; F66-V81 HydrophobicContact CE2-CB 3.87Å; F66-V81 HydrophobicContact CE2-CG2 3.79Å; F66-L105 HydrophobicContact CE1-CD1 4.18Å; F66-L105 HydrophobicContact CE2-CD1 4.25Å; F66-L105 HydrophobicContact CZ-CD1 3.48Å; F66-L105 VanDerWaalsContact CZ-CD1 3.48Å; F66-L105 HydrophobicContact CZ-CD2 3.89Å; F66-L105 HydrophobicContact CZ-CG 4.34Å; F66-V109 HydrophobicContact CD2-CG2 4.34Å; F66-V109 HydrophobicContact CG-CG2 4.29Å; F66-I115 HydrophobicContact CB-CD1 3.7Å; F66-I115 HydrophobicContact CB-CG1 3.93Å; F66-I115 HydrophobicContact CB-CG2 4.17Å; F66-I115 HydrophobicContact CD1-CG2 4.3Å
67G92.7Very high79.4Confident5 Ų567.3 Ų67.35%0.05230%0.304CS..SBendtrans69.41.7169.900000115.8H12 T114H12-G67 PolarHBondContact CE1-O 2.74Å; H12-G67 VanDerWaalsContact CE1-O 3.25Å; H12-G67 PolarHBondContact ND1-O 2.69Å; G67-T114 WeakPolarHBondContact CA-O 3.19Å
68A92.7Very high81.4Confident6 Ų667.1 Ų67.15%0.0529%0.294CS..  trans-77.4140.5178.800000111.3L65 F66 V71 E75 R78 W138L65-A68 HydrophobicContact CD2-CB 3.69Å; L65-A68 HydrophobicContact CG-CB 3.98Å; F66-A68 PolarHBondContact O-N 2.82Å; A68-V71 HydrophobicContact CB-CG1 4.42Å; A68-E75 VanDerWaalsContact CA-OE2 3.26Å; A68-E75 WeakPolarHBondContact CA-OE2 3.26Å; A68-R78 HydrophobicContact CB-CB 4.46Å; A68-W138 WeakPolarHBondContact O-CZ2 3.13Å
69H90.8Very high83.4Confident22 Ų2259.5 Ų59.510%0.10227%0.267CS..SBendtrans-109.4-54.8167.9173.259.5000110.4A9 E75 W138 T150 L151A9-H69 PolarHBondContact O-CE1 3.23Å; H69-E75 PolarHBondContact N-OE1 2.92Å; H69-E75 PolarHBondContact N-OE2 2.76Å; H69-W138 PolarHBondContact O-NE1 2.76Å; H69-T150 WeakPolarHBondContact CE1-CG2 3.3Å; H69-T150 WeakPolarHBondContact NE2-CG2 3.2Å; H69-L151 PolarHBondContact O-N 3.19Å
70N88.6Confident85.2Confident27 Ų2761.1 Ų61.114%0.14428%0.281CS..BIsolated β-bridgetrans-107115.3172.4-167.8-46.2000110.9N72 F73 E75 N149 T150N70-N72 VanDerWaalsContact C-N 3.32Å; N70-N72 PolarHBondContact O-N 3.24Å; N70-N72 WeakPolarHBondContact OD1-CB 3.46Å; N70-N72 PolarHBondContact OD1-N 3.32Å; N70-F73 HydrophobicContact CB-CD2 4.26Å; N70-F73 WeakPolarHBondContact OD1-CD2 3.22Å; N70-E75 PolarHBondContact N-OE1 3.41Å; N70-N149 WeakPolarHBondContact CA-O 2.96Å; N70-T150 PolarHBondContact ND2-OG1 3.22Å
71V85.7Confident86.9Confident15 Ų1551.5 Ų51.59%0.09125%0.245CC..THydrogen-bonded Turntrans-79.6-10-174.4-66.70000114.5L65 A68 F73 W138 N149 F293L65-V71 HydrophobicContact CD2-CG1 4.35Å; A68-V71 HydrophobicContact CB-CG1 4.42Å; V71-F73 VanDerWaalsContact C-N 3.34Å; V71-W138 HydrophobicContact CG1-CD2 4.27Å; V71-W138 HydrophobicContact CG1-CG 4.31Å; V71-W138 HydrophobicContact CG1-CZ2 4.34Å; V71-N149 HydrophobicContact CG2-CB 4.45Å; V71-N149 VanDerWaalsContact CG2-O 3.27Å; V71-N149 WeakPolarHBondContact CG2-O 2.88Å; V71-N149 PolarHBondContact N-O 2.93Å; V71-F293 HydrophobicContact CG2-CE1 4.07Å; V71-F293 HydrophobicContact CG2-CZ 3.94Å
72N79.8Confident87.6Confident78 Ų7850.4 Ų50.442%0.41724%0.24SC..THydrogen-bonded Turntrans-79-21.7176.6-79.9-0.8000113.2N70 N149 F293N70-N72 VanDerWaalsContact C-N 3.32Å; N70-N72 PolarHBondContact O-N 3.24Å; N70-N72 WeakPolarHBondContact OD1-CB 3.46Å; N70-N72 PolarHBondContact OD1-N 3.32Å; N72-N149 VanDerWaalsContact CG-CG 3.46Å; N72-N149 PolarHBondContact ND2-ND2 2.78Å; N72-N149 PolarHBondContact ND2-OD1 3.48Å; N72-N149 PolarHBondContact OD1-OD1 2.94Å; N72-F293 WeakPolarHBondContact OD1-CE2 3.2Å; N72-F293 WeakPolarHBondContact OD1-CZ 3.49Å
73F74.5Confident87.7Confident134 Ų13449.3 Ų49.359%0.58824%0.235SC*.SBendtrans-112.6152-175.1-56.9-71000110.6N70 V71 E75 R78N70-F73 HydrophobicContact CB-CD2 4.26Å; N70-F73 WeakPolarHBondContact OD1-CD2 3.22Å; V71-F73 VanDerWaalsContact C-N 3.34Å; F73-E75 PolarHBondContact O-N 3.19Å; F73-R78 PolarHBondContact O-NH1 3.03Å
74Y78.5Confident87.4Confident164 Ų16452.2 Ų52.264%0.64325%0.246SC*.  trans-71.2120.4165.1-178.1-86.7000108.4E76 R78Y74-E76 HydrophobicContact CE1-CB 4.49Å; Y74-E76 HydrophobicContact CE1-CG 4.07Å; Y74-R78 VanDerWaalsContact CD2-NH2 3.27Å
75E80.9Confident86.8Confident31 Ų3154.6 Ų54.615%0.14526%0.256CS..  trans-109.9125.7171.8-66.1179.6169.600107.6H12 A68 H69 N70 F73 K77 R78H12-E75 IonicContact CE1-OE2 3.91Å; H12-E75 PolarHBondContact CE1-OE2 3.12Å; A68-E75 VanDerWaalsContact CA-OE2 3.26Å; A68-E75 WeakPolarHBondContact CA-OE2 3.26Å; H69-E75 PolarHBondContact N-OE1 2.92Å; H69-E75 PolarHBondContact N-OE2 2.76Å; N70-E75 PolarHBondContact N-OE1 3.41Å; F73-E75 PolarHBondContact O-N 3.19Å; E75-K77 PolarHBondContact O-N 3.18Å; E75-K77 VanDerWaalsContact O-N 3.12Å; E75-R78 HydrophobicContact CB-CB 4.46Å; E75-R78 WeakPolarHBondContact O-CB 3.42Å; E75-R78 WeakPolarHBondContact O-CD 3.25Å; E75-R78 WeakPolarHBondContact O-CG 3.39Å; E75-R78 PolarHBondContact O-N 3.3Å
76E82.3Confident86.2Confident176 Ų17656.6 Ų56.682%0.82226%0.264SS*.THydrogen-bonded Turntrans-58.2-29.7-176.3-67.1-177.6167.800113.1Y74 R78Y74-E76 HydrophobicContact CE1-CB 4.49Å; Y74-E76 HydrophobicContact CE1-CG 4.07Å; E76-R78 PolarHBondContact O-N 2.68Å
77K85.5Confident85.2Confident97 Ų9757.8 Ų57.842%0.42227%0.27SS..THydrogen-bonded Turntrans-79.2-2-179.4-58.4-166.8178.4-170.20114E75 D113 T114E75-K77 PolarHBondContact O-N 3.18Å; E75-K77 VanDerWaalsContact O-N 3.12Å; K77-D113 IonicContact NZ-OD1 3.32Å; K77-D113 IonicContact NZ-OD2 2.66Å; K77-D113 PolarHBondContact NZ-OD2 2.91Å; K77-T114 HydrophobicContact CB-CG2 4.24Å; K77-T114 HydrophobicContact CD-CG2 3.38Å; K77-T114 HydrophobicContact CG-CG2 4.46Å
78R87.8Confident84.3Confident80 Ų8062.5 Ų62.530%0.30229%0.286SS..  trans-84.8140.8-17986.4-165-179.2158.612.6111.3L65 F66 A68 F73 Y74 E75 E76L65-R78 HydrophobicContact CD1-CB 4.12Å; L65-R78 HydrophobicContact CD1-CG 4.05Å; F66-R78 WeakPolarHBondContact O-CA 3.33Å; F66-R78 WeakPolarHBondContact O-CB 3.29Å; A68-R78 HydrophobicContact CB-CB 4.46Å; F73-R78 PolarHBondContact O-NH1 3.03Å; Y74-R78 VanDerWaalsContact CD2-NH2 3.27Å; E75-R78 HydrophobicContact CB-CB 4.46Å; E75-R78 WeakPolarHBondContact O-CB 3.42Å; E75-R78 WeakPolarHBondContact O-CD 3.25Å; E75-R78 WeakPolarHBondContact O-CG 3.39Å; E75-R78 PolarHBondContact O-N 3.3Å; E76-R78 PolarHBondContact O-N 2.68Å
79E92.1Very high83Confident48 Ų4863.3 Ų63.322%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-125.5143.2171.7-175.1169.4-178.700109.6L65 F66 V81 K107 V109 I115L65-E79 WeakPolarHBondContact CA-O 3.47Å; F66-E79 WeakPolarHBondContact CD2-O 3.5Å; F66-E79 PolarHBondContact N-O 2.95Å; F66-E79 PolarHBondContact O-N 3.04Å; F66-E79 VanDerWaalsContact O-N 3.11Å; E79-V81 HydrophobicContact CG-CG2 4.09Å; E79-K107 WeakPolarHBondContact OE1-CE 3.38Å; E79-K107 IonicContact OE1-NZ 2.74Å; E79-K107 PolarHBondContact OE1-NZ 3.07Å; E79-V109 WeakPolarHBondContact OE2-CG2 3.3Å; E79-I115 HydrophobicContact CB-CD1 4.06Å
80A91.8Very high81.7Confident44 Ų4467.3 Ų67.336%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-119131.2174.700000110.3E63 V64 L65E63-A80 HydrophobicContact CG-CB 4.02Å; V64-A80 CarbonylContact O-C 3.53Å; V64-A80 VanDerWaalsContact O-CA 3.29Å; V64-A80 WeakPolarHBondContact O-CA 3.48Å; L65-A80 HydrophobicContact CD1-CB 4.26Å
81V91.2Very high80.4Confident4 Ų469.3 Ų69.32%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-135.4127.3-179.1-170.40000110.9V64 F66 E79 L105 K107V64-V81 PolarHBondContact N-O 2.86Å; V64-V81 PolarHBondContact O-N 3.1Å; F66-V81 HydrophobicContact CD2-CG2 4.25Å; F66-V81 HydrophobicContact CE2-CB 3.87Å; F66-V81 HydrophobicContact CE2-CG2 3.79Å; E79-V81 HydrophobicContact CG-CG2 4.09Å; V81-L105 HydrophobicContact CG1-CB 4.02Å; V81-K107 HydrophobicContact CG1-CG 3.63Å; V81-K107 HydrophobicContact CG2-CG 4.37Å
82V88.6Confident79.3Confident25 Ų2571.5 Ų71.515%0.15234%0.34CS..EExtended strand (participates in β ladder)trans-70.4142.3174.5-179.40000110.7I62 R106I62-V82 WeakPolarHBondContact O-CA 3.31Å; V82-R106 WeakPolarHBondContact O-CB 3.08Å; V82-R106 PolarHBondContact O-N 2.96Å
83V86.5Confident78.4Confident3 Ų374.2 Ų74.22%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-72.7134.6173.81780000110.3P59 I62 V64 K85 L103P59-V83 HydrophobicContact CB-CB 4.38Å; P59-V83 HydrophobicContact CB-CG1 4.18Å; P59-V83 HydrophobicContact CG-CG1 4.25Å; I62-V83 HydrophobicContact CB-CB 4.08Å; I62-V83 HydrophobicContact CB-CG2 3.86Å; I62-V83 HydrophobicContact CG2-CB 4.4Å; I62-V83 HydrophobicContact CG2-CG2 3.63Å; I62-V83 PolarHBondContact O-N 2.84Å; V64-V83 HydrophobicContact CG2-CG2 3.7Å; V83-K85 VanDerWaalsContact CG1-O 3.3Å; V83-K85 WeakPolarHBondContact CG1-O 3.06Å; V83-L103 HydrophobicContact CG1-CB 4.2Å; V83-L103 HydrophobicContact CG2-CB 4.18Å; V83-L103 HydrophobicContact CG2-CD1 4.22Å
84K81.8Confident77.6Confident120 Ų12076.4 Ų76.452%0.52236%0.362SS..EExtended strand (participates in β ladder)trans-84.4-48.9176.5-171.5-179.2178.5179.20112.1P59 Y104 R106P59-K84 WeakPolarHBondContact CG-O 3.42Å; K84-Y104 HydrophobicContact CB-CD1 4.02Å; K84-Y104 WeakPolarHBondContact CB-O 3.22Å; K84-Y104 HydrophobicContact CD-CD1 3.84Å; K84-Y104 HydrophobicContact CD-CE1 3.79Å; K84-Y104 HydrophobicContact CG-CD1 4.49Å; K84-Y104 PolarHBondContact N-O 3.32Å; K84-R106 HydrophobicContact CB-CB 4.35Å
85K81.4Confident76.8Confident53 Ų5369.9 Ų69.923%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-153.1158.5-177.162.1178.2-174.2163.10108.3Y54 V83 Y104Y54-K85 HydrophobicContact CD1-CB 4.35Å; Y54-K85 HydrophobicContact CD1-CD 3.58Å; Y54-K85 HydrophobicContact CD1-CG 3.84Å; Y54-K85 HydrophobicContact CD2-CD 4.32Å; Y54-K85 HydrophobicContact CE1-CD 4.04Å; Y54-K85 HydrophobicContact CE1-CG 4.33Å; Y54-K85 HydrophobicContact CG-CD 3.73Å; Y54-K85 HydrophobicContact CG-CG 4.41Å; V83-K85 VanDerWaalsContact CG1-O 3.3Å; V83-K85 WeakPolarHBondContact CG1-O 3.06Å; K85-Y104 HydrophobicContact CG-CD1 4.16Å; K85-Y104 HydrophobicContact CG-CG 4.17Å; K85-Y104 PolarHBondContact N-O 2.93Å; K85-Y104 PolarHBondContact O-N 2.97Å
86Y81.2Confident75.9Confident54 Ų5473.7 Ų73.721%0.21236%0.356CS..EExtended strand (participates in β ladder)trans-137.3156.317365.1-86.7000110.8Y55 T57 P59 L102 L103Y55-Y86 PolarHBondContact N-O 2.77Å; T57-Y86 PolarHBondContact OG1-OH 2.8Å; P59-Y86 HydrophobicContact CB-CD1 4.01Å; P59-Y86 HydrophobicContact CB-CE1 4.24Å; P59-Y86 HydrophobicContact CG-CD1 4.35Å; Y86-L102 CarbonylContact C-O 3.54Å; Y86-L102 WeakPolarHBondContact CA-O 3.21Å; Y86-L102 WeakPolarHBondContact CB-O 3.47Å; Y86-L103 VanDerWaalsContact CB-CD2 3.46Å; Y86-L103 HydrophobicContact CG-CD2 4.33Å
87N75.7Confident75.1Confident28 Ų2867.9 Ų67.915%0.1533%0.329CS..EExtended strand (participates in β ladder)trans-123.7152.4170.8-164.22.9000108.6T52 Y54 A101 L102T52-N87 WeakPolarHBondContact CG2-ND2 2.87Å; Y54-N87 HydrophobicContact CD1-CB 3.88Å; Y54-N87 HydrophobicContact CE1-CB 3.87Å; N87-A101 CarbonylContact O-C 3.49Å; N87-A101 VanDerWaalsContact O-CA 3.31Å; N87-A101 WeakPolarHBondContact O-CA 3.48Å; N87-L102 HydrophobicContact CB-CB 4.45Å; N87-L102 PolarHBondContact N-O 2.84Å; N87-L102 PolarHBondContact O-N 2.88Å
88R72.1Confident74.3Confident103 Ų10365.8 Ų65.839%0.38932%0.32SS..EExtended strand (participates in β ladder)trans-146.2149.3175.262.2176-172.291.4-5.7108.7Y55 A101Y55-R88 HydrophobicContact CE2-CG 4.36Å; R88-A101 HydrophobicContact CB-CB 4.21Å
89G65.7Low73.5Confident23 Ų2364.9 Ų64.924%0.23734%0.336CS..  trans-60.9168.516700000111.6Y91 I100G89-Y91 PolarHBondContact O-N 2.92Å; G89-I100 PolarHBondContact N-O 2.88Å
90P64.5Low73Confident106 Ų10669.3 Ų69.369%0.68836%0.36SS*.  trans-61.563.8164.226.7-37.6000112.7D92 E98P90-D92 PolarHBondContact O-N 2.97Å; P90-E98 WeakPolarHBondContact CD-OE2 3.41Å; P90-E98 WeakPolarHBondContact CG-OE2 3.27Å
91Y61.1Low72.6Confident69 Ų6970 Ų7027%0.27137%0.365SS..  trans-54.7121.5176.7178.3-106.4000110.7G89 H93 K96 E97G89-Y91 PolarHBondContact O-N 2.92Å; Y91-H93 AromaticContact CD1-CD2 4Å; Y91-H93 AromaticContact CE1-CE1 3.83Å; Y91-H93 AromaticContact CE1-CG 3.91Å; Y91-H93 AromaticContact CE1-ND1 3.76Å; Y91-K96 WeakPolarHBondContact OH-CD 3.3Å; Y91-E97 WeakPolarHBondContact CA-O 3.43Å; Y91-E97 WeakPolarHBondContact CD2-O 3.4Å
92D62.7Low72.4Confident61 Ų6172.5 Ų72.533%0.32638%0.378SS..  trans-93.4120175.7-174.6-33000108.9P90 E94 T95 K96 E97P90-D92 PolarHBondContact O-N 2.97Å; D92-E94 VanDerWaalsContact C-N 3.31Å; D92-E94 PolarHBondContact O-N 3.44Å; D92-E94 WeakPolarHBondContact OD1-CA 3.43Å; D92-E94 WeakPolarHBondContact OD1-CB 3.32Å; D92-E94 PolarHBondContact OD1-N 2.68Å; D92-T95 VanDerWaalsContact CB-OG1 3.25Å; D92-T95 WeakPolarHBondContact CB-OG1 3.02Å; D92-T95 VanDerWaalsContact CG-OG1 3.31Å; D92-T95 PolarHBondContact OD1-N 2.85Å; D92-T95 VanDerWaalsContact OD1-N 3.12Å; D92-K96 WeakPolarHBondContact O-CA 3.2Å; D92-K96 PolarHBondContact O-N 2.7Å; D92-E97 PolarHBondContact N-O 3.26Å
93H60.8Low72.4Confident136 Ų13673.6 Ų73.663%0.6338%0.383SS*.THydrogen-bonded Turntrans-69.8-27.5-178.9-87.9-85.8000113.7Y91 K96Y91-H93 AromaticContact CD1-CD2 4Å; Y91-H93 AromaticContact CE1-CE1 3.83Å; Y91-H93 AromaticContact CE1-CG 3.91Å; Y91-H93 AromaticContact CE1-ND1 3.76Å; H93-K96 PolarHBondContact O-NZ 3.45Å
94E57.8Low72.5Confident179 Ų17979.2 Ų79.284%0.83641%0.405SS*.THydrogen-bonded Turntrans-79.8-52.4179.2-65-169.6168.300110.3D92D92-E94 VanDerWaalsContact C-N 3.31Å; D92-E94 PolarHBondContact O-N 3.44Å; D92-E94 WeakPolarHBondContact OD1-CA 3.43Å; D92-E94 WeakPolarHBondContact OD1-CB 3.32Å; D92-E94 PolarHBondContact OD1-N 2.68Å
95T61.3Low72.8Confident28 Ų2874.9 Ų74.917%0.17239%0.387CS..THydrogen-bonded Turntrans-83.8-15.6-176.568.30000113.2D92 E97 T170D92-T95 VanDerWaalsContact CB-OG1 3.25Å; D92-T95 WeakPolarHBondContact CB-OG1 3.02Å; D92-T95 VanDerWaalsContact CG-OG1 3.31Å; D92-T95 PolarHBondContact OD1-N 2.85Å; D92-T95 VanDerWaalsContact OD1-N 3.12Å; T95-E97 PolarHBondContact O-N 3.41Å; T95-E97 WeakPolarHBondContact OG1-CB 3.37Å; T95-E97 WeakPolarHBondContact OG1-CG 3.32Å; T95-E97 PolarHBondContact OG1-N 2.83Å; T95-E97 PolarHBondContact OG1-OE2 2.92Å; T95-T170 VanDerWaalsContact O-CB 3.26Å; T95-T170 WeakPolarHBondContact O-CB 3.23Å; T95-T170 WeakPolarHBondContact O-CG2 3.2Å; T95-T170 PolarHBondContact O-OG1 3.02Å
96K62.3Low73.1Confident110 Ų11080.6 Ų80.648%0.47841%0.407SS..  trans6212.9-169.9-48.4-61.7-179-1570113.8Y91 D92 H93 T170Y91-K96 WeakPolarHBondContact OH-CD 3.3Å; D92-K96 WeakPolarHBondContact O-CA 3.2Å; D92-K96 PolarHBondContact O-N 2.7Å; H93-K96 PolarHBondContact O-NZ 3.45Å; K96-T170 HydrophobicContact CB-CG2 4.24Å
97E65.2Low73.5Confident55 Ų5582.9 Ų82.926%0.25742%0.418SS..THydrogen-bonded Turntrans-67.1149.2177-73.5-174.3132.800111.4Y91 D92 T95 K169 A172Y91-E97 WeakPolarHBondContact CA-O 3.43Å; Y91-E97 WeakPolarHBondContact CD2-O 3.4Å; D92-E97 PolarHBondContact N-O 3.26Å; T95-E97 PolarHBondContact O-N 3.41Å; T95-E97 WeakPolarHBondContact OG1-CB 3.37Å; T95-E97 WeakPolarHBondContact OG1-CG 3.32Å; T95-E97 PolarHBondContact OG1-N 2.83Å; T95-E97 PolarHBondContact OG1-OE2 2.92Å; E97-K169 VanDerWaalsContact CD-O 3.31Å; E97-A172 WeakPolarHBondContact OE1-CB 3.32Å
98E68.3Low74.2Confident53 Ų5387.2 Ų87.225%0.24845%0.448CS..THydrogen-bonded Turntrans62.444.6177.9-50-152.616500115.5P90 I100 K173P90-E98 WeakPolarHBondContact CD-OE2 3.41Å; P90-E98 WeakPolarHBondContact CG-OE2 3.27Å; E98-I100 PolarHBondContact O-N 2.94Å; E98-K173 HydrophobicContact CG-CD 4.17Å; E98-K173 IonicContact OE1-NZ 2.66Å; E98-K173 PolarHBondContact OE1-NZ 3.15Å
99G70.4Confident75.2Confident61 Ų6183 Ų8363%0.62943%0.434SS*.  trans-70.219-179.400000117.2
100I82Confident76.5Confident140 Ų14087 Ų8772%0.71845%0.454SS*.  trans-100.8131.1-178.6-60.3177.3000110.5G89 E98G89-I100 PolarHBondContact N-O 2.88Å; E98-I100 PolarHBondContact O-N 2.94Å
101A84.2Confident77.9Confident58 Ų5886.3 Ų86.348%0.47944%0.44SS..EExtended strand (participates in β ladder)trans-125.3132.1171.300000110.6N87 R88N87-A101 CarbonylContact O-C 3.49Å; N87-A101 VanDerWaalsContact O-CA 3.31Å; N87-A101 WeakPolarHBondContact O-CA 3.48Å; R88-A101 HydrophobicContact CB-CB 4.21Å
102L87.4Confident79.5Confident58 Ų5885.8 Ų85.830%0.30444%0.444SS..EExtended strand (participates in β ladder)trans-97.5119.7175.7-17962.8000109.5I37 L39 Y86 N87I37-L102 HydrophobicContact CD1-CD1 3.82Å; L39-L102 HydrophobicContact CD1-CD1 4.4Å; L39-L102 HydrophobicContact CD1-CD2 4.17Å; Y86-L102 CarbonylContact C-O 3.54Å; Y86-L102 WeakPolarHBondContact CA-O 3.21Å; Y86-L102 WeakPolarHBondContact CB-O 3.47Å; N87-L102 HydrophobicContact CB-CB 4.45Å; N87-L102 PolarHBondContact N-O 2.84Å; N87-L102 PolarHBondContact O-N 2.88Å
103L88.7Confident80.9Confident47 Ų4787.8 Ų87.825%0.24646%0.455CS..EExtended strand (participates in β ladder)trans-104.8122.3179.8-51.6-176.8000109.8L20 V83 Y86L20-L103 HydrophobicContact CD1-CD1 3.86Å; L20-L103 HydrophobicContact CD2-CD1 3.73Å; L20-L103 HydrophobicContact CG-CD1 4.47Å; V83-L103 HydrophobicContact CG1-CB 4.2Å; V83-L103 HydrophobicContact CG2-CB 4.18Å; V83-L103 HydrophobicContact CG2-CD1 4.22Å; Y86-L103 VanDerWaalsContact CB-CD2 3.46Å; Y86-L103 HydrophobicContact CG-CD2 4.33Å
104Y87.2Confident82.4Confident121 Ų12181.5 Ų81.548%0.47543%0.426SS..EExtended strand (participates in β ladder)trans-97.9120176.1-172.7-89.5000110K84 K85K84-Y104 HydrophobicContact CB-CD1 4.02Å; K84-Y104 WeakPolarHBondContact CB-O 3.22Å; K84-Y104 HydrophobicContact CD-CD1 3.84Å; K84-Y104 HydrophobicContact CD-CE1 3.79Å; K84-Y104 HydrophobicContact CG-CD1 4.49Å; K84-Y104 PolarHBondContact N-O 3.32Å; K85-Y104 HydrophobicContact CG-CD1 4.16Å; K85-Y104 HydrophobicContact CG-CG 4.17Å; K85-Y104 PolarHBondContact N-O 2.93Å; K85-Y104 PolarHBondContact O-N 2.97Å
105L89.6Confident84.3Confident29 Ų2973.1 Ų73.115%0.15239%0.387CS..EExtended strand (participates in β ladder)trans-70.5152-175.7-55.7178.1000112.2V64 F66 V81 K107V64-L105 HydrophobicContact CB-CD2 4.19Å; V64-L105 HydrophobicContact CG2-CD2 3.78Å; F66-L105 HydrophobicContact CE1-CD1 4.18Å; F66-L105 HydrophobicContact CE2-CD1 4.25Å; F66-L105 HydrophobicContact CZ-CD1 3.48Å; F66-L105 VanDerWaalsContact CZ-CD1 3.48Å; F66-L105 HydrophobicContact CZ-CD2 3.89Å; F66-L105 HydrophobicContact CZ-CG 4.34Å; V81-L105 HydrophobicContact CG1-CB 4.02Å; L105-K107 VanDerWaalsContact C-N 3.3Å; L105-K107 VanDerWaalsContact CB-O 3.31Å; L105-K107 WeakPolarHBondContact CB-O 3.21Å; L105-K107 PolarHBondContact O-N 2.87Å
106R87.1Confident85.9Confident173 Ų17375.9 Ų75.965%0.65340%0.399SS*.SBendtrans-68.3-29.3177.7-169.7174.478.9-174.84113.6V82 K84V82-R106 WeakPolarHBondContact O-CB 3.08Å; V82-R106 PolarHBondContact O-N 2.96Å; K84-R106 HydrophobicContact CB-CB 4.35Å
107K89.4Confident87.5Confident102 Ų10272.4 Ų72.444%0.44339%0.388SS..SBendtrans-138.4151.5172.157.4169.1-169.6160.70108.3E79 V81 L105E79-K107 WeakPolarHBondContact OE1-CE 3.38Å; E79-K107 IonicContact OE1-NZ 2.74Å; E79-K107 PolarHBondContact OE1-NZ 3.07Å; V81-K107 HydrophobicContact CG1-CG 3.63Å; V81-K107 HydrophobicContact CG2-CG 4.37Å; L105-K107 VanDerWaalsContact C-N 3.3Å; L105-K107 VanDerWaalsContact CB-O 3.31Å; L105-K107 WeakPolarHBondContact CB-O 3.21Å; L105-K107 PolarHBondContact O-N 2.87Å
108P90.6Very high88.9Confident119 Ų11972.1 Ų72.177%0.77339%0.389SS*.PPolyproline II helixtrans-61.3148.1169.927.8-34.5000110
109V92.7Very high90Very high16 Ų1675.1 Ų75.110%0.09742%0.415CS..PPolyproline II helixtrans-93.6141.1169.675.10000108.3L36 F66 E79 F111 I115L36-V109 HydrophobicContact CD1-CG1 4.21Å; L36-V109 HydrophobicContact CD2-CG1 4Å; F66-V109 HydrophobicContact CD2-CG2 4.34Å; F66-V109 HydrophobicContact CG-CG2 4.29Å; E79-V109 WeakPolarHBondContact OE2-CG2 3.3Å; V109-F111 HydrophobicContact CG1-CD1 4.27Å; V109-F111 HydrophobicContact CG1-CE1 4.07Å; V109-I115 HydrophobicContact CG1-CG2 3.96Å; V109-I115 HydrophobicContact CG2-CD1 4.12Å; V109-I115 HydrophobicContact CG2-CG2 3.83Å
110T92.8Very high90.9Very high107 Ų10776.9 Ų76.966%0.65641%0.41SS*.PPolyproline II helixtrans-84.1131175.3-57.60000108.6
111F94.8Very high91.2Very high91 Ų9175.2 Ų75.240%0.39941%0.407SS..PPolyproline II helixtrans-72.7137.3178.2-59.3-27.7000111.5L36 R38 V109 I115 P117L36-F111 HydrophobicContact CD2-CD1 4.46Å; L36-F111 HydrophobicContact CD2-CE1 4.09Å; R38-F111 HydrophobicContact CB-CZ 4.49Å; V109-F111 HydrophobicContact CG1-CD1 4.27Å; V109-F111 HydrophobicContact CG1-CE1 4.07Å; F111-I115 CarbonylContact C-O 3.54Å; F111-I115 WeakPolarHBondContact CA-O 3.36Å; F111-I115 WeakPolarHBondContact CB-O 3.41Å; F111-P117 HydrophobicContact CD2-CG 4.49Å; F111-P117 HydrophobicContact CE1-CG 4.26Å; F111-P117 HydrophobicContact CE2-CG 3.82Å; F111-P117 HydrophobicContact CZ-CB 4.29Å; F111-P117 HydrophobicContact CZ-CG 3.69Å
112T94.2Very high91.2Very high57 Ų5780.5 Ų80.535%0.3542%0.422SS..  trans-134.6-178.5-179.766.60000109.4T114 I115 M116T112-T114 PolarHBondContact O-N 2.95Å; T112-T114 VanDerWaalsContact O-N 3.17Å; T112-T114 PolarHBondContact OG1-N 3.03Å; T112-T114 VanDerWaalsContact OG1-N 3.16Å; T112-T114 PolarHBondContact OG1-OG1 3.26Å; T112-T114 VanDerWaalsContact OG1-OG1 3.12Å; T112-I115 PolarHBondContact N-O 3.15Å; T112-I115 PolarHBondContact O-N 3.35Å; T112-I115 PolarHBondContact OG1-N 2.71Å; T112-I115 VanDerWaalsContact OG1-N 3.07Å; T112-M116 WeakPolarHBondContact O-CG 3.45Å
113D92.4Very high91Very high104 Ų10483 Ų8356%0.55644%0.444SS*.SBendtrans-59.3-20169.960.9-33000113.4K77K77-D113 IonicContact NZ-OD1 3.32Å; K77-D113 IonicContact NZ-OD2 2.66Å; K77-D113 PolarHBondContact NZ-OD2 2.91Å
114T93Very high90.7Very high3 Ų388.3 Ų88.32%0.01847%0.473CS..SBendtrans-114.6-7.1-177.163.30000114.4H12 P15 G67 K77 T112H12-T114 HydrophobicContact CB-CG2 3.41Å; H12-T114 VanDerWaalsContact CB-CG2 3.41Å; P15-T114 VanDerWaalsContact CA-O 3.31Å; P15-T114 WeakPolarHBondContact CA-O 3.5Å; P15-T114 VanDerWaalsContact CB-C 3.43Å; P15-T114 WeakPolarHBondContact CB-O 3.26Å; G67-T114 WeakPolarHBondContact CA-O 3.19Å; K77-T114 HydrophobicContact CB-CG2 4.24Å; K77-T114 HydrophobicContact CD-CG2 3.38Å; K77-T114 HydrophobicContact CG-CG2 4.46Å; T112-T114 PolarHBondContact O-N 2.95Å; T112-T114 VanDerWaalsContact O-N 3.17Å; T112-T114 PolarHBondContact OG1-N 3.03Å; T112-T114 VanDerWaalsContact OG1-N 3.16Å; T112-T114 PolarHBondContact OG1-OG1 3.26Å; T112-T114 VanDerWaalsContact OG1-OG1 3.12Å
115I96Very high90.6Very high4 Ų484.8 Ų84.82%0.02147%0.469CS..  trans-131.9101.3179.5-55.6176.8000107.7P15 L36 F66 E79 V109 F111 T112P15-I115 WeakPolarHBondContact O-CA 3.38Å; L36-I115 HydrophobicContact CD2-CG2 3.59Å; F66-I115 HydrophobicContact CB-CD1 3.7Å; F66-I115 HydrophobicContact CB-CG1 3.93Å; F66-I115 HydrophobicContact CB-CG2 4.17Å; F66-I115 HydrophobicContact CD1-CG2 4.3Å; E79-I115 HydrophobicContact CB-CD1 4.06Å; V109-I115 HydrophobicContact CG1-CG2 3.96Å; V109-I115 HydrophobicContact CG2-CD1 4.12Å; V109-I115 HydrophobicContact CG2-CG2 3.83Å; F111-I115 CarbonylContact C-O 3.54Å; F111-I115 WeakPolarHBondContact CA-O 3.36Å; F111-I115 WeakPolarHBondContact CB-O 3.41Å; T112-I115 PolarHBondContact N-O 3.15Å; T112-I115 PolarHBondContact O-N 3.35Å; T112-I115 PolarHBondContact OG1-N 2.71Å; T112-I115 VanDerWaalsContact OG1-N 3.07Å
116M95.5Very high90.4Very high85 Ų8589.1 Ų89.142%0.41950%0.499SS..  trans-142.5146.1179.8-65-166.6-76.200109.8P15 W16 T112P15-M116 CarbonylContact C-O 3.45Å; P15-M116 HydrophobicContact CB-CB 3.99Å; P15-M116 HydrophobicContact CB-CE 4.18Å; P15-M116 HydrophobicContact CB-CG 4.29Å; P15-M116 HydrophobicContact CG-CB 3.93Å; P15-M116 HydrophobicContact CG-CE 3.55Å; P15-M116 HydrophobicContact CG-CG 4.37Å; P15-M116 PolarHBondContact O-N 2.88Å; P15-M116 VanDerWaalsContact O-N 3.1Å; W16-M116 WeakPolarHBondContact CA-O 3.3Å; W16-M116 VanDerWaalsContact CB-O 3.23Å; W16-M116 WeakPolarHBondContact CB-O 3.35Å; W16-M116 PolarHBondContact N-O 3.16Å; T112-M116 WeakPolarHBondContact O-CG 3.45Å
117P95.7Very high90.1Very high38 Ų3884.5 Ų84.525%0.24749%0.487CS..PPolyproline II helixtrans-74.5151.417832-34.5000111.5L36 R38 F111L36-P117 HydrophobicContact CG-CB 4.35Å; L36-P117 CarbonylContact O-C 3.51Å; L36-P117 VanDerWaalsContact O-CA 3.26Å; L36-P117 WeakPolarHBondContact O-CA 2.92Å; R38-P117 HydrophobicContact CB-CB 4.01Å; R38-P117 HydrophobicContact CB-CG 4.04Å; F111-P117 HydrophobicContact CD2-CG 4.49Å; F111-P117 HydrophobicContact CE1-CG 4.26Å; F111-P117 HydrophobicContact CE2-CG 3.82Å; F111-P117 HydrophobicContact CZ-CB 4.29Å; F111-P117 HydrophobicContact CZ-CG 3.69Å
118V95.3Very high89.6Confident48 Ų4882.7 Ų82.729%0.29149%0.486SS..BIsolated β-bridgetrans-87.1147.6164.669.10000109.8W16 L36 I37W16-V118 HydrophobicContact CB-CB 3.77Å; W16-V118 HydrophobicContact CB-CG1 4.31Å; W16-V118 HydrophobicContact CD2-CB 3.99Å; W16-V118 HydrophobicContact CD2-CG2 4.27Å; W16-V118 HydrophobicContact CE3-CB 4.48Å; W16-V118 HydrophobicContact CG-CB 3.66Å; W16-V118 HydrophobicContact CG-CG1 4.4Å; W16-V118 HydrophobicContact CG-CG2 4.32Å; L36-V118 PolarHBondContact O-N 2.79Å; I37-V118 HydrophobicContact CG2-CG1 3.98Å
119C91.2Very high88.7Confident117 Ų11785.6 Ų85.679%0.79149%0.486SS*.PPolyproline II helixtrans-69.3139.6175.1-58.80000111.1
120L89.7Confident87.8Confident98 Ų9892.8 Ų92.851%0.51352%0.524SS..PPolyproline II helixtrans-85.4144.6165.9-69.4177.6000110I37 L39I37-L120 HydrophobicContact CD1-CD1 4.01Å; I37-L120 HydrophobicContact CG2-CD2 3.94Å; I37-L120 HydrophobicContact CG2-CG 4.22Å; L39-L120 HydrophobicContact CD2-CD1 3.73Å
121P87.6Confident87.2Confident104 Ų10489.8 Ų89.868%0.67551%0.51SS*.PPolyproline II helixtrans-70.3156170.431.1-34.2000110.8A125P121-A125 HydrophobicContact CB-CB 4.11Å
122E85.4Confident86.7Confident169 Ų16990 Ų9079%0.7952%0.523SS*.PPolyproline II helixtrans-61155.2168.9-66.4-176.9179.200111.3N124 A125E122-N124 PolarHBondContact O-N 3.06Å; E122-A125 HydrophobicContact CB-CB 4.43Å; E122-A125 VanDerWaalsContact O-CB 3.26Å; E122-A125 WeakPolarHBondContact O-CB 3.06Å; E122-A125 PolarHBondContact O-N 2.81Å
123S83Confident86.5Confident110 Ų11088.8 Ų88.877%0.76952%0.516SS*.THydrogen-bonded Turntrans-56.3127.9176.9-173.20000111.1A125S123-A125 PolarHBondContact O-N 3.09Å
124N80.9Confident86.5Confident159 Ų15990.2 Ų90.285%0.8552%0.515SS*.THydrogen-bonded Turntrans60.320.6-176.8-52.7-58.2000115.5E122E122-N124 PolarHBondContact O-N 3.06Å
125A85.7Confident86.4Confident48 Ų4892.4 Ų92.440%0.39753%0.526SS..PPolyproline II helixtrans-57.6135.4172.300000110.8P121 E122 S123P121-A125 HydrophobicContact CB-CB 4.11Å; E122-A125 HydrophobicContact CB-CB 4.43Å; E122-A125 VanDerWaalsContact O-CB 3.26Å; E122-A125 WeakPolarHBondContact O-CB 3.06Å; E122-A125 PolarHBondContact O-N 2.81Å; S123-A125 PolarHBondContact O-N 3.09Å
126P84.4Confident86.2Confident119 Ų11993.5 Ų93.577%0.77353%0.534SS*.PPolyproline II helixtrans-68.6148.2179.628.5-34.4000111.2
127L82.4Confident86Confident77 Ų7790 Ų9040%0.40352%0.52SS..PPolyproline II helixtrans-61.5134.6173-67.2173.9000110.5K129 I158 F175L127-K129 PolarHBondContact O-N 2.94Å; L127-I158 HydrophobicContact CB-CD1 4.18Å; L127-I158 HydrophobicContact CB-CG2 4.37Å; L127-I158 HydrophobicContact CD1-CG2 4.03Å; L127-I158 HydrophobicContact CD2-CD1 4.32Å; L127-F175 HydrophobicContact CD1-CB 3.57Å; L127-F175 HydrophobicContact CD1-CD1 3.98Å; L127-F175 HydrophobicContact CD1-CD2 4.09Å; L127-F175 HydrophobicContact CD1-CG 3.61Å; L127-F175 HydrophobicContact CD2-CD1 3.7Å; L127-F175 HydrophobicContact CD2-CD2 4.27Å; L127-F175 HydrophobicContact CD2-CE1 3.68Å; L127-F175 HydrophobicContact CD2-CE2 4.25Å; L127-F175 HydrophobicContact CD2-CG 4Å; L127-F175 HydrophobicContact CD2-CZ 3.96Å; L127-F175 HydrophobicContact CG-CD1 4.49Å; L127-F175 HydrophobicContact CG-CG 4.49Å
128P79.1Confident85.7Confident64 Ų6489 Ų8942%0.41651%0.512SS..  trans-74.5111.4-177.729.9-34.8000110.5N130 A131 I158P128-N130 VanDerWaalsContact C-N 3.29Å; P128-N130 PolarHBondContact O-N 3.2Å; P128-A131 HydrophobicContact CB-CB 3.54Å; P128-A131 HydrophobicContact CG-CB 3.75Å; P128-I158 HydrophobicContact CG-CD1 3.91Å
129K70.7Confident85.1Confident180 Ų18088.7 Ų88.778%0.78352%0.518SS*.THydrogen-bonded Turntrans-66.1-27.1-175.1-66.3-172.7177.7-172.80114.6L127L127-K129 PolarHBondContact O-N 2.94Å
130N74.1Confident84.4Confident166 Ų16684.5 Ų84.589%0.88849%0.49SS*.THydrogen-bonded Turntrans-130.926.1-174.4-67.7-13.8000112.7P128P128-N130 VanDerWaalsContact C-N 3.29Å; P128-N130 PolarHBondContact O-N 3.2Å
