A0A3Q0KBT9_SCHMA Loading...

Mitogen-activated protein kinase kinase kinase kinase

Serine/threonine kinase that plays a role in the response to environmental stress. Appears to act upstream of the JUN N-terminal pathway.

AlphaFold DB , UniProt , Accession A0A3Q0KBT9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,011 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
1M42.2Very low73.4Confident235 Ų23594 Ų94100%1.15846%0.455SS*.  0136.50-68.1166.7177.300107.5
2N59.1Low74.2Confident142 Ų14292.4 Ų92.476%0.75945%0.445SS*.  trans-80.7145.6-177-65.40000109.6
3H64.8Low75.4Confident65 Ų6586.9 Ų86.930%0.30142%0.421SS..  trans-142.2123.9-178.6180-80.1000107.7K5 L6 D7 L57H3-K5 VanDerWaalsContact C-N 3.25Å; H3-K5 PolarHBondContact O-N 3.32Å; H3-L6 HydrophobicContact CB-CD1 4.43Å; H3-L6 WeakPolarHBondContact O-CA 3.2Å; H3-L6 WeakPolarHBondContact O-CB 3.39Å; H3-L6 PolarHBondContact O-N 3.18Å; H3-D7 VanDerWaalsContact C-OD2 3.25Å; H3-D7 PolarHBondContact N-OD2 3.1Å; H3-D7 VanDerWaalsContact N-OD2 3.15Å; H3-D7 PolarHBondContact O-N 3.14Å; H3-D7 VanDerWaalsContact O-OD2 3.12Å; H3-L57 HydrophobicContact CB-CD2 4.45Å
4P72.9Confident76.6Confident103 Ų10386.1 Ų86.167%0.66941%0.414SS*.Hα-helixtrans-59.6-31.5-161.419.8-32.8000114.1L6 D7 Y8P4-L6 VanDerWaalsContact C-N 3.34Å; P4-L6 PolarHBondContact O-N 3.27Å; P4-D7 PolarHBondContact O-N 3.4Å; P4-Y8 PolarHBondContact O-N 3.33Å
5K70.8Confident77.4Confident81 Ų8188.1 Ų88.135%0.35244%0.437SS..Hα-helixtrans-56.6-43.1170.4-80.5-168.2170.9-165.30113.1H3 L9 L57 D59 I61H3-K5 VanDerWaalsContact C-N 3.25Å; H3-K5 PolarHBondContact O-N 3.32Å; K5-L9 PolarHBondContact O-N 3.14Å; K5-L57 WeakPolarHBondContact CD-O 3.2Å; K5-L57 WeakPolarHBondContact CE-O 3.35Å; K5-L57 PolarHBondContact NZ-O 3.43Å; K5-D59 PolarHBondContact NZ-O 3.13Å; K5-I61 HydrophobicContact CB-CG1 3.93Å; K5-I61 HydrophobicContact CD-CG1 4.2Å; K5-I61 HydrophobicContact CG-CG1 4.37Å
6L76.8Confident78.1Confident7 Ų787.8 Ų87.84%0.03744%0.437CS..Hα-helixtrans-75.9-34.6179.9-64.7175.5000111.2H3 P4 Y8 L9 R10 I55 L57 L87 N90H3-L6 HydrophobicContact CB-CD1 4.43Å; H3-L6 WeakPolarHBondContact O-CA 3.2Å; H3-L6 WeakPolarHBondContact O-CB 3.39Å; H3-L6 PolarHBondContact O-N 3.18Å; P4-L6 VanDerWaalsContact C-N 3.34Å; P4-L6 PolarHBondContact O-N 3.27Å; L6-Y8 VanDerWaalsContact C-N 3.28Å; L6-Y8 PolarHBondContact O-N 3.12Å; L6-L9 WeakPolarHBondContact O-CA 3.41Å; L6-L9 WeakPolarHBondContact O-CB 3.42Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-L9 VanDerWaalsContact O-N 3.08Å; L6-R10 WeakPolarHBondContact O-CG 3.3Å; L6-R10 PolarHBondContact O-N 2.78Å; L6-I55 HydrophobicContact CD2-CB 4.42Å; L6-I55 HydrophobicContact CD2-CG2 3.97Å; L6-L57 HydrophobicContact CD1-CD2 4.33Å; L6-L87 HydrophobicContact CB-CD2 4.43Å; L6-N90 WeakPolarHBondContact CD1-OD1 3.23Å
7D81.6Confident78.7Confident49 Ų4984.1 Ų84.126%0.26242%0.419SS..Hα-helixtrans-70.3-26.5177.7-56-48.4000112.2H3 P4 R10H3-D7 VanDerWaalsContact C-OD2 3.25Å; H3-D7 PolarHBondContact N-OD2 3.1Å; H3-D7 VanDerWaalsContact N-OD2 3.15Å; H3-D7 PolarHBondContact O-N 3.14Å; H3-D7 VanDerWaalsContact O-OD2 3.12Å; P4-D7 PolarHBondContact O-N 3.4Å; D7-R10 IonicContact OD1-NE 3.45Å
8Y83.4Confident79.4Confident95 Ų9579.4 Ų79.437%0.37340%0.396SS..Hα-helixtrans-65.2-46.5163.6-177.8-106.3000111.9P4 L6 R10 Q11 F12 I61 R62 C65P4-Y8 PolarHBondContact O-N 3.33Å; L6-Y8 VanDerWaalsContact C-N 3.28Å; L6-Y8 PolarHBondContact O-N 3.12Å; Y8-R10 PolarHBondContact O-N 2.84Å; Y8-Q11 WeakPolarHBondContact O-CB 3.48Å; Y8-Q11 PolarHBondContact O-N 3.35Å; Y8-Q11 VanDerWaalsContact O-N 3.11Å; Y8-F12 HydrophobicContact CD1-CE2 4.38Å; Y8-F12 HydrophobicContact CD2-CE2 4.41Å; Y8-F12 AromaticContact CE1-CE2 3.9Å; Y8-F12 HydrophobicContact CE1-CE2 3.9Å; Y8-F12 HydrophobicContact CE1-CZ 4.49Å; Y8-F12 AromaticContact CE2-CE2 3.93Å; Y8-F12 HydrophobicContact CE2-CE2 3.93Å; Y8-F12 HydrophobicContact CE2-CZ 4.43Å; Y8-F12 AromaticContact CZ-CE2 3.65Å; Y8-F12 AromaticContact CZ-CZ 4Å; Y8-F12 WeakPolarHBondContact O-CD2 3.48Å; Y8-I61 HydrophobicContact CD1-CG2 4.05Å; Y8-R62 HydrophobicContact CE1-CG 4.14Å; Y8-C65 HydrophobicContact CE1-CB 4.45Å
9L83.6Confident80Confident0 Ų081.9 Ų81.90%040%0.404CS..Hα-helixtrans-60.2-33.2176.3-174.856.5000112.6K5 L6 Q11 F12 I55 I61 I64 I68 L87K5-L9 PolarHBondContact O-N 3.14Å; L6-L9 WeakPolarHBondContact O-CA 3.41Å; L6-L9 WeakPolarHBondContact O-CB 3.42Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-L9 VanDerWaalsContact O-N 3.08Å; L9-Q11 PolarHBondContact O-N 3.36Å; L9-Q11 VanDerWaalsContact O-N 3.14Å; L9-F12 PolarHBondContact O-N 3.35Å; L9-F12 VanDerWaalsContact O-N 3.08Å; L9-I55 HydrophobicContact CD2-CG1 4.38Å; L9-I61 HydrophobicContact CB-CG2 3.71Å; L9-I61 HydrophobicContact CD1-CG2 4.27Å; L9-I61 HydrophobicContact CG-CG2 4.38Å; L9-I64 HydrophobicContact CD1-CG2 3.94Å; L9-I64 HydrophobicContact CD2-CG2 4.48Å; L9-I68 HydrophobicContact CD1-CD1 3.84Å; L9-L87 HydrophobicContact CB-CD2 4.1Å; L9-L87 HydrophobicContact CD2-CD1 3.92Å; L9-L87 HydrophobicContact CD2-CD2 3.93Å; L9-L87 HydrophobicContact CD2-CG 4.49Å; L9-L87 HydrophobicContact CG-CD2 4.02Å
10R86.3Confident80.6Confident112 Ų11283.7 Ų83.742%0.42341%0.411SS..G310 helixtrans-57.5-25175.8-72.5-173.2-172.8-64-4.5113.8L6 D7 Y8 F12 L87L6-R10 WeakPolarHBondContact O-CG 3.3Å; L6-R10 PolarHBondContact O-N 2.78Å; D7-R10 IonicContact OD1-NE 3.45Å; Y8-R10 PolarHBondContact O-N 2.84Å; R10-F12 VanDerWaalsContact C-N 3.28Å; R10-F12 PolarHBondContact O-N 3.16Å; R10-L87 HydrophobicContact CG-CD2 3.92Å; R10-L87 PolarHBondContact NH1-O 3.33Å
11Q85.4Confident81.2Confident145 Ų14581 Ų8168%0.67840%0.398SS*.G310 helixtrans-74.8-17.1179.9-57.4172.217.500113Y8 L9Y8-Q11 WeakPolarHBondContact O-CB 3.48Å; Y8-Q11 PolarHBondContact O-N 3.35Å; Y8-Q11 VanDerWaalsContact O-N 3.11Å; L9-Q11 PolarHBondContact O-N 3.36Å; L9-Q11 VanDerWaalsContact O-N 3.14Å
12F83.8Confident83.7Confident75 Ų7570.1 Ų70.133%0.32934%0.344SS..G310 helixtrans-106.41.3-175.6-65.6-94.9000113.8Y8 L9 R10 C65Y8-F12 HydrophobicContact CD1-CE2 4.38Å; Y8-F12 HydrophobicContact CD2-CE2 4.41Å; Y8-F12 AromaticContact CE1-CE2 3.9Å; Y8-F12 HydrophobicContact CE1-CE2 3.9Å; Y8-F12 HydrophobicContact CE1-CZ 4.49Å; Y8-F12 AromaticContact CE2-CE2 3.93Å; Y8-F12 HydrophobicContact CE2-CE2 3.93Å; Y8-F12 HydrophobicContact CE2-CZ 4.43Å; Y8-F12 AromaticContact CZ-CE2 3.65Å; Y8-F12 AromaticContact CZ-CZ 4Å; Y8-F12 WeakPolarHBondContact O-CD2 3.48Å; L9-F12 PolarHBondContact O-N 3.35Å; L9-F12 VanDerWaalsContact O-N 3.08Å; R10-F12 VanDerWaalsContact C-N 3.28Å; R10-F12 PolarHBondContact O-N 3.16Å; F12-C65 HydrophobicContact CD1-CB 4.07Å; F12-C65 HydrophobicContact CD2-CB 4Å; F12-C65 WeakPolarHBondContact CD2-SG 3.34Å; F12-C65 HydrophobicContact CE1-CB 4.25Å; F12-C65 HydrophobicContact CE2-CB 4.19Å; F12-C65 HydrophobicContact CG-CB 3.95Å; F12-C65 HydrophobicContact CZ-CB 4.3Å
13V89.6Confident85.4Confident21 Ų2169.3 Ų69.313%0.12733%0.334CS..SBendtrans-124.9162.6-176.3-59.90000110.8I68 S85 L87 L92V13-I68 HydrophobicContact CG1-CD1 4.07Å; V13-S85 WeakPolarHBondContact CB-O 3.21Å; V13-L87 HydrophobicContact CG2-CB 3.9Å; V13-L92 HydrophobicContact CG1-CD1 3.94Å
14K91.8Very high86.7Confident76 Ų7669.1 Ų69.133%0.3333%0.334SS..BIsolated β-bridgetrans-69146.2168.5-75.3174.2166.6-166.50110.8E21 S85 Y86K14-E21 IonicContact NZ-OE1 3.39Å; K14-E21 PolarHBondContact NZ-OE1 3.38Å; K14-E21 IonicContact NZ-OE2 2.96Å; K14-E21 PolarHBondContact NZ-OE2 3.01Å; K14-S85 PolarHBondContact N-O 3.39Å; K14-Y86 HydrophobicContact CB-CD1 3.7Å; K14-Y86 HydrophobicContact CB-CE1 3.65Å; K14-Y86 HydrophobicContact CD-CD1 4.23Å; K14-Y86 HydrophobicContact CD-CE1 3.34Å; K14-Y86 VanDerWaalsContact CD-CZ 3.49Å; K14-Y86 VanDerWaalsContact CD-OH 3.24Å; K14-Y86 WeakPolarHBondContact CD-OH 2.86Å; K14-Y86 HydrophobicContact CG-CE1 4.16Å; K14-Y86 PolarHBondContact NZ-OH 3.23Å
15P88.2Confident87.6Confident116 Ų11668.5 Ų68.575%0.75333%0.325SS*.SBendtrans-82.4-22.9-178.131.6-34.4000114.5
16N88.9Confident88.4Confident83 Ų8366.7 Ų66.744%0.44433%0.325SS..SBendtrans-65.2164-175.7-61.818.7000112.6E20N16-E20 WeakPolarHBondContact CB-OE2 3.37Å
17D88.7Confident88.9Confident24 Ų2471 Ų7113%0.12835%0.353CS..  trans-75.4126.8171.4-162.5-53.4000109.4K19 E20 R88D17-K19 PolarHBondContact O-N 2.88Å; D17-K19 VanDerWaalsContact OD1-CB 3.27Å; D17-K19 WeakPolarHBondContact OD1-CB 3.25Å; D17-K19 WeakPolarHBondContact OD1-CG 3.46Å; D17-K19 PolarHBondContact OD1-N 3.33Å; D17-E20 HydrophobicContact CB-CG 3.99Å; D17-E20 PolarHBondContact N-OE2 2.89Å; D17-E20 VanDerWaalsContact O-CB 3.29Å; D17-E20 WeakPolarHBondContact O-CB 3.49Å; D17-E20 PolarHBondContact O-N 3.07Å; D17-R88 IonicContact OD2-CZ 3.57Å; D17-R88 IonicContact OD2-NE 2.76Å; D17-R88 PolarHBondContact OD2-NE 2.83Å; D17-R88 IonicContact OD2-NH2 2.68Å; D17-R88 PolarHBondContact OD2-NH2 2.83Å
18P91.1Very high89Confident0 Ų071.7 Ų71.70%036%0.356CS..Hα-helixtrans-58.3-20.9176.822.2-32.4000113.1E20 Y22 Y86 W93P18-E20 PolarHBondContact O-N 3.44Å; P18-Y22 WeakPolarHBondContact O-CB 3.21Å; P18-Y22 WeakPolarHBondContact O-CD2 3.38Å; P18-Y22 PolarHBondContact O-N 3.2Å; P18-Y86 HydrophobicContact CB-CD1 4.16Å; P18-Y86 HydrophobicContact CB-CD2 3.89Å; P18-Y86 HydrophobicContact CB-CE2 4.47Å; P18-Y86 HydrophobicContact CB-CG 3.78Å; P18-Y86 HydrophobicContact CG-CG 4.25Å; P18-W93 HydrophobicContact CB-CB 4.46Å; P18-W93 HydrophobicContact CB-CD2 3.89Å; P18-W93 HydrophobicContact CB-CE3 3.52Å; P18-W93 HydrophobicContact CB-CG 4.29Å; P18-W93 HydrophobicContact CB-CZ3 4.09Å; P18-W93 HydrophobicContact CG-CB 4.38Å; P18-W93 HydrophobicContact CG-CD2 3.47Å; P18-W93 VanDerWaalsContact CG-CD2 3.47Å; P18-W93 HydrophobicContact CG-CE3 3.58Å; P18-W93 HydrophobicContact CG-CG 3.82Å; P18-W93 HydrophobicContact CG-CZ2 4.4Å; P18-W93 HydrophobicContact CG-CZ3 4.1Å
19K90.8Very high88.3Confident128 Ų12869 Ų6956%0.55736%0.357SS*.Hα-helixtrans-71.5-14.3173.9-63.2175.4177.6-178.90113.9D17 Y22 R42D17-K19 PolarHBondContact O-N 2.88Å; D17-K19 VanDerWaalsContact OD1-CB 3.27Å; D17-K19 WeakPolarHBondContact OD1-CB 3.25Å; D17-K19 WeakPolarHBondContact OD1-CG 3.46Å; D17-K19 PolarHBondContact OD1-N 3.33Å; K19-Y22 CarbonylContact C-O 3.54Å; K19-Y22 VanDerWaalsContact O-O 3.09Å; K19-R42 PolarHBondContact O-NE 2.73Å; K19-R42 PolarHBondContact O-NH2 3.38Å
20E91.9Very high87.5Confident117 Ų11771.1 Ų71.155%0.54737%0.372SS..Hα-helixtrans-79.2-38.8175.5-67.3157.2178.600111.4N16 D17 P18 R42N16-E20 WeakPolarHBondContact CB-OE2 3.37Å; D17-E20 HydrophobicContact CB-CG 3.99Å; D17-E20 PolarHBondContact N-OE2 2.89Å; D17-E20 VanDerWaalsContact O-CB 3.29Å; D17-E20 WeakPolarHBondContact O-CB 3.49Å; D17-E20 PolarHBondContact O-N 3.07Å; P18-E20 PolarHBondContact O-N 3.44Å; E20-R42 WeakPolarHBondContact O-CD 3.39Å
21E92.8Very high86.2Confident28 Ų2867.5 Ų67.513%0.13137%0.369CS..Hα-helixtrans-86.1-33.7175.4-75.7-176-13600113K14 H41 R42 Y86K14-E21 IonicContact NZ-OE1 3.39Å; K14-E21 PolarHBondContact NZ-OE1 3.38Å; K14-E21 IonicContact NZ-OE2 2.96Å; K14-E21 PolarHBondContact NZ-OE2 3.01Å; E21-H41 IonicContact OE2-NE2 3.73Å; E21-R42 WeakPolarHBondContact O-CB 3.36Å; E21-R42 WeakPolarHBondContact O-CG 3.45Å; E21-R42 PolarHBondContact O-N 3.17Å; E21-Y86 VanDerWaalsContact CD-OH 3.28Å; E21-Y86 PolarHBondContact OE1-OH 2.88Å; E21-Y86 PolarHBondContact OE2-OH 3.31Å
22Y94.5Very high84.7Confident5 Ų565.2 Ų65.22%0.0237%0.365CS..EExtended strand (participates in β ladder)trans-121.3149.8-171.5-54.7-84.2000113.3P18 K19 V40 H41 R42 V48 Y86 C95P18-Y22 WeakPolarHBondContact O-CB 3.21Å; P18-Y22 WeakPolarHBondContact O-CD2 3.38Å; P18-Y22 PolarHBondContact O-N 3.2Å; K19-Y22 CarbonylContact C-O 3.54Å; K19-Y22 VanDerWaalsContact O-O 3.09Å; Y22-V40 CarbonylContact C-O 3.55Å; Y22-V40 WeakPolarHBondContact CA-O 3.26Å; Y22-H41 HydrophobicContact CD1-CB 4.12Å; Y22-H41 HydrophobicContact CE1-CB 3.91Å; Y22-H41 AromaticContact CE1-CD2 3.41Å; Y22-H41 VanDerWaalsContact CE1-CD2 3.41Å; Y22-H41 WeakPolarHBondContact CE1-CD2 3.41Å; Y22-H41 AromaticContact CE1-CG 3.91Å; Y22-H41 AromaticContact CZ-CD2 3.62Å; Y22-H41 PolarHBondContact OH-CD2 3.26Å; Y22-R42 PolarHBondContact O-NE 3.45Å; Y22-R42 VanDerWaalsContact O-NE 3.11Å; Y22-V48 HydrophobicContact CD1-CG2 3.54Å; Y22-V48 HydrophobicContact CE1-CG1 4.23Å; Y22-V48 HydrophobicContact CE1-CG2 3.84Å; Y22-Y86 AromaticContact CE2-CE2 3.99Å; Y22-Y86 HydrophobicContact CE2-CE2 3.99Å; Y22-Y86 AromaticContact CE2-CZ 3.81Å; Y22-Y86 WeakPolarHBondContact CE2-OH 3.45Å; Y22-C95 HydrophobicContact CE1-CB 4.31Å; Y22-C95 HydrophobicContact CE2-CB 4.3Å
23K94.7Very high83.7Confident126 Ų12665.6 Ų65.655%0.54837%0.365SS..EExtended strand (participates in β ladder)trans-115.9110.9166.3-177.8-175.7177.5-176.50108.8A39 V40 R42K23-A39 CarbonylContact O-C 3.55Å; K23-A39 WeakPolarHBondContact O-CA 3.42Å; K23-A39 WeakPolarHBondContact O-CB 3.4Å; K23-V40 PolarHBondContact N-O 3.44Å; K23-V40 PolarHBondContact O-N 2.89Å; K23-R42 HydrophobicContact CB-CG 4.43Å
24I93.1Very high82.7Confident60 Ų6065.4 Ų65.431%0.30837%0.368SS..EExtended strand (participates in β ladder)trans-59.3137.9170.1-58.4-53000109.4F37 A39 V50 W93I24-F37 HydrophobicContact CD1-CB 3.97Å; I24-F37 HydrophobicContact CD1-CG 4.45Å; I24-F37 HydrophobicContact CG2-CB 4.02Å; I24-F37 HydrophobicContact CG2-CD1 3.86Å; I24-F37 HydrophobicContact CG2-CG 4.13Å; I24-A39 HydrophobicContact CD1-CB 3.87Å; I24-V50 HydrophobicContact CD1-CB 4.21Å; I24-V50 HydrophobicContact CD1-CG1 4.35Å; I24-V50 HydrophobicContact CD1-CG2 4.24Å; I24-W93 HydrophobicContact CD1-CZ3 3.94Å; I24-W93 HydrophobicContact CG1-CH2 4.38Å; I24-W93 HydrophobicContact CG1-CZ3 4.24Å
25L91.2Very high82.1Confident90 Ų9064.8 Ų64.847%0.47137%0.368SS..EExtended strand (participates in β ladder)trans-108.7-51.6175.5-61.1-173000112.1K38 V40 L47L25-K38 WeakPolarHBondContact CB-O 3.46Å; L25-K38 PolarHBondContact N-O 2.95Å; L25-V40 HydrophobicContact CD1-CG2 3.81Å; L25-V40 HydrophobicContact CD2-CG2 4.42Å; L25-V40 HydrophobicContact CG-CG2 4.26Å; L25-L47 HydrophobicContact CD1-CD2 4.03Å
26A88.9Confident82.1Confident43 Ų4360.9 Ų60.936%0.35534%0.342SS..EExtended strand (participates in β ladder)trans-160.6153.4-176.300000111.2F37 K38A26-F37 CarbonylContact O-C 3.53Å; A26-F37 WeakPolarHBondContact O-CA 3.34Å; A26-K38 PolarHBondContact N-O 3.3Å; A26-K38 PolarHBondContact O-N 2.99Å
27P86.1Confident82.2Confident97 Ų9759.2 Ų59.263%0.6333%0.331SS*.EExtended strand (participates in β ladder)trans-63.5147.3161.430.2-34.5000110F37P27-F37 HydrophobicContact CB-CD1 4.09Å; P27-F37 HydrophobicContact CB-CE1 4.08Å
28I83.1Confident82.5Confident65 Ų6560.5 Ų60.533%0.33334%0.335SS..EExtended strand (participates in β ladder)trans-131.4-13.617854.2173.9000114.2V36 K38 A49 Y98I28-V36 HydrophobicContact CD1-CG1 4.03Å; I28-V36 HydrophobicContact CG1-CB 4.3Å; I28-V36 HydrophobicContact CG1-CG1 3.97Å; I28-V36 VanDerWaalsContact CG1-O 3.29Å; I28-V36 WeakPolarHBondContact CG1-O 3.3Å; I28-V36 PolarHBondContact N-O 2.96Å; I28-K38 HydrophobicContact CD1-CB 4.23Å; I28-K38 HydrophobicContact CG2-CB 3.59Å; I28-K38 HydrophobicContact CG2-CD 4.49Å; I28-A49 HydrophobicContact CD1-CB 4.43Å; I28-Y98 HydrophobicContact CD1-CD2 4.02Å; I28-Y98 HydrophobicContact CD1-CE2 3.74Å
29G69.4Low82.8Confident37 Ų3760.5 Ų60.538%0.38134%0.335SS..EExtended strand (participates in β ladder)trans-178.9172.1174.900000109.9V36G29-V36 PolarHBondContact N-O 2.86Å; G29-V36 WeakPolarHBondContact O-CA 3.33Å; G29-V36 PolarHBondContact O-N 2.86Å; G29-V36 VanDerWaalsContact O-O 3.13Å
30S66.5Low83Confident46 Ų4656 Ų5632%0.32232%0.318SS..EExtended strand (participates in β ladder)trans-157.1160.6176.453.50000108.5E695S30-E695 WeakPolarHBondContact CB-O 3.3Å; S30-E695 VanDerWaalsContact OG-C 3.24Å; S30-E695 WeakPolarHBondContact OG-CA 3.34Å; S30-E695 PolarHBondContact OG-O 2.95Å
31G60.1Low83.2Confident35 Ų3550.5 Ų50.536%0.36129%0.292SS..EExtended strand (participates in β ladder)trans-169.3-170.1-178.900000112.8Y33 G34G31-Y33 PolarHBondContact O-N 3.28Å; G31-G34 PolarHBondContact N-O 2.96Å; G31-G34 VanDerWaalsContact N-O 3.08Å; G31-G34 PolarHBondContact O-N 3.39Å
32T54.2Low83.2Confident97 Ų9755.5 Ų55.560%0.59531%0.31SS*.THydrogen-bonded Turntrans-54.1-11.5-17243.40000116.8L697T32-L697 HydrophobicContact CG2-CD1 3.71Å
33Y61.3Low83.1Confident84 Ų8462.4 Ų62.433%0.32934%0.343SS..THydrogen-bonded Turntrans-118.8-11.5-178.6-52.7-64.8000113.5G31 M53 A165G31-Y33 PolarHBondContact O-N 3.28Å; Y33-M53 WeakPolarHBondContact O-CA 3.34Å; Y33-M53 WeakPolarHBondContact O-CB 3.31Å; Y33-M53 WeakPolarHBondContact O-CG 3.44Å; Y33-A165 HydrophobicContact CD2-CB 4.24Å; Y33-A165 HydrophobicContact CE1-CB 4.09Å; Y33-A165 HydrophobicContact CE2-CB 3.36Å; Y33-A165 VanDerWaalsContact OH-CB 3.3Å; Y33-A165 WeakPolarHBondContact OH-CB 3.49Å; Y33-A165 PolarHBondContact OH-O 2.85Å
34G68.5Low83Confident17 Ų1763.7 Ų63.718%0.17534%0.344CS..EExtended strand (participates in β ladder)trans145.7-174.8178.600000114.7G31 V52G31-G34 PolarHBondContact N-O 2.96Å; G31-G34 VanDerWaalsContact N-O 3.08Å; G31-G34 PolarHBondContact O-N 3.39Å; G34-V52 WeakPolarHBondContact CA-O 3.28Å
35D80.4Confident82.9Confident62 Ų6271.1 Ų71.133%0.33237%0.368SS..EExtended strand (participates in β ladder)trans-86.3147.5-175.6-52.7-55.2000111.6F37 K51 V52D35-F37 HydrophobicContact CB-CD2 4.37Å; D35-F37 HydrophobicContact CB-CE2 3.52Å; D35-F37 HydrophobicContact CB-CZ 3.8Å; D35-K51 CarbonylContact O-C 3.59Å; D35-K51 WeakPolarHBondContact O-CA 3.31Å; D35-V52 PolarHBondContact N-O 3.37Å; D35-V52 VanDerWaalsContact N-O 3.12Å; D35-V52 PolarHBondContact O-N 3Å
36V87.4Confident83Confident35 Ų3569.9 Ų69.921%0.21237%0.365CS..EExtended strand (participates in β ladder)trans-119.2125.2175.1-168.90000110.2I28 G29 A49 V50 K51I28-V36 HydrophobicContact CD1-CG1 4.03Å; I28-V36 HydrophobicContact CG1-CB 4.3Å; I28-V36 HydrophobicContact CG1-CG1 3.97Å; I28-V36 VanDerWaalsContact CG1-O 3.29Å; I28-V36 WeakPolarHBondContact CG1-O 3.3Å; I28-V36 PolarHBondContact N-O 2.96Å; G29-V36 PolarHBondContact N-O 2.86Å; G29-V36 WeakPolarHBondContact O-CA 3.33Å; G29-V36 PolarHBondContact O-N 2.86Å; G29-V36 VanDerWaalsContact O-O 3.13Å; V36-A49 HydrophobicContact CG1-CB 4.32Å; V36-V50 WeakPolarHBondContact CA-O 3.34Å; V36-K51 HydrophobicContact CG2-CB 4.39Å; V36-K51 HydrophobicContact CG2-CG 4.13Å
37F92.1Very high83.3Confident48 Ų4871.1 Ų71.121%0.21137%0.365CS..EExtended strand (participates in β ladder)trans-114.5142-178.8-59.5-89.1000112.1I24 A26 P27 D35 A49 V50 V52I24-F37 HydrophobicContact CD1-CB 3.97Å; I24-F37 HydrophobicContact CD1-CG 4.45Å; I24-F37 HydrophobicContact CG2-CB 4.02Å; I24-F37 HydrophobicContact CG2-CD1 3.86Å; I24-F37 HydrophobicContact CG2-CG 4.13Å; A26-F37 CarbonylContact O-C 3.53Å; A26-F37 WeakPolarHBondContact O-CA 3.34Å; P27-F37 HydrophobicContact CB-CD1 4.09Å; P27-F37 HydrophobicContact CB-CE1 4.08Å; D35-F37 HydrophobicContact CB-CD2 4.37Å; D35-F37 HydrophobicContact CB-CE2 3.52Å; D35-F37 HydrophobicContact CB-CZ 3.8Å; F37-A49 CarbonylContact O-C 3.59Å; F37-A49 WeakPolarHBondContact O-CA 3.22Å; F37-V50 PolarHBondContact N-O 2.95Å; F37-V50 PolarHBondContact O-N 2.78Å; F37-V52 HydrophobicContact CD2-CB 4.5Å; F37-V52 HydrophobicContact CD2-CG2 3.87Å; F37-V52 HydrophobicContact CE2-CB 4.14Å; F37-V52 HydrophobicContact CE2-CG2 3.92Å
38K94.7Very high83.8Confident50 Ų5066.5 Ų66.522%0.21734%0.335CS..EExtended strand (participates in β ladder)trans-77.2131.3161.3-174.8172.1-168.9162.90108.5L25 A26 I28 L47 Y98L25-K38 WeakPolarHBondContact CB-O 3.46Å; L25-K38 PolarHBondContact N-O 2.95Å; A26-K38 PolarHBondContact N-O 3.3Å; A26-K38 PolarHBondContact O-N 2.99Å; I28-K38 HydrophobicContact CD1-CB 4.23Å; I28-K38 HydrophobicContact CG2-CB 3.59Å; I28-K38 HydrophobicContact CG2-CD 4.49Å; K38-L47 HydrophobicContact CD-CD2 4.43Å; K38-L47 HydrophobicContact CG-CD2 4.17Å; K38-Y98 HydrophobicContact CB-CD2 4.49Å; K38-Y98 HydrophobicContact CB-CE2 4.18Å; K38-Y98 HydrophobicContact CD-CD2 4.4Å; K38-Y98 HydrophobicContact CD-CE1 4.16Å; K38-Y98 HydrophobicContact CD-CE2 3.74Å; K38-Y98 VanDerWaalsContact CE-CE1 3.42Å; K38-Y98 HydrophobicContact CG-CD2 4.08Å; K38-Y98 HydrophobicContact CG-CE2 3.86Å; K38-Y98 PolarHBondContact NZ-OH 3.34Å
39A96.2Very high84.3Confident0 Ų063.8 Ų63.80%032%0.322CS..EExtended strand (participates in β ladder)trans-138.6169.117900000111.2K23 I24 L47 V48 V50K23-A39 CarbonylContact O-C 3.55Å; K23-A39 WeakPolarHBondContact O-CA 3.42Å; K23-A39 WeakPolarHBondContact O-CB 3.4Å; I24-A39 HydrophobicContact CD1-CB 3.87Å; A39-L47 WeakPolarHBondContact O-CA 3.15Å; A39-V48 HydrophobicContact CB-CG2 3.81Å; A39-V48 PolarHBondContact N-O 3.17Å; A39-V48 PolarHBondContact O-N 3.46Å; A39-V50 HydrophobicContact CB-CG2 3.69Å
40V96.5Very high85.4Confident34 Ų3462 Ų6221%0.20630%0.304CS..EExtended strand (participates in β ladder)trans-113.2131.3168.8168.70000109Y22 K23 L25 R42 T46 L47Y22-V40 CarbonylContact C-O 3.55Å; Y22-V40 WeakPolarHBondContact CA-O 3.26Å; K23-V40 PolarHBondContact N-O 3.44Å; K23-V40 PolarHBondContact O-N 2.89Å; L25-V40 HydrophobicContact CD1-CG2 3.81Å; L25-V40 HydrophobicContact CD2-CG2 4.42Å; L25-V40 HydrophobicContact CG-CG2 4.26Å; V40-R42 PolarHBondContact O-N 3.11Å; V40-T46 WeakPolarHBondContact CA-O 3.24Å; V40-L47 HydrophobicContact CG2-CD2 3.85Å
41H95.4Very high86.5Confident1 Ų160.4 Ų60.41%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-70.6118.3164.7-171.5-55.6000108.6E21 Y22 E43 R44 R45 T46 V48E21-H41 IonicContact OE2-NE2 3.73Å; Y22-H41 HydrophobicContact CD1-CB 4.12Å; Y22-H41 HydrophobicContact CE1-CB 3.91Å; Y22-H41 AromaticContact CE1-CD2 3.41Å; Y22-H41 VanDerWaalsContact CE1-CD2 3.41Å; Y22-H41 WeakPolarHBondContact CE1-CD2 3.41Å; Y22-H41 AromaticContact CE1-CG 3.91Å; Y22-H41 AromaticContact CZ-CD2 3.62Å; Y22-H41 PolarHBondContact OH-CD2 3.26Å; H41-E43 IonicContact CE1-OE2 2.87Å; H41-E43 PolarHBondContact CE1-OE2 3.25Å; H41-E43 PolarHBondContact ND1-N 3.09Å; H41-E43 PolarHBondContact O-N 2.57Å; H41-R44 HydrophobicContact CB-CB 4.46Å; H41-R44 PolarHBondContact CD2-NH1 2.95Å; H41-R44 PolarHBondContact NE2-NH1 3.04Å; H41-R45 VanDerWaalsContact O-CA 3.26Å; H41-R45 WeakPolarHBondContact O-CA 3.34Å; H41-R45 PolarHBondContact O-N 2.89Å; H41-T46 PolarHBondContact N-O 3.44Å; H41-V48 HydrophobicContact CB-CG1 4.17Å
42R92.8Very high87.9Confident133 Ų13359.1 Ų59.150%0.50228%0.276SS..THydrogen-bonded Turntrans-59.6-46.2-167-71.7159.7172-96.317113.4K19 E20 E21 Y22 K23 V40K19-R42 PolarHBondContact O-NE 2.73Å; K19-R42 PolarHBondContact O-NH2 3.38Å; E20-R42 WeakPolarHBondContact O-CD 3.39Å; E21-R42 WeakPolarHBondContact O-CB 3.36Å; E21-R42 WeakPolarHBondContact O-CG 3.45Å; E21-R42 PolarHBondContact O-N 3.17Å; Y22-R42 PolarHBondContact O-NE 3.45Å; Y22-R42 VanDerWaalsContact O-NE 3.11Å; K23-R42 HydrophobicContact CB-CG 4.43Å; V40-R42 PolarHBondContact O-N 3.11Å
43E91.8Very high89.3Confident150 Ų15055 Ų5570%0.70125%0.251SS*.THydrogen-bonded Turntrans-69.1-60.6178.6-55.1174.5148.700112.5H41 R45H41-E43 IonicContact CE1-OE2 2.87Å; H41-E43 PolarHBondContact CE1-OE2 3.25Å; H41-E43 PolarHBondContact ND1-N 3.09Å; H41-E43 PolarHBondContact O-N 2.57Å; E43-R45 PolarHBondContact O-N 3.22Å
44R92.3Very high90.3Very high153 Ų15359.2 Ų59.258%0.57727%0.271SS*.THydrogen-bonded Turntrans-69.5-15-175.3-57.5-169.6-172.487.925.6113.9H41 T46H41-R44 HydrophobicContact CB-CB 4.46Å; H41-R44 PolarHBondContact CD2-NH1 2.95Å; H41-R44 PolarHBondContact NE2-NH1 3.04Å; R44-T46 HydrophobicContact CB-CG2 4.25Å; R44-T46 PolarHBondContact O-N 2.47Å
45R92Very high90.8Very high216 Ų21658.9 Ų58.982%0.81527%0.265SS*.  trans56.312.9-174.1-56.9-176.6-180-171.50.1115H41 E43H41-R45 VanDerWaalsContact O-CA 3.26Å; H41-R45 WeakPolarHBondContact O-CA 3.34Å; H41-R45 PolarHBondContact O-N 2.89Å; E43-R45 PolarHBondContact O-N 3.22Å
46T93.7Very high90.6Very high65 Ų6559 Ų5940%0.39927%0.265SS..  trans-80.1150.5177.553.70000112V40 H41 R44V40-T46 WeakPolarHBondContact CA-O 3.24Å; H41-T46 PolarHBondContact N-O 3.44Å; R44-T46 HydrophobicContact CB-CG2 4.25Å; R44-T46 PolarHBondContact O-N 2.47Å