131A80.9Confident83.7Confident44 Ų4482.1 Ų82.136%0.36448%0.48SS..  trans-84.8147.7173.700000110.9P128 C133P128-A131 HydrophobicContact CB-CB 3.54Å; P128-A131 HydrophobicContact CG-CB 3.75Å; A131-C133 PolarHBondContact O-N 3.22Å
132S84.1Confident82.7Confident97 Ų9779.3 Ų79.368%0.67846%0.46SS*.  trans-71.6105.6165.2-55.70000108.7
133C90Very high81.7Confident30 Ų3072.4 Ų72.420%0.20343%0.429CS..EExtended strand (participates in β ladder)trans-98143.8175.5-630000109.9A131 D155 V156A131-C133 PolarHBondContact O-N 3.22Å; C133-D155 CarbonylContact O-C 3.49Å; C133-D155 WeakPolarHBondContact O-CA 2.97Å; C133-V156 HydrophobicContact CB-CG2 3.97Å; C133-V156 WeakPolarHBondContact CB-O 3.26Å; C133-V156 PolarHBondContact O-N 3.38Å
134Y90.9Very high80.4Confident135 Ų13568.3 Ų68.353%0.52940%0.404SS..EExtended strand (participates in β ladder)trans-131141.1179.4-62.3-91.3000110W7 V154 D155W7-Y134 HydrophobicContact CZ2-CE1 4.38Å; Y134-V154 CarbonylContact C-O 3.54Å; Y134-V154 VanDerWaalsContact CA-O 3.3Å; Y134-V154 WeakPolarHBondContact CA-O 3.22Å; Y134-D155 HydrophobicContact CD1-CB 3.94Å; Y134-D155 HydrophobicContact CE1-CB 3.7Å
135I90.7Very high79.4Confident48 Ų4861.8 Ų61.825%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-107.3136.3169-59.1173.4000106.6M153 V154 V156 A186I135-M153 CarbonylContact O-C 3.36Å; I135-M153 WeakPolarHBondContact O-CA 3.47Å; I135-V154 HydrophobicContact CB-CG1 3.88Å; I135-V154 PolarHBondContact N-O 2.82Å; I135-V154 PolarHBondContact O-N 3.38Å; I135-V156 HydrophobicContact CD1-CB 4.34Å; I135-V156 HydrophobicContact CD1-CG1 3.65Å; I135-V156 HydrophobicContact CD1-CG2 3.88Å; I135-V156 HydrophobicContact CG1-CG1 4.17Å; I135-V156 HydrophobicContact CG1-CG2 3.78Å; I135-A186 HydrophobicContact CD1-CB 3.97Å; I135-A186 HydrophobicContact CG2-CB 4.1Å
136S92.4Very high78.3Confident27 Ų2761.8 Ų61.819%0.18937%0.371CS..EExtended strand (participates in β ladder)trans-131.5153.3175.653.70000111.8I14 Q17 Q152I14-S136 VanDerWaalsContact CD1-CB 3.41Å; Q17-S136 PolarHBondContact OE1-O 3.1Å; Q17-S136 PolarHBondContact OE1-OG 3.1Å; S136-Q152 WeakPolarHBondContact CA-O 3.11Å; S136-Q152 WeakPolarHBondContact CB-O 3.4Å
137G92.5Very high77.8Confident13 Ų1358.2 Ų58.213%0.13435%0.348CS..EExtended strand (participates in β ladder)trans163.1-179174.300000113.7Q152G137-Q152 PolarHBondContact N-O 2.67Å; G137-Q152 WeakPolarHBondContact O-CB 2.85Å; G137-Q152 PolarHBondContact O-N 3.39Å
138W89.4Confident77.7Confident17 Ų1755.8 Ų55.86%0.06434%0.337CS..SBendtrans-102.924.4177.1-64.9-88.6000111.6Q17 R19 A68 H69 V71 P147 S148 L151Q17-W138 HydrophobicContact CG-CH2 3.73Å; Q17-W138 HydrophobicContact CG-CZ3 3.56Å; R19-W138 HydrophobicContact CB-CE3 4.01Å; R19-W138 HydrophobicContact CB-CH2 4.42Å; R19-W138 HydrophobicContact CB-CZ3 3.83Å; R19-W138 HydrophobicContact CG-CE3 4.45Å; A68-W138 WeakPolarHBondContact O-CZ2 3.13Å; H69-W138 PolarHBondContact O-NE1 2.76Å; V71-W138 HydrophobicContact CG1-CD2 4.27Å; V71-W138 HydrophobicContact CG1-CG 4.31Å; V71-W138 HydrophobicContact CG1-CZ2 4.34Å; W138-P147 WeakPolarHBondContact O-CA 3.06Å; W138-P147 WeakPolarHBondContact O-CB 3.05Å; W138-S148 WeakPolarHBondContact CB-O 3.49Å; W138-S148 PolarHBondContact O-N 3.2Å; W138-L151 HydrophobicContact CD2-CD1 4.02Å; W138-L151 HydrophobicContact CE3-CD1 4.12Å; W138-L151 HydrophobicContact CH2-CD1 3.88Å; W138-L151 HydrophobicContact CH2-CD2 4.49Å; W138-L151 HydrophobicContact CZ2-CB 3.86Å; W138-L151 HydrophobicContact CZ2-CD1 3.76Å; W138-L151 HydrophobicContact CZ2-CD2 4.27Å; W138-L151 HydrophobicContact CZ2-CG 4.17Å; W138-L151 HydrophobicContact CZ3-CD1 4.06Å
139G82.5Confident77.9Confident41 Ų4155 Ų5542%0.42333%0.33SS..SBendtrans-69.8178.1179.400000112.6S148G139-S148 PolarHBondContact O-N 3.42Å; G139-S148 VanDerWaalsContact O-N 3.07Å
140S75.1Confident78.7Confident29 Ų2947.6 Ų47.620%0.20330%0.299CS..BIsolated β-bridgetrans-69.2135.1175.3-51.70000110.8V4 V142 G145 C187V4-S140 WeakPolarHBondContact CG2-O 3.47Å; S140-V142 VanDerWaalsContact C-N 3.34Å; S140-V142 WeakPolarHBondContact CB-O 3.35Å; S140-G145 VanDerWaalsContact CB-O 3.24Å; S140-G145 WeakPolarHBondContact CB-O 3.22Å; S140-G145 PolarHBondContact OG-O 3.19Å; S140-C187 WeakPolarHBondContact O-CB 2.89Å
141T75.3Confident79.5Confident48 Ų4839.8 Ų39.829%0.29426%0.258SS..SBendtrans-86.5-8.9178.553.60000113.2N3 V4 Q152N3-T141 PolarHBondContact OD1-O 2.93Å; N3-T141 VanDerWaalsContact OD1-O 3.1Å; V4-T141 VanDerWaalsContact CG2-C 3.42Å; V4-T141 WeakPolarHBondContact CG2-O 3.19Å; V4-T141 PolarHBondContact N-O 3.04Å; T141-Q152 HydrophobicContact CG2-CG 3.79Å
142V68.1Low80Confident44 Ų4439 Ų3927%0.26725%0.247SC..BIsolated β-bridgetrans-136.2149.1171.2-61.50000109S140 G144 G145S140-V142 VanDerWaalsContact C-N 3.34Å; S140-V142 WeakPolarHBondContact CB-O 3.35Å; V142-G144 PolarHBondContact O-N 2.72Å; V142-G145 PolarHBondContact O-N 2.75Å
143N63.8Low80.4Confident25 Ų2535.5 Ų35.513%0.13422%0.22CC..THydrogen-bonded Turntrans-60.8126.2176.7-173.917.3000110.8S2 G145 A190S2-N143 PolarHBondContact O-N 3.39Å; S2-N143 VanDerWaalsContact O-N 3.16Å; N143-G145 PolarHBondContact O-N 2.95Å; N143-A190 PolarHBondContact ND2-O 2.73Å; N143-A190 PolarHBondContact OD1-O 3.06Å
144G55.4Low80.4Confident23 Ų2334.5 Ų34.524%0.23721%0.213CC..THydrogen-bonded Turntrans73.25.7-173.600000114.8V142 T329V142-G144 PolarHBondContact O-N 2.72Å; G144-T329 WeakPolarHBondContact O-CB 3.27Å; G144-T329 WeakPolarHBondContact O-CG2 3.38Å
145G58.8Low80.3Confident22 Ų2230.2 Ų30.223%0.22720%0.199CC..PPolyproline II helixtrans-80.3173.3174.600000113S140 V142 N143S140-G145 VanDerWaalsContact CB-O 3.24Å; S140-G145 WeakPolarHBondContact CB-O 3.22Å; S140-G145 PolarHBondContact OG-O 3.19Å; V142-G145 PolarHBondContact O-N 2.75Å; N143-G145 PolarHBondContact O-N 2.95Å
146S62.6Low80.2Confident49 Ų4928.1 Ų28.134%0.34319%0.189SC..PPolyproline II helixtrans-75.9145.3174.8-28.50000110.7D294S146-D294 WeakPolarHBondContact CB-OD1 3.1Å; S146-D294 PolarHBondContact OG-OD1 3.01Å
147P74.6Confident80Confident43 Ų4331.5 Ų31.528%0.27920%0.204SC..BIsolated β-bridgetrans-60144.2172.6-1727000112W138 F293W138-P147 WeakPolarHBondContact O-CA 3.06Å; W138-P147 WeakPolarHBondContact O-CB 3.05Å; P147-F293 HydrophobicContact CB-CD1 4.32Å
148S80.4Confident79.7Confident26 Ų2632.7 Ų32.718%0.18221%0.207CC..PPolyproline II helixtrans-74.5144.9178.6-170.80000112.6W138 G139 T150 Q152W138-S148 WeakPolarHBondContact CB-O 3.49Å; W138-S148 PolarHBondContact O-N 3.2Å; G139-S148 PolarHBondContact O-N 3.42Å; G139-S148 VanDerWaalsContact O-N 3.07Å; S148-T150 WeakPolarHBondContact CB-O 3.46Å; S148-T150 PolarHBondContact OG-N 3.07Å; S148-T150 PolarHBondContact OG-O 3.23Å; S148-Q152 PolarHBondContact OG-NE2 2.02Å
149N82.8Confident79.4Confident48 Ų4833.3 Ų33.326%0.25721%0.212SC..SBendtrans-79.8-30.9172.9-60.3-39.9000112N70 V71 N72 F293N70-N149 WeakPolarHBondContact CA-O 2.96Å; V71-N149 HydrophobicContact CG2-CB 4.45Å; V71-N149 VanDerWaalsContact CG2-O 3.27Å; V71-N149 WeakPolarHBondContact CG2-O 2.88Å; V71-N149 PolarHBondContact N-O 2.93Å; N72-N149 VanDerWaalsContact CG-CG 3.46Å; N72-N149 PolarHBondContact ND2-ND2 2.78Å; N72-N149 PolarHBondContact ND2-OD1 3.48Å; N72-N149 PolarHBondContact OD1-OD1 2.94Å; N149-F293 WeakPolarHBondContact OD1-CD1 3.49Å; N149-F293 WeakPolarHBondContact OD1-CD2 3.18Å; N149-F293 WeakPolarHBondContact OD1-CE1 2.92Å; N149-F293 WeakPolarHBondContact OD1-CE2 3.39Å; N149-F293 WeakPolarHBondContact OD1-CZ 3.11Å
150T88.2Confident79.2Confident24 Ų2436.1 Ų36.115%0.14721%0.214CC..BIsolated β-bridgetrans-93.4135.3178.2-56.90000108.4D8 H69 N70 S148 Q152D8-T150 HydrophobicContact CB-CG2 4.2Å; H69-T150 WeakPolarHBondContact CE1-CG2 3.3Å; H69-T150 WeakPolarHBondContact NE2-CG2 3.2Å; N70-T150 PolarHBondContact ND2-OG1 3.22Å; S148-T150 WeakPolarHBondContact CB-O 3.46Å; S148-T150 PolarHBondContact OG-N 3.07Å; S148-T150 PolarHBondContact OG-O 3.23Å; T150-Q152 PolarHBondContact O-N 2.89Å; T150-Q152 VanDerWaalsContact O-N 3.15Å; T150-Q152 PolarHBondContact O-NE2 2.88Å
151L91Very high79.1Confident3 Ų339.4 Ų39.42%0.01623%0.226CC..PPolyproline II helixtrans-55.5123176.217959.1000109.9A9 I14 Q17 H69 W138A9-L151 HydrophobicContact CB-CB 4.15Å; A9-L151 HydrophobicContact CB-CD2 4.09Å; A9-L151 HydrophobicContact CB-CG 3.85Å; A9-L151 VanDerWaalsContact CB-O 3.25Å; A9-L151 WeakPolarHBondContact CB-O 3.49Å; A9-L151 PolarHBondContact N-O 2.93Å; I14-L151 HydrophobicContact CB-CD2 4.1Å; I14-L151 HydrophobicContact CD1-CD2 4.22Å; I14-L151 HydrophobicContact CG1-CD2 4.35Å; Q17-L151 HydrophobicContact CB-CD2 4.44Å; Q17-L151 HydrophobicContact CG-CD1 3.78Å; Q17-L151 HydrophobicContact CG-CD2 4.34Å; H69-L151 PolarHBondContact O-N 3.19Å; W138-L151 HydrophobicContact CD2-CD1 4.02Å; W138-L151 HydrophobicContact CE3-CD1 4.12Å; W138-L151 HydrophobicContact CH2-CD1 3.88Å; W138-L151 HydrophobicContact CH2-CD2 4.49Å; W138-L151 HydrophobicContact CZ2-CB 3.86Å; W138-L151 HydrophobicContact CZ2-CD1 3.76Å; W138-L151 HydrophobicContact CZ2-CD2 4.27Å; W138-L151 HydrophobicContact CZ2-CG 4.17Å; W138-L151 HydrophobicContact CZ3-CD1 4.06Å
152Q92.5Very high79.2Confident27 Ų2744.8 Ų44.813%0.12625%0.245CC..EExtended strand (participates in β ladder)trans-97.3154.5176.4-57.1-61.5-61.300109.9D8 S136 G137 T141 S148 T150D8-Q152 PolarHBondContact OD1-NE2 2.83Å; D8-Q152 PolarHBondContact OD1-OE1 3.09Å; S136-Q152 WeakPolarHBondContact CA-O 3.11Å; S136-Q152 WeakPolarHBondContact CB-O 3.4Å; G137-Q152 PolarHBondContact N-O 2.67Å; G137-Q152 WeakPolarHBondContact O-CB 2.85Å; G137-Q152 PolarHBondContact O-N 3.39Å; T141-Q152 HydrophobicContact CG2-CG 3.79Å; S148-Q152 PolarHBondContact OG-NE2 2.02Å; T150-Q152 PolarHBondContact O-N 2.89Å; T150-Q152 VanDerWaalsContact O-N 3.15Å; T150-Q152 PolarHBondContact O-NE2 2.88Å
153M91.7Very high79.6Confident23 Ų2345.3 Ų45.311%0.11325%0.246CC..EExtended strand (participates in β ladder)trans-137.8150.216669.7168.580.700111.7G6 W7 A9 I14 I135G6-M153 CarbonylContact C-O 3.38Å; G6-M153 WeakPolarHBondContact CA-O 3.45Å; W7-M153 HydrophobicContact CD2-CG 4.44Å; W7-M153 HydrophobicContact CG-CG 4.5Å; W7-M153 HydrophobicContact CZ2-CG 4.2Å; W7-M153 HydrophobicContact CZ2-SD 4.12Å; W7-M153 PolarHBondContact N-O 3.27Å; W7-M153 PolarHBondContact NE1-SD 2.93Å; W7-M153 VanDerWaalsContact NE1-SD 3.45Å; W7-M153 PolarHBondContact O-N 2.81Å; A9-M153 VanDerWaalsContact CA-CE 3.44Å; A9-M153 HydrophobicContact CB-CE 3.45Å; A9-M153 VanDerWaalsContact CB-CE 3.45Å; A9-M153 HydrophobicContact CB-CG 4.41Å; I14-M153 HydrophobicContact CD1-CB 4.1Å; I14-M153 HydrophobicContact CD1-CE 3.71Å; I14-M153 HydrophobicContact CG1-CE 4.08Å; I135-M153 CarbonylContact O-C 3.36Å; I135-M153 WeakPolarHBondContact O-CA 3.47Å
154V90.6Very high80.2Confident9 Ų945 Ų456%0.05525%0.246CC..EExtended strand (participates in β ladder)trans-139.8136.6173.162.10000109.7Y134 I135 V156 K184Y134-V154 CarbonylContact C-O 3.54Å; Y134-V154 VanDerWaalsContact CA-O 3.3Å; Y134-V154 WeakPolarHBondContact CA-O 3.22Å; I135-V154 HydrophobicContact CB-CG1 3.88Å; I135-V154 PolarHBondContact N-O 2.82Å; I135-V154 PolarHBondContact O-N 3.38Å; V154-V156 HydrophobicContact CG1-CG1 4.25Å; V154-K184 HydrophobicContact CG2-CB 3.91Å; V154-K184 HydrophobicContact CG2-CD 4.25Å; V154-K184 HydrophobicContact CG2-CG 3.9Å
155D88.6Confident80.9Confident45 Ų4552.2 Ų52.224%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-77.4137.917166.5-59.7000110.3W7 C133 Y134 K184W7-D155 HydrophobicContact CH2-CB 4.08Å; W7-D155 WeakPolarHBondContact CH2-OD1 3.43Å; W7-D155 VanDerWaalsContact CZ3-OD1 3.3Å; W7-D155 WeakPolarHBondContact CZ3-OD1 3.18Å; C133-D155 CarbonylContact O-C 3.49Å; C133-D155 WeakPolarHBondContact O-CA 2.97Å; Y134-D155 HydrophobicContact CD1-CB 3.94Å; Y134-D155 HydrophobicContact CE1-CB 3.7Å; D155-K184 WeakPolarHBondContact O-CD 3.42Å; D155-K184 IonicContact OD1-NZ 2.68Å; D155-K184 PolarHBondContact OD1-NZ 3.16Å; D155-K184 IonicContact OD2-NZ 3.34Å; D155-K184 PolarHBondContact OD2-NZ 2.71Å
156V89.1Confident81.2Confident5 Ų555.5 Ų55.53%0.0329%0.291CS..EExtended strand (participates in β ladder)trans-137.8155.5-178.8-680000111.1C133 I135 V154 A177 K184C133-V156 HydrophobicContact CB-CG2 3.97Å; C133-V156 WeakPolarHBondContact CB-O 3.26Å; C133-V156 PolarHBondContact O-N 3.38Å; I135-V156 HydrophobicContact CD1-CB 4.34Å; I135-V156 HydrophobicContact CD1-CG1 3.65Å; I135-V156 HydrophobicContact CD1-CG2 3.88Å; I135-V156 HydrophobicContact CG1-CG1 4.17Å; I135-V156 HydrophobicContact CG1-CG2 3.78Å; V154-V156 HydrophobicContact CG1-CG1 4.25Å; V156-A177 HydrophobicContact CB-CB 4.26Å; V156-A177 HydrophobicContact CG2-CB 3.79Å; V156-K184 HydrophobicContact CG1-CB 4.46Å
157N86.7Confident81.1Confident97 Ų9758.2 Ų58.252%0.51930%0.301SS..EExtended strand (participates in β ladder)trans-102.3139.2172.2-63.2-53.2000109.6L159 A177 G178N157-L159 HydrophobicContact CB-CD2 4.5Å; N157-L159 PolarHBondContact O-N 3.43Å; N157-A177 CarbonylContact O-C 3.52Å; N157-A177 WeakPolarHBondContact O-CA 3.23Å; N157-G178 PolarHBondContact N-O 2.98Å; N157-G178 PolarHBondContact O-N 3.16Å
158I86.9Confident80.3Confident39 Ų3965.4 Ų65.420%0.233%0.328CS..EExtended strand (participates in β ladder)trans-68.4125.4168.2-61.9-179.1000108L127 P128 F175L127-I158 HydrophobicContact CB-CD1 4.18Å; L127-I158 HydrophobicContact CB-CG2 4.37Å; L127-I158 HydrophobicContact CD1-CG2 4.03Å; L127-I158 HydrophobicContact CD2-CD1 4.32Å; P128-I158 HydrophobicContact CG-CD1 3.91Å; I158-F175 HydrophobicContact CD1-CE2 4.21Å; I158-F175 HydrophobicContact CG1-CD2 4.44Å; I158-F175 HydrophobicContact CG1-CE2 4.17Å; I158-F175 HydrophobicContact CG2-CD2 4.06Å
159L82.2Confident79.1Confident29 Ų2971.3 Ų71.315%0.15235%0.351CS..EExtended strand (participates in β ladder)trans-98.9148.4-178.4-54.5178.9000110.6N157 D163 C176 K180N157-L159 HydrophobicContact CB-CD2 4.5Å; N157-L159 PolarHBondContact O-N 3.43Å; L159-D163 HydrophobicContact CB-CB 4.41Å; L159-C176 HydrophobicContact CB-CB 4.18Å; L159-C176 PolarHBondContact N-O 2.66Å; L159-K180 HydrophobicContact CD1-CG 4.33Å; L159-K180 HydrophobicContact CD2-CG 3.85Å
160E78.1Confident77.9Confident101 Ų10170.4 Ų70.447%0.47235%0.347SS..PPolyproline II helixtrans-71.6151169.8-63.2-170.5164.800110K162 D163E160-K162 HydrophobicContact CB-CG 4.26Å; E160-K162 PolarHBondContact O-N 2.88Å; E160-K162 VanDerWaalsContact O-N 3.09Å; E160-K162 WeakPolarHBondContact OE2-CE 2.81Å; E160-K162 IonicContact OE2-NZ 2.72Å; E160-K162 PolarHBondContact OE2-NZ 3.5Å; E160-D163 WeakPolarHBondContact O-CA 3.48Å; E160-D163 WeakPolarHBondContact O-CB 3.44Å; E160-D163 PolarHBondContact O-N 3.46Å
161H74.2Confident76.4Confident98 Ų9869.9 Ų69.945%0.45434%0.343SS..G310 helixtrans-57.8-31.6-176.2-71.741.4000113.3D163 C164 M171H161-D163 PolarHBondContact O-N 3.25Å; H161-C164 PolarHBondContact O-N 3.26Å; H161-C164 VanDerWaalsContact O-N 3.15Å; H161-M171 HydrophobicContact CB-CE 4.34Å; H161-M171 HydrophobicContact CB-SD 4.08Å; H161-M171 VanDerWaalsContact CD2-CE 3.47Å; H161-M171 WeakPolarHBondContact CD2-CE 3.18Å; H161-M171 PolarHBondContact CD2-SD 3.43Å
162K76.1Confident75.2Confident161 Ų16173.8 Ų73.870%0.738%0.375SS*.G310 helixtrans-65.6-20.5177.575.8-168.8-171.5-154.40113.3E160E160-K162 HydrophobicContact CB-CG 4.26Å; E160-K162 PolarHBondContact O-N 2.88Å; E160-K162 VanDerWaalsContact O-N 3.09Å; E160-K162 WeakPolarHBondContact OE2-CE 2.81Å; E160-K162 IonicContact OE2-NZ 2.72Å; E160-K162 PolarHBondContact OE2-NZ 3.5Å
163D78.2Confident74.3Confident55 Ų5579.7 Ų79.729%0.29440%0.4SS..G310 helixtrans-93.8-6.4179.9-56.5-55.9000111.8L159 E160 H161 K180L159-D163 HydrophobicContact CB-CB 4.41Å; E160-D163 WeakPolarHBondContact O-CA 3.48Å; E160-D163 WeakPolarHBondContact O-CB 3.44Å; E160-D163 PolarHBondContact O-N 3.46Å; H161-D163 PolarHBondContact O-N 3.25Å; D163-K180 HydrophobicContact CB-CD 4.21Å; D163-K180 IonicContact OD1-NZ 2.67Å; D163-K180 PolarHBondContact OD1-NZ 2.74Å; D163-K180 WeakPolarHBondContact OD2-CE 3.24Å; D163-K180 IonicContact OD2-NZ 2.75Å; D163-K180 PolarHBondContact OD2-NZ 3.41Å
164C75.1Confident73.6Confident19 Ų1980.5 Ų80.513%0.12841%0.409CS..SBendtrans-92.8124.8172.9-48.80000109.7H161 I166 M171 C176H161-C164 PolarHBondContact O-N 3.26Å; H161-C164 VanDerWaalsContact O-N 3.15Å; C164-I166 HydrophobicContact CB-CB 4.45Å; C164-I166 HydrophobicContact CB-CD1 4.32Å; C164-I166 HydrophobicContact CB-CG1 4.21Å; C164-I166 PolarHBondContact O-N 3.12Å; C164-M171 HydrophobicContact CB-SD 4.43Å; C164-C176 HydrophobicContact CB-CB 4.22Å; C164-C176 WeakPolarHBondContact CB-SG 3.41Å; C164-C176 WeakPolarHBondContact SG-CB 3.25Å; C164-C176 CovalentContact SG-SG 2.02Å; C164-C176 PolarHBondContact SG-SG 3.03Å
165D70.4Confident73.2Confident174 Ų17485.2 Ų85.293%0.9343%0.429SS*.  trans-8360.2169.9-164.821.2000110.5
166I65.2Low72.9Confident91 Ų9184 Ų8447%0.46742%0.423SS..SBendtrans-127.9144.9-177.8-54.6176.9000109C164 K168 T170C164-I166 HydrophobicContact CB-CB 4.45Å; C164-I166 HydrophobicContact CB-CD1 4.32Å; C164-I166 HydrophobicContact CB-CG1 4.21Å; C164-I166 PolarHBondContact O-N 3.12Å; I166-K168 PolarHBondContact O-N 2.9Å; I166-T170 HydrophobicContact CG2-CG2 4.34Å
167D60.7Low72.7Confident106 Ų10685 Ų8557%0.56743%0.432SS*.  trans-55.1126.4176.4-170.8-14.4000110.7K169 T170D167-K169 PolarHBondContact O-N 3.22Å; D167-K169 PolarHBondContact OD1-N 3.44Å; D167-K169 VanDerWaalsContact OD1-N 3.14Å; D167-T170 WeakPolarHBondContact O-CB 3.13Å; D167-T170 PolarHBondContact O-N 3.1Å
168K57Low72.7Confident193 Ų19380.6 Ų80.684%0.83941%0.41SS*.G310 helixtrans-55.9-24.8-179-69.5-175.8179179.50112.8I166 T170I166-K168 PolarHBondContact O-N 2.9Å; K168-T170 PolarHBondContact O-N 2.9Å
169K55.7Low72.4Confident151 Ų15181.4 Ų81.466%0.65741%0.414SS*.G310 helixtrans-67-20.3176.8-76.6-175.2177.6-179.70114.2E97 D167E97-K169 VanDerWaalsContact CD-O 3.31Å; D167-K169 PolarHBondContact O-N 3.22Å; D167-K169 PolarHBondContact OD1-N 3.44Å; D167-K169 VanDerWaalsContact OD1-N 3.14Å
170T57.1Low72.2Confident28 Ų2886.2 Ų86.217%0.17243%0.434CS..G310 helixtrans-85.7-9.4-175.8-63.90000113.5T95 K96 I166 D167 K168T95-T170 VanDerWaalsContact O-CB 3.26Å; T95-T170 WeakPolarHBondContact O-CB 3.23Å; T95-T170 WeakPolarHBondContact O-CG2 3.2Å; T95-T170 PolarHBondContact O-OG1 3.02Å; K96-T170 HydrophobicContact CB-CG2 4.24Å; I166-T170 HydrophobicContact CG2-CG2 4.34Å; D167-T170 WeakPolarHBondContact O-CB 3.13Å; D167-T170 PolarHBondContact O-N 3.1Å; K168-T170 PolarHBondContact O-N 2.9Å
171M58.6Low72.3Confident14 Ų1490 Ų907%0.06945%0.451CS..  trans-104.34.6-161-62.8-16075.700116.6H161 C164 K173 S174 C176H161-M171 HydrophobicContact CB-CE 4.34Å; H161-M171 HydrophobicContact CB-SD 4.08Å; H161-M171 VanDerWaalsContact CD2-CE 3.47Å; H161-M171 WeakPolarHBondContact CD2-CE 3.18Å; H161-M171 PolarHBondContact CD2-SD 3.43Å; C164-M171 HydrophobicContact CB-SD 4.43Å; M171-K173 PolarHBondContact O-N 3.27Å; M171-S174 PolarHBondContact O-N 3.35Å; M171-S174 VanDerWaalsContact O-O 3.11Å; M171-C176 VanDerWaalsContact CE-SG 3.5Å
172A65.8Low72.5Confident84 Ų8487 Ų8769%0.69445%0.448SS*.THydrogen-bonded Turntrans-58.7-28.8-177.400000113.5E97E97-A172 WeakPolarHBondContact OE1-CB 3.32Å
173K72.1Confident72.7Confident151 Ų15181.3 Ų81.366%0.65743%0.434SS*.THydrogen-bonded Turntrans-131.820.1178.7-65.2-179.2179.3175.80113.4E98 M171E98-K173 HydrophobicContact CG-CD 4.17Å; E98-K173 IonicContact OE1-NZ 2.66Å; E98-K173 PolarHBondContact OE1-NZ 3.15Å; M171-K173 PolarHBondContact O-N 3.27Å
174S78.3Confident72.9Confident41 Ų4181.7 Ų81.729%0.28743%0.433SS..  trans-132.1147.2-177.7-580000109.8M171M171-S174 PolarHBondContact O-N 3.35Å; M171-S174 VanDerWaalsContact O-O 3.11Å
175F80.7Confident73Confident108 Ų10885 Ų8547%0.47445%0.45SS..  trans-135.4160.3174.565.1-87.8000109.9L127 I158 A177L127-F175 HydrophobicContact CD1-CB 3.57Å; L127-F175 HydrophobicContact CD1-CD1 3.98Å; L127-F175 HydrophobicContact CD1-CD2 4.09Å; L127-F175 HydrophobicContact CD1-CG 3.61Å; L127-F175 HydrophobicContact CD2-CD1 3.7Å; L127-F175 HydrophobicContact CD2-CD2 4.27Å; L127-F175 HydrophobicContact CD2-CE1 3.68Å; L127-F175 HydrophobicContact CD2-CE2 4.25Å; L127-F175 HydrophobicContact CD2-CG 4Å; L127-F175 HydrophobicContact CD2-CZ 3.96Å; L127-F175 HydrophobicContact CG-CD1 4.49Å; L127-F175 HydrophobicContact CG-CG 4.49Å; I158-F175 HydrophobicContact CD1-CE2 4.21Å; I158-F175 HydrophobicContact CG1-CD2 4.44Å; I158-F175 HydrophobicContact CG1-CE2 4.17Å; I158-F175 HydrophobicContact CG2-CD2 4.06Å; F175-A177 HydrophobicContact CE2-CB 4.44Å
176C82.7Confident73.1Confident18 Ų1878.7 Ų78.712%0.12242%0.422CS..EExtended strand (participates in β ladder)trans-97.4142.3179.2-44.20000110.3L159 C164 M171L159-C176 HydrophobicContact CB-CB 4.18Å; L159-C176 PolarHBondContact N-O 2.66Å; C164-C176 HydrophobicContact CB-CB 4.22Å; C164-C176 WeakPolarHBondContact CB-SG 3.41Å; C164-C176 WeakPolarHBondContact SG-CB 3.25Å; C164-C176 CovalentContact SG-SG 2.02Å; C164-C176 PolarHBondContact SG-SG 3.03Å; M171-C176 VanDerWaalsContact CE-SG 3.5Å
177A86.1Confident72.9Confident26 Ų2676.1 Ų76.122%0.21541%0.412CS..EExtended strand (participates in β ladder)trans-135.9133.8168.900000109V156 N157 F175V156-A177 HydrophobicContact CB-CB 4.26Å; V156-A177 HydrophobicContact CG2-CB 3.79Å; N157-A177 CarbonylContact O-C 3.52Å; N157-A177 WeakPolarHBondContact O-CA 3.23Å; F175-A177 HydrophobicContact CE2-CB 4.44Å
178G85.9Confident72.7Confident5 Ų579 Ų795%0.05242%0.421CS..EExtended strand (participates in β ladder)trans168.9-156.8-178.800000111.8N157 K184N157-G178 PolarHBondContact N-O 2.98Å; N157-G178 PolarHBondContact O-N 3.16Å; G178-K184 VanDerWaalsContact CA-O 3.27Å; G178-K184 WeakPolarHBondContact CA-O 3.12Å
179N81.4Confident72.4Confident56 Ų5677.1 Ų77.130%0.29942%0.416SS..  trans-118.2129.5169.2-176.110.3000110E181 G182 K184N179-E181 PolarHBondContact O-N 2.77Å; N179-E181 PolarHBondContact OD1-N 2.7Å; N179-G182 WeakPolarHBondContact CB-O 3.42Å; N179-G182 PolarHBondContact ND2-O 2.64Å; N179-G182 VanDerWaalsContact ND2-O 3.15Å; N179-G182 WeakPolarHBondContact O-CA 3.29Å; N179-G182 PolarHBondContact O-N 3.5Å; N179-K184 HydrophobicContact CB-CB 3.89Å; N179-K184 HydrophobicContact CB-CD 4.36Å; N179-K184 HydrophobicContact CB-CG 4.3Å; N179-K184 PolarHBondContact N-O 2.86Å; N179-K184 VanDerWaalsContact N-O 3.16Å
180K77.1Confident71.6Confident131 Ų13172.7 Ų72.757%0.5741%0.408SS*.THydrogen-bonded Turntrans-59.3-30179.7-64.2-171.4-172.1-172.80112.7L159 D163 G182L159-K180 HydrophobicContact CD1-CG 4.33Å; L159-K180 HydrophobicContact CD2-CG 3.85Å; D163-K180 HydrophobicContact CB-CD 4.21Å; D163-K180 IonicContact OD1-NZ 2.67Å; D163-K180 PolarHBondContact OD1-NZ 2.74Å; D163-K180 WeakPolarHBondContact OD2-CE 3.24Å; D163-K180 IonicContact OD2-NZ 2.75Å; D163-K180 PolarHBondContact OD2-NZ 3.41Å; K180-G182 PolarHBondContact O-N 3.26Å
181E79.7Confident70.7Confident179 Ų17978.3 Ų78.384%0.83643%0.432SS*.THydrogen-bonded Turntrans-82.11.7177.4-60.9-179.517300112.7N179N179-E181 PolarHBondContact O-N 2.77Å; N179-E181 PolarHBondContact OD1-N 2.7Å
182G78.8Confident69.8Low37 Ų3780.1 Ų80.138%0.38145%0.446SS..SBendtrans78.2-169.6-172.300000112.9N179 K180 K184N179-G182 WeakPolarHBondContact CB-O 3.42Å; N179-G182 PolarHBondContact ND2-O 2.64Å; N179-G182 VanDerWaalsContact ND2-O 3.15Å; N179-G182 WeakPolarHBondContact O-CA 3.29Å; N179-G182 PolarHBondContact O-N 3.5Å; K180-G182 PolarHBondContact O-N 3.26Å; G182-K184 PolarHBondContact O-N 3.26Å
183G79.8Confident68.7Low40 Ų4082.1 Ų82.141%0.41245%0.45SS..SBendtrans81.7-8.3177.100000115.5N3 V4 G5N3-G183 CarbonylContact O-C 3.29Å; N3-G183 VanDerWaalsContact O-CA 3.24Å; N3-G183 WeakPolarHBondContact O-CA 3.16Å; V4-G183 CarbonylContact C-O 3.5Å; G5-G183 WeakPolarHBondContact CA-O 3.41Å; G5-G183 PolarHBondContact N-O 3.15Å
184K81.9Confident67.8Low63 Ų6382 Ų8227%0.27445%0.451SS..  trans-144.4106.7179.3-60.6-175174.9-163.50110.1V4 V154 D155 V156 G178 N179 G182V4-K184 VanDerWaalsContact O-CA 3.29Å; V4-K184 WeakPolarHBondContact O-CA 3.43Å; V154-K184 HydrophobicContact CG2-CB 3.91Å; V154-K184 HydrophobicContact CG2-CD 4.25Å; V154-K184 HydrophobicContact CG2-CG 3.9Å; D155-K184 WeakPolarHBondContact O-CD 3.42Å; D155-K184 IonicContact OD1-NZ 2.68Å; D155-K184 PolarHBondContact OD1-NZ 3.16Å; D155-K184 IonicContact OD2-NZ 3.34Å; D155-K184 PolarHBondContact OD2-NZ 2.71Å; V156-K184 HydrophobicContact CG1-CB 4.46Å; G178-K184 VanDerWaalsContact CA-O 3.27Å; G178-K184 WeakPolarHBondContact CA-O 3.12Å; N179-K184 HydrophobicContact CB-CB 3.89Å; N179-K184 HydrophobicContact CB-CD 4.36Å; N179-K184 HydrophobicContact CB-CG 4.3Å; N179-K184 PolarHBondContact N-O 2.86Å; N179-K184 VanDerWaalsContact N-O 3.16Å; G182-K184 PolarHBondContact O-N 3.26Å
185D77.2Confident67.5Low89 Ų8984.3 Ų84.348%0.47646%0.46SS..SBendtrans-158.4160.2-178.9-164.65.1000111.5V4 C187V4-D185 PolarHBondContact O-N 2.97Å; D185-C187 PolarHBondContact O-N 3.24Å
186A72.9Confident67.2Low41 Ų4180.5 Ų80.534%0.33945%0.446SS..  trans-76.296159.400000108I135 Q188I135-A186 HydrophobicContact CD1-CB 3.97Å; I135-A186 HydrophobicContact CG2-CB 4.1Å; A186-Q188 PolarHBondContact O-N 3.13Å
187C61.8Low67.4Low38 Ų3883.9 Ų83.926%0.25746%0.46SS..  trans-50.4106177.3-1590000110.9V4 S140 D185V4-C187 HydrophobicContact CB-CB 4.37Å; V4-C187 HydrophobicContact CG1-CB 3.56Å; V4-C187 HydrophobicContact CG2-CB 4.2Å; S140-C187 WeakPolarHBondContact O-CB 2.89Å; D185-C187 PolarHBondContact O-N 3.24Å
188Q56.7Low67.8Low165 Ų16583 Ų8377%0.77145%0.452SS*.  trans-110.8134.1158.7-63.9-169.23.700105.7A186 A190A186-Q188 PolarHBondContact O-N 3.13Å; Q188-A190 PolarHBondContact O-N 3.24Å
189E49.6Very low68.2Low155 Ų15582.8 Ų82.872%0.72445%0.449SS*.  trans-41.8102-173.6-68.2177.3-17800111.3
190A40Very low68.6Low58 Ų5883 Ų8348%0.47945%0.451SS..  trans-91.4123.3168.700000106.5N143 Q188 S192N143-A190 PolarHBondContact ND2-O 2.73Å; N143-A190 PolarHBondContact OD1-O 3.06Å; Q188-A190 PolarHBondContact O-N 3.24Å; A190-S192 PolarHBondContact O-N 2.87Å
191E37.3Very low69.1Low146 Ų14678.2 Ų78.268%0.68243%0.433SS*.  trans-57.4102.7174.8-70.6-175.9165.800109.3
192S40.1Very low69Low51 Ų5176.3 Ų76.336%0.35742%0.422SS..  trans-69.7135.2170.184.20000109.8A190 H194 N253A190-S192 PolarHBondContact O-N 2.87Å; S192-H194 VanDerWaalsContact C-N 3.26Å; S192-H194 PolarHBondContact O-N 3.27Å; S192-N253 PolarHBondContact N-ND2 3.14Å; S192-N253 VanDerWaalsContact N-ND2 3.12Å; S192-N253 WeakPolarHBondContact O-CB 3.47Å; S192-N253 PolarHBondContact O-ND2 2.97Å; S192-N253 PolarHBondContact O-OD1 2.84Å; S192-N253 PolarHBondContact OG-ND2 2.8Å
193T43Very low68.7Low127 Ų12777.9 Ų77.978%0.77942%0.419SS*.  trans-86.27-174.653.50000113.7
194H53.2Low68.4Low147 Ų14780.3 Ų80.368%0.68143%0.43SS*.PPolyproline II helixtrans-78.6129.1-176.8-73.710.2000111.4S192 V196 N253S192-H194 VanDerWaalsContact C-N 3.26Å; S192-H194 PolarHBondContact O-N 3.27Å; H194-V196 PolarHBondContact O-N 3.02Å; H194-N253 WeakPolarHBondContact O-CB 3.44Å
195D70.9Confident68.3Low90 Ų9078.6 Ų78.648%0.48142%0.422SS..PPolyproline II helixtrans-64.8118.1175.8-100.6-52.7000111R248 P251 G252D195-R248 IonicContact OD1-NH1 2.83Å; D195-R248 PolarHBondContact OD1-NH1 2.93Å; D195-P251 WeakPolarHBondContact OD1-CA 3.17Å; D195-P251 VanDerWaalsContact OD1-CB 3.27Å; D195-P251 WeakPolarHBondContact OD1-CB 3.34Å; D195-G252 PolarHBondContact OD1-N 3.08Å
196V76.1Confident67.9Low28 Ų2877.3 Ų77.317%0.1742%0.415CS..PPolyproline II helixtrans-92.5121.5176173.30000109.5H194 R248 G252 N253 F328 M333H194-V196 PolarHBondContact O-N 3.02Å; V196-R248 PolarHBondContact O-NE 3.46Å; V196-R248 PolarHBondContact O-NH1 2.77Å; V196-R248 PolarHBondContact O-NH2 2.94Å; V196-G252 PolarHBondContact N-O 2.91Å; V196-N253 HydrophobicContact CG2-CB 4.01Å; V196-F328 HydrophobicContact CB-CB 4.43Å; V196-F328 HydrophobicContact CB-CD2 3.79Å; V196-F328 HydrophobicContact CB-CG 4.5Å; V196-F328 HydrophobicContact CG1-CB 4.07Å; V196-F328 HydrophobicContact CG1-CD2 3.92Å; V196-F328 HydrophobicContact CG1-CG 4.23Å; V196-F328 HydrophobicContact CG2-CB 4.24Å; V196-F328 HydrophobicContact CG2-CD2 4.2Å; V196-M333 HydrophobicContact CG1-CE 4.05Å; V196-M333 HydrophobicContact CG1-SD 3.37Å; V196-M333 WeakPolarHBondContact CG1-SD 3.49Å