47L95.3Very high89.8Confident69 Ų6961.2 Ų61.236%0.36128%0.275SS..EExtended strand (participates in β ladder)trans-73.9139.4169.6-71171.8000110.6L25 K38 A39 V40 Y98L25-L47 HydrophobicContact CD1-CD2 4.03Å; K38-L47 HydrophobicContact CD-CD2 4.43Å; K38-L47 HydrophobicContact CG-CD2 4.17Å; A39-L47 WeakPolarHBondContact O-CA 3.15Å; V40-L47 HydrophobicContact CG2-CD2 3.85Å; L47-Y98 HydrophobicContact CB-CD1 3.92Å; L47-Y98 HydrophobicContact CB-CG 4.14Å; L47-Y98 HydrophobicContact CD1-CD1 3.97Å; L47-Y98 HydrophobicContact CD1-CE1 4.17Å
48V96.1Very high88.9Confident0 Ų066 Ų660%030%0.296CS..EExtended strand (participates in β ladder)trans-137.2155.3177.1-49.30000109.9Y22 A39 H41 V50 Y83 M96Y22-V48 HydrophobicContact CD1-CG2 3.54Å; Y22-V48 HydrophobicContact CE1-CG1 4.23Å; Y22-V48 HydrophobicContact CE1-CG2 3.84Å; A39-V48 HydrophobicContact CB-CG2 3.81Å; A39-V48 PolarHBondContact N-O 3.17Å; A39-V48 PolarHBondContact O-N 3.46Å; H41-V48 HydrophobicContact CB-CG1 4.17Å; V48-V50 HydrophobicContact CG2-CG2 3.92Å; V48-Y83 HydrophobicContact CB-CD2 4.29Å; V48-Y83 HydrophobicContact CB-CE2 4.14Å; V48-Y83 HydrophobicContact CG1-CD2 3.91Å; V48-Y83 HydrophobicContact CG1-CE2 3.63Å; V48-M96 CarbonylContact C-O 3.59Å; V48-M96 WeakPolarHBondContact CA-O 3.45Å; V48-M96 WeakPolarHBondContact CB-O 3.25Å
49A93.8Very high87.7Confident8 Ų864.7 Ų64.77%0.06629%0.292CS..EExtended strand (participates in β ladder)trans-95.7143.6165.100000109.8I28 V36 F37 C95 M96I28-A49 HydrophobicContact CD1-CB 4.43Å; V36-A49 HydrophobicContact CG1-CB 4.32Å; F37-A49 CarbonylContact O-C 3.59Å; F37-A49 WeakPolarHBondContact O-CA 3.22Å; A49-C95 WeakPolarHBondContact O-CA 3.34Å; A49-M96 HydrophobicContact CB-CG 3.82Å; A49-M96 PolarHBondContact N-O 3.28Å; A49-M96 PolarHBondContact O-N 2.95Å
50V92.9Very high86.5Confident0 Ų067 Ų670%030%0.304CS..EExtended strand (participates in β ladder)trans-131.4106.7-179-176.60000108.7I24 V36 F37 A39 V48 V52 W93 I94I24-V50 HydrophobicContact CD1-CB 4.21Å; I24-V50 HydrophobicContact CD1-CG1 4.35Å; I24-V50 HydrophobicContact CD1-CG2 4.24Å; V36-V50 WeakPolarHBondContact CA-O 3.34Å; F37-V50 PolarHBondContact N-O 2.95Å; F37-V50 PolarHBondContact O-N 2.78Å; A39-V50 HydrophobicContact CB-CG2 3.69Å; V48-V50 HydrophobicContact CG2-CG2 3.92Å; V50-V52 HydrophobicContact CG1-CG2 3.95Å; V50-W93 HydrophobicContact CG1-CD2 4.32Å; V50-W93 HydrophobicContact CG1-CE3 3.49Å; V50-W93 VanDerWaalsContact CG1-CE3 3.49Å; V50-W93 HydrophobicContact CG1-CZ3 4.03Å; V50-I94 CarbonylContact C-O 3.46Å; V50-I94 WeakPolarHBondContact CA-O 3.14Å
51K89.2Confident85.7Confident12 Ų1265.8 Ų65.85%0.05230%0.296CS..EExtended strand (participates in β ladder)trans-87.1129.4174.6-170.1175.6-165.2178.70109.3D35 V36 M53 W93 I94 M96 D161D35-K51 CarbonylContact O-C 3.59Å; D35-K51 WeakPolarHBondContact O-CA 3.31Å; V36-K51 HydrophobicContact CG2-CB 4.39Å; V36-K51 HydrophobicContact CG2-CG 4.13Å; K51-M53 HydrophobicContact CD-SD 3.93Å; K51-M53 HydrophobicContact CG-CG 4.02Å; K51-M53 HydrophobicContact CG-SD 4.08Å; K51-W93 CarbonylContact O-C 3.58Å; K51-W93 WeakPolarHBondContact O-CA 3.43Å; K51-I94 HydrophobicContact CB-CB 4.4Å; K51-I94 PolarHBondContact N-O 3Å; K51-I94 PolarHBondContact O-N 2.84Å; K51-M96 HydrophobicContact CB-CE 4.12Å; K51-D161 IonicContact NZ-OD1 3.42Å; K51-D161 PolarHBondContact NZ-OD1 3.05Å; K51-D161 IonicContact NZ-OD2 3.71Å; K51-D161 PolarHBondContact NZ-OD2 3.4Å
52V88.6Confident84.7Confident8 Ų874.2 Ų74.25%0.04833%0.328CS..EExtended strand (participates in β ladder)trans-125.7112.4-173.4-176.10000109.6G34 D35 F37 V50 K91 L92 W93G34-V52 WeakPolarHBondContact CA-O 3.28Å; D35-V52 PolarHBondContact N-O 3.37Å; D35-V52 VanDerWaalsContact N-O 3.12Å; D35-V52 PolarHBondContact O-N 3Å; F37-V52 HydrophobicContact CD2-CB 4.5Å; F37-V52 HydrophobicContact CD2-CG2 3.87Å; F37-V52 HydrophobicContact CE2-CB 4.14Å; F37-V52 HydrophobicContact CE2-CG2 3.92Å; V50-V52 HydrophobicContact CG1-CG2 3.95Å; V52-K91 HydrophobicContact CG1-CB 3.97Å; V52-K91 HydrophobicContact CG1-CD 3.83Å; V52-K91 HydrophobicContact CG1-CG 4.45Å; V52-L92 WeakPolarHBondContact CA-O 3.34Å; V52-W93 HydrophobicContact CG1-CD2 4.48Å; V52-W93 HydrophobicContact CG1-CG 4.49Å; V52-W93 HydrophobicContact CG2-CD2 3.84Å; V52-W93 HydrophobicContact CG2-CE3 4.1Å; V52-W93 HydrophobicContact CG2-CG 4.18Å; V52-W93 HydrophobicContact CG2-CZ2 4.39Å; V52-W93 HydrophobicContact CG2-CZ3 4.47Å
53M83.5Confident83.4Confident11 Ų1168.4 Ų68.45%0.05431%0.308CS..EExtended strand (participates in β ladder)trans-119.5126.6-167.4-50.5-164-57.700109.8Y33 K51 I55 K91 L92 I94Y33-M53 WeakPolarHBondContact O-CA 3.34Å; Y33-M53 WeakPolarHBondContact O-CB 3.31Å; Y33-M53 WeakPolarHBondContact O-CG 3.44Å; K51-M53 HydrophobicContact CD-SD 3.93Å; K51-M53 HydrophobicContact CG-CG 4.02Å; K51-M53 HydrophobicContact CG-SD 4.08Å; M53-I55 HydrophobicContact CB-CD1 4.49Å; M53-K91 CarbonylContact O-C 3.53Å; M53-K91 VanDerWaalsContact O-CA 3.27Å; M53-K91 WeakPolarHBondContact O-CA 2.98Å; M53-L92 HydrophobicContact CE-CD2 3.79Å; M53-L92 HydrophobicContact CE-CG 4.39Å; M53-L92 PolarHBondContact N-O 3.13Å; M53-L92 PolarHBondContact O-N 2.89Å; M53-I94 HydrophobicContact CE-CD1 3.63Å; M53-I94 HydrophobicContact CE-CG1 4.48Å
54K82.2Confident82.7Confident172 Ų17261.5 Ų61.575%0.74828%0.276SS*.EExtended strand (participates in β ladder)trans-78.7124176.3-178.2-174.8178.3-175.70108.8
55I80.3Confident82.1Confident10 Ų1054.4 Ų54.45%0.05125%0.249CC..PPolyproline II helixtrans-96.6125.2179.2-51.2-49.9000109.7L6 L9 M53 I61 I64 N90 L92L6-I55 HydrophobicContact CD2-CB 4.42Å; L6-I55 HydrophobicContact CD2-CG2 3.97Å; L9-I55 HydrophobicContact CD2-CG1 4.38Å; M53-I55 HydrophobicContact CB-CD1 4.49Å; I55-I61 HydrophobicContact CG2-CD1 3.53Å; I55-I64 HydrophobicContact CD1-CD1 4.05Å; I55-I64 HydrophobicContact CG2-CD1 4.49Å; I55-N90 PolarHBondContact N-O 3.45Å; I55-L92 HydrophobicContact CD1-CB 3.88Å; I55-L92 HydrophobicContact CD1-CD2 4.35Å; I55-L92 HydrophobicContact CG1-CB 3.91Å
56D76.1Confident81Confident63 Ų6348 Ų4834%0.33723%0.229SC..PPolyproline II helixtrans-95.8152.7174.8-168.5-47000110.1K58 D59D56-K58 HydrophobicContact CB-CD 4.27Å; D56-K58 HydrophobicContact CB-CG 4.03Å; D56-K58 PolarHBondContact O-N 3.21Å; D56-K58 WeakPolarHBondContact OD1-CG 3.11Å; D56-K58 PolarHBondContact OD1-N 3.02Å; D56-K58 WeakPolarHBondContact OD2-CD 3.47Å; D56-K58 VanDerWaalsContact OD2-CE 3.25Å; D56-K58 WeakPolarHBondContact OD2-CE 3.34Å; D56-K58 IonicContact OD2-NZ 3.82Å; D56-K58 PolarHBondContact OD2-NZ 2.72Å; D56-D59 PolarHBondContact N-OD2 3.49Å; D56-D59 WeakPolarHBondContact O-CB 3.35Å; D56-D59 PolarHBondContact O-N 3.47Å; D56-D59 VanDerWaalsContact O-N 3.17Å
57L71.4Confident79.9Confident82 Ų8245.9 Ų45.943%0.42921%0.214SC..THydrogen-bonded Turntrans-67.4-19.3177.6-57.6-175.9000112.4H3 K5 L6 D59H3-L57 HydrophobicContact CB-CD2 4.45Å; K5-L57 WeakPolarHBondContact CD-O 3.2Å; K5-L57 WeakPolarHBondContact CE-O 3.35Å; K5-L57 PolarHBondContact NZ-O 3.43Å; L6-L57 HydrophobicContact CD1-CD2 4.33Å; L57-D59 VanDerWaalsContact C-N 3.33Å
58K72Confident79.2Confident148 Ų14842.8 Ų42.864%0.64320%0.198SC*.THydrogen-bonded Turntrans-73.2-21.5173.176.5-156.8177.3-145.40113.8D56D56-K58 HydrophobicContact CB-CD 4.27Å; D56-K58 HydrophobicContact CB-CG 4.03Å; D56-K58 PolarHBondContact O-N 3.21Å; D56-K58 WeakPolarHBondContact OD1-CG 3.11Å; D56-K58 PolarHBondContact OD1-N 3.02Å; D56-K58 WeakPolarHBondContact OD2-CD 3.47Å; D56-K58 VanDerWaalsContact OD2-CE 3.25Å; D56-K58 WeakPolarHBondContact OD2-CE 3.34Å; D56-K58 IonicContact OD2-NZ 3.82Å; D56-K58 PolarHBondContact OD2-NZ 2.72Å
59D68.8Low78.4Confident24 Ų2446.2 Ų46.213%0.12821%0.214CC..SBendtrans-67.8153.6-170.5-59.1-20.1000112.7K5 D56 L57 I61 I64K5-D59 PolarHBondContact NZ-O 3.13Å; D56-D59 PolarHBondContact N-OD2 3.49Å; D56-D59 WeakPolarHBondContact O-CB 3.35Å; D56-D59 PolarHBondContact O-N 3.47Å; D56-D59 VanDerWaalsContact O-N 3.17Å; L57-D59 VanDerWaalsContact C-N 3.33Å; D59-I61 HydrophobicContact CB-CD1 4.42Å; D59-I61 PolarHBondContact O-N 3.16Å; D59-I64 HydrophobicContact CB-CD1 4.24Å
60D72.5Confident77.4Confident49 Ų4946.5 Ų46.526%0.26222%0.215SC..  trans-84.889.7172-174.511000110.6R62 S63 I64 L168D60-R62 PolarHBondContact O-N 3.39Å; D60-R62 VanDerWaalsContact O-N 3.15Å; D60-R62 WeakPolarHBondContact OD1-CB 3.47Å; D60-R62 PolarHBondContact OD1-N 3.07Å; D60-R62 VanDerWaalsContact OD1-N 3.08Å; D60-R62 IonicContact OD1-NE 3.66Å; D60-S63 VanDerWaalsContact O-CB 3.22Å; D60-S63 WeakPolarHBondContact O-CB 3.35Å; D60-S63 PolarHBondContact O-N 2.82Å; D60-I64 PolarHBondContact O-N 3.2Å; D60-L168 HydrophobicContact CB-CD2 4.33Å
61I78.8Confident76.8Confident8 Ų847.1 Ų47.14%0.04122%0.218CC..Hα-helixtrans-56.4-29177.3-53.6-50.9000112.6K5 Y8 L9 I55 D59 S63 I64 C65K5-I61 HydrophobicContact CB-CG1 3.93Å; K5-I61 HydrophobicContact CD-CG1 4.2Å; K5-I61 HydrophobicContact CG-CG1 4.37Å; Y8-I61 HydrophobicContact CD1-CG2 4.05Å; L9-I61 HydrophobicContact CB-CG2 3.71Å; L9-I61 HydrophobicContact CD1-CG2 4.27Å; L9-I61 HydrophobicContact CG-CG2 4.38Å; I55-I61 HydrophobicContact CG2-CD1 3.53Å; D59-I61 HydrophobicContact CB-CD1 4.42Å; D59-I61 PolarHBondContact O-N 3.16Å; I61-S63 VanDerWaalsContact C-N 3.34Å; I61-I64 HydrophobicContact CD1-CD1 4.05Å; I61-I64 PolarHBondContact O-N 3.32Å; I61-C65 PolarHBondContact O-N 2.88Å; I61-C65 PolarHBondContact O-SG 3.39Å; I61-C65 VanDerWaalsContact O-SG 3.33Å
62R74.1Confident76.6Confident177 Ų17753.5 Ų53.567%0.66824%0.242SC*.Hα-helixtrans-68.2-36.4177.5-68.1-179.8-63.2178.8-0.6111.5Y8 D60 Q66Y8-R62 HydrophobicContact CE1-CG 4.14Å; D60-R62 PolarHBondContact O-N 3.39Å; D60-R62 VanDerWaalsContact O-N 3.15Å; D60-R62 WeakPolarHBondContact OD1-CB 3.47Å; D60-R62 PolarHBondContact OD1-N 3.07Å; D60-R62 VanDerWaalsContact OD1-N 3.08Å; D60-R62 IonicContact OD1-NE 3.66Å; R62-Q66 WeakPolarHBondContact O-CB 3.43Å; R62-Q66 PolarHBondContact O-N 3.34Å
63S66.5Low76.4Confident12 Ų1257.5 Ų57.58%0.08426%0.26CS..Hα-helixtrans-56.7-51.4168.1-110.80000110.5D60 I61 C65 Q66 E67 V164D60-S63 VanDerWaalsContact O-CB 3.22Å; D60-S63 WeakPolarHBondContact O-CB 3.35Å; D60-S63 PolarHBondContact O-N 2.82Å; I61-S63 VanDerWaalsContact C-N 3.34Å; S63-C65 PolarHBondContact O-N 3.49Å; S63-Q66 CarbonylContact O-C 3.58Å; S63-Q66 WeakPolarHBondContact O-CA 3.5Å; S63-Q66 WeakPolarHBondContact O-CB 3.43Å; S63-Q66 PolarHBondContact O-N 2.94Å; S63-E67 PolarHBondContact O-N 3.05Å; S63-V164 WeakPolarHBondContact O-CG1 3.27Å
64I76.4Confident76.4Confident4 Ų457 Ų572%0.02126%0.258CS..Hα-helixtrans-62.2-43-178.2-64.6162000112.1L9 I55 D59 D60 I61 Q66 E67 I68 L92 L168L9-I64 HydrophobicContact CD1-CG2 3.94Å; L9-I64 HydrophobicContact CD2-CG2 4.48Å; I55-I64 HydrophobicContact CD1-CD1 4.05Å; I55-I64 HydrophobicContact CG2-CD1 4.49Å; D59-I64 HydrophobicContact CB-CD1 4.24Å; D60-I64 PolarHBondContact O-N 3.2Å; I61-I64 HydrophobicContact CD1-CD1 4.05Å; I61-I64 PolarHBondContact O-N 3.32Å; I64-Q66 VanDerWaalsContact C-N 3.29Å; I64-Q66 PolarHBondContact O-N 2.71Å; I64-E67 WeakPolarHBondContact O-CB 3.25Å; I64-E67 PolarHBondContact O-N 3.15Å; I64-I68 HydrophobicContact CG2-CD1 4.17Å; I64-I68 WeakPolarHBondContact O-CG1 3.39Å; I64-I68 PolarHBondContact O-N 3.44Å; I64-L92 HydrophobicContact CG2-CD2 3.42Å; I64-L92 VanDerWaalsContact CG2-CD2 3.42Å; I64-L168 HydrophobicContact CD1-CD2 4.37Å; I64-L168 HydrophobicContact CG1-CD1 4.04Å; I64-L168 HydrophobicContact CG1-CD2 4.18Å
65C80.8Confident76.7Confident4 Ų456.4 Ų56.43%0.02725%0.251CS..Hα-helixtrans-62.2-37.8173.9-66.40000111.8Y8 F12 I61 S63 E67 I68 H69Y8-C65 HydrophobicContact CE1-CB 4.45Å; F12-C65 HydrophobicContact CD1-CB 4.07Å; F12-C65 HydrophobicContact CD2-CB 4Å; F12-C65 WeakPolarHBondContact CD2-SG 3.34Å; F12-C65 HydrophobicContact CE1-CB 4.25Å; F12-C65 HydrophobicContact CE2-CB 4.19Å; F12-C65 HydrophobicContact CG-CB 3.95Å; F12-C65 HydrophobicContact CZ-CB 4.3Å; I61-C65 PolarHBondContact O-N 2.88Å; I61-C65 PolarHBondContact O-SG 3.39Å; I61-C65 VanDerWaalsContact O-SG 3.33Å; S63-C65 PolarHBondContact O-N 3.49Å; C65-E67 VanDerWaalsContact C-N 3.34Å; C65-I68 PolarHBondContact O-N 2.86Å; C65-H69 WeakPolarHBondContact O-CB 3.35Å; C65-H69 PolarHBondContact O-N 2.78Å
66Q69.3Low77.4Confident82 Ų8258.1 Ų58.138%0.38326%0.259SS..Hα-helixtrans-68.1-32176-169.161.267.700112.3R62 S63 I64 H69 T70R62-Q66 WeakPolarHBondContact O-CB 3.43Å; R62-Q66 PolarHBondContact O-N 3.34Å; S63-Q66 CarbonylContact O-C 3.58Å; S63-Q66 WeakPolarHBondContact O-CA 3.5Å; S63-Q66 WeakPolarHBondContact O-CB 3.43Å; S63-Q66 PolarHBondContact O-N 2.94Å; I64-Q66 VanDerWaalsContact C-N 3.29Å; I64-Q66 PolarHBondContact O-N 2.71Å; Q66-H69 PolarHBondContact NE2-CD2 3.2Å; Q66-T70 VanDerWaalsContact O-CB 3.32Å; Q66-T70 WeakPolarHBondContact O-CB 3.21Å; Q66-T70 PolarHBondContact O-N 2.9Å; Q66-T70 PolarHBondContact O-OG1 2.92Å
67E69.4Low78.4Confident20 Ų2059.6 Ų59.69%0.09327%0.272CS..Hα-helixtrans-64.5-54.3171.4-164.8-172.8136.700111.1S63 I64 C65 H69 T70 L71 V164S63-E67 PolarHBondContact O-N 3.05Å; I64-E67 WeakPolarHBondContact O-CB 3.25Å; I64-E67 PolarHBondContact O-N 3.15Å; C65-E67 VanDerWaalsContact C-N 3.34Å; E67-H69 VanDerWaalsContact C-N 3.28Å; E67-H69 PolarHBondContact O-N 2.87Å; E67-T70 PolarHBondContact O-N 3.29Å; E67-L71 HydrophobicContact CG-CD1 4.16Å; E67-L71 PolarHBondContact O-N 2.99Å; E67-V164 HydrophobicContact CB-CB 3.87Å; E67-V164 HydrophobicContact CB-CG1 4.09Å; E67-V164 HydrophobicContact CB-CG2 3.7Å; E67-V164 HydrophobicContact CG-CB 3.91Å; E67-V164 HydrophobicContact CG-CG2 3.89Å
68I79.9Confident79.6Confident4 Ų456.2 Ų56.22%0.02125%0.254CS..Hα-helixtrans-56.9-43.5179.2-65.2166.3000110.8L9 V13 I64 C65 R72 F82 S85 L92L9-I68 HydrophobicContact CD1-CD1 3.84Å; V13-I68 HydrophobicContact CG1-CD1 4.07Å; I64-I68 HydrophobicContact CG2-CD1 4.17Å; I64-I68 WeakPolarHBondContact O-CG1 3.39Å; I64-I68 PolarHBondContact O-N 3.44Å; C65-I68 PolarHBondContact O-N 2.86Å; I68-R72 VanDerWaalsContact O-CB 3.3Å; I68-R72 WeakPolarHBondContact O-CB 3.39Å; I68-R72 PolarHBondContact O-N 2.88Å; I68-F82 HydrophobicContact CG2-CZ 4.27Å; I68-S85 WeakPolarHBondContact CG2-OG 3.09Å; I68-L92 HydrophobicContact CD1-CD1 3.94Å; I68-L92 HydrophobicContact CD1-CD2 3.98Å
69H80.4Confident80.7Confident73 Ų7349.2 Ų49.234%0.33822%0.223SC..Hα-helixtrans-64.8-42.5175.2174.376.5000111.9C65 Q66 E67 R72 E73 R139C65-H69 WeakPolarHBondContact O-CB 3.35Å; C65-H69 PolarHBondContact O-N 2.78Å; Q66-H69 PolarHBondContact NE2-CD2 3.2Å; E67-H69 VanDerWaalsContact C-N 3.28Å; E67-H69 PolarHBondContact O-N 2.87Å; H69-R72 PolarHBondContact O-N 2.66Å; H69-E73 WeakPolarHBondContact O-CG 3.42Å; H69-E73 PolarHBondContact O-N 2.9Å; H69-E73 VanDerWaalsContact O-N 3.11Å; H69-R139 PolarHBondContact CD2-NH2 3.43Å; H69-R139 PolarHBondContact NE2-NH2 3.47Å
70T73.2Confident81.8Confident14 Ų1448.3 Ų48.39%0.08622%0.219CC..Hα-helixtrans-64-45.7178.2-57.20000111.5Q66 E67 R72 E73 C74 R139Q66-T70 VanDerWaalsContact O-CB 3.32Å; Q66-T70 WeakPolarHBondContact O-CB 3.21Å; Q66-T70 PolarHBondContact O-N 2.9Å; Q66-T70 PolarHBondContact O-OG1 2.92Å; E67-T70 PolarHBondContact O-N 3.29Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 3.22Å; T70-E73 PolarHBondContact O-N 3.01Å; T70-C74 VanDerWaalsContact O-CB 3.25Å; T70-C74 WeakPolarHBondContact O-CB 3.38Å; T70-C74 PolarHBondContact O-N 2.83Å; T70-C74 PolarHBondContact O-SG 3.37Å; T70-R139 HydrophobicContact CG2-CB 4.31Å; T70-R139 HydrophobicContact CG2-CG 3.95Å
71L80.1Confident82.8Confident13 Ų1348.4 Ų48.47%0.06822%0.218CC..Hα-helixtrans-55.3-42.6172.7-82.5162.4000112.6E67 F82 I94 F162E67-L71 HydrophobicContact CG-CD1 4.16Å; E67-L71 PolarHBondContact O-N 2.99Å; L71-F82 HydrophobicContact CB-CB 4.18Å; L71-F82 HydrophobicContact CB-CD2 3.84Å; L71-F82 HydrophobicContact CB-CE2 4.41Å; L71-F82 HydrophobicContact CB-CG 4.08Å; L71-F82 HydrophobicContact CD1-CD2 4.44Å; L71-F82 WeakPolarHBondContact O-CB 3.16Å; L71-I94 HydrophobicContact CD1-CD1 4.13Å; L71-I94 HydrophobicContact CD1-CG2 4.07Å; L71-F162 HydrophobicContact CD2-CD2 3.62Å; L71-F162 HydrophobicContact CD2-CE2 3.84Å; L71-F162 HydrophobicContact CG-CD2 4.24Å
72R84.8Confident83.4Confident145 Ų14548.9 Ų48.955%0.54722%0.219SC..Hα-helixtrans-66.4-40-178.7176.7176.5171.7156.5-0.7113.3I68 H69 T70 F82I68-R72 VanDerWaalsContact O-CB 3.3Å; I68-R72 WeakPolarHBondContact O-CB 3.39Å; I68-R72 PolarHBondContact O-N 2.88Å; H69-R72 PolarHBondContact O-N 2.66Å; T70-R72 VanDerWaalsContact C-N 3.3Å; T70-R72 PolarHBondContact O-N 3.22Å; R72-F82 HydrophobicContact CB-CD1 4.04Å; R72-F82 HydrophobicContact CB-CE1 3.91Å; R72-F82 HydrophobicContact CG-CE1 4.32Å
73E83.5Confident84.2Confident92 Ų9244.7 Ų44.743%0.4320%0.204SC..Hα-helixtrans-81.5-22.7179.4-62-49.5123.700113.2H69 T70 R75H69-E73 WeakPolarHBondContact O-CG 3.42Å; H69-E73 PolarHBondContact O-N 2.9Å; H69-E73 VanDerWaalsContact O-N 3.11Å; T70-E73 PolarHBondContact O-N 3.01Å; E73-R75 PolarHBondContact O-N 2.97Å
74C83.2Confident85.4Confident1 Ų144.3 Ų44.31%0.00720%0.203CC..  trans-82.776.7-176.9-78.10000113.2T70 I79T70-C74 VanDerWaalsContact O-CB 3.25Å; T70-C74 WeakPolarHBondContact O-CB 3.38Å; T70-C74 PolarHBondContact O-N 2.83Å; T70-C74 PolarHBondContact O-SG 3.37Å; C74-I79 HydrophobicContact CB-CD1 4.25Å; C74-I79 HydrophobicContact CB-CG2 4.31Å; C74-I79 VanDerWaalsContact O-CG2 3.22Å; C74-I79 WeakPolarHBondContact O-CG2 3.36Å
75R90.3Very high86.1Confident160 Ų16044.4 Ų44.460%0.60420%0.203SC*.  trans-104.6105.5175.2-55.8-170.5-174-171.1-1.1112E73 F133E73-R75 PolarHBondContact O-N 2.97Å; R75-F133 VanDerWaalsContact O-CE2 3.32Å; R75-F133 WeakPolarHBondContact O-CE2 3.36Å; R75-F133 WeakPolarHBondContact O-CZ 3.32Å
76H94.8Very high86.7Confident46 Ų4644.2 Ų44.221%0.21320%0.202CC..  trans-149.3147.7179.6-170.1-103.6000110.1N78 I79 F133H76-N78 PolarHBondContact CE1-OD1 3.25Å; H76-N78 PolarHBondContact ND1-N 3.03Å; H76-N78 PolarHBondContact ND1-OD1 2.9Å; H76-N78 PolarHBondContact O-N 3Å; H76-N78 VanDerWaalsContact O-N 3.17Å; H76-I79 HydrophobicContact CB-CB 4.07Å; H76-I79 HydrophobicContact CB-CD1 3.88Å; H76-I79 HydrophobicContact CB-CG1 4.08Å; H76-I79 PolarHBondContact O-N 2.67Å; H76-F133 HydrophobicContact CB-CB 4.32Å; H76-F133 HydrophobicContact CB-CD1 3.86Å; H76-F133 HydrophobicContact CB-CD2 3.99Å; H76-F133 HydrophobicContact CB-CE1 4.15Å; H76-F133 HydrophobicContact CB-CE2 4.23Å; H76-F133 HydrophobicContact CB-CG 3.79Å; H76-F133 HydrophobicContact CB-CZ 4.32Å; H76-F133 AromaticContact CD2-CD2 3.36Å; H76-F133 WeakPolarHBondContact CD2-CD2 3.48Å; H76-F133 AromaticContact CD2-CG 3.62Å; H76-F133 AromaticContact CG-CD2 3.91Å; H76-F133 AromaticContact CG-CG 3.77Å
77P96.3Very high87.7Confident94 Ų9440.7 Ų40.761%0.6119%0.186SC*.THydrogen-bonded Turntrans-52-40.7179.6-30.537.6000113.8I79 K158P77-I79 VanDerWaalsContact C-N 3.34Å; P77-I79 PolarHBondContact O-N 2.87Å; P77-K158 WeakPolarHBondContact O-CD 3.5Å; P77-K158 WeakPolarHBondContact O-CE 3.41Å; P77-K158 PolarHBondContact O-NZ 3.17Å
78N97Very high88.5Confident10 Ų1044.7 Ų44.75%0.05320%0.2CC..THydrogen-bonded Turntrans-90.618.4180-4292.3000114.6H76 E126 Q129 V157 V159H76-N78 PolarHBondContact CE1-OD1 3.25Å; H76-N78 PolarHBondContact ND1-N 3.03Å; H76-N78 PolarHBondContact ND1-OD1 2.9Å; H76-N78 PolarHBondContact O-N 3Å; H76-N78 VanDerWaalsContact O-N 3.17Å; N78-E126 WeakPolarHBondContact CB-O 3.44Å; N78-E126 WeakPolarHBondContact ND2-CB 3.42Å; N78-E126 PolarHBondContact ND2-OE2 3.42Å; N78-Q129 PolarHBondContact OD1-OE1 3.4Å; N78-V157 VanDerWaalsContact CA-O 3.32Å; N78-V157 WeakPolarHBondContact CA-O 3.3Å; N78-V159 WeakPolarHBondContact O-CG2 3.47Å; N78-V159 PolarHBondContact O-N 3.4Å
79I94.2Very high88.8Confident1 Ų151.3 Ų51.31%0.00524%0.236CC..BIsolated β-bridgetrans-119.1143.3173.5-77.1175.4000108.5C74 H76 P77 Q81 F133 M134 K158 F162C74-I79 HydrophobicContact CB-CD1 4.25Å; C74-I79 HydrophobicContact CB-CG2 4.31Å; C74-I79 VanDerWaalsContact O-CG2 3.22Å; C74-I79 WeakPolarHBondContact O-CG2 3.36Å; H76-I79 HydrophobicContact CB-CB 4.07Å; H76-I79 HydrophobicContact CB-CD1 3.88Å; H76-I79 HydrophobicContact CB-CG1 4.08Å; H76-I79 PolarHBondContact O-N 2.67Å; P77-I79 VanDerWaalsContact C-N 3.34Å; P77-I79 PolarHBondContact O-N 2.87Å; I79-Q81 PolarHBondContact O-N 3.06Å; I79-Q81 VanDerWaalsContact O-N 3.17Å; I79-F133 HydrophobicContact CD1-CD1 3.84Å; I79-F133 HydrophobicContact CD1-CE1 4.36Å; I79-M134 HydrophobicContact CD1-CG 3.84Å; I79-M134 HydrophobicContact CD1-SD 4.48Å; I79-K158 WeakPolarHBondContact O-CD 3.23Å; I79-K158 PolarHBondContact O-NZ 2.87Å; I79-F162 HydrophobicContact CB-CZ 4.5Å; I79-F162 HydrophobicContact CG1-CZ 4.27Å; I79-F162 HydrophobicContact CG2-CE2 4.16Å; I79-F162 HydrophobicContact CG2-CZ 3.72Å
80V93.1Very high88.9Confident5 Ų551.1 Ų51.13%0.0324%0.237CC..  trans-62112.4170.5169.60000110.3F82 M96 E97 L150 K158 V159 A160V80-F82 PolarHBondContact O-N 3.18Å; V80-M96 HydrophobicContact CG1-CB 3.75Å; V80-M96 HydrophobicContact CG1-CG 3.83Å; V80-M96 HydrophobicContact CG1-SD 3.67Å; V80-E97 WeakPolarHBondContact CA-OE1 3.32Å; V80-E97 HydrophobicContact CG1-CG 4.19Å; V80-L150 HydrophobicContact CG2-CD1 4.16Å; V80-K158 HydrophobicContact CG2-CB 3.85Å; V80-V159 PolarHBondContact N-O 3.03Å; V80-A160 HydrophobicContact CB-CB 4.43Å; V80-A160 HydrophobicContact CG2-CB 3.66Å
81Q92.8Very high89.6Confident51 Ų5155 Ų5524%0.23825%0.252CS..  trans-68.6114.2-177.8179.658.472.600111.4I79 Y83 M96 E97I79-Q81 PolarHBondContact O-N 3.06Å; I79-Q81 VanDerWaalsContact O-N 3.17Å; Q81-Y83 HydrophobicContact CB-CE1 4.45Å; Q81-Y83 HydrophobicContact CG-CD1 4.19Å; Q81-Y83 HydrophobicContact CG-CE1 3.76Å; Q81-M96 CarbonylContact O-C 3.5Å; Q81-M96 VanDerWaalsContact O-CA 3.25Å; Q81-M96 WeakPolarHBondContact O-CA 3.15Å; Q81-E97 HydrophobicContact CB-CB 4.39Å; Q81-E97 HydrophobicContact CB-CG 4.36Å; Q81-E97 VanDerWaalsContact CB-OE1 3.3Å; Q81-E97 WeakPolarHBondContact CB-OE1 3.28Å; Q81-E97 PolarHBondContact N-OE1 2.8Å; Q81-E97 PolarHBondContact O-N 3.39Å
82F91.3Very high90Very high18 Ų1854.3 Ų54.38%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-69.8137.5170.3173.6-95.6000111.9I68 L71 R72 V80 G84 I94I68-F82 HydrophobicContact CG2-CZ 4.27Å; L71-F82 HydrophobicContact CB-CB 4.18Å; L71-F82 HydrophobicContact CB-CD2 3.84Å; L71-F82 HydrophobicContact CB-CE2 4.41Å; L71-F82 HydrophobicContact CB-CG 4.08Å; L71-F82 HydrophobicContact CD1-CD2 4.44Å; L71-F82 WeakPolarHBondContact O-CB 3.16Å; R72-F82 HydrophobicContact CB-CD1 4.04Å; R72-F82 HydrophobicContact CB-CE1 3.91Å; R72-F82 HydrophobicContact CG-CE1 4.32Å; V80-F82 PolarHBondContact O-N 3.18Å; F82-G84 VanDerWaalsContact CZ-CA 3.43Å; F82-I94 HydrophobicContact CD2-CG2 3.96Å; F82-I94 HydrophobicContact CE2-CG2 3.98Å
83Y91.5Very high90.3Very high89 Ų8949 Ų4935%0.34923%0.229SC..EExtended strand (participates in β ladder)trans-111.3-29.7176.1-59.5-42.1000113.6V48 Q81 C95 M96 E97V48-Y83 HydrophobicContact CB-CD2 4.29Å; V48-Y83 HydrophobicContact CB-CE2 4.14Å; V48-Y83 HydrophobicContact CG1-CD2 3.91Å; V48-Y83 HydrophobicContact CG1-CE2 3.63Å; Q81-Y83 HydrophobicContact CB-CE1 4.45Å; Q81-Y83 HydrophobicContact CG-CD1 4.19Å; Q81-Y83 HydrophobicContact CG-CE1 3.76Å; Y83-C95 PolarHBondContact N-O 3.13Å; Y83-M96 VanDerWaalsContact CD2-C 3.5Å; Y83-M96 WeakPolarHBondContact CE2-O 2.97Å; Y83-E97 HydrophobicContact CE2-CB 4.25Å; Y83-E97 WeakPolarHBondContact OH-CB 3.46Å
84G91Very high90.6Very high5 Ų544.6 Ų44.65%0.05221%0.209CC..EExtended strand (participates in β ladder)trans166.1165.5179.200000113.8F82 C95F82-G84 VanDerWaalsContact CZ-CA 3.43Å; G84-C95 PolarHBondContact N-O 3.41Å; G84-C95 PolarHBondContact O-N 2.18Å
85S92.1Very high91.1Very high5 Ų544.6 Ų44.64%0.03521%0.208CC..EExtended strand (participates in β ladder)trans-131.8152.217851.20000111.4V13 K14 I68 W93V13-S85 WeakPolarHBondContact CB-O 3.21Å; K14-S85 PolarHBondContact N-O 3.39Å; I68-S85 WeakPolarHBondContact CG2-OG 3.09Å; S85-W93 CarbonylContact C-O 3.55Å; S85-W93 WeakPolarHBondContact CA-O 3.42Å; S85-W93 WeakPolarHBondContact CB-O 3.28Å
86Y93.4Very high91.2Very high0 Ų037.9 Ų37.90%018%0.184CC..EExtended strand (participates in β ladder)trans-145.7146.8-173.7-45.1-104.4000110.2K14 P18 E21 Y22 L92 W93 C95K14-Y86 HydrophobicContact CB-CD1 3.7Å; K14-Y86 HydrophobicContact CB-CE1 3.65Å; K14-Y86 HydrophobicContact CD-CD1 4.23Å; K14-Y86 HydrophobicContact CD-CE1 3.34Å; K14-Y86 VanDerWaalsContact CD-CZ 3.49Å; K14-Y86 VanDerWaalsContact CD-OH 3.24Å; K14-Y86 WeakPolarHBondContact CD-OH 2.86Å; K14-Y86 HydrophobicContact CG-CE1 4.16Å; K14-Y86 PolarHBondContact NZ-OH 3.23Å; P18-Y86 HydrophobicContact CB-CD1 4.16Å; P18-Y86 HydrophobicContact CB-CD2 3.89Å; P18-Y86 HydrophobicContact CB-CE2 4.47Å; P18-Y86 HydrophobicContact CB-CG 3.78Å; P18-Y86 HydrophobicContact CG-CG 4.25Å; E21-Y86 VanDerWaalsContact CD-OH 3.28Å; E21-Y86 PolarHBondContact OE1-OH 2.88Å; E21-Y86 PolarHBondContact OE2-OH 3.31Å; Y22-Y86 AromaticContact CE2-CE2 3.99Å; Y22-Y86 HydrophobicContact CE2-CE2 3.99Å; Y22-Y86 AromaticContact CE2-CZ 3.81Å; Y22-Y86 WeakPolarHBondContact CE2-OH 3.45Å; Y86-L92 WeakPolarHBondContact O-CA 3.38Å; Y86-W93 HydrophobicContact CD2-CB 4.21Å; Y86-W93 PolarHBondContact N-O 3.05Å; Y86-W93 PolarHBondContact O-N 3.22Å; Y86-C95 HydrophobicContact CE2-CB 4.39Å
87L90.1Very high91.1Very high8 Ų837 Ų374%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-122.3103.1177.7-176.167.7000112.3L6 L9 R10 V13 L92L6-L87 HydrophobicContact CB-CD2 4.43Å; L9-L87 HydrophobicContact CB-CD2 4.1Å; L9-L87 HydrophobicContact CD2-CD1 3.92Å; L9-L87 HydrophobicContact CD2-CD2 3.93Å; L9-L87 HydrophobicContact CD2-CG 4.49Å; L9-L87 HydrophobicContact CG-CD2 4.02Å; R10-L87 HydrophobicContact CG-CD2 3.92Å; R10-L87 PolarHBondContact NH1-O 3.33Å; V13-L87 HydrophobicContact CG2-CB 3.9Å; L87-L92 HydrophobicContact CD1-CB 4.38Å
88R86.4Confident91.1Very high104 Ų10434.6 Ų34.639%0.39216%0.159SC..EExtended strand (participates in β ladder)trans-129.7126.5-174.6-154.770.5160.4174-4110D17 N90 K91D17-R88 IonicContact OD2-CZ 3.57Å; D17-R88 IonicContact OD2-NE 2.76Å; D17-R88 PolarHBondContact OD2-NE 2.83Å; D17-R88 IonicContact OD2-NH2 2.68Å; D17-R88 PolarHBondContact OD2-NH2 2.83Å; R88-N90 VanDerWaalsContact C-N 3.33Å; R88-N90 PolarHBondContact O-N 3.08Å; R88-K91 PolarHBondContact N-O 2.97Å; R88-K91 PolarHBondContact O-N 3.05Å; R88-K91 VanDerWaalsContact O-O 3.13Å
89N85Confident90.9Very high144 Ų14434.7 Ų34.777%0.7716%0.161SC*.THydrogen-bonded Turntrans48.548.5178.7-57.34.2000113.8K91N89-K91 PolarHBondContact O-N 2.72Å
90N83.1Confident90.8Very high68 Ų6835.4 Ų35.436%0.36417%0.168SC..THydrogen-bonded Turntrans55.814.9-175.4-598.7000115.2L6 I55 R88L6-N90 WeakPolarHBondContact CD1-OD1 3.23Å; I55-N90 PolarHBondContact N-O 3.45Å; R88-N90 VanDerWaalsContact C-N 3.33Å; R88-N90 PolarHBondContact O-N 3.08Å
91K87.7Confident90.7Very high95 Ų9535.3 Ų35.341%0.41317%0.168SC..EExtended strand (participates in β ladder)trans-101.9124.8166.7-61.3-166.4176.1-162.10109.6V52 M53 R88 N89V52-K91 HydrophobicContact CG1-CB 3.97Å; V52-K91 HydrophobicContact CG1-CD 3.83Å; V52-K91 HydrophobicContact CG1-CG 4.45Å; M53-K91 CarbonylContact O-C 3.53Å; M53-K91 VanDerWaalsContact O-CA 3.27Å; M53-K91 WeakPolarHBondContact O-CA 2.98Å; R88-K91 PolarHBondContact N-O 2.97Å; R88-K91 PolarHBondContact O-N 3.05Å; R88-K91 VanDerWaalsContact O-O 3.13Å; N89-K91 PolarHBondContact O-N 2.72Å
92L88.1Confident90.6Very high0 Ų036 Ų360%017%0.171CC..EExtended strand (participates in β ladder)trans-83.9125.8168.8172.160.7000108.6V13 V52 M53 I55 I64 I68 Y86 L87 I94V13-L92 HydrophobicContact CG1-CD1 3.94Å; V52-L92 WeakPolarHBondContact CA-O 3.34Å; M53-L92 HydrophobicContact CE-CD2 3.79Å; M53-L92 HydrophobicContact CE-CG 4.39Å; M53-L92 PolarHBondContact N-O 3.13Å; M53-L92 PolarHBondContact O-N 2.89Å; I55-L92 HydrophobicContact CD1-CB 3.88Å; I55-L92 HydrophobicContact CD1-CD2 4.35Å; I55-L92 HydrophobicContact CG1-CB 3.91Å; I64-L92 HydrophobicContact CG2-CD2 3.42Å; I64-L92 VanDerWaalsContact CG2-CD2 3.42Å; I68-L92 HydrophobicContact CD1-CD1 3.94Å; I68-L92 HydrophobicContact CD1-CD2 3.98Å; Y86-L92 WeakPolarHBondContact O-CA 3.38Å; L87-L92 HydrophobicContact CD1-CB 4.38Å; L92-I94 HydrophobicContact CD2-CD1 4.36Å; L92-I94 HydrophobicContact CD2-CG1 4.49Å; L92-I94 HydrophobicContact CG-CG1 4.19Å
93W91.9Very high90.7Very high32 Ų3235.5 Ų35.512%0.12117%0.17CC..EExtended strand (participates in β ladder)trans-105.4132.1175.7-66.651.7000108.2P18 I24 V50 K51 V52 S85 Y86P18-W93 HydrophobicContact CB-CB 4.46Å; P18-W93 HydrophobicContact CB-CD2 3.89Å; P18-W93 HydrophobicContact CB-CE3 3.52Å; P18-W93 HydrophobicContact CB-CG 4.29Å; P18-W93 HydrophobicContact CB-CZ3 4.09Å; P18-W93 HydrophobicContact CG-CB 4.38Å; P18-W93 HydrophobicContact CG-CD2 3.47Å; P18-W93 VanDerWaalsContact CG-CD2 3.47Å; P18-W93 HydrophobicContact CG-CE3 3.58Å; P18-W93 HydrophobicContact CG-CG 3.82Å; P18-W93 HydrophobicContact CG-CZ2 4.4Å; P18-W93 HydrophobicContact CG-CZ3 4.1Å; I24-W93 HydrophobicContact CD1-CZ3 3.94Å; I24-W93 HydrophobicContact CG1-CH2 4.38Å; I24-W93 HydrophobicContact CG1-CZ3 4.24Å; V50-W93 HydrophobicContact CG1-CD2 4.32Å; V50-W93 HydrophobicContact CG1-CE3 3.49Å; V50-W93 VanDerWaalsContact CG1-CE3 3.49Å; V50-W93 HydrophobicContact CG1-CZ3 4.03Å; K51-W93 CarbonylContact O-C 3.58Å; K51-W93 WeakPolarHBondContact O-CA 3.43Å; V52-W93 HydrophobicContact CG1-CD2 4.48Å; V52-W93 HydrophobicContact CG1-CG 4.49Å; V52-W93 HydrophobicContact CG2-CD2 3.84Å; V52-W93 HydrophobicContact CG2-CE3 4.1Å; V52-W93 HydrophobicContact CG2-CG 4.18Å; V52-W93 HydrophobicContact CG2-CZ2 4.39Å; V52-W93 HydrophobicContact CG2-CZ3 4.47Å; S85-W93 CarbonylContact C-O 3.55Å; S85-W93 WeakPolarHBondContact CA-O 3.42Å; S85-W93 WeakPolarHBondContact CB-O 3.28Å; Y86-W93 HydrophobicContact CD2-CB 4.21Å; Y86-W93 PolarHBondContact N-O 3.05Å; Y86-W93 PolarHBondContact O-N 3.22Å
94I89.6Confident90.9Very high1 Ų131.3 Ų31.31%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-123.2115.2175-58.8-177.9000107.7V50 K51 M53 L71 F82 L92 M96V50-I94 CarbonylContact C-O 3.46Å; V50-I94 WeakPolarHBondContact CA-O 3.14Å; K51-I94 HydrophobicContact CB-CB 4.4Å; K51-I94 PolarHBondContact N-O 3Å; K51-I94 PolarHBondContact O-N 2.84Å; M53-I94 HydrophobicContact CE-CD1 3.63Å; M53-I94 HydrophobicContact CE-CG1 4.48Å; L71-I94 HydrophobicContact CD1-CD1 4.13Å; L71-I94 HydrophobicContact CD1-CG2 4.07Å; F82-I94 HydrophobicContact CD2-CG2 3.96Å; F82-I94 HydrophobicContact CE2-CG2 3.98Å; L92-I94 HydrophobicContact CD2-CD1 4.36Å; L92-I94 HydrophobicContact CD2-CG1 4.49Å; L92-I94 HydrophobicContact CG-CG1 4.19Å; I94-M96 HydrophobicContact CB-CE 4.26Å; I94-M96 HydrophobicContact CG2-CE 3.58Å
95C92.7Very high90.9Very high0 Ų033.5 Ų33.50%016%0.163CC..EExtended strand (participates in β ladder)trans-101.3131.8-178.6-59.60000110.1Y22 A49 Y83 G84 Y86Y22-C95 HydrophobicContact CE1-CB 4.31Å; Y22-C95 HydrophobicContact CE2-CB 4.3Å; A49-C95 WeakPolarHBondContact O-CA 3.34Å; Y83-C95 PolarHBondContact N-O 3.13Å; G84-C95 PolarHBondContact N-O 3.41Å; G84-C95 PolarHBondContact O-N 2.18Å; Y86-C95 HydrophobicContact CE2-CB 4.39Å
96M92.6Very high90.8Very high20 Ų2036.6 Ų36.610%0.09918%0.178CC..EExtended strand (participates in β ladder)trans-150.5172-171.866.2-170.369.500111.6V48 A49 K51 V80 Q81 Y83 I94V48-M96 CarbonylContact C-O 3.59Å; V48-M96 WeakPolarHBondContact CA-O 3.45Å; V48-M96 WeakPolarHBondContact CB-O 3.25Å; A49-M96 HydrophobicContact CB-CG 3.82Å; A49-M96 PolarHBondContact N-O 3.28Å; A49-M96 PolarHBondContact O-N 2.95Å; K51-M96 HydrophobicContact CB-CE 4.12Å; V80-M96 HydrophobicContact CG1-CB 3.75Å; V80-M96 HydrophobicContact CG1-CG 3.83Å; V80-M96 HydrophobicContact CG1-SD 3.67Å; Q81-M96 CarbonylContact O-C 3.5Å; Q81-M96 VanDerWaalsContact O-CA 3.25Å; Q81-M96 WeakPolarHBondContact O-CA 3.15Å; Y83-M96 VanDerWaalsContact CD2-C 3.5Å; Y83-M96 WeakPolarHBondContact CE2-O 2.97Å; I94-M96 HydrophobicContact CB-CE 4.26Å; I94-M96 HydrophobicContact CG2-CE 3.58Å
97E93.5Very high90.6Very high26 Ų2636.6 Ų36.612%0.12118%0.178CC..EExtended strand (participates in β ladder)trans-61.3148.9177.974.7-177.7113.400113.3V80 Q81 Y83 K158V80-E97 WeakPolarHBondContact CA-OE1 3.32Å; V80-E97 HydrophobicContact CG1-CG 4.19Å; Q81-E97 HydrophobicContact CB-CB 4.39Å; Q81-E97 HydrophobicContact CB-CG 4.36Å; Q81-E97 VanDerWaalsContact CB-OE1 3.3Å; Q81-E97 WeakPolarHBondContact CB-OE1 3.28Å; Q81-E97 PolarHBondContact N-OE1 2.8Å; Q81-E97 PolarHBondContact O-N 3.39Å; Y83-E97 HydrophobicContact CE2-CB 4.25Å; Y83-E97 WeakPolarHBondContact OH-CB 3.46Å; E97-K158 VanDerWaalsContact CD-CE 3.47Å; E97-K158 WeakPolarHBondContact OE1-CE 3.33Å; E97-K158 IonicContact OE1-NZ 2.8Å; E97-K158 PolarHBondContact OE1-NZ 3.08Å; E97-K158 WeakPolarHBondContact OE2-CE 3.34Å; E97-K158 IonicContact OE2-NZ 3.67Å; E97-K158 PolarHBondContact OE2-NZ 2.8Å
98Y95.2Very high90.5Very high44 Ų4436.5 Ų36.517%0.17318%0.178CC..  trans-91.7110.1178.4176.5-107.5000111.5I28 K38 L47 G100I28-Y98 HydrophobicContact CD1-CD2 4.02Å; I28-Y98 HydrophobicContact CD1-CE2 3.74Å; K38-Y98 HydrophobicContact CB-CD2 4.49Å; K38-Y98 HydrophobicContact CB-CE2 4.18Å; K38-Y98 HydrophobicContact CD-CD2 4.4Å; K38-Y98 HydrophobicContact CD-CE1 4.16Å; K38-Y98 HydrophobicContact CD-CE2 3.74Å; K38-Y98 VanDerWaalsContact CE-CE1 3.42Å; K38-Y98 HydrophobicContact CG-CD2 4.08Å; K38-Y98 HydrophobicContact CG-CE2 3.86Å; K38-Y98 PolarHBondContact NZ-OH 3.34Å; L47-Y98 HydrophobicContact CB-CD1 3.92Å; L47-Y98 HydrophobicContact CB-CG 4.14Å; L47-Y98 HydrophobicContact CD1-CD1 3.97Å; L47-Y98 HydrophobicContact CD1-CE1 4.17Å; Y98-G100 PolarHBondContact O-N 3.23Å
99C94.6Very high90.4Very high13 Ų1336.2 Ų36.29%0.08818%0.183CC..  trans-88.484.3175.9-620000110.5G101 Q102 L150 L151C99-G101 PolarHBondContact O-N 3.1Å; C99-Q102 PolarHBondContact O-N 2.94Å; C99-Q102 VanDerWaalsContact O-N 3.17Å; C99-L150 HydrophobicContact CB-CB 3.6Å; C99-L150 HydrophobicContact CB-CD1 3.86Å; C99-L150 HydrophobicContact CB-CG 4.39Å; C99-L151 CarbonylContact C-O 3.51Å; C99-L151 WeakPolarHBondContact CA-O 3.37Å; C99-L151 WeakPolarHBondContact CB-O 3.43Å
100G91.5Very high90.4Very high15 Ų1533.6 Ų33.616%0.15516%0.163CC..THydrogen-bonded Turntrans-67.7-14.9-172.200000116.4Y98 Q102 D153Y98-G100 PolarHBondContact O-N 3.23Å; G100-Q102 PolarHBondContact O-N 2.89Å; G100-D153 WeakPolarHBondContact CA-OD2 3.33Å
101G90.7Very high90.4Very high3 Ų330.9 Ų30.93%0.03115%0.149CC..THydrogen-bonded Turntrans-72.7-7.3171.700000114.7C99 I107 L151C99-G101 PolarHBondContact O-N 3.1Å; G101-I107 WeakPolarHBondContact O-CD1 3.49Å; G101-L151 VanDerWaalsContact CA-O 3.28Å; G101-L151 WeakPolarHBondContact CA-O 3.2Å; G101-L151 PolarHBondContact N-O 3.48Å
102Q91Very high90.3Very high67 Ų6733.8 Ų33.831%0.31316%0.158SC..EExtended strand (participates in β ladder)trans65.2-171.1-174.3-51.6-163.7-5400113.7C99 G100 D106 L150 L151C99-Q102 PolarHBondContact O-N 2.94Å; C99-Q102 VanDerWaalsContact O-N 3.17Å; G100-Q102 PolarHBondContact O-N 2.89Å; Q102-D106 HydrophobicContact CB-CB 3.84Å; Q102-L150 WeakPolarHBondContact O-CA 3.36Å; Q102-L151 PolarHBondContact O-N 3.45Å
103S93.7Very high89.9Confident7 Ų741.1 Ų41.15%0.04919%0.185CC..EExtended strand (participates in β ladder)trans-76.3156.5177.574.90000112.2Q105 D106 I107 A147 I149S103-Q105 PolarHBondContact O-N 2.94Å; S103-Q105 PolarHBondContact OG-N 2.93Å; S103-D106 VanDerWaalsContact CB-OD2 3.29Å; S103-D106 WeakPolarHBondContact CB-OD2 3.19Å; S103-D106 PolarHBondContact N-OD2 3.15Å; S103-D106 WeakPolarHBondContact O-CB 3.45Å; S103-D106 PolarHBondContact O-N 2.82Å; S103-D106 VanDerWaalsContact O-N 3.15Å; S103-D106 PolarHBondContact OG-N 3.45Å; S103-D106 PolarHBondContact OG-OD2 2.71Å; S103-I107 VanDerWaalsContact O-CG1 3.32Å; S103-I107 WeakPolarHBondContact O-CG1 3.13Å; S103-I107 PolarHBondContact O-N 2.91Å; S103-A147 VanDerWaalsContact CB-O 3.27Å; S103-A147 WeakPolarHBondContact CB-O 3.12Å; S103-I149 CarbonylContact C-O 3.53Å; S103-I149 WeakPolarHBondContact CA-O 3.23Å
104M95.3Very high89.9Confident0 Ų042 Ų420%020%0.195CC..Hα-helixtrans-58.9-30.7172-67.5-61.7-55.600111.5I107 Y108 L115 V123 G146 I149 L151 Y215 L294M104-I107 PolarHBondContact O-N 3.35Å; M104-I107 HydrophobicContact SD-CD1 4.15Å; M104-Y108 WeakPolarHBondContact O-CD1 3.44Å; M104-Y108 PolarHBondContact O-N 3.37Å; M104-L115 HydrophobicContact CE-CD1 3.34Å; M104-V123 HydrophobicContact CE-CG1 4.41Å; M104-V123 HydrophobicContact CE-CG2 3.96Å; M104-V123 HydrophobicContact CG-CG1 4.21Å; M104-V123 HydrophobicContact SD-CG1 4.38Å; M104-V123 HydrophobicContact SD-CG2 4.16Å; M104-G146 PolarHBondContact N-O 3.17Å; M104-I149 HydrophobicContact CG-CB 4.04Å; M104-I149 HydrophobicContact CG-CG2 3.8Å; M104-I149 PolarHBondContact N-O 2.98Å; M104-L151 HydrophobicContact SD-CD1 3.91Å; M104-L151 HydrophobicContact SD-CD2 3.82Å; M104-L151 HydrophobicContact SD-CG 3.78Å; M104-Y215 HydrophobicContact CB-CE1 3.51Å; M104-Y215 WeakPolarHBondContact CB-OH 3.39Å; M104-Y215 HydrophobicContact CG-CE1 4.29Å; M104-Y215 WeakPolarHBondContact CG-OH 3.32Å; M104-L294 HydrophobicContact CE-CD2 3.91Å
105Q91.4Very high90.1Very high52 Ų5242.4 Ų42.424%0.24320%0.197CC..Hα-helixtrans-66.5-47.2172.4-178.1161.7104.200112.9S103 I107 Y108 L109 G146 A147 E214S103-Q105 PolarHBondContact O-N 2.94Å; S103-Q105 PolarHBondContact OG-N 2.93Å; Q105-I107 PolarHBondContact O-N 2.95Å; Q105-Y108 VanDerWaalsContact CA-CE1 3.49Å; Q105-Y108 HydrophobicContact CB-CE1 3.98Å; Q105-Y108 HydrophobicContact CG-CE1 4.2Å; Q105-Y108 PolarHBondContact NE2-OH 3.3Å; Q105-Y108 VanDerWaalsContact NE2-OH 3.14Å; Q105-Y108 PolarHBondContact O-N 2.97Å; Q105-L109 HydrophobicContact CG-CD1 3.63Å; Q105-L109 HydrophobicContact CG-CG 4.17Å; Q105-L109 VanDerWaalsContact O-CB 3.28Å; Q105-L109 WeakPolarHBondContact O-CB 3.29Å; Q105-L109 VanDerWaalsContact O-CG 3.23Å; Q105-L109 WeakPolarHBondContact O-CG 3.48Å; Q105-L109 PolarHBondContact O-N 3.45Å; Q105-G146 PolarHBondContact N-O 2.98Å; Q105-A147 HydrophobicContact CB-CB 4.31Å; Q105-E214 PolarHBondContact NE2-OE1 2.82Å; Q105-E214 VanDerWaalsContact NE2-OE1 3.12Å
106D88.5Confident90.2Very high69 Ų6948.9 Ų48.937%0.36923%0.228SC..Hα-helixtrans-56-42.3173.5-62.7-62.1000110.9Q102 S103 Y110Q102-D106 HydrophobicContact CB-CB 3.84Å; S103-D106 VanDerWaalsContact CB-OD2 3.29Å; S103-D106 WeakPolarHBondContact CB-OD2 3.19Å; S103-D106 PolarHBondContact N-OD2 3.15Å; S103-D106 WeakPolarHBondContact O-CB 3.45Å; S103-D106 PolarHBondContact O-N 2.82Å; S103-D106 VanDerWaalsContact O-N 3.15Å; S103-D106 PolarHBondContact OG-N 3.45Å; S103-D106 PolarHBondContact OG-OD2 2.71Å; D106-Y110 WeakPolarHBondContact O-CB 3.28Å; D106-Y110 PolarHBondContact O-N 2.97Å
107I89.8Confident90.3Very high0 Ų049.9 Ų49.90%023%0.232CC..Hα-helixtrans-64.9-52.2-179.7-64.9164.1000111.5G101 S103 M104 Q105 Y110 T111 L151 L294 L295G101-I107 WeakPolarHBondContact O-CD1 3.49Å; S103-I107 VanDerWaalsContact O-CG1 3.32Å; S103-I107 WeakPolarHBondContact O-CG1 3.13Å; S103-I107 PolarHBondContact O-N 2.91Å; M104-I107 PolarHBondContact O-N 3.35Å; M104-I107 HydrophobicContact SD-CD1 4.15Å; Q105-I107 PolarHBondContact O-N 2.95Å; I107-Y110 PolarHBondContact O-N 3.31Å; I107-T111 HydrophobicContact CG2-CG2 4.37Å; I107-T111 WeakPolarHBondContact O-CB 3.39Å; I107-T111 WeakPolarHBondContact O-CG2 3.49Å; I107-T111 PolarHBondContact O-N 3.42Å; I107-T111 PolarHBondContact O-OG1 3.1Å; I107-L151 HydrophobicContact CD1-CD1 3.5Å; I107-L151 VanDerWaalsContact CD1-CD1 3.5Å; I107-L151 HydrophobicContact CD1-CG 3.95Å; I107-L294 HydrophobicContact CG2-CD1 3.88Å; I107-L294 HydrophobicContact CG2-CD2 3.71Å; I107-L294 HydrophobicContact CG2-CG 3.62Å; I107-L295 HydrophobicContact CD1-CD2 4.08Å
108Y88.6Confident90.5Very high6 Ų652.2 Ų52.22%0.02425%0.245CC..Hα-helixtrans-72-31.1-176.978.4-119.8000112.6M104 Q105 R112 E214 Y215 L218M104-Y108 WeakPolarHBondContact O-CD1 3.44Å; M104-Y108 PolarHBondContact O-N 3.37Å; Q105-Y108 VanDerWaalsContact CA-CE1 3.49Å; Q105-Y108 HydrophobicContact CB-CE1 3.98Å; Q105-Y108 HydrophobicContact CG-CE1 4.2Å; Q105-Y108 PolarHBondContact NE2-OH 3.3Å; Q105-Y108 VanDerWaalsContact NE2-OH 3.14Å; Q105-Y108 PolarHBondContact O-N 2.97Å; Y108-R112 WeakPolarHBondContact O-CA 3.38Å; Y108-R112 PolarHBondContact O-N 3.38Å; Y108-E214 HydrophobicContact CE1-CG 3.72Å; Y108-E214 WeakPolarHBondContact OH-CG 3.37Å; Y108-E214 PolarHBondContact OH-OE1 3.04Å; Y108-Y215 AromaticContact CD1-CD1 4Å; Y108-Y215 HydrophobicContact CD1-CD1 4Å; Y108-Y215 HydrophobicContact CD1-CE1 4.42Å; Y108-Y215 HydrophobicContact CE1-CD1 4.18Å; Y108-Y215 HydrophobicContact CE1-CE1 4.45Å; Y108-L218 HydrophobicContact CD2-CB 4.19Å; Y108-L218 HydrophobicContact CD2-CD2 3.53Å; Y108-L218 HydrophobicContact CD2-CG 4.47Å; Y108-L218 HydrophobicContact CE2-CB 4.26Å; Y108-L218 HydrophobicContact CE2-CD2 4.38Å; Y108-L218 VanDerWaalsContact CE2-O 3.23Å; Y108-L218 WeakPolarHBondContact CE2-O 3.41Å; Y108-L218 HydrophobicContact CG-CD2 3.9Å
109L84.2Confident90.6Very high98 Ų9850.4 Ų50.451%0.51324%0.239SC..Hα-helixtrans-70.2-33.2173.7-69.3177000112.2Q105 R112Q105-L109 HydrophobicContact CG-CD1 3.63Å; Q105-L109 HydrophobicContact CG-CG 4.17Å; Q105-L109 VanDerWaalsContact O-CB 3.28Å; Q105-L109 WeakPolarHBondContact O-CB 3.29Å; Q105-L109 VanDerWaalsContact O-CG 3.23Å; Q105-L109 WeakPolarHBondContact O-CG 3.48Å; Q105-L109 PolarHBondContact O-N 3.45Å; L109-R112 VanDerWaalsContact O-CG 3.23Å; L109-R112 WeakPolarHBondContact O-CG 3.43Å
110Y83.8Confident90.7Very high90 Ų9049.8 Ų49.835%0.35324%0.235SC..Hα-helixtrans-75.9-47.2175.8-167.3-85.8000112.3D106 I107 R112 R298 L301 E302D106-Y110 WeakPolarHBondContact O-CB 3.28Å; D106-Y110 PolarHBondContact O-N 2.97Å; I107-Y110 PolarHBondContact O-N 3.31Å; Y110-R112 VanDerWaalsContact C-N 3.32Å; Y110-R298 HydrophobicContact CD1-CG 3.81Å; Y110-R298 HydrophobicContact CE1-CG 4.35Å; Y110-R298 HydrophobicContact CG-CG 4.47Å; Y110-L301 HydrophobicContact CE1-CB 3.87Å; Y110-E302 HydrophobicContact CE1-CG 3.73Å; Y110-E302 HydrophobicContact CE2-CG 4.31Å; Y110-E302 WeakPolarHBondContact OH-CA 3.49Å; Y110-E302 WeakPolarHBondContact OH-CG 3.35Å
111T84.2Confident91Very high10 Ų1049 Ų496%0.06123%0.227CC..Hα-helixtrans-74.6-22.3179.962.50000113.3I107 R113 Y297 R298 L301I107-T111 HydrophobicContact CG2-CG2 4.37Å; I107-T111 WeakPolarHBondContact O-CB 3.39Å; I107-T111 WeakPolarHBondContact O-CG2 3.49Å; I107-T111 PolarHBondContact O-N 3.42Å; I107-T111 PolarHBondContact O-OG1 3.1Å; T111-R113 PolarHBondContact O-N 2.69Å; T111-Y297 HydrophobicContact CG2-CD1 3.85Å; T111-Y297 HydrophobicContact CG2-CE1 3.97Å; T111-R298 HydrophobicContact CG2-CB 4.26Å; T111-L301 HydrophobicContact CG2-CD1 4.3Å
112R84.9Confident91.4Very high157 Ų15749 Ų4959%0.59223%0.226SC*.  trans55.431.9178.7-58.6176.3171.6-145.6-9.8113.6Y108 L109 Y110 P817Y108-R112 WeakPolarHBondContact O-CA 3.38Å; Y108-R112 PolarHBondContact O-N 3.38Å; L109-R112 VanDerWaalsContact O-CG 3.23Å; L109-R112 WeakPolarHBondContact O-CG 3.43Å; Y110-R112 VanDerWaalsContact C-N 3.32Å; R112-P817 PolarHBondContact NH1-O 3.2Å
113R81.4Confident91.7Very high153 Ų15345.8 Ų45.858%0.57721%0.211SC*.SBendtrans-133.6133.8-178.9-77.9-176165.4-175.7-8.5110.4T111 Y297T111-R113 PolarHBondContact O-N 2.69Å; R113-Y297 PolarHBondContact NH1-OH 3.31Å
114P90.8Very high92Very high52 Ų5245.6 Ų45.634%0.33821%0.21SC..PPolyproline II helixtrans-49.6144165.6-30.438.7000111.6A216 L218 W250P114-A216 WeakPolarHBondContact CB-O 3.22Å; P114-L218 HydrophobicContact CG-CG 4.37Å; P114-W250 HydrophobicContact CB-CH2 4.3Å
115L94.1Very high92.1Very high8 Ų848 Ų484%0.04222%0.219CC..PPolyproline II helixtrans-77.7152.1178.1-54.8-172.3000111.1M104 I120 Y215 L294M104-L115 HydrophobicContact CE-CD1 3.34Å; L115-I120 HydrophobicContact CB-CD1 4.19Å; L115-I120 HydrophobicContact CB-CG1 3.78Å; L115-Y215 HydrophobicContact CD1-CD1 4.25Å; L115-Y215 HydrophobicContact CD1-CD2 4.35Å; L115-Y215 HydrophobicContact CD1-CG 3.94Å; L115-Y215 PolarHBondContact N-O 3.14Å; L115-L294 HydrophobicContact CD1-CD2 4.26Å; L115-L294 HydrophobicContact CD2-CD1 3.81Å; L115-L294 HydrophobicContact CD2-CD2 3.89Å
116E94.1Very high92.4Very high137 Ų13746.6 Ų46.664%0.6421%0.212SC*.PPolyproline II helixtrans-69.1146.8174.5-64.1173.5173.900110.8D118 C119 I120E116-D118 VanDerWaalsContact C-N 3.33Å; E116-D118 PolarHBondContact O-N 3.05Å; E116-C119 WeakPolarHBondContact O-CA 3.24Å; E116-C119 WeakPolarHBondContact O-CB 3.47Å; E116-C119 PolarHBondContact O-N 3.4Å; E116-I120 PolarHBondContact O-N 2.92Å
117E95.7Very high92.9Very high41 Ų4143.6 Ų43.619%0.19220%0.197CC..Hα-helixtrans-55.8-43.3-176-80.1-167.4-145.800113.4C119 I120 A121 W250 S251 F254 F280E117-C119 VanDerWaalsContact C-N 3.29Å; E117-C119 PolarHBondContact O-N 2.75Å; E117-I120 PolarHBondContact O-N 3.23Å; E117-A121 VanDerWaalsContact O-CB 3.31Å; E117-A121 WeakPolarHBondContact O-CB 3.23Å; E117-A121 PolarHBondContact O-N 3.36Å; E117-W250 HydrophobicContact CG-CE3 3.63Å; E117-W250 HydrophobicContact CG-CZ3 3.9Å; E117-W250 VanDerWaalsContact OE1-CA 3.26Å; E117-W250 WeakPolarHBondContact OE1-CA 3.31Å; E117-S251 PolarHBondContact OE1-N 2.92Å; E117-S251 WeakPolarHBondContact OE2-CB 3.35Å; E117-S251 PolarHBondContact OE2-OG 2.9Å; E117-F254 HydrophobicContact CG-CD1 3.77Å; E117-F254 HydrophobicContact CG-CE1 4.34Å; E117-F254 HydrophobicContact CG-CG 4.41Å; E117-F254 WeakPolarHBondContact OE2-CB 3.32Å; E117-F280 HydrophobicContact CB-CE2 4.2Å
118D96.9Very high93.3Very high74 Ų7443.6 Ų43.640%0.39620%0.197SC..Hα-helixtrans-61.8-38.3176.6-76.7-35.1000111.4E116 A121 F122 N283 L286 L290E116-D118 VanDerWaalsContact C-N 3.33Å; E116-D118 PolarHBondContact O-N 3.05Å; D118-A121 PolarHBondContact O-N 3.45Å; D118-F122 WeakPolarHBondContact O-CB 3.41Å; D118-F122 PolarHBondContact O-N 3.11Å; D118-N283 PolarHBondContact OD1-ND2 3.18Å; D118-L286 HydrophobicContact CB-CD2 3.62Å; D118-L286 VanDerWaalsContact O-CD2 3.3Å; D118-L286 WeakPolarHBondContact O-CD2 3.27Å; D118-L286 WeakPolarHBondContact OD1-CD2 3.27Å; D118-L290 HydrophobicContact CB-CD1 3.98Å; D118-L290 HydrophobicContact CB-CD2 3.9Å
119C96.9Very high93.7Very high6 Ų646 Ų464%0.04121%0.208CC..Hα-helixtrans-67.2-40.1175.4-169.30000111.6E116 E117 V123 L290E116-C119 WeakPolarHBondContact O-CA 3.24Å; E116-C119 WeakPolarHBondContact O-CB 3.47Å; E116-C119 PolarHBondContact O-N 3.4Å; E117-C119 VanDerWaalsContact C-N 3.29Å; E117-C119 PolarHBondContact O-N 2.75Å; C119-V123 WeakPolarHBondContact O-CB 3.37Å; C119-V123 VanDerWaalsContact O-CG2 3.25Å; C119-V123 WeakPolarHBondContact O-CG2 3.38Å; C119-V123 PolarHBondContact O-N 2.99Å; C119-L290 HydrophobicContact CB-CB 4.45Å
120I97.9Very high94.3Very high0 Ų041.3 Ų41.30%018%0.184CC..Hα-helixtrans-63.2-44.3174.1-63.3176.7000110.2L115 E116 E117 S124 A212 Y215 A216 F254 F280L115-I120 HydrophobicContact CB-CD1 4.19Å; L115-I120 HydrophobicContact CB-CG1 3.78Å; E116-I120 PolarHBondContact O-N 2.92Å; E117-I120 PolarHBondContact O-N 3.23Å; I120-S124 WeakPolarHBondContact O-CB 3.48Å; I120-S124 PolarHBondContact O-N 2.84Å; I120-S124 PolarHBondContact O-OG 2.83Å; I120-A212 HydrophobicContact CG2-CB 4.09Å; I120-Y215 HydrophobicContact CG1-CD2 4.37Å; I120-Y215 HydrophobicContact CG2-CD2 4.37Å; I120-A216 HydrophobicContact CD1-CB 4.14Å; I120-F254 HydrophobicContact CD1-CE1 4.07Å; I120-F254 HydrophobicContact CD1-CZ 3.86Å; I120-F254 HydrophobicContact CG2-CE2 3.83Å; I120-F254 HydrophobicContact CG2-CZ 3.85Å; I120-F280 HydrophobicContact CG2-CE1 4.35Å; I120-F280 HydrophobicContact CG2-CZ 4.34Å
121A98.2Very high94.8Very high0 Ų037 Ų370%017%0.167CC..Hα-helixtrans-63.4-46.7179.200000112.3E117 D118 S124 R125 F280 I281 L286E117-A121 VanDerWaalsContact O-CB 3.31Å; E117-A121 WeakPolarHBondContact O-CB 3.23Å; E117-A121 PolarHBondContact O-N 3.36Å; D118-A121 PolarHBondContact O-N 3.45Å; A121-S124 PolarHBondContact O-N 3.38Å; A121-R125 PolarHBondContact O-N 3.35Å; A121-F280 HydrophobicContact CB-CD1 4.04Å; A121-F280 HydrophobicContact CB-CD2 4.35Å; A121-F280 HydrophobicContact CB-CE1 3.73Å; A121-F280 HydrophobicContact CB-CE2 4.05Å; A121-F280 HydrophobicContact CB-CG 4.35Å; A121-F280 HydrophobicContact CB-CZ 3.73Å; A121-F280 WeakPolarHBondContact CB-O 3.34Å; A121-I281 HydrophobicContact CB-CG2 4.11Å; A121-I281 WeakPolarHBondContact O-CG2 3.35Å; A121-L286 HydrophobicContact CB-CD1 3.64Å; A121-L286 HydrophobicContact CB-CD2 4.08Å