197E86.5Confident67.7Low89 Ų8981.3 Ų81.342%0.41642%0.421SS..PPolyproline II helixtrans-69.6142.3177.2-63.1-167.6171.200112.5L200 R419E197-L200 HydrophobicContact CB-CD1 4.13Å; E197-L200 WeakPolarHBondContact OE2-CD1 3.4Å; E197-R419 IonicContact OE1-NH2 3.7Å; E197-R419 IonicContact OE2-CZ 3.71Å; E197-R419 IonicContact OE2-NH1 2.73Å; E197-R419 PolarHBondContact OE2-NH1 3.24Å; E197-R419 IonicContact OE2-NH2 2.6Å; E197-R419 PolarHBondContact OE2-NH2 3.33Å
198C93.5Very high67.7Low8 Ų885.9 Ų85.95%0.05444%0.443CS..SBendtrans-81.8161.8177.262.80000112.4L200 P334 C336 R419C198-L200 PolarHBondContact O-N 2.76Å; C198-P334 WeakPolarHBondContact CA-O 3.33Å; C198-P334 HydrophobicContact CB-CG 4.11Å; C198-C336 HydrophobicContact CB-CB 4.02Å; C198-C336 WeakPolarHBondContact CB-SG 3.16Å; C198-C336 PolarHBondContact O-SG 3.14Å; C198-C336 WeakPolarHBondContact SG-CA 3.36Å; C198-C336 WeakPolarHBondContact SG-CB 3.26Å; C198-C336 CovalentContact SG-SG 2.05Å; C198-C336 PolarHBondContact SG-SG 2.91Å; C198-R419 PolarHBondContact O-NH1 3.03Å
199G93.9Very high67.6Low0 Ų079.4 Ų79.40%042%0.42CS..SBendtrans68.619166.500000114.7P334 F420G199-P334 PolarHBondContact N-O 3.27Å; G199-F420 WeakPolarHBondContact CA-O 3.35Å; G199-F420 WeakPolarHBondContact O-CD2 3.08Å; G199-F420 PolarHBondContact O-N 2.83Å
200L90.3Very high67.2Low62 Ų6280 Ų8033%0.32543%0.429SS..  trans-126.590.4-178.5-69.6176.2000109.7E197 C198 R419E197-L200 HydrophobicContact CB-CD1 4.13Å; E197-L200 WeakPolarHBondContact OE2-CD1 3.4Å; C198-L200 PolarHBondContact O-N 2.76Å; L200-R419 HydrophobicContact CD2-CG 3.9Å; L200-R419 HydrophobicContact CG-CG 4.22Å
201P87.4Confident67.3Low30 Ų3083.2 Ų83.220%0.19544%0.438CS..  trans-66.8142.2175.929.7-33.4000110.4F205 P225 W226 F420P201-F205 HydrophobicContact CG-CB 4.49Å; P201-P225 HydrophobicContact CB-CG 3.91Å; P201-W226 HydrophobicContact CB-CZ3 4.39Å; P201-W226 HydrophobicContact CG-CH2 4.33Å; P201-W226 HydrophobicContact CG-CZ3 4.42Å; P201-F420 HydrophobicContact CG-CD2 4.34Å; P201-F420 HydrophobicContact CG-CE2 4Å
202K77.4Confident67.2Low138 Ų13888.1 Ų88.160%0.645%0.45SS*.SBendtrans-79.1-35.1175.9-66.6-67-169.6-178.60112.1D330 M333K202-D330 HydrophobicContact CB-CB 4.03Å; K202-D330 HydrophobicContact CG-CB 4.16Å; K202-M333 HydrophobicContact CD-CE 4.4Å; K202-M333 HydrophobicContact CG-CE 3.82Å
203H72.8Confident67Low70 Ų7088.9 Ų88.932%0.32445%0.45SS..SBendtrans-80.2146.2171.4-61.7-82.2000110.6F205 D330H203-F205 PolarHBondContact O-N 3.14Å; H203-D330 PolarHBondContact CD2-O 3.27Å
204S74Confident67Low92 Ų9288.2 Ų88.264%0.64345%0.445SS*.  trans-60.7131.1178.1-56.80000111L220 S223S204-L220 WeakPolarHBondContact O-CD1 3.38Å; S204-S223 WeakPolarHBondContact O-CB 3.34Å
205F79.1Confident67.6Low26 Ų2682.1 Ų82.111%0.11442%0.422CS..  trans-94.1114.4172.2-172.6-81.4000109.1P201 H203 R207 V224 Y351 V370 F420P201-F205 HydrophobicContact CG-CB 4.49Å; H203-F205 PolarHBondContact O-N 3.14Å; F205-R207 HydrophobicContact CD1-CG 4.26Å; F205-R207 PolarHBondContact O-N 2.8Å; F205-V224 HydrophobicContact CD2-CG2 4.27Å; F205-V224 HydrophobicContact CE2-CG2 3.87Å; F205-Y351 AromaticContact CE1-CD1 3.8Å; F205-Y351 HydrophobicContact CE1-CD1 3.8Å; F205-Y351 AromaticContact CE1-CD2 3.93Å; F205-Y351 HydrophobicContact CE1-CD2 3.93Å; F205-Y351 AromaticContact CE1-CE1 3.83Å; F205-Y351 HydrophobicContact CE1-CE1 3.83Å; F205-Y351 AromaticContact CE1-CE2 3.99Å; F205-Y351 HydrophobicContact CE1-CE2 3.99Å; F205-Y351 AromaticContact CE1-CG 3.85Å; F205-Y351 HydrophobicContact CE1-CG 3.85Å; F205-Y351 AromaticContact CE1-CZ 3.93Å; F205-Y351 AromaticContact CZ-CD1 3.94Å; F205-Y351 HydrophobicContact CZ-CD1 3.94Å; F205-Y351 HydrophobicContact CZ-CD2 4.05Å; F205-Y351 HydrophobicContact CZ-CE1 4.44Å; F205-Y351 AromaticContact CZ-CG 3.72Å; F205-Y351 HydrophobicContact CZ-CG 3.72Å; F205-V370 HydrophobicContact CZ-CG1 3.83Å; F205-F420 HydrophobicContact CB-CZ 4.07Å; F205-F420 HydrophobicContact CD1-CE1 4.25Å; F205-F420 AromaticContact CD1-CZ 3.8Å; F205-F420 HydrophobicContact CD1-CZ 3.8Å; F205-F420 HydrophobicContact CD2-CE1 4.26Å; F205-F420 AromaticContact CD2-CZ 3.94Å; F205-F420 HydrophobicContact CD2-CZ 3.94Å; F205-F420 HydrophobicContact CE1-CE1 4.17Å; F205-F420 HydrophobicContact CE1-CZ 4.19Å; F205-F420 HydrophobicContact CE2-CE1 4.16Å; F205-F420 HydrophobicContact CE2-CZ 4.31Å; F205-F420 HydrophobicContact CG-CE1 4.3Å; F205-F420 HydrophobicContact CG-CE2 4.5Å; F205-F420 AromaticContact CG-CZ 3.67Å; F205-F420 HydrophobicContact CG-CZ 3.67Å; F205-F420 HydrophobicContact CZ-CE1 4.12Å; F205-F420 HydrophobicContact CZ-CZ 4.42Å
206I69.9Low68Low63 Ų6378.5 Ų78.532%0.32341%0.406SS..  trans-71.5119.5174.9-65.4-179.6000108.6N208 W217 L220I206-N208 VanDerWaalsContact CG2-O 3.24Å; I206-N208 WeakPolarHBondContact CG2-O 3.16Å; I206-W217 WeakPolarHBondContact O-CZ2 3.11Å; I206-W217 PolarHBondContact O-NE1 2.85Å; I206-L220 HydrophobicContact CD1-CD1 3.69Å; I206-L220 HydrophobicContact CD1-CD2 3.76Å; I206-L220 HydrophobicContact CD1-CG 3.48Å; I206-L220 VanDerWaalsContact CD1-CG 3.48Å; I206-L220 HydrophobicContact CG1-CD1 3.61Å; I206-L220 HydrophobicContact CG1-CG 3.76Å
207R68.6Low68.5Low125 Ų12577.9 Ų77.947%0.47240%0.4SS..SBendtrans-84.9-26.6-177.9-64.4-178-175.2-173.4-0.3113.3F205 W217 Y351F205-R207 HydrophobicContact CD1-CG 4.26Å; F205-R207 PolarHBondContact O-N 2.8Å; R207-W217 VanDerWaalsContact O-CH2 3.3Å; R207-W217 WeakPolarHBondContact O-CH2 3.42Å; R207-W217 WeakPolarHBondContact O-CZ2 2.86Å; R207-Y351 WeakPolarHBondContact CB-OH 3.24Å; R207-Y351 WeakPolarHBondContact O-CE1 3.32Å
208N61.5Low68.5Low133 Ų13377.9 Ų77.971%0.71140%0.4SS*.  trans-142.5117.5175.6-74.1-24.1000108.6I206I206-N208 VanDerWaalsContact CG2-O 3.24Å; I206-N208 WeakPolarHBondContact CG2-O 3.16Å
209G54.1Low68.3Low29 Ų2977.7 Ų77.730%0.29940%0.399SS..  trans-97.1119.6171.500000111N211G209-N211 VanDerWaalsContact C-N 3.27Å; G209-N211 PolarHBondContact O-N 2.94Å
210D41.1Very low67.9Low169 Ų16981 Ų8190%0.90442%0.416SS*.  trans-71.783.5163.7-81.5-26.9000108.3
211N41.9Very low67.6Low125 Ų12581 Ų8167%0.66842%0.42SS*.  trans-150148.9174.4-112.5-26.5000114.8G209 I213G209-N211 VanDerWaalsContact C-N 3.27Å; G209-N211 PolarHBondContact O-N 2.94Å; N211-I213 PolarHBondContact O-N 2.83Å
212R37Very low67.5Low249 Ų24981 Ų8194%0.9442%0.418SS*.  trans-71.212.1-167.8-75.5-171.4-175.81100.4116.5
213I34.5Very low68Low67 Ų6774.6 Ų74.634%0.34439%0.39SS..SBendtrans-85.6135.8-178.9-56.9-173000108.5N211 G215 I358N211-I213 PolarHBondContact O-N 2.83Å; I213-G215 PolarHBondContact O-N 2.94Å; I213-I358 HydrophobicContact CG2-CG2 3.64Å
214V43.9Very low69.1Low113 Ų11371.5 Ų71.569%0.68538%0.376SS*.SBendtrans-64.8106.1-177.1-178.60000108.7
215G66.1Low70.1Confident19 Ų1967.3 Ų67.320%0.19635%0.347CS..SBendtrans102.6-52.2170.300000115.2I213 V371 G400 K401I213-G215 PolarHBondContact O-N 2.94Å; G215-V371 WeakPolarHBondContact O-CG2 3.11Å; G215-G400 WeakPolarHBondContact CA-O 3.45Å; G215-G400 PolarHBondContact N-O 3.03Å; G215-K401 VanDerWaalsContact O-CE 3.23Å; G215-K401 WeakPolarHBondContact O-CE 3.34Å; G215-K401 WeakPolarHBondContact O-CG 3.27Å
216G78.6Confident71Confident13 Ų1366 Ų6613%0.13434%0.341CS..  trans-120.2-168.5-172.700000115.3V370G216-V370 CarbonylContact C-O 3.51Å; G216-V370 WeakPolarHBondContact CA-O 3.35Å
217W85.6Confident72.3Confident16 Ų1663.2 Ų63.26%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-142.4158.417359.495.3000111.2I206 R207 A219 Y351 Q369 V370 D372I206-W217 WeakPolarHBondContact O-CZ2 3.11Å; I206-W217 PolarHBondContact O-NE1 2.85Å; R207-W217 VanDerWaalsContact O-CH2 3.3Å; R207-W217 WeakPolarHBondContact O-CH2 3.42Å; R207-W217 WeakPolarHBondContact O-CZ2 2.86Å; W217-A219 PolarHBondContact O-N 3.34Å; W217-Y351 HydrophobicContact CH2-CD1 4.27Å; W217-Y351 HydrophobicContact CH2-CE1 4.04Å; W217-Y351 HydrophobicContact CZ2-CD1 4.28Å; W217-Y351 HydrophobicContact CZ2-CE1 4.08Å; W217-Q369 PolarHBondContact O-OE1 3.02Å; W217-V370 HydrophobicContact CZ2-CG1 4.07Å; W217-V370 PolarHBondContact N-O 3.15Å; W217-V370 PolarHBondContact O-N 2.65Å; W217-D372 HydrophobicContact CH2-CB 4.19Å; W217-D372 WeakPolarHBondContact CZ3-OD1 3.43Å
218E87.2Confident73.7Confident88 Ų8857.3 Ų57.341%0.41130%0.304SS..EExtended strand (participates in β ladder)trans-65.2130.7172-180170152.200110H286 T367E218-H286 IonicContact OE1-CE1 2.85Å; E218-H286 IonicContact OE1-NE2 2.65Å; E218-H286 PolarHBondContact OE1-NE2 3.18Å; E218-T367 VanDerWaalsContact CD-OG1 3.29Å; E218-T367 WeakPolarHBondContact OE1-CG2 3.17Å; E218-T367 WeakPolarHBondContact OE2-CB 3.42Å; E218-T367 PolarHBondContact OE2-OG1 2.92Å
219A89.4Confident75.3Confident4 Ų452.2 Ų52.23%0.03328%0.275CS..PPolyproline II helixtrans-59.8152173.600000110.7W217 V224 H286 L368 V370W217-A219 PolarHBondContact O-N 3.34Å; A219-V224 HydrophobicContact CB-CG2 4.15Å; A219-H286 PolarHBondContact O-CE1 2.79Å; A219-L368 HydrophobicContact CB-CB 4.24Å; A219-L368 HydrophobicContact CB-CD2 4.17Å; A219-L368 HydrophobicContact CB-CG 4.11Å; A219-L368 PolarHBondContact N-O 3.19Å; A219-V370 HydrophobicContact CB-CG2 3.81Å
220L86.4Confident77.3Confident69 Ų6950.9 Ų50.936%0.36126%0.261SS..PPolyproline II helixtrans-64.1140.9161.7-74.5-179.5000108.4S204 I206 H222 S223S204-L220 WeakPolarHBondContact O-CD1 3.38Å; I206-L220 HydrophobicContact CD1-CD1 3.69Å; I206-L220 HydrophobicContact CD1-CD2 3.76Å; I206-L220 HydrophobicContact CD1-CG 3.48Å; I206-L220 VanDerWaalsContact CD1-CG 3.48Å; I206-L220 HydrophobicContact CG1-CD1 3.61Å; I206-L220 HydrophobicContact CG1-CG 3.76Å; L220-H222 PolarHBondContact O-N 3.33Å; L220-H222 VanDerWaalsContact O-N 3.14Å; L220-S223 PolarHBondContact N-OG 3.32Å; L220-S223 VanDerWaalsContact O-CB 3.3Å; L220-S223 WeakPolarHBondContact O-CB 3.44Å; L220-S223 PolarHBondContact O-N 3.06Å; L220-S223 PolarHBondContact O-OG 3.46Å
221P83.9Confident79.8Confident63 Ų6343.9 Ų43.941%0.40922%0.223SC..THydrogen-bonded Turntrans-48.3126.6177.4-29.634.8000111.6S223 H286P221-S223 PolarHBondContact O-N 2.91Å; P221-S223 VanDerWaalsContact O-N 3.17Å; P221-H286 HydrophobicContact CB-CB 4.33Å
222H83.8Confident82.1Confident31 Ų3138.3 Ų38.314%0.14419%0.193CC..THydrogen-bonded Turntrans61.915.4179.4-43-74000115.9L220 V224 G284 T331L220-H222 PolarHBondContact O-N 3.33Å; L220-H222 VanDerWaalsContact O-N 3.14Å; H222-V224 VanDerWaalsContact C-N 3.27Å; H222-V224 PolarHBondContact O-N 2.83Å; H222-G284 PolarHBondContact CE1-O 2.86Å; H222-G284 PolarHBondContact ND1-O 3.08Å; H222-T331 HydrophobicContact CB-CG2 3.57Å; H222-T331 VanDerWaalsContact CG-CG2 3.48Å
223S88.1Confident84.7Confident2 Ų227.6 Ų27.61%0.01415%0.153CC..SBendtrans-76.6-10.4176.974.30000114.6S204 L220 P221 P225S204-S223 WeakPolarHBondContact O-CB 3.34Å; L220-S223 PolarHBondContact N-OG 3.32Å; L220-S223 VanDerWaalsContact O-CB 3.3Å; L220-S223 WeakPolarHBondContact O-CB 3.44Å; L220-S223 PolarHBondContact O-N 3.06Å; L220-S223 PolarHBondContact O-OG 3.46Å; P221-S223 PolarHBondContact O-N 2.91Å; P221-S223 VanDerWaalsContact O-N 3.17Å; S223-P225 VanDerWaalsContact O-CD 3.26Å; S223-P225 WeakPolarHBondContact O-CD 3.21Å
224V95.5Very high87.1Confident6 Ų626.2 Ų26.24%0.03615%0.146CC..SBendtrans-118.865.7175.8-162.20000109.9F205 A219 H222 W226 Q227 L368 V370F205-V224 HydrophobicContact CD2-CG2 4.27Å; F205-V224 HydrophobicContact CE2-CG2 3.87Å; A219-V224 HydrophobicContact CB-CG2 4.15Å; H222-V224 VanDerWaalsContact C-N 3.27Å; H222-V224 PolarHBondContact O-N 2.83Å; V224-W226 HydrophobicContact CG1-CD2 4.49Å; V224-W226 HydrophobicContact CG1-CZ2 4.04Å; V224-W226 VanDerWaalsContact CG1-NE1 3.35Å; V224-W226 PolarHBondContact O-N 3.43Å; V224-Q227 HydrophobicContact CB-CB 4.37Å; V224-Q227 HydrophobicContact CG1-CB 4.05Å; V224-Q227 VanDerWaalsContact O-CB 3.28Å; V224-Q227 WeakPolarHBondContact O-CB 3.36Å; V224-Q227 PolarHBondContact O-N 3.2Å; V224-L368 HydrophobicContact CB-CD2 3.73Å; V224-L368 HydrophobicContact CG2-CD2 3.84Å; V224-V370 HydrophobicContact CG2-CG2 3.92Å
225P95.5Very high89.1Confident3 Ų326.8 Ų26.82%0.01915%0.145CC..THydrogen-bonded Turntrans-71.2-8.4-163.931.8-41.2000114.7P201 S223 T331 I332 M333P201-P225 HydrophobicContact CB-CG 3.91Å; S223-P225 VanDerWaalsContact O-CD 3.26Å; S223-P225 WeakPolarHBondContact O-CD 3.21Å; P225-T331 WeakPolarHBondContact CA-O 3.42Å; P225-T331 VanDerWaalsContact CB-O 3.28Å; P225-T331 WeakPolarHBondContact CB-O 3.48Å; P225-I332 WeakPolarHBondContact O-CA 3.09Å; P225-M333 CarbonylContact C-O 3.6Å; P225-M333 HydrophobicContact CB-CB 3.87Å; P225-M333 HydrophobicContact CB-CG 4.22Å; P225-M333 HydrophobicContact CG-CB 3.7Å; P225-M333 HydrophobicContact CG-CG 4.17Å; P225-M333 PolarHBondContact O-N 3.42Å
226W98Very high89.8Confident0 Ų031.7 Ų31.70%017%0.167CC..THydrogen-bonded Turntrans-89.6-10.7172.949.178.4000113.7P201 V224 V228 S245 L246 M333 V335 V413 F420P201-W226 HydrophobicContact CB-CZ3 4.39Å; P201-W226 HydrophobicContact CG-CH2 4.33Å; P201-W226 HydrophobicContact CG-CZ3 4.42Å; V224-W226 HydrophobicContact CG1-CD2 4.49Å; V224-W226 HydrophobicContact CG1-CZ2 4.04Å; V224-W226 VanDerWaalsContact CG1-NE1 3.35Å; V224-W226 PolarHBondContact O-N 3.43Å; W226-V228 PolarHBondContact O-N 3.26Å; W226-S245 CarbonylContact O-C 3.57Å; W226-S245 WeakPolarHBondContact O-CA 3.26Å; W226-L246 PolarHBondContact O-N 3.21Å; W226-M333 WeakPolarHBondContact CA-O 3.42Å; W226-M333 VanDerWaalsContact CB-O 3.23Å; W226-M333 WeakPolarHBondContact CB-O 3.39Å; W226-M333 PolarHBondContact N-O 2.89Å; W226-V335 HydrophobicContact CB-CB 3.84Å; W226-V335 HydrophobicContact CB-CG1 4.32Å; W226-V335 HydrophobicContact CD2-CB 3.86Å; W226-V335 HydrophobicContact CD2-CG2 4.23Å; W226-V335 HydrophobicContact CE3-CB 4.25Å; W226-V335 HydrophobicContact CG-CB 3.66Å; W226-V335 HydrophobicContact CG-CG1 4.41Å; W226-V335 HydrophobicContact CG-CG2 4.38Å; W226-V413 HydrophobicContact CZ2-CG1 4.31Å; W226-V413 HydrophobicContact CZ2-CG2 4.22Å; W226-F420 HydrophobicContact CH2-CB 3.5Å; W226-F420 VanDerWaalsContact CH2-CB 3.5Å; W226-F420 AromaticContact CH2-CD1 3.86Å; W226-F420 HydrophobicContact CH2-CD1 3.86Å; W226-F420 AromaticContact CH2-CD2 3.57Å; W226-F420 HydrophobicContact CH2-CD2 3.57Å; W226-F420 HydrophobicContact CH2-CE1 4.43Å; W226-F420 HydrophobicContact CH2-CE2 4.19Å; W226-F420 AromaticContact CH2-CG 3.36Å; W226-F420 HydrophobicContact CH2-CG 3.36Å; W226-F420 HydrophobicContact CZ2-CB 3.88Å; W226-F420 AromaticContact CZ2-CD1 3.86Å; W226-F420 HydrophobicContact CZ2-CD1 3.86Å; W226-F420 HydrophobicContact CZ2-CD2 4.4Å; W226-F420 HydrophobicContact CZ2-CE1 4.46Å; W226-F420 AromaticContact CZ2-CG 3.8Å; W226-F420 HydrophobicContact CZ2-CG 3.8Å; W226-F420 HydrophobicContact CZ3-CB 4.06Å; W226-F420 HydrophobicContact CZ3-CD2 4.32Å; W226-F420 HydrophobicContact CZ3-CG 4.27Å
227Q97.7Very high90Very high4 Ų440.6 Ų40.62%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-65.6129.6-177-17767.955.600110.4V224 G244 S353 W355 L368 P411V224-Q227 HydrophobicContact CB-CB 4.37Å; V224-Q227 HydrophobicContact CG1-CB 4.05Å; V224-Q227 VanDerWaalsContact O-CB 3.28Å; V224-Q227 WeakPolarHBondContact O-CB 3.36Å; V224-Q227 PolarHBondContact O-N 3.2Å; Q227-G244 PolarHBondContact NE2-O 2.88Å; Q227-S353 PolarHBondContact OE1-O 3.16Å; Q227-S353 PolarHBondContact OE1-OG 3.45Å; Q227-W355 HydrophobicContact CB-CH2 4.21Å; Q227-W355 HydrophobicContact CG-CE3 4.31Å; Q227-W355 HydrophobicContact CG-CH2 3.34Å; Q227-W355 HydrophobicContact CG-CZ2 4.38Å; Q227-W355 HydrophobicContact CG-CZ3 3.3Å; Q227-L368 HydrophobicContact CB-CD2 4.29Å; Q227-L368 HydrophobicContact CG-CD1 3.87Å; Q227-L368 HydrophobicContact CG-CD2 4.28Å; Q227-P411 VanDerWaalsContact OE1-CG 3.24Å
228V97.9Very high90Very high0 Ų044.9 Ų44.90%022%0.22CC..EExtended strand (participates in β ladder)trans-113.4141.8173.8-173.70000108.9W226 L230 G243 G244 L246 V258 A281 V282 V283W226-V228 PolarHBondContact O-N 3.26Å; V228-L230 HydrophobicContact CG1-CD2 4.12Å; V228-L230 HydrophobicContact CG1-CG 4.42Å; V228-G243 CarbonylContact O-C 3.48Å; V228-G243 WeakPolarHBondContact O-CA 3.03Å; V228-G244 PolarHBondContact N-O 3.47Å; V228-G244 PolarHBondContact O-N 2.91Å; V228-L246 HydrophobicContact CG2-CB 4.46Å; V228-L246 HydrophobicContact CG2-CG 3.83Å; V228-V258 HydrophobicContact CB-CG1 4.22Å; V228-V258 HydrophobicContact CG1-CG1 4.16Å; V228-V258 HydrophobicContact CG1-CG2 4.4Å; V228-V258 HydrophobicContact CG2-CG1 4.01Å; V228-V258 HydrophobicContact CG2-CG2 4.08Å; V228-A281 HydrophobicContact CG1-CB 3.91Å; V228-V282 WeakPolarHBondContact CA-O 3.39Å; V228-V283 HydrophobicContact CB-CG1 4.38Å; V228-V283 HydrophobicContact CG1-CG1 4.04Å; V228-V283 HydrophobicContact CG2-CG1 3.88Å
229R95.7Very high90Very high26 Ų2643.3 Ų43.310%0.09822%0.215CC..EExtended strand (participates in β ladder)trans-105.1126.6161.2-167.4173.7-171.4161.55.1108.9H231 V282 F288 W355R229-H231 PolarHBondContact NE-CE1 3Å; R229-V282 HydrophobicContact CB-CB 4.37Å; R229-V282 PolarHBondContact N-O 2.86Å; R229-V282 PolarHBondContact O-N 3.02Å; R229-F288 HydrophobicContact CB-CE2 4.3Å; R229-F288 HydrophobicContact CB-CZ 3.8Å; R229-F288 HydrophobicContact CG-CZ 4.18Å; R229-F288 VanDerWaalsContact NH1-CG 3.26Å; R229-W355 HydrophobicContact CB-CE3 3.93Å; R229-W355 HydrophobicContact CB-CH2 4.45Å; R229-W355 HydrophobicContact CB-CZ3 3.71Å; R229-W355 HydrophobicContact CG-CE3 4.18Å; R229-W355 HydrophobicContact CG-CZ3 4.46Å
230L95.8Very high89.9Confident1 Ų144.2 Ų44.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-98.5126.4171.2-61.8170.3000108.4V228 M232 S241 C242 T260 I279 E280 A281 I320V228-L230 HydrophobicContact CG1-CD2 4.12Å; V228-L230 HydrophobicContact CG1-CG 4.42Å; L230-M232 HydrophobicContact CB-SD 4.17Å; L230-S241 CarbonylContact O-C 3.48Å; L230-S241 WeakPolarHBondContact O-CA 3.48Å; L230-S241 VanDerWaalsContact O-CB 3.25Å; L230-S241 WeakPolarHBondContact O-CB 3.43Å; L230-C242 HydrophobicContact CB-CB 4.27Å; L230-C242 HydrophobicContact CD1-CB 4.43Å; L230-C242 PolarHBondContact N-O 2.89Å; L230-C242 PolarHBondContact O-N 3.38Å; L230-T260 HydrophobicContact CD1-CG2 3.76Å; L230-T260 WeakPolarHBondContact CD1-OG1 3.35Å; L230-I279 HydrophobicContact CD2-CG2 4.33Å; L230-E280 CarbonylContact C-O 3.57Å; L230-E280 VanDerWaalsContact CA-O 3.27Å; L230-E280 WeakPolarHBondContact CA-O 3.5Å; L230-A281 HydrophobicContact CD2-CB 3.79Å; L230-I320 HydrophobicContact CD1-CD1 3.8Å; L230-I320 HydrophobicContact CD2-CD1 3.99Å
231H93.4Very high90.1Very high22 Ų2242.2 Ų42.210%0.10222%0.216CC..EExtended strand (participates in β ladder)trans-101.7129.8168.2-67.6-73.2000109R229 Y233 L238 I279 E280 F288R229-H231 PolarHBondContact NE-CE1 3Å; H231-Y233 HydrophobicContact CB-CE2 3.76Å; H231-Y233 WeakPolarHBondContact CB-OH 3.41Å; H231-L238 HydrophobicContact CB-CD1 3.85Å; H231-I279 WeakPolarHBondContact O-CA 3.36Å; H231-E280 HydrophobicContact CB-CB 4.48Å; H231-E280 PolarHBondContact N-O 3.01Å; H231-E280 PolarHBondContact O-N 3.1Å; H231-F288 AromaticContact NE2-CE1 3.75Å
232M91.2Very high90.6Very high9 Ų939.6 Ų39.64%0.04420%0.199CC..EExtended strand (participates in β ladder)trans-112.7134.4177.7-60.785.175.700109.8L230 D239 G240 C242 D278L230-M232 HydrophobicContact CB-SD 4.17Å; M232-D239 PolarHBondContact O-N 3.36Å; M232-G240 PolarHBondContact N-O 2.92Å; M232-G240 PolarHBondContact O-N 3.25Å; M232-C242 HydrophobicContact CE-CB 4.22Å; M232-C242 HydrophobicContact SD-CB 4.29Å; M232-D278 CarbonylContact C-O 3.57Å; M232-D278 WeakPolarHBondContact CA-O 3.4Å
233Y90.4Very high91.2Very high24 Ų2438.1 Ų38.19%0.09419%0.193CC..EExtended strand (participates in β ladder)trans-112.7155-177.7-60.1-84.3000111.4G26 H231 R237 L238 R274 D278 E280G26-Y233 PolarHBondContact O-OH 2.83Å; H231-Y233 HydrophobicContact CB-CE2 3.76Å; H231-Y233 WeakPolarHBondContact CB-OH 3.41Å; Y233-R237 CarbonylContact C-O 3.54Å; Y233-R237 VanDerWaalsContact CA-O 3.23Å; Y233-R237 WeakPolarHBondContact CA-O 3.5Å; Y233-L238 HydrophobicContact CD1-CB 4.38Å; Y233-L238 HydrophobicContact CD1-CD1 4.49Å; Y233-L238 HydrophobicContact CE1-CB 4.08Å; Y233-L238 HydrophobicContact CE1-CD1 3.91Å; Y233-R274 PolarHBondContact O-NH1 2.94Å; Y233-D278 PolarHBondContact N-O 3.21Å; Y233-E280 HydrophobicContact CE2-CB 4.19Å
234D85.9Confident91.7Very high38 Ų3838 Ų3820%0.20319%0.192CC..EExtended strand (participates in β ladder)trans-139.6116.6165.4-173.625.8000108D236 R237 D239 R270D234-D236 VanDerWaalsContact C-N 3.35Å; D234-D236 PolarHBondContact O-N 2.96Å; D234-R237 PolarHBondContact N-O 3.4Å; D234-R237 PolarHBondContact O-N 2.53Å; D234-D239 HydrophobicContact CB-CB 4.04Å; D234-R270 IonicContact OD1-CZ 2.7Å; D234-R270 IonicContact OD1-NH1 3.2Å; D234-R270 PolarHBondContact OD1-NH1 2.86Å; D234-R270 IonicContact OD1-NH2 2.74Å; D234-R270 PolarHBondContact OD1-NH2 2.86Å; D234-R270 IonicContact OD2-CZ 3.45Å; D234-R270 IonicContact OD2-NH1 2.66Å; D234-R270 IonicContact OD2-NH2 3.21Å; D234-R270 PolarHBondContact OD2-NH2 3.01Å
235N84.7Confident91.8Very high124 Ų12437.8 Ų37.866%0.66319%0.19SC*.THydrogen-bonded Turntrans50.251.5-171.4-54.7-59.9000112.8R237N235-R237 PolarHBondContact O-N 3.06Å
236D80.7Confident91.9Very high123 Ų12337.6 Ų37.666%0.65819%0.189SC*.THydrogen-bonded Turntrans61.211.7178.7-49.7-45.1000115.2D234D234-D236 VanDerWaalsContact C-N 3.35Å; D234-D236 PolarHBondContact O-N 2.96Å
237R84Confident91.8Very high199 Ų19937.6 Ų37.675%0.75119%0.189SC*.EExtended strand (participates in β ladder)trans-105.1137.1172.8-62.9-178-179-173.2-0.6110Y233 D234 N235 D239Y233-R237 CarbonylContact C-O 3.54Å; Y233-R237 VanDerWaalsContact CA-O 3.23Å; Y233-R237 WeakPolarHBondContact CA-O 3.5Å; D234-R237 PolarHBondContact N-O 3.4Å; D234-R237 PolarHBondContact O-N 2.53Å; N235-R237 PolarHBondContact O-N 3.06Å; R237-D239 PolarHBondContact O-N 2.87Å; R237-D239 VanDerWaalsContact O-N 3.14Å
238L85.3Confident91.4Very high107 Ų10738.8 Ų38.856%0.5619%0.194SC*.EExtended strand (participates in β ladder)trans-60.8116174.9-175.168.3000109.3H231 Y233H231-L238 HydrophobicContact CB-CD1 3.85Å; Y233-L238 HydrophobicContact CD1-CB 4.38Å; Y233-L238 HydrophobicContact CD1-CD1 4.49Å; Y233-L238 HydrophobicContact CE1-CB 4.08Å; Y233-L238 HydrophobicContact CE1-CD1 3.91Å
239D85.9Confident90.8Very high55 Ų5538.9 Ų38.929%0.29419%0.194SC..EExtended strand (participates in β ladder)trans-103-20.7-177.3-176.947.7000111.8M232 D234 R237 R274M232-D239 PolarHBondContact O-N 3.36Å; D234-D239 HydrophobicContact CB-CB 4.04Å; R237-D239 PolarHBondContact O-N 2.87Å; R237-D239 VanDerWaalsContact O-N 3.14Å; D239-R274 IonicContact OD2-CZ 3.11Å; D239-R274 IonicContact OD2-NH1 2.7Å; D239-R274 PolarHBondContact OD2-NH1 3.37Å; D239-R274 IonicContact OD2-NH2 2.92Å; D239-R274 PolarHBondContact OD2-NH2 2.67Å
240G87.7Confident90Very high23 Ų2341.1 Ų41.124%0.23720%0.204CC..EExtended strand (participates in β ladder)trans176-179.5172.800000113.6M232M232-G240 PolarHBondContact N-O 2.92Å; M232-G240 PolarHBondContact O-N 3.25Å
241S91.1Very high89Confident27 Ų2744.6 Ų44.619%0.18923%0.227CC..EExtended strand (participates in β ladder)trans-139.4151.7171.660.90000112.3L230L230-S241 CarbonylContact O-C 3.48Å; L230-S241 WeakPolarHBondContact O-CA 3.48Å; L230-S241 VanDerWaalsContact O-CB 3.25Å; L230-S241 WeakPolarHBondContact O-CB 3.43Å
242C94.8Very high88.3Confident7 Ų744.3 Ų44.35%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-131.7165.3172.2-87.60000110.3L230 M232 C264 S408L230-C242 HydrophobicContact CB-CB 4.27Å; L230-C242 HydrophobicContact CD1-CB 4.43Å; L230-C242 PolarHBondContact N-O 2.89Å; L230-C242 PolarHBondContact O-N 3.38Å; M232-C242 HydrophobicContact CE-CB 4.22Å; M232-C242 HydrophobicContact SD-CB 4.29Å; C242-C264 HydrophobicContact CB-CB 3.59Å; C242-C264 WeakPolarHBondContact CB-SG 3.3Å; C242-C264 WeakPolarHBondContact SG-CB 3.25Å; C242-C264 CovalentContact SG-SG 2.04Å; C242-C264 PolarHBondContact SG-SG 2.9Å; C242-S408 CarbonylContact C-O 3.58Å; C242-S408 WeakPolarHBondContact CA-O 3.02Å; C242-S408 WeakPolarHBondContact CB-O 3.39Å; C242-S408 PolarHBondContact SG-O 3.27Å
243G95.9Very high87.9Confident1 Ų144.2 Ų44.21%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-81.9170.3162.700000112.9V228 T260 S408 G409V228-G243 CarbonylContact O-C 3.48Å; V228-G243 WeakPolarHBondContact O-CA 3.03Å; G243-T260 PolarHBondContact O-OG1 3.32Å; G243-S408 PolarHBondContact N-O 3.45Å; G243-G409 VanDerWaalsContact C-C 3.47Å; G243-G409 CarbonylContact C-O 3.45Å; G243-G409 CarbonylContact O-C 3.5Å; G243-G409 VanDerWaalsContact O-C 3.29Å
244G98.1Very high87.6Confident0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-163.1175.3169.600000110.1Q227 V228 L259 G409Q227-G244 PolarHBondContact NE2-O 2.88Å; V228-G244 PolarHBondContact N-O 3.47Å; V228-G244 PolarHBondContact O-N 2.91Å; G244-L259 CarbonylContact C-O 3.52Å; G244-L259 WeakPolarHBondContact CA-O 3.49Å; G244-G409 WeakPolarHBondContact CA-O 3.09Å
245S98.5Very high87.9Confident0 Ų043.1 Ų43.10%023%0.228CC..EExtended strand (participates in β ladder)trans-129.1126.7179.1-52.90000110.5W226 V247 V258 L259 P411W226-S245 CarbonylContact O-C 3.57Å; W226-S245 WeakPolarHBondContact O-CA 3.26Å; S245-V247 PolarHBondContact O-N 3.18Å; S245-V258 WeakPolarHBondContact O-CA 3.47Å; S245-L259 PolarHBondContact N-O 2.72Å; S245-L259 PolarHBondContact O-N 2.86Å; S245-P411 WeakPolarHBondContact OG-CB 3.33Å
246L97.7Very high88.2Confident0 Ų040.2 Ų40.20%021%0.208CC..EExtended strand (participates in β ladder)trans-66.7124.9166.5-83.5170.1000109.1W226 V228 T255 V258 V283 I332 P334 V335W226-L246 PolarHBondContact O-N 3.21Å; V228-L246 HydrophobicContact CG2-CB 4.46Å; V228-L246 HydrophobicContact CG2-CG 3.83Å; L246-T255 HydrophobicContact CD2-CG2 3.66Å; L246-V258 HydrophobicContact CD2-CG2 4.09Å; L246-V283 HydrophobicContact CD1-CB 3.93Å; L246-V283 HydrophobicContact CD1-CG1 3.83Å; L246-V283 HydrophobicContact CD1-CG2 4.46Å; L246-V283 HydrophobicContact CD2-CG1 4.27Å; L246-V283 HydrophobicContact CG-CG1 4.04Å; L246-I332 HydrophobicContact CD1-CG2 3.4Å; L246-I332 VanDerWaalsContact CD1-CG2 3.4Å; L246-P334 WeakPolarHBondContact O-CA 3.47Å; L246-V335 PolarHBondContact O-N 3.39Å
247V95.8Very high88.9Confident0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-123.5146.2178.2-64.10000110.3S245 L249 T255 F257 L259 V335 L337 L422S245-V247 PolarHBondContact O-N 3.18Å; V247-L249 HydrophobicContact CG2-CD2 4.27Å; V247-L249 HydrophobicContact CG2-CG 4.33Å; V247-T255 WeakPolarHBondContact O-CB 3.46Å; V247-T255 PolarHBondContact O-OG1 2.76Å; V247-F257 HydrophobicContact CG2-CB 3.75Å; V247-F257 PolarHBondContact N-O 2.83Å; V247-F257 VanDerWaalsContact N-O 3.15Å; V247-L259 HydrophobicContact CG1-CB 4.33Å; V247-L259 HydrophobicContact CG1-CD1 3.83Å; V247-L259 HydrophobicContact CG1-CG 4.04Å; V247-L259 HydrophobicContact CG2-CD1 4.42Å; V247-L259 HydrophobicContact CG2-CG 4.04Å; V247-V335 HydrophobicContact CG1-CG1 4.11Å; V247-L337 HydrophobicContact CG1-CD2 3.93Å; V247-L337 HydrophobicContact CG1-CG 4.43Å; V247-L422 HydrophobicContact CG1-CD2 4.33Å
248R88.2Confident89.6Confident29 Ų2925.4 Ų25.411%0.10914%0.143CC..  trans-103.3116.6174.5-175.6173.677.1136.80.6109D195 V196 K250 G252 F328 P334D195-R248 IonicContact OD1-NH1 2.83Å; D195-R248 PolarHBondContact OD1-NH1 2.93Å; V196-R248 PolarHBondContact O-NE 3.46Å; V196-R248 PolarHBondContact O-NH1 2.77Å; V196-R248 PolarHBondContact O-NH2 2.94Å; R248-K250 WeakPolarHBondContact CD-O 3.16Å; R248-K250 WeakPolarHBondContact CG-O 3.5Å; R248-G252 PolarHBondContact NH1-O 3.24Å; R248-F328 HydrophobicContact CB-CE2 4.45Å; R248-F328 HydrophobicContact CB-CZ 4.14Å; R248-F328 HydrophobicContact CG-CE2 4.25Å; R248-F328 HydrophobicContact CG-CZ 4.37Å; R248-P334 HydrophobicContact CB-CB 3.67Å; R248-P334 HydrophobicContact CB-CG 3.8Å
249L86.4Confident90.2Very high1 Ų120.3 Ų20.31%0.00512%0.117CC..  trans-104.6-4.4178.9-59-173.8000113.4V247 F257 L319 L337 I451 A455 F462 L464V247-L249 HydrophobicContact CG2-CD2 4.27Å; V247-L249 HydrophobicContact CG2-CG 4.33Å; L249-F257 HydrophobicContact CB-CD2 3.99Å; L249-F257 HydrophobicContact CB-CE2 4.18Å; L249-F257 HydrophobicContact CD1-CB 4.14Å; L249-F257 HydrophobicContact CD1-CD1 3.91Å; L249-F257 HydrophobicContact CD1-CD2 3.75Å; L249-F257 HydrophobicContact CD1-CE1 4.23Å; L249-F257 HydrophobicContact CD1-CE2 4.07Å; L249-F257 HydrophobicContact CD1-CG 3.65Å; L249-F257 HydrophobicContact CD1-CZ 4.3Å; L249-F257 HydrophobicContact CG-CB 4.3Å; L249-F257 HydrophobicContact CG-CD2 3.89Å; L249-F257 HydrophobicContact CG-CE2 4.44Å; L249-F257 HydrophobicContact CG-CG 4.09Å; L249-L319 HydrophobicContact CD1-CD1 4.4Å; L249-L319 HydrophobicContact CD1-CD2 4.41Å; L249-L337 HydrophobicContact CD2-CD1 3.65Å; L249-I451 HydrophobicContact CD1-CG2 4.14Å; L249-I451 HydrophobicContact CD2-CG2 3.95Å; L249-A455 HydrophobicContact CD1-CB 3.74Å; L249-F462 HydrophobicContact CB-CE2 3.95Å; L249-F462 HydrophobicContact CD1-CE2 4.37Å; L249-L464 WeakPolarHBondContact O-CD2 3.08Å; L249-L464 WeakPolarHBondContact O-CG 3.25Å
250K78.3Confident90.7Very high73 Ų7317.7 Ų17.732%0.31710%0.103SC..SBendtrans-141.8152.5178-63.1-177.8-178.8-172.90110R248 K461R248-K250 WeakPolarHBondContact CD-O 3.16Å; R248-K250 WeakPolarHBondContact CG-O 3.5Å; K250-K461 WeakPolarHBondContact CE-O 3.27Å; K250-K461 PolarHBondContact NZ-O 3.05Å
251P75.3Confident91.1Very high74 Ų7416.6 Ų16.648%0.4819%0.091SC..SBendtrans-52.7155.5164.4-23.534.6000111.7D195D195-P251 WeakPolarHBondContact OD1-CA 3.17Å; D195-P251 VanDerWaalsContact OD1-CB 3.27Å; D195-P251 WeakPolarHBondContact OD1-CB 3.34Å
252G77.7Confident91.2Very high17 Ų1715.3 Ų15.318%0.1758%0.082CC..SBendtrans123.1-174-178.500000113.2D195 V196 R248D195-G252 PolarHBondContact OD1-N 3.08Å; V196-G252 PolarHBondContact N-O 2.91Å; R248-G252 PolarHBondContact NH1-O 3.24Å
253N82.5Confident91Very high7 Ų716.6 Ų16.64%0.0379%0.088CC..SBendtrans-104.811.2-175.276.1-23.6000113S192 H194 V196 F328S192-N253 PolarHBondContact N-ND2 3.14Å; S192-N253 VanDerWaalsContact N-ND2 3.12Å; S192-N253 WeakPolarHBondContact O-CB 3.47Å; S192-N253 PolarHBondContact O-ND2 2.97Å; S192-N253 PolarHBondContact O-OD1 2.84Å; S192-N253 PolarHBondContact OG-ND2 2.8Å; H194-N253 WeakPolarHBondContact O-CB 3.44Å; V196-N253 HydrophobicContact CG2-CB 4.01Å; N253-F328 WeakPolarHBondContact O-CB 3.47Å; N253-F328 WeakPolarHBondContact O-CD2 3.37Å; N253-F328 WeakPolarHBondContact O-CG 3.31Å; N253-F328 PolarHBondContact O-N 2.85Å
254S86Confident90.9Very high30 Ų3016.8 Ų16.821%0.219%0.089CC..EExtended strand (participates in β ladder)trans-147.5164.3-174.564.80000113.1T325 I326S254-T325 VanDerWaalsContact CB-CG2 3.49Å; S254-T325 WeakPolarHBondContact OG-CG2 3.23Å; S254-I326 CarbonylContact C-O 3.48Å; S254-I326 WeakPolarHBondContact CA-O 3.16Å; S254-I326 VanDerWaalsContact CB-O 3.24Å; S254-I326 WeakPolarHBondContact CB-O 3.33Å
255T91.6Very high90.6Very high8 Ų816.8 Ų16.85%0.0499%0.089CC..EExtended strand (participates in β ladder)trans-148.8162.5174-170.40000112.2L246 V247 F257 I326 F328L246-T255 HydrophobicContact CD2-CG2 3.66Å; V247-T255 WeakPolarHBondContact O-CB 3.46Å; V247-T255 PolarHBondContact O-OG1 2.76Å; T255-F257 PolarHBondContact OG1-N 2.76Å; T255-I326 PolarHBondContact N-O 2.8Å; T255-I326 WeakPolarHBondContact O-CB 3.08Å; T255-I326 PolarHBondContact O-N 3.34Å; T255-F328 HydrophobicContact CG2-CE1 3.5Å; T255-F328 HydrophobicContact CG2-CZ 3.6Å
256R91.5Very high90.1Very high63 Ų6318.5 Ų18.524%0.23810%0.095CC..EExtended strand (participates in β ladder)trans-122.98.1168.8-67.8177.862.5-168.8-4.6111.6E301 L321 L322 T325R256-E301 IonicContact CZ-OE2 3.77Å; R256-E301 IonicContact NH2-OE2 2.91Å; R256-E301 PolarHBondContact NH2-OE2 3.45Å; R256-L321 HydrophobicContact CB-CD1 3.72Å; R256-L321 CarbonylContact O-C 3.56Å; R256-L321 WeakPolarHBondContact O-CA 3.49Å; R256-L322 HydrophobicContact CB-CB 4.48Å; R256-L322 VanDerWaalsContact CZ-O 3.24Å; R256-L322 PolarHBondContact NE-O 3.05Å; R256-L322 PolarHBondContact NH2-O 2.63Å; R256-L322 WeakPolarHBondContact O-CG 3.37Å; R256-L322 PolarHBondContact O-N 2.82Å; R256-T325 WeakPolarHBondContact CD-OG1 3.36Å
257F95Very high89.5Confident12 Ų1219 Ų195%0.05310%0.097CC..EExtended strand (participates in β ladder)trans-107.4127.8-167.7-64.4-68.9000111.8V247 L249 T255 L319 I320 L321 A455 F458 T460V247-F257 HydrophobicContact CG2-CB 3.75Å; V247-F257 PolarHBondContact N-O 2.83Å; V247-F257 VanDerWaalsContact N-O 3.15Å; L249-F257 HydrophobicContact CB-CD2 3.99Å; L249-F257 HydrophobicContact CB-CE2 4.18Å; L249-F257 HydrophobicContact CD1-CB 4.14Å; L249-F257 HydrophobicContact CD1-CD1 3.91Å; L249-F257 HydrophobicContact CD1-CD2 3.75Å; L249-F257 HydrophobicContact CD1-CE1 4.23Å; L249-F257 HydrophobicContact CD1-CE2 4.07Å; L249-F257 HydrophobicContact CD1-CG 3.65Å; L249-F257 HydrophobicContact CD1-CZ 4.3Å; L249-F257 HydrophobicContact CG-CB 4.3Å; L249-F257 HydrophobicContact CG-CD2 3.89Å; L249-F257 HydrophobicContact CG-CE2 4.44Å; L249-F257 HydrophobicContact CG-CG 4.09Å; T255-F257 PolarHBondContact OG1-N 2.76Å; F257-L319 HydrophobicContact CB-CD1 4.21Å; F257-L319 HydrophobicContact CD1-CD1 4.05Å; F257-L319 HydrophobicContact CD1-CD2 4.38Å; F257-L319 HydrophobicContact CD1-CG 4.31Å; F257-I320 WeakPolarHBondContact CA-O 3.42Å; F257-L321 HydrophobicContact CD1-CD1 4.22Å; F257-L321 HydrophobicContact CE1-CD1 3.73Å; F257-L321 HydrophobicContact CZ-CD1 4.13Å; F257-A455 HydrophobicContact CE1-CB 4.32Å; F257-A455 HydrophobicContact CZ-CB 4.34Å; F257-F458 AromaticContact CE1-CD2 3.96Å; F257-F458 HydrophobicContact CE1-CD2 3.96Å; F257-F458 HydrophobicContact CE1-CE2 4.47Å; F257-T460 HydrophobicContact CZ-CG2 4.5Å
258V97.7Very high88.4Confident0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-121.8130171.2175.20000108.7V228 S245 L246 I320 L322V228-V258 HydrophobicContact CB-CG1 4.22Å; V228-V258 HydrophobicContact CG1-CG1 4.16Å; V228-V258 HydrophobicContact CG1-CG2 4.4Å; V228-V258 HydrophobicContact CG2-CG1 4.01Å; V228-V258 HydrophobicContact CG2-CG2 4.08Å; S245-V258 WeakPolarHBondContact O-CA 3.47Å; L246-V258 HydrophobicContact CD2-CG2 4.09Å; V258-I320 HydrophobicContact CB-CB 4.12Å; V258-I320 HydrophobicContact CB-CG2 4.39Å; V258-I320 PolarHBondContact N-O 2.85Å; V258-I320 PolarHBondContact O-N 3.08Å; V258-L322 HydrophobicContact CG2-CD1 3.9Å; V258-L322 HydrophobicContact CG2-CD2 4.13Å; V258-L322 HydrophobicContact CG2-CG 4.09Å
259L97.6Very high87.8Confident0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-93.2140.2166-76.1179.2000110.1G244 S245 V247 I317 L319 L337 L422 I425 I451G244-L259 CarbonylContact C-O 3.52Å; G244-L259 WeakPolarHBondContact CA-O 3.49Å; S245-L259 PolarHBondContact N-O 2.72Å; S245-L259 PolarHBondContact O-N 2.86Å; V247-L259 HydrophobicContact CG1-CB 4.33Å; V247-L259 HydrophobicContact CG1-CD1 3.83Å; V247-L259 HydrophobicContact CG1-CG 4.04Å; V247-L259 HydrophobicContact CG2-CD1 4.42Å; V247-L259 HydrophobicContact CG2-CG 4.04Å; L259-I317 HydrophobicContact CD2-CD1 4.33Å; L259-I317 HydrophobicContact CD2-CG1 4.44Å; L259-L319 HydrophobicContact CD2-CB 4.19Å; L259-L319 HydrophobicContact CD2-CD1 3.69Å; L259-L319 HydrophobicContact CG-CD1 4.28Å; L259-L337 HydrophobicContact CD1-CD2 3.76Å; L259-L422 HydrophobicContact CB-CD2 4.44Å; L259-L422 HydrophobicContact CD1-CD2 3.99Å; L259-I425 HydrophobicContact CB-CD1 4.24Å; L259-I451 HydrophobicContact CD1-CD1 3.76Å; L259-I451 HydrophobicContact CD2-CD1 4.09Å; L259-I451 HydrophobicContact CD2-CG1 4.21Å
260T97.5Very high87.2Confident0 Ų036.7 Ų36.70%018%0.178CC..EExtended strand (participates in β ladder)trans-156.2-174.9177.2-172.60000109.7L230 G243 I317 A318 I320 G409L230-T260 HydrophobicContact CD1-CG2 3.76Å; L230-T260 WeakPolarHBondContact CD1-OG1 3.35Å; G243-T260 PolarHBondContact O-OG1 3.32Å; T260-I317 CarbonylContact O-C 3.48Å; T260-I317 WeakPolarHBondContact O-CA 3.45Å; T260-A318 HydrophobicContact CG2-CB 4.09Å; T260-A318 PolarHBondContact N-O 3.37Å; T260-A318 PolarHBondContact O-N 2.86Å; T260-I320 HydrophobicContact CG2-CD1 3.65Å; T260-I320 HydrophobicContact CG2-CG1 4.24Å; T260-G409 WeakPolarHBondContact OG1-CA 3.13Å
261A95.2Very high87.2Confident0 Ų042.9 Ų42.90%021%0.205CC..  trans-79.8147.7174.100000111.3H263 C264 D316 I425A261-H263 VanDerWaalsContact C-N 3.3Å; A261-H263 PolarHBondContact O-N 2.82Å; A261-C264 WeakPolarHBondContact O-CB 3.43Å; A261-C264 PolarHBondContact O-N 2.6Å; A261-D316 WeakPolarHBondContact CB-OD1 3.47Å; A261-I425 HydrophobicContact CB-CG2 4.13Å
262A93.4Very high87.6Confident0 Ų044.2 Ų44.20%020%0.204CC..G310 helixtrans-66-32.5176.500000112.6C264 V265 H305 Y308 D316A262-C264 PolarHBondContact O-N 2.87Å; A262-V265 WeakPolarHBondContact O-CG2 3.1Å; A262-V265 PolarHBondContact O-N 3.02Å; A262-H305 HydrophobicContact CB-CB 3.99Å; A262-Y308 HydrophobicContact CB-CD1 4.29Å; A262-Y308 HydrophobicContact CB-CD2 3.93Å; A262-Y308 HydrophobicContact CB-CG 3.69Å; A262-D316 WeakPolarHBondContact CA-OD1 3.19Å; A262-D316 WeakPolarHBondContact CB-OD1 3.35Å; A262-D316 PolarHBondContact N-OD1 3.34Å
263H91.5Very high88Confident34 Ų3447.1 Ų47.116%0.15721%0.211CC..G310 helixtrans-67.1-24.5177.676.6-101.7000112.7A261 V265 R266 Y308 D316 S408 S427A261-H263 VanDerWaalsContact C-N 3.3Å; A261-H263 PolarHBondContact O-N 2.82Å; H263-V265 VanDerWaalsContact C-N 3.3Å; H263-V265 PolarHBondContact O-N 3.17Å; H263-R266 PolarHBondContact O-N 2.91Å; H263-Y308 HydrophobicContact CB-CE1 4.12Å; H263-D316 IonicContact CE1-OD2 3.56Å; H263-D316 IonicContact CG-OD1 3.65Å; H263-D316 IonicContact CG-OD2 2.57Å; H263-D316 PolarHBondContact N-OD1 3.49Å; H263-D316 IonicContact ND1-OD1 2.86Å; H263-D316 PolarHBondContact ND1-OD1 3.1Å; H263-D316 IonicContact ND1-OD2 3.15Å; H263-D316 PolarHBondContact ND1-OD2 3.06Å; H263-S408 PolarHBondContact CE1-OG 2.8Å; H263-S408 WeakPolarHBondContact NE2-CB 3.42Å; H263-S408 PolarHBondContact NE2-OG 3.07Å; H263-S427 PolarHBondContact CE1-O 2.9Å
264C93Very high88.4Confident4 Ų447 Ų473%0.02721%0.21CC..G310 helixtrans-66.9-29.6177.3-69.70000113.3C242 A261 A262 R266 S408C242-C264 HydrophobicContact CB-CB 3.59Å; C242-C264 WeakPolarHBondContact CB-SG 3.3Å; C242-C264 WeakPolarHBondContact SG-CB 3.25Å; C242-C264 CovalentContact SG-SG 2.04Å; C242-C264 PolarHBondContact SG-SG 2.9Å; A261-C264 WeakPolarHBondContact O-CB 3.43Å; A261-C264 PolarHBondContact O-N 2.6Å; A262-C264 PolarHBondContact O-N 2.87Å; C264-R266 VanDerWaalsContact C-N 3.32Å; C264-S408 PolarHBondContact SG-O 3.37Å
265V92Very high88.6Confident0 Ų047.9 Ų47.90%022%0.216CC..G310 helixtrans-91.86.5176.6-59.90000112.9A262 H263 Y273 R274 I279 F303 A318 I320A262-V265 WeakPolarHBondContact O-CG2 3.1Å; A262-V265 PolarHBondContact O-N 3.02Å; H263-V265 VanDerWaalsContact C-N 3.3Å; H263-V265 PolarHBondContact O-N 3.17Å; V265-Y273 HydrophobicContact CG2-CD1 4.11Å; V265-Y273 HydrophobicContact CG2-CE1 4.35Å; V265-R274 PolarHBondContact O-N 3.35Å; V265-I279 HydrophobicContact CB-CD1 4.15Å; V265-I279 HydrophobicContact CG1-CD1 3.97Å; V265-F303 HydrophobicContact CB-CD1 4.46Å; V265-F303 HydrophobicContact CB-CD2 3.98Å; V265-F303 HydrophobicContact CB-CE1 4.34Å; V265-F303 HydrophobicContact CB-CE2 3.86Å; V265-F303 HydrophobicContact CB-CG 4.3Å; V265-F303 HydrophobicContact CB-CZ 4.05Å; V265-F303 HydrophobicContact CG1-CD1 4.44Å; V265-F303 HydrophobicContact CG1-CD2 4.28Å; V265-F303 HydrophobicContact CG1-CG 4.2Å; V265-F303 HydrophobicContact CG2-CD2 3.8Å; V265-F303 HydrophobicContact CG2-CE2 3.73Å; V265-F303 HydrophobicContact CG2-CZ 4.39Å; V265-A318 HydrophobicContact CG1-CB 4.39Å; V265-A318 HydrophobicContact CG2-CB 4.04Å; V265-I320 HydrophobicContact CG1-CD1 4.02Å; V265-I320 HydrophobicContact CG1-CG1 4.32Å
266R88.5Confident88.6Confident37 Ų3749.1 Ų49.114%0.1422%0.224CC..BIsolated β-bridgetrans-103.7153177.2-151.3-179.493.4167.5-0.1111.3H263 C264 E272 Y273 R274 H310H263-R266 PolarHBondContact O-N 2.91Å; C264-R266 VanDerWaalsContact C-N 3.32Å; R266-E272 WeakPolarHBondContact CG-O 3.44Å; R266-Y273 HydrophobicContact CB-CD1 4.11Å; R266-Y273 HydrophobicContact CB-CE1 4.26Å; R266-Y273 HydrophobicContact CG-CD1 4.02Å; R266-Y273 HydrophobicContact CG-CE1 4.16Å; R266-R274 PolarHBondContact O-NE 2.95Å; R266-R274 VanDerWaalsContact O-NE 3.1Å; R266-H310 VanDerWaalsContact CZ-CD2 3.48Å; R266-H310 PolarHBondContact NH2-CD2 3.03Å; R266-H310 PolarHBondContact NH2-NE2 2.75Å
267H84.6Confident88.5Confident10 Ų1053.2 Ų53.25%0.04624%0.244CC..  trans-70.4140.6165.4-77.1-80000110.2R270 E272 R274H267-R270 HydrophobicContact CB-CB 3.71Å; H267-R270 HydrophobicContact CB-CG 4.3Å; H267-R270 WeakPolarHBondContact CB-O 3.28Å; H267-R270 PolarHBondContact CE1-NH1 3.43Å; H267-R270 VanDerWaalsContact O-O 3.06Å; H267-E272 PolarHBondContact N-O 3.4Å; H267-R274 PolarHBondContact ND1-NH1 3.14Å
268N73Confident88.4Confident113 Ų11354 Ų5460%0.60425%0.248SC*.SBendtrans-70.8-40.6175.3-71.7-21.5000111.3
269K74.7Confident88.2Confident192 Ų19254.2 Ų54.284%0.83525%0.249SC*.SBendtrans-93.6-34-175-62.6176.2-177.4167.90113.4
270R75.4Confident88Confident96 Ų9654.4 Ų54.436%0.36225%0.25SS..SBendtrans-96.2135.6-178.5-51.1-178.1-173.5129.39.5108.4D234 H267 E272D234-R270 IonicContact OD1-CZ 2.7Å; D234-R270 IonicContact OD1-NH1 3.2Å; D234-R270 PolarHBondContact OD1-NH1 2.86Å; D234-R270 IonicContact OD1-NH2 2.74Å; D234-R270 PolarHBondContact OD1-NH2 2.86Å; D234-R270 IonicContact OD2-CZ 3.45Å; D234-R270 IonicContact OD2-NH1 2.66Å; D234-R270 IonicContact OD2-NH2 3.21Å; D234-R270 PolarHBondContact OD2-NH2 3.01Å; H267-R270 HydrophobicContact CB-CB 3.71Å; H267-R270 HydrophobicContact CB-CG 4.3Å; H267-R270 WeakPolarHBondContact CB-O 3.28Å; H267-R270 PolarHBondContact CE1-NH1 3.43Å; H267-R270 VanDerWaalsContact O-O 3.06Å; R270-E272 HydrophobicContact CB-CG 3.81Å; R270-E272 WeakPolarHBondContact CD-OE1 3.39Å; R270-E272 PolarHBondContact O-N 3.48Å
271K76.6Confident87.9Confident203 Ų20354.4 Ų54.488%0.88325%0.25SS*.SBendtrans-76.539.4179.4-67.1-177.3179.8176.20112.1
272E84.5Confident87.8Confident102 Ų10254.4 Ų54.448%0.47725%0.251SS..SBendtrans-139161.6-173.773.6-168.8165.200111.4R266 H267 R270R266-E272 WeakPolarHBondContact CG-O 3.44Å; H267-E272 PolarHBondContact N-O 3.4Å; R270-E272 HydrophobicContact CB-CG 3.81Å; R270-E272 WeakPolarHBondContact CD-OE1 3.39Å; R270-E272 PolarHBondContact O-N 3.48Å
273Y86.9Confident87.8Confident78 Ų7854.5 Ų54.531%0.30625%0.251SS..BIsolated β-bridgetrans-80.8148.3176.1-68.4-77.6000111.6V265 R266 F303 H305V265-Y273 HydrophobicContact CG2-CD1 4.11Å; V265-Y273 HydrophobicContact CG2-CE1 4.35Å; R266-Y273 HydrophobicContact CB-CD1 4.11Å; R266-Y273 HydrophobicContact CB-CE1 4.26Å; R266-Y273 HydrophobicContact CG-CD1 4.02Å; R266-Y273 HydrophobicContact CG-CE1 4.16Å; Y273-F303 HydrophobicContact CD1-CE2 4.23Å; Y273-F303 HydrophobicContact CG-CE2 4.43Å; Y273-H305 AromaticContact CD1-CD2 3.9Å; Y273-H305 AromaticContact CD2-NE2 3.67Å; Y273-H305 AromaticContact CE1-CD2 3.49Å; Y273-H305 VanDerWaalsContact CE1-CD2 3.49Å; Y273-H305 WeakPolarHBondContact CE1-CD2 3.36Å; Y273-H305 AromaticContact CE1-CG 3.84Å; Y273-H305 AromaticContact CE1-NE2 3.75Å; Y273-H305 AromaticContact CE2-CD2 3.85Å; Y273-H305 AromaticContact CE2-CE1 3.5Å; Y273-H305 AromaticContact CE2-NE2 3.17Å; Y273-H305 WeakPolarHBondContact CE2-NE2 3.48Å; Y273-H305 AromaticContact CZ-CD2 3.46Å; Y273-H305 VanDerWaalsContact CZ-CD2 3.46Å; Y273-H305 AromaticContact CZ-CE1 3.35Å; Y273-H305 AromaticContact CZ-CG 3.75Å; Y273-H305 AromaticContact CZ-ND1 3.67Å; Y273-H305 AromaticContact CZ-NE2 3.21Å; Y273-H305 PolarHBondContact OH-CE1 3.41Å; Y273-H305 PolarHBondContact OH-ND1 2.89Å
274R89.6Confident87.7Confident5 Ų553.1 Ų53.12%0.01925%0.246CC..PPolyproline II helixtrans-68.8156.8177-63.2-175.6-176.3-91.4-2.8110.8Y233 D239 V265 R266 H267 I279 F303Y233-R274 PolarHBondContact O-NH1 2.94Å; D239-R274 IonicContact OD2-CZ 3.11Å; D239-R274 IonicContact OD2-NH1 2.7Å; D239-R274 PolarHBondContact OD2-NH1 3.37Å; D239-R274 IonicContact OD2-NH2 2.92Å; D239-R274 PolarHBondContact OD2-NH2 2.67Å; V265-R274 PolarHBondContact O-N 3.35Å; R266-R274 PolarHBondContact O-NE 2.95Å; R266-R274 VanDerWaalsContact O-NE 3.1Å; H267-R274 PolarHBondContact ND1-NH1 3.14Å; R274-I279 HydrophobicContact CB-CD1 4.19Å; R274-I279 HydrophobicContact CB-CG1 4.36Å; R274-F303 WeakPolarHBondContact O-CE1 3.22Å; R274-F303 VanDerWaalsContact O-CZ 3.23Å; R274-F303 WeakPolarHBondContact O-CZ 3.46Å
275S90.4Very high87.5Confident49 Ų4953.3 Ų53.334%0.34325%0.248SC..PPolyproline II helixtrans-72142167.2-169.20000109.9K277 D278S275-K277 PolarHBondContact O-N 3.03Å; S275-K277 VanDerWaalsContact O-N 3.08Å; S275-D278 WeakPolarHBondContact CB-OD2 3.5Å; S275-D278 PolarHBondContact N-OD2 3.21Å; S275-D278 WeakPolarHBondContact O-CB 3.23Å; S275-D278 PolarHBondContact O-N 3.35Å
276P90.9Very high87.1Confident34 Ų3453.6 Ų53.622%0.22125%0.249CC..G310 helixtrans-51.1-30.7172.4-32.137.8000114.7D278 I279 V300 E301 F303P276-D278 PolarHBondContact O-N 3.19Å; P276-I279 PolarHBondContact O-N 2.85Å; P276-V300 HydrophobicContact CB-CB 4.36Å; P276-V300 HydrophobicContact CB-CG1 4.06Å; P276-V300 WeakPolarHBondContact O-CB 3.41Å; P276-E301 WeakPolarHBondContact CB-O 3.49Å; P276-F303 HydrophobicContact CG-CD1 4.08Å; P276-F303 HydrophobicContact CG-CE1 3.96Å
277K90.6Very high86.8Confident149 Ų14952.5 Ų52.565%0.64825%0.246SC*.G310 helixtrans-67.6-20.9177.876.2-174.7-179.8162.60113.2S275 I279S275-K277 PolarHBondContact O-N 3.03Å; S275-K277 VanDerWaalsContact O-N 3.08Å; K277-I279 VanDerWaalsContact C-N 3.27Å
278D92.3Very high86.6Confident28 Ų2854 Ų5415%0.1525%0.252CS..G310 helixtrans-92.110.9-177.7-52.3-36.2000111.4M232 Y233 S275 P276M232-D278 CarbonylContact C-O 3.57Å; M232-D278 WeakPolarHBondContact CA-O 3.4Å; Y233-D278 PolarHBondContact N-O 3.21Å; S275-D278 WeakPolarHBondContact CB-OD2 3.5Å; S275-D278 PolarHBondContact N-OD2 3.21Å; S275-D278 WeakPolarHBondContact O-CB 3.23Å; S275-D278 PolarHBondContact O-N 3.35Å; P276-D278 PolarHBondContact O-N 3.19Å
279I93.5Very high86.5Confident4 Ų455.1 Ų55.12%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-129.8131.5-179-49.1177.2000109.5L230 H231 V265 R274 P276 K277 V300 F303L230-I279 HydrophobicContact CD2-CG2 4.33Å; H231-I279 WeakPolarHBondContact O-CA 3.36Å; V265-I279 HydrophobicContact CB-CD1 4.15Å; V265-I279 HydrophobicContact CG1-CD1 3.97Å; R274-I279 HydrophobicContact CB-CD1 4.19Å; R274-I279 HydrophobicContact CB-CG1 4.36Å; P276-I279 PolarHBondContact O-N 2.85Å; K277-I279 VanDerWaalsContact C-N 3.27Å; I279-V300 HydrophobicContact CB-CB 4.3Å; I279-V300 HydrophobicContact CB-CG2 3.84Å; I279-V300 HydrophobicContact CG2-CG2 3.73Å; I279-V300 PolarHBondContact O-N 2.86Å; I279-V300 VanDerWaalsContact O-N 3.15Å; I279-F303 HydrophobicContact CD1-CD1 4.28Å; I279-F303 HydrophobicContact CD1-CE1 4.09Å
280E93.5Very high86Confident4 Ų451.4 Ų51.42%0.01924%0.238CC..EExtended strand (participates in β ladder)trans-122.9136.3173.9173.6160.910000110.8L27 L230 H231 Y233 V282 V297L27-E280 WeakPolarHBondContact CA-OE1 3.39Å; L27-E280 WeakPolarHBondContact CB-OE2 3.3Å; L27-E280 VanDerWaalsContact CD1-OE2 3.23Å; L27-E280 WeakPolarHBondContact CD1-OE2 3.27Å; L27-E280 HydrophobicContact CD2-CB 4.27Å; L27-E280 HydrophobicContact CD2-CG 4.37Å; L27-E280 WeakPolarHBondContact CD2-OE2 3.45Å; L27-E280 WeakPolarHBondContact CG-OE2 3.4Å; L230-E280 CarbonylContact C-O 3.57Å; L230-E280 VanDerWaalsContact CA-O 3.27Å; L230-E280 WeakPolarHBondContact CA-O 3.5Å; H231-E280 HydrophobicContact CB-CB 4.48Å; H231-E280 PolarHBondContact N-O 3.01Å; H231-E280 PolarHBondContact O-N 3.1Å; Y233-E280 HydrophobicContact CE2-CB 4.19Å; E280-V282 HydrophobicContact CG-CG2 4.29Å; E280-V297 HydrophobicContact CG-CG1 3.61Å; E280-V297 WeakPolarHBondContact OE1-CG1 3.28Å; E280-V297 WeakPolarHBondContact OE2-CG1 3.02Å
281A95.9Very high85.1Confident0 Ų049.7 Ų49.70%023%0.233CC..EExtended strand (participates in β ladder)trans-101.8133.817000000110.5V228 L230 S298 L322V228-A281 HydrophobicContact CG1-CB 3.91Å; L230-A281 HydrophobicContact CD2-CB 3.79Å; A281-S298 PolarHBondContact N-O 2.98Å; A281-S298 PolarHBondContact O-N 3.37Å; A281-L322 HydrophobicContact CB-CD2 3.42Å; A281-L322 VanDerWaalsContact CB-CD2 3.42Å
282V92.9Very high84.3Confident1 Ų140.8 Ų40.81%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-118.9126.5175.7-176.90000108.1V228 R229 E280 A285 F288 R295 V296 V297V228-V282 WeakPolarHBondContact CA-O 3.39Å; R229-V282 HydrophobicContact CB-CB 4.37Å; R229-V282 PolarHBondContact N-O 2.86Å; R229-V282 PolarHBondContact O-N 3.02Å; E280-V282 HydrophobicContact CG-CG2 4.29Å; V282-A285 HydrophobicContact CG1-CB 4.2Å; V282-F288 HydrophobicContact CB-CE1 4.41Å; V282-F288 HydrophobicContact CB-CZ 4.26Å; V282-F288 HydrophobicContact CG1-CE1 3.88Å; V282-F288 HydrophobicContact CG1-CZ 3.78Å; V282-R295 VanDerWaalsContact CG1-CD 3.42Å; V282-R295 HydrophobicContact CG1-CG 3.37Å; V282-V296 WeakPolarHBondContact CA-O 3.46Å; V282-V297 HydrophobicContact CG1-CG2 4.21Å; V282-V297 HydrophobicContact CG2-CG2 4.04Å
283V94.2Very high83.1Confident2 Ų237.4 Ų37.41%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-130158.6-177-55.20000110V228 L246 A285 R295 V296 I326 I332V228-V283 HydrophobicContact CB-CG1 4.38Å; V228-V283 HydrophobicContact CG1-CG1 4.04Å; V228-V283 HydrophobicContact CG2-CG1 3.88Å; L246-V283 HydrophobicContact CD1-CB 3.93Å; L246-V283 HydrophobicContact CD1-CG1 3.83Å; L246-V283 HydrophobicContact CD1-CG2 4.46Å; L246-V283 HydrophobicContact CD2-CG1 4.27Å; L246-V283 HydrophobicContact CG-CG1 4.04Å; V283-A285 PolarHBondContact O-N 3.07Å; V283-R295 CarbonylContact O-C 3.44Å; V283-R295 VanDerWaalsContact O-CA 3.27Å; V283-R295 WeakPolarHBondContact O-CA 3.42Å; V283-V296 HydrophobicContact CG2-CB 3.74Å; V283-V296 HydrophobicContact CG2-CG1 4.49Å; V283-V296 PolarHBondContact N-O 3.04Å; V283-V296 PolarHBondContact O-N 2.81Å; V283-I326 HydrophobicContact CG2-CD1 4.38Å; V283-I326 HydrophobicContact CG2-CG2 4.03Å; V283-I332 HydrophobicContact CG2-CD1 3.9Å; V283-I332 HydrophobicContact CG2-CG1 4.38Å; V283-I332 HydrophobicContact CG2-CG2 4.3Å
284G89.3Confident82.3Confident4 Ų435.2 Ų35.24%0.04117%0.172CC..SBendtrans74.36.9-179.600000114.8H222H222-G284 PolarHBondContact CE1-O 2.86Å; H222-G284 PolarHBondContact ND1-O 3.08Å
285A88Confident81.8Confident9 Ų936.6 Ų36.67%0.07418%0.177CC..  trans-89.3148.9179.300000112.4V282 V283 F288 E292 R295 W355V282-A285 HydrophobicContact CG1-CB 4.2Å; V283-A285 PolarHBondContact O-N 3.07Å; A285-F288 HydrophobicContact CB-CE2 3.73Å; A285-F288 HydrophobicContact CB-CZ 3.72Å; A285-E292 WeakPolarHBondContact CA-OE2 3.45Å; A285-R295 HydrophobicContact CB-CB 4.49Å; A285-R295 HydrophobicContact CB-CG 3.97Å; A285-W355 HydrophobicContact CB-CZ2 4.47Å; A285-W355 WeakPolarHBondContact O-CZ2 3.23Å
286H84.2Confident81.3Confident6 Ų636.6 Ų36.63%0.02818%0.175CC..SBendtrans-119.1-51.8165.9175.366.1000110.9E218 A219 P221 E292 W355 T367 L368E218-H286 IonicContact OE1-CE1 2.85Å; E218-H286 IonicContact OE1-NE2 2.65Å; E218-H286 PolarHBondContact OE1-NE2 3.18Å; A219-H286 PolarHBondContact O-CE1 2.79Å; P221-H286 HydrophobicContact CB-CB 4.33Å; H286-E292 WeakPolarHBondContact CB-OE1 3.14Å; H286-E292 PolarHBondContact N-OE1 3.47Å; H286-E292 PolarHBondContact N-OE2 3.33Å; H286-W355 PolarHBondContact O-NE1 3.27Å; H286-T367 CarbonylContact O-C 3.5Å; H286-T367 WeakPolarHBondContact O-CA 3.47Å; H286-L368 PolarHBondContact O-N 3.32Å
287N81.6Confident81.1Confident13 Ų1335.6 Ų35.67%0.0717%0.169CC..BIsolated β-bridgetrans-120.1120.3-175-168.2-28.1000112.4Q289 F290 E292 Y366 T367N287-Q289 WeakPolarHBondContact OD1-CB 3.44Å; N287-Q289 PolarHBondContact OD1-N 2.84Å; N287-F290 HydrophobicContact CB-CD2 4.45Å; N287-F290 HydrophobicContact CB-CE1 3.98Å; N287-F290 HydrophobicContact CB-CE2 3.73Å; N287-F290 HydrophobicContact CB-CZ 3.47Å; N287-F290 VanDerWaalsContact CB-CZ 3.47Å; N287-F290 VanDerWaalsContact CG-CZ 3.43Å; N287-F290 WeakPolarHBondContact ND2-CE1 3.13Å; N287-F290 VanDerWaalsContact ND2-CZ 3.26Å; N287-F290 WeakPolarHBondContact ND2-CZ 3.17Å; N287-E292 PolarHBondContact N-OE1 2.88Å; N287-E292 PolarHBondContact N-OE2 3.42Å; N287-E292 VanDerWaalsContact N-OE2 3.16Å; N287-Y366 CarbonylContact C-O 3.58Å; N287-Y366 WeakPolarHBondContact CA-O 3.35Å; N287-T367 HydrophobicContact CB-CG2 4.01Å; N287-T367 WeakPolarHBondContact ND2-CG2 3.38Å
288F80.2Confident81Confident41 Ų4128.6 Ų28.618%0.1814%0.139CC..SBendtrans-89.2-2.4-180-79.2-92.5000114.9R229 H231 V282 A285 F290 W355 Y366R229-F288 HydrophobicContact CB-CE2 4.3Å; R229-F288 HydrophobicContact CB-CZ 3.8Å; R229-F288 HydrophobicContact CG-CZ 4.18Å; R229-F288 VanDerWaalsContact NH1-CG 3.26Å; H231-F288 AromaticContact NE2-CE1 3.75Å; V282-F288 HydrophobicContact CB-CE1 4.41Å; V282-F288 HydrophobicContact CB-CZ 4.26Å; V282-F288 HydrophobicContact CG1-CE1 3.88Å; V282-F288 HydrophobicContact CG1-CZ 3.78Å; A285-F288 HydrophobicContact CB-CE2 3.73Å; A285-F288 HydrophobicContact CB-CZ 3.72Å; F288-F290 VanDerWaalsContact C-N 3.3Å; F288-W355 AromaticContact CD2-CD1 3.82Å; F288-W355 HydrophobicContact CD2-CD2 4.25Å; F288-W355 AromaticContact CD2-CE2 3.87Å; F288-W355 HydrophobicContact CD2-CG 4.24Å; F288-W355 HydrophobicContact CD2-CZ2 4.42Å; F288-W355 AromaticContact CD2-NE1 3.57Å; F288-W355 AromaticContact CE2-CD2 3.85Å; F288-W355 HydrophobicContact CE2-CD2 3.85Å; F288-W355 AromaticContact CE2-CE2 3.47Å; F288-W355 VanDerWaalsContact CE2-CE2 3.47Å; F288-W355 HydrophobicContact CE2-CE3 4.35Å; F288-W355 HydrophobicContact CE2-CG 4.29Å; F288-W355 HydrophobicContact CE2-CH2 4.18Å; F288-W355 AromaticContact CE2-CZ2 3.68Å; F288-W355 HydrophobicContact CE2-CZ2 3.68Å; F288-W355 HydrophobicContact CE2-CZ3 4.48Å; F288-W355 AromaticContact CE2-NE1 3.69Å; F288-Y366 PolarHBondContact N-O 2.73Å
289Q71.2Confident80.7Confident138 Ų13828.2 Ų28.265%0.64514%0.141SC*.SBendtrans-72.9-26.5175.2-168.9171.92.100112.1N287 Y366N287-Q289 WeakPolarHBondContact OD1-CB 3.44Å; N287-Q289 PolarHBondContact OD1-N 2.84Å; Q289-Y366 HydrophobicContact CB-CD1 4.16Å; Q289-Y366 HydrophobicContact CB-CG 4.03Å
290F63.4Low80.6Confident114 Ų11428 Ų2850%0.514%0.14SC..SBendtrans-128.9171.6176.142.8-96.7000111.3N287 F288 E292 R295N287-F290 HydrophobicContact CB-CD2 4.45Å; N287-F290 HydrophobicContact CB-CE1 3.98Å; N287-F290 HydrophobicContact CB-CE2 3.73Å; N287-F290 HydrophobicContact CB-CZ 3.47Å; N287-F290 VanDerWaalsContact CB-CZ 3.47Å; N287-F290 VanDerWaalsContact CG-CZ 3.43Å; N287-F290 WeakPolarHBondContact ND2-CE1 3.13Å; N287-F290 VanDerWaalsContact ND2-CZ 3.26Å; N287-F290 WeakPolarHBondContact ND2-CZ 3.17Å; F288-F290 VanDerWaalsContact C-N 3.3Å; F290-E292 HydrophobicContact CD2-CG 4.02Å; F290-E292 HydrophobicContact CE2-CG 4.03Å; F290-R295 PolarHBondContact O-NH1 3.12Å
291F56.5Low80.3Confident60 Ų6031.4 Ų31.426%0.26316%0.156SC..  trans-80.3135.7173.1174.3-99.1000109.6T28 Y31 F293T28-F291 HydrophobicContact CG2-CD2 3.64Å; T28-F291 HydrophobicContact CG2-CE2 3.47Å; T28-F291 VanDerWaalsContact CG2-CE2 3.47Å; Y31-F291 HydrophobicContact CD2-CZ 4.44Å; Y31-F291 AromaticContact CE2-CE1 3.8Å; Y31-F291 HydrophobicContact CE2-CE1 3.8Å; Y31-F291 AromaticContact CE2-CE2 3.73Å; Y31-F291 HydrophobicContact CE2-CE2 3.73Å; Y31-F291 AromaticContact CE2-CZ 3.25Å; Y31-F291 HydrophobicContact CE2-CZ 3.25Å; Y31-F291 AromaticContact CZ-CE1 3.88Å; Y31-F291 AromaticContact CZ-CE2 3.75Å; Y31-F291 AromaticContact CZ-CZ 3.57Å; Y31-F291 WeakPolarHBondContact OH-CD2 3.09Å; Y31-F291 WeakPolarHBondContact OH-CE1 3.21Å; Y31-F291 WeakPolarHBondContact OH-CE2 3.35Å; Y31-F291 WeakPolarHBondContact OH-CG 3.42Å; Y31-F291 WeakPolarHBondContact OH-CZ 3.24Å; F291-F293 HydrophobicContact CD1-CD2 4.36Å; F291-F293 HydrophobicContact CD1-CE2 4.02Å; F291-F293 HydrophobicContact CD1-CZ 4.12Å; F291-F293 AromaticContact CE1-CD1 3.86Å; F291-F293 HydrophobicContact CE1-CD1 3.86Å; F291-F293 HydrophobicContact CE1-CD2 4.04Å; F291-F293 AromaticContact CE1-CE1 3.89Å; F291-F293 HydrophobicContact CE1-CE1 3.89Å; F291-F293 AromaticContact CE1-CE2 3.99Å; F291-F293 HydrophobicContact CE1-CE2 3.99Å; F291-F293 AromaticContact CE1-CG 3.93Å; F291-F293 HydrophobicContact CE1-CG 3.93Å; F291-F293 AromaticContact CE1-CZ 3.93Å; F291-F293 HydrophobicContact CE1-CZ 3.93Å