122F98.1Very high95.4Very high1 Ų138.5 Ų38.50%0.00417%0.174CC..Hα-helixtrans-60.2-54.9175175.4-103.2000111.2D118 S124 R125 E126 V157 L286 T288 L290 T291D118-F122 WeakPolarHBondContact O-CB 3.41Å; D118-F122 PolarHBondContact O-N 3.11Å; F122-S124 PolarHBondContact O-N 3.32Å; F122-R125 VanDerWaalsContact CE2-NH2 3.31Å; F122-R125 WeakPolarHBondContact O-CB 3.26Å; F122-R125 PolarHBondContact O-N 2.85Å; F122-E126 HydrophobicContact CD1-CG 4.46Å; F122-E126 HydrophobicContact CD2-CG 4.19Å; F122-E126 HydrophobicContact CE1-CG 4.09Å; F122-E126 HydrophobicContact CE2-CG 3.78Å; F122-E126 HydrophobicContact CZ-CG 3.72Å; F122-E126 WeakPolarHBondContact O-CG 3.35Å; F122-E126 PolarHBondContact O-N 3.48Å; F122-V157 HydrophobicContact CD1-CG2 4.28Å; F122-V157 HydrophobicContact CE1-CG2 3.77Å; F122-L286 HydrophobicContact CB-CB 4.29Å; F122-L286 HydrophobicContact CB-CD2 4.49Å; F122-L286 HydrophobicContact CD2-CB 4.39Å; F122-T288 HydrophobicContact CZ-CG2 4.48Å; F122-L290 HydrophobicContact CB-CD1 3.82Å; F122-L290 HydrophobicContact CG-CD1 4.33Å; F122-T291 HydrophobicContact CD1-CG2 3.85Å; F122-T291 HydrophobicContact CE1-CG2 3.78Å; F122-T291 WeakPolarHBondContact CE1-OG1 3.47Å
123V98.1Very high95.8Very high0 Ų032.6 Ų32.60%015%0.153CC..Hα-helixtrans-59.2-37.5179.3175.10000111.4M104 C119 T127 I149 V157 Y215 T291M104-V123 HydrophobicContact CE-CG1 4.41Å; M104-V123 HydrophobicContact CE-CG2 3.96Å; M104-V123 HydrophobicContact CG-CG1 4.21Å; M104-V123 HydrophobicContact SD-CG1 4.38Å; M104-V123 HydrophobicContact SD-CG2 4.16Å; C119-V123 WeakPolarHBondContact O-CB 3.37Å; C119-V123 VanDerWaalsContact O-CG2 3.25Å; C119-V123 WeakPolarHBondContact O-CG2 3.38Å; C119-V123 PolarHBondContact O-N 2.99Å; V123-T127 VanDerWaalsContact O-CB 3.29Å; V123-T127 WeakPolarHBondContact O-CB 3.09Å; V123-T127 PolarHBondContact O-N 2.89Å; V123-T127 PolarHBondContact O-OG1 3.3Å; V123-I149 HydrophobicContact CG1-CG2 3.94Å; V123-V157 HydrophobicContact CG1-CG1 4.14Å; V123-V157 HydrophobicContact CG2-CG2 4.03Å; V123-Y215 HydrophobicContact CB-CE2 4.36Å; V123-Y215 HydrophobicContact CG1-CE2 3.69Å; V123-T291 HydrophobicContact CG2-CG2 3.79Å
124S98.4Very high96.2Very high4 Ų425.3 Ų25.33%0.02813%0.126CC..Hα-helixtrans-65.1-40.9174.3-59.30000112.7I120 A121 F122 L128I120-S124 WeakPolarHBondContact O-CB 3.48Å; I120-S124 PolarHBondContact O-N 2.84Å; I120-S124 PolarHBondContact O-OG 2.83Å; A121-S124 PolarHBondContact O-N 3.38Å; F122-S124 PolarHBondContact O-N 3.32Å; S124-L128 WeakPolarHBondContact O-CB 3.41Å; S124-L128 WeakPolarHBondContact O-CD1 3.4Å; S124-L128 VanDerWaalsContact O-CG 3.28Å; S124-L128 WeakPolarHBondContact O-CG 3.3Å; S124-L128 PolarHBondContact O-N 3.03Å
125R98.3Very high96.2Very high51 Ų5124.6 Ų24.619%0.19212%0.118CC..Hα-helixtrans-60.5-54177-171-176.969.1-156.70.5111.6A121 F122 T127 L128 Q129 L276 I281 L286A121-R125 PolarHBondContact O-N 3.35Å; F122-R125 VanDerWaalsContact CE2-NH2 3.31Å; F122-R125 WeakPolarHBondContact O-CB 3.26Å; F122-R125 PolarHBondContact O-N 2.85Å; R125-T127 VanDerWaalsContact C-N 3.29Å; R125-T127 PolarHBondContact O-N 3.47Å; R125-L128 PolarHBondContact O-N 2.94Å; R125-L128 VanDerWaalsContact O-N 3.11Å; R125-Q129 WeakPolarHBondContact O-CG 3.5Å; R125-Q129 PolarHBondContact O-N 3.49Å; R125-L276 HydrophobicContact CG-CD2 4.09Å; R125-I281 HydrophobicContact CB-CB 4.12Å; R125-I281 HydrophobicContact CB-CD1 4.2Å; R125-I281 WeakPolarHBondContact CD-O 3.46Å; R125-I281 HydrophobicContact CG-CD1 4.31Å; R125-L286 PolarHBondContact NH1-O 2.79Å; R125-L286 PolarHBondContact NH2-O 3.27Å
126E98.2Very high96Very high21 Ų2129.9 Ų29.910%0.09815%0.146CC..Hα-helixtrans-63.4-38.4-177.2-57.4-57.5118.900110.8N78 F122 Q129 G130 V157N78-E126 WeakPolarHBondContact CB-O 3.44Å; N78-E126 WeakPolarHBondContact ND2-CB 3.42Å; N78-E126 PolarHBondContact ND2-OE2 3.42Å; F122-E126 HydrophobicContact CD1-CG 4.46Å; F122-E126 HydrophobicContact CD2-CG 4.19Å; F122-E126 HydrophobicContact CE1-CG 4.09Å; F122-E126 HydrophobicContact CE2-CG 3.78Å; F122-E126 HydrophobicContact CZ-CG 3.72Å; F122-E126 WeakPolarHBondContact O-CG 3.35Å; F122-E126 PolarHBondContact O-N 3.48Å; E126-Q129 PolarHBondContact O-N 3.31Å; E126-Q129 PolarHBondContact OE2-OE1 3.33Å; E126-G130 PolarHBondContact O-N 3.05Å; E126-V157 HydrophobicContact CB-CB 3.6Å; E126-V157 HydrophobicContact CB-CG1 3.93Å; E126-V157 HydrophobicContact CB-CG2 4.05Å; E126-V157 HydrophobicContact CG-CB 4.12Å; E126-V157 HydrophobicContact CG-CG2 4.09Å
127T98.2Very high95.5Very high6 Ų629.5 Ų29.54%0.03714%0.139CC..Hα-helixtrans-60.2-46.6171.4-58.40000111.7V123 R125 Q129 G130 L131 I149 V159 V208V123-T127 VanDerWaalsContact O-CB 3.29Å; V123-T127 WeakPolarHBondContact O-CB 3.09Å; V123-T127 PolarHBondContact O-N 2.89Å; V123-T127 PolarHBondContact O-OG1 3.3Å; R125-T127 VanDerWaalsContact C-N 3.29Å; R125-T127 PolarHBondContact O-N 3.47Å; T127-Q129 VanDerWaalsContact C-N 3.34Å; T127-Q129 PolarHBondContact O-N 3.44Å; T127-G130 PolarHBondContact O-N 2.83Å; T127-L131 HydrophobicContact CG2-CD1 4.16Å; T127-L131 WeakPolarHBondContact O-CG 3.3Å; T127-L131 PolarHBondContact O-N 3.29Å; T127-I149 HydrophobicContact CG2-CD1 3.7Å; T127-V159 HydrophobicContact CG2-CG2 4.13Å; T127-V208 HydrophobicContact CG2-CG2 4.04Å
128L98.3Very high94.7Very high0 Ų030.7 Ų30.70%016%0.161CC..Hα-helixtrans-67.3-30.2179-77165.3000113S124 R125 L131 N132 I205 V208 F257 A272 M275 L276 I281S124-L128 WeakPolarHBondContact O-CB 3.41Å; S124-L128 WeakPolarHBondContact O-CD1 3.4Å; S124-L128 VanDerWaalsContact O-CG 3.28Å; S124-L128 WeakPolarHBondContact O-CG 3.3Å; S124-L128 PolarHBondContact O-N 3.03Å; R125-L128 PolarHBondContact O-N 2.94Å; R125-L128 VanDerWaalsContact O-N 3.11Å; L128-L131 HydrophobicContact CD2-CD1 4.46Å; L128-N132 VanDerWaalsContact O-CB 3.24Å; L128-N132 WeakPolarHBondContact O-CB 3.34Å; L128-N132 PolarHBondContact O-N 3.33Å; L128-I205 HydrophobicContact CD2-CD1 3.58Å; L128-V208 HydrophobicContact CD1-CG1 4.46Å; L128-V208 HydrophobicContact CD2-CG2 4.23Å; L128-V208 HydrophobicContact CG-CG1 4.36Å; L128-F257 HydrophobicContact CD1-CE2 4.02Å; L128-F257 HydrophobicContact CD1-CZ 3.94Å; L128-A272 HydrophobicContact CD2-CB 4.36Å; L128-M275 HydrophobicContact CD1-CB 3.83Å; L128-M275 HydrophobicContact CD2-CB 4.08Å; L128-L276 HydrophobicContact CB-CD2 3.74Å; L128-L276 HydrophobicContact CB-CG 4.01Å; L128-I281 HydrophobicContact CD1-CD1 3.63Å
129Q97.8Very high93.8Very high57 Ų5730.2 Ų30.227%0.26615%0.154SC..Hα-helixtrans-65-45.6171.8-69.4167.7-18.300111.2N78 R125 E126 T127 N132 F133 L276N78-Q129 PolarHBondContact OD1-OE1 3.4Å; R125-Q129 WeakPolarHBondContact O-CG 3.5Å; R125-Q129 PolarHBondContact O-N 3.49Å; E126-Q129 PolarHBondContact O-N 3.31Å; E126-Q129 PolarHBondContact OE2-OE1 3.33Å; T127-Q129 VanDerWaalsContact C-N 3.34Å; T127-Q129 PolarHBondContact O-N 3.44Å; Q129-N132 PolarHBondContact O-N 2.85Å; Q129-F133 PolarHBondContact O-N 2.79Å; Q129-F133 VanDerWaalsContact O-N 3.1Å; Q129-L276 HydrophobicContact CG-CD1 4.31Å; Q129-L276 HydrophobicContact CG-CD2 3.74Å
130G95.8Very high93Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-59.5-46.7172.700000112.9E126 T127 F133 M134E126-G130 PolarHBondContact O-N 3.05Å; T127-G130 PolarHBondContact O-N 2.83Å; G130-F133 PolarHBondContact O-N 2.75Å; G130-M134 PolarHBondContact O-N 2.77Å; G130-M134 VanDerWaalsContact O-N 3.12Å
131L94.9Very high92.3Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-62.5-43.8176.3-73.6173.9000112.6T127 L128 F133 M134 H135 H141 I144 D204 V208 A272T127-L131 HydrophobicContact CG2-CD1 4.16Å; T127-L131 WeakPolarHBondContact O-CG 3.3Å; T127-L131 PolarHBondContact O-N 3.29Å; L128-L131 HydrophobicContact CD2-CD1 4.46Å; L131-F133 VanDerWaalsContact C-N 3.29Å; L131-F133 PolarHBondContact O-N 3.46Å; L131-M134 HydrophobicContact CD2-SD 4.47Å; L131-M134 WeakPolarHBondContact O-CB 3.49Å; L131-M134 PolarHBondContact O-N 2.68Å; L131-M134 VanDerWaalsContact O-N 3.09Å; L131-H135 WeakPolarHBondContact O-CB 3.29Å; L131-H135 PolarHBondContact O-CD2 3.13Å; L131-H135 VanDerWaalsContact O-CD2 3.29Å; L131-H135 PolarHBondContact O-N 3Å; L131-H141 HydrophobicContact CD2-CB 3.93Å; L131-I144 HydrophobicContact CD1-CD1 4.4Å; L131-I144 HydrophobicContact CD1-CG1 4.3Å; L131-I144 HydrophobicContact CD2-CD1 3.98Å; L131-I144 HydrophobicContact CD2-CG1 4.17Å; L131-I144 HydrophobicContact CG-CD1 4.47Å; L131-D204 HydrophobicContact CD1-CB 3.94Å; L131-D204 HydrophobicContact CD2-CB 3.71Å; L131-D204 HydrophobicContact CG-CB 4.44Å; L131-V208 HydrophobicContact CD1-CG2 3.57Å; L131-A272 HydrophobicContact CB-CB 4.37Å
132N95.8Very high91.5Very high40 Ų4035.4 Ų35.421%0.21418%0.175CC..Hα-helixtrans-57.5-43.9176.1-172.835000111.3L128 Q129 M134 H135 N136 A272 L276L128-N132 VanDerWaalsContact O-CB 3.24Å; L128-N132 WeakPolarHBondContact O-CB 3.34Å; L128-N132 PolarHBondContact O-N 3.33Å; Q129-N132 PolarHBondContact O-N 2.85Å; N132-M134 VanDerWaalsContact C-N 3.33Å; N132-M134 PolarHBondContact O-N 2.71Å; N132-H135 PolarHBondContact O-N 3.38Å; N132-N136 WeakPolarHBondContact O-CB 3.39Å; N132-N136 VanDerWaalsContact O-CG 3.28Å; N132-N136 PolarHBondContact O-N 2.9Å; N132-N136 PolarHBondContact O-ND2 3.3Å; N132-N136 PolarHBondContact OD1-ND2 3.45Å; N132-A272 HydrophobicContact CB-CB 3.66Å; N132-L276 HydrophobicContact CB-CD1 3.93Å
133F94Very high90.8Very high33 Ų3336.5 Ų36.515%0.14518%0.181CC..Hα-helixtrans-61.6-38175.6174.6-80.8000113R75 H76 I79 Q129 G130 L131R75-F133 VanDerWaalsContact O-CE2 3.32Å; R75-F133 WeakPolarHBondContact O-CE2 3.36Å; R75-F133 WeakPolarHBondContact O-CZ 3.32Å; H76-F133 HydrophobicContact CB-CB 4.32Å; H76-F133 HydrophobicContact CB-CD1 3.86Å; H76-F133 HydrophobicContact CB-CD2 3.99Å; H76-F133 HydrophobicContact CB-CE1 4.15Å; H76-F133 HydrophobicContact CB-CE2 4.23Å; H76-F133 HydrophobicContact CB-CG 3.79Å; H76-F133 HydrophobicContact CB-CZ 4.32Å; H76-F133 AromaticContact CD2-CD2 3.36Å; H76-F133 WeakPolarHBondContact CD2-CD2 3.48Å; H76-F133 AromaticContact CD2-CG 3.62Å; H76-F133 AromaticContact CG-CD2 3.91Å; H76-F133 AromaticContact CG-CG 3.77Å; I79-F133 HydrophobicContact CD1-CD1 3.84Å; I79-F133 HydrophobicContact CD1-CE1 4.36Å; Q129-F133 PolarHBondContact O-N 2.79Å; Q129-F133 VanDerWaalsContact O-N 3.1Å; G130-F133 PolarHBondContact O-N 2.75Å; L131-F133 VanDerWaalsContact C-N 3.29Å; L131-F133 PolarHBondContact O-N 3.46Å
134M90.3Very high90.5Very high1 Ų136.7 Ų36.71%0.00518%0.182CC..Hα-helixtrans-69.3-47.6174.7-70.1-177.572.100112.7I79 G130 L131 N132 N136 R137 G138 R139 H141 F162I79-M134 HydrophobicContact CD1-CG 3.84Å; I79-M134 HydrophobicContact CD1-SD 4.48Å; G130-M134 PolarHBondContact O-N 2.77Å; G130-M134 VanDerWaalsContact O-N 3.12Å; L131-M134 HydrophobicContact CD2-SD 4.47Å; L131-M134 WeakPolarHBondContact O-CB 3.49Å; L131-M134 PolarHBondContact O-N 2.68Å; L131-M134 VanDerWaalsContact O-N 3.09Å; N132-M134 VanDerWaalsContact C-N 3.33Å; N132-M134 PolarHBondContact O-N 2.71Å; M134-N136 VanDerWaalsContact C-N 3.32Å; M134-N136 PolarHBondContact O-N 3.21Å; M134-R137 CarbonylContact O-C 3.57Å; M134-R137 WeakPolarHBondContact O-CA 3.41Å; M134-R137 WeakPolarHBondContact O-CB 3.28Å; M134-R137 PolarHBondContact O-N 2.99Å; M134-G138 PolarHBondContact O-N 2.85Å; M134-R139 CarbonylContact C-O 3.5Å; M134-R139 HydrophobicContact CB-CB 4.2Å; M134-R139 HydrophobicContact CE-CB 4.07Å; M134-R139 PolarHBondContact O-N 3.27Å; M134-H141 HydrophobicContact CE-CB 4.27Å; M134-H141 HydrophobicContact SD-CB 4.4Å; M134-F162 HydrophobicContact CE-CD1 3.4Å; M134-F162 VanDerWaalsContact CE-CD1 3.4Å; M134-F162 HydrophobicContact CE-CE1 3.83Å; M134-F162 HydrophobicContact CE-CG 4.25Å; M134-F162 HydrophobicContact SD-CD1 3.68Å; M134-F162 HydrophobicContact SD-CE1 3.44Å; M134-F162 WeakPolarHBondContact SD-CE1 3.21Å
135H89.8Confident90.2Very high37 Ų3737.7 Ų37.717%0.17119%0.186CC..Hα-helixtrans-62.2-41.5-176.3-66.4179000110.7L131 N132 R137 G138 R139 G201 D204L131-H135 WeakPolarHBondContact O-CB 3.29Å; L131-H135 PolarHBondContact O-CD2 3.13Å; L131-H135 VanDerWaalsContact O-CD2 3.29Å; L131-H135 PolarHBondContact O-N 3Å; N132-H135 PolarHBondContact O-N 3.38Å; H135-R137 PolarHBondContact O-N 3.05Å; H135-R137 VanDerWaalsContact O-N 3.11Å; H135-G138 PolarHBondContact O-N 3.35Å; H135-R139 PolarHBondContact CD2-O 2.97Å; H135-G201 PolarHBondContact CE1-O 3.22Å; H135-G201 PolarHBondContact NE2-O 2.86Å; H135-D204 IonicContact CD2-OD2 3.3Å; H135-D204 IonicContact CE1-OD2 3.93Å; H135-D204 IonicContact NE2-OD2 2.68Å; H135-D204 PolarHBondContact NE2-OD2 2.8Å
136N89.7Confident90Very high118 Ų11835.2 Ų35.263%0.63118%0.177SC*.THydrogen-bonded Turntrans-66.4-7.5173.4-68.6-43.2000114.3N132 M134N132-N136 WeakPolarHBondContact O-CB 3.39Å; N132-N136 VanDerWaalsContact O-CG 3.28Å; N132-N136 PolarHBondContact O-N 2.9Å; N132-N136 PolarHBondContact O-ND2 3.3Å; N132-N136 PolarHBondContact OD1-ND2 3.45Å; M134-N136 VanDerWaalsContact C-N 3.32Å; M134-N136 PolarHBondContact O-N 3.21Å
137R84.1Confident89.5Confident130 Ų13035.6 Ų35.649%0.49118%0.183SC..THydrogen-bonded Turntrans-108.111171-74.9174.8163.964.15.1113.1M134 H135 R139M134-R137 CarbonylContact O-C 3.57Å; M134-R137 WeakPolarHBondContact O-CA 3.41Å; M134-R137 WeakPolarHBondContact O-CB 3.28Å; M134-R137 PolarHBondContact O-N 2.99Å; H135-R137 PolarHBondContact O-N 3.05Å; H135-R137 VanDerWaalsContact O-N 3.11Å; R137-R139 HydrophobicContact CB-CG 4.23Å; R137-R139 PolarHBondContact O-N 3.04Å
138G78.5Confident89.2Confident65 Ų6536 Ų3667%0.6719%0.185SC*.THydrogen-bonded Turntrans65.925-176.800000113.8M134 H135M134-G138 PolarHBondContact O-N 2.85Å; H135-G138 PolarHBondContact O-N 3.35Å
139R78.6Confident89.1Confident65 Ų6536 Ų3625%0.24519%0.185CC..  trans-106.5146.7176.4-51.5-56.8-172.9-167.82109.6H69 T70 M134 H135 R137H69-R139 PolarHBondContact CD2-NH2 3.43Å; H69-R139 PolarHBondContact NE2-NH2 3.47Å; T70-R139 HydrophobicContact CG2-CB 4.31Å; T70-R139 HydrophobicContact CG2-CG 3.95Å; M134-R139 CarbonylContact C-O 3.5Å; M134-R139 HydrophobicContact CB-CB 4.2Å; M134-R139 HydrophobicContact CE-CB 4.07Å; M134-R139 PolarHBondContact O-N 3.27Å; H135-R139 PolarHBondContact CD2-O 2.97Å; R137-R139 HydrophobicContact CB-CG 4.23Å; R137-R139 PolarHBondContact O-N 3.04Å
140I79.3Confident89.1Confident38 Ų3835.2 Ų35.220%0.19518%0.183CC..  trans-132.8138.9-177.5-53.5172.3000107.4R142 Y199 C203 D204I140-R142 HydrophobicContact CB-CG 4.28Å; I140-R142 HydrophobicContact CG2-CG 3.76Å; I140-Y199 HydrophobicContact CD1-CD2 4.33Å; I140-Y199 HydrophobicContact CD1-CE2 4.45Å; I140-Y199 WeakPolarHBondContact CD1-O 3.23Å; I140-Y199 HydrophobicContact CG2-CE2 4.35Å; I140-C203 VanDerWaalsContact CG2-SG 3.55Å; I140-D204 WeakPolarHBondContact CG2-OD2 3.44Å
141H84.6Confident89.1Confident0 Ų035.2 Ų35.20%018%0.183CC..  trans-85.4-40.1-172.9-165-52.4000114.3L131 M134 D143 I144 V159 A160 D161 F162 G163 D204L131-H141 HydrophobicContact CD2-CB 3.93Å; M134-H141 HydrophobicContact CE-CB 4.27Å; M134-H141 HydrophobicContact SD-CB 4.4Å; H141-D143 PolarHBondContact O-N 2.85Å; H141-D143 VanDerWaalsContact O-N 3.08Å; H141-I144 HydrophobicContact CB-CD1 3.97Å; H141-I144 HydrophobicContact CB-CG1 4.02Å; H141-I144 VanDerWaalsContact CD2-CD1 3.44Å; H141-I144 WeakPolarHBondContact CD2-CD1 3.43Å; H141-V159 WeakPolarHBondContact CD2-CG1 3.43Å; H141-V159 WeakPolarHBondContact NE2-CG1 3.28Å; H141-A160 PolarHBondContact CE1-O 3.1Å; H141-A160 PolarHBondContact NE2-O 3.06Å; H141-D161 PolarHBondContact CE1-O 2.99Å; H141-F162 AromaticContact CD2-CD1 3.35Å; H141-F162 WeakPolarHBondContact CD2-CD1 3.36Å; H141-F162 AromaticContact CD2-CE1 3.53Å; H141-F162 AromaticContact NE2-CD1 3.51Å; H141-F162 AromaticContact NE2-CE1 3.67Å; H141-G163 WeakPolarHBondContact O-CA 3.22Å; H141-G163 PolarHBondContact O-N 3.23Å; H141-D204 WeakPolarHBondContact CB-OD1 3.27Å; H141-D204 PolarHBondContact N-OD1 3.21Å; H141-D204 PolarHBondContact N-OD2 3.1Å
142R81Confident89.2Confident77 Ų7735.8 Ų35.829%0.29119%0.186SC..SBendtrans68.2-2.6171.9-51172.5170.7171.5-9.8117.3I140 A166 Y199 D204I140-R142 HydrophobicContact CB-CG 4.28Å; I140-R142 HydrophobicContact CG2-CG 3.76Å; R142-A166 HydrophobicContact CB-CB 4.44Å; R142-Y199 VanDerWaalsContact CD-OH 3.22Å; R142-Y199 WeakPolarHBondContact CD-OH 3.32Å; R142-Y199 HydrophobicContact CG-CE2 4.02Å; R142-Y199 PolarHBondContact NE-OH 2.9Å; R142-D204 PolarHBondContact N-OD1 3.09Å
143D83.1Confident89Confident23 Ų2337.1 Ų37.112%0.12319%0.193CC..  trans-149.149.5-175.7-164.334.2000111.1H141 K145 N148H141-D143 PolarHBondContact O-N 2.85Å; H141-D143 VanDerWaalsContact O-N 3.08Å; D143-K145 PolarHBondContact O-N 2.93Å; D143-K145 WeakPolarHBondContact OD1-CE 3.36Å; D143-K145 IonicContact OD1-NZ 3.27Å; D143-K145 PolarHBondContact OD1-NZ 2.99Å; D143-K145 VanDerWaalsContact OD2-CE 3.3Å; D143-K145 WeakPolarHBondContact OD2-CE 3.32Å; D143-K145 IonicContact OD2-NZ 2.79Å; D143-K145 PolarHBondContact OD2-NZ 3.27Å; D143-N148 PolarHBondContact O-ND2 2.83Å; D143-N148 PolarHBondContact OD2-ND2 2.97Å
144I92.1Very high89.1Confident4 Ų440.3 Ų40.32%0.02121%0.212CC..  trans-80.7114.6176.7-65.4-66.6000109.8L131 H141 I149 V159 W184 D204 V208 T211L131-I144 HydrophobicContact CD1-CD1 4.4Å; L131-I144 HydrophobicContact CD1-CG1 4.3Å; L131-I144 HydrophobicContact CD2-CD1 3.98Å; L131-I144 HydrophobicContact CD2-CG1 4.17Å; L131-I144 HydrophobicContact CG-CD1 4.47Å; H141-I144 HydrophobicContact CB-CD1 3.97Å; H141-I144 HydrophobicContact CB-CG1 4.02Å; H141-I144 VanDerWaalsContact CD2-CD1 3.44Å; H141-I144 WeakPolarHBondContact CD2-CD1 3.43Å; I144-I149 HydrophobicContact CD1-CD1 4.48Å; I144-V159 HydrophobicContact CD1-CG1 4.04Å; I144-W184 VanDerWaalsContact O-CD1 3.26Å; I144-D204 HydrophobicContact CG1-CB 4.23Å; I144-V208 HydrophobicContact CG2-CG2 3.94Å; I144-T211 PolarHBondContact O-OG1 3.01Å
145K92.7Very high89.3Confident25 Ų2540.3 Ų40.311%0.10921%0.212CC..SBendtrans-157.6161.9-178.961.7-166.6178.4-151.90110.1D143 A147 N148 T181 W184 T211D143-K145 PolarHBondContact O-N 2.93Å; D143-K145 WeakPolarHBondContact OD1-CE 3.36Å; D143-K145 IonicContact OD1-NZ 3.27Å; D143-K145 PolarHBondContact OD1-NZ 2.99Å; D143-K145 VanDerWaalsContact OD2-CE 3.3Å; D143-K145 WeakPolarHBondContact OD2-CE 3.32Å; D143-K145 IonicContact OD2-NZ 2.79Å; D143-K145 PolarHBondContact OD2-NZ 3.27Å; K145-A147 HydrophobicContact CG-CB 4.25Å; K145-A147 PolarHBondContact O-N 2.95Å; K145-A147 VanDerWaalsContact O-N 3.07Å; K145-N148 HydrophobicContact CG-CB 4.3Å; K145-N148 PolarHBondContact O-N 3.3Å; K145-T181 PolarHBondContact NZ-OG1 2.78Å; K145-W184 HydrophobicContact CB-CD2 3.76Å; K145-W184 VanDerWaalsContact CB-CE2 3.44Å; K145-W184 HydrophobicContact CB-CE3 4.48Å; K145-W184 HydrophobicContact CB-CG 3.87Å; K145-W184 HydrophobicContact CB-CZ2 3.92Å; K145-W184 VanDerWaalsContact CB-NE1 3.35Å; K145-T211 WeakPolarHBondContact CA-OG1 3.07Å
146G92.5Very high89.7Confident0 Ų042.8 Ų42.80%022%0.223CC..G310 helixtrans-58.8-22.9-176.800000115.8M104 Q105 E214M104-G146 PolarHBondContact N-O 3.17Å; Q105-G146 PolarHBondContact N-O 2.98Å; G146-E214 VanDerWaalsContact CA-OE1 3.28Å; G146-E214 WeakPolarHBondContact CA-OE1 3.42Å; G146-E214 PolarHBondContact N-OE1 3.15Å; G146-E214 VanDerWaalsContact N-OE1 3.12Å; G146-E214 PolarHBondContact N-OE2 2.91Å
147A89.1Confident90.1Very high29 Ų2937.2 Ų37.224%0.2419%0.193CC..G310 helixtrans-70.3-29.2172.900000113.6S103 Q105 K145S103-A147 VanDerWaalsContact CB-O 3.27Å; S103-A147 WeakPolarHBondContact CB-O 3.12Å; Q105-A147 HydrophobicContact CB-CB 4.31Å; K145-A147 HydrophobicContact CG-CB 4.25Å; K145-A147 PolarHBondContact O-N 2.95Å; K145-A147 VanDerWaalsContact O-N 3.07Å
148N92.2Very high90.7Very high14 Ų1432 Ų328%0.07517%0.174CC..G310 helixtrans-97.84.8-175.4-69.11000112.7D143 K145 A160D143-N148 PolarHBondContact O-ND2 2.83Å; D143-N148 PolarHBondContact OD2-ND2 2.97Å; K145-N148 HydrophobicContact CG-CB 4.3Å; K145-N148 PolarHBondContact O-N 3.3Å; N148-A160 PolarHBondContact O-N 2.8Å
149I96.1Very high91.4Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-109.4113.1172-52.9-58.2000107.8S103 M104 V123 T127 I144 V157 V159S103-I149 CarbonylContact C-O 3.53Å; S103-I149 WeakPolarHBondContact CA-O 3.23Å; M104-I149 HydrophobicContact CG-CB 4.04Å; M104-I149 HydrophobicContact CG-CG2 3.8Å; M104-I149 PolarHBondContact N-O 2.98Å; V123-I149 HydrophobicContact CG1-CG2 3.94Å; T127-I149 HydrophobicContact CG2-CD1 3.7Å; I144-I149 HydrophobicContact CD1-CD1 4.48Å; I149-V157 HydrophobicContact CG2-CG1 3.63Å; I149-V159 HydrophobicContact CD1-CG2 4.01Å
150L96.3Very high92Very high40 Ų4026.1 Ų26.121%0.20913%0.134CC..EExtended strand (participates in β ladder)trans-106.5157.1-176.5-47.7-177.1000111.7V80 C99 Q102 K158 A160V80-L150 HydrophobicContact CG2-CD1 4.16Å; C99-L150 HydrophobicContact CB-CB 3.6Å; C99-L150 HydrophobicContact CB-CD1 3.86Å; C99-L150 HydrophobicContact CB-CG 4.39Å; Q102-L150 WeakPolarHBondContact O-CA 3.36Å; L150-K158 HydrophobicContact CB-CB 4.32Å; L150-K158 PolarHBondContact N-O 2.59Å; L150-K158 PolarHBondContact O-N 2.7Å; L150-A160 HydrophobicContact CD1-CB 3.78Å; L150-A160 HydrophobicContact CG-CB 3.91Å
151L97.2Very high91.8Very high0 Ų027.3 Ų27.30%014%0.14CC..EExtended strand (participates in β ladder)trans-111.5140.2168.7-60.7-170.8000111.9C99 G101 Q102 M104 I107 H156 V157 T291 L295C99-L151 CarbonylContact C-O 3.51Å; C99-L151 WeakPolarHBondContact CA-O 3.37Å; C99-L151 WeakPolarHBondContact CB-O 3.43Å; G101-L151 VanDerWaalsContact CA-O 3.28Å; G101-L151 WeakPolarHBondContact CA-O 3.2Å; G101-L151 PolarHBondContact N-O 3.48Å; Q102-L151 PolarHBondContact O-N 3.45Å; M104-L151 HydrophobicContact SD-CD1 3.91Å; M104-L151 HydrophobicContact SD-CD2 3.82Å; M104-L151 HydrophobicContact SD-CG 3.78Å; I107-L151 HydrophobicContact CD1-CD1 3.5Å; I107-L151 VanDerWaalsContact CD1-CD1 3.5Å; I107-L151 HydrophobicContact CD1-CG 3.95Å; L151-H156 CarbonylContact C-O 3.54Å; L151-H156 WeakPolarHBondContact CA-O 3.41Å; L151-V157 HydrophobicContact CD2-CB 4.3Å; L151-V157 HydrophobicContact CD2-CG2 3.7Å; L151-T291 HydrophobicContact CD1-CG2 3.92Å; L151-T291 HydrophobicContact CD2-CG2 3.77Å; L151-L295 HydrophobicContact CB-CD1 4.3Å; L151-L295 HydrophobicContact CD1-CD1 4.09Å; L151-L295 HydrophobicContact CD1-CD2 4.03Å; L151-L295 HydrophobicContact CD1-CG 3.9Å
152T96Very high91Very high12 Ų1227.9 Ų27.97%0.07414%0.143CC..  trans-70.3167.316273.90000110.7D154 G155 H156 K158 L295T152-D154 PolarHBondContact O-N 3.17Å; T152-D154 PolarHBondContact OG1-N 2.81Å; T152-D154 PolarHBondContact OG1-OD2 3.08Å; T152-G155 PolarHBondContact O-N 2.98Å; T152-G155 PolarHBondContact OG1-N 3.17Å; T152-H156 HydrophobicContact CG2-CB 3.98Å; T152-H156 PolarHBondContact N-O 2.76Å; T152-H156 PolarHBondContact OG1-N 2.99Å; T152-H156 VanDerWaalsContact OG1-N 3.1Å; T152-K158 HydrophobicContact CG2-CG 4.07Å; T152-L295 WeakPolarHBondContact O-CD1 3.34Å
153D92.5Very high89.6Confident69 Ų6924.3 Ų24.337%0.36913%0.13SC..THydrogen-bonded Turntrans-60.3-26.1176-85.7-65.1000113.4G100 G155 R299G100-D153 WeakPolarHBondContact CA-OD2 3.33Å; D153-G155 VanDerWaalsContact C-N 3.35Å; D153-R299 PolarHBondContact O-NH1 3.1Å; D153-R299 PolarHBondContact O-NH2 3.33Å; D153-R299 IonicContact OD1-CZ 3.95Å; D153-R299 IonicContact OD1-NH2 2.78Å; D153-R299 PolarHBondContact OD1-NH2 2.84Å
154D94.6Very high87.8Confident100 Ų10023.9 Ų23.954%0.53513%0.128SC..THydrogen-bonded Turntrans-86.50.1175-34.9-83.1000113.4T152 T288 Q292T152-D154 PolarHBondContact O-N 3.17Å; T152-D154 PolarHBondContact OG1-N 2.81Å; T152-D154 PolarHBondContact OG1-OD2 3.08Å; D154-T288 WeakPolarHBondContact O-CG2 3.34Å; D154-Q292 WeakPolarHBondContact O-CG 3.06Å; D154-Q292 PolarHBondContact O-NE2 3.16Å
155G95.2Very high85.4Confident0 Ų024.2 Ų24.20%013%0.131CC..  trans869177.600000116.2T152 D153 T288 T291T152-G155 PolarHBondContact O-N 2.98Å; T152-G155 PolarHBondContact OG1-N 3.17Å; D153-G155 VanDerWaalsContact C-N 3.35Å; G155-T288 VanDerWaalsContact C-CG2 3.47Å; G155-T288 WeakPolarHBondContact O-CG2 3.33Å; G155-T291 VanDerWaalsContact O-CB 3.27Å; G155-T291 WeakPolarHBondContact O-CB 3.29Å; G155-T291 PolarHBondContact O-OG1 3.34Å