292E60.2Low80.1Confident16 Ų1636 Ų368%0.07518%0.176CC..  trans-119132.5177.1-67175.3140.500108.9A285 H286 N287 F290 D294 R295A285-E292 WeakPolarHBondContact CA-OE2 3.45Å; H286-E292 WeakPolarHBondContact CB-OE1 3.14Å; H286-E292 PolarHBondContact N-OE1 3.47Å; H286-E292 PolarHBondContact N-OE2 3.33Å; N287-E292 PolarHBondContact N-OE1 2.88Å; N287-E292 PolarHBondContact N-OE2 3.42Å; N287-E292 VanDerWaalsContact N-OE2 3.16Å; F290-E292 HydrophobicContact CD2-CG 4.02Å; F290-E292 HydrophobicContact CE2-CG 4.03Å; E292-D294 PolarHBondContact O-N 2.95Å; E292-R295 HydrophobicContact CB-CB 4.24Å; E292-R295 WeakPolarHBondContact O-CB 3.03Å; E292-R295 PolarHBondContact O-N 3.37Å; E292-R295 VanDerWaalsContact O-N 3.13Å
293F59.7Low80Confident31 Ų3137.7 Ų37.714%0.13618%0.183CC..THydrogen-bonded Turntrans-70.5-35-171.3-73.1-95000113.1V71 N72 P147 N149 F291 R295V71-F293 HydrophobicContact CG2-CE1 4.07Å; V71-F293 HydrophobicContact CG2-CZ 3.94Å; N72-F293 WeakPolarHBondContact OD1-CE2 3.2Å; N72-F293 WeakPolarHBondContact OD1-CZ 3.49Å; P147-F293 HydrophobicContact CB-CD1 4.32Å; N149-F293 WeakPolarHBondContact OD1-CD1 3.49Å; N149-F293 WeakPolarHBondContact OD1-CD2 3.18Å; N149-F293 WeakPolarHBondContact OD1-CE1 2.92Å; N149-F293 WeakPolarHBondContact OD1-CE2 3.39Å; N149-F293 WeakPolarHBondContact OD1-CZ 3.11Å; F291-F293 HydrophobicContact CD1-CD2 4.36Å; F291-F293 HydrophobicContact CD1-CE2 4.02Å; F291-F293 HydrophobicContact CD1-CZ 4.12Å; F291-F293 AromaticContact CE1-CD1 3.86Å; F291-F293 HydrophobicContact CE1-CD1 3.86Å; F291-F293 HydrophobicContact CE1-CD2 4.04Å; F291-F293 AromaticContact CE1-CE1 3.89Å; F291-F293 HydrophobicContact CE1-CE1 3.89Å; F291-F293 AromaticContact CE1-CE2 3.99Å; F291-F293 HydrophobicContact CE1-CE2 3.99Å; F291-F293 AromaticContact CE1-CG 3.93Å; F291-F293 HydrophobicContact CE1-CG 3.93Å; F291-F293 AromaticContact CE1-CZ 3.93Å; F291-F293 HydrophobicContact CE1-CZ 3.93Å; F293-R295 PolarHBondContact O-N 2.88Å
294D70.5Confident79.7Confident32 Ų3238.8 Ų38.817%0.17119%0.19CC..THydrogen-bonded Turntrans-66.2-13.9173.7-68.8-69.2000113.4S146 E292 V296 T331 I332S146-D294 WeakPolarHBondContact CB-OD1 3.1Å; S146-D294 PolarHBondContact OG-OD1 3.01Å; E292-D294 PolarHBondContact O-N 2.95Å; D294-V296 PolarHBondContact O-N 2.04Å; D294-T331 HydrophobicContact CB-CG2 4.06Å; D294-T331 WeakPolarHBondContact CB-OG1 3.42Å; D294-T331 PolarHBondContact OD1-OG1 3.06Å; D294-T331 VanDerWaalsContact OD1-OG1 3.06Å; D294-I332 WeakPolarHBondContact O-CD1 3.4Å
295R79.3Confident79.4Confident33 Ų3341.2 Ų41.213%0.12520%0.2CC..  trans-72.6115.4-177.3-171.8169.685-1584.6111T28 V282 V283 A285 F290 E292 F293 V297T28-R295 PolarHBondContact OG1-NE 3.38Å; T28-R295 PolarHBondContact OG1-NH2 2.88Å; V282-R295 VanDerWaalsContact CG1-CD 3.42Å; V282-R295 HydrophobicContact CG1-CG 3.37Å; V283-R295 CarbonylContact O-C 3.44Å; V283-R295 VanDerWaalsContact O-CA 3.27Å; V283-R295 WeakPolarHBondContact O-CA 3.42Å; A285-R295 HydrophobicContact CB-CB 4.49Å; A285-R295 HydrophobicContact CB-CG 3.97Å; F290-R295 PolarHBondContact O-NH1 3.12Å; E292-R295 HydrophobicContact CB-CB 4.24Å; E292-R295 WeakPolarHBondContact O-CB 3.03Å; E292-R295 PolarHBondContact O-N 3.37Å; E292-R295 VanDerWaalsContact O-N 3.13Å; F293-R295 PolarHBondContact O-N 2.88Å; R295-V297 HydrophobicContact CG-CG2 4.36Å
296V80.4Confident78.4Confident49 Ų4941 Ų4130%0.29720%0.199SC..EExtended strand (participates in β ladder)trans-102.9136.4172.4-178.30000110V282 V283 D294 I326 I332V282-V296 WeakPolarHBondContact CA-O 3.46Å; V283-V296 HydrophobicContact CG2-CB 3.74Å; V283-V296 HydrophobicContact CG2-CG1 4.49Å; V283-V296 PolarHBondContact N-O 3.04Å; V283-V296 PolarHBondContact O-N 2.81Å; D294-V296 PolarHBondContact O-N 2.04Å; V296-I326 HydrophobicContact CB-CD1 4.49Å; V296-I326 HydrophobicContact CG1-CD1 3.65Å; V296-I332 HydrophobicContact CB-CD1 4.24Å; V296-I332 HydrophobicContact CG2-CD1 3.73Å
297V85Confident77.8Confident14 Ų1449.1 Ų49.19%0.08524%0.237CC..EExtended strand (participates in β ladder)trans-118.3130.3-179.1176.90000110.7L27 T28 E280 V282 R295 R324L27-V297 HydrophobicContact CB-CG1 4.34Å; T28-V297 HydrophobicContact CG2-CG2 4.38Å; T28-V297 WeakPolarHBondContact OG1-CG2 3.38Å; E280-V297 HydrophobicContact CG-CG1 3.61Å; E280-V297 WeakPolarHBondContact OE1-CG1 3.28Å; E280-V297 WeakPolarHBondContact OE2-CG1 3.02Å; V282-V297 HydrophobicContact CG1-CG2 4.21Å; V282-V297 HydrophobicContact CG2-CG2 4.04Å; R295-V297 HydrophobicContact CG-CG2 4.36Å; V297-R324 WeakPolarHBondContact O-CD 3.37Å; V297-R324 PolarHBondContact O-NH1 2.92Å
298S88.4Confident77.4Confident2 Ų249.5 Ų49.51%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-143.9122.4-175.5-168.30000111.3A281 R324A281-S298 PolarHBondContact N-O 2.98Å; A281-S298 PolarHBondContact O-N 3.37Å; S298-R324 VanDerWaalsContact OG-CB 3.31Å; S298-R324 WeakPolarHBondContact OG-CB 3.38Å; S298-R324 PolarHBondContact OG-N 3.05Å; S298-R324 VanDerWaalsContact OG-N 3.08Å
299G87.8Confident76.9Confident20 Ų2049.5 Ų49.521%0.20624%0.242CC..EExtended strand (participates in β ladder)trans-65.7159.616900000111.9R323G299-R323 WeakPolarHBondContact O-CB 3.43Å; G299-R323 WeakPolarHBondContact O-CG 3.18Å; G299-R323 PolarHBondContact O-N 3.11Å
300V90Very high76.6Confident0 Ų047 Ų470%023%0.231CC..EExtended strand (participates in β ladder)trans-83.5134.6176.3178.10000110.8P276 I279 K302 F303 I320 R323P276-V300 HydrophobicContact CB-CB 4.36Å; P276-V300 HydrophobicContact CB-CG1 4.06Å; P276-V300 WeakPolarHBondContact O-CB 3.41Å; I279-V300 HydrophobicContact CB-CB 4.3Å; I279-V300 HydrophobicContact CB-CG2 3.84Å; I279-V300 HydrophobicContact CG2-CG2 3.73Å; I279-V300 PolarHBondContact O-N 2.86Å; I279-V300 VanDerWaalsContact O-N 3.15Å; V300-K302 WeakPolarHBondContact CG1-O 3.36Å; V300-F303 HydrophobicContact CG1-CD1 4.3Å; V300-I320 HydrophobicContact CB-CG2 4.27Å; V300-I320 HydrophobicContact CG1-CG2 3.75Å; V300-I320 HydrophobicContact CG2-CG2 3.58Å; V300-R323 PolarHBondContact O-NE 3.22Å
301E88.3Confident76.6Confident74 Ų7451.4 Ų51.435%0.34625%0.249SC..EExtended strand (participates in β ladder)trans-84.9-55.5172.3-166.7-169129.400109.6R256 P276 L321 R323R256-E301 IonicContact CZ-OE2 3.77Å; R256-E301 IonicContact NH2-OE2 2.91Å; R256-E301 PolarHBondContact NH2-OE2 3.45Å; P276-E301 WeakPolarHBondContact CB-O 3.49Å; E301-L321 HydrophobicContact CB-CD2 4.27Å; E301-L321 PolarHBondContact N-O 2.98Å; E301-R323 HydrophobicContact CB-CG 3.79Å; E301-R323 HydrophobicContact CG-CG 4.41Å
302K90.3Very high77.2Confident98 Ų9850 Ų5043%0.42625%0.247SC..EExtended strand (participates in β ladder)trans-147.3158.6-178.5-63.3178.9-174.1167.50109V300 L321 F458V300-K302 WeakPolarHBondContact CG1-O 3.36Å; K302-L321 PolarHBondContact N-O 3.41Å; K302-L321 PolarHBondContact O-N 3.33Å; K302-F458 HydrophobicContact CB-CD1 3.95Å; K302-F458 HydrophobicContact CB-CE1 3.69Å; K302-F458 HydrophobicContact CD-CD1 4.18Å
303F92Very high77.7Confident36 Ų3652.1 Ų52.116%0.15826%0.256CS..EExtended strand (participates in β ladder)trans-141.6160.9165.863.1-98.9000109.6V265 Y273 R274 P276 I279 V300 L319 I320V265-F303 HydrophobicContact CB-CD1 4.46Å; V265-F303 HydrophobicContact CB-CD2 3.98Å; V265-F303 HydrophobicContact CB-CE1 4.34Å; V265-F303 HydrophobicContact CB-CE2 3.86Å; V265-F303 HydrophobicContact CB-CG 4.3Å; V265-F303 HydrophobicContact CB-CZ 4.05Å; V265-F303 HydrophobicContact CG1-CD1 4.44Å; V265-F303 HydrophobicContact CG1-CD2 4.28Å; V265-F303 HydrophobicContact CG1-CG 4.2Å; V265-F303 HydrophobicContact CG2-CD2 3.8Å; V265-F303 HydrophobicContact CG2-CE2 3.73Å; V265-F303 HydrophobicContact CG2-CZ 4.39Å; Y273-F303 HydrophobicContact CD1-CE2 4.23Å; Y273-F303 HydrophobicContact CG-CE2 4.43Å; R274-F303 WeakPolarHBondContact O-CE1 3.22Å; R274-F303 VanDerWaalsContact O-CZ 3.23Å; R274-F303 WeakPolarHBondContact O-CZ 3.46Å; P276-F303 HydrophobicContact CG-CD1 4.08Å; P276-F303 HydrophobicContact CG-CE1 3.96Å; I279-F303 HydrophobicContact CD1-CD1 4.28Å; I279-F303 HydrophobicContact CD1-CE1 4.09Å; V300-F303 HydrophobicContact CG1-CD1 4.3Å; F303-L319 CarbonylContact C-O 3.55Å; F303-L319 VanDerWaalsContact CA-O 3.29Å; F303-L319 WeakPolarHBondContact CA-O 3.26Å; F303-I320 HydrophobicContact CB-CG1 3.88Å
304T88.2Confident78.5Confident24 Ų2454.3 Ų54.315%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-135.9153.2171.1-178.20000108.4A318 L319 W450 Q454 F458T304-A318 CarbonylContact O-C 3.58Å; T304-A318 VanDerWaalsContact O-CA 3.23Å; T304-A318 WeakPolarHBondContact O-CA 3.4Å; T304-A318 WeakPolarHBondContact O-CB 3.3Å; T304-L319 HydrophobicContact CG2-CB 4.03Å; T304-L319 PolarHBondContact N-O 3.25Å; T304-L319 PolarHBondContact O-N 3.32Å; T304-W450 HydrophobicContact CG2-CH2 4.29Å; T304-W450 HydrophobicContact CG2-CZ2 4.11Å; T304-Q454 HydrophobicContact CG2-CB 3.65Å; T304-Q454 HydrophobicContact CG2-CG 3.79Å; T304-Q454 PolarHBondContact OG1-OE1 3.29Å; T304-F458 HydrophobicContact CG2-CE1 4.44Å; T304-F458 HydrophobicContact CG2-CE2 4.07Å; T304-F458 HydrophobicContact CG2-CZ 3.57Å
305H82.6Confident79Confident56 Ų5654 Ų5426%0.25926%0.261SS..EExtended strand (participates in β ladder)trans-131.1158.7-175.755.974.3000110.4A262 Y273 I317 A318A262-H305 HydrophobicContact CB-CB 3.99Å; Y273-H305 AromaticContact CD1-CD2 3.9Å; Y273-H305 AromaticContact CD2-NE2 3.67Å; Y273-H305 AromaticContact CE1-CD2 3.49Å; Y273-H305 VanDerWaalsContact CE1-CD2 3.49Å; Y273-H305 WeakPolarHBondContact CE1-CD2 3.36Å; Y273-H305 AromaticContact CE1-CG 3.84Å; Y273-H305 AromaticContact CE1-NE2 3.75Å; Y273-H305 AromaticContact CE2-CD2 3.85Å; Y273-H305 AromaticContact CE2-CE1 3.5Å; Y273-H305 AromaticContact CE2-NE2 3.17Å; Y273-H305 WeakPolarHBondContact CE2-NE2 3.48Å; Y273-H305 AromaticContact CZ-CD2 3.46Å; Y273-H305 VanDerWaalsContact CZ-CD2 3.46Å; Y273-H305 AromaticContact CZ-CE1 3.35Å; Y273-H305 AromaticContact CZ-CG 3.75Å; Y273-H305 AromaticContact CZ-ND1 3.67Å; Y273-H305 AromaticContact CZ-NE2 3.21Å; Y273-H305 PolarHBondContact OH-CE1 3.41Å; Y273-H305 PolarHBondContact OH-ND1 2.89Å; H305-I317 CarbonylContact C-O 3.06Å; H305-I317 WeakPolarHBondContact CA-O 3.39Å; H305-A318 HydrophobicContact CB-CB 4.23Å
306G67.1Low79.6Confident4 Ų452.4 Ų52.44%0.04126%0.256CS..  trans-57.9169.1165.200000110.4Y308 I317G306-Y308 PolarHBondContact O-N 3.46Å; G306-I317 PolarHBondContact N-O 3.33Å
307Q71.7Confident80.2Confident177 Ų17750 Ų5083%0.82724%0.241SC*.SBendtrans-68.664.2170.6-69.5177.8-19.900110.5S309 L315Q307-S309 PolarHBondContact O-N 2.74Å; Q307-L315 HydrophobicContact CB-CD1 3.73Å; Q307-L315 WeakPolarHBondContact O-CD1 3.15Å
308Y73.5Confident80.7Confident20 Ų2049.4 Ų49.48%0.07824%0.237CC..  trans-64.4125.5-167.2174-111.2000110.6A262 H263 G306 H310 K313 R314 D316A262-Y308 HydrophobicContact CB-CD1 4.29Å; A262-Y308 HydrophobicContact CB-CD2 3.93Å; A262-Y308 HydrophobicContact CB-CG 3.69Å; H263-Y308 HydrophobicContact CB-CE1 4.12Å; G306-Y308 PolarHBondContact O-N 3.46Å; Y308-H310 HydrophobicContact CE1-CB 3.82Å; Y308-K313 WeakPolarHBondContact OH-CD 3.23Å; Y308-R314 WeakPolarHBondContact CA-O 3.49Å; Y308-R314 WeakPolarHBondContact CD2-O 2.99Å; Y308-D316 HydrophobicContact CD2-CB 3.86Å; Y308-D316 HydrophobicContact CE2-CB 3.66Å; Y308-D316 WeakPolarHBondContact CE2-OD2 3.38Å
309S68.9Low81.1Confident41 Ų4149.3 Ų49.329%0.28724%0.237SC..BIsolated β-bridgetrans-102.9111.6172.61700000108.7Q307 K311 S312 K313 R314Q307-S309 PolarHBondContact O-N 2.74Å; S309-K311 PolarHBondContact O-N 2.81Å; S309-S312 WeakPolarHBondContact CB-OG 2.94Å; S309-S312 PolarHBondContact O-N 3.01Å; S309-S312 PolarHBondContact OG-N 3.47Å; S309-S312 PolarHBondContact OG-OG 2.81Å; S309-K313 CarbonylContact O-C 3.52Å; S309-K313 WeakPolarHBondContact O-CA 3.17Å; S309-K313 PolarHBondContact O-N 3.38Å; S309-R314 PolarHBondContact N-O 3.42Å; S309-R314 VanDerWaalsContact N-O 3.07Å; S309-R314 PolarHBondContact O-N 2.93Å
310H64.1Low81.4Confident87 Ų8748.3 Ų48.340%0.40323%0.227SC..THydrogen-bonded Turntrans-67.1-25.2175.9178.7-86.1000113.6R266 Y308 K313R266-H310 VanDerWaalsContact CZ-CD2 3.48Å; R266-H310 PolarHBondContact NH2-CD2 3.03Å; R266-H310 PolarHBondContact NH2-NE2 2.75Å; Y308-H310 HydrophobicContact CE1-CB 3.82Å; H310-K313 PolarHBondContact NE2-NZ 3.19Å; H310-K313 WeakPolarHBondContact O-CE 3.35Å
311K63.8Low81.6Confident205 Ų20548.5 Ų48.589%0.89123%0.228SC*.THydrogen-bonded Turntrans-71-42.9179.3-171.7-178.8177.6-173.40111.1S309S309-K311 PolarHBondContact O-N 2.81Å
312S68.8Low81.8Confident31 Ų3145 Ų4522%0.21721%0.211CC..THydrogen-bonded Turntrans-103.91.5-178.552.10000113.8S309 R314 T387S309-S312 WeakPolarHBondContact CB-OG 2.94Å; S309-S312 PolarHBondContact O-N 3.01Å; S309-S312 PolarHBondContact OG-N 3.47Å; S309-S312 PolarHBondContact OG-OG 2.81Å; S312-R314 PolarHBondContact O-N 2.04Å; S312-R314 WeakPolarHBondContact OG-CD 3.5Å; S312-R314 VanDerWaalsContact OG-CG 3.3Å; S312-R314 WeakPolarHBondContact OG-CG 3.4Å; S312-T387 PolarHBondContact O-OG1 3.39Å
313K71.1Confident81.6Confident61 Ų6147.1 Ų47.127%0.26522%0.217SC..THydrogen-bonded Turntrans53.316.8-173.1-53-60.5-177.5176.80114.3Y308 S309 H310 Y428Y308-K313 WeakPolarHBondContact OH-CD 3.23Å; S309-K313 CarbonylContact O-C 3.52Å; S309-K313 WeakPolarHBondContact O-CA 3.17Å; S309-K313 PolarHBondContact O-N 3.38Å; H310-K313 PolarHBondContact NE2-NZ 3.19Å; H310-K313 WeakPolarHBondContact O-CE 3.35Å; K313-Y428 HydrophobicContact CB-CD1 3.64Å; K313-Y428 HydrophobicContact CB-CE1 3.66Å; K313-Y428 HydrophobicContact CG-CD1 3.93Å; K313-Y428 HydrophobicContact CG-CE1 4.19Å; K313-Y428 HydrophobicContact CG-CG 4.32Å
314R75.9Confident81.1Confident76 Ų7649.3 Ų49.329%0.28722%0.224SC..BIsolated β-bridgetrans-70.6148.9-178.6-69.9-177.675.9-1607.2111.8Y308 S309 S312 D316 E386Y308-R314 WeakPolarHBondContact CA-O 3.49Å; Y308-R314 WeakPolarHBondContact CD2-O 2.99Å; S309-R314 PolarHBondContact N-O 3.42Å; S309-R314 VanDerWaalsContact N-O 3.07Å; S309-R314 PolarHBondContact O-N 2.93Å; S312-R314 PolarHBondContact O-N 2.04Å; S312-R314 WeakPolarHBondContact OG-CD 3.5Å; S312-R314 VanDerWaalsContact OG-CG 3.3Å; S312-R314 WeakPolarHBondContact OG-CG 3.4Å; R314-D316 VanDerWaalsContact C-N 3.26Å; R314-D316 PolarHBondContact O-N 3.33Å; R314-E386 WeakPolarHBondContact CD-OE1 3.34Å; R314-E386 VanDerWaalsContact CZ-CG 3.46Å; R314-E386 IonicContact CZ-OE1 2.71Å; R314-E386 PolarHBondContact NE-O 2.05Å; R314-E386 IonicContact NE-OE1 3.51Å; R314-E386 PolarHBondContact NE-OE1 3.31Å; R314-E386 IonicContact NH1-OE1 2.77Å; R314-E386 PolarHBondContact NH1-OE1 3.22Å
315L82.2Confident80.9Confident25 Ų2550.9 Ų50.913%0.13123%0.233CC..THydrogen-bonded Turntrans58.538.8174.6-53175.6000112.3Q307 I317 K390 Y447Q307-L315 HydrophobicContact CB-CD1 3.73Å; Q307-L315 WeakPolarHBondContact O-CD1 3.15Å; L315-I317 PolarHBondContact O-N 2.98Å; L315-K390 HydrophobicContact CD2-CD 3.5Å; L315-Y447 WeakPolarHBondContact CA-OH 3.24Å; L315-Y447 HydrophobicContact CB-CE1 4.47Å; L315-Y447 HydrophobicContact CD2-CE1 3.66Å
316D91.2Very high81Confident0 Ų048.3 Ų48.30%022%0.222CC..  trans-78.469.5-177.7-153-8.8000111.5A261 A262 H263 Y308 R314 S427 S442A261-D316 WeakPolarHBondContact CB-OD1 3.47Å; A262-D316 WeakPolarHBondContact CA-OD1 3.19Å; A262-D316 WeakPolarHBondContact CB-OD1 3.35Å; A262-D316 PolarHBondContact N-OD1 3.34Å; H263-D316 IonicContact CE1-OD2 3.56Å; H263-D316 IonicContact CG-OD1 3.65Å; H263-D316 IonicContact CG-OD2 2.57Å; H263-D316 PolarHBondContact N-OD1 3.49Å; H263-D316 IonicContact ND1-OD1 2.86Å; H263-D316 PolarHBondContact ND1-OD1 3.1Å; H263-D316 IonicContact ND1-OD2 3.15Å; H263-D316 PolarHBondContact ND1-OD2 3.06Å; Y308-D316 HydrophobicContact CD2-CB 3.86Å; Y308-D316 HydrophobicContact CE2-CB 3.66Å; Y308-D316 WeakPolarHBondContact CE2-OD2 3.38Å; R314-D316 VanDerWaalsContact C-N 3.26Å; R314-D316 PolarHBondContact O-N 3.33Å; D316-S427 WeakPolarHBondContact CB-OG 3.47Å; D316-S427 PolarHBondContact OD2-OG 2.02Å; D316-S442 PolarHBondContact O-OG 3.33Å
317I94.4Very high81.7Confident0 Ų049.2 Ų49.20%023%0.226CC..  trans-142.4139.1177.4-169.9167.8000110.3L259 T260 H305 G306 L315 I425 Y447 W450 I451L259-I317 HydrophobicContact CD2-CD1 4.33Å; L259-I317 HydrophobicContact CD2-CG1 4.44Å; T260-I317 CarbonylContact O-C 3.48Å; T260-I317 WeakPolarHBondContact O-CA 3.45Å; H305-I317 CarbonylContact C-O 3.06Å; H305-I317 WeakPolarHBondContact CA-O 3.39Å; G306-I317 PolarHBondContact N-O 3.33Å; L315-I317 PolarHBondContact O-N 2.98Å; I317-I425 HydrophobicContact CD1-CD1 3.65Å; I317-I425 HydrophobicContact CG1-CD1 3.64Å; I317-Y447 HydrophobicContact CB-CD1 4.46Å; I317-Y447 HydrophobicContact CD1-CD1 4.37Å; I317-Y447 HydrophobicContact CD1-CD2 4.1Å; I317-Y447 HydrophobicContact CD1-CG 3.8Å; I317-Y447 HydrophobicContact CG2-CD1 3.48Å; I317-Y447 VanDerWaalsContact CG2-CD1 3.48Å; I317-Y447 HydrophobicContact CG2-CE1 3.6Å; I317-Y447 HydrophobicContact CG2-CG 4Å; I317-W450 HydrophobicContact CD1-CE3 4.37Å; I317-W450 HydrophobicContact CD1-CZ3 4.12Å; I317-W450 HydrophobicContact CG1-CZ3 3.97Å; I317-W450 HydrophobicContact CG2-CE3 4.11Å; I317-W450 HydrophobicContact CG2-CH2 4.3Å; I317-W450 HydrophobicContact CG2-CZ3 3.97Å; I317-I451 HydrophobicContact CD1-CD1 4.42Å
318A94.8Very high82.3Confident0 Ų041.5 Ų41.50%019%0.19CC..EExtended strand (participates in β ladder)trans-134.3147.3171.100000111.2T260 V265 T304 H305T260-A318 HydrophobicContact CG2-CB 4.09Å; T260-A318 PolarHBondContact N-O 3.37Å; T260-A318 PolarHBondContact O-N 2.86Å; V265-A318 HydrophobicContact CG1-CB 4.39Å; V265-A318 HydrophobicContact CG2-CB 4.04Å; T304-A318 CarbonylContact O-C 3.58Å; T304-A318 VanDerWaalsContact O-CA 3.23Å; T304-A318 WeakPolarHBondContact O-CA 3.4Å; T304-A318 WeakPolarHBondContact O-CB 3.3Å; H305-A318 HydrophobicContact CB-CB 4.23Å
319L95.7Very high82.7Confident0 Ų041.6 Ų41.60%019%0.193CC..EExtended strand (participates in β ladder)trans-113.5119.4172.5-18067.7000107.6L249 F257 L259 F303 T304 W450 I451 Q454 A455 F458L249-L319 HydrophobicContact CD1-CD1 4.4Å; L249-L319 HydrophobicContact CD1-CD2 4.41Å; F257-L319 HydrophobicContact CB-CD1 4.21Å; F257-L319 HydrophobicContact CD1-CD1 4.05Å; F257-L319 HydrophobicContact CD1-CD2 4.38Å; F257-L319 HydrophobicContact CD1-CG 4.31Å; L259-L319 HydrophobicContact CD2-CB 4.19Å; L259-L319 HydrophobicContact CD2-CD1 3.69Å; L259-L319 HydrophobicContact CG-CD1 4.28Å; F303-L319 CarbonylContact C-O 3.55Å; F303-L319 VanDerWaalsContact CA-O 3.29Å; F303-L319 WeakPolarHBondContact CA-O 3.26Å; T304-L319 HydrophobicContact CG2-CB 4.03Å; T304-L319 PolarHBondContact N-O 3.25Å; T304-L319 PolarHBondContact O-N 3.32Å; L319-W450 HydrophobicContact CB-CH2 3.88Å; L319-W450 HydrophobicContact CB-CZ3 4.14Å; L319-I451 HydrophobicContact CD2-CG2 4.49Å; L319-Q454 HydrophobicContact CD2-CB 4.19Å; L319-A455 HydrophobicContact CD2-CB 4.2Å; L319-F458 HydrophobicContact CD2-CE2 3.92Å; L319-F458 HydrophobicContact CG-CE2 4.09Å
320I95.8Very high83.2Confident0 Ų043 Ų430%020%0.197CC..EExtended strand (participates in β ladder)trans-101.9135.4-179.3-71.2176.1000108.8L230 F257 V258 T260 V265 V300 F303 L322L230-I320 HydrophobicContact CD1-CD1 3.8Å; L230-I320 HydrophobicContact CD2-CD1 3.99Å; F257-I320 WeakPolarHBondContact CA-O 3.42Å; V258-I320 HydrophobicContact CB-CB 4.12Å; V258-I320 HydrophobicContact CB-CG2 4.39Å; V258-I320 PolarHBondContact N-O 2.85Å; V258-I320 PolarHBondContact O-N 3.08Å; T260-I320 HydrophobicContact CG2-CD1 3.65Å; T260-I320 HydrophobicContact CG2-CG1 4.24Å; V265-I320 HydrophobicContact CG1-CD1 4.02Å; V265-I320 HydrophobicContact CG1-CG1 4.32Å; V300-I320 HydrophobicContact CB-CG2 4.27Å; V300-I320 HydrophobicContact CG1-CG2 3.75Å; V300-I320 HydrophobicContact CG2-CG2 3.58Å; F303-I320 HydrophobicContact CB-CG1 3.88Å; I320-L322 HydrophobicContact CG2-CD2 3.92Å
321L93.3Very high84.1Confident3 Ų339.2 Ų39.22%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-102.7116.2166.3-17675.9000109.2R256 F257 E301 K302 F458R256-L321 HydrophobicContact CB-CD1 3.72Å; R256-L321 CarbonylContact O-C 3.56Å; R256-L321 WeakPolarHBondContact O-CA 3.49Å; F257-L321 HydrophobicContact CD1-CD1 4.22Å; F257-L321 HydrophobicContact CE1-CD1 3.73Å; F257-L321 HydrophobicContact CZ-CD1 4.13Å; E301-L321 HydrophobicContact CB-CD2 4.27Å; E301-L321 PolarHBondContact N-O 2.98Å; K302-L321 PolarHBondContact N-O 3.41Å; K302-L321 PolarHBondContact O-N 3.33Å; L321-F458 HydrophobicContact CB-CD1 4.49Å; L321-F458 HydrophobicContact CB-CD2 4.25Å; L321-F458 HydrophobicContact CB-CE2 4.32Å; L321-F458 HydrophobicContact CB-CG 4.31Å; L321-F458 HydrophobicContact CB-CZ 4.48Å; L321-F458 HydrophobicContact CD2-CB 3.98Å; L321-F458 HydrophobicContact CD2-CD1 4.44Å; L321-F458 HydrophobicContact CD2-CG 4.18Å
322L91.6Very high85.3Confident0 Ų029.6 Ų29.60%014%0.138CC..EExtended strand (participates in β ladder)trans-74.1146.9176.6-60.9-177.5000111.3R256 V258 A281 I320 R324 I326R256-L322 HydrophobicContact CB-CB 4.48Å; R256-L322 VanDerWaalsContact CZ-O 3.24Å; R256-L322 PolarHBondContact NE-O 3.05Å; R256-L322 PolarHBondContact NH2-O 2.63Å; R256-L322 WeakPolarHBondContact O-CG 3.37Å; R256-L322 PolarHBondContact O-N 2.82Å; V258-L322 HydrophobicContact CG2-CD1 3.9Å; V258-L322 HydrophobicContact CG2-CD2 4.13Å; V258-L322 HydrophobicContact CG2-CG 4.09Å; A281-L322 HydrophobicContact CB-CD2 3.42Å; A281-L322 VanDerWaalsContact CB-CD2 3.42Å; I320-L322 HydrophobicContact CG2-CD2 3.92Å; L322-R324 VanDerWaalsContact C-N 3.34Å; L322-R324 WeakPolarHBondContact CB-O 2.98Å; L322-I326 HydrophobicContact CD1-CD1 4.23Å; L322-I326 HydrophobicContact CD1-CG1 3.58Å
323R86.4Confident86.4Confident143 Ų14328.7 Ų28.754%0.5413%0.131SC..EExtended strand (participates in β ladder)trans-67.1-35.9174.3-71.1-179.3-174.5-171-2.3112.4G299 V300 E301G299-R323 WeakPolarHBondContact O-CB 3.43Å; G299-R323 WeakPolarHBondContact O-CG 3.18Å; G299-R323 PolarHBondContact O-N 3.11Å; V300-R323 PolarHBondContact O-NE 3.22Å; E301-R323 HydrophobicContact CB-CG 3.79Å; E301-R323 HydrophobicContact CG-CG 4.41Å
324R82.3Confident87.6Confident83 Ų8325.8 Ų25.831%0.31312%0.118SC..EExtended strand (participates in β ladder)trans-95.4138.5176.9-59.2174.6132.2-174-16.8110.5R30 V297 S298 L322 I326R30-R324 VanDerWaalsContact NE-NH2 3.14Å; R30-R324 VanDerWaalsContact NH2-NE 3.13Å; V297-R324 WeakPolarHBondContact O-CD 3.37Å; V297-R324 PolarHBondContact O-NH1 2.92Å; S298-R324 VanDerWaalsContact OG-CB 3.31Å; S298-R324 WeakPolarHBondContact OG-CB 3.38Å; S298-R324 PolarHBondContact OG-N 3.05Å; S298-R324 VanDerWaalsContact OG-N 3.08Å; L322-R324 VanDerWaalsContact C-N 3.34Å; L322-R324 WeakPolarHBondContact CB-O 2.98Å; R324-I326 HydrophobicContact CB-CD1 4.41Å
325T83.6Confident88.7Confident56 Ų5622.2 Ų22.234%0.34411%0.105SC..EExtended strand (participates in β ladder)trans-65.6128.4159.2-58.30000108.4S254 R256S254-T325 VanDerWaalsContact CB-CG2 3.49Å; S254-T325 WeakPolarHBondContact OG-CG2 3.23Å; R256-T325 WeakPolarHBondContact CD-OG1 3.36Å
326I84.6Confident89.3Confident3 Ų321 Ų212%0.01510%0.099CC..EExtended strand (participates in β ladder)trans-101.7110.8177-55.2-58.1000107.1S254 T255 V283 V296 L322 R324 I332S254-I326 CarbonylContact C-O 3.48Å; S254-I326 WeakPolarHBondContact CA-O 3.16Å; S254-I326 VanDerWaalsContact CB-O 3.24Å; S254-I326 WeakPolarHBondContact CB-O 3.33Å; T255-I326 PolarHBondContact N-O 2.8Å; T255-I326 WeakPolarHBondContact O-CB 3.08Å; T255-I326 PolarHBondContact O-N 3.34Å; V283-I326 HydrophobicContact CG2-CD1 4.38Å; V283-I326 HydrophobicContact CG2-CG2 4.03Å; V296-I326 HydrophobicContact CB-CD1 4.49Å; V296-I326 HydrophobicContact CG1-CD1 3.65Å; L322-I326 HydrophobicContact CD1-CD1 4.23Å; L322-I326 HydrophobicContact CD1-CG1 3.58Å; R324-I326 HydrophobicContact CB-CD1 4.41Å; I326-I332 HydrophobicContact CG2-CG2 3.65Å
327T83Confident89.6Confident23 Ų2322.2 Ų22.214%0.14111%0.105CC..EExtended strand (participates in β ladder)trans-75.6136.2171.9-560000109.2
328F83.9Confident89.6Confident14 Ų1422.5 Ų22.56%0.06111%0.107CC..  trans-74140.4177.4-59-49.2000110.9V196 R248 N253 T255 I332 M333 P334V196-F328 HydrophobicContact CB-CB 4.43Å; V196-F328 HydrophobicContact CB-CD2 3.79Å; V196-F328 HydrophobicContact CB-CG 4.5Å; V196-F328 HydrophobicContact CG1-CB 4.07Å; V196-F328 HydrophobicContact CG1-CD2 3.92Å; V196-F328 HydrophobicContact CG1-CG 4.23Å; V196-F328 HydrophobicContact CG2-CB 4.24Å; V196-F328 HydrophobicContact CG2-CD2 4.2Å; R248-F328 HydrophobicContact CB-CE2 4.45Å; R248-F328 HydrophobicContact CB-CZ 4.14Å; R248-F328 HydrophobicContact CG-CE2 4.25Å; R248-F328 HydrophobicContact CG-CZ 4.37Å; N253-F328 WeakPolarHBondContact O-CB 3.47Å; N253-F328 WeakPolarHBondContact O-CD2 3.37Å; N253-F328 WeakPolarHBondContact O-CG 3.31Å; N253-F328 PolarHBondContact O-N 2.85Å; T255-F328 HydrophobicContact CG2-CE1 3.5Å; T255-F328 HydrophobicContact CG2-CZ 3.6Å; F328-I332 CarbonylContact C-O 3.54Å; F328-I332 WeakPolarHBondContact CA-O 3.36Å; F328-I332 WeakPolarHBondContact CB-O 3.38Å; F328-M333 HydrophobicContact CB-SD 4.03Å; F328-P334 HydrophobicContact CD1-CG 4.34Å; F328-P334 HydrophobicContact CD2-CG 4.37Å; F328-P334 HydrophobicContact CE1-CB 3.84Å; F328-P334 VanDerWaalsContact CE1-CD 3.48Å; F328-P334 HydrophobicContact CE1-CG 3.77Å; F328-P334 HydrophobicContact CE2-CG 3.84Å; F328-P334 HydrophobicContact CZ-CB 3.73Å; F328-P334 HydrophobicContact CZ-CG 3.49Å; F328-P334 VanDerWaalsContact CZ-CG 3.49Å
329T81.2Confident89.4Confident22 Ų2228 Ų2814%0.13513%0.131CC..  trans-135.7-179.7-177.373.50000108.6G144 T331 I332 M333G144-T329 WeakPolarHBondContact O-CB 3.27Å; G144-T329 WeakPolarHBondContact O-CG2 3.38Å; T329-T331 PolarHBondContact O-N 3.15Å; T329-T331 PolarHBondContact OG1-N 3.38Å; T329-T331 PolarHBondContact OG1-OG1 3.27Å; T329-I332 PolarHBondContact N-O 2.65Å; T329-I332 CarbonylContact O-C 3.59Å; T329-I332 PolarHBondContact O-N 2.97Å; T329-I332 PolarHBondContact OG1-N 3.48Å; T329-M333 WeakPolarHBondContact O-CE 3.04Å; T329-M333 WeakPolarHBondContact O-CG 3.23Å
330D79.7Confident89.2Confident72 Ų7231 Ų3139%0.38515%0.151SC..SBendtrans-64.7-21.8175.6-66.3-20000112.9K202 H203K202-D330 HydrophobicContact CB-CB 4.03Å; K202-D330 HydrophobicContact CG-CB 4.16Å; H203-D330 PolarHBondContact CD2-O 3.27Å
331T82Confident89Confident7 Ų740.3 Ų40.34%0.04319%0.186CC..SBendtrans-104.2-11.4-179.157.60000113.7H222 P225 D294 T329H222-T331 HydrophobicContact CB-CG2 3.57Å; H222-T331 VanDerWaalsContact CG-CG2 3.48Å; P225-T331 WeakPolarHBondContact CA-O 3.42Å; P225-T331 VanDerWaalsContact CB-O 3.28Å; P225-T331 WeakPolarHBondContact CB-O 3.48Å; D294-T331 HydrophobicContact CB-CG2 4.06Å; D294-T331 WeakPolarHBondContact CB-OG1 3.42Å; D294-T331 PolarHBondContact OD1-OG1 3.06Å; D294-T331 VanDerWaalsContact OD1-OG1 3.06Å; T329-T331 PolarHBondContact O-N 3.15Å; T329-T331 PolarHBondContact OG1-N 3.38Å; T329-T331 PolarHBondContact OG1-OG1 3.27Å
332I89.8Confident89Confident2 Ų242.3 Ų42.31%0.0120%0.196CC..  trans-131.2107.1-179-59171000109.3P225 L246 V283 D294 V296 I326 F328 T329P225-I332 WeakPolarHBondContact O-CA 3.09Å; L246-I332 HydrophobicContact CD1-CG2 3.4Å; L246-I332 VanDerWaalsContact CD1-CG2 3.4Å; V283-I332 HydrophobicContact CG2-CD1 3.9Å; V283-I332 HydrophobicContact CG2-CG1 4.38Å; V283-I332 HydrophobicContact CG2-CG2 4.3Å; D294-I332 WeakPolarHBondContact O-CD1 3.4Å; V296-I332 HydrophobicContact CB-CD1 4.24Å; V296-I332 HydrophobicContact CG2-CD1 3.73Å; I326-I332 HydrophobicContact CG2-CG2 3.65Å; F328-I332 CarbonylContact C-O 3.54Å; F328-I332 WeakPolarHBondContact CA-O 3.36Å; F328-I332 WeakPolarHBondContact CB-O 3.38Å; T329-I332 PolarHBondContact N-O 2.65Å; T329-I332 CarbonylContact O-C 3.59Å; T329-I332 PolarHBondContact O-N 2.97Å; T329-I332 PolarHBondContact OG1-N 3.48Å
333M92.3Very high89.1Confident12 Ų1247.4 Ų47.46%0.05923%0.229CC..  trans-140.8152.3-176.7-70.2-70.5-157.700110.3V196 K202 P225 W226 F328 T329V196-M333 HydrophobicContact CG1-CE 4.05Å; V196-M333 HydrophobicContact CG1-SD 3.37Å; V196-M333 WeakPolarHBondContact CG1-SD 3.49Å; K202-M333 HydrophobicContact CD-CE 4.4Å; K202-M333 HydrophobicContact CG-CE 3.82Å; P225-M333 CarbonylContact C-O 3.6Å; P225-M333 HydrophobicContact CB-CB 3.87Å; P225-M333 HydrophobicContact CB-CG 4.22Å; P225-M333 HydrophobicContact CG-CB 3.7Å; P225-M333 HydrophobicContact CG-CG 4.17Å; P225-M333 PolarHBondContact O-N 3.42Å; W226-M333 WeakPolarHBondContact CA-O 3.42Å; W226-M333 VanDerWaalsContact CB-O 3.23Å; W226-M333 WeakPolarHBondContact CB-O 3.39Å; W226-M333 PolarHBondContact N-O 2.89Å; F328-M333 HydrophobicContact CB-SD 4.03Å; T329-M333 WeakPolarHBondContact O-CE 3.04Å; T329-M333 WeakPolarHBondContact O-CG 3.23Å
334P96.4Very high89.5Confident0 Ų042.4 Ų42.40%021%0.213CC..PPolyproline II helixtrans-83146178.733.4-30.8000111.5C198 G199 L246 R248 F328C198-P334 WeakPolarHBondContact CA-O 3.33Å; C198-P334 HydrophobicContact CB-CG 4.11Å; G199-P334 PolarHBondContact N-O 3.27Å; L246-P334 WeakPolarHBondContact O-CA 3.47Å; R248-P334 HydrophobicContact CB-CB 3.67Å; R248-P334 HydrophobicContact CB-CG 3.8Å; F328-P334 HydrophobicContact CD1-CG 4.34Å; F328-P334 HydrophobicContact CD2-CG 4.37Å; F328-P334 HydrophobicContact CE1-CB 3.84Å; F328-P334 VanDerWaalsContact CE1-CD 3.48Å; F328-P334 HydrophobicContact CE1-CG 3.77Å; F328-P334 HydrophobicContact CE2-CG 3.84Å; F328-P334 HydrophobicContact CZ-CB 3.73Å; F328-P334 HydrophobicContact CZ-CG 3.49Å; F328-P334 VanDerWaalsContact CZ-CG 3.49Å
335V97.7Very high90Very high2 Ų239.4 Ų39.41%0.01220%0.204CC..BIsolated β-bridgetrans-78.9149.9165.966.90000110.2W226 L246 V247 V413 F420 L422W226-V335 HydrophobicContact CB-CB 3.84Å; W226-V335 HydrophobicContact CB-CG1 4.32Å; W226-V335 HydrophobicContact CD2-CB 3.86Å; W226-V335 HydrophobicContact CD2-CG2 4.23Å; W226-V335 HydrophobicContact CE3-CB 4.25Å; W226-V335 HydrophobicContact CG-CB 3.66Å; W226-V335 HydrophobicContact CG-CG1 4.41Å; W226-V335 HydrophobicContact CG-CG2 4.38Å; L246-V335 PolarHBondContact O-N 3.39Å; V247-V335 HydrophobicContact CG1-CG1 4.11Å; V335-V413 HydrophobicContact CG2-CG1 3.67Å; V335-F420 WeakPolarHBondContact CG2-O 3.5Å; V335-L422 HydrophobicContact CB-CB 4.46Å; V335-L422 HydrophobicContact CG1-CB 3.7Å; V335-L422 HydrophobicContact CG1-CD2 4.07Å; V335-L422 HydrophobicContact CG1-CG 4.32Å; V335-L422 HydrophobicContact CG2-CB 3.9Å
336C96.5Very high90.2Very high0 Ų045.1 Ų45.10%022%0.224CC..BIsolated β-bridgetrans-73.3147173.9-64.90000111.5C198 F420 F421 L422C198-C336 HydrophobicContact CB-CB 4.02Å; C198-C336 WeakPolarHBondContact CB-SG 3.16Å; C198-C336 PolarHBondContact O-SG 3.14Å; C198-C336 WeakPolarHBondContact SG-CA 3.36Å; C198-C336 WeakPolarHBondContact SG-CB 3.26Å; C198-C336 CovalentContact SG-SG 2.05Å; C198-C336 PolarHBondContact SG-SG 2.91Å; C336-F420 WeakPolarHBondContact CB-O 3.12Å; C336-F420 PolarHBondContact N-O 2.92Å; C336-F420 VanDerWaalsContact N-O 3.15Å; C336-F421 HydrophobicContact CB-CD1 3.42Å; C336-F421 VanDerWaalsContact CB-CD1 3.42Å; C336-F421 HydrophobicContact CB-CD2 4.33Å; C336-F421 HydrophobicContact CB-CE1 3.47Å; C336-F421 VanDerWaalsContact CB-CE1 3.47Å; C336-F421 HydrophobicContact CB-CE2 4.39Å; C336-F421 HydrophobicContact CB-CG 3.87Å; C336-F421 HydrophobicContact CB-CZ 3.98Å; C336-F421 CarbonylContact O-C 3.54Å; C336-F421 WeakPolarHBondContact O-CA 3.4Å; C336-L422 PolarHBondContact O-N 3.32Å
337L96.2Very high90.3Very high25 Ų2553.1 Ų53.113%0.13127%0.267CS..PPolyproline II helixtrans-94.8140170.5-67.7178.3000110V247 L249 L259 L422 V444 I448V247-L337 HydrophobicContact CG1-CD2 3.93Å; V247-L337 HydrophobicContact CG1-CG 4.43Å; L249-L337 HydrophobicContact CD2-CD1 3.65Å; L259-L337 HydrophobicContact CD1-CD2 3.76Å; L337-L422 HydrophobicContact CD2-CD2 4.21Å; L337-V444 HydrophobicContact CD2-CG1 4Å; L337-I448 HydrophobicContact CB-CD1 4.09Å
338P95.2Very high90.7Very high5 Ų553.9 Ų53.93%0.03227%0.271CS..PPolyproline II helixtrans-67164.2174.329.4-35.7000110.9E342 L422 Y423 V444 A445 I448P338-E342 HydrophobicContact CB-CB 4.49Å; P338-L422 WeakPolarHBondContact CD-O 3.42Å; P338-Y423 HydrophobicContact CB-CD1 4.08Å; P338-Y423 HydrophobicContact CB-CE1 3.69Å; P338-Y423 HydrophobicContact CG-CD1 4.32Å; P338-Y423 HydrophobicContact CG-CE1 4.43Å; P338-V444 HydrophobicContact CG-CB 4.25Å; P338-V444 HydrophobicContact CG-CG1 4.07Å; P338-A445 HydrophobicContact CB-CB 4.34Å; P338-A445 HydrophobicContact CG-CB 4.09Å; P338-I448 HydrophobicContact CG-CD1 4.43Å; P338-I448 VanDerWaalsContact O-CD1 3.27Å; P338-I448 WeakPolarHBondContact O-CD1 3.48Å; P338-I448 WeakPolarHBondContact O-CG1 3.24Å
339K90.5Very high91.1Very high116 Ų11656.2 Ų56.250%0.50429%0.288SS..PPolyproline II helixtrans-67.6154.9171.8-65.6177.7177.4178.20110.2R341 E342K339-R341 PolarHBondContact O-N 2.82Å; K339-E342 HydrophobicContact CB-CB 4.06Å; K339-E342 WeakPolarHBondContact CB-OE2 3.42Å; K339-E342 PolarHBondContact N-OE2 2.93Å; K339-E342 VanDerWaalsContact O-CB 3.28Å; K339-E342 WeakPolarHBondContact O-CB 3.32Å; K339-E342 PolarHBondContact O-N 2.81Å; K339-E342 VanDerWaalsContact O-N 3.09Å
340S92Very high91.7Very high62 Ų6255.3 Ų55.343%0.43428%0.282SS..THydrogen-bonded Turntrans-61.2124.6178.3-177.70000110.2E342S340-E342 PolarHBondContact O-N 2.82Å
341R90.9Very high92.5Very high196 Ų19652.3 Ų52.374%0.7427%0.266SS*.THydrogen-bonded Turntrans57.524.8-176.8-53176.7177.4171.6-2.1113.9K339 A445K339-R341 PolarHBondContact O-N 2.82Å; R341-A445 PolarHBondContact N-O 2.98Å
342E93.3Very high93Very high46 Ų4652.3 Ų52.322%0.21527%0.265CS..PPolyproline II helixtrans-60.6132.5168.8-166.4177.5144.400109.6P338 K339 S340 Y423 A445P338-E342 HydrophobicContact CB-CB 4.49Å; K339-E342 HydrophobicContact CB-CB 4.06Å; K339-E342 WeakPolarHBondContact CB-OE2 3.42Å; K339-E342 PolarHBondContact N-OE2 2.93Å; K339-E342 VanDerWaalsContact O-CB 3.28Å; K339-E342 WeakPolarHBondContact O-CB 3.32Å; K339-E342 PolarHBondContact O-N 2.81Å; K339-E342 VanDerWaalsContact O-N 3.09Å; S340-E342 PolarHBondContact O-N 2.82Å; E342-Y423 PolarHBondContact OE1-OH 2.83Å; E342-A445 HydrophobicContact CB-CB 4.42Å; E342-A445 WeakPolarHBondContact O-CB 3.49Å
343P93.5Very high93.2Very high106 Ų10652.7 Ų52.769%0.68827%0.268SS*.PPolyproline II helixtrans-59.1146.4174-22.633.6000111.3
344L94.1Very high93.3Very high39 Ų3952.2 Ų52.220%0.20427%0.267CS..PPolyproline II helixtrans-56.4134169.9-72.3170.8000110.1I375 F392 Y423 E443L344-I375 HydrophobicContact CB-CD1 4.36Å; L344-I375 HydrophobicContact CB-CG2 4.38Å; L344-I375 HydrophobicContact CD1-CG2 4.07Å; L344-I375 HydrophobicContact CD2-CD1 4.26Å; L344-F392 HydrophobicContact CD1-CB 3.59Å; L344-F392 HydrophobicContact CD1-CD1 3.91Å; L344-F392 HydrophobicContact CD1-CD2 4.01Å; L344-F392 HydrophobicContact CD1-CG 3.56Å; L344-F392 HydrophobicContact CD2-CD1 3.96Å; L344-F392 HydrophobicContact CD2-CD2 4.46Å; L344-F392 HydrophobicContact CD2-CE1 3.87Å; L344-F392 HydrophobicContact CD2-CE2 4.38Å; L344-F392 HydrophobicContact CD2-CG 4.26Å; L344-F392 HydrophobicContact CD2-CZ 4.08Å; L344-Y423 HydrophobicContact CD2-CD1 4.1Å; L344-E443 HydrophobicContact CD2-CG 4.07Å; L344-E443 HydrophobicContact CG-CG 4.38Å
345P93Very high93Very high20 Ų2052.7 Ų52.713%0.1327%0.268CS..PPolyproline II helixtrans-70.8140.5-179.633.2-37.1000109.1V348 I375 C414 V416 Y423P345-V348 HydrophobicContact CB-CB 4.48Å; P345-V348 HydrophobicContact CB-CG1 4.15Å; P345-V348 HydrophobicContact CB-CG2 3.49Å; P345-V348 VanDerWaalsContact CB-CG2 3.49Å; P345-V348 HydrophobicContact CG-CG2 3.56Å; P345-I375 HydrophobicContact CG-CD1 4.07Å; P345-I375 WeakPolarHBondContact O-CD1 3.16Å; P345-C414 HydrophobicContact CG-CB 4.06Å; P345-V416 HydrophobicContact CB-CG2 4.19Å; P345-V416 HydrophobicContact CG-CG2 4.38Å; P345-Y423 HydrophobicContact CG-CD2 4.04Å; P345-Y423 HydrophobicContact CG-CE1 4.27Å; P345-Y423 HydrophobicContact CG-CE2 3.72Å; P345-Y423 HydrophobicContact CG-CG 4.41Å
346K87.7Confident92.2Very high176 Ų17652.7 Ų52.777%0.76527%0.269SS*.SBendtrans-105.1142.3179.9-64.4-176.7-179.5-179.90109.7V348K346-V348 PolarHBondContact O-N 2.85Å; K346-V348 VanDerWaalsContact O-N 3.13Å
347D87.4Confident90.8Very high170 Ų17053.1 Ų53.191%0.90927%0.272SS*.SBendtrans55.331.4173.7-49.8-52.4000113.6
348V92.1Very high89Confident40 Ų4055.7 Ų55.724%0.24229%0.285CS..  trans-107.7150.9173.9-590000111P345 K346 C350 C414P345-V348 HydrophobicContact CB-CB 4.48Å; P345-V348 HydrophobicContact CB-CG1 4.15Å; P345-V348 HydrophobicContact CB-CG2 3.49Å; P345-V348 VanDerWaalsContact CB-CG2 3.49Å; P345-V348 HydrophobicContact CG-CG2 3.56Å; K346-V348 PolarHBondContact O-N 2.85Å; K346-V348 VanDerWaalsContact O-N 3.13Å; V348-C350 PolarHBondContact O-N 2.68Å; V348-C414 HydrophobicContact CG2-CB 3.94Å
349P91.9Very high87.1Confident62 Ų6259.2 Ų59.240%0.40331%0.306SS..  trans-64.3122.6174.6-19.632.4000111.2Y351 C414 I415P349-Y351 HydrophobicContact CB-CE2 3.82Å; P349-C414 WeakPolarHBondContact O-CA 3.32Å; P349-I415 HydrophobicContact CB-CD1 4.43Å; P349-I415 PolarHBondContact O-N 3.05Å
350C94.7Very high85.5Confident3 Ų356.6 Ų56.62%0.0230%0.302CS..EExtended strand (participates in β ladder)trans-123.5149.3173.1-56.70000110.9V348 D372 V373 L412 V413 C414V348-C350 PolarHBondContact O-N 2.68Å; C350-D372 WeakPolarHBondContact O-CA 3.31Å; C350-V373 HydrophobicContact CB-CG2 4.25Å; C350-V373 WeakPolarHBondContact CB-O 3.41Å; C350-V373 PolarHBondContact O-N 3.24Å; C350-L412 HydrophobicContact CB-CD2 4.02Å; C350-V413 CarbonylContact C-O 3.59Å; C350-V413 WeakPolarHBondContact CA-O 3.3Å; C350-C414 HydrophobicContact CB-CB 4.1Å; C350-C414 WeakPolarHBondContact CB-SG 3.33Å; C350-C414 WeakPolarHBondContact SG-CB 3.41Å; C350-C414 CovalentContact SG-SG 2.05Å; C350-C414 PolarHBondContact SG-SG 2.05Å
351Y94.7Very high83.8Confident10 Ų1057 Ų574%0.03932%0.317CS..EExtended strand (participates in β ladder)trans-138.5146-174.7-54.6-91.8000110.3F205 R207 W217 P349 V370 V371 D372 L412 V413 I415 F420F205-Y351 AromaticContact CE1-CD1 3.8Å; F205-Y351 HydrophobicContact CE1-CD1 3.8Å; F205-Y351 AromaticContact CE1-CD2 3.93Å; F205-Y351 HydrophobicContact CE1-CD2 3.93Å; F205-Y351 AromaticContact CE1-CE1 3.83Å; F205-Y351 HydrophobicContact CE1-CE1 3.83Å; F205-Y351 AromaticContact CE1-CE2 3.99Å; F205-Y351 HydrophobicContact CE1-CE2 3.99Å; F205-Y351 AromaticContact CE1-CG 3.85Å; F205-Y351 HydrophobicContact CE1-CG 3.85Å; F205-Y351 AromaticContact CE1-CZ 3.93Å; F205-Y351 AromaticContact CZ-CD1 3.94Å; F205-Y351 HydrophobicContact CZ-CD1 3.94Å; F205-Y351 HydrophobicContact CZ-CD2 4.05Å; F205-Y351 HydrophobicContact CZ-CE1 4.44Å; F205-Y351 AromaticContact CZ-CG 3.72Å; F205-Y351 HydrophobicContact CZ-CG 3.72Å; R207-Y351 WeakPolarHBondContact CB-OH 3.24Å; R207-Y351 WeakPolarHBondContact O-CE1 3.32Å; W217-Y351 HydrophobicContact CH2-CD1 4.27Å; W217-Y351 HydrophobicContact CH2-CE1 4.04Å; W217-Y351 HydrophobicContact CZ2-CD1 4.28Å; W217-Y351 HydrophobicContact CZ2-CE1 4.08Å; P349-Y351 HydrophobicContact CB-CE2 3.82Å; Y351-V370 HydrophobicContact CD1-CG1 3.97Å; Y351-V370 HydrophobicContact CG-CG1 4.42Å; Y351-V371 VanDerWaalsContact CA-O 3.31Å; Y351-V371 WeakPolarHBondContact CA-O 3.35Å; Y351-D372 HydrophobicContact CD1-CB 4.15Å; Y351-D372 HydrophobicContact CE1-CB 4.06Å; Y351-L412 WeakPolarHBondContact O-CA 3.44Å; Y351-V413 PolarHBondContact N-O 3.33Å; Y351-V413 PolarHBondContact O-N 3.14Å; Y351-I415 HydrophobicContact CE2-CD1 3.82Å; Y351-I415 HydrophobicContact CE2-CG1 4.23Å; Y351-F420 HydrophobicContact CD2-CE1 4.24Å
352I93.6Very high82.6Confident7 Ų752.6 Ų52.64%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-114.4151.4167.255.3165.6000109V370 V371 V373 D402 A403 P411 L412 Y441I352-V370 WeakPolarHBondContact O-CA 3.33Å; I352-V371 HydrophobicContact CD1-CG1 3.37Å; I352-V371 HydrophobicContact CG1-CB 4.48Å; I352-V371 HydrophobicContact CG1-CG1 3.24Å; I352-V371 PolarHBondContact N-O 3.32Å; I352-V371 PolarHBondContact O-N 2.66Å; I352-V373 HydrophobicContact CD1-CG1 4.2Å; I352-V373 HydrophobicContact CG1-CG1 4.16Å; I352-V373 HydrophobicContact CG2-CG2 4.13Å; I352-D402 VanDerWaalsContact CD1-C 3.5Å; I352-A403 HydrophobicContact CD1-CB 3.66Å; I352-P411 WeakPolarHBondContact CA-O 3.2Å; I352-L412 HydrophobicContact CG2-CB 3.79Å; I352-L412 HydrophobicContact CG2-CD1 4.01Å; I352-L412 HydrophobicContact CG2-CG 3.82Å; I352-Y441 HydrophobicContact CG2-CE1 3.8Å
353S94Very high81.5Confident9 Ų955 Ų556%0.06333%0.33CS..EExtended strand (participates in β ladder)trans-145.1148.9-179.355.50000112.7Q227 Q369 P411Q227-S353 PolarHBondContact OE1-O 3.16Å; Q227-S353 PolarHBondContact OE1-OG 3.45Å; S353-Q369 VanDerWaalsContact CA-O 3.23Å; S353-Q369 WeakPolarHBondContact CA-O 3.47Å; S353-Q369 WeakPolarHBondContact CB-O 3.22Å; S353-P411 WeakPolarHBondContact OG-CG 3.43Å
354G93.7Very high80.7Confident3 Ų352.7 Ų52.73%0.03132%0.315CS..EExtended strand (participates in β ladder)trans170.8-177.7176.400000114.4L368 Q369 D407G354-L368 WeakPolarHBondContact O-CD1 3.5Å; G354-Q369 PolarHBondContact N-O 3.25Å; G354-Q369 VanDerWaalsContact N-O 3.1Å; G354-Q369 PolarHBondContact O-N 3.2Å; G354-D407 VanDerWaalsContact C-OD1 3.29Å; G354-D407 WeakPolarHBondContact CA-OD1 3.35Å
355W90.6Very high80.1Confident9 Ų951.5 Ų51.53%0.03431%0.31CS..SBendtrans-109.719.4178.5-63.5-89.6000111.6Q227 R229 A285 H286 F288 P364 S365 L368 D407Q227-W355 HydrophobicContact CB-CH2 4.21Å; Q227-W355 HydrophobicContact CG-CE3 4.31Å; Q227-W355 HydrophobicContact CG-CH2 3.34Å; Q227-W355 HydrophobicContact CG-CZ2 4.38Å; Q227-W355 HydrophobicContact CG-CZ3 3.3Å; R229-W355 HydrophobicContact CB-CE3 3.93Å; R229-W355 HydrophobicContact CB-CH2 4.45Å; R229-W355 HydrophobicContact CB-CZ3 3.71Å; R229-W355 HydrophobicContact CG-CE3 4.18Å; R229-W355 HydrophobicContact CG-CZ3 4.46Å; A285-W355 HydrophobicContact CB-CZ2 4.47Å; A285-W355 WeakPolarHBondContact O-CZ2 3.23Å; H286-W355 PolarHBondContact O-NE1 3.27Å; F288-W355 AromaticContact CD2-CD1 3.82Å; F288-W355 HydrophobicContact CD2-CD2 4.25Å; F288-W355 AromaticContact CD2-CE2 3.87Å; F288-W355 HydrophobicContact CD2-CG 4.24Å; F288-W355 HydrophobicContact CD2-CZ2 4.42Å; F288-W355 AromaticContact CD2-NE1 3.57Å; F288-W355 AromaticContact CE2-CD2 3.85Å; F288-W355 HydrophobicContact CE2-CD2 3.85Å; F288-W355 AromaticContact CE2-CE2 3.47Å; F288-W355 VanDerWaalsContact CE2-CE2 3.47Å; F288-W355 HydrophobicContact CE2-CE3 4.35Å; F288-W355 HydrophobicContact CE2-CG 4.29Å; F288-W355 HydrophobicContact CE2-CH2 4.18Å; F288-W355 AromaticContact CE2-CZ2 3.68Å; F288-W355 HydrophobicContact CE2-CZ2 3.68Å; F288-W355 HydrophobicContact CE2-CZ3 4.48Å; F288-W355 AromaticContact CE2-NE1 3.69Å; W355-P364 WeakPolarHBondContact O-CA 3.18Å; W355-P364 VanDerWaalsContact O-CB 3.25Å; W355-P364 WeakPolarHBondContact O-CB 3.43Å; W355-S365 PolarHBondContact O-N 2.73Å; W355-L368 HydrophobicContact CD2-CD1 3.93Å; W355-L368 HydrophobicContact CE3-CD1 4.13Å; W355-L368 HydrophobicContact CH2-CD1 3.96Å; W355-L368 HydrophobicContact CZ2-CB 3.89Å; W355-L368 HydrophobicContact CZ2-CD1 3.72Å; W355-L368 HydrophobicContact CZ2-CD2 4.25Å; W355-L368 HydrophobicContact CZ2-CG 4.17Å; W355-L368 HydrophobicContact CZ3-CD1 4.16Å; W355-D407 PolarHBondContact N-OD1 2.94Å
356G81.5Confident79.7Confident3 Ų357.3 Ų57.33%0.03133%0.33CS..SBendtrans-60.4177176.200000112.9I358 S365 Q405 D407G356-I358 PolarHBondContact O-N 2.94Å; G356-S365 PolarHBondContact O-N 3.32Å; G356-Q405 CarbonylContact C-O 3.57Å; G356-Q405 WeakPolarHBondContact CA-O 3.29Å; G356-D407 VanDerWaalsContact CA-OD1 3.26Å; G356-D407 WeakPolarHBondContact CA-OD1 3.44Å; G356-D407 PolarHBondContact N-OD1 2.8Å
357S66.4Low79.5Confident8 Ų849.7 Ų49.76%0.05630%0.299CS..BIsolated β-bridgetrans-69.8128.4179.9-45.30000108.6V359 D362 C404 Q405S357-V359 WeakPolarHBondContact CB-O 3.34Å; S357-V359 PolarHBondContact O-N 3.28Å; S357-D362 WeakPolarHBondContact CB-O 3.45Å; S357-D362 PolarHBondContact OG-O 3.33Å; S357-D362 VanDerWaalsContact OG-O 3.05Å; S357-C404 WeakPolarHBondContact O-CB 3.46Å; S357-C404 PolarHBondContact O-SG 3.04Å; S357-Q405 PolarHBondContact N-O 2.85Å; S357-Q405 PolarHBondContact OG-O 2.89Å
358I57.5Low79.7Confident79 Ų7941.8 Ų41.841%0.40526%0.256SS..SBendtrans-67.3-30.4179.6-60.3172.5000110.6I213 G356 Q369I213-I358 HydrophobicContact CG2-CG2 3.64Å; G356-I358 PolarHBondContact O-N 2.94Å; I358-Q369 HydrophobicContact CG1-CG 4.47Å
359V56.3Low79.6Confident80 Ų8041.2 Ų41.249%0.48525%0.251SS..SBendtrans-123.4144.7173.3-176.10000107.9S357 G361 D362S357-V359 WeakPolarHBondContact CB-O 3.34Å; S357-V359 PolarHBondContact O-N 3.28Å; V359-G361 PolarHBondContact O-N 2.86Å; V359-D362 HydrophobicContact CB-CB 4.2Å; V359-D362 WeakPolarHBondContact CB-OD2 3.36Å; V359-D362 WeakPolarHBondContact O-CB 3.4Å; V359-D362 PolarHBondContact O-N 3.3Å; V359-D362 VanDerWaalsContact O-N 3.08Å
360S56.5Low79.5Confident60 Ų6038.5 Ų38.542%0.4223%0.233SC..THydrogen-bonded Turntrans-61.4127.2-179.6-165.90000111.4D362 Q405S360-D362 VanDerWaalsContact C-N 3.33Å; S360-Q405 PolarHBondContact OG-NE2 3.17Å; S360-Q405 PolarHBondContact OG-OE1 3.41Å
361G57.6Low79.2Confident72 Ų7238.9 Ų38.974%0.74224%0.235SC*.THydrogen-bonded Turntrans85-3.9-177.900000115.4V359V359-G361 PolarHBondContact O-N 2.86Å
362D64.5Low79Confident102 Ų10239.7 Ų39.755%0.54524%0.24SC..SBendtrans-80.3177.3173.9-98.3-18.9000112.7S357 V359 S360S357-D362 WeakPolarHBondContact CB-O 3.45Å; S357-D362 PolarHBondContact OG-O 3.33Å; S357-D362 VanDerWaalsContact OG-O 3.05Å; V359-D362 HydrophobicContact CB-CB 4.2Å; V359-D362 WeakPolarHBondContact CB-OD2 3.36Å; V359-D362 WeakPolarHBondContact O-CB 3.4Å; V359-D362 PolarHBondContact O-N 3.3Å; V359-D362 VanDerWaalsContact O-N 3.08Å; S360-D362 VanDerWaalsContact C-N 3.33Å
363S70.8Confident78.9Confident98 Ų9839.5 Ų39.569%0.68524%0.239SC*.PPolyproline II helixtrans-72.3145.8174.3-64.60000111.6
364P76.4Confident78.8Confident57 Ų5743 Ų4337%0.3726%0.257SS..BIsolated β-bridgetrans-54145.7171.7-26.735.3000112.4W355W355-P364 WeakPolarHBondContact O-CA 3.18Å; W355-P364 VanDerWaalsContact O-CB 3.25Å; W355-P364 WeakPolarHBondContact O-CB 3.43Å
365S82.1Confident78.8Confident13 Ų1344.9 Ų44.99%0.09127%0.266CS..PPolyproline II helixtrans-66.7143.4173.5-177.70000111.6W355 G356 T367W355-S365 PolarHBondContact O-N 2.73Å; G356-S365 PolarHBondContact O-N 3.32Å; S365-T367 WeakPolarHBondContact CB-O 3.38Å; S365-T367 PolarHBondContact OG-N 2.87Å; S365-T367 PolarHBondContact OG-O 2.72Å
366Y82.7Confident78.8Confident142 Ų14245.6 Ų45.656%0.55727%0.271SS*.SBendtrans-76-38.3169.9-65.2-63.7000111.7N287 F288 Q289N287-Y366 CarbonylContact C-O 3.58Å; N287-Y366 WeakPolarHBondContact CA-O 3.35Å; F288-Y366 PolarHBondContact N-O 2.73Å; Q289-Y366 HydrophobicContact CB-CD1 4.16Å; Q289-Y366 HydrophobicContact CB-CG 4.03Å
367T85.5Confident79.1Confident17 Ų1752.4 Ų52.410%0.10430%0.3CS..BIsolated β-bridgetrans-95.6149.6178.853.50000111.5E218 H286 N287 S365 Q369E218-T367 VanDerWaalsContact CD-OG1 3.29Å; E218-T367 WeakPolarHBondContact OE1-CG2 3.17Å; E218-T367 WeakPolarHBondContact OE2-CB 3.42Å; E218-T367 PolarHBondContact OE2-OG1 2.92Å; H286-T367 CarbonylContact O-C 3.5Å; H286-T367 WeakPolarHBondContact O-CA 3.47Å; N287-T367 HydrophobicContact CB-CG2 4.01Å; N287-T367 WeakPolarHBondContact ND2-CG2 3.38Å; S365-T367 WeakPolarHBondContact CB-O 3.38Å; S365-T367 PolarHBondContact OG-N 2.87Å; S365-T367 PolarHBondContact OG-O 2.72Å; T367-Q369 PolarHBondContact O-N 3.31Å; T367-Q369 PolarHBondContact O-NE2 2.86Å; T367-Q369 PolarHBondContact OG1-NE2 3.15Å
368L89.9Confident80Confident4 Ų455.7 Ų55.72%0.02132%0.317CS..PPolyproline II helixtrans-66.6126.5178.4-178.861.4000110.2A219 V224 Q227 H286 G354 W355A219-L368 HydrophobicContact CB-CB 4.24Å; A219-L368 HydrophobicContact CB-CD2 4.17Å; A219-L368 HydrophobicContact CB-CG 4.11Å; A219-L368 PolarHBondContact N-O 3.19Å; V224-L368 HydrophobicContact CB-CD2 3.73Å; V224-L368 HydrophobicContact CG2-CD2 3.84Å; Q227-L368 HydrophobicContact CB-CD2 4.29Å; Q227-L368 HydrophobicContact CG-CD1 3.87Å; Q227-L368 HydrophobicContact CG-CD2 4.28Å; H286-L368 PolarHBondContact O-N 3.32Å; G354-L368 WeakPolarHBondContact O-CD1 3.5Å; W355-L368 HydrophobicContact CD2-CD1 3.93Å; W355-L368 HydrophobicContact CE3-CD1 4.13Å; W355-L368 HydrophobicContact CH2-CD1 3.96Å; W355-L368 HydrophobicContact CZ2-CB 3.89Å; W355-L368 HydrophobicContact CZ2-CD1 3.72Å; W355-L368 HydrophobicContact CZ2-CD2 4.25Å; W355-L368 HydrophobicContact CZ2-CG 4.17Å; W355-L368 HydrophobicContact CZ3-CD1 4.16Å
369Q90.2Very high81.2Confident28 Ų2860.5 Ų60.513%0.13134%0.337CS..EExtended strand (participates in β ladder)trans-103.4151.8177-57.7-59.7-53.600110.6W217 S353 G354 I358 T367W217-Q369 PolarHBondContact O-OE1 3.02Å; S353-Q369 VanDerWaalsContact CA-O 3.23Å; S353-Q369 WeakPolarHBondContact CA-O 3.47Å; S353-Q369 WeakPolarHBondContact CB-O 3.22Å; G354-Q369 PolarHBondContact N-O 3.25Å; G354-Q369 VanDerWaalsContact N-O 3.1Å; G354-Q369 PolarHBondContact O-N 3.2Å; I358-Q369 HydrophobicContact CG1-CG 4.47Å; T367-Q369 PolarHBondContact O-N 3.31Å; T367-Q369 PolarHBondContact O-NE2 2.86Å; T367-Q369 PolarHBondContact OG1-NE2 3.15Å
370V90.6Very high82.6Confident4 Ų459.4 Ų59.42%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-133.4144.3176.5175.80000109F205 G216 W217 A219 V224 Y351 I352F205-V370 HydrophobicContact CZ-CG1 3.83Å; G216-V370 CarbonylContact C-O 3.51Å; G216-V370 WeakPolarHBondContact CA-O 3.35Å; W217-V370 HydrophobicContact CZ2-CG1 4.07Å; W217-V370 PolarHBondContact N-O 3.15Å; W217-V370 PolarHBondContact O-N 2.65Å; A219-V370 HydrophobicContact CB-CG2 3.81Å; V224-V370 HydrophobicContact CG2-CG2 3.92Å; Y351-V370 HydrophobicContact CD1-CG1 3.97Å; Y351-V370 HydrophobicContact CG-CG1 4.42Å; I352-V370 WeakPolarHBondContact O-CA 3.33Å
371V88.8Confident83.9Confident12 Ų1257.1 Ų57.17%0.07331%0.312CS..EExtended strand (participates in β ladder)trans-143.2142.416956.90000111G215 Y351 I352 K401G215-V371 WeakPolarHBondContact O-CG2 3.11Å; Y351-V371 VanDerWaalsContact CA-O 3.31Å; Y351-V371 WeakPolarHBondContact CA-O 3.35Å; I352-V371 HydrophobicContact CD1-CG1 3.37Å; I352-V371 HydrophobicContact CG1-CB 4.48Å; I352-V371 HydrophobicContact CG1-CG1 3.24Å; I352-V371 PolarHBondContact N-O 3.32Å; I352-V371 PolarHBondContact O-N 2.66Å; V371-K401 HydrophobicContact CG2-CB 3.69Å; V371-K401 HydrophobicContact CG2-CD 3.82Å; V371-K401 HydrophobicContact CG2-CG 3.66Å
372D90.4Very high85Confident27 Ų2760.1 Ų60.114%0.14431%0.311CS..EExtended strand (participates in β ladder)trans-75.8140.5172.362.7-70.3000111.6W217 C350 Y351 H396 K401W217-D372 HydrophobicContact CH2-CB 4.19Å; W217-D372 WeakPolarHBondContact CZ3-OD1 3.43Å; C350-D372 WeakPolarHBondContact O-CA 3.31Å; Y351-D372 HydrophobicContact CD1-CB 4.15Å; Y351-D372 HydrophobicContact CE1-CB 4.06Å; D372-H396 PolarHBondContact O-CD2 2.87Å; D372-H396 PolarHBondContact O-NE2 2.94Å; D372-H396 IonicContact OD2-CE1 3.36Å; D372-H396 PolarHBondContact OD2-CE1 3.11Å; D372-H396 VanDerWaalsContact OD2-CE1 3.32Å; D372-H396 IonicContact OD2-NE2 2.66Å; D372-H396 PolarHBondContact OD2-NE2 2.94Å; D372-H396 VanDerWaalsContact OD2-NE2 3.11Å; D372-K401 IonicContact OD1-NZ 3.06Å; D372-K401 PolarHBondContact OD1-NZ 3.3Å; D372-K401 IonicContact OD2-NZ 3.41Å; D372-K401 PolarHBondContact OD2-NZ 3.19Å
373V90.6Very high85.8Confident2 Ų256.5 Ų56.51%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-139.2150.9178.4-660000110.7C350 I352 A394 L412C350-V373 HydrophobicContact CB-CG2 4.25Å; C350-V373 WeakPolarHBondContact CB-O 3.41Å; C350-V373 PolarHBondContact O-N 3.24Å; I352-V373 HydrophobicContact CD1-CG1 4.2Å; I352-V373 HydrophobicContact CG1-CG1 4.16Å; I352-V373 HydrophobicContact CG2-CG2 4.13Å; V373-A394 HydrophobicContact CB-CB 4.3Å; V373-A394 HydrophobicContact CG2-CB 4.08Å; V373-L412 HydrophobicContact CG2-CD1 3.92Å; V373-L412 HydrophobicContact CG2-CG 4.26Å
374N91.8Very high86.3Confident83 Ų8355.6 Ų55.644%0.44428%0.279SS..EExtended strand (participates in β ladder)trans-99.6138171-64.5-48.1000109.7L376 A394 G395N374-L376 PolarHBondContact O-N 3.17Å; N374-A394 CarbonylContact O-C 3.52Å; N374-A394 WeakPolarHBondContact O-CA 3.4Å; N374-A394 WeakPolarHBondContact O-CB 3.26Å; N374-G395 PolarHBondContact N-O 3.39Å; N374-G395 PolarHBondContact O-N 3.05Å
375I93.2Very high86.3Confident43 Ų4360.1 Ų60.122%0.22130%0.295CS..EExtended strand (participates in β ladder)trans-68.3121.5167-65.1172.1000107.5L344 P345 F392L344-I375 HydrophobicContact CB-CD1 4.36Å; L344-I375 HydrophobicContact CB-CG2 4.38Å; L344-I375 HydrophobicContact CD1-CG2 4.07Å; L344-I375 HydrophobicContact CD2-CD1 4.26Å; P345-I375 HydrophobicContact CG-CD1 4.07Å; P345-I375 WeakPolarHBondContact O-CD1 3.16Å; I375-F392 HydrophobicContact CD1-CE2 4.39Å; I375-F392 HydrophobicContact CG1-CD2 4.38Å; I375-F392 HydrophobicContact CG1-CE2 3.98Å; I375-F392 HydrophobicContact CG2-CD2 4.03Å; I375-F392 HydrophobicContact CG2-CE2 4.46Å
376L91.2Very high86Confident24 Ų2464.4 Ų64.413%0.12631%0.314CS..PPolyproline II helixtrans-90.1156.7-175.7-60.3-179.4000111.2N374 D380 C393 K397 P438N374-L376 PolarHBondContact O-N 3.17Å; L376-D380 HydrophobicContact CB-CB 4.34Å; L376-C393 HydrophobicContact CB-CB 4.24Å; L376-C393 HydrophobicContact CD1-CB 4.35Å; L376-C393 PolarHBondContact N-O 3.24Å; L376-K397 HydrophobicContact CD2-CG 4.46Å; L376-P438 HydrophobicContact CD1-CB 3.47Å; L376-P438 VanDerWaalsContact CD1-CB 3.47Å; L376-P438 HydrophobicContact CD1-CG 3.71Å
377K88.8Confident85.8Confident146 Ų14657.8 Ų57.864%0.63529%0.288SS*.PPolyproline II helixtrans-73.3152.2170.1-63.1179.4-177.2177.80109.5E379 D380K377-E379 PolarHBondContact O-N 3.12Å; K377-E379 VanDerWaalsContact O-N 3.16Å; K377-D380 WeakPolarHBondContact O-CA 3.19Å; K377-D380 WeakPolarHBondContact O-CB 3.46Å; K377-D380 PolarHBondContact O-N 2.93Å
378D84Confident85.6Confident77 Ų7761.5 Ų61.541%0.41230%0.3SS..G310 helixtrans-53.2-36.8177.4-66.92.1000113.6D380 C381 R388D378-D380 PolarHBondContact O-N 3.46Å; D378-C381 WeakPolarHBondContact O-CA 3.36Å; D378-C381 WeakPolarHBondContact O-CB 3.38Å; D378-C381 PolarHBondContact O-N 2.94Å; D378-C381 VanDerWaalsContact O-O 3.07Å; D378-R388 WeakPolarHBondContact OD2-CD 3.33Å; D378-R388 IonicContact OD2-CZ 3.64Å; D378-R388 IonicContact OD2-NE 3.69Å; D378-R388 IonicContact OD2-NH1 3.91Å; D378-R388 PolarHBondContact OD2-NH1 3.14Å
379E83.8Confident85.3Confident179 Ų17964.2 Ų64.284%0.83632%0.323SS*.G310 helixtrans-63.8-23.7178.6-62157.6-138.400113K377 C381K377-E379 PolarHBondContact O-N 3.12Å; K377-E379 VanDerWaalsContact O-N 3.16Å; E379-C381 VanDerWaalsContact C-N 3.34Å
380D85.4Confident85.3Confident58 Ų5866.5 Ų66.531%0.3133%0.333SS..G310 helixtrans-93.73.1176.6-60.4-57.3000112L376 K377 D378 K397L376-D380 HydrophobicContact CB-CB 4.34Å; K377-D380 WeakPolarHBondContact O-CA 3.19Å; K377-D380 WeakPolarHBondContact O-CB 3.46Å; K377-D380 PolarHBondContact O-N 2.93Å; D378-D380 PolarHBondContact O-N 3.46Å; D380-K397 WeakPolarHBondContact OD1-CE 3.4Å; D380-K397 IonicContact OD1-NZ 3.65Å; D380-K397 PolarHBondContact OD1-NZ 3.18Å; D380-K397 WeakPolarHBondContact OD2-CE 3.46Å; D380-K397 IonicContact OD2-NZ 3.32Å; D380-K397 PolarHBondContact OD2-NZ 2.7Å
381C83.3Confident85.4Confident11 Ų1166.5 Ų66.57%0.07433%0.333CS..  trans-116.9107.9-174.6-170.40000109.4D378 E379 I383 C393D378-C381 WeakPolarHBondContact O-CA 3.36Å; D378-C381 WeakPolarHBondContact O-CB 3.38Å; D378-C381 PolarHBondContact O-N 2.94Å; D378-C381 VanDerWaalsContact O-O 3.07Å; E379-C381 VanDerWaalsContact C-N 3.34Å; C381-I383 PolarHBondContact O-N 2.97Å; C381-I383 WeakPolarHBondContact SG-CD1 3.08Å; C381-I383 VanDerWaalsContact SG-CG1 3.51Å; C381-C393 HydrophobicContact CB-CB 3.63Å; C381-C393 WeakPolarHBondContact CB-SG 3.31Å; C381-C393 WeakPolarHBondContact SG-CB 3.23Å; C381-C393 CovalentContact SG-SG 2.02Å; C381-C393 PolarHBondContact SG-SG 3.3Å
382D80.5Confident85.6Confident135 Ų13566.1 Ų66.172%0.72233%0.331SS*.  trans-79.964.5179-172.425000111.1K437D382-K437 IonicContact OD2-NZ 3.63Å; D382-K437 PolarHBondContact OD2-NZ 2.85Å
383I80.9Confident85.7Confident27 Ų2765 Ų6514%0.13833%0.325CS..  trans-126.7149.3176.868.3176.7000111.6C381 T387 R388 Y428 V440C381-I383 PolarHBondContact O-N 2.97Å; C381-I383 WeakPolarHBondContact SG-CD1 3.08Å; C381-I383 VanDerWaalsContact SG-CG1 3.51Å; I383-T387 HydrophobicContact CD1-CG2 4.47Å; I383-R388 HydrophobicContact CD1-CB 4.06Å; I383-R388 HydrophobicContact CD1-CG 4.38Å; I383-R388 HydrophobicContact CG1-CB 4.22Å; I383-Y428 WeakPolarHBondContact CG2-OH 3.36Å; I383-V440 HydrophobicContact CG2-CG2 3.74Å