156H97.6Very high82.9Confident90 Ų9023.9 Ų23.942%0.41713%0.134SC..  trans-69.5133.1175.1-67.6-74000111.1L151 T152L151-H156 CarbonylContact C-O 3.54Å; L151-H156 WeakPolarHBondContact CA-O 3.41Å; T152-H156 HydrophobicContact CG2-CB 3.98Å; T152-H156 PolarHBondContact N-O 2.76Å; T152-H156 PolarHBondContact OG1-N 2.99Å; T152-H156 VanDerWaalsContact OG1-N 3.1Å
157V98.2Very high80.3Confident0 Ų027.7 Ų27.70%015%0.151CC..EExtended strand (participates in β ladder)trans-84.2131.5-176.5-179.40000110.4N78 F122 V123 E126 I149 L151 T291N78-V157 VanDerWaalsContact CA-O 3.32Å; N78-V157 WeakPolarHBondContact CA-O 3.3Å; F122-V157 HydrophobicContact CD1-CG2 4.28Å; F122-V157 HydrophobicContact CE1-CG2 3.77Å; V123-V157 HydrophobicContact CG1-CG1 4.14Å; V123-V157 HydrophobicContact CG2-CG2 4.03Å; E126-V157 HydrophobicContact CB-CB 3.6Å; E126-V157 HydrophobicContact CB-CG1 3.93Å; E126-V157 HydrophobicContact CB-CG2 4.05Å; E126-V157 HydrophobicContact CG-CB 4.12Å; E126-V157 HydrophobicContact CG-CG2 4.09Å; I149-V157 HydrophobicContact CG2-CG1 3.63Å; L151-V157 HydrophobicContact CD2-CB 4.3Å; L151-V157 HydrophobicContact CD2-CG2 3.7Å; V157-T291 HydrophobicContact CG2-CG2 4.11Å
158K96.8Very high77.7Confident21 Ų2127.2 Ų27.29%0.09115%0.145CC..EExtended strand (participates in β ladder)trans-132.7123.6-171.2-66.3-74.9-174.1168.10111.3P77 I79 V80 E97 L150 T152P77-K158 WeakPolarHBondContact O-CD 3.5Å; P77-K158 WeakPolarHBondContact O-CE 3.41Å; P77-K158 PolarHBondContact O-NZ 3.17Å; I79-K158 WeakPolarHBondContact O-CD 3.23Å; I79-K158 PolarHBondContact O-NZ 2.87Å; V80-K158 HydrophobicContact CG2-CB 3.85Å; E97-K158 VanDerWaalsContact CD-CE 3.47Å; E97-K158 WeakPolarHBondContact OE1-CE 3.33Å; E97-K158 IonicContact OE1-NZ 2.8Å; E97-K158 PolarHBondContact OE1-NZ 3.08Å; E97-K158 WeakPolarHBondContact OE2-CE 3.34Å; E97-K158 IonicContact OE2-NZ 3.67Å; E97-K158 PolarHBondContact OE2-NZ 2.8Å; L150-K158 HydrophobicContact CB-CB 4.32Å; L150-K158 PolarHBondContact N-O 2.59Å; L150-K158 PolarHBondContact O-N 2.7Å; T152-K158 HydrophobicContact CG2-CG 4.07Å
159V94.8Very high75Confident0 Ų027.2 Ų27.20%015%0.146CC..EExtended strand (participates in β ladder)trans-82.9131.5172.9-177.90000109.9N78 V80 T127 H141 I144 I149 F162N78-V159 WeakPolarHBondContact O-CG2 3.47Å; N78-V159 PolarHBondContact O-N 3.4Å; V80-V159 PolarHBondContact N-O 3.03Å; T127-V159 HydrophobicContact CG2-CG2 4.13Å; H141-V159 WeakPolarHBondContact CD2-CG1 3.43Å; H141-V159 WeakPolarHBondContact NE2-CG1 3.28Å; I144-V159 HydrophobicContact CD1-CG1 4.04Å; I149-V159 HydrophobicContact CD1-CG2 4.01Å; V159-F162 HydrophobicContact CG1-CE1 3.9Å; V159-F162 HydrophobicContact CG1-CZ 4.48Å
160A89.5Confident72.1Confident7 Ų731.1 Ų31.16%0.05817%0.17CC..  trans-135.9164.8-170.800000113.1V80 H141 N148 L150V80-A160 HydrophobicContact CB-CB 4.43Å; V80-A160 HydrophobicContact CG2-CB 3.66Å; H141-A160 PolarHBondContact CE1-O 3.1Å; H141-A160 PolarHBondContact NE2-O 3.06Å; N148-A160 PolarHBondContact O-N 2.8Å; L150-A160 HydrophobicContact CD1-CB 3.78Å; L150-A160 HydrophobicContact CG-CB 3.91Å
161D75.7Confident69.2Low62 Ų6232.1 Ų32.133%0.33218%0.18SC..  trans57.459.5174-95.530000115.3K51 H141 G163K51-D161 IonicContact NZ-OD1 3.42Å; K51-D161 PolarHBondContact NZ-OD1 3.05Å; K51-D161 IonicContact NZ-OD2 3.71Å; K51-D161 PolarHBondContact NZ-OD2 3.4Å; H141-D161 PolarHBondContact CE1-O 2.99Å; D161-G163 PolarHBondContact O-N 3.15Å
162F68.3Low66.1Low12 Ų1235.5 Ų35.55%0.05320%0.197CC..  trans-58.1129.4178.4-55.3-65.4000113.2L71 I79 M134 H141 V159 V164L71-F162 HydrophobicContact CD2-CD2 3.62Å; L71-F162 HydrophobicContact CD2-CE2 3.84Å; L71-F162 HydrophobicContact CG-CD2 4.24Å; I79-F162 HydrophobicContact CB-CZ 4.5Å; I79-F162 HydrophobicContact CG1-CZ 4.27Å; I79-F162 HydrophobicContact CG2-CE2 4.16Å; I79-F162 HydrophobicContact CG2-CZ 3.72Å; M134-F162 HydrophobicContact CE-CD1 3.4Å; M134-F162 VanDerWaalsContact CE-CD1 3.4Å; M134-F162 HydrophobicContact CE-CE1 3.83Å; M134-F162 HydrophobicContact CE-CG 4.25Å; M134-F162 HydrophobicContact SD-CD1 3.68Å; M134-F162 HydrophobicContact SD-CE1 3.44Å; M134-F162 WeakPolarHBondContact SD-CE1 3.21Å; H141-F162 AromaticContact CD2-CD1 3.35Å; H141-F162 WeakPolarHBondContact CD2-CD1 3.36Å; H141-F162 AromaticContact CD2-CE1 3.53Å; H141-F162 AromaticContact NE2-CD1 3.51Å; H141-F162 AromaticContact NE2-CE1 3.67Å; V159-F162 HydrophobicContact CG1-CE1 3.9Å; V159-F162 HydrophobicContact CG1-CZ 4.48Å; F162-V164 VanDerWaalsContact C-N 3.29Å; F162-V164 PolarHBondContact O-N 3.04Å
163G51.2Low63.2Low3 Ų337.1 Ų37.13%0.03121%0.212CC..THydrogen-bonded Turntrans-76.148.8-159.200000118.2H141 D161 A166H141-G163 WeakPolarHBondContact O-CA 3.22Å; H141-G163 PolarHBondContact O-N 3.23Å; D161-G163 PolarHBondContact O-N 3.15Å; G163-A166 PolarHBondContact O-N 2.85Å; G163-A166 VanDerWaalsContact O-N 3.12Å
164V44.7Very low60.5Low14 Ų1443.2 Ų43.29%0.08524%0.235CC..THydrogen-bonded Turntrans-68.3-25.1159179.10000110.7S63 E67 F162 A166 Q167 L168S63-V164 WeakPolarHBondContact O-CG1 3.27Å; E67-V164 HydrophobicContact CB-CB 3.87Å; E67-V164 HydrophobicContact CB-CG1 4.09Å; E67-V164 HydrophobicContact CB-CG2 3.7Å; E67-V164 HydrophobicContact CG-CB 3.91Å; E67-V164 HydrophobicContact CG-CG2 3.89Å; F162-V164 VanDerWaalsContact C-N 3.29Å; F162-V164 PolarHBondContact O-N 3.04Å; V164-A166 PolarHBondContact O-N 2.82Å; V164-A166 VanDerWaalsContact O-N 3.09Å; V164-Q167 WeakPolarHBondContact O-CA 3.47Å; V164-Q167 PolarHBondContact O-N 3.43Å; V164-L168 HydrophobicContact CG1-CD1 4.37Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 PolarHBondContact O-N 3.25Å
165A42.9Very low57.6Low10 Ų1048.1 Ų48.18%0.08325%0.246CC..Hα-helixtrans-25.6-52.115000000114.6Y33 Q167 S169Y33-A165 HydrophobicContact CD2-CB 4.24Å; Y33-A165 HydrophobicContact CE1-CB 4.09Å; Y33-A165 HydrophobicContact CE2-CB 3.36Å; Y33-A165 VanDerWaalsContact OH-CB 3.3Å; Y33-A165 WeakPolarHBondContact OH-CB 3.49Å; Y33-A165 PolarHBondContact OH-O 2.85Å; A165-Q167 VanDerWaalsContact C-N 3.34Å; A165-Q167 PolarHBondContact O-N 2.81Å; A165-S169 PolarHBondContact O-N 2.93Å; A165-S169 VanDerWaalsContact O-N 3.1Å; A165-S169 PolarHBondContact O-OG 2.86Å
166A38.9Very low54.6Low19 Ų1955.3 Ų55.316%0.15729%0.29CS..Hα-helixtrans-84.70.6-176.400000114.6R142 G163 V164 S169R142-A166 HydrophobicContact CB-CB 4.44Å; G163-A166 PolarHBondContact O-N 2.85Å; G163-A166 VanDerWaalsContact O-N 3.12Å; V164-A166 PolarHBondContact O-N 2.82Å; V164-A166 VanDerWaalsContact O-N 3.09Å; A166-S169 VanDerWaalsContact CA-OG 3.29Å; A166-S169 WeakPolarHBondContact CA-OG 3.33Å; A166-S169 PolarHBondContact O-OG 3.28Å; A166-S169 VanDerWaalsContact O-OG 3.12Å
167Q39.4Very low51.6Low79 Ų7954.8 Ų54.837%0.36929%0.294SS..Hα-helixtrans-109.5-34.7170.1-85.2-176.3-56.400112.4V164 A165 S169 T170 S171V164-Q167 WeakPolarHBondContact O-CA 3.47Å; V164-Q167 PolarHBondContact O-N 3.43Å; A165-Q167 VanDerWaalsContact C-N 3.34Å; A165-Q167 PolarHBondContact O-N 2.81Å; Q167-S169 PolarHBondContact O-N 3.19Å; Q167-T170 WeakPolarHBondContact O-CA 3.43Å; Q167-T170 PolarHBondContact O-N 3.32Å; Q167-T170 PolarHBondContact O-OG1 2.81Å; Q167-S171 PolarHBondContact O-N 2.91Å
168L33.1Very low48.5Very low20 Ų2058.4 Ų58.411%0.10531%0.313CS..Hα-helixtrans-59-37.5163.7-72.8165.9000110.6D60 I64 V164 T170 S171 I172D60-L168 HydrophobicContact CB-CD2 4.33Å; I64-L168 HydrophobicContact CD1-CD2 4.37Å; I64-L168 HydrophobicContact CG1-CD1 4.04Å; I64-L168 HydrophobicContact CG1-CD2 4.18Å; V164-L168 HydrophobicContact CG1-CD1 4.37Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 PolarHBondContact O-N 3.25Å; L168-T170 PolarHBondContact O-N 3.41Å; L168-S171 PolarHBondContact O-N 2.87Å; L168-S171 PolarHBondContact O-OG 2.9Å; L168-S171 VanDerWaalsContact O-OG 3.13Å; L168-I172 WeakPolarHBondContact O-CB 3.09Å; L168-I172 WeakPolarHBondContact O-CG1 3.47Å; L168-I172 PolarHBondContact O-N 2.9Å
169S35.6Very low45.8Very low13 Ų1360 Ų609%0.09132%0.322CS..Hα-helixtrans-61.5-28.4169.369.50000113.2A165 A166 Q167 I172 A173A165-S169 PolarHBondContact O-N 2.93Å; A165-S169 VanDerWaalsContact O-N 3.1Å; A165-S169 PolarHBondContact O-OG 2.86Å; A166-S169 VanDerWaalsContact CA-OG 3.29Å; A166-S169 WeakPolarHBondContact CA-OG 3.33Å; A166-S169 PolarHBondContact O-OG 3.28Å; A166-S169 VanDerWaalsContact O-OG 3.12Å; Q167-S169 PolarHBondContact O-N 3.19Å; S169-I172 PolarHBondContact O-N 2.91Å; S169-A173 WeakPolarHBondContact O-CA 3.31Å; S169-A173 WeakPolarHBondContact O-CB 3.48Å; S169-A173 PolarHBondContact O-N 3.37Å
170T36.7Very low43.5Very low82 Ų8262 Ų6250%0.50334%0.342SS..Hα-helixtrans-78.2-25.8177.860.30000114.4Q167 L168 I179Q167-T170 WeakPolarHBondContact O-CA 3.43Å; Q167-T170 PolarHBondContact O-N 3.32Å; Q167-T170 PolarHBondContact O-OG1 2.81Å; L168-T170 PolarHBondContact O-N 3.41Å; T170-I179 HydrophobicContact CG2-CD1 4.01Å
171S34.9Very low42.1Very low61 Ų6164.1 Ų64.143%0.42735%0.354SS..Hα-helixtrans-80.5-27.4169.138.20000112.2Q167 L168Q167-S171 PolarHBondContact O-N 2.91Å; L168-S171 PolarHBondContact O-N 2.87Å; L168-S171 PolarHBondContact O-OG 2.9Å; L168-S171 VanDerWaalsContact O-OG 3.13Å
172I32.2Very low42Very low71 Ų7161.2 Ų61.236%0.36434%0.339SS..Hα-helixtrans-80.2-28.7171.9-65.5168.6000112.3L168 S169 K174 R175L168-I172 WeakPolarHBondContact O-CB 3.09Å; L168-I172 WeakPolarHBondContact O-CG1 3.47Å; L168-I172 PolarHBondContact O-N 2.9Å; S169-I172 PolarHBondContact O-N 2.91Å; I172-K174 PolarHBondContact O-N 2.79Å; I172-R175 PolarHBondContact O-N 2.89Å
173A35.2Very low43Very low47 Ų4761.6 Ų61.639%0.38834%0.34SS..THydrogen-bonded Turntrans-57.8-5.7-172.900000116.6S169 R175 I179S169-A173 WeakPolarHBondContact O-CA 3.31Å; S169-A173 WeakPolarHBondContact O-CB 3.48Å; S169-A173 PolarHBondContact O-N 3.37Å; A173-R175 PolarHBondContact O-N 3.14Å; A173-I179 HydrophobicContact CB-CD1 4.14Å; A173-I179 HydrophobicContact CB-CG1 4.47Å
174K34.6Very low44.8Very low196 Ų19662.3 Ų62.385%0.85234%0.342SS*.THydrogen-bonded Turntrans-70.9-9.2165.1-67.6-171.6176.8-1780113I172I172-K174 PolarHBondContact O-N 2.79Å
175R33.4Very low46.8Very low204 Ų20462.9 Ų62.977%0.7734%0.344SS*.SBendtrans-142.7115.5175.6-63-175.4178.6132.1-1.4112.2I172 A173 T177I172-R175 PolarHBondContact O-N 2.89Å; A173-R175 PolarHBondContact O-N 3.14Å; R175-T177 PolarHBondContact O-N 3.02Å
176T33Very low48.9Very low150 Ų15062.5 Ų62.592%0.9234%0.341SS*.SBendtrans60.1-21.4151.9610000123.2
177T33.9Very low51.1Low80 Ų8062 Ų6249%0.49134%0.336SS..PPolyproline II helixtrans-102.8124.2-179.159.60000114R175R175-T177 PolarHBondContact O-N 3.02Å
178L34.3Very low53.1Low76 Ų7659.5 Ų59.540%0.39832%0.324SS..PPolyproline II helixtrans-66.3144178.7-151.677.1000111.9P182 P227 R228 L231L178-P182 HydrophobicContact CD2-CG 4.36Å; L178-P227 HydrophobicContact CD2-CB 3.5Å; L178-P227 VanDerWaalsContact CD2-CB 3.5Å; L178-R228 HydrophobicContact CD1-CG 4.24Å; L178-L231 HydrophobicContact CD1-CD2 4.22Å; L178-L231 HydrophobicContact CG-CD2 4.48Å
179I38.7Very low55.1Low54 Ų5460 Ų6028%0.27733%0.328SS..SBendtrans-80.2123.8-174.9-63.1175.2000111.2T170 A173 M185T170-I179 HydrophobicContact CG2-CD1 4.01Å; A173-I179 HydrophobicContact CB-CD1 4.14Å; A173-I179 HydrophobicContact CB-CG1 4.47Å; I179-M185 VanDerWaalsContact O-SD 3.38Å
180G47Very low56.3Low41 Ų4160.3 Ų60.342%0.42333%0.331SS..SBendtrans69.5179.517500000113.9P182G180-P182 WeakPolarHBondContact O-CD 3.29Å
181T60.6Low57.4Low52 Ų5257.7 Ų57.732%0.31932%0.316SS..  trans-94.8102.4168-29.70000107.2K145 Y183 W184K145-T181 PolarHBondContact NZ-OG1 2.78Å; T181-Y183 HydrophobicContact CG2-CD2 4.09Å; T181-Y183 HydrophobicContact CG2-CE2 4.19Å; T181-Y183 PolarHBondContact O-N 3.12Å; T181-W184 HydrophobicContact CG2-CE3 4.15Å; T181-W184 HydrophobicContact CG2-CZ3 3.6Å; T181-W184 PolarHBondContact O-N 2.88Å
182P73.9Confident58.3Low2 Ų257.7 Ų57.71%0.01331%0.311CS..G310 helixtrans-67.6-21.1-153.322.2-33.4000114.8L178 G180 W184 M185 P227 A230 L231 L234L178-P182 HydrophobicContact CD2-CG 4.36Å; G180-P182 WeakPolarHBondContact O-CD 3.29Å; P182-W184 PolarHBondContact O-N 3.07Å; P182-W184 VanDerWaalsContact O-N 3.16Å; P182-M185 HydrophobicContact CB-SD 4.04Å; P182-M185 WeakPolarHBondContact O-CB 3.44Å; P182-M185 PolarHBondContact O-N 2.95Å; P182-P227 HydrophobicContact CG-CB 3.71Å; P182-P227 WeakPolarHBondContact CG-O 3.29Å; P182-A230 HydrophobicContact CG-CB 4.36Å; P182-L231 HydrophobicContact CB-CB 4.49Å; P182-L234 WeakPolarHBondContact O-CD1 3.39Å
183Y87.5Confident58.9Low19 Ų1964.1 Ų64.18%0.07534%0.34CS..G310 helixtrans-59.1-27.3-178.8-40.1-68.6000113.7T181 P220 M222 F223 L225 P227 A230T181-Y183 HydrophobicContact CG2-CD2 4.09Å; T181-Y183 HydrophobicContact CG2-CE2 4.19Å; T181-Y183 PolarHBondContact O-N 3.12Å; Y183-P220 HydrophobicContact CD2-CG 4.26Å; Y183-P220 HydrophobicContact CG-CG 4.1Å; Y183-M222 HydrophobicContact CD1-CB 4.33Å; Y183-M222 WeakPolarHBondContact CD1-O 3.41Å; Y183-M222 WeakPolarHBondContact CE1-O 3.49Å; Y183-F223 AromaticContact CD2-CD2 3.9Å; Y183-F223 HydrophobicContact CD2-CD2 3.9Å; Y183-F223 AromaticContact CE2-CD2 3.84Å; Y183-F223 HydrophobicContact CE2-CD2 3.84Å; Y183-F223 HydrophobicContact CE2-CE2 4.28Å; Y183-F223 HydrophobicContact CG-CD2 4.49Å; Y183-L225 PolarHBondContact OH-O 3.12Å; Y183-P227 WeakPolarHBondContact OH-CD 3.32Å; Y183-A230 HydrophobicContact CD1-CB 3.88Å; Y183-A230 HydrophobicContact CE1-CB 3.75Å
184W90.4Very high58.9Low19 Ų1966.1 Ų66.17%0.07235%0.351CS..G310 helixtrans-94.3-7.3175-64.1-102.9000113.9I144 K145 T181 P182 I210 E214 P220I144-W184 VanDerWaalsContact O-CD1 3.26Å; K145-W184 HydrophobicContact CB-CD2 3.76Å; K145-W184 VanDerWaalsContact CB-CE2 3.44Å; K145-W184 HydrophobicContact CB-CE3 4.48Å; K145-W184 HydrophobicContact CB-CG 3.87Å; K145-W184 HydrophobicContact CB-CZ2 3.92Å; K145-W184 VanDerWaalsContact CB-NE1 3.35Å; T181-W184 HydrophobicContact CG2-CE3 4.15Å; T181-W184 HydrophobicContact CG2-CZ3 3.6Å; T181-W184 PolarHBondContact O-N 2.88Å; P182-W184 PolarHBondContact O-N 3.07Å; P182-W184 VanDerWaalsContact O-N 3.16Å; W184-I210 HydrophobicContact CB-CG2 4.34Å; W184-I210 VanDerWaalsContact CD1-CG2 3.46Å; W184-I210 HydrophobicContact CD2-CG2 4.42Å; W184-I210 HydrophobicContact CG-CB 4.35Å; W184-I210 HydrophobicContact CG-CG2 3.81Å; W184-E214 HydrophobicContact CZ2-CG 4.27Å; W184-E214 WeakPolarHBondContact CZ2-OE2 3.2Å; W184-E214 PolarHBondContact NE1-OE2 2.93Å; W184-P220 HydrophobicContact CD2-CB 4.26Å; W184-P220 HydrophobicContact CD2-CG 4.38Å; W184-P220 HydrophobicContact CE3-CG 4.29Å; W184-P220 HydrophobicContact CH2-CB 4.38Å; W184-P220 HydrophobicContact CH2-CG 3.6Å; W184-P220 HydrophobicContact CZ2-CB 4.01Å; W184-P220 HydrophobicContact CZ2-CG 3.67Å; W184-P220 HydrophobicContact CZ3-CG 3.91Å
185M86.3Confident59Low26 Ų2665.9 Ų65.913%0.12834%0.344CS..  trans-68.6136.5-177-69.6176.77400111.6I179 P182 V189 W206 L231 L234I179-M185 VanDerWaalsContact O-SD 3.38Å; P182-M185 HydrophobicContact CB-SD 4.04Å; P182-M185 WeakPolarHBondContact O-CB 3.44Å; P182-M185 PolarHBondContact O-N 2.95Å; M185-V189 HydrophobicContact CE-CG1 3.81Å; M185-W206 PolarHBondContact O-NE1 3.47Å; M185-W206 VanDerWaalsContact O-NE1 3.12Å; M185-L231 HydrophobicContact CE-CD1 4.1Å; M185-L231 HydrophobicContact SD-CD1 4.01Å; M185-L234 HydrophobicContact CB-CD1 4.4Å
186A86.7Confident58.9Low2 Ų260 Ų602%0.01735%0.347CS..  trans-71.1145.7172.500000111.1E188 V189 A190 C203 W206A186-E188 VanDerWaalsContact C-N 3.26Å; A186-E188 WeakPolarHBondContact CB-OE1 3.31Å; A186-E188 PolarHBondContact O-N 3.32Å; A186-V189 HydrophobicContact CB-CG2 4.16Å; A186-V189 WeakPolarHBondContact O-CA 3.17Å; A186-V189 WeakPolarHBondContact O-CB 3.49Å; A186-V189 PolarHBondContact O-N 3.36Å; A186-A190 PolarHBondContact O-N 3.42Å; A186-C203 HydrophobicContact CB-CB 4.04Å; A186-W206 VanDerWaalsContact CA-CD1 3.46Å; A186-W206 HydrophobicContact CB-CB 3.73Å; A186-W206 HydrophobicContact CB-CD2 4.16Å; A186-W206 HydrophobicContact CB-CG 3.62Å
187P86.2Confident59Low8 Ų856.9 Ų56.95%0.05233%0.332CS..THydrogen-bonded Turntrans-65.8-26.2-172.625.5-34.5000113.1S191 W206 Y239 K264P187-S191 PolarHBondContact O-N 3.12Å; P187-W206 HydrophobicContact CG-CE3 4.35Å; P187-W206 HydrophobicContact CG-CH2 3.98Å; P187-W206 HydrophobicContact CG-CZ2 4.34Å; P187-W206 HydrophobicContact CG-CZ3 3.96Å; P187-Y239 HydrophobicContact CB-CD1 4.19Å; P187-Y239 HydrophobicContact CB-CE1 4.31Å; P187-K264 HydrophobicContact CB-CG 4.44Å; P187-K264 HydrophobicContact CG-CG 3.93Å
188E81.5Confident59.6Low26 Ų2656.6 Ų56.612%0.12134%0.344CS..THydrogen-bonded Turntrans-66.7-41.2169.266.6-75.9177.100112A186 S191 E266 R269A186-E188 VanDerWaalsContact C-N 3.26Å; A186-E188 WeakPolarHBondContact CB-OE1 3.31Å; A186-E188 PolarHBondContact O-N 3.32Å; E188-S191 PolarHBondContact O-N 3.28Å; E188-S191 PolarHBondContact O-OG 3.1Å; E188-E266 HydrophobicContact CG-CB 4.26Å; E188-E266 HydrophobicContact CG-CG 4.45Å; E188-R269 IonicContact OE1-CZ 3.4Å; E188-R269 IonicContact OE1-NH1 3.76Å; E188-R269 PolarHBondContact OE1-NH1 3.37Å; E188-R269 IonicContact OE1-NH2 2.62Å; E188-R269 PolarHBondContact OE1-NH2 2.9Å; E188-R269 IonicContact OE2-CZ 3.79Å; E188-R269 IonicContact OE2-NH1 2.79Å; E188-R269 IonicContact OE2-NH2 3.35Å; E188-R269 PolarHBondContact OE2-NH2 2.88Å
189V74.6Confident60.7Low30 Ų3055.4 Ų55.418%0.18234%0.335CS..G310 helixtrans-67-41179-176.50000111.2M185 A186 S191 I192 Y199 C203M185-V189 HydrophobicContact CE-CG1 3.81Å; A186-V189 HydrophobicContact CB-CG2 4.16Å; A186-V189 WeakPolarHBondContact O-CA 3.17Å; A186-V189 WeakPolarHBondContact O-CB 3.49Å; A186-V189 PolarHBondContact O-N 3.36Å; V189-S191 PolarHBondContact O-N 2.83Å; V189-S191 VanDerWaalsContact O-N 3.11Å; V189-I192 HydrophobicContact CB-CD1 4.29Å; V189-I192 HydrophobicContact CG1-CD1 4Å; V189-I192 WeakPolarHBondContact O-CG1 3.5Å; V189-I192 PolarHBondContact O-N 3.32Å; V189-Y199 HydrophobicContact CG2-CD1 4.47Å; V189-Y199 HydrophobicContact CG2-CD2 4.37Å; V189-Y199 HydrophobicContact CG2-CG 4.24Å; V189-C203 HydrophobicContact CG2-CB 3.64Å
190A61.3Low62.1Low20 Ų2055.8 Ų55.817%0.16534%0.337CS..G310 helixtrans-62.5-12.6172.500000114.2A186 L231 L234A186-A190 PolarHBondContact O-N 3.42Å; A190-L231 HydrophobicContact CB-CD1 3.7Å; A190-L234 HydrophobicContact CB-CB 3.71Å
191S58.8Low63.6Low27 Ų2754.5 Ų54.519%0.18933%0.325CS..G310 helixtrans-1060.1-176.676.60000115.1P187 E188 V189 E193 S194P187-S191 PolarHBondContact O-N 3.12Å; E188-S191 PolarHBondContact O-N 3.28Å; E188-S191 PolarHBondContact O-OG 3.1Å; V189-S191 PolarHBondContact O-N 2.83Å; V189-S191 VanDerWaalsContact O-N 3.11Å; S191-E193 VanDerWaalsContact C-N 3.29Å; S191-E193 PolarHBondContact O-N 3.28Å; S191-S194 PolarHBondContact O-N 2.7Å; S191-S194 PolarHBondContact O-OG 3.44Å
192I54.1Low65.1Low62 Ų6253.3 Ų53.332%0.31832%0.315SS..G310 helixtrans-61.1-31.5-164.3-72.9172.7000114.2V189 S194 R195 Y199V189-I192 HydrophobicContact CB-CD1 4.29Å; V189-I192 HydrophobicContact CG1-CD1 4Å; V189-I192 WeakPolarHBondContact O-CG1 3.5Å; V189-I192 PolarHBondContact O-N 3.32Å; I192-S194 PolarHBondContact O-N 3.37Å; I192-R195 PolarHBondContact O-N 2.87Å; I192-Y199 HydrophobicContact CD1-CD1 3.31Å; I192-Y199 HydrophobicContact CD1-CE1 3.4Å; I192-Y199 HydrophobicContact CD1-CG 4.44Å; I192-Y199 HydrophobicContact CG1-CD1 4.48Å
193E45Very low65.8Low206 Ų20653.7 Ų53.796%0.96332%0.317SS*.G310 helixtrans-51.8-23.5175.1-63-173.3154.500113S191S191-E193 VanDerWaalsContact C-N 3.29Å; S191-E193 PolarHBondContact O-N 3.28Å
194S34.4Very low66.1Low89 Ų8952.9 Ų52.962%0.62231%0.314SS*.G310 helixtrans-99.1-4.5-178.770.40000116.1S191 I192S191-S194 PolarHBondContact O-N 2.7Å; S191-S194 PolarHBondContact O-OG 3.44Å; I192-S194 PolarHBondContact O-N 3.37Å
195R37.8Very low66.4Low190 Ų19052 Ų5272%0.71731%0.311SS*.THydrogen-bonded Turntrans-138.3-20.9-163.4-78.2-173.4175.2156.24.8120.2I192 S197I192-R195 PolarHBondContact O-N 2.87Å; R195-S197 PolarHBondContact O-N 3.44Å
196G29.9Very low66.8Low80 Ų8050.7 Ų50.783%0.82531%0.305SS*.  trans63.1-4.9168.300000118.7
197S35.9Very low67.2Low86 Ų8650.7 Ų50.760%0.60131%0.305SS*.PPolyproline II helixtrans-89.8132.2172.258.70000111.1R195R195-S197 PolarHBondContact O-N 3.44Å
198G47.2Very low67.7Low73 Ų7350.5 Ų50.575%0.75330%0.303SS*.PPolyproline II helixtrans-62140.8173.300000112.4
199Y57.8Low68.5Low52 Ų5249.2 Ų49.220%0.20430%0.297CS..PPolyproline II helixtrans-84.5153.8174.450.8-86.5000111.2I140 R142 V189 I192 C203 E266I140-Y199 HydrophobicContact CD1-CD2 4.33Å; I140-Y199 HydrophobicContact CD1-CE2 4.45Å; I140-Y199 WeakPolarHBondContact CD1-O 3.23Å; I140-Y199 HydrophobicContact CG2-CE2 4.35Å; R142-Y199 VanDerWaalsContact CD-OH 3.22Å; R142-Y199 WeakPolarHBondContact CD-OH 3.32Å; R142-Y199 HydrophobicContact CG-CE2 4.02Å; R142-Y199 PolarHBondContact NE-OH 2.9Å; V189-Y199 HydrophobicContact CG2-CD1 4.47Å; V189-Y199 HydrophobicContact CG2-CD2 4.37Å; V189-Y199 HydrophobicContact CG2-CG 4.24Å; I192-Y199 HydrophobicContact CD1-CD1 3.31Å; I192-Y199 HydrophobicContact CD1-CE1 3.4Å; I192-Y199 HydrophobicContact CD1-CG 4.44Å; I192-Y199 HydrophobicContact CG1-CD1 4.48Å; Y199-C203 HydrophobicContact CD2-CB 4.37Å; Y199-C203 VanDerWaalsContact CD2-SG 3.55Å; Y199-E266 WeakPolarHBondContact CA-OE1 3.37Å
200D67.3Low69.6Low61 Ų6147.9 Ų47.933%0.32629%0.289SS..  trans-91.5-173.1176.5726.3000112.6K202 C203 E266D200-K202 VanDerWaalsContact CG-CG 3.43Å; D200-K202 PolarHBondContact O-N 3.29Å; D200-K202 VanDerWaalsContact O-N 3.1Å; D200-K202 WeakPolarHBondContact OD1-CB 3.43Å; D200-K202 WeakPolarHBondContact OD1-CG 3.49Å; D200-K202 PolarHBondContact OD1-N 2.82Å; D200-K202 VanDerWaalsContact OD2-CG 3.28Å; D200-K202 WeakPolarHBondContact OD2-CG 3.47Å; D200-K202 IonicContact OD2-NZ 3.89Å; D200-C203 PolarHBondContact O-SG 3.42Å; D200-E266 PolarHBondContact N-OE1 3.1Å
201G79.5Confident71.3Confident15 Ų1547.2 Ų47.216%0.15528%0.283CS..THydrogen-bonded Turntrans-64.5-7178.200000115.1H135 C203 D204H135-G201 PolarHBondContact CE1-O 3.22Å; H135-G201 PolarHBondContact NE2-O 2.86Å; G201-C203 PolarHBondContact O-N 3.05Å; G201-D204 WeakPolarHBondContact O-CB 3.3Å; G201-D204 PolarHBondContact O-N 2.83Å; G201-D204 VanDerWaalsContact O-N 3.17Å
202K90.7Very high73.2Confident27 Ų2745.9 Ų45.912%0.11727%0.274CS..Hα-helixtrans-67.2-20.7-177.8-57.3-72.117957.90112.5D200 D204 I205 W206 E266 R269 P270 D271D200-K202 VanDerWaalsContact CG-CG 3.43Å; D200-K202 PolarHBondContact O-N 3.29Å; D200-K202 VanDerWaalsContact O-N 3.1Å; D200-K202 WeakPolarHBondContact OD1-CB 3.43Å; D200-K202 WeakPolarHBondContact OD1-CG 3.49Å; D200-K202 PolarHBondContact OD1-N 2.82Å; D200-K202 VanDerWaalsContact OD2-CG 3.28Å; D200-K202 WeakPolarHBondContact OD2-CG 3.47Å; D200-K202 IonicContact OD2-NZ 3.89Å; K202-D204 VanDerWaalsContact C-N 3.26Å; K202-D204 PolarHBondContact O-N 2.96Å; K202-I205 WeakPolarHBondContact O-CB 3.32Å; K202-I205 PolarHBondContact O-N 2.92Å; K202-I205 VanDerWaalsContact O-N 3.16Å; K202-W206 PolarHBondContact O-N 2.89Å; K202-E266 HydrophobicContact CB-CG 4.33Å; K202-R269 VanDerWaalsContact C-NH1 3.28Å; K202-R269 HydrophobicContact CB-CB 4.34Å; K202-R269 HydrophobicContact CD-CB 4.27Å; K202-R269 VanDerWaalsContact CD-O 3.27Å; K202-R269 WeakPolarHBondContact CD-O 3.31Å; K202-R269 WeakPolarHBondContact CE-O 3.36Å; K202-R269 PolarHBondContact NZ-O 2.96Å; K202-R269 VanDerWaalsContact O-CD 3.3Å; K202-R269 WeakPolarHBondContact O-CD 3.09Å; K202-R269 PolarHBondContact O-NH1 2.89Å; K202-P270 WeakPolarHBondContact CD-O 3.46Å; K202-D271 HydrophobicContact CD-CB 4.26Å
203C89.5Confident75.3Confident9 Ų943 Ų436%0.06126%0.259CS..Hα-helixtrans-63.5-33.2174.665.50000112I140 A186 V189 Y199 D200 G201 I205 W206 G207I140-C203 VanDerWaalsContact CG2-SG 3.55Å; A186-C203 HydrophobicContact CB-CB 4.04Å; V189-C203 HydrophobicContact CG2-CB 3.64Å; Y199-C203 HydrophobicContact CD2-CB 4.37Å; Y199-C203 VanDerWaalsContact CD2-SG 3.55Å; D200-C203 PolarHBondContact O-SG 3.42Å; G201-C203 PolarHBondContact O-N 3.05Å; C203-I205 VanDerWaalsContact C-N 3.32Å; C203-I205 PolarHBondContact O-N 3.27Å; C203-W206 WeakPolarHBondContact O-CB 3.16Å; C203-W206 PolarHBondContact O-N 2.94Å; C203-G207 PolarHBondContact O-N 2.98Å; C203-G207 VanDerWaalsContact O-N 3.08Å