384D82Confident85.7Confident78 Ų7864.9 Ų64.942%0.41732%0.324SS..  trans-66.3153.5178.670.582.7000112.4E386 T387 R388D384-E386 PolarHBondContact O-N 2.87Å; D384-E386 WeakPolarHBondContact OD1-CA 3.36Å; D384-E386 VanDerWaalsContact OD1-CB 3.24Å; D384-E386 WeakPolarHBondContact OD1-CB 3.09Å; D384-E386 PolarHBondContact OD1-N 2.88Å; D384-T387 VanDerWaalsContact CG-OG1 3.29Å; D384-T387 PolarHBondContact O-N 2.79Å; D384-T387 PolarHBondContact OD1-N 2.95Å; D384-T387 PolarHBondContact OD1-OG1 2.96Å; D384-T387 VanDerWaalsContact OD1-OG1 3.12Å; D384-T387 WeakPolarHBondContact OD2-CB 3.27Å; D384-T387 PolarHBondContact OD2-OG1 3.38Å; D384-R388 WeakPolarHBondContact O-CB 3.22Å; D384-R388 PolarHBondContact O-N 3.15Å
385E77.1Confident85.6Confident152 Ų15261 Ų6171%0.7130%0.304SS*.Hα-helixtrans-59.7-31.6-176.2-170.1176.9-162.700113A389E385-A389 PolarHBondContact O-N 2.88Å
386E74.2Confident85.3Confident104 Ų10460.7 Ų60.749%0.48630%0.301SS..Hα-helixtrans-72.8-35-177.6-162.6-166.6140.400112R314 D384R314-E386 WeakPolarHBondContact CD-OE1 3.34Å; R314-E386 VanDerWaalsContact CZ-CG 3.46Å; R314-E386 IonicContact CZ-OE1 2.71Å; R314-E386 PolarHBondContact NE-O 2.05Å; R314-E386 IonicContact NE-OE1 3.51Å; R314-E386 PolarHBondContact NE-OE1 3.31Å; R314-E386 IonicContact NH1-OE1 2.77Å; R314-E386 PolarHBondContact NH1-OE1 3.22Å; D384-E386 PolarHBondContact O-N 2.87Å; D384-E386 WeakPolarHBondContact OD1-CA 3.36Å; D384-E386 VanDerWaalsContact OD1-CB 3.24Å; D384-E386 WeakPolarHBondContact OD1-CB 3.09Å; D384-E386 PolarHBondContact OD1-N 2.88Å
387T78.8Confident84.8Confident2 Ų264.6 Ų64.61%0.01232%0.317CS..Hα-helixtrans-75.5-39.8173.6-60.10000111.6S312 I383 D384 A389 K390 S391 Y428S312-T387 PolarHBondContact O-OG1 3.39Å; I383-T387 HydrophobicContact CD1-CG2 4.47Å; D384-T387 VanDerWaalsContact CG-OG1 3.29Å; D384-T387 PolarHBondContact O-N 2.79Å; D384-T387 PolarHBondContact OD1-N 2.95Å; D384-T387 PolarHBondContact OD1-OG1 2.96Å; D384-T387 VanDerWaalsContact OD1-OG1 3.12Å; D384-T387 WeakPolarHBondContact OD2-CB 3.27Å; D384-T387 PolarHBondContact OD2-OG1 3.38Å; T387-A389 PolarHBondContact O-N 2.72Å; T387-K390 PolarHBondContact O-N 2.92Å; T387-S391 WeakPolarHBondContact O-CB 2.96Å; T387-S391 PolarHBondContact O-N 3.35Å; T387-S391 PolarHBondContact O-OG 3.14Å; T387-Y428 HydrophobicContact CG2-CE1 4.4Å
388R81.9Confident84.4Confident95 Ų9564.4 Ų64.436%0.35832%0.318SS..Hα-helixtrans-58-27.5177.7-167.3172.871.8147.4-15.2113.7D378 I383 D384 K390 S391D378-R388 WeakPolarHBondContact OD2-CD 3.33Å; D378-R388 IonicContact OD2-CZ 3.64Å; D378-R388 IonicContact OD2-NE 3.69Å; D378-R388 IonicContact OD2-NH1 3.91Å; D378-R388 PolarHBondContact OD2-NH1 3.14Å; I383-R388 HydrophobicContact CD1-CB 4.06Å; I383-R388 HydrophobicContact CD1-CG 4.38Å; I383-R388 HydrophobicContact CG1-CB 4.22Å; D384-R388 WeakPolarHBondContact O-CB 3.22Å; D384-R388 PolarHBondContact O-N 3.15Å; R388-K390 PolarHBondContact O-N 3.05Å; R388-K390 VanDerWaalsContact O-N 3.08Å; R388-S391 VanDerWaalsContact O-O 3.09Å
389A84.5Confident84.2Confident61 Ų6161.3 Ų61.350%0.50431%0.305SS..THydrogen-bonded Turntrans-60.9-20-179.900000115E385 T387E385-A389 PolarHBondContact O-N 2.88Å; T387-A389 PolarHBondContact O-N 2.72Å
390K89.8Confident83.8Confident76 Ų7654.3 Ų54.333%0.3328%0.281SS..THydrogen-bonded Turntrans-144.420.3-179.7-61.5-173.7177-176.40113.7L315 T387 R388 E443 Q446 Y447L315-K390 HydrophobicContact CD2-CD 3.5Å; T387-K390 PolarHBondContact O-N 2.92Å; R388-K390 PolarHBondContact O-N 3.05Å; R388-K390 VanDerWaalsContact O-N 3.08Å; K390-E443 PolarHBondContact O-N 3.29Å; K390-Q446 HydrophobicContact CB-CB 4.39Å; K390-Q446 HydrophobicContact CG-CB 4.18Å; K390-Y447 HydrophobicContact CB-CE2 4.12Å; K390-Y447 WeakPolarHBondContact CB-OH 3.41Å; K390-Y447 HydrophobicContact CD-CE1 4.17Å
391S92.5Very high83.4Confident5 Ų554.2 Ų54.24%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-145.9154.5-177.7-34.50000109T387 R388 Y441T387-S391 WeakPolarHBondContact O-CB 2.96Å; T387-S391 PolarHBondContact O-N 3.35Å; T387-S391 PolarHBondContact O-OG 3.14Å; R388-S391 VanDerWaalsContact O-O 3.09Å; S391-Y441 CarbonylContact C-O 3.55Å; S391-Y441 WeakPolarHBondContact CA-O 3.09Å; S391-Y441 WeakPolarHBondContact CB-O 3.4Å
392F93.4Very high82.9Confident4 Ų455 Ų552%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-140.6162.1177.467.1-82.3000110.6L344 I375 A394 L412 Y441 E443L344-F392 HydrophobicContact CD1-CB 3.59Å; L344-F392 HydrophobicContact CD1-CD1 3.91Å; L344-F392 HydrophobicContact CD1-CD2 4.01Å; L344-F392 HydrophobicContact CD1-CG 3.56Å; L344-F392 HydrophobicContact CD2-CD1 3.96Å; L344-F392 HydrophobicContact CD2-CD2 4.46Å; L344-F392 HydrophobicContact CD2-CE1 3.87Å; L344-F392 HydrophobicContact CD2-CE2 4.38Å; L344-F392 HydrophobicContact CD2-CG 4.26Å; L344-F392 HydrophobicContact CD2-CZ 4.08Å; I375-F392 HydrophobicContact CD1-CE2 4.39Å; I375-F392 HydrophobicContact CG1-CD2 4.38Å; I375-F392 HydrophobicContact CG1-CE2 3.98Å; I375-F392 HydrophobicContact CG2-CD2 4.03Å; I375-F392 HydrophobicContact CG2-CE2 4.46Å; F392-A394 HydrophobicContact CE2-CB 4.18Å; F392-L412 HydrophobicContact CE2-CD1 3.97Å; F392-L412 HydrophobicContact CE2-CD2 4.48Å; F392-L412 HydrophobicContact CZ-CD1 4.15Å; F392-L412 HydrophobicContact CZ-CD2 4.27Å; F392-Y441 HydrophobicContact CE2-CD2 4.48Å; F392-Y441 HydrophobicContact CZ-CG 4.44Å; F392-Y441 PolarHBondContact N-O 2.78Å; F392-Y441 PolarHBondContact O-N 3.31Å; F392-E443 HydrophobicContact CD1-CB 3.88Å; F392-E443 HydrophobicContact CD1-CG 4.15Å; F392-E443 HydrophobicContact CE1-CB 4.26Å; F392-E443 HydrophobicContact CE1-CG 4.42Å
393C91.7Very high82.7Confident3 Ų349 Ų492%0.0225%0.251CS..EExtended strand (participates in β ladder)trans-95.7144.1173.4-74.90000111.4L376 C381 P438 G439L376-C393 HydrophobicContact CB-CB 4.24Å; L376-C393 HydrophobicContact CD1-CB 4.35Å; L376-C393 PolarHBondContact N-O 3.24Å; C381-C393 HydrophobicContact CB-CB 3.63Å; C381-C393 WeakPolarHBondContact CB-SG 3.31Å; C381-C393 WeakPolarHBondContact SG-CB 3.23Å; C381-C393 CovalentContact SG-SG 2.02Å; C381-C393 PolarHBondContact SG-SG 3.3Å; C393-P438 HydrophobicContact CB-CB 4.08Å; C393-P438 HydrophobicContact CB-CG 3.79Å; C393-G439 VanDerWaalsContact CA-O 3.31Å; C393-G439 WeakPolarHBondContact CA-O 3.46Å
394A91.8Very high82.5Confident0 Ų048.3 Ų48.30%025%0.248CC..EExtended strand (participates in β ladder)trans-139.9146.5167.200000111.2V373 N374 F392 L412 G439 Y441V373-A394 HydrophobicContact CB-CB 4.3Å; V373-A394 HydrophobicContact CG2-CB 4.08Å; N374-A394 CarbonylContact O-C 3.52Å; N374-A394 WeakPolarHBondContact O-CA 3.4Å; N374-A394 WeakPolarHBondContact O-CB 3.26Å; F392-A394 HydrophobicContact CE2-CB 4.18Å; A394-L412 HydrophobicContact CB-CD1 3.47Å; A394-L412 VanDerWaalsContact CB-CD1 3.47Å; A394-G439 PolarHBondContact N-O 3.41Å; A394-G439 PolarHBondContact O-N 2.83Å; A394-Y441 HydrophobicContact CB-CD2 3.98Å; A394-Y441 HydrophobicContact CB-CE2 3.73Å
395G89.2Confident82Confident1 Ų148.9 Ų48.91%0.0125%0.248CC..EExtended strand (participates in β ladder)trans157.4-163.4-179.100000111.9N374N374-G395 PolarHBondContact N-O 3.39Å; N374-G395 PolarHBondContact O-N 3.05Å
396H85.6Confident81.9Confident37 Ų3742.5 Ų42.517%0.17122%0.223CC..  trans-115.8137.6173-68.1-103.5000108.9D372 E398 G399 K401D372-H396 PolarHBondContact O-CD2 2.87Å; D372-H396 PolarHBondContact O-NE2 2.94Å; D372-H396 IonicContact OD2-CE1 3.36Å; D372-H396 PolarHBondContact OD2-CE1 3.11Å; D372-H396 VanDerWaalsContact OD2-CE1 3.32Å; D372-H396 IonicContact OD2-NE2 2.66Å; D372-H396 PolarHBondContact OD2-NE2 2.94Å; D372-H396 VanDerWaalsContact OD2-NE2 3.11Å; H396-E398 PolarHBondContact O-N 3.45Å; H396-G399 PolarHBondContact O-N 2.99Å; H396-K401 WeakPolarHBondContact CD2-CD 2.91Å; H396-K401 VanDerWaalsContact NE2-CD 3.33Å; H396-K401 WeakPolarHBondContact NE2-CD 3.17Å
397K80.9Confident82.4Confident105 Ų10538.5 Ų38.546%0.45721%0.205SC..THydrogen-bonded Turntrans-64.9-28.5-174.5-65.6-169.2-175.5-164.40112L376 D380 G399 R435 G436L376-K397 HydrophobicContact CD2-CG 4.46Å; D380-K397 WeakPolarHBondContact OD1-CE 3.4Å; D380-K397 IonicContact OD1-NZ 3.65Å; D380-K397 PolarHBondContact OD1-NZ 3.18Å; D380-K397 WeakPolarHBondContact OD2-CE 3.46Å; D380-K397 IonicContact OD2-NZ 3.32Å; D380-K397 PolarHBondContact OD2-NZ 2.7Å; K397-G399 PolarHBondContact O-N 3.16Å; K397-R435 VanDerWaalsContact O-CG 3.27Å; K397-R435 WeakPolarHBondContact O-CG 3.13Å; K397-G436 PolarHBondContact O-N 3.16Å
398E81.8Confident83Confident142 Ų14239.7 Ų39.766%0.66421%0.214SC*.THydrogen-bonded Turntrans-69.5-17.1176.1-57.873.2-156.900112.2H396H396-E398 PolarHBondContact O-N 3.45Å
399G80Confident83.6Confident12 Ų1235.2 Ų35.212%0.12420%0.196CC..  trans79.7-157.8-170.100000112H396 K397 K401 G433H396-G399 PolarHBondContact O-N 2.99Å; K397-G399 PolarHBondContact O-N 3.16Å; G399-K401 PolarHBondContact O-N 2.87Å; G399-K401 VanDerWaalsContact O-N 3.12Å; G399-G433 WeakPolarHBondContact CA-O 3.46Å
400G75.5Confident84.2Confident32 Ų3232.3 Ų32.333%0.3317%0.172SC..SBendtrans77-16.8178.600000115.6G215 G433G215-G400 WeakPolarHBondContact CA-O 3.45Å; G215-G400 PolarHBondContact N-O 3.03Å; G400-G433 PolarHBondContact N-O 3.29Å
401K75.4Confident84.5Confident57 Ų5728.7 Ų28.725%0.24816%0.157CC..  trans-127.9112.3-178.7-71.1-173.8176.5-166.80110.5G215 V371 D372 H396 G399G215-K401 VanDerWaalsContact O-CE 3.23Å; G215-K401 WeakPolarHBondContact O-CE 3.34Å; G215-K401 WeakPolarHBondContact O-CG 3.27Å; V371-K401 HydrophobicContact CG2-CB 3.69Å; V371-K401 HydrophobicContact CG2-CD 3.82Å; V371-K401 HydrophobicContact CG2-CG 3.66Å; D372-K401 IonicContact OD1-NZ 3.06Å; D372-K401 PolarHBondContact OD1-NZ 3.3Å; D372-K401 IonicContact OD2-NZ 3.41Å; D372-K401 PolarHBondContact OD2-NZ 3.19Å; H396-K401 WeakPolarHBondContact CD2-CD 2.91Å; H396-K401 VanDerWaalsContact NE2-CD 3.33Å; H396-K401 WeakPolarHBondContact NE2-CD 3.17Å; G399-K401 PolarHBondContact O-N 2.87Å; G399-K401 VanDerWaalsContact O-N 3.12Å
402D74.5Confident84.8Confident26 Ų2628.4 Ų28.414%0.13916%0.155CC..  trans-162.8162.6-176.7-158.86.2000112.6I352 C432 G433I352-D402 VanDerWaalsContact CD1-C 3.5Å; D402-C432 WeakPolarHBondContact OD2-CA 3.05Å; D402-G433 PolarHBondContact OD2-N 2.86Å
403A74.3Confident84.9Confident11 Ų1128.3 Ų28.39%0.09116%0.155CC..  trans-78.3150.8164.700000109.4I352 D407 T426I352-A403 HydrophobicContact CD1-CB 3.66Å; A403-D407 HydrophobicContact CB-CB 4.05Å; A403-T426 HydrophobicContact CB-CG2 3.68Å
404C77.4Confident85.2Confident12 Ų1228.2 Ų28.28%0.08115%0.154CC..  trans-136.9-168.9-177.4-157.80000113.2S357 G406 D407 C432S357-C404 WeakPolarHBondContact O-CB 3.46Å; S357-C404 PolarHBondContact O-SG 3.04Å; C404-G406 PolarHBondContact O-N 2.88Å; C404-G406 VanDerWaalsContact O-N 3.11Å; C404-D407 PolarHBondContact N-OD2 2.94Å; C404-D407 WeakPolarHBondContact O-CB 3.43Å; C404-D407 PolarHBondContact O-N 3.42Å; C404-C432 WeakPolarHBondContact CA-SG 3.5Å; C404-C432 HydrophobicContact CB-CB 3.71Å; C404-C432 WeakPolarHBondContact CB-SG 3.27Å; C404-C432 WeakPolarHBondContact SG-CB 3.45Å; C404-C432 CovalentContact SG-SG 2.04Å; C404-C432 PolarHBondContact SG-SG 3.45Å
405Q71.2Confident85.3Confident90 Ų9028.9 Ų28.942%0.42116%0.157SC..THydrogen-bonded Turntrans-59.8118.2-176.3-72.481.836.300110.9G356 S357 S360G356-Q405 CarbonylContact C-O 3.57Å; G356-Q405 WeakPolarHBondContact CA-O 3.29Å; S357-Q405 PolarHBondContact N-O 2.85Å; S357-Q405 PolarHBondContact OG-O 2.89Å; S360-Q405 PolarHBondContact OG-NE2 3.17Å; S360-Q405 PolarHBondContact OG-OE1 3.41Å
406G75.4Confident85.5Confident18 Ų1830.2 Ų30.219%0.18617%0.165CC..THydrogen-bonded Turntrans108.6-18.2-176.300000114C404C404-G406 PolarHBondContact O-N 2.88Å; C404-G406 VanDerWaalsContact O-N 3.11Å
407D85.5Confident85.7Confident19 Ų1935 Ų3510%0.10219%0.192CC..  trans-87-8.9176.2-57.9-44.2000113G354 W355 G356 A403 C404 G409 G410 T426G354-D407 VanDerWaalsContact C-OD1 3.29Å; G354-D407 WeakPolarHBondContact CA-OD1 3.35Å; W355-D407 PolarHBondContact N-OD1 2.94Å; G356-D407 VanDerWaalsContact CA-OD1 3.26Å; G356-D407 WeakPolarHBondContact CA-OD1 3.44Å; G356-D407 PolarHBondContact N-OD1 2.8Å; A403-D407 HydrophobicContact CB-CB 4.05Å; C404-D407 PolarHBondContact N-OD2 2.94Å; C404-D407 WeakPolarHBondContact O-CB 3.43Å; C404-D407 PolarHBondContact O-N 3.42Å; D407-G409 PolarHBondContact O-N 3.35Å; D407-G410 WeakPolarHBondContact O-CA 3.29Å; D407-G410 PolarHBondContact O-N 3.05Å; D407-T426 WeakPolarHBondContact O-CB 3.5Å; D407-T426 PolarHBondContact O-OG1 3.19Å
408S90.6Very high86Confident28 Ų2836.1 Ų36.120%0.19620%0.203CC..THydrogen-bonded Turntrans-45.8132.1173-82.10000112.1C242 G243 H263 C264 G410C242-S408 CarbonylContact C-O 3.58Å; C242-S408 WeakPolarHBondContact CA-O 3.02Å; C242-S408 WeakPolarHBondContact CB-O 3.39Å; C242-S408 PolarHBondContact SG-O 3.27Å; G243-S408 PolarHBondContact N-O 3.45Å; H263-S408 PolarHBondContact CE1-OG 2.8Å; H263-S408 WeakPolarHBondContact NE2-CB 3.42Å; H263-S408 PolarHBondContact NE2-OG 3.07Å; C264-S408 PolarHBondContact SG-O 3.37Å; S408-G410 PolarHBondContact O-N 2.75Å
409G95.3Very high86.6Confident0 Ų031.9 Ų31.90%018%0.181CC..THydrogen-bonded Turntrans77.3-7.4-175.400000114.9G243 G244 T260 D407 T426G243-G409 VanDerWaalsContact C-C 3.47Å; G243-G409 CarbonylContact C-O 3.45Å; G243-G409 CarbonylContact O-C 3.5Å; G243-G409 VanDerWaalsContact O-C 3.29Å; G244-G409 WeakPolarHBondContact CA-O 3.09Å; T260-G409 WeakPolarHBondContact OG1-CA 3.13Å; D407-G409 PolarHBondContact O-N 3.35Å; G409-T426 PolarHBondContact N-O 2.65Å
410G95.9Very high87.3Confident0 Ų031.8 Ų31.80%018%0.177CC..  trans-67.1164.3174.500000113.1D407 S408 I425 T426D407-G410 WeakPolarHBondContact O-CA 3.29Å; D407-G410 PolarHBondContact O-N 3.05Å; S408-G410 PolarHBondContact O-N 2.75Å; G410-I425 WeakPolarHBondContact O-CA 3.41Å; G410-T426 PolarHBondContact O-N 2.9Å; G410-T426 PolarHBondContact O-OG1 3.23Å
411P97.5Very high88.4Confident0 Ų031.3 Ų31.30%017%0.166CC..EExtended strand (participates in β ladder)trans-77.7141.1-177.629.2-32.2000113Q227 S245 I352 S353 V413 L422Q227-P411 VanDerWaalsContact OE1-CG 3.24Å; S245-P411 WeakPolarHBondContact OG-CB 3.33Å; I352-P411 WeakPolarHBondContact CA-O 3.2Å; S353-P411 WeakPolarHBondContact OG-CG 3.43Å; P411-V413 HydrophobicContact CB-CG1 4Å; P411-L422 HydrophobicContact CB-CD1 3.47Å; P411-L422 VanDerWaalsContact CB-CD1 3.47Å
412L97Very high89.5Confident0 Ų028.6 Ų28.60%015%0.154CC..EExtended strand (participates in β ladder)trans-105.4111.2148.5-174.3160.5000107.9C350 Y351 I352 V373 F392 A394 Y423 G424 Y441C350-L412 HydrophobicContact CB-CD2 4.02Å; Y351-L412 WeakPolarHBondContact O-CA 3.44Å; I352-L412 HydrophobicContact CG2-CB 3.79Å; I352-L412 HydrophobicContact CG2-CD1 4.01Å; I352-L412 HydrophobicContact CG2-CG 3.82Å; V373-L412 HydrophobicContact CG2-CD1 3.92Å; V373-L412 HydrophobicContact CG2-CG 4.26Å; F392-L412 HydrophobicContact CE2-CD1 3.97Å; F392-L412 HydrophobicContact CE2-CD2 4.48Å; F392-L412 HydrophobicContact CZ-CD1 4.15Å; F392-L412 HydrophobicContact CZ-CD2 4.27Å; A394-L412 HydrophobicContact CB-CD1 3.47Å; A394-L412 VanDerWaalsContact CB-CD1 3.47Å; L412-Y423 PolarHBondContact O-N 3.11Å; L412-G424 PolarHBondContact N-O 3.12Å; L412-G424 PolarHBondContact O-N 2.66Å; L412-G424 VanDerWaalsContact O-N 3.14Å; L412-Y441 HydrophobicContact CB-CD1 3.85Å; L412-Y441 HydrophobicContact CB-CE1 4.06Å; L412-Y441 HydrophobicContact CD1-CD1 3.86Å; L412-Y441 HydrophobicContact CD1-CD2 3.92Å; L412-Y441 HydrophobicContact CD1-CE1 3.88Å; L412-Y441 HydrophobicContact CD1-CE2 3.96Å; L412-Y441 HydrophobicContact CD1-CG 3.9Å
413V97.6Very high90.6Very high2 Ų227.4 Ų27.41%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-105.6142179.2-64.60000111.5W226 V335 C350 Y351 P411 F420 F421 L422W226-V413 HydrophobicContact CZ2-CG1 4.31Å; W226-V413 HydrophobicContact CZ2-CG2 4.22Å; V335-V413 HydrophobicContact CG2-CG1 3.67Å; C350-V413 CarbonylContact C-O 3.59Å; C350-V413 WeakPolarHBondContact CA-O 3.3Å; Y351-V413 PolarHBondContact N-O 3.33Å; Y351-V413 PolarHBondContact O-N 3.14Å; P411-V413 HydrophobicContact CB-CG1 4Å; V413-F420 HydrophobicContact CB-CB 4.46Å; V413-F420 HydrophobicContact CB-CD1 4.09Å; V413-F420 HydrophobicContact CG2-CD1 3.68Å; V413-F420 HydrophobicContact CG2-CE1 4.27Å; V413-F421 CarbonylContact C-O 3.59Å; V413-F421 WeakPolarHBondContact CA-O 3.42Å; V413-L422 HydrophobicContact CG1-CD1 4.43Å
414C96.8Very high91.7Very high0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-121.6148.1172-56.70000110.5P345 V348 P349 C350 F421 Y423P345-C414 HydrophobicContact CG-CB 4.06Å; V348-C414 HydrophobicContact CG2-CB 3.94Å; P349-C414 WeakPolarHBondContact O-CA 3.32Å; C350-C414 HydrophobicContact CB-CB 4.1Å; C350-C414 WeakPolarHBondContact CB-SG 3.33Å; C350-C414 WeakPolarHBondContact SG-CB 3.41Å; C350-C414 CovalentContact SG-SG 2.05Å; C350-C414 PolarHBondContact SG-SG 2.05Å; C414-F421 PolarHBondContact N-O 2.91Å; C414-F421 PolarHBondContact O-N 3.31Å; C414-Y423 HydrophobicContact CB-CD2 3.74Å; C414-Y423 HydrophobicContact CB-CE2 4.04Å
415I94.5Very high92.6Very high15 Ų1526.3 Ų26.38%0.07714%0.14CC..EExtended strand (participates in β ladder)trans-88.8111.6177.4-55.1177.3000108.8P349 Y351 R419 F420P349-I415 HydrophobicContact CB-CD1 4.43Å; P349-I415 PolarHBondContact O-N 3.05Å; Y351-I415 HydrophobicContact CE2-CD1 3.82Å; Y351-I415 HydrophobicContact CE2-CG1 4.23Å; I415-R419 CarbonylContact C-O 3.6Å; I415-R419 WeakPolarHBondContact CA-O 3.43Å; I415-F420 HydrophobicContact CD1-CE1 3.84Å; I415-F420 HydrophobicContact CD1-CE2 4.43Å; I415-F420 HydrophobicContact CD1-CZ 3.74Å; I415-F420 HydrophobicContact CG1-CD1 3.9Å; I415-F420 HydrophobicContact CG1-CE1 3.59Å; I415-F420 HydrophobicContact CG1-CE2 4.41Å; I415-F420 HydrophobicContact CG1-CG 4.45Å; I415-F420 HydrophobicContact CG1-CZ 3.88Å
416V93.4Very high93.7Very high29 Ų2922.6 Ų22.618%0.17612%0.123CC..EExtended strand (participates in β ladder)trans-126.6123.2177.3-178.20000108.1P345 D418 R419 F421 Y423P345-V416 HydrophobicContact CB-CG2 4.19Å; P345-V416 HydrophobicContact CG-CG2 4.38Å; V416-D418 VanDerWaalsContact C-N 3.3Å; V416-D418 PolarHBondContact O-N 2.97Å; V416-R419 PolarHBondContact N-O 3.27Å; V416-R419 PolarHBondContact O-N 2.91Å; V416-R419 VanDerWaalsContact O-N 3.11Å; V416-F421 HydrophobicContact CB-CD2 3.95Å; V416-F421 HydrophobicContact CB-CE2 4.24Å; V416-Y423 HydrophobicContact CG2-CE2 3.95Å
417N89.3Confident94.4Very high138 Ų13821.9 Ų21.974%0.73812%0.115SC*.THydrogen-bonded Turntrans49.849.8-175.2-55.3-33.5000112.4R419N417-R419 PolarHBondContact O-N 2.9Å; N417-R419 VanDerWaalsContact O-N 3.12Å
418D87.3Confident94.4Very high127 Ų12724.3 Ų24.368%0.67912%0.123SC*.THydrogen-bonded Turntrans58.319.6-179-64-52.5000116.1V416V416-D418 VanDerWaalsContact C-N 3.3Å; V416-D418 PolarHBondContact O-N 2.97Å
419R93.4Very high93.8Very high53 Ų5324.9 Ų24.920%0.213%0.134CC..EExtended strand (participates in β ladder)trans-124.2148.9174.6-66.7-178.5-175.3-109.40.3112.1E197 C198 L200 I415 V416 N417 F421E197-R419 IonicContact OE1-NH2 3.7Å; E197-R419 IonicContact OE2-CZ 3.71Å; E197-R419 IonicContact OE2-NH1 2.73Å; E197-R419 PolarHBondContact OE2-NH1 3.24Å; E197-R419 IonicContact OE2-NH2 2.6Å; E197-R419 PolarHBondContact OE2-NH2 3.33Å; C198-R419 PolarHBondContact O-NH1 3.03Å; L200-R419 HydrophobicContact CD2-CG 3.9Å; L200-R419 HydrophobicContact CG-CG 4.22Å; I415-R419 CarbonylContact C-O 3.6Å; I415-R419 WeakPolarHBondContact CA-O 3.43Å; V416-R419 PolarHBondContact N-O 3.27Å; V416-R419 PolarHBondContact O-N 2.91Å; V416-R419 VanDerWaalsContact O-N 3.11Å; N417-R419 PolarHBondContact O-N 2.9Å; N417-R419 VanDerWaalsContact O-N 3.12Å; R419-F421 HydrophobicContact CB-CD2 4.25Å; R419-F421 HydrophobicContact CB-CE2 3.76Å
420F96.6Very high92.7Very high11 Ų1130.4 Ų30.45%0.04816%0.16CC..EExtended strand (participates in β ladder)trans-85.2121175.2-70.2-94.4000111.7G199 P201 F205 W226 V335 C336 Y351 V413 I415G199-F420 WeakPolarHBondContact CA-O 3.35Å; G199-F420 WeakPolarHBondContact O-CD2 3.08Å; G199-F420 PolarHBondContact O-N 2.83Å; P201-F420 HydrophobicContact CG-CD2 4.34Å; P201-F420 HydrophobicContact CG-CE2 4Å; F205-F420 HydrophobicContact CB-CZ 4.07Å; F205-F420 HydrophobicContact CD1-CE1 4.25Å; F205-F420 AromaticContact CD1-CZ 3.8Å; F205-F420 HydrophobicContact CD1-CZ 3.8Å; F205-F420 HydrophobicContact CD2-CE1 4.26Å; F205-F420 AromaticContact CD2-CZ 3.94Å; F205-F420 HydrophobicContact CD2-CZ 3.94Å; F205-F420 HydrophobicContact CE1-CE1 4.17Å; F205-F420 HydrophobicContact CE1-CZ 4.19Å; F205-F420 HydrophobicContact CE2-CE1 4.16Å; F205-F420 HydrophobicContact CE2-CZ 4.31Å; F205-F420 HydrophobicContact CG-CE1 4.3Å; F205-F420 HydrophobicContact CG-CE2 4.5Å; F205-F420 AromaticContact CG-CZ 3.67Å; F205-F420 HydrophobicContact CG-CZ 3.67Å; F205-F420 HydrophobicContact CZ-CE1 4.12Å; F205-F420 HydrophobicContact CZ-CZ 4.42Å; W226-F420 HydrophobicContact CH2-CB 3.5Å; W226-F420 VanDerWaalsContact CH2-CB 3.5Å; W226-F420 AromaticContact CH2-CD1 3.86Å; W226-F420 HydrophobicContact CH2-CD1 3.86Å; W226-F420 AromaticContact CH2-CD2 3.57Å; W226-F420 HydrophobicContact CH2-CD2 3.57Å; W226-F420 HydrophobicContact CH2-CE1 4.43Å; W226-F420 HydrophobicContact CH2-CE2 4.19Å; W226-F420 AromaticContact CH2-CG 3.36Å; W226-F420 HydrophobicContact CH2-CG 3.36Å; W226-F420 HydrophobicContact CZ2-CB 3.88Å; W226-F420 AromaticContact CZ2-CD1 3.86Å; W226-F420 HydrophobicContact CZ2-CD1 3.86Å; W226-F420 HydrophobicContact CZ2-CD2 4.4Å; W226-F420 HydrophobicContact CZ2-CE1 4.46Å; W226-F420 AromaticContact CZ2-CG 3.8Å; W226-F420 HydrophobicContact CZ2-CG 3.8Å; W226-F420 HydrophobicContact CZ3-CB 4.06Å; W226-F420 HydrophobicContact CZ3-CD2 4.32Å; W226-F420 HydrophobicContact CZ3-CG 4.27Å; V335-F420 WeakPolarHBondContact CG2-O 3.5Å; C336-F420 WeakPolarHBondContact CB-O 3.12Å; C336-F420 PolarHBondContact N-O 2.92Å; C336-F420 VanDerWaalsContact N-O 3.15Å; Y351-F420 HydrophobicContact CD2-CE1 4.24Å; V413-F420 HydrophobicContact CB-CB 4.46Å; V413-F420 HydrophobicContact CB-CD1 4.09Å; V413-F420 HydrophobicContact CG2-CD1 3.68Å; V413-F420 HydrophobicContact CG2-CE1 4.27Å; I415-F420 HydrophobicContact CD1-CE1 3.84Å; I415-F420 HydrophobicContact CD1-CE2 4.43Å; I415-F420 HydrophobicContact CD1-CZ 3.74Å; I415-F420 HydrophobicContact CG1-CD1 3.9Å; I415-F420 HydrophobicContact CG1-CE1 3.59Å; I415-F420 HydrophobicContact CG1-CE2 4.41Å; I415-F420 HydrophobicContact CG1-CG 4.45Å; I415-F420 HydrophobicContact CG1-CZ 3.88Å
421F97.9Very high91.2Very high21 Ų2131.7 Ų31.79%0.09217%0.173CC..EExtended strand (participates in β ladder)trans-115136.3176.5-75.9-95.4000111.4C336 V413 C414 V416 R419 Y423 Y470C336-F421 HydrophobicContact CB-CD1 3.42Å; C336-F421 VanDerWaalsContact CB-CD1 3.42Å; C336-F421 HydrophobicContact CB-CD2 4.33Å; C336-F421 HydrophobicContact CB-CE1 3.47Å; C336-F421 VanDerWaalsContact CB-CE1 3.47Å; C336-F421 HydrophobicContact CB-CE2 4.39Å; C336-F421 HydrophobicContact CB-CG 3.87Å; C336-F421 HydrophobicContact CB-CZ 3.98Å; C336-F421 CarbonylContact O-C 3.54Å; C336-F421 WeakPolarHBondContact O-CA 3.4Å; V413-F421 CarbonylContact C-O 3.59Å; V413-F421 WeakPolarHBondContact CA-O 3.42Å; C414-F421 PolarHBondContact N-O 2.91Å; C414-F421 PolarHBondContact O-N 3.31Å; V416-F421 HydrophobicContact CB-CD2 3.95Å; V416-F421 HydrophobicContact CB-CE2 4.24Å; R419-F421 HydrophobicContact CB-CD2 4.25Å; R419-F421 HydrophobicContact CB-CE2 3.76Å; F421-Y423 HydrophobicContact CB-CD2 3.96Å; F421-Y423 HydrophobicContact CB-CE2 3.54Å; F421-Y423 HydrophobicContact CG-CE2 4.45Å; F421-Y423 PolarHBondContact O-N 3.27Å; F421-Y470 HydrophobicContact CZ-CE1 4.32Å
422L98.2Very high90.1Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-8295.8177.6-177.469.9000110.7V247 L259 V335 C336 L337 P338 P411 V413 G424 V444V247-L422 HydrophobicContact CG1-CD2 4.33Å; L259-L422 HydrophobicContact CB-CD2 4.44Å; L259-L422 HydrophobicContact CD1-CD2 3.99Å; V335-L422 HydrophobicContact CB-CB 4.46Å; V335-L422 HydrophobicContact CG1-CB 3.7Å; V335-L422 HydrophobicContact CG1-CD2 4.07Å; V335-L422 HydrophobicContact CG1-CG 4.32Å; V335-L422 HydrophobicContact CG2-CB 3.9Å; C336-L422 PolarHBondContact O-N 3.32Å; L337-L422 HydrophobicContact CD2-CD2 4.21Å; P338-L422 WeakPolarHBondContact CD-O 3.42Å; P411-L422 HydrophobicContact CB-CD1 3.47Å; P411-L422 VanDerWaalsContact CB-CD1 3.47Å; V413-L422 HydrophobicContact CG1-CD1 4.43Å; L422-G424 WeakPolarHBondContact CD1-O 3.16Å; L422-V444 HydrophobicContact CD2-CG2 4.34Å; L422-V444 HydrophobicContact CG-CG2 4.12Å; L422-V444 VanDerWaalsContact O-CB 3.31Å; L422-V444 WeakPolarHBondContact O-CB 3.27Å; L422-V444 WeakPolarHBondContact O-CG1 3.43Å
423Y97.8Very high88.6Confident1 Ų134 Ų340%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-91.3-31.1177.8-79-82.7000113.1P338 E342 L344 P345 L412 C414 V416 F421 V444P338-Y423 HydrophobicContact CB-CD1 4.08Å; P338-Y423 HydrophobicContact CB-CE1 3.69Å; P338-Y423 HydrophobicContact CG-CD1 4.32Å; P338-Y423 HydrophobicContact CG-CE1 4.43Å; E342-Y423 PolarHBondContact OE1-OH 2.83Å; L344-Y423 HydrophobicContact CD2-CD1 4.1Å; P345-Y423 HydrophobicContact CG-CD2 4.04Å; P345-Y423 HydrophobicContact CG-CE1 4.27Å; P345-Y423 HydrophobicContact CG-CE2 3.72Å; P345-Y423 HydrophobicContact CG-CG 4.41Å; L412-Y423 PolarHBondContact O-N 3.11Å; C414-Y423 HydrophobicContact CB-CD2 3.74Å; C414-Y423 HydrophobicContact CB-CE2 4.04Å; V416-Y423 HydrophobicContact CG2-CE2 3.95Å; F421-Y423 HydrophobicContact CB-CD2 3.96Å; F421-Y423 HydrophobicContact CB-CE2 3.54Å; F421-Y423 HydrophobicContact CG-CE2 4.45Å; F421-Y423 PolarHBondContact O-N 3.27Å; Y423-V444 PolarHBondContact O-N 3.48Å
424G96.5Very high87.5Confident0 Ų038.8 Ų38.80%021%0.214CC..EExtended strand (participates in β ladder)trans-126.9150.8-177.300000113.5L412 L422 S442L412-G424 PolarHBondContact N-O 3.12Å; L412-G424 PolarHBondContact O-N 2.66Å; L412-G424 VanDerWaalsContact O-N 3.14Å; L422-G424 WeakPolarHBondContact CD1-O 3.16Å; G424-S442 WeakPolarHBondContact CA-O 3.1Å
425I96.4Very high86.7Confident0 Ų048.9 Ų48.90%025%0.253CS..EExtended strand (participates in β ladder)trans-117.7124.6165.5-65.5171.2000107.1L259 A261 I317 G410 S427 Y441 S442 V444L259-I425 HydrophobicContact CB-CD1 4.24Å; A261-I425 HydrophobicContact CB-CG2 4.13Å; I317-I425 HydrophobicContact CD1-CD1 3.65Å; I317-I425 HydrophobicContact CG1-CD1 3.64Å; G410-I425 WeakPolarHBondContact O-CA 3.41Å; I425-S427 PolarHBondContact O-N 2.9Å; I425-S427 VanDerWaalsContact O-N 3.16Å; I425-Y441 CarbonylContact O-C 3.52Å; I425-Y441 VanDerWaalsContact O-CA 3.26Å; I425-Y441 WeakPolarHBondContact O-CA 3.49Å; I425-S442 PolarHBondContact N-O 3.18Å; I425-S442 PolarHBondContact O-N 3.14Å; I425-V444 HydrophobicContact CD1-CG2 3.97Å; I425-V444 HydrophobicContact CG1-CG2 3.79Å
426T94.4Very high86Confident12 Ų1250.4 Ų50.47%0.07427%0.272CS..EExtended strand (participates in β ladder)trans-56.9117.9-179-53.20000110.5A403 D407 G409 G410 Y441A403-T426 HydrophobicContact CB-CG2 3.68Å; D407-T426 WeakPolarHBondContact O-CB 3.5Å; D407-T426 PolarHBondContact O-OG1 3.19Å; G409-T426 PolarHBondContact N-O 2.65Å; G410-T426 PolarHBondContact O-N 2.9Å; G410-T426 PolarHBondContact O-OG1 3.23Å; T426-Y441 HydrophobicContact CG2-CE1 4.31Å; T426-Y441 WeakPolarHBondContact OG1-CE1 3.31Å
427S90.4Very high85.4Confident3 Ų351.6 Ų51.62%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-108.4-66.5-173.6-174.10000111.6H263 D316 I425 V440H263-S427 PolarHBondContact CE1-O 2.9Å; D316-S427 WeakPolarHBondContact CB-OG 3.47Å; D316-S427 PolarHBondContact OD2-OG 2.02Å; I425-S427 PolarHBondContact O-N 2.9Å; I425-S427 VanDerWaalsContact O-N 3.16Å; S427-V440 VanDerWaalsContact CB-O 3.29Å; S427-V440 WeakPolarHBondContact CB-O 3.32Å; S427-V440 PolarHBondContact N-O 2.85Å