204D92.4Very high77.7Confident2 Ų233.1 Ų33.11%0.01121%0.213CC..Hα-helixtrans-66.7-35.8173.5-60.8-27.7000111.5L131 H135 I140 H141 R142 I144 G201 K202 W206 G207 V208L131-D204 HydrophobicContact CD1-CB 3.94Å; L131-D204 HydrophobicContact CD2-CB 3.71Å; L131-D204 HydrophobicContact CG-CB 4.44Å; H135-D204 IonicContact CD2-OD2 3.3Å; H135-D204 IonicContact CE1-OD2 3.93Å; H135-D204 IonicContact NE2-OD2 2.68Å; H135-D204 PolarHBondContact NE2-OD2 2.8Å; I140-D204 WeakPolarHBondContact CG2-OD2 3.44Å; H141-D204 WeakPolarHBondContact CB-OD1 3.27Å; H141-D204 PolarHBondContact N-OD1 3.21Å; H141-D204 PolarHBondContact N-OD2 3.1Å; R142-D204 PolarHBondContact N-OD1 3.09Å; I144-D204 HydrophobicContact CG1-CB 4.23Å; G201-D204 WeakPolarHBondContact O-CB 3.3Å; G201-D204 PolarHBondContact O-N 2.83Å; G201-D204 VanDerWaalsContact O-N 3.17Å; K202-D204 VanDerWaalsContact C-N 3.26Å; K202-D204 PolarHBondContact O-N 2.96Å; D204-W206 VanDerWaalsContact C-N 3.29Å; D204-W206 PolarHBondContact O-N 2.81Å; D204-G207 CarbonylContact O-C 3.5Å; D204-G207 WeakPolarHBondContact O-CA 3.19Å; D204-G207 PolarHBondContact O-N 2.72Å; D204-G207 VanDerWaalsContact O-N 3.1Å; D204-V208 WeakPolarHBondContact O-CG2 3.11Å; D204-V208 PolarHBondContact O-N 3.08Å
205I96.9Very high80.7Confident0 Ų029 Ų290%018%0.184CC..Hα-helixtrans-67.2-31.4177.7-50.5-59.1000111.7L128 K202 C203 G209 C261 R269 A272 M275L128-I205 HydrophobicContact CD2-CD1 3.58Å; K202-I205 WeakPolarHBondContact O-CB 3.32Å; K202-I205 PolarHBondContact O-N 2.92Å; K202-I205 VanDerWaalsContact O-N 3.16Å; C203-I205 VanDerWaalsContact C-N 3.32Å; C203-I205 PolarHBondContact O-N 3.27Å; I205-G209 PolarHBondContact O-N 3.16Å; I205-C261 VanDerWaalsContact O-CB 3.27Å; I205-C261 WeakPolarHBondContact O-CB 3.3Å; I205-C261 PolarHBondContact O-SG 3.09Å; I205-R269 HydrophobicContact CG2-CG 4.32Å; I205-A272 HydrophobicContact CD1-CB 3.88Å; I205-M275 HydrophobicContact CG2-CG 3.83Å
206W95.5Very high83.5Confident0 Ų020 Ų200%015%0.15CC..Hα-helixtrans-68-45.2168.3178.2-78.5000111.1M185 A186 P187 K202 C203 D204 V208 G209 I210 Y239 P241 L262M185-W206 PolarHBondContact O-NE1 3.47Å; M185-W206 VanDerWaalsContact O-NE1 3.12Å; A186-W206 VanDerWaalsContact CA-CD1 3.46Å; A186-W206 HydrophobicContact CB-CB 3.73Å; A186-W206 HydrophobicContact CB-CD2 4.16Å; A186-W206 HydrophobicContact CB-CG 3.62Å; P187-W206 HydrophobicContact CG-CE3 4.35Å; P187-W206 HydrophobicContact CG-CH2 3.98Å; P187-W206 HydrophobicContact CG-CZ2 4.34Å; P187-W206 HydrophobicContact CG-CZ3 3.96Å; K202-W206 PolarHBondContact O-N 2.89Å; C203-W206 WeakPolarHBondContact O-CB 3.16Å; C203-W206 PolarHBondContact O-N 2.94Å; D204-W206 VanDerWaalsContact C-N 3.29Å; D204-W206 PolarHBondContact O-N 2.81Å; W206-V208 VanDerWaalsContact C-N 3.31Å; W206-V208 PolarHBondContact O-N 3.3Å; W206-G209 WeakPolarHBondContact O-CA 3.42Å; W206-G209 PolarHBondContact O-N 3Å; W206-I210 PolarHBondContact O-N 2.71Å; W206-Y239 AromaticContact CH2-CE1 3.78Å; W206-Y239 HydrophobicContact CH2-CE1 3.78Å; W206-Y239 AromaticContact CZ2-CE1 3.9Å; W206-Y239 HydrophobicContact CZ2-CE1 3.9Å; W206-P241 HydrophobicContact CH2-CB 3.96Å; W206-P241 HydrophobicContact CH2-CG 4.18Å; W206-P241 HydrophobicContact CZ3-CB 4.35Å; W206-P241 HydrophobicContact CZ3-CG 4.36Å; W206-L262 HydrophobicContact CD2-CD2 3.63Å; W206-L262 HydrophobicContact CE3-CB 4.25Å; W206-L262 HydrophobicContact CE3-CD2 3.89Å; W206-L262 HydrophobicContact CG-CD2 3.98Å; W206-L262 HydrophobicContact CH2-CB 4.31Å; W206-L262 HydrophobicContact CH2-CD2 4.38Å; W206-L262 HydrophobicContact CZ2-CD2 4.18Å; W206-L262 VanDerWaalsContact CZ3-C 3.5Å; W206-L262 HydrophobicContact CZ3-CB 3.99Å; W206-L262 HydrophobicContact CZ3-CD2 4.26Å; W206-L262 WeakPolarHBondContact CZ3-O 3.43Å; W206-L262 WeakPolarHBondContact O-CD2 3.44Å
207G94.8Very high86.6Confident2 Ų217.8 Ų17.82%0.02112%0.118CC..Hα-helixtrans-54.9-43.1174.500000112.9C203 D204 G209 I210 T211C203-G207 PolarHBondContact O-N 2.98Å; C203-G207 VanDerWaalsContact O-N 3.08Å; D204-G207 CarbonylContact O-C 3.5Å; D204-G207 WeakPolarHBondContact O-CA 3.19Å; D204-G207 PolarHBondContact O-N 2.72Å; D204-G207 VanDerWaalsContact O-N 3.1Å; G207-G209 VanDerWaalsContact C-N 3.34Å; G207-G209 PolarHBondContact O-N 2.97Å; G207-I210 PolarHBondContact O-N 3.26Å; G207-T211 VanDerWaalsContact O-CB 3.31Å; G207-T211 WeakPolarHBondContact O-CB 3.21Å; G207-T211 PolarHBondContact O-N 3.09Å; G207-T211 PolarHBondContact O-OG1 2.86Å
208V97.8Very high89.2Confident3 Ų316.2 Ų16.22%0.01810%0.103CC..Hα-helixtrans-58-43.8171.4172.50000111.5T127 L128 L131 I144 D204 W206 I210 T211 A212 F257T127-V208 HydrophobicContact CG2-CG2 4.04Å; L128-V208 HydrophobicContact CD1-CG1 4.46Å; L128-V208 HydrophobicContact CD2-CG2 4.23Å; L128-V208 HydrophobicContact CG-CG1 4.36Å; L131-V208 HydrophobicContact CD1-CG2 3.57Å; I144-V208 HydrophobicContact CG2-CG2 3.94Å; D204-V208 WeakPolarHBondContact O-CG2 3.11Å; D204-V208 PolarHBondContact O-N 3.08Å; W206-V208 VanDerWaalsContact C-N 3.31Å; W206-V208 PolarHBondContact O-N 3.3Å; V208-I210 PolarHBondContact O-N 3.18Å; V208-T211 PolarHBondContact O-N 3.47Å; V208-A212 WeakPolarHBondContact O-CB 3.41Å; V208-A212 PolarHBondContact O-N 3.27Å; V208-F257 HydrophobicContact CG1-CE1 4.21Å; V208-F257 HydrophobicContact CG1-CZ 4.03Å
209G98Very high91.4Very high0 Ų016.6 Ų16.60%09%0.085CC..Hα-helixtrans-63.3-38.3177.600000114I205 W206 G207 I213 C261I205-G209 PolarHBondContact O-N 3.16Å; W206-G209 WeakPolarHBondContact O-CA 3.42Å; W206-G209 PolarHBondContact O-N 3Å; G207-G209 VanDerWaalsContact C-N 3.34Å; G207-G209 PolarHBondContact O-N 2.97Å; G209-I213 PolarHBondContact O-N 3.2Å; G209-C261 VanDerWaalsContact CA-CB 3.47Å
210I97.6Very high93Very high1 Ų114.4 Ų14.41%0.0058%0.077CC..Hα-helixtrans-71.7-41.6173.9-59.6-60.2000110.9W184 W206 G207 V208 A212 I213 E214 P220 P221 P242 L262W184-I210 HydrophobicContact CB-CG2 4.34Å; W184-I210 VanDerWaalsContact CD1-CG2 3.46Å; W184-I210 HydrophobicContact CD2-CG2 4.42Å; W184-I210 HydrophobicContact CG-CB 4.35Å; W184-I210 HydrophobicContact CG-CG2 3.81Å; W206-I210 PolarHBondContact O-N 2.71Å; G207-I210 PolarHBondContact O-N 3.26Å; V208-I210 PolarHBondContact O-N 3.18Å; I210-A212 PolarHBondContact O-N 2.75Å; I210-I213 WeakPolarHBondContact O-CA 3.46Å; I210-I213 WeakPolarHBondContact O-CB 3.33Å; I210-I213 PolarHBondContact O-N 2.96Å; I210-E214 PolarHBondContact O-N 2.93Å; I210-P220 HydrophobicContact CG2-CB 3.67Å; I210-P221 HydrophobicContact CD1-CG 4.31Å; I210-P242 HydrophobicContact CD1-CG 3.88Å; I210-L262 HydrophobicContact CD1-CD1 4.07Å; I210-L262 HydrophobicContact CD1-CD2 3.77Å; I210-L262 HydrophobicContact CG1-CD2 3.99Å
211T97.3Very high94.2Very high6 Ų612.6 Ų12.64%0.0377%0.069CC..Hα-helixtrans-61.5-33.4177.1-55.10000111.8I144 K145 G207 V208 E214 Y215I144-T211 PolarHBondContact O-OG1 3.01Å; K145-T211 WeakPolarHBondContact CA-OG1 3.07Å; G207-T211 VanDerWaalsContact O-CB 3.31Å; G207-T211 WeakPolarHBondContact O-CB 3.21Å; G207-T211 PolarHBondContact O-N 3.09Å; G207-T211 PolarHBondContact O-OG1 2.86Å; V208-T211 PolarHBondContact O-N 3.47Å; T211-E214 WeakPolarHBondContact O-CB 3.27Å; T211-E214 PolarHBondContact O-N 3.14Å; T211-Y215 HydrophobicContact CG2-CD2 4.47Å; T211-Y215 HydrophobicContact CG2-CE1 3.82Å; T211-Y215 HydrophobicContact CG2-CE2 3.76Å; T211-Y215 WeakPolarHBondContact CG2-OH 3.39Å; T211-Y215 WeakPolarHBondContact O-CD2 3.36Å; T211-Y215 VanDerWaalsContact O-CG 3.29Å; T211-Y215 PolarHBondContact O-N 3.12Å
212A98.2Very high94.6Very high0 Ų013.5 Ų13.50%07%0.069CC..Hα-helixtrans-70.2-32.8174.400000112.7I120 V208 I210 A216 F254 F257 I258I120-A212 HydrophobicContact CG2-CB 4.09Å; V208-A212 WeakPolarHBondContact O-CB 3.41Å; V208-A212 PolarHBondContact O-N 3.27Å; I210-A212 PolarHBondContact O-N 2.75Å; A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 2.79Å; A212-F254 HydrophobicContact CB-CE2 4.02Å; A212-F254 HydrophobicContact CB-CZ 4.49Å; A212-F257 HydrophobicContact CB-CE1 4.39Å; A212-I258 HydrophobicContact CB-CG1 4.4Å
213I97.5Very high94.3Very high0 Ų017.2 Ų17.20%09%0.086CC..Hα-helixtrans-70.4-42.2169.5-63.1170.2000110.4G209 I210 Y215 A216 E217 P221 P242 L244 I258 L262G209-I213 PolarHBondContact O-N 3.2Å; I210-I213 WeakPolarHBondContact O-CA 3.46Å; I210-I213 WeakPolarHBondContact O-CB 3.33Å; I210-I213 PolarHBondContact O-N 2.96Å; I213-Y215 VanDerWaalsContact C-N 3.3Å; I213-Y215 PolarHBondContact O-N 3.36Å; I213-A216 CarbonylContact O-C 3.5Å; I213-A216 PolarHBondContact O-N 2.93Å; I213-E217 HydrophobicContact CG2-CB 4.45Å; I213-E217 HydrophobicContact CG2-CG 4.16Å; I213-E217 PolarHBondContact O-N 3.35Å; I213-P221 HydrophobicContact CD1-CG 4.02Å; I213-P221 HydrophobicContact CG2-CG 4.01Å; I213-P242 HydrophobicContact CD1-CB 4.41Å; I213-P242 HydrophobicContact CD1-CG 4.26Å; I213-L244 HydrophobicContact CB-CD2 4.48Å; I213-L244 HydrophobicContact CG1-CD2 4.15Å; I213-L244 HydrophobicContact CG2-CD2 4.33Å; I213-I258 HydrophobicContact CD1-CG2 4.03Å; I213-I258 HydrophobicContact CG1-CD1 3.89Å; I213-I258 HydrophobicContact CG1-CG2 4.27Å; I213-L262 HydrophobicContact CD1-CD1 3.83Å
214E96.8Very high94Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-53.4-44175.5177.3-168.1177.700111.8Q105 Y108 G146 W184 I210 T211 A216 L218Q105-E214 PolarHBondContact NE2-OE1 2.82Å; Q105-E214 VanDerWaalsContact NE2-OE1 3.12Å; Y108-E214 HydrophobicContact CE1-CG 3.72Å; Y108-E214 WeakPolarHBondContact OH-CG 3.37Å; Y108-E214 PolarHBondContact OH-OE1 3.04Å; G146-E214 VanDerWaalsContact CA-OE1 3.28Å; G146-E214 WeakPolarHBondContact CA-OE1 3.42Å; G146-E214 PolarHBondContact N-OE1 3.15Å; G146-E214 VanDerWaalsContact N-OE1 3.12Å; G146-E214 PolarHBondContact N-OE2 2.91Å; W184-E214 HydrophobicContact CZ2-CG 4.27Å; W184-E214 WeakPolarHBondContact CZ2-OE2 3.2Å; W184-E214 PolarHBondContact NE1-OE2 2.93Å; I210-E214 PolarHBondContact O-N 2.93Å; T211-E214 WeakPolarHBondContact O-CB 3.27Å; T211-E214 PolarHBondContact O-N 3.14Å; E214-A216 VanDerWaalsContact C-N 3.35Å; E214-A216 PolarHBondContact O-N 3.44Å; E214-L218 CarbonylContact O-C 3.51Å; E214-L218 WeakPolarHBondContact O-CA 3.35Å; E214-L218 PolarHBondContact O-N 2.87Å
215Y97Very high93.4Very high2 Ų224.2 Ų24.21%0.00812%0.122CC..Hα-helixtrans-70-27.3175.8-61.6-20.3000114.4M104 Y108 L115 I120 V123 T211 I213M104-Y215 HydrophobicContact CB-CE1 3.51Å; M104-Y215 WeakPolarHBondContact CB-OH 3.39Å; M104-Y215 HydrophobicContact CG-CE1 4.29Å; M104-Y215 WeakPolarHBondContact CG-OH 3.32Å; Y108-Y215 AromaticContact CD1-CD1 4Å; Y108-Y215 HydrophobicContact CD1-CD1 4Å; Y108-Y215 HydrophobicContact CD1-CE1 4.42Å; Y108-Y215 HydrophobicContact CE1-CD1 4.18Å; Y108-Y215 HydrophobicContact CE1-CE1 4.45Å; L115-Y215 HydrophobicContact CD1-CD1 4.25Å; L115-Y215 HydrophobicContact CD1-CD2 4.35Å; L115-Y215 HydrophobicContact CD1-CG 3.94Å; L115-Y215 PolarHBondContact N-O 3.14Å; I120-Y215 HydrophobicContact CG1-CD2 4.37Å; I120-Y215 HydrophobicContact CG2-CD2 4.37Å; V123-Y215 HydrophobicContact CB-CE2 4.36Å; V123-Y215 HydrophobicContact CG1-CE2 3.69Å; T211-Y215 HydrophobicContact CG2-CD2 4.47Å; T211-Y215 HydrophobicContact CG2-CE1 3.82Å; T211-Y215 HydrophobicContact CG2-CE2 3.76Å; T211-Y215 WeakPolarHBondContact CG2-OH 3.39Å; T211-Y215 WeakPolarHBondContact O-CD2 3.36Å; T211-Y215 VanDerWaalsContact O-CG 3.29Å; T211-Y215 PolarHBondContact O-N 3.12Å; I213-Y215 VanDerWaalsContact C-N 3.3Å; I213-Y215 PolarHBondContact O-N 3.36Å
216A96.5Very high92.4Very high2 Ų228.5 Ų28.52%0.01715%0.145CC..Hα-helixtrans-85.2-29.4-179.900000113.2P114 I120 A212 I213 E214 L244 W250 F254P114-A216 WeakPolarHBondContact CB-O 3.22Å; I120-A216 HydrophobicContact CD1-CB 4.14Å; A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 2.79Å; I213-A216 CarbonylContact O-C 3.5Å; I213-A216 PolarHBondContact O-N 2.93Å; E214-A216 VanDerWaalsContact C-N 3.35Å; E214-A216 PolarHBondContact O-N 3.44Å; A216-L244 HydrophobicContact CB-CD2 3.56Å; A216-W250 HydrophobicContact CB-CH2 3.86Å; A216-W250 HydrophobicContact CB-CZ2 3.48Å; A216-W250 VanDerWaalsContact CB-CZ2 3.48Å; A216-W250 WeakPolarHBondContact O-CZ2 3.44Å; A216-F254 HydrophobicContact CB-CE1 4.04Å; A216-F254 HydrophobicContact CB-CZ 4.09Å
217E94.1Very high91.4Very high33 Ų3330.8 Ų30.815%0.15416%0.16CC..Hα-helixtrans-122.91.5-171.3-56.2-167.9164.500113.6I213 Q219 L244 Q245I213-E217 HydrophobicContact CG2-CB 4.45Å; I213-E217 HydrophobicContact CG2-CG 4.16Å; I213-E217 PolarHBondContact O-N 3.35Å; E217-Q219 PolarHBondContact O-N 2.81Å; E217-L244 HydrophobicContact CG-CD2 4.21Å; E217-L244 WeakPolarHBondContact OE1-CA 3.36Å; E217-Q245 PolarHBondContact OE1-N 3.32Å; E217-Q245 PolarHBondContact OE2-NE2 2.87Å
218L91.8Very high90.3Very high52 Ų5238.1 Ų38.127%0.27219%0.187SC..SBendtrans64.67.3-178.2-53.8175.5000115.5Y108 P114 E214Y108-L218 HydrophobicContact CD2-CB 4.19Å; Y108-L218 HydrophobicContact CD2-CD2 3.53Å; Y108-L218 HydrophobicContact CD2-CG 4.47Å; Y108-L218 HydrophobicContact CE2-CB 4.26Å; Y108-L218 HydrophobicContact CE2-CD2 4.38Å; Y108-L218 VanDerWaalsContact CE2-O 3.23Å; Y108-L218 WeakPolarHBondContact CE2-O 3.41Å; Y108-L218 HydrophobicContact CG-CD2 3.9Å; P114-L218 HydrophobicContact CG-CG 4.37Å; E214-L218 CarbonylContact O-C 3.51Å; E214-L218 WeakPolarHBondContact O-CA 3.35Å; E214-L218 PolarHBondContact O-N 2.87Å
219Q91.6Very high89.5Confident82 Ų8243.4 Ų43.438%0.38321%0.21SC..SBendtrans-159152178.762.1-169.3-13.400109.8E217 F223E217-Q219 PolarHBondContact O-N 2.81Å; Q219-F223 HydrophobicContact CB-CB 4.14Å; Q219-F223 HydrophobicContact CB-CD1 3.89Å; Q219-F223 HydrophobicContact CB-CG 4.15Å
220P93.1Very high88.8Confident5 Ų543.4 Ų43.43%0.03221%0.21CC..  trans-71.9163.7171.334.3-38.5000111.1Y183 W184 I210 F223Y183-P220 HydrophobicContact CD2-CG 4.26Å; Y183-P220 HydrophobicContact CG-CG 4.1Å; W184-P220 HydrophobicContact CD2-CB 4.26Å; W184-P220 HydrophobicContact CD2-CG 4.38Å; W184-P220 HydrophobicContact CE3-CG 4.29Å; W184-P220 HydrophobicContact CH2-CB 4.38Å; W184-P220 HydrophobicContact CH2-CG 3.6Å; W184-P220 HydrophobicContact CZ2-CB 4.01Å; W184-P220 HydrophobicContact CZ2-CG 3.67Å; W184-P220 HydrophobicContact CZ3-CG 3.91Å; I210-P220 HydrophobicContact CG2-CB 3.67Å; P220-F223 HydrophobicContact CG-CB 4.07Å; P220-F223 HydrophobicContact CG-CD2 3.87Å; P220-F223 HydrophobicContact CG-CG 4.25Å; P220-F223 WeakPolarHBondContact O-CB 3.33Å; P220-F223 PolarHBondContact O-N 2.88Å
221P91.8Very high87.8Confident23 Ų2345.5 Ų45.515%0.14922%0.221CC..THydrogen-bonded Turntrans-58.2143.4171.1-24.937000112.3I210 I213 F223 P242I210-P221 HydrophobicContact CD1-CG 4.31Å; I213-P221 HydrophobicContact CD1-CG 4.02Å; I213-P221 HydrophobicContact CG2-CG 4.01Å; P221-F223 VanDerWaalsContact C-N 3.27Å; P221-F223 PolarHBondContact O-N 2.94Å; P221-P242 HydrophobicContact CB-CB 3.83Å; P221-P242 HydrophobicContact CB-CG 4Å; P221-P242 HydrophobicContact CG-CB 3.68Å; P221-P242 HydrophobicContact CG-CG 3.66Å
222M87.4Confident87Confident34 Ų3452.1 Ų52.117%0.16725%0.251CS..THydrogen-bonded Turntrans66.814.7179.5-48.9174.2-61.500115.6Y183 D224 L225 I233 L234 Y239Y183-M222 HydrophobicContact CD1-CB 4.33Å; Y183-M222 WeakPolarHBondContact CD1-O 3.41Å; Y183-M222 WeakPolarHBondContact CE1-O 3.49Å; M222-D224 WeakPolarHBondContact CA-OD1 3.44Å; M222-D224 PolarHBondContact O-N 3.39Å; M222-D224 VanDerWaalsContact O-N 3.13Å; M222-L225 HydrophobicContact CB-CD1 3.99Å; M222-L225 HydrophobicContact CB-CG 4.2Å; M222-L225 HydrophobicContact CG-CD1 4.27Å; M222-L225 WeakPolarHBondContact O-CB 3.45Å; M222-L225 PolarHBondContact O-N 2.83Å; M222-I233 HydrophobicContact SD-CB 4.28Å; M222-I233 HydrophobicContact SD-CG2 3.67Å; M222-L234 HydrophobicContact CE-CD1 4.34Å; M222-L234 HydrophobicContact CE-CD2 4.3Å; M222-L234 HydrophobicContact CE-CG 4.05Å; M222-Y239 HydrophobicContact CE-CE2 4.39Å; M222-Y239 HydrophobicContact SD-CE2 4.33Å
223F85.8Confident86.4Confident105 Ų10554.8 Ų54.846%0.46127%0.265SS..THydrogen-bonded Turntrans-62.3-15.9179.2-169-115.6000114.5Y183 Q219 P220 P221Y183-F223 AromaticContact CD2-CD2 3.9Å; Y183-F223 HydrophobicContact CD2-CD2 3.9Å; Y183-F223 AromaticContact CE2-CD2 3.84Å; Y183-F223 HydrophobicContact CE2-CD2 3.84Å; Y183-F223 HydrophobicContact CE2-CE2 4.28Å; Y183-F223 HydrophobicContact CG-CD2 4.49Å; Q219-F223 HydrophobicContact CB-CB 4.14Å; Q219-F223 HydrophobicContact CB-CD1 3.89Å; Q219-F223 HydrophobicContact CB-CG 4.15Å; P220-F223 HydrophobicContact CG-CB 4.07Å; P220-F223 HydrophobicContact CG-CD2 3.87Å; P220-F223 HydrophobicContact CG-CG 4.25Å; P220-F223 WeakPolarHBondContact O-CB 3.33Å; P220-F223 PolarHBondContact O-N 2.88Å; P221-F223 VanDerWaalsContact C-N 3.27Å; P221-F223 PolarHBondContact O-N 2.94Å
224D81.8Confident85.8Confident118 Ų11854.9 Ų54.963%0.63127%0.265SS*.THydrogen-bonded Turntrans-78.5-17172.564.1-59.5000113.9M222M222-D224 WeakPolarHBondContact CA-OD1 3.44Å; M222-D224 PolarHBondContact O-N 3.39Å; M222-D224 VanDerWaalsContact O-N 3.13Å
225L81.1Confident84.9Confident40 Ų4056.8 Ų56.821%0.20929%0.285CS..SBendtrans-90.9153.8-178.8-54.6-171.2000111.9Y183 M222 I233Y183-L225 PolarHBondContact OH-O 3.12Å; M222-L225 HydrophobicContact CB-CD1 3.99Å; M222-L225 HydrophobicContact CB-CG 4.2Å; M222-L225 HydrophobicContact CG-CD1 4.27Å; M222-L225 WeakPolarHBondContact O-CB 3.45Å; M222-L225 PolarHBondContact O-N 2.83Å; L225-I233 HydrophobicContact CD1-CD1 3.45Å; L225-I233 VanDerWaalsContact CD1-CD1 3.45Å
226D75Confident84.2Confident91 Ų9159.1 Ų59.149%0.48730%0.302SS..  trans-61141.5169.9179.9-90000111.5R228 K229 A230D226-R228 VanDerWaalsContact C-N 3.31Å; D226-R228 PolarHBondContact O-N 2.88Å; D226-R228 WeakPolarHBondContact OD1-CA 2.86Å; D226-R228 VanDerWaalsContact OD1-CB 3.24Å; D226-R228 WeakPolarHBondContact OD1-CB 3.19Å; D226-R228 PolarHBondContact OD1-N 3.15Å; D226-K229 HydrophobicContact CB-CB 4.24Å; D226-K229 WeakPolarHBondContact O-CA 3.36Å; D226-K229 WeakPolarHBondContact O-CB 3.43Å; D226-K229 PolarHBondContact O-N 3.4Å; D226-A230 PolarHBondContact O-N 3.33Å
227P73.7Confident83.4Confident47 Ų4770.2 Ų70.231%0.30534%0.343SS..Hα-helixtrans-47.8-42176.1-33.638.3000115.7L178 P182 Y183 L231L178-P227 HydrophobicContact CD2-CB 3.5Å; L178-P227 VanDerWaalsContact CD2-CB 3.5Å; P182-P227 HydrophobicContact CG-CB 3.71Å; P182-P227 WeakPolarHBondContact CG-O 3.29Å; Y183-P227 WeakPolarHBondContact OH-CD 3.32Å; P227-L231 WeakPolarHBondContact O-CB 3.25Å; P227-L231 PolarHBondContact O-N 2.81Å
228R73.3Confident82.8Confident157 Ų15775.3 Ų75.359%0.59237%0.371SS*.Hα-helixtrans-64.6-42.2176.2-61.9177175.1173.70.6110.8L178 D226 L231 Q232 S1011L178-R228 HydrophobicContact CD1-CG 4.24Å; D226-R228 VanDerWaalsContact C-N 3.31Å; D226-R228 PolarHBondContact O-N 2.88Å; D226-R228 WeakPolarHBondContact OD1-CA 2.86Å; D226-R228 VanDerWaalsContact OD1-CB 3.24Å; D226-R228 WeakPolarHBondContact OD1-CB 3.19Å; D226-R228 PolarHBondContact OD1-N 3.15Å; R228-L231 PolarHBondContact O-N 2.82Å; R228-Q232 WeakPolarHBondContact O-CB 3.34Å; R228-Q232 PolarHBondContact O-N 3.03Å; R228-S1011 PolarHBondContact NH1-O 3.49Å
229K80.7Confident82.6Confident113 Ų11374 Ų7449%0.49136%0.363SS..Hα-helixtrans-68.2-39.4179.5-170171.6-176.3173.20112D226 Q232 I233D226-K229 HydrophobicContact CB-CB 4.24Å; D226-K229 WeakPolarHBondContact O-CA 3.36Å; D226-K229 WeakPolarHBondContact O-CB 3.43Å; D226-K229 PolarHBondContact O-N 3.4Å; K229-Q232 PolarHBondContact O-N 2.89Å; K229-I233 HydrophobicContact CG-CD1 4.22Å; K229-I233 WeakPolarHBondContact O-CB 3.28Å; K229-I233 VanDerWaalsContact O-CG1 3.29Å; K229-I233 WeakPolarHBondContact O-CG1 3.4Å; K229-I233 PolarHBondContact O-N 2.91Å
230A81.7Confident82.6Confident0 Ų078.3 Ų78.30%038%0.381CS..Hα-helixtrans-61.5-44.5172.500000111.6P182 Y183 D226 I233 L234P182-A230 HydrophobicContact CG-CB 4.36Å; Y183-A230 HydrophobicContact CD1-CB 3.88Å; Y183-A230 HydrophobicContact CE1-CB 3.75Å; D226-A230 PolarHBondContact O-N 3.33Å; A230-I233 PolarHBondContact O-N 3.26Å; A230-L234 WeakPolarHBondContact O-CG 3.22Å; A230-L234 PolarHBondContact O-N 3.14Å
231L78.5Confident82.6Confident45 Ų4580.6 Ų80.624%0.23640%0.395CS..Hα-helixtrans-63.3-44176.9-168.570000112.2L178 P182 M185 A190 P227 R228 I233 L234 G235L178-L231 HydrophobicContact CD1-CD2 4.22Å; L178-L231 HydrophobicContact CG-CD2 4.48Å; P182-L231 HydrophobicContact CB-CB 4.49Å; M185-L231 HydrophobicContact CE-CD1 4.1Å; M185-L231 HydrophobicContact SD-CD1 4.01Å; A190-L231 HydrophobicContact CB-CD1 3.7Å; P227-L231 WeakPolarHBondContact O-CB 3.25Å; P227-L231 PolarHBondContact O-N 2.81Å; R228-L231 PolarHBondContact O-N 2.82Å; L231-I233 VanDerWaalsContact C-N 3.31Å; L231-I233 PolarHBondContact O-N 3.35Å; L231-L234 PolarHBondContact O-N 2.62Å; L231-G235 PolarHBondContact O-N 2.87Å
232Q79.5Confident82.7Confident145 Ų14581 Ų8168%0.67840%0.398SS*.Hα-helixtrans-59.4-40.5174.5-171.6-169.849.700112R228 K229 S236R228-Q232 WeakPolarHBondContact O-CB 3.34Å; R228-Q232 PolarHBondContact O-N 3.03Å; K229-Q232 PolarHBondContact O-N 2.89Å; Q232-S236 PolarHBondContact O-N 3.43Å
233I85.7Confident83Confident56 Ų5681.7 Ų81.729%0.28741%0.406SS..Hα-helixtrans-67.3-44.5176.1-72166.9000110.8M222 L225 K229 A230 L231 G235 S236 Y239M222-I233 HydrophobicContact SD-CB 4.28Å; M222-I233 HydrophobicContact SD-CG2 3.67Å; L225-I233 HydrophobicContact CD1-CD1 3.45Å; L225-I233 VanDerWaalsContact CD1-CD1 3.45Å; K229-I233 HydrophobicContact CG-CD1 4.22Å; K229-I233 WeakPolarHBondContact O-CB 3.28Å; K229-I233 VanDerWaalsContact O-CG1 3.29Å; K229-I233 WeakPolarHBondContact O-CG1 3.4Å; K229-I233 PolarHBondContact O-N 2.91Å; A230-I233 PolarHBondContact O-N 3.26Å; L231-I233 VanDerWaalsContact C-N 3.31Å; L231-I233 PolarHBondContact O-N 3.35Å; I233-G235 PolarHBondContact O-N 3.31Å; I233-S236 WeakPolarHBondContact O-CB 3.48Å; I233-S236 PolarHBondContact O-N 2.96Å; I233-S236 VanDerWaalsContact O-N 3.09Å; I233-Y239 HydrophobicContact CG2-CD2 3.73Å; I233-Y239 HydrophobicContact CG2-CE2 4.08Å; I233-Y239 WeakPolarHBondContact O-CB 3.37Å
234L84.5Confident83.3Confident2 Ų276.7 Ų76.71%0.0138%0.384CS..Hα-helixtrans-59.5-44.3177.3-77.5160000112.8P182 M185 A190 M222 A230 L231 S236 Y239P182-L234 WeakPolarHBondContact O-CD1 3.39Å; M185-L234 HydrophobicContact CB-CD1 4.4Å; A190-L234 HydrophobicContact CB-CB 3.71Å; M222-L234 HydrophobicContact CE-CD1 4.34Å; M222-L234 HydrophobicContact CE-CD2 4.3Å; M222-L234 HydrophobicContact CE-CG 4.05Å; A230-L234 WeakPolarHBondContact O-CG 3.22Å; A230-L234 PolarHBondContact O-N 3.14Å; L231-L234 PolarHBondContact O-N 2.62Å; L234-S236 PolarHBondContact O-N 2.85Å; L234-Y239 HydrophobicContact CD2-CE1 3.78Å; L234-Y239 HydrophobicContact CD2-CE2 4.11Å; L234-Y239 WeakPolarHBondContact CD2-OH 3.36Å
235G78.8Confident83.7Confident41 Ų4177.9 Ų77.942%0.42339%0.386SS..Hα-helixtrans-66.8-14.317600000114.2L231 I233 R237L231-G235 PolarHBondContact O-N 2.87Å; I233-G235 PolarHBondContact O-N 3.31Å; G235-R237 PolarHBondContact O-N 2.86Å
236S82Confident83.9Confident50 Ų5079.8 Ų79.835%0.3540%0.397SS..  trans-64.7132.9-176.7-175.60000112.8Q232 I233 L234 N238 Y239 K264Q232-S236 PolarHBondContact O-N 3.43Å; I233-S236 WeakPolarHBondContact O-CB 3.48Å; I233-S236 PolarHBondContact O-N 2.96Å; I233-S236 VanDerWaalsContact O-N 3.09Å; L234-S236 PolarHBondContact O-N 2.85Å; S236-N238 PolarHBondContact O-N 3.36Å; S236-N238 VanDerWaalsContact O-N 3.14Å; S236-N238 PolarHBondContact OG-N 3.02Å; S236-Y239 WeakPolarHBondContact O-CB 3.44Å; S236-Y239 PolarHBondContact O-N 2.8Å; S236-K264 PolarHBondContact O-NZ 2.93Å
237R80.3Confident84.5Confident236 Ų23682.4 Ų82.489%0.89140%0.399SS*.THydrogen-bonded Turntrans-52.5-38171.7-171.4175.4-177172.31111.5G235 K264G235-R237 PolarHBondContact O-N 2.86Å; R237-K264 PolarHBondContact O-NZ 2.72Å
238N81.4Confident85.2Confident139 Ų13988.8 Ų88.874%0.74343%0.425SS*.THydrogen-bonded Turntrans-86.1-2.3-178-66.5-11.2000114.2S236 K240S236-N238 PolarHBondContact O-N 3.36Å; S236-N238 VanDerWaalsContact O-N 3.14Å; S236-N238 PolarHBondContact OG-N 3.02Å; N238-K240 PolarHBondContact O-N 3.22Å
239Y87.3Confident86Confident25 Ų2586.5 Ų86.510%0.09842%0.419CS..PPolyproline II helixtrans-53.7126.2176.4177.2-111.4000111.6P187 W206 M222 I233 L234 S236 P242 K264P187-Y239 HydrophobicContact CB-CD1 4.19Å; P187-Y239 HydrophobicContact CB-CE1 4.31Å; W206-Y239 AromaticContact CH2-CE1 3.78Å; W206-Y239 HydrophobicContact CH2-CE1 3.78Å; W206-Y239 AromaticContact CZ2-CE1 3.9Å; W206-Y239 HydrophobicContact CZ2-CE1 3.9Å; M222-Y239 HydrophobicContact CE-CE2 4.39Å; M222-Y239 HydrophobicContact SD-CE2 4.33Å; I233-Y239 HydrophobicContact CG2-CD2 3.73Å; I233-Y239 HydrophobicContact CG2-CE2 4.08Å; I233-Y239 WeakPolarHBondContact O-CB 3.37Å; L234-Y239 HydrophobicContact CD2-CE1 3.78Å; L234-Y239 HydrophobicContact CD2-CE2 4.11Å; L234-Y239 WeakPolarHBondContact CD2-OH 3.36Å; S236-Y239 WeakPolarHBondContact O-CB 3.44Å; S236-Y239 PolarHBondContact O-N 2.8Å; Y239-P242 WeakPolarHBondContact OH-CD 3.37Å; Y239-K264 HydrophobicContact CD1-CD 4.39Å; Y239-K264 WeakPolarHBondContact O-CD 3.34Å; Y239-K264 PolarHBondContact O-NZ 3.21Å
240K90.7Very high86.7Confident173 Ų17382.2 Ų82.275%0.75240%0.4SS*.PPolyproline II helixtrans-100.3133.1172.9-63.4177.6-177.2174.60107.9N238N238-K240 PolarHBondContact O-N 3.22Å
241P92.9Very high87.4Confident53 Ų5383.8 Ų83.834%0.34441%0.411SS..PPolyproline II helixtrans-55.4142.9169.9-25.235.1000111.6W206 L262 K264W206-P241 HydrophobicContact CH2-CB 3.96Å; W206-P241 HydrophobicContact CH2-CG 4.18Å; W206-P241 HydrophobicContact CZ3-CB 4.35Å; W206-P241 HydrophobicContact CZ3-CG 4.36Å; P241-L262 HydrophobicContact CB-CB 4.04Å; P241-L262 WeakPolarHBondContact CB-O 3.44Å; P241-L262 WeakPolarHBondContact CG-O 3.46Å; P241-K264 HydrophobicContact CG-CB 3.99Å
242P94Very high88.2Confident31 Ų3186.9 Ų86.920%0.20143%0.434CS..PPolyproline II helixtrans-72.3163.6179.828.3-31.7000111.6I210 I213 P221 Y239 L262I210-P242 HydrophobicContact CD1-CG 3.88Å; I213-P242 HydrophobicContact CD1-CB 4.41Å; I213-P242 HydrophobicContact CD1-CG 4.26Å; P221-P242 HydrophobicContact CB-CB 3.83Å; P221-P242 HydrophobicContact CB-CG 4Å; P221-P242 HydrophobicContact CG-CB 3.68Å; P221-P242 HydrophobicContact CG-CG 3.66Å; Y239-P242 WeakPolarHBondContact OH-CD 3.37Å; P242-L262 HydrophobicContact CG-CD1 3.87Å
243S93.5Very high89Confident49 Ų4984 Ų8434%0.34342%0.422SS..  trans-138.4158.4168.770.20000108.5Q245 R247S243-Q245 PolarHBondContact O-N 2.95Å; S243-R247 PolarHBondContact OG-NH1 2.89Å; S243-R247 PolarHBondContact OG-NH2 2.85Å
244L93.9Very high89.5Confident0 Ų081.3 Ų81.30%041%0.409CS..  trans-48.3137.7169.6-62.7162.4000110.8I213 A216 E217 W250 F254 I258I213-L244 HydrophobicContact CB-CD2 4.48Å; I213-L244 HydrophobicContact CG1-CD2 4.15Å; I213-L244 HydrophobicContact CG2-CD2 4.33Å; A216-L244 HydrophobicContact CB-CD2 3.56Å; E217-L244 HydrophobicContact CG-CD2 4.21Å; E217-L244 WeakPolarHBondContact OE1-CA 3.36Å; L244-W250 HydrophobicContact CD1-CB 3.88Å; L244-W250 HydrophobicContact CD1-CD2 4.46Å; L244-W250 HydrophobicContact CD1-CG 3.75Å; L244-F254 HydrophobicContact CD1-CD1 3.82Å; L244-F254 HydrophobicContact CD1-CE1 3.75Å; L244-F254 HydrophobicContact CD1-CG 4.35Å; L244-F254 HydrophobicContact CD1-CZ 4.24Å; L244-F254 HydrophobicContact CD2-CE1 4.48Å; L244-I258 HydrophobicContact CD1-CD1 3.51Å; L244-I258 HydrophobicContact CD2-CD1 4.06Å; L244-I258 HydrophobicContact CG-CD1 3.65Å
245Q88.9Confident90.1Very high142 Ų14283.2 Ų83.266%0.66442%0.418SS*.SBendtrans-71.4-54-172.1-64.5176.653.200111E217 S243 R247E217-Q245 PolarHBondContact OE1-N 3.32Å; E217-Q245 PolarHBondContact OE2-NE2 2.87Å; S243-Q245 PolarHBondContact O-N 2.95Å; Q245-R247 PolarHBondContact O-N 3.19Å
246D86.6Confident91Very high81 Ų8183.5 Ų83.543%0.43341%0.413SS..  trans-79.2110.9169.4-173.2-24.7000109.1H248 K249 W250D246-H248 PolarHBondContact OD1-N 2.78Å; D246-K249 HydrophobicContact CB-CB 4.03Å; D246-K249 VanDerWaalsContact CG-CB 3.43Å; D246-K249 PolarHBondContact OD1-N 2.94Å; D246-K249 WeakPolarHBondContact OD2-CB 3.22Å; D246-W250 VanDerWaalsContact O-CD1 3.23Å
247R86.2Confident91.8Very high145 Ų14581.1 Ų81.155%0.54740%0.396SS..SBendtrans-77.6-23.1-180-61.1-169.4-174.8-66.8-12.6113.4S243 Q245 H255S243-R247 PolarHBondContact OG-NH1 2.89Å; S243-R247 PolarHBondContact OG-NH2 2.85Å; Q245-R247 PolarHBondContact O-N 3.19Å; R247-H255 PolarHBondContact O-NE2 3.45Å
248H88.4Confident92.6Very high182 Ų18270.1 Ų70.184%0.84336%0.355SS*.SBendtrans-96.9-24.4-168.9-63.7-77.1000112.8D246 W250D246-H248 PolarHBondContact OD1-N 2.78Å; H248-W250 PolarHBondContact O-N 3.27Å
249K91.6Very high93.3Very high108 Ų10871.1 Ų71.147%0.4735%0.353SS..SBendtrans-62.5-25.3172.2178.3179.5174.7-166.10114.4D246D246-K249 HydrophobicContact CB-CB 4.03Å; D246-K249 VanDerWaalsContact CG-CB 3.43Å; D246-K249 PolarHBondContact OD1-N 2.94Å; D246-K249 WeakPolarHBondContact OD2-CB 3.22Å
250W94.6Very high93.8Very high23 Ų2371.7 Ų71.79%0.08736%0.36CS..SBendtrans-123.8146-165.8-55.3114.9000113.4P114 E117 A216 L244 D246 H248 F254 H255P114-W250 HydrophobicContact CB-CH2 4.3Å; E117-W250 HydrophobicContact CG-CE3 3.63Å; E117-W250 HydrophobicContact CG-CZ3 3.9Å; E117-W250 VanDerWaalsContact OE1-CA 3.26Å; E117-W250 WeakPolarHBondContact OE1-CA 3.31Å; A216-W250 HydrophobicContact CB-CH2 3.86Å; A216-W250 HydrophobicContact CB-CZ2 3.48Å; A216-W250 VanDerWaalsContact CB-CZ2 3.48Å; A216-W250 WeakPolarHBondContact O-CZ2 3.44Å; L244-W250 HydrophobicContact CD1-CB 3.88Å; L244-W250 HydrophobicContact CD1-CD2 4.46Å; L244-W250 HydrophobicContact CD1-CG 3.75Å; D246-W250 VanDerWaalsContact O-CD1 3.23Å; H248-W250 PolarHBondContact O-N 3.27Å; W250-F254 HydrophobicContact CB-CD1 4.01Å; W250-F254 HydrophobicContact CD2-CD1 4.08Å; W250-F254 AromaticContact CD2-CE1 3.99Å; W250-F254 HydrophobicContact CD2-CE1 3.99Å; W250-F254 AromaticContact CE3-CD1 3.87Å; W250-F254 HydrophobicContact CE3-CD1 3.87Å; W250-F254 AromaticContact CE3-CE1 3.82Å; W250-F254 HydrophobicContact CE3-CE1 3.82Å; W250-F254 HydrophobicContact CG-CD1 4.2Å; W250-F254 HydrophobicContact CG-CE1 4.4Å; W250-F254 HydrophobicContact CZ3-CE1 4.2Å; W250-H255 PolarHBondContact O-CD2 3.2Å; W250-H255 PolarHBondContact O-NE2 2.76Å
251S95.8Very high94.2Very high33 Ų3363.5 Ų63.523%0.23132%0.324CS..  trans-69.1152.3-171.180.50000113.8E117 L253 F254 H255E117-S251 PolarHBondContact OE1-N 2.92Å; E117-S251 WeakPolarHBondContact OE2-CB 3.35Å; E117-S251 PolarHBondContact OE2-OG 2.9Å; S251-L253 PolarHBondContact O-N 2.92Å; S251-L253 PolarHBondContact OG-N 3.29Å; S251-F254 PolarHBondContact O-N 3Å; S251-F254 VanDerWaalsContact O-N 3.11Å; S251-F254 PolarHBondContact OG-N 2.85Å; S251-F254 VanDerWaalsContact OG-N 3.09Å; S251-H255 PolarHBondContact O-CD2 3.03Å; S251-H255 VanDerWaalsContact O-CD2 3.25Å; S251-H255 PolarHBondContact O-N 3.12Å
252P95.8Very high94.3Very high110 Ų11061.2 Ų61.271%0.71431%0.309SS*.Hα-helixtrans-58.1-27172.1-25.635.3000113.8S256P252-S256 VanDerWaalsContact O-CB 3.24Å; P252-S256 WeakPolarHBondContact O-CB 3.25Å; P252-S256 PolarHBondContact O-N 2.99Å
253L95.7Very high94.4Very high84 Ų8462.1 Ų62.144%0.4431%0.312SS..Hα-helixtrans-70.6-43.2175.3-68178.7000111.2S251 S256 F257 H278 N279 F280S251-L253 PolarHBondContact O-N 2.92Å; S251-L253 PolarHBondContact OG-N 3.29Å; L253-S256 WeakPolarHBondContact O-CB 3.48Å; L253-S256 PolarHBondContact O-N 2.93Å; L253-F257 PolarHBondContact O-N 3.34Å; L253-H278 VanDerWaalsContact C-CE1 3.45Å; L253-H278 PolarHBondContact O-CE1 2.79Å; L253-N279 HydrophobicContact CD2-CB 4Å; L253-F280 HydrophobicContact CB-CB 4.29Å; L253-F280 HydrophobicContact CB-CD2 4.21Å
254F97.4Very high94.2Very high0 Ų063.1 Ų63.10%031%0.31CS..Hα-helixtrans-66.8-44.6177.4-171.9-161000111.9E117 I120 A212 A216 L244 W250 S251 S256 F257 I258 F280E117-F254 HydrophobicContact CG-CD1 3.77Å; E117-F254 HydrophobicContact CG-CE1 4.34Å; E117-F254 HydrophobicContact CG-CG 4.41Å; E117-F254 WeakPolarHBondContact OE2-CB 3.32Å; I120-F254 HydrophobicContact CD1-CE1 4.07Å; I120-F254 HydrophobicContact CD1-CZ 3.86Å; I120-F254 HydrophobicContact CG2-CE2 3.83Å; I120-F254 HydrophobicContact CG2-CZ 3.85Å; A212-F254 HydrophobicContact CB-CE2 4.02Å; A212-F254 HydrophobicContact CB-CZ 4.49Å; A216-F254 HydrophobicContact CB-CE1 4.04Å; A216-F254 HydrophobicContact CB-CZ 4.09Å; L244-F254 HydrophobicContact CD1-CD1 3.82Å; L244-F254 HydrophobicContact CD1-CE1 3.75Å; L244-F254 HydrophobicContact CD1-CG 4.35Å; L244-F254 HydrophobicContact CD1-CZ 4.24Å; L244-F254 HydrophobicContact CD2-CE1 4.48Å; W250-F254 HydrophobicContact CB-CD1 4.01Å; W250-F254 HydrophobicContact CD2-CD1 4.08Å; W250-F254 AromaticContact CD2-CE1 3.99Å; W250-F254 HydrophobicContact CD2-CE1 3.99Å; W250-F254 AromaticContact CE3-CD1 3.87Å; W250-F254 HydrophobicContact CE3-CD1 3.87Å; W250-F254 AromaticContact CE3-CE1 3.82Å; W250-F254 HydrophobicContact CE3-CE1 3.82Å; W250-F254 HydrophobicContact CG-CD1 4.2Å; W250-F254 HydrophobicContact CG-CE1 4.4Å; W250-F254 HydrophobicContact CZ3-CE1 4.2Å; S251-F254 PolarHBondContact O-N 3Å; S251-F254 VanDerWaalsContact O-N 3.11Å; S251-F254 PolarHBondContact OG-N 2.85Å; S251-F254 VanDerWaalsContact OG-N 3.09Å; F254-S256 VanDerWaalsContact C-N 3.26Å; F254-S256 PolarHBondContact O-N 2.89Å; F254-F257 PolarHBondContact O-N 2.81Å; F254-I258 HydrophobicContact CD2-CD1 3.84Å; F254-I258 HydrophobicContact CD2-CG1 4.09Å; F254-I258 HydrophobicContact CE1-CD1 4.49Å; F254-I258 HydrophobicContact CE2-CD1 3.48Å; F254-I258 VanDerWaalsContact CE2-CD1 3.48Å; F254-I258 HydrophobicContact CE2-CG1 3.86Å; F254-I258 HydrophobicContact CG-CD1 4.49Å; F254-I258 HydrophobicContact CZ-CD1 3.83Å; F254-I258 PolarHBondContact O-N 3.01Å; F254-F280 HydrophobicContact CB-CD2 3.97Å; F254-F280 HydrophobicContact CB-CE2 3.51Å; F254-F280 HydrophobicContact CB-CZ 3.9Å; F254-F280 HydrophobicContact CD1-CZ 4.41Å; F254-F280 HydrophobicContact CD2-CD1 4.31Å; F254-F280 AromaticContact CD2-CE1 3.54Å; F254-F280 HydrophobicContact CD2-CE1 3.54Å; F254-F280 AromaticContact CD2-CE2 3.87Å; F254-F280 HydrophobicContact CD2-CE2 3.87Å; F254-F280 AromaticContact CD2-CZ 3.28Å; F254-F280 HydrophobicContact CD2-CZ 3.28Å; F254-F280 HydrophobicContact CE2-CE1 4Å; F254-F280 AromaticContact CE2-CZ 3.86Å; F254-F280 HydrophobicContact CE2-CZ 3.86Å; F254-F280 HydrophobicContact CG-CE1 4.31Å; F254-F280 AromaticContact CG-CE2 3.79Å; F254-F280 HydrophobicContact CG-CE2 3.79Å; F254-F280 AromaticContact CG-CZ 3.63Å; F254-F280 HydrophobicContact CG-CZ 3.63Å
255H97Very high93.9Very high43 Ų4365.5 Ų65.520%0.19933%0.33CS..Hα-helixtrans-58.3-37.6171.1-76.6-75.7000112.2R247 W250 S251 K259R247-H255 PolarHBondContact O-NE2 3.45Å; W250-H255 PolarHBondContact O-CD2 3.2Å; W250-H255 PolarHBondContact O-NE2 2.76Å; S251-H255 PolarHBondContact O-CD2 3.03Å; S251-H255 VanDerWaalsContact O-CD2 3.25Å; S251-H255 PolarHBondContact O-N 3.12Å; H255-K259 WeakPolarHBondContact O-CB 3.47Å; H255-K259 PolarHBondContact O-N 2.9Å
256S97Very high93.8Very high46 Ų4660.9 Ų60.932%0.32231%0.308SS..Hα-helixtrans-65.5-45.1174.9-1770000112P252 L253 F254 K259 C260 H278P252-S256 VanDerWaalsContact O-CB 3.24Å; P252-S256 WeakPolarHBondContact O-CB 3.25Å; P252-S256 PolarHBondContact O-N 2.99Å; L253-S256 WeakPolarHBondContact O-CB 3.48Å; L253-S256 PolarHBondContact O-N 2.93Å; F254-S256 VanDerWaalsContact C-N 3.26Å; F254-S256 PolarHBondContact O-N 2.89Å; S256-K259 PolarHBondContact O-N 3Å; S256-C260 PolarHBondContact O-N 2.8Å; S256-C260 PolarHBondContact O-SG 3.42Å; S256-C260 VanDerWaalsContact O-SG 3.41Å; S256-H278 WeakPolarHBondContact CB-CE1 3.17Å; S256-H278 WeakPolarHBondContact CB-NE2 3.4Å; S256-H278 PolarHBondContact O-NE2 2.79Å; S256-H278 VanDerWaalsContact O-NE2 3.13Å; S256-H278 PolarHBondContact OG-NE2 3.1Å
257F98Very high93.9Very high0 Ų068.2 Ų68.20%033%0.33CS..Hα-helixtrans-59.6-51.9178.6179.7-96.4000111.7L128 V208 A212 L253 F254 K259 C260 C261 M275 H278 F280 I281L128-F257 HydrophobicContact CD1-CE2 4.02Å; L128-F257 HydrophobicContact CD1-CZ 3.94Å; V208-F257 HydrophobicContact CG1-CE1 4.21Å; V208-F257 HydrophobicContact CG1-CZ 4.03Å; A212-F257 HydrophobicContact CB-CE1 4.39Å; L253-F257 PolarHBondContact O-N 3.34Å; F254-F257 PolarHBondContact O-N 2.81Å; F257-K259 VanDerWaalsContact C-N 3.31Å; F257-K259 PolarHBondContact O-N 2.76Å; F257-C260 WeakPolarHBondContact O-CB 3.47Å; F257-C260 PolarHBondContact O-N 2.9Å; F257-C260 VanDerWaalsContact O-N 3.13Å; F257-C261 PolarHBondContact O-N 3.44Å; F257-M275 HydrophobicContact CD2-CE 3.31Å; F257-M275 HydrophobicContact CE2-CE 3.23Å; F257-M275 HydrophobicContact CG-CE 4.09Å; F257-M275 HydrophobicContact CZ-CE 3.94Å; F257-H278 HydrophobicContact CD2-CB 4.4Å; F257-H278 AromaticContact CD2-ND1 3.91Å; F257-H278 PolarHBondContact N-CE1 3.23Å; F257-H278 PolarHBondContact N-NE2 2.91Å; F257-F280 HydrophobicContact CB-CB 3.86Å; F257-F280 HydrophobicContact CB-CD1 3.59Å; F257-F280 HydrophobicContact CB-CE1 4.41Å; F257-F280 HydrophobicContact CB-CG 3.92Å; F257-F280 AromaticContact CD1-CD1 3.78Å; F257-F280 HydrophobicContact CD1-CD1 3.78Å; F257-F280 HydrophobicContact CD1-CE1 4.04Å; F257-F280 HydrophobicContact CD2-CB 4.23Å; F257-F280 AromaticContact CD2-CD1 3.77Å; F257-F280 HydrophobicContact CD2-CD1 3.77Å; F257-F280 HydrophobicContact CD2-CG 4.47Å; F257-F280 HydrophobicContact CE1-CD1 4.41Å; F257-F280 HydrophobicContact CE2-CD1 4.39Å; F257-F280 HydrophobicContact CG-CB 4.29Å; F257-F280 AromaticContact CG-CD1 3.44Å; F257-F280 HydrophobicContact CG-CD1 3.44Å; F257-F280 VanDerWaalsContact CG-CD1 3.44Å; F257-F280 HydrophobicContact CG-CE1 4.16Å; F257-F280 HydrophobicContact CG-CG 4.21Å; F257-I281 HydrophobicContact CD2-CG2 4.03Å; F257-I281 HydrophobicContact CE2-CD1 4.1Å; F257-I281 HydrophobicContact CE2-CG1 4.35Å; F257-I281 HydrophobicContact CE2-CG2 3.65Å; F257-I281 HydrophobicContact CZ-CG2 4.19Å
258I97.9Very high94.2Very high5 Ų571 Ų713%0.02634%0.34CS..Hα-helixtrans-58.5-44176.3-69.9170.6000110.8A212 I213 L244 F254 C260 C261 L262A212-I258 HydrophobicContact CB-CG1 4.4Å; I213-I258 HydrophobicContact CD1-CG2 4.03Å; I213-I258 HydrophobicContact CG1-CD1 3.89Å; I213-I258 HydrophobicContact CG1-CG2 4.27Å; L244-I258 HydrophobicContact CD1-CD1 3.51Å; L244-I258 HydrophobicContact CD2-CD1 4.06Å; L244-I258 HydrophobicContact CG-CD1 3.65Å; F254-I258 HydrophobicContact CD2-CD1 3.84Å; F254-I258 HydrophobicContact CD2-CG1 4.09Å; F254-I258 HydrophobicContact CE1-CD1 4.49Å; F254-I258 HydrophobicContact CE2-CD1 3.48Å; F254-I258 VanDerWaalsContact CE2-CD1 3.48Å; F254-I258 HydrophobicContact CE2-CG1 3.86Å; F254-I258 HydrophobicContact CG-CD1 4.49Å; F254-I258 HydrophobicContact CZ-CD1 3.83Å; F254-I258 PolarHBondContact O-N 3.01Å; I258-C260 VanDerWaalsContact C-N 3.29Å; I258-C260 PolarHBondContact O-N 3.36Å; I258-C261 PolarHBondContact O-N 3.42Å; I258-L262 HydrophobicContact CG2-CD1 3.61Å; I258-L262 HydrophobicContact CG2-CG 4.16Å; I258-L262 WeakPolarHBondContact O-CB 3.3Å; I258-L262 WeakPolarHBondContact O-CG 3.49Å; I258-L262 PolarHBondContact O-N 2.92Å
259K97.1Very high94.5Very high161 Ų16162.6 Ų62.670%0.730%0.301SS*.Hα-helixtrans-63.5-31.7178.6-177-177.2178-172.80113H255 S256 F257 I263H255-K259 WeakPolarHBondContact O-CB 3.47Å; H255-K259 PolarHBondContact O-N 2.9Å; S256-K259 PolarHBondContact O-N 3Å; F257-K259 VanDerWaalsContact C-N 3.31Å; F257-K259 PolarHBondContact O-N 2.76Å; K259-I263 WeakPolarHBondContact O-CG1 3.43Å
260C97.4Very high94.7Very high37 Ų3758.5 Ų58.525%0.2529%0.285CS..Hα-helixtrans-73-44.6173.4-75.20000112S256 F257 I258 I263 P270 M275S256-C260 PolarHBondContact O-N 2.8Å; S256-C260 PolarHBondContact O-SG 3.42Å; S256-C260 VanDerWaalsContact O-SG 3.41Å; F257-C260 WeakPolarHBondContact O-CB 3.47Å; F257-C260 PolarHBondContact O-N 2.9Å; F257-C260 VanDerWaalsContact O-N 3.13Å; I258-C260 VanDerWaalsContact C-N 3.29Å; I258-C260 PolarHBondContact O-N 3.36Å; C260-I263 WeakPolarHBondContact O-CG1 3.24Å; C260-P270 HydrophobicContact CB-CG 4.32Å; C260-P270 VanDerWaalsContact O-CD 3.3Å; C260-P270 WeakPolarHBondContact O-CD 3.41Å; C260-M275 HydrophobicContact CB-CE 4.15Å; C260-M275 HydrophobicContact CB-SD 3.76Å
261C97.6Very high94.8Very high0 Ų060.5 Ų60.50%030%0.298CS..Hα-helixtrans-60.7-46.3173.6-79.40000112.5I205 G209 F257 I258 I263 R269I205-C261 VanDerWaalsContact O-CB 3.27Å; I205-C261 WeakPolarHBondContact O-CB 3.3Å; I205-C261 PolarHBondContact O-SG 3.09Å; G209-C261 VanDerWaalsContact CA-CB 3.47Å; F257-C261 PolarHBondContact O-N 3.44Å; I258-C261 PolarHBondContact O-N 3.42Å; C261-I263 VanDerWaalsContact C-N 3.26Å; C261-I263 PolarHBondContact O-N 3.05Å; C261-I263 VanDerWaalsContact O-N 3.15Å; C261-R269 WeakPolarHBondContact O-CD 3.42Å; C261-R269 WeakPolarHBondContact O-CG 3.49Å; C261-R269 PolarHBondContact O-NE 3.17Å
262L96.9Very high94.8Very high5 Ų559 Ų593%0.02629%0.287CS..THydrogen-bonded Turntrans-90.133.3-170.3-56.2-175.9000113.7W206 I210 I213 P241 P242 I258 K264W206-L262 HydrophobicContact CD2-CD2 3.63Å; W206-L262 HydrophobicContact CE3-CB 4.25Å; W206-L262 HydrophobicContact CE3-CD2 3.89Å; W206-L262 HydrophobicContact CG-CD2 3.98Å; W206-L262 HydrophobicContact CH2-CB 4.31Å; W206-L262 HydrophobicContact CH2-CD2 4.38Å; W206-L262 HydrophobicContact CZ2-CD2 4.18Å; W206-L262 VanDerWaalsContact CZ3-C 3.5Å; W206-L262 HydrophobicContact CZ3-CB 3.99Å; W206-L262 HydrophobicContact CZ3-CD2 4.26Å; W206-L262 WeakPolarHBondContact CZ3-O 3.43Å; W206-L262 WeakPolarHBondContact O-CD2 3.44Å; I210-L262 HydrophobicContact CD1-CD1 4.07Å; I210-L262 HydrophobicContact CD1-CD2 3.77Å; I210-L262 HydrophobicContact CG1-CD2 3.99Å; I213-L262 HydrophobicContact CD1-CD1 3.83Å; P241-L262 HydrophobicContact CB-CB 4.04Å; P241-L262 WeakPolarHBondContact CB-O 3.44Å; P241-L262 WeakPolarHBondContact CG-O 3.46Å; P242-L262 HydrophobicContact CG-CD1 3.87Å; I258-L262 HydrophobicContact CG2-CD1 3.61Å; I258-L262 HydrophobicContact CG2-CG 4.16Å; I258-L262 WeakPolarHBondContact O-CB 3.3Å; I258-L262 WeakPolarHBondContact O-CG 3.49Å; I258-L262 PolarHBondContact O-N 2.92Å; L262-K264 PolarHBondContact O-N 3.11Å
263I94.8Very high94.8Very high51 Ų5156 Ų5626%0.26227%0.272SS..  trans-70.7112.7170.8-65.1176.4000109.1K259 C260 C261 A265 R268 R269K259-I263 WeakPolarHBondContact O-CG1 3.43Å; C260-I263 WeakPolarHBondContact O-CG1 3.24Å; C261-I263 VanDerWaalsContact C-N 3.26Å; C261-I263 PolarHBondContact O-N 3.05Å; C261-I263 VanDerWaalsContact O-N 3.15Å; I263-A265 HydrophobicContact CG2-CB 4.44Å; I263-A265 PolarHBondContact O-N 3.05Å; I263-A265 VanDerWaalsContact O-N 3.14Å; I263-R268 WeakPolarHBondContact CD1-O 3.47Å; I263-R268 HydrophobicContact CG2-CB 3.85Å; I263-R269 HydrophobicContact CB-CB 4.19Å; I263-R269 HydrophobicContact CB-CG 4.31Å; I263-R269 PolarHBondContact O-NE 3.06Å; I263-R269 PolarHBondContact O-NH2 2.86Å
264K89.9Confident94.9Very high70 Ų7055.3 Ų55.330%0.30427%0.272SS..SBendtrans-57.4-26.1-179.7-174.8171.2-173.6178.70114P187 S236 R237 Y239 P241 L262P187-K264 HydrophobicContact CB-CG 4.44Å; P187-K264 HydrophobicContact CG-CG 3.93Å; S236-K264 PolarHBondContact O-NZ 2.93Å; R237-K264 PolarHBondContact O-NZ 2.72Å; Y239-K264 HydrophobicContact CD1-CD 4.39Å; Y239-K264 WeakPolarHBondContact O-CD 3.34Å; Y239-K264 PolarHBondContact O-NZ 3.21Å; P241-K264 HydrophobicContact CG-CB 3.99Å; L262-K264 PolarHBondContact O-N 3.11Å
265A87.5Confident94.9Very high49 Ų4955.5 Ų55.541%0.40527%0.272SS..SBendtrans-94.698.2177.200000110.3I263 R267 R268 R269I263-A265 HydrophobicContact CG2-CB 4.44Å; I263-A265 PolarHBondContact O-N 3.05Å; I263-A265 VanDerWaalsContact O-N 3.14Å; A265-R267 VanDerWaalsContact C-N 3.3Å; A265-R267 PolarHBondContact O-N 2.86Å; A265-R267 VanDerWaalsContact O-N 3.14Å; A265-R268 HydrophobicContact CB-CB 4.32Å; A265-R268 CarbonylContact O-C 3.59Å; A265-R268 WeakPolarHBondContact O-CA 3.39Å; A265-R268 PolarHBondContact O-N 2.79Å; A265-R269 PolarHBondContact O-N 3.43Å; A265-R269 VanDerWaalsContact O-N 3.12Å
266E86.9Confident95Very high46 Ų4655.2 Ų55.222%0.21527%0.272CS..G310 helixtrans-31-56.7173179.8-168.3-144.100113.9E188 Y199 D200 K202 R268 R269E188-E266 HydrophobicContact CG-CB 4.26Å; E188-E266 HydrophobicContact CG-CG 4.45Å; Y199-E266 WeakPolarHBondContact CA-OE1 3.37Å; D200-E266 PolarHBondContact N-OE1 3.1Å; K202-E266 HydrophobicContact CB-CG 4.33Å; E266-R268 PolarHBondContact O-N 3.37Å; E266-R269 WeakPolarHBondContact O-CB 3.26Å; E266-R269 PolarHBondContact O-N 3.04Å
267R87.5Confident95Very high234 Ų23457.7 Ų57.788%0.88329%0.285SS*.G310 helixtrans-60.9-17.1179.6-62.2-176.5-175.5174.50.2115.8A265A265-R267 VanDerWaalsContact C-N 3.3Å; A265-R267 PolarHBondContact O-N 2.86Å; A265-R267 VanDerWaalsContact O-N 3.14Å
268R93.2Very high95Very high205 Ų20559 Ų5977%0.77429%0.292SS*.G310 helixtrans-105.9-8.2174.6-69.4-174176-171.6-1.8112.8I263 A265 E266I263-R268 WeakPolarHBondContact CD1-O 3.47Å; I263-R268 HydrophobicContact CG2-CB 3.85Å; A265-R268 HydrophobicContact CB-CB 4.32Å; A265-R268 CarbonylContact O-C 3.59Å; A265-R268 WeakPolarHBondContact O-CA 3.39Å; A265-R268 PolarHBondContact O-N 2.79Å; E266-R268 PolarHBondContact O-N 3.37Å
269R95.2Very high94.9Very high4 Ų464.2 Ų64.22%0.01532%0.319CS..SBendtrans-71.8134.5172.7-160.7179.9-56.9141.58.7107.9E188 K202 I205 C261 I263 A265 E266E188-R269 IonicContact OE1-CZ 3.4Å; E188-R269 IonicContact OE1-NH1 3.76Å; E188-R269 PolarHBondContact OE1-NH1 3.37Å; E188-R269 IonicContact OE1-NH2 2.62Å; E188-R269 PolarHBondContact OE1-NH2 2.9Å; E188-R269 IonicContact OE2-CZ 3.79Å; E188-R269 IonicContact OE2-NH1 2.79Å; E188-R269 IonicContact OE2-NH2 3.35Å; E188-R269 PolarHBondContact OE2-NH2 2.88Å; K202-R269 VanDerWaalsContact C-NH1 3.28Å; K202-R269 HydrophobicContact CB-CB 4.34Å; K202-R269 HydrophobicContact CD-CB 4.27Å; K202-R269 VanDerWaalsContact CD-O 3.27Å; K202-R269 WeakPolarHBondContact CD-O 3.31Å; K202-R269 WeakPolarHBondContact CE-O 3.36Å; K202-R269 PolarHBondContact NZ-O 2.96Å; K202-R269 VanDerWaalsContact O-CD 3.3Å; K202-R269 WeakPolarHBondContact O-CD 3.09Å; K202-R269 PolarHBondContact O-NH1 2.89Å; I205-R269 HydrophobicContact CG2-CG 4.32Å; C261-R269 WeakPolarHBondContact O-CD 3.42Å; C261-R269 WeakPolarHBondContact O-CG 3.49Å; C261-R269 PolarHBondContact O-NE 3.17Å; I263-R269 HydrophobicContact CB-CB 4.19Å; I263-R269 HydrophobicContact CB-CG 4.31Å; I263-R269 PolarHBondContact O-NE 3.06Å; I263-R269 PolarHBondContact O-NH2 2.86Å; A265-R269 PolarHBondContact O-N 3.43Å; A265-R269 VanDerWaalsContact O-N 3.12Å; E266-R269 WeakPolarHBondContact O-CB 3.26Å; E266-R269 PolarHBondContact O-N 3.04Å
270P96.1Very high94.8Very high22 Ų2257 Ų5714%0.14329%0.288CS..  trans-64.1152.8171.727.2-35.1000111.1K202 C260 T274 M275K202-P270 WeakPolarHBondContact CD-O 3.46Å; C260-P270 HydrophobicContact CB-CG 4.32Å; C260-P270 VanDerWaalsContact O-CD 3.3Å; C260-P270 WeakPolarHBondContact O-CD 3.41Å; P270-T274 HydrophobicContact CB-CG2 3.59Å; P270-M275 HydrophobicContact CB-CG 4.03Å; P270-M275 HydrophobicContact CB-SD 4.01Å; P270-M275 HydrophobicContact CG-CG 3.73Å; P270-M275 HydrophobicContact CG-SD 3.27Å; P270-M275 WeakPolarHBondContact CG-SD 3.35Å
271D95.4Very high94.8Very high65 Ų6555.3 Ų55.335%0.34828%0.276SS..  trans-82.7177169.446.651.1000111.6K202 A273 T274 M275K202-D271 HydrophobicContact CD-CB 4.26Å; D271-A273 VanDerWaalsContact C-N 3.34Å; D271-A273 PolarHBondContact O-N 3.5Å; D271-A273 PolarHBondContact OD1-N 2.84Å; D271-T274 PolarHBondContact O-N 2.88Å; D271-T274 VanDerWaalsContact OD1-CB 3.23Å; D271-T274 WeakPolarHBondContact OD1-CB 3.35Å; D271-T274 PolarHBondContact OD1-N 3.47Å; D271-T274 PolarHBondContact OD1-OG1 2.83Å; D271-M275 WeakPolarHBondContact O-CG 3.35Å; D271-M275 PolarHBondContact O-N 3.13Å
272A96.4Very high94.6Very high1 Ų158.3 Ų58.31%0.00830%0.295CS..Hα-helixtrans-59.4-43.6179.100000112.1L128 L131 N132 I205 T274 M275 L276L128-A272 HydrophobicContact CD2-CB 4.36Å; L131-A272 HydrophobicContact CB-CB 4.37Å; N132-A272 HydrophobicContact CB-CB 3.66Å; I205-A272 HydrophobicContact CD1-CB 3.88Å; A272-T274 VanDerWaalsContact C-N 3.35Å; A272-T274 PolarHBondContact O-N 3.04Å; A272-M275 PolarHBondContact O-N 3.1Å; A272-L276 WeakPolarHBondContact O-CB 3.46Å; A272-L276 VanDerWaalsContact O-CG 3.22Å; A272-L276 WeakPolarHBondContact O-CG 3.42Å; A272-L276 PolarHBondContact O-N 3.38Å