428Y85.7Confident85.3Confident70 Ų7046.1 Ų46.128%0.27525%0.246SC..EExtended strand (participates in β ladder)trans-156.5168.4178.768.4-86.8000111.6K313 I383 T387 V440K313-Y428 HydrophobicContact CB-CD1 3.64Å; K313-Y428 HydrophobicContact CB-CE1 3.66Å; K313-Y428 HydrophobicContact CG-CD1 3.93Å; K313-Y428 HydrophobicContact CG-CE1 4.19Å; K313-Y428 HydrophobicContact CG-CG 4.32Å; I383-Y428 WeakPolarHBondContact CG2-OH 3.36Å; T387-Y428 HydrophobicContact CG2-CE1 4.4Å; Y428-V440 HydrophobicContact CD1-CB 4.13Å; Y428-V440 HydrophobicContact CD1-CG1 4.29Å; Y428-V440 HydrophobicContact CD2-CB 4.39Å; Y428-V440 HydrophobicContact CD2-CG2 4.29Å; Y428-V440 HydrophobicContact CE1-CB 3.83Å; Y428-V440 HydrophobicContact CE1-CG1 3.63Å; Y428-V440 HydrophobicContact CE1-CG2 4.27Å; Y428-V440 HydrophobicContact CE2-CB 4.12Å; Y428-V440 HydrophobicContact CE2-CG2 3.74Å; Y428-V440 HydrophobicContact CG-CB 4.39Å; Y428-V440 PolarHBondContact N-O 2.95Å; Y428-V440 WeakPolarHBondContact O-CB 3.13Å; Y428-V440 PolarHBondContact O-N 2.97Å
429G77.9Confident85.4Confident41 Ų4140.2 Ų40.242%0.42322%0.215SC..  trans-158.4163.2173.500000110.2
430E71.8Confident85.3Confident116 Ų11637.9 Ų37.954%0.54221%0.207SC..SBendtrans-98.999.1173.8-170.4179.7170.100109.5K437E430-K437 HydrophobicContact CB-CD 4.23Å; E430-K437 WeakPolarHBondContact OE2-CD 3.09Å; E430-K437 WeakPolarHBondContact OE2-CE 3.45Å; E430-K437 IonicContact OE2-NZ 2.89Å; E430-K437 PolarHBondContact OE2-NZ 3.18Å
431G66Low85.2Confident26 Ų2637.4 Ų37.427%0.26821%0.205SC..SBendtrans71.8-164-166.600000111.7
432C72.8Confident85Confident27 Ų2736.4 Ų36.418%0.18220%0.201CC..SBendtrans-131.8126.5173.6-51.10000108.7D402 C404 Q434D402-C432 WeakPolarHBondContact OD2-CA 3.05Å; C404-C432 WeakPolarHBondContact CA-SG 3.5Å; C404-C432 HydrophobicContact CB-CB 3.71Å; C404-C432 WeakPolarHBondContact CB-SG 3.27Å; C404-C432 WeakPolarHBondContact SG-CB 3.45Å; C404-C432 CovalentContact SG-SG 2.04Å; C404-C432 PolarHBondContact SG-SG 3.45Å; C432-Q434 PolarHBondContact O-N 2.95Å
433G66Low84.8Confident22 Ų2237.4 Ų37.423%0.22721%0.205CC..SBendtrans68.92117300000114.1G399 G400 D402G399-G433 WeakPolarHBondContact CA-O 3.46Å; G400-G433 PolarHBondContact N-O 3.29Å; D402-G433 PolarHBondContact OD2-N 2.86Å
434Q74.2Confident84.8Confident102 Ų10237.4 Ų37.448%0.47721%0.205SC..  trans-77.5140.9176.7-68.3-174.417.200110.8C432 G436 K437C432-Q434 PolarHBondContact O-N 2.95Å; Q434-G436 PolarHBondContact O-N 2.96Å; Q434-K437 HydrophobicContact CB-CB 3.99Å; Q434-K437 HydrophobicContact CB-CG 4.34Å; Q434-K437 PolarHBondContact O-N 3.48Å; Q434-K437 VanDerWaalsContact O-N 3.14Å
435R79.8Confident84.7Confident213 Ų21337.4 Ų37.480%0.80421%0.205SC*.THydrogen-bonded Turntrans-59.3128.5177.1-173.2-178.1177176.8-0.9110.2K397 K437K397-R435 VanDerWaalsContact O-CG 3.27Å; K397-R435 WeakPolarHBondContact O-CG 3.13Å; R435-K437 PolarHBondContact O-N 3.35Å
436G79.4Confident84.6Confident46 Ų4640.5 Ų40.547%0.47422%0.22SC..THydrogen-bonded Turntrans71.610.2179.500000115.3K397 Q434 P438K397-G436 PolarHBondContact O-N 3.16Å; Q434-G436 PolarHBondContact O-N 2.96Å; G436-P438 VanDerWaalsContact C-CD 3.48Å; G436-P438 WeakPolarHBondContact O-CD 2.93Å
437K81.8Confident84.5Confident55 Ų5540.1 Ų40.124%0.23922%0.217CC..  trans-124.473176.7-65.3-65-175.3169.30109.7D382 E430 Q434 R435D382-K437 IonicContact OD2-NZ 3.63Å; D382-K437 PolarHBondContact OD2-NZ 2.85Å; E430-K437 HydrophobicContact CB-CD 4.23Å; E430-K437 WeakPolarHBondContact OE2-CD 3.09Å; E430-K437 WeakPolarHBondContact OE2-CE 3.45Å; E430-K437 IonicContact OE2-NZ 2.89Å; E430-K437 PolarHBondContact OE2-NZ 3.18Å; Q434-K437 HydrophobicContact CB-CB 3.99Å; Q434-K437 HydrophobicContact CB-CG 4.34Å; Q434-K437 PolarHBondContact O-N 3.48Å; Q434-K437 VanDerWaalsContact O-N 3.14Å; R435-K437 PolarHBondContact O-N 3.35Å
438P86.6Confident84.6Confident22 Ų2240.6 Ų40.614%0.14322%0.219CC..  trans-69.2156.2-179.931-36.9000112.1L376 C393 G436L376-P438 HydrophobicContact CD1-CB 3.47Å; L376-P438 VanDerWaalsContact CD1-CB 3.47Å; L376-P438 HydrophobicContact CD1-CG 3.71Å; C393-P438 HydrophobicContact CB-CB 4.08Å; C393-P438 HydrophobicContact CB-CG 3.79Å; G436-P438 VanDerWaalsContact C-CD 3.48Å; G436-P438 WeakPolarHBondContact O-CD 2.93Å
439G89.1Confident84.7Confident3 Ų342.3 Ų42.33%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-67.3147170.700000112.3C393 A394 Y441C393-G439 VanDerWaalsContact CA-O 3.31Å; C393-G439 WeakPolarHBondContact CA-O 3.46Å; A394-G439 PolarHBondContact N-O 3.41Å; A394-G439 PolarHBondContact O-N 2.83Å; G439-Y441 VanDerWaalsContact C-CE2 3.48Å; G439-Y441 WeakPolarHBondContact O-CD2 3.35Å; G439-Y441 VanDerWaalsContact O-CE2 3.23Å; G439-Y441 WeakPolarHBondContact O-CE2 3.32Å
440V91.5Very high85.3Confident5 Ų541.9 Ų41.93%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-107.3133.8178.4-176.10000110.1I383 S427 Y428I383-V440 HydrophobicContact CG2-CG2 3.74Å; S427-V440 VanDerWaalsContact CB-O 3.29Å; S427-V440 WeakPolarHBondContact CB-O 3.32Å; S427-V440 PolarHBondContact N-O 2.85Å; Y428-V440 HydrophobicContact CD1-CB 4.13Å; Y428-V440 HydrophobicContact CD1-CG1 4.29Å; Y428-V440 HydrophobicContact CD2-CB 4.39Å; Y428-V440 HydrophobicContact CD2-CG2 4.29Å; Y428-V440 HydrophobicContact CE1-CB 3.83Å; Y428-V440 HydrophobicContact CE1-CG1 3.63Å; Y428-V440 HydrophobicContact CE1-CG2 4.27Å; Y428-V440 HydrophobicContact CE2-CB 4.12Å; Y428-V440 HydrophobicContact CE2-CG2 3.74Å; Y428-V440 HydrophobicContact CG-CB 4.39Å; Y428-V440 PolarHBondContact N-O 2.95Å; Y428-V440 WeakPolarHBondContact O-CB 3.13Å; Y428-V440 PolarHBondContact O-N 2.97Å
441Y94.1Very high86.2Confident1 Ų136.5 Ų36.50%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-126.5137.9-173.9-58.3-95.9000110.8I352 S391 F392 A394 L412 I425 T426 G439 E443I352-Y441 HydrophobicContact CG2-CE1 3.8Å; S391-Y441 CarbonylContact C-O 3.55Å; S391-Y441 WeakPolarHBondContact CA-O 3.09Å; S391-Y441 WeakPolarHBondContact CB-O 3.4Å; F392-Y441 HydrophobicContact CE2-CD2 4.48Å; F392-Y441 HydrophobicContact CZ-CG 4.44Å; F392-Y441 PolarHBondContact N-O 2.78Å; F392-Y441 PolarHBondContact O-N 3.31Å; A394-Y441 HydrophobicContact CB-CD2 3.98Å; A394-Y441 HydrophobicContact CB-CE2 3.73Å; L412-Y441 HydrophobicContact CB-CD1 3.85Å; L412-Y441 HydrophobicContact CB-CE1 4.06Å; L412-Y441 HydrophobicContact CD1-CD1 3.86Å; L412-Y441 HydrophobicContact CD1-CD2 3.92Å; L412-Y441 HydrophobicContact CD1-CE1 3.88Å; L412-Y441 HydrophobicContact CD1-CE2 3.96Å; L412-Y441 HydrophobicContact CD1-CG 3.9Å; I425-Y441 CarbonylContact O-C 3.52Å; I425-Y441 VanDerWaalsContact O-CA 3.26Å; I425-Y441 WeakPolarHBondContact O-CA 3.49Å; T426-Y441 HydrophobicContact CG2-CE1 4.31Å; T426-Y441 WeakPolarHBondContact OG1-CE1 3.31Å; G439-Y441 VanDerWaalsContact C-CE2 3.48Å; G439-Y441 WeakPolarHBondContact O-CD2 3.35Å; G439-Y441 VanDerWaalsContact O-CE2 3.23Å; G439-Y441 WeakPolarHBondContact O-CE2 3.32Å; Y441-E443 PolarHBondContact O-N 3.12Å
442S94.5Very high87Confident0 Ų039.4 Ų39.40%020%0.195CC..EExtended strand (participates in β ladder)trans-69.2125.8170.7-70.30000109.8D316 G424 I425 V444D316-S442 PolarHBondContact O-OG 3.33Å; G424-S442 WeakPolarHBondContact CA-O 3.1Å; I425-S442 PolarHBondContact N-O 3.18Å; I425-S442 PolarHBondContact O-N 3.14Å; S442-V444 PolarHBondContact O-N 3.28Å
443E95.2Very high87.5Confident21 Ų2145 Ų4510%0.09821%0.212CC..EExtended strand (participates in β ladder)trans-77.499.9-176.3-169.8-169.9142.700111.8L344 K390 F392 Y441 A445 Q446 Y447L344-E443 HydrophobicContact CD2-CG 4.07Å; L344-E443 HydrophobicContact CG-CG 4.38Å; K390-E443 PolarHBondContact O-N 3.29Å; F392-E443 HydrophobicContact CD1-CB 3.88Å; F392-E443 HydrophobicContact CD1-CG 4.15Å; F392-E443 HydrophobicContact CE1-CB 4.26Å; F392-E443 HydrophobicContact CE1-CG 4.42Å; Y441-E443 PolarHBondContact O-N 3.12Å; E443-A445 HydrophobicContact CG-CB 4.41Å; E443-A445 PolarHBondContact O-N 3.04Å; E443-A445 VanDerWaalsContact O-N 3.14Å; E443-Q446 HydrophobicContact CB-CG 3.98Å; E443-Q446 VanDerWaalsContact CD-CG 3.41Å; E443-Q446 HydrophobicContact CG-CG 3.96Å; E443-Q446 WeakPolarHBondContact O-CB 3.47Å; E443-Q446 PolarHBondContact O-N 3.19Å; E443-Q446 WeakPolarHBondContact OE1-CG 3.35Å; E443-Q446 PolarHBondContact OE1-NE2 3.45Å; E443-Y447 WeakPolarHBondContact O-CD2 3.42Å; E443-Y447 WeakPolarHBondContact O-CE2 3.24Å
444V96.3Very high88.4Confident0 Ų045.4 Ų45.40%021%0.209CC..Hα-helixtrans-57.7-34.6-171.81760000112.8L337 P338 L422 Y423 I425 S442 Q446 Y447 I448 I451L337-V444 HydrophobicContact CD2-CG1 4Å; P338-V444 HydrophobicContact CG-CB 4.25Å; P338-V444 HydrophobicContact CG-CG1 4.07Å; L422-V444 HydrophobicContact CD2-CG2 4.34Å; L422-V444 HydrophobicContact CG-CG2 4.12Å; L422-V444 VanDerWaalsContact O-CB 3.31Å; L422-V444 WeakPolarHBondContact O-CB 3.27Å; L422-V444 WeakPolarHBondContact O-CG1 3.43Å; Y423-V444 PolarHBondContact O-N 3.48Å; I425-V444 HydrophobicContact CD1-CG2 3.97Å; I425-V444 HydrophobicContact CG1-CG2 3.79Å; S442-V444 PolarHBondContact O-N 3.28Å; V444-Q446 PolarHBondContact O-N 3.31Å; V444-Y447 WeakPolarHBondContact O-CA 3.35Å; V444-Y447 PolarHBondContact O-N 3.02Å; V444-I448 HydrophobicContact CG1-CD1 4.19Å; V444-I448 PolarHBondContact O-N 3.29Å; V444-I451 HydrophobicContact CG1-CD1 4.44Å
445A95.1Very high88.4Confident0 Ų040.5 Ų40.50%019%0.186CC..Hα-helixtrans-56-33.1176.100000112.9P338 R341 E342 E443 Y447P338-A445 HydrophobicContact CB-CB 4.34Å; P338-A445 HydrophobicContact CG-CB 4.09Å; R341-A445 PolarHBondContact N-O 2.98Å; E342-A445 HydrophobicContact CB-CB 4.42Å; E342-A445 WeakPolarHBondContact O-CB 3.49Å; E443-A445 HydrophobicContact CG-CB 4.41Å; E443-A445 PolarHBondContact O-N 3.04Å; E443-A445 VanDerWaalsContact O-N 3.14Å; A445-Y447 VanDerWaalsContact C-N 3.3Å; A445-Y447 PolarHBondContact O-N 2.57Å
446Q93.1Very high87.9Confident65 Ų6532.9 Ų32.930%0.30416%0.164SC..Hα-helixtrans-76.6-15.9177.1-57.5-59.6-29.300113.2K390 E443 V444K390-Q446 HydrophobicContact CB-CB 4.39Å; K390-Q446 HydrophobicContact CG-CB 4.18Å; E443-Q446 HydrophobicContact CB-CG 3.98Å; E443-Q446 VanDerWaalsContact CD-CG 3.41Å; E443-Q446 HydrophobicContact CG-CG 3.96Å; E443-Q446 WeakPolarHBondContact O-CB 3.47Å; E443-Q446 PolarHBondContact O-N 3.19Å; E443-Q446 WeakPolarHBondContact OE1-CG 3.35Å; E443-Q446 PolarHBondContact OE1-NE2 3.45Å; V444-Q446 PolarHBondContact O-N 3.31Å
447Y93Very high87.4Confident5 Ų536.3 Ų36.32%0.0217%0.17CC..Hα-helixtrans-104.4-4.7-178.2-62.1-83.4000113.9L315 I317 K390 E443 V444 A445 H449 W450 I451L315-Y447 WeakPolarHBondContact CA-OH 3.24Å; L315-Y447 HydrophobicContact CB-CE1 4.47Å; L315-Y447 HydrophobicContact CD2-CE1 3.66Å; I317-Y447 HydrophobicContact CB-CD1 4.46Å; I317-Y447 HydrophobicContact CD1-CD1 4.37Å; I317-Y447 HydrophobicContact CD1-CD2 4.1Å; I317-Y447 HydrophobicContact CD1-CG 3.8Å; I317-Y447 HydrophobicContact CG2-CD1 3.48Å; I317-Y447 VanDerWaalsContact CG2-CD1 3.48Å; I317-Y447 HydrophobicContact CG2-CE1 3.6Å; I317-Y447 HydrophobicContact CG2-CG 4Å; K390-Y447 HydrophobicContact CB-CE2 4.12Å; K390-Y447 WeakPolarHBondContact CB-OH 3.41Å; K390-Y447 HydrophobicContact CD-CE1 4.17Å; E443-Y447 WeakPolarHBondContact O-CD2 3.42Å; E443-Y447 WeakPolarHBondContact O-CE2 3.24Å; V444-Y447 WeakPolarHBondContact O-CA 3.35Å; V444-Y447 PolarHBondContact O-N 3.02Å; A445-Y447 VanDerWaalsContact C-N 3.3Å; A445-Y447 PolarHBondContact O-N 2.57Å; Y447-H449 VanDerWaalsContact C-N 3.27Å; Y447-H449 PolarHBondContact O-N 3.13Å; Y447-W450 CarbonylContact O-C 3.57Å; Y447-W450 WeakPolarHBondContact O-CA 3.47Å; Y447-W450 WeakPolarHBondContact O-CB 3.34Å; Y447-W450 PolarHBondContact O-N 3.36Å; Y447-I451 WeakPolarHBondContact O-CG1 3.14Å; Y447-I451 PolarHBondContact O-N 3.46Å
448I92.9Very high86.7Confident12 Ų1234.6 Ų34.66%0.06216%0.163CC..Hα-helixtrans-52.1-44.3-179.8-62.4-60000112.3L337 P338 V444 W450 I451 K452L337-I448 HydrophobicContact CB-CD1 4.09Å; P338-I448 HydrophobicContact CG-CD1 4.43Å; P338-I448 VanDerWaalsContact O-CD1 3.27Å; P338-I448 WeakPolarHBondContact O-CD1 3.48Å; P338-I448 WeakPolarHBondContact O-CG1 3.24Å; V444-I448 HydrophobicContact CG1-CD1 4.19Å; V444-I448 PolarHBondContact O-N 3.29Å; I448-W450 VanDerWaalsContact C-N 3.31Å; I448-W450 PolarHBondContact O-N 3.36Å; I448-I451 HydrophobicContact CD1-CD1 4.35Å; I448-I451 PolarHBondContact O-N 3.15Å; I448-K452 HydrophobicContact CG2-CD 4.25Å; I448-K452 HydrophobicContact CG2-CG 4.49Å; I448-K452 WeakPolarHBondContact O-CB 3.05Å; I448-K452 VanDerWaalsContact O-CG 3.32Å; I448-K452 WeakPolarHBondContact O-CG 2.89Å; I448-K452 PolarHBondContact O-N 3.46Å
449H88.3Confident85.3Confident106 Ų10641.1 Ų41.149%0.49120%0.197SC..Hα-helixtrans-65.6-33.1176.5-175.9-97.2000113.1Y447 R453Y447-H449 VanDerWaalsContact C-N 3.27Å; Y447-H449 PolarHBondContact O-N 3.13Å; H449-R453 PolarHBondContact CE1-NE 2.79Å; H449-R453 VanDerWaalsContact CE1-NE 3.28Å; H449-R453 PolarHBondContact CE1-NH1 3.19Å; H449-R453 VanDerWaalsContact ND1-CZ 3.29Å; H449-R453 PolarHBondContact ND1-NE 2.65Å; H449-R453 PolarHBondContact ND1-NH2 3.43Å; H449-R453 WeakPolarHBondContact O-CG 3.36Å; H449-R453 PolarHBondContact O-N 3.23Å; H449-R453 PolarHBondContact O-NE 2.94Å
450W90.2Very high83.4Confident33 Ų3342.3 Ų42.313%0.12520%0.204CC..Hα-helixtrans-69-48.7173.617386.9000110.7T304 I317 L319 Y447 I448 K452 R453 Q454T304-W450 HydrophobicContact CG2-CH2 4.29Å; T304-W450 HydrophobicContact CG2-CZ2 4.11Å; I317-W450 HydrophobicContact CD1-CE3 4.37Å; I317-W450 HydrophobicContact CD1-CZ3 4.12Å; I317-W450 HydrophobicContact CG1-CZ3 3.97Å; I317-W450 HydrophobicContact CG2-CE3 4.11Å; I317-W450 HydrophobicContact CG2-CH2 4.3Å; I317-W450 HydrophobicContact CG2-CZ3 3.97Å; L319-W450 HydrophobicContact CB-CH2 3.88Å; L319-W450 HydrophobicContact CB-CZ3 4.14Å; Y447-W450 CarbonylContact O-C 3.57Å; Y447-W450 WeakPolarHBondContact O-CA 3.47Å; Y447-W450 WeakPolarHBondContact O-CB 3.34Å; Y447-W450 PolarHBondContact O-N 3.36Å; I448-W450 VanDerWaalsContact C-N 3.31Å; I448-W450 PolarHBondContact O-N 3.36Å; W450-K452 VanDerWaalsContact C-N 3.3Å; W450-K452 PolarHBondContact O-N 2.71Å; W450-R453 PolarHBondContact O-N 3.07Å; W450-Q454 HydrophobicContact CD2-CG 3.81Å; W450-Q454 HydrophobicContact CE3-CG 4.46Å; W450-Q454 HydrophobicContact CG-CG 4.16Å; W450-Q454 HydrophobicContact CH2-CG 4.23Å; W450-Q454 HydrophobicContact CZ2-CB 4.49Å; W450-Q454 HydrophobicContact CZ2-CG 3.56Å; W450-Q454 WeakPolarHBondContact O-CG 3.48Å; W450-Q454 PolarHBondContact O-N 2.98Å
451I90.3Very high81.2Confident3 Ų351.6 Ų51.62%0.01524%0.243CC..Hα-helixtrans-54.1-48177.5-63.1167.2000110.3L249 L259 I317 L319 V444 Y447 I448 R453 Q454 A455L249-I451 HydrophobicContact CD1-CG2 4.14Å; L249-I451 HydrophobicContact CD2-CG2 3.95Å; L259-I451 HydrophobicContact CD1-CD1 3.76Å; L259-I451 HydrophobicContact CD2-CD1 4.09Å; L259-I451 HydrophobicContact CD2-CG1 4.21Å; I317-I451 HydrophobicContact CD1-CD1 4.42Å; L319-I451 HydrophobicContact CD2-CG2 4.49Å; V444-I451 HydrophobicContact CG1-CD1 4.44Å; Y447-I451 WeakPolarHBondContact O-CG1 3.14Å; Y447-I451 PolarHBondContact O-N 3.46Å; I448-I451 HydrophobicContact CD1-CD1 4.35Å; I448-I451 PolarHBondContact O-N 3.15Å; I451-R453 VanDerWaalsContact C-N 3.29Å; I451-R453 PolarHBondContact O-N 3.22Å; I451-Q454 PolarHBondContact O-N 2.66Å; I451-A455 PolarHBondContact O-N 3.24Å
452K83Confident78.9Confident87 Ų8754.2 Ų54.238%0.37826%0.255SS..Hα-helixtrans-59.5-34.1178-74.2-176178.3-1700113.7I448 W450 P456 F462 L464I448-K452 HydrophobicContact CG2-CD 4.25Å; I448-K452 HydrophobicContact CG2-CG 4.49Å; I448-K452 WeakPolarHBondContact O-CB 3.05Å; I448-K452 VanDerWaalsContact O-CG 3.32Å; I448-K452 WeakPolarHBondContact O-CG 2.89Å; I448-K452 PolarHBondContact O-N 3.46Å; W450-K452 VanDerWaalsContact C-N 3.3Å; W450-K452 PolarHBondContact O-N 2.71Å; K452-P456 WeakPolarHBondContact O-CD 3.42Å; K452-P456 WeakPolarHBondContact O-CG 3.28Å; K452-F462 HydrophobicContact CB-CE1 4.28Å; K452-F462 HydrophobicContact CB-CZ 4.37Å; K452-F462 HydrophobicContact CG-CE1 3.96Å; K452-F462 HydrophobicContact CG-CZ 3.99Å; K452-L464 HydrophobicContact CD-CD1 4.47Å; K452-L464 HydrophobicContact CG-CD1 4.08Å
453R84.1Confident76.4Confident143 Ų14358.8 Ų58.854%0.5428%0.279SS..Hα-helixtrans-81.4-29.8177.5-73.8-173.5-61.5-1742.3113.1H449 W450 I451H449-R453 PolarHBondContact CE1-NE 2.79Å; H449-R453 VanDerWaalsContact CE1-NE 3.28Å; H449-R453 PolarHBondContact CE1-NH1 3.19Å; H449-R453 VanDerWaalsContact ND1-CZ 3.29Å; H449-R453 PolarHBondContact ND1-NE 2.65Å; H449-R453 PolarHBondContact ND1-NH2 3.43Å; H449-R453 WeakPolarHBondContact O-CG 3.36Å; H449-R453 PolarHBondContact O-N 3.23Å; H449-R453 PolarHBondContact O-NE 2.94Å; W450-R453 PolarHBondContact O-N 3.07Å; I451-R453 VanDerWaalsContact C-N 3.29Å; I451-R453 PolarHBondContact O-N 3.22Å
454Q83.3Confident74Confident31 Ų3159.8 Ų59.815%0.14529%0.285CS..Hα-helixtrans-80.6-39.5-176.8-71.9-44.9-67.600113T304 L319 W450 I451 L457T304-Q454 HydrophobicContact CG2-CB 3.65Å; T304-Q454 HydrophobicContact CG2-CG 3.79Å; T304-Q454 PolarHBondContact OG1-OE1 3.29Å; L319-Q454 HydrophobicContact CD2-CB 4.19Å; W450-Q454 HydrophobicContact CD2-CG 3.81Å; W450-Q454 HydrophobicContact CE3-CG 4.46Å; W450-Q454 HydrophobicContact CG-CG 4.16Å; W450-Q454 HydrophobicContact CH2-CG 4.23Å; W450-Q454 HydrophobicContact CZ2-CB 4.49Å; W450-Q454 HydrophobicContact CZ2-CG 3.56Å; W450-Q454 WeakPolarHBondContact O-CG 3.48Å; W450-Q454 PolarHBondContact O-N 2.98Å; I451-Q454 PolarHBondContact O-N 2.66Å; Q454-L457 WeakPolarHBondContact O-CB 3.49Å; Q454-L457 PolarHBondContact O-N 2.92Å
455A75.6Confident71.3Confident0 Ų067.3 Ų67.30%032%0.318CS..G310 helixtrans-56.7-43.5-178.500000113.4L249 F257 L319 I451 L457 F458 T460 F462L249-A455 HydrophobicContact CD1-CB 3.74Å; F257-A455 HydrophobicContact CE1-CB 4.32Å; F257-A455 HydrophobicContact CZ-CB 4.34Å; L319-A455 HydrophobicContact CD2-CB 4.2Å; I451-A455 PolarHBondContact O-N 3.24Å; A455-L457 VanDerWaalsContact C-N 3.27Å; A455-L457 PolarHBondContact O-N 3.16Å; A455-F458 WeakPolarHBondContact O-CB 3.33Å; A455-F458 PolarHBondContact O-N 2.82Å; A455-F458 VanDerWaalsContact O-N 3.17Å; A455-T460 PolarHBondContact O-OG1 3.22Å; A455-F462 HydrophobicContact CB-CD2 3.92Å; A455-F462 HydrophobicContact CB-CE2 3.7Å
456P68.7Low68.7Low52 Ų5268.6 Ų68.634%0.33833%0.326SS..G310 helixtrans-61.8-27.7175.1-24.133.8000115.1K452 F458 N459 F462K452-P456 WeakPolarHBondContact O-CD 3.42Å; K452-P456 WeakPolarHBondContact O-CG 3.28Å; P456-F458 PolarHBondContact O-N 2.94Å; P456-F458 VanDerWaalsContact O-N 3.15Å; P456-N459 WeakPolarHBondContact O-CA 3.38Å; P456-N459 PolarHBondContact O-N 3.09Å; P456-F462 HydrophobicContact CG-CB 3.97Å; P456-F462 HydrophobicContact CG-CG 4.3Å
457L69.6Low66Low118 Ų11869.9 Ų69.962%0.61834%0.335SS*.G310 helixtrans-65.2-16.2178.2-62.7175000112.6Q454 A455 N459Q454-L457 WeakPolarHBondContact O-CB 3.49Å; Q454-L457 PolarHBondContact O-N 2.92Å; A455-L457 VanDerWaalsContact C-N 3.27Å; A455-L457 PolarHBondContact O-N 3.16Å; L457-N459 PolarHBondContact O-N 2.93Å
458F66.8Low63.4Low20 Ų2073.5 Ų73.59%0.08836%0.361CS..G310 helixtrans-81.317.6169.1-59.9-47.6000113.5F257 K302 T304 L319 L321 A455 P456 T460F257-F458 AromaticContact CE1-CD2 3.96Å; F257-F458 HydrophobicContact CE1-CD2 3.96Å; F257-F458 HydrophobicContact CE1-CE2 4.47Å; K302-F458 HydrophobicContact CB-CD1 3.95Å; K302-F458 HydrophobicContact CB-CE1 3.69Å; K302-F458 HydrophobicContact CD-CD1 4.18Å; T304-F458 HydrophobicContact CG2-CE1 4.44Å; T304-F458 HydrophobicContact CG2-CE2 4.07Å; T304-F458 HydrophobicContact CG2-CZ 3.57Å; L319-F458 HydrophobicContact CD2-CE2 3.92Å; L319-F458 HydrophobicContact CG-CE2 4.09Å; L321-F458 HydrophobicContact CB-CD1 4.49Å; L321-F458 HydrophobicContact CB-CD2 4.25Å; L321-F458 HydrophobicContact CB-CE2 4.32Å; L321-F458 HydrophobicContact CB-CG 4.31Å; L321-F458 HydrophobicContact CB-CZ 4.48Å; L321-F458 HydrophobicContact CD2-CB 3.98Å; L321-F458 HydrophobicContact CD2-CD1 4.44Å; L321-F458 HydrophobicContact CD2-CG 4.18Å; A455-F458 WeakPolarHBondContact O-CB 3.33Å; A455-F458 PolarHBondContact O-N 2.82Å; A455-F458 VanDerWaalsContact O-N 3.17Å; P456-F458 PolarHBondContact O-N 2.94Å; P456-F458 VanDerWaalsContact O-N 3.15Å; F458-T460 PolarHBondContact O-N 3.08Å
459N56.4Low60.9Low158 Ų15876.2 Ų76.285%0.84538%0.375SS*.THydrogen-bonded Turntrans59.424.5-174.9-82.82000114.6P456 L457P456-N459 WeakPolarHBondContact O-CA 3.38Å; P456-N459 PolarHBondContact O-N 3.09Å; L457-N459 PolarHBondContact O-N 2.93Å
460T50.4Low58.6Low29 Ų2974.7 Ų74.718%0.17837%0.366CS..  trans-97.9114174.348.30000111F257 A455 F458 F462F257-T460 HydrophobicContact CZ-CG2 4.5Å; A455-T460 PolarHBondContact O-OG1 3.22Å; F458-T460 PolarHBondContact O-N 3.08Å; T460-F462 PolarHBondContact O-N 3.2Å
461K44.8Very low56.2Low199 Ų19980.2 Ų80.287%0.86539%0.393SS*.  trans-56.7129.8170-76-175.9177.3179.80110.1K250K250-K461 WeakPolarHBondContact CE-O 3.27Å; K250-K461 PolarHBondContact NZ-O 3.05Å
462F45.3Very low53.3Low56 Ų5683.1 Ų83.125%0.24642%0.424CS..  trans-119136.4-162.8-169-96.3000111.6L249 K452 A455 P456 T460 L464L249-F462 HydrophobicContact CB-CE2 3.95Å; L249-F462 HydrophobicContact CD1-CE2 4.37Å; K452-F462 HydrophobicContact CB-CE1 4.28Å; K452-F462 HydrophobicContact CB-CZ 4.37Å; K452-F462 HydrophobicContact CG-CE1 3.96Å; K452-F462 HydrophobicContact CG-CZ 3.99Å; A455-F462 HydrophobicContact CB-CD2 3.92Å; A455-F462 HydrophobicContact CB-CE2 3.7Å; P456-F462 HydrophobicContact CG-CB 3.97Å; P456-F462 HydrophobicContact CG-CG 4.3Å; T460-F462 PolarHBondContact O-N 3.2Å; F462-L464 HydrophobicContact CE1-CB 3.81Å; F462-L464 HydrophobicContact CE1-CD1 3.62Å; F462-L464 HydrophobicContact CE1-CG 3.67Å; F462-L464 HydrophobicContact CE2-CD1 4.31Å; F462-L464 HydrophobicContact CE2-CG 4.4Å; F462-L464 HydrophobicContact CZ-CB 4.22Å; F462-L464 HydrophobicContact CZ-CD1 3.25Å; F462-L464 HydrophobicContact CZ-CG 3.55Å
463D42.6Very low51Low96 Ų9686.9 Ų86.951%0.51344%0.443SS..  trans-147.8107.4168.4-150.83.7000110.5F465D463-F465 WeakPolarHBondContact OD1-CD2 3.42Å; D463-F465 WeakPolarHBondContact OD1-CE2 3.37Å
464L44.6Very low48.5Very low42 Ų4287.8 Ų87.822%0.2246%0.458CS..  trans-10768.7175.5-93.4179.3000108.5L249 K452 F462 T466L249-L464 WeakPolarHBondContact O-CD2 3.08Å; L249-L464 WeakPolarHBondContact O-CG 3.25Å; K452-L464 HydrophobicContact CD-CD1 4.47Å; K452-L464 HydrophobicContact CG-CD1 4.08Å; F462-L464 HydrophobicContact CE1-CB 3.81Å; F462-L464 HydrophobicContact CE1-CD1 3.62Å; F462-L464 HydrophobicContact CE1-CG 3.67Å; F462-L464 HydrophobicContact CE2-CD1 4.31Å; F462-L464 HydrophobicContact CE2-CG 4.4Å; F462-L464 HydrophobicContact CZ-CB 4.22Å; F462-L464 HydrophobicContact CZ-CD1 3.25Å; F462-L464 HydrophobicContact CZ-CG 3.55Å; L464-T466 VanDerWaalsContact C-N 3.33Å; L464-T466 HydrophobicContact CD2-CG2 4.38Å; L464-T466 PolarHBondContact O-N 2.98Å
465F38.3Very low45.9Very low158 Ų15892.4 Ų92.469%0.69349%0.489SS*.  trans-92.668.8162.2-76.2-74.6000109.5D463D463-F465 WeakPolarHBondContact OD1-CD2 3.42Å; D463-F465 WeakPolarHBondContact OD1-CE2 3.37Å
466T41.3Very low43.9Very low27 Ų2799 Ų9917%0.16653%0.528CS..  trans-94.8-4.3170.846.70000113.3L464 S468 I469 Y470L464-T466 VanDerWaalsContact C-N 3.33Å; L464-T466 HydrophobicContact CD2-CG2 4.38Å; L464-T466 PolarHBondContact O-N 2.98Å; T466-S468 PolarHBondContact O-N 3.21Å; T466-I469 HydrophobicContact CG2-CD1 4.38Å; T466-I469 PolarHBondContact O-N 3.37Å; T466-I469 VanDerWaalsContact O-N 3.15Å; T466-Y470 WeakPolarHBondContact O-CD2 3.44Å; T466-Y470 PolarHBondContact O-N 3.32Å
467D36.8Very low42.1Very low92 Ų92103.2 Ų103.249%0.49254%0.543SS..Hα-helixtrans-60.8-28172.7-84.3-26.6000111.8Q471D467-Q471 WeakPolarHBondContact O-CB 3.5Å; D467-Q471 VanDerWaalsContact O-CG 3.24Å; D467-Q471 WeakPolarHBondContact O-CG 3.34Å; D467-Q471 PolarHBondContact O-N 2.93Å
468S38.4Very low40.2Very low81 Ų81107 Ų10757%0.56656%0.558SS**Hα-helixtrans-73.4-36.8174.264.40000113.2T466 Y470 Q471T466-S468 PolarHBondContact O-N 3.21Å; S468-Y470 VanDerWaalsContact C-N 3.29Å; S468-Y470 PolarHBondContact O-N 3.42Å; S468-Q471 PolarHBondContact O-N 3.26Å
469I40.5Very low38.5Very low70 Ų70113.7 Ų113.736%0.35959%0.587SS.*Hα-helixtrans-67.6-34175.9-63.3175.4000110.2T466 Q471T466-I469 HydrophobicContact CG2-CD1 4.38Å; T466-I469 PolarHBondContact O-N 3.37Å; T466-I469 VanDerWaalsContact O-N 3.15Å; I469-Q471 VanDerWaalsContact C-N 3.31Å; I469-Q471 PolarHBondContact O-N 2.83Å
470Y39.2Very low37.3Very low74 Ų74111.6 Ų111.629%0.2959%0.585SS.*Hα-helixtrans-76.3-13.8175.3-61-58000114.1F421 T466 S468F421-Y470 HydrophobicContact CZ-CE1 4.32Å; T466-Y470 WeakPolarHBondContact O-CD2 3.44Å; T466-Y470 PolarHBondContact O-N 3.32Å; S468-Y470 VanDerWaalsContact C-N 3.29Å; S468-Y470 PolarHBondContact O-N 3.42Å
471Q39.4Very low36.6Very low149 Ų149116.7 Ų116.770%0.69662%0.616SS**THydrogen-bonded Turntrans-91.6-3.8-178-82-178.9400114.5D467 S468 I469 Q473D467-Q471 WeakPolarHBondContact O-CB 3.5Å; D467-Q471 VanDerWaalsContact O-CG 3.24Å; D467-Q471 WeakPolarHBondContact O-CG 3.34Å; D467-Q471 PolarHBondContact O-N 2.93Å; S468-Q471 PolarHBondContact O-N 3.26Å; I469-Q471 VanDerWaalsContact C-N 3.31Å; I469-Q471 PolarHBondContact O-N 2.83Å; Q471-Q473 PolarHBondContact O-N 2.77Å
472G30.7Very low36.1Very low64 Ų64112 Ų11266%0.6661%0.608SS**THydrogen-bonded Turntrans-66.56.2-175.800000117.3
473Q33.4Very low35.6Very low166 Ų166114.5 Ų114.578%0.77663%0.632SS**THydrogen-bonded Turntrans-111.94.2-177.1-77.5-169.6-21.900116.4Q471Q471-Q473 PolarHBondContact O-N 2.77Å
474N31.4Very low35.2Very low161 Ų161119 Ų11986%0.86165%0.65SS**SBendtrans-110.520.4-177.7-84.3-12.7000116.6
475T29.2Very low34.8Very low129 Ų129122.8 Ų122.879%0.79168%0.675SS**  trans-12365.6170.854.50000111.2E477T475-E477 PolarHBondContact O-N 2.8Å
476V33.8Very low34.8Very low137 Ų137128.7 Ų128.783%0.8370%0.701SS**  trans-83.3102.4150.4179.70000105.7Q478V476-Q478 PolarHBondContact O-N 3.16Å; V476-Q478 VanDerWaalsContact O-N 3.16Å
477E31.7Very low34.5Very low141 Ų141133.8 Ų133.866%0.65973%0.728SS**  trans-44.3118.3174.9-69.4177.9140.700110.4T475 K479T475-E477 PolarHBondContact O-N 2.8Å; E477-K479 HydrophobicContact CB-CG 4.37Å; E477-K479 PolarHBondContact O-N 3.47Å; E477-K479 VanDerWaalsContact OE2-CE 3.29Å; E477-K479 WeakPolarHBondContact OE2-CE 3.29Å; E477-K479 IonicContact OE2-NZ 2.86Å
478Q28.5Very low34.4Very low197 Ų197135.9 Ų135.992%0.92174%0.74SS**  trans-63.680.6155.5-76.4-176.9-27.100107.7V476 S480V476-Q478 PolarHBondContact O-N 3.16Å; V476-Q478 VanDerWaalsContact O-N 3.16Å; Q478-S480 VanDerWaalsContact C-N 3.27Å; Q478-S480 PolarHBondContact O-N 3.03Å
479K32.5Very low34.2Very low161 Ų161139 Ų13970%0.775%0.75SS**  trans-69.797.7158.6-79.8-177.3178.9169.10106.4E477 V481E477-K479 HydrophobicContact CB-CG 4.37Å; E477-K479 PolarHBondContact O-N 3.47Å; E477-K479 VanDerWaalsContact OE2-CE 3.29Å; E477-K479 WeakPolarHBondContact OE2-CE 3.29Å; E477-K479 IonicContact OE2-NZ 2.86Å; K479-V481 PolarHBondContact O-N 3.01Å
480S31.6Very low33.8Very low114 Ų114143.1 Ų143.180%0.79777%0.773SS**  trans-43.5108.1164.454.90000109.3Q478 S482Q478-S480 VanDerWaalsContact C-N 3.27Å; Q478-S480 PolarHBondContact O-N 3.03Å; S480-S482 PolarHBondContact O-N 3.24Å
481V34.9Very low33.5Very low137 Ų137147.4 Ų147.483%0.8380%0.803SS**  trans-72.3108166.3176.70000106K479 S483K479-V481 PolarHBondContact O-N 3.01Å; V481-S483 PolarHBondContact O-N 3.23Å
482S33.8Very low33.1Very low101 Ų101147.3 Ų147.371%0.70681%0.81SS**  trans-58.6117.2169.346.20000109S480 E484S480-S482 PolarHBondContact O-N 3.24Å; S482-E484 PolarHBondContact O-N 3.33Å
483S34.5Very low33.2Very low108 Ų108153.2 Ų153.276%0.75582%0.821SS**  trans-72.1101170.336.20000109.7V481 T485V481-S483 PolarHBondContact O-N 3.23Å; S483-T485 PolarHBondContact O-N 3.22Å
484E35.2Very low33.2Very low190 Ų190152.2 Ų152.289%0.88883%0.825SS**  trans-78.5102.3158.3-76.6-174.6164.100108.2S482S482-E484 PolarHBondContact O-N 3.33Å
485T35.2Very low33.4Very low122 Ų122151.5 Ų151.575%0.74882%0.822SS**  trans-71.6127.6166.943.60000110.2S483S483-T485 PolarHBondContact O-N 3.22Å
486F39.9Very low33.8Very low281 Ų281153.5 Ų153.5100%1.23282%0.824SS**  trans-109.80141.7-95.4-80.3000108.5

Retrieved 486 of 486 residues in 394.3 ms (Link to these results)

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