273A96.8Very high94.2Very high47 Ų4760.2 Ų60.239%0.38831%0.305SS..Hα-helixtrans-60.2-42.6177.400000112.3D271 L276D271-A273 VanDerWaalsContact C-N 3.34Å; D271-A273 PolarHBondContact O-N 3.5Å; D271-A273 PolarHBondContact OD1-N 2.84Å; A273-L276 PolarHBondContact O-N 2.95Å
274T97.4Very high93.9Very high71 Ų7163.5 Ų63.544%0.43633%0.33SS..Hα-helixtrans-67.1-46.2176.1-56.80000111P270 D271 A272 L276 T277P270-T274 HydrophobicContact CB-CG2 3.59Å; D271-T274 PolarHBondContact O-N 2.88Å; D271-T274 VanDerWaalsContact OD1-CB 3.23Å; D271-T274 WeakPolarHBondContact OD1-CB 3.35Å; D271-T274 PolarHBondContact OD1-N 3.47Å; D271-T274 PolarHBondContact OD1-OG1 2.83Å; A272-T274 VanDerWaalsContact C-N 3.35Å; A272-T274 PolarHBondContact O-N 3.04Å; T274-L276 VanDerWaalsContact C-N 3.26Å; T274-L276 PolarHBondContact O-N 3.16Å; T274-T277 PolarHBondContact O-N 3.12Å; T274-T277 PolarHBondContact O-OG1 2.96Å
275M97.8Very high93.9Very high3 Ų367.3 Ų67.32%0.01535%0.348CS..Hα-helixtrans-61.9-33.3178.4-75.7-57.4-58.500112.7L128 I205 F257 C260 P270 D271 A272 T277 H278 I281L128-M275 HydrophobicContact CD1-CB 3.83Å; L128-M275 HydrophobicContact CD2-CB 4.08Å; I205-M275 HydrophobicContact CG2-CG 3.83Å; F257-M275 HydrophobicContact CD2-CE 3.31Å; F257-M275 HydrophobicContact CE2-CE 3.23Å; F257-M275 HydrophobicContact CG-CE 4.09Å; F257-M275 HydrophobicContact CZ-CE 3.94Å; C260-M275 HydrophobicContact CB-CE 4.15Å; C260-M275 HydrophobicContact CB-SD 3.76Å; P270-M275 HydrophobicContact CB-CG 4.03Å; P270-M275 HydrophobicContact CB-SD 4.01Å; P270-M275 HydrophobicContact CG-CG 3.73Å; P270-M275 HydrophobicContact CG-SD 3.27Å; P270-M275 WeakPolarHBondContact CG-SD 3.35Å; D271-M275 WeakPolarHBondContact O-CG 3.35Å; D271-M275 PolarHBondContact O-N 3.13Å; A272-M275 PolarHBondContact O-N 3.1Å; M275-T277 PolarHBondContact O-N 3.43Å; M275-T277 VanDerWaalsContact O-N 3.08Å; M275-H278 HydrophobicContact CE-CB 4.45Å; M275-H278 VanDerWaalsContact O-CB 3.28Å; M275-H278 WeakPolarHBondContact O-CB 3.38Å; M275-H278 PolarHBondContact O-N 3.17Å; M275-I281 WeakPolarHBondContact O-CD1 3.44Å
276L97.5Very high94.2Very high38 Ų3865.1 Ų65.120%0.19933%0.33CS..THydrogen-bonded Turntrans-62.5-8.9174-74.4167.6000114.5R125 L128 Q129 N132 A272 A273 T274 I281 T282R125-L276 HydrophobicContact CG-CD2 4.09Å; L128-L276 HydrophobicContact CB-CD2 3.74Å; L128-L276 HydrophobicContact CB-CG 4.01Å; Q129-L276 HydrophobicContact CG-CD1 4.31Å; Q129-L276 HydrophobicContact CG-CD2 3.74Å; N132-L276 HydrophobicContact CB-CD1 3.93Å; A272-L276 WeakPolarHBondContact O-CB 3.46Å; A272-L276 VanDerWaalsContact O-CG 3.22Å; A272-L276 WeakPolarHBondContact O-CG 3.42Å; A272-L276 PolarHBondContact O-N 3.38Å; A273-L276 PolarHBondContact O-N 2.95Å; T274-L276 VanDerWaalsContact C-N 3.26Å; T274-L276 PolarHBondContact O-N 3.16Å; L276-I281 HydrophobicContact CD2-CD1 4.26Å; L276-T282 VanDerWaalsContact O-CG2 3.22Å; L276-T282 WeakPolarHBondContact O-CG2 3.28Å
277T97.4Very high94.6Very high97 Ų9765.3 Ų65.360%0.59534%0.336SS*.THydrogen-bonded Turntrans-96.3-5171.770.10000113.9T274 M275T274-T277 PolarHBondContact O-N 3.12Å; T274-T277 PolarHBondContact O-OG1 2.96Å; M275-T277 PolarHBondContact O-N 3.43Å; M275-T277 VanDerWaalsContact O-N 3.08Å
278H97.5Very high95Very high29 Ų2955.7 Ų55.713%0.13430%0.304CS..  trans-73.5128.2-173.4-171.4-77.3000112.8L253 S256 F257 M275 F280 I281 T282L253-H278 VanDerWaalsContact C-CE1 3.45Å; L253-H278 PolarHBondContact O-CE1 2.79Å; S256-H278 WeakPolarHBondContact CB-CE1 3.17Å; S256-H278 WeakPolarHBondContact CB-NE2 3.4Å; S256-H278 PolarHBondContact O-NE2 2.79Å; S256-H278 VanDerWaalsContact O-NE2 3.13Å; S256-H278 PolarHBondContact OG-NE2 3.1Å; F257-H278 HydrophobicContact CD2-CB 4.4Å; F257-H278 AromaticContact CD2-ND1 3.91Å; F257-H278 PolarHBondContact N-CE1 3.23Å; F257-H278 PolarHBondContact N-NE2 2.91Å; M275-H278 HydrophobicContact CE-CB 4.45Å; M275-H278 VanDerWaalsContact O-CB 3.28Å; M275-H278 WeakPolarHBondContact O-CB 3.38Å; M275-H278 PolarHBondContact O-N 3.17Å; H278-F280 VanDerWaalsContact CE1-CB 3.45Å; H278-F280 WeakPolarHBondContact CE1-CB 3.07Å; H278-F280 WeakPolarHBondContact ND1-CB 3.44Å; H278-F280 PolarHBondContact ND1-N 3.08Å; H278-F280 VanDerWaalsContact ND1-N 3.17Å; H278-F280 PolarHBondContact O-N 2.92Å; H278-I281 WeakPolarHBondContact O-CG1 3.3Å; H278-I281 PolarHBondContact O-N 3.13Å; H278-T282 PolarHBondContact O-N 3.34Å; H278-T282 PolarHBondContact O-OG1 3.26Å
279N95.8Very high95.1Very high113 Ų11350 Ų5060%0.60429%0.288SS*.THydrogen-bonded Turntrans-50.7-25.9-174.1-68.217.5000115.9L253 I281 T282L253-N279 HydrophobicContact CD2-CB 4Å; N279-I281 VanDerWaalsContact C-N 3.28Å; N279-I281 PolarHBondContact O-N 3.28Å; N279-T282 WeakPolarHBondContact CA-OG1 2.92Å
280F96.6Very high95.2Very high11 Ų1150.6 Ų50.65%0.04829%0.291CS..THydrogen-bonded Turntrans-62.2-36.3174.7-179.5-120.4000112.2E117 I120 A121 L253 F254 F257 H278E117-F280 HydrophobicContact CB-CE2 4.2Å; I120-F280 HydrophobicContact CG2-CE1 4.35Å; I120-F280 HydrophobicContact CG2-CZ 4.34Å; A121-F280 HydrophobicContact CB-CD1 4.04Å; A121-F280 HydrophobicContact CB-CD2 4.35Å; A121-F280 HydrophobicContact CB-CE1 3.73Å; A121-F280 HydrophobicContact CB-CE2 4.05Å; A121-F280 HydrophobicContact CB-CG 4.35Å; A121-F280 HydrophobicContact CB-CZ 3.73Å; A121-F280 WeakPolarHBondContact CB-O 3.34Å; L253-F280 HydrophobicContact CB-CB 4.29Å; L253-F280 HydrophobicContact CB-CD2 4.21Å; F254-F280 HydrophobicContact CB-CD2 3.97Å; F254-F280 HydrophobicContact CB-CE2 3.51Å; F254-F280 HydrophobicContact CB-CZ 3.9Å; F254-F280 HydrophobicContact CD1-CZ 4.41Å; F254-F280 HydrophobicContact CD2-CD1 4.31Å; F254-F280 AromaticContact CD2-CE1 3.54Å; F254-F280 HydrophobicContact CD2-CE1 3.54Å; F254-F280 AromaticContact CD2-CE2 3.87Å; F254-F280 HydrophobicContact CD2-CE2 3.87Å; F254-F280 AromaticContact CD2-CZ 3.28Å; F254-F280 HydrophobicContact CD2-CZ 3.28Å; F254-F280 HydrophobicContact CE2-CE1 4Å; F254-F280 AromaticContact CE2-CZ 3.86Å; F254-F280 HydrophobicContact CE2-CZ 3.86Å; F254-F280 HydrophobicContact CG-CE1 4.31Å; F254-F280 AromaticContact CG-CE2 3.79Å; F254-F280 HydrophobicContact CG-CE2 3.79Å; F254-F280 AromaticContact CG-CZ 3.63Å; F254-F280 HydrophobicContact CG-CZ 3.63Å; F257-F280 HydrophobicContact CB-CB 3.86Å; F257-F280 HydrophobicContact CB-CD1 3.59Å; F257-F280 HydrophobicContact CB-CE1 4.41Å; F257-F280 HydrophobicContact CB-CG 3.92Å; F257-F280 AromaticContact CD1-CD1 3.78Å; F257-F280 HydrophobicContact CD1-CD1 3.78Å; F257-F280 HydrophobicContact CD1-CE1 4.04Å; F257-F280 HydrophobicContact CD2-CB 4.23Å; F257-F280 AromaticContact CD2-CD1 3.77Å; F257-F280 HydrophobicContact CD2-CD1 3.77Å; F257-F280 HydrophobicContact CD2-CG 4.47Å; F257-F280 HydrophobicContact CE1-CD1 4.41Å; F257-F280 HydrophobicContact CE2-CD1 4.39Å; F257-F280 HydrophobicContact CG-CB 4.29Å; F257-F280 AromaticContact CG-CD1 3.44Å; F257-F280 HydrophobicContact CG-CD1 3.44Å; F257-F280 VanDerWaalsContact CG-CD1 3.44Å; F257-F280 HydrophobicContact CG-CE1 4.16Å; F257-F280 HydrophobicContact CG-CG 4.21Å; H278-F280 VanDerWaalsContact CE1-CB 3.45Å; H278-F280 WeakPolarHBondContact CE1-CB 3.07Å; H278-F280 WeakPolarHBondContact ND1-CB 3.44Å; H278-F280 PolarHBondContact ND1-N 3.08Å; H278-F280 VanDerWaalsContact ND1-N 3.17Å; H278-F280 PolarHBondContact O-N 2.92Å
281I96.8Very high95.2Very high0 Ų049.6 Ų49.60%029%0.285CS..THydrogen-bonded Turntrans-110.9-6.2-172.868.4164.7000114.6A121 R125 L128 F257 M275 L276 H278 N279A121-I281 HydrophobicContact CB-CG2 4.11Å; A121-I281 WeakPolarHBondContact O-CG2 3.35Å; R125-I281 HydrophobicContact CB-CB 4.12Å; R125-I281 HydrophobicContact CB-CD1 4.2Å; R125-I281 WeakPolarHBondContact CD-O 3.46Å; R125-I281 HydrophobicContact CG-CD1 4.31Å; L128-I281 HydrophobicContact CD1-CD1 3.63Å; F257-I281 HydrophobicContact CD2-CG2 4.03Å; F257-I281 HydrophobicContact CE2-CD1 4.1Å; F257-I281 HydrophobicContact CE2-CG1 4.35Å; F257-I281 HydrophobicContact CE2-CG2 3.65Å; F257-I281 HydrophobicContact CZ-CG2 4.19Å; M275-I281 WeakPolarHBondContact O-CD1 3.44Å; L276-I281 HydrophobicContact CD2-CD1 4.26Å; H278-I281 WeakPolarHBondContact O-CG1 3.3Å; H278-I281 PolarHBondContact O-N 3.13Å; N279-I281 VanDerWaalsContact C-N 3.28Å; N279-I281 PolarHBondContact O-N 3.28Å
282T94Very high95.2Very high63 Ų6350.2 Ų50.239%0.38729%0.286SS..  trans-91.32.317654.20000114L276 H278 N279 P284L276-T282 VanDerWaalsContact O-CG2 3.22Å; L276-T282 WeakPolarHBondContact O-CG2 3.28Å; H278-T282 PolarHBondContact O-N 3.34Å; H278-T282 PolarHBondContact O-OG1 3.26Å; N279-T282 WeakPolarHBondContact CA-OG1 2.92Å; T282-P284 WeakPolarHBondContact O-CD 3.03Å
283N88.7Confident95.1Very high45 Ų4557.3 Ų57.324%0.24131%0.312CS..  trans-55.8120.8174.3171.47.8000111D118 H285 L286D118-N283 PolarHBondContact OD1-ND2 3.18Å; N283-H285 PolarHBondContact O-N 2.84Å; N283-H285 VanDerWaalsContact O-N 3.14Å; N283-H285 PolarHBondContact OD1-CD2 3.13Å; N283-H285 VanDerWaalsContact OD1-CD2 3.32Å; N283-H285 PolarHBondContact OD1-N 3.02Å; N283-H285 VanDerWaalsContact OD1-N 3.1Å; N283-L286 HydrophobicContact CB-CD1 3.85Å; N283-L286 HydrophobicContact CB-CG 3.84Å; N283-L286 WeakPolarHBondContact O-CB 3.39Å; N283-L286 VanDerWaalsContact O-CG 3.3Å; N283-L286 WeakPolarHBondContact O-CG 3.19Å; N283-L286 PolarHBondContact O-N 3.32Å; N283-L286 VanDerWaalsContact O-N 3.14Å
284P87Confident94.9Very high120 Ų12056.1 Ų56.178%0.77930%0.299SS*.THydrogen-bonded Turntrans-60.4-21.8-177.3-27.136.2000115.8T282 L286T282-P284 WeakPolarHBondContact O-CD 3.03Å; P284-L286 PolarHBondContact O-N 3.21Å
285H90.3Very high94.7Very high150 Ų15052.9 Ų52.969%0.69428%0.279SS*.THydrogen-bonded Turntrans-74.1-14.8179-61.5-68.1000113.3N283 S287N283-H285 PolarHBondContact O-N 2.84Å; N283-H285 VanDerWaalsContact O-N 3.14Å; N283-H285 PolarHBondContact OD1-CD2 3.13Å; N283-H285 VanDerWaalsContact OD1-CD2 3.32Å; N283-H285 PolarHBondContact OD1-N 3.02Å; N283-H285 VanDerWaalsContact OD1-N 3.1Å; H285-S287 PolarHBondContact O-N 3.38Å; H285-S287 VanDerWaalsContact O-N 3.12Å; H285-S287 PolarHBondContact O-OG 2.68Å
286L94.1Very high94.4Very high4 Ų455.6 Ų55.62%0.02130%0.298CS..  trans-70.8104.6-177.5-61.2-180000111.7D118 A121 F122 R125 N283 P284 L290D118-L286 HydrophobicContact CB-CD2 3.62Å; D118-L286 VanDerWaalsContact O-CD2 3.3Å; D118-L286 WeakPolarHBondContact O-CD2 3.27Å; D118-L286 WeakPolarHBondContact OD1-CD2 3.27Å; A121-L286 HydrophobicContact CB-CD1 3.64Å; A121-L286 HydrophobicContact CB-CD2 4.08Å; F122-L286 HydrophobicContact CB-CB 4.29Å; F122-L286 HydrophobicContact CB-CD2 4.49Å; F122-L286 HydrophobicContact CD2-CB 4.39Å; R125-L286 PolarHBondContact NH1-O 2.79Å; R125-L286 PolarHBondContact NH2-O 3.27Å; N283-L286 HydrophobicContact CB-CD1 3.85Å; N283-L286 HydrophobicContact CB-CG 3.84Å; N283-L286 WeakPolarHBondContact O-CB 3.39Å; N283-L286 VanDerWaalsContact O-CG 3.3Å; N283-L286 WeakPolarHBondContact O-CG 3.19Å; N283-L286 PolarHBondContact O-N 3.32Å; N283-L286 VanDerWaalsContact O-N 3.14Å; P284-L286 PolarHBondContact O-N 3.21Å; L286-L290 HydrophobicContact CD2-CD1 3.85Å
287S95.5Very high94Very high50 Ų5057.2 Ų57.235%0.3530%0.302SS..  trans-143.4165.3-17258.90000112.2H285 L289 L290H285-S287 PolarHBondContact O-N 3.38Å; H285-S287 VanDerWaalsContact O-N 3.12Å; H285-S287 PolarHBondContact O-OG 2.68Å; S287-L289 PolarHBondContact O-N 2.96Å; S287-L290 WeakPolarHBondContact O-CB 3Å; S287-L290 PolarHBondContact O-N 3.27Å
288T95.9Very high93.6Very high32 Ų3253.7 Ų53.720%0.19628%0.277CS..THydrogen-bonded Turntrans-55.5-17.7179-33.30000113.6F122 D154 G155 L290 T291 Q292F122-T288 HydrophobicContact CZ-CG2 4.48Å; D154-T288 WeakPolarHBondContact O-CG2 3.34Å; G155-T288 VanDerWaalsContact C-CG2 3.47Å; G155-T288 WeakPolarHBondContact O-CG2 3.33Å; T288-L290 PolarHBondContact O-N 3.06Å; T288-T291 PolarHBondContact O-N 2.84Å; T288-T291 PolarHBondContact O-OG1 2.91Å; T288-Q292 HydrophobicContact CG2-CG 4.42Å; T288-Q292 WeakPolarHBondContact O-CB 3.45Å; T288-Q292 WeakPolarHBondContact O-CG 3.33Å; T288-Q292 PolarHBondContact O-N 2.94Å
289L95.6Very high93.2Very high84 Ų8457.1 Ų57.144%0.4429%0.289SS..Hα-helixtrans-56.7-30.2172.3-176.459.5000112.6S287 R293S287-L289 PolarHBondContact O-N 2.96Å; L289-R293 HydrophobicContact CD1-CG 4.44Å; L289-R293 WeakPolarHBondContact O-CB 3.35Å; L289-R293 WeakPolarHBondContact O-CG 3.46Å; L289-R293 PolarHBondContact O-N 2.82Å
290L96.3Very high92.7Very high18 Ų1856.8 Ų56.89%0.09428%0.284CS..Hα-helixtrans-67.8-49.6178.7-66.8160.9000111.6D118 C119 F122 L286 S287 T288 R293 L294D118-L290 HydrophobicContact CB-CD1 3.98Å; D118-L290 HydrophobicContact CB-CD2 3.9Å; C119-L290 HydrophobicContact CB-CB 4.45Å; F122-L290 HydrophobicContact CB-CD1 3.82Å; F122-L290 HydrophobicContact CG-CD1 4.33Å; L286-L290 HydrophobicContact CD2-CD1 3.85Å; S287-L290 WeakPolarHBondContact O-CB 3Å; S287-L290 PolarHBondContact O-N 3.27Å; T288-L290 PolarHBondContact O-N 3.06Å; L290-R293 PolarHBondContact O-N 2.94Å; L290-L294 PolarHBondContact O-N 2.83Å
291T96.4Very high91.9Very high0 Ų058.9 Ų58.90%030%0.296CS..Hα-helixtrans-69.8-33.5175.140.30000112.2F122 V123 L151 G155 V157 T288 L294 L295F122-T291 HydrophobicContact CD1-CG2 3.85Å; F122-T291 HydrophobicContact CE1-CG2 3.78Å; F122-T291 WeakPolarHBondContact CE1-OG1 3.47Å; V123-T291 HydrophobicContact CG2-CG2 3.79Å; L151-T291 HydrophobicContact CD1-CG2 3.92Å; L151-T291 HydrophobicContact CD2-CG2 3.77Å; G155-T291 VanDerWaalsContact O-CB 3.27Å; G155-T291 WeakPolarHBondContact O-CB 3.29Å; G155-T291 PolarHBondContact O-OG1 3.34Å; V157-T291 HydrophobicContact CG2-CG2 4.11Å; T288-T291 PolarHBondContact O-N 2.84Å; T288-T291 PolarHBondContact O-OG1 2.91Å; T291-L294 PolarHBondContact O-N 2.88Å; T291-L295 WeakPolarHBondContact O-CB 3.36Å; T291-L295 WeakPolarHBondContact O-CG 3.44Å; T291-L295 PolarHBondContact O-N 2.77Å
292Q95.8Very high91Very high79 Ų7961.2 Ų61.237%0.36931%0.306SS..Hα-helixtrans-63.5-41.8171.5-73169-1.200112.4D154 T288 L295 C296D154-Q292 WeakPolarHBondContact O-CG 3.06Å; D154-Q292 PolarHBondContact O-NE2 3.16Å; T288-Q292 HydrophobicContact CG2-CG 4.42Å; T288-Q292 WeakPolarHBondContact O-CB 3.45Å; T288-Q292 WeakPolarHBondContact O-CG 3.33Å; T288-Q292 PolarHBondContact O-N 2.94Å; Q292-L295 PolarHBondContact O-N 3.11Å; Q292-C296 VanDerWaalsContact O-CB 3.25Å; Q292-C296 WeakPolarHBondContact O-CB 3.41Å; Q292-C296 PolarHBondContact O-N 3.45Å
293R93.8Very high90.2Very high149 Ų14960.9 Ų60.956%0.56231%0.307SS*.Hα-helixtrans-60.9-44.8172.5-77.8168.7179.2-175.61.2111.3L289 L290 C296 Y297L289-R293 HydrophobicContact CD1-CG 4.44Å; L289-R293 WeakPolarHBondContact O-CB 3.35Å; L289-R293 WeakPolarHBondContact O-CG 3.46Å; L289-R293 PolarHBondContact O-N 2.82Å; L290-R293 PolarHBondContact O-N 2.94Å; R293-C296 WeakPolarHBondContact O-CB 3.4Å; R293-C296 PolarHBondContact O-N 2.7Å; R293-Y297 WeakPolarHBondContact O-CB 3.47Å; R293-Y297 PolarHBondContact O-N 3.42Å
294L92.7Very high89.3Confident22 Ų2262 Ų6212%0.11532%0.318CS..Hα-helixtrans-62.1-44.3177.6-176.961.5000112.2M104 I107 L115 L290 T291 R298M104-L294 HydrophobicContact CE-CD2 3.91Å; I107-L294 HydrophobicContact CG2-CD1 3.88Å; I107-L294 HydrophobicContact CG2-CD2 3.71Å; I107-L294 HydrophobicContact CG2-CG 3.62Å; L115-L294 HydrophobicContact CD1-CD2 4.26Å; L115-L294 HydrophobicContact CD2-CD1 3.81Å; L115-L294 HydrophobicContact CD2-CD2 3.89Å; L290-L294 PolarHBondContact O-N 2.83Å; T291-L294 PolarHBondContact O-N 2.88Å; L294-R298 WeakPolarHBondContact O-CB 3.37Å; L294-R298 PolarHBondContact O-N 3.05Å
295L93.5Very high88.3Confident4 Ų457.5 Ų57.52%0.02129%0.291CS..Hα-helixtrans-65.3-38173.3-72174.8000112.4I107 L151 T152 T291 Q292 R298 R299I107-L295 HydrophobicContact CD1-CD2 4.08Å; L151-L295 HydrophobicContact CB-CD1 4.3Å; L151-L295 HydrophobicContact CD1-CD1 4.09Å; L151-L295 HydrophobicContact CD1-CD2 4.03Å; L151-L295 HydrophobicContact CD1-CG 3.9Å; T152-L295 WeakPolarHBondContact O-CD1 3.34Å; T291-L295 WeakPolarHBondContact O-CB 3.36Å; T291-L295 WeakPolarHBondContact O-CG 3.44Å; T291-L295 PolarHBondContact O-N 2.77Å; Q292-L295 PolarHBondContact O-N 3.11Å; L295-R298 PolarHBondContact O-N 2.99Å; L295-R299 WeakPolarHBondContact O-CB 3.29Å; L295-R299 WeakPolarHBondContact O-CG 3.35Å; L295-R299 PolarHBondContact O-N 2.93Å
296C92Very high86.8Confident60 Ų6056.3 Ų56.341%0.40528%0.284SS..Hα-helixtrans-63.6-49.4175.7-171.40000111.2Q292 R293 R298 R299 Q300Q292-C296 VanDerWaalsContact O-CB 3.25Å; Q292-C296 WeakPolarHBondContact O-CB 3.41Å; Q292-C296 PolarHBondContact O-N 3.45Å; R293-C296 WeakPolarHBondContact O-CB 3.4Å; R293-C296 PolarHBondContact O-N 2.7Å; C296-R298 VanDerWaalsContact C-N 3.32Å; C296-R298 PolarHBondContact O-N 3.14Å; C296-R299 PolarHBondContact O-N 3.32Å; C296-R299 VanDerWaalsContact O-N 3.16Å; C296-Q300 VanDerWaalsContact O-CG 3.3Å; C296-Q300 WeakPolarHBondContact O-CG 3.45Å; C296-Q300 PolarHBondContact O-N 3.03Å
297Y89.3Confident84.5Confident72 Ų7261 Ų6128%0.28231%0.309SS..Hα-helixtrans-58.3-42.5175.2177.4-112.2000111.9T111 R113 R293 Q300 L301T111-Y297 HydrophobicContact CG2-CD1 3.85Å; T111-Y297 HydrophobicContact CG2-CE1 3.97Å; R113-Y297 PolarHBondContact NH1-OH 3.31Å; R293-Y297 WeakPolarHBondContact O-CB 3.47Å; R293-Y297 PolarHBondContact O-N 3.42Å; Y297-Q300 WeakPolarHBondContact O-CB 3.28Å; Y297-Q300 PolarHBondContact O-N 3.2Å; Y297-L301 HydrophobicContact CD1-CD1 4.24Å; Y297-L301 HydrophobicContact CE1-CD1 3.71Å; Y297-L301 HydrophobicContact CE2-CD1 4.46Å; Y297-L301 HydrophobicContact CE2-CG 4.45Å; Y297-L301 WeakPolarHBondContact O-CG 3.11Å; Y297-L301 PolarHBondContact O-N 3.09Å
298R89.1Confident82Confident22 Ų2262.9 Ų62.98%0.08332%0.318CS..Hα-helixtrans-61-49173-173.6-170154.2143.81.8112.1Y110 T111 L294 L295 C296 Q300 L301 E302Y110-R298 HydrophobicContact CD1-CG 3.81Å; Y110-R298 HydrophobicContact CE1-CG 4.35Å; Y110-R298 HydrophobicContact CG-CG 4.47Å; T111-R298 HydrophobicContact CG2-CB 4.26Å; L294-R298 WeakPolarHBondContact O-CB 3.37Å; L294-R298 PolarHBondContact O-N 3.05Å; L295-R298 PolarHBondContact O-N 2.99Å; C296-R298 VanDerWaalsContact C-N 3.32Å; C296-R298 PolarHBondContact O-N 3.14Å; R298-Q300 VanDerWaalsContact C-N 3.27Å; R298-Q300 PolarHBondContact O-N 2.91Å; R298-L301 PolarHBondContact O-N 2.84Å; R298-L301 VanDerWaalsContact O-N 3.15Å; R298-E302 IonicContact CZ-OE1 3.88Å; R298-E302 VanDerWaalsContact CZ-OE1 3.25Å; R298-E302 IonicContact NE-OE1 3.75Å; R298-E302 PolarHBondContact NE-OE1 2.93Å; R298-E302 IonicContact NH2-OE1 2.69Å; R298-E302 PolarHBondContact NH2-OE1 3Å; R298-E302 PolarHBondContact O-N 3.48Å
299R88.6Confident79.4Confident101 Ų10164.9 Ų64.938%0.38132%0.323SS..Hα-helixtrans-61.6-33.1178.1-72.6166.4179151.9-1.9112D153 L295 C296 S303D153-R299 PolarHBondContact O-NH1 3.1Å; D153-R299 PolarHBondContact O-NH2 3.33Å; D153-R299 IonicContact OD1-CZ 3.95Å; D153-R299 IonicContact OD1-NH2 2.78Å; D153-R299 PolarHBondContact OD1-NH2 2.84Å; L295-R299 WeakPolarHBondContact O-CB 3.29Å; L295-R299 WeakPolarHBondContact O-CG 3.35Å; L295-R299 PolarHBondContact O-N 2.93Å; C296-R299 PolarHBondContact O-N 3.32Å; C296-R299 VanDerWaalsContact O-N 3.16Å; R299-S303 VanDerWaalsContact O-CB 3.31Å; R299-S303 WeakPolarHBondContact O-CB 3.46Å; R299-S303 PolarHBondContact O-N 3.49Å; R299-S303 PolarHBondContact O-OG 2.87Å
300Q84.2Confident76.7Confident107 Ų10764.8 Ų64.850%0.533%0.329SS..Hα-helixtrans-66.3-44.3172.5-72.6168.7-0.700112.1C296 Y297 R298 S303 S304C296-Q300 VanDerWaalsContact O-CG 3.3Å; C296-Q300 WeakPolarHBondContact O-CG 3.45Å; C296-Q300 PolarHBondContact O-N 3.03Å; Y297-Q300 WeakPolarHBondContact O-CB 3.28Å; Y297-Q300 PolarHBondContact O-N 3.2Å; R298-Q300 VanDerWaalsContact C-N 3.27Å; R298-Q300 PolarHBondContact O-N 2.91Å; Q300-S303 PolarHBondContact O-N 2.92Å; Q300-S304 WeakPolarHBondContact O-CB 3.3Å; Q300-S304 PolarHBondContact O-N 2.86Å; Q300-S304 PolarHBondContact O-OG 2.83Å
301L80.4Confident74Confident55 Ų5571.6 Ų71.629%0.28836%0.36SS..Hα-helixtrans-62.8-45.8174.4-69.5174.9000111.4Y110 T111 Y297 R298 S303 S304 A305Y110-L301 HydrophobicContact CE1-CB 3.87Å; T111-L301 HydrophobicContact CG2-CD1 4.3Å; Y297-L301 HydrophobicContact CD1-CD1 4.24Å; Y297-L301 HydrophobicContact CE1-CD1 3.71Å; Y297-L301 HydrophobicContact CE2-CD1 4.46Å; Y297-L301 HydrophobicContact CE2-CG 4.45Å; Y297-L301 WeakPolarHBondContact O-CG 3.11Å; Y297-L301 PolarHBondContact O-N 3.09Å; R298-L301 PolarHBondContact O-N 2.84Å; R298-L301 VanDerWaalsContact O-N 3.15Å; L301-S303 VanDerWaalsContact C-N 3.31Å; L301-S303 PolarHBondContact O-N 3.24Å; L301-S304 PolarHBondContact O-N 2.9Å; L301-A305 VanDerWaalsContact O-CB 3.28Å; L301-A305 WeakPolarHBondContact O-CB 3.42Å; L301-A305 PolarHBondContact O-N 3.34Å
302E78.9Confident71Confident48 Ų4875.7 Ų75.722%0.22440%0.402CS..Hα-helixtrans-59.8-38.7174.8-74.8-176.2-16200112.8Y110 R298 A305 K306Y110-E302 HydrophobicContact CE1-CG 3.73Å; Y110-E302 HydrophobicContact CE2-CG 4.31Å; Y110-E302 WeakPolarHBondContact OH-CA 3.49Å; Y110-E302 WeakPolarHBondContact OH-CG 3.35Å; R298-E302 IonicContact CZ-OE1 3.88Å; R298-E302 VanDerWaalsContact CZ-OE1 3.25Å; R298-E302 IonicContact NE-OE1 3.75Å; R298-E302 PolarHBondContact NE-OE1 2.93Å; R298-E302 IonicContact NH2-OE1 2.69Å; R298-E302 PolarHBondContact NH2-OE1 3Å; R298-E302 PolarHBondContact O-N 3.48Å; E302-A305 CarbonylContact O-C 3.54Å; E302-K306 WeakPolarHBondContact O-CD 3.41Å; E302-K306 WeakPolarHBondContact O-CG 3.34Å; E302-K306 PolarHBondContact O-N 2.83Å; E302-K306 IonicContact OE2-NZ 3.93Å
303S76Confident67.9Low56 Ų5679.1 Ų79.139%0.39242%0.423SS..Hα-helixtrans-73.2-38.4178.9-57.30000111.8R299 Q300 L301 A305 K306 N307R299-S303 VanDerWaalsContact O-CB 3.31Å; R299-S303 WeakPolarHBondContact O-CB 3.46Å; R299-S303 PolarHBondContact O-N 3.49Å; R299-S303 PolarHBondContact O-OG 2.87Å; Q300-S303 PolarHBondContact O-N 2.92Å; L301-S303 VanDerWaalsContact C-N 3.31Å; L301-S303 PolarHBondContact O-N 3.24Å; S303-A305 VanDerWaalsContact C-N 3.32Å; S303-A305 PolarHBondContact O-N 2.78Å; S303-K306 PolarHBondContact O-N 3.27Å; S303-N307 PolarHBondContact O-N 2.76Å; S303-N307 PolarHBondContact O-OD1 3.38Å
304S70.5Confident65.1Low70 Ų7077.7 Ų77.749%0.4943%0.431SS..Hα-helixtrans-61.6-43.9172.4-55.80000110.7Q300 L301 K306 N307 T308Q300-S304 WeakPolarHBondContact O-CB 3.3Å; Q300-S304 PolarHBondContact O-N 2.86Å; Q300-S304 PolarHBondContact O-OG 2.83Å; L301-S304 PolarHBondContact O-N 2.9Å; S304-K306 PolarHBondContact O-N 2.91Å; S304-K306 VanDerWaalsContact O-N 3.16Å; S304-N307 PolarHBondContact O-N 3.34Å; S304-T308 PolarHBondContact O-N 2.85Å; S304-T308 VanDerWaalsContact O-N 3.13Å; S304-T308 PolarHBondContact O-OG1 2.91Å
305A65.7Low62.1Low25 Ų2580.5 Ų80.521%0.20747%0.466CS..Hα-helixtrans-69.6-1.1174.300000114.6L301 E302 S303 Y309 F773L301-A305 VanDerWaalsContact O-CB 3.28Å; L301-A305 WeakPolarHBondContact O-CB 3.42Å; L301-A305 PolarHBondContact O-N 3.34Å; E302-A305 CarbonylContact O-C 3.54Å; S303-A305 VanDerWaalsContact C-N 3.32Å; S303-A305 PolarHBondContact O-N 2.78Å; A305-Y309 WeakPolarHBondContact O-CD2 3.4Å; A305-Y309 WeakPolarHBondContact O-CE2 3.33Å; A305-F773 HydrophobicContact CB-CE2 4.22Å; A305-F773 HydrophobicContact CB-CZ 4.28Å
306K58.3Low59.3Low124 Ų12486.7 Ų86.754%0.53950%0.503SS..Hα-helixtrans-107.6-45.3168.1-72.4161.8-174.9161.30111.4E302 S303 S304 T308 Y309E302-K306 WeakPolarHBondContact O-CD 3.41Å; E302-K306 WeakPolarHBondContact O-CG 3.34Å; E302-K306 PolarHBondContact O-N 2.83Å; E302-K306 IonicContact OE2-NZ 3.93Å; S303-K306 PolarHBondContact O-N 3.27Å; S304-K306 PolarHBondContact O-N 2.91Å; S304-K306 VanDerWaalsContact O-N 3.16Å; K306-T308 PolarHBondContact O-N 2.83Å; K306-Y309 WeakPolarHBondContact O-CA 3.23Å; K306-Y309 VanDerWaalsContact O-CB 3.25Å; K306-Y309 WeakPolarHBondContact O-CB 3.24Å; K306-Y309 PolarHBondContact O-N 3.02Å
307N46.9Very low56.5Low102 Ų10289.2 Ų89.255%0.54552%0.522SS..Hα-helixtrans-65.9-23.8-178.5-717.9000113.3S303 S304 Y309 S310S303-N307 PolarHBondContact O-N 2.76Å; S303-N307 PolarHBondContact O-OD1 3.38Å; S304-N307 PolarHBondContact O-N 3.34Å; N307-Y309 PolarHBondContact O-N 3.16Å; N307-Y309 VanDerWaalsContact O-N 3.13Å; N307-S310 PolarHBondContact O-N 2.61Å
308T43.1Very low53.7Low90 Ų9093.6 Ų93.655%0.55255%0.549SS*.THydrogen-bonded Turntrans-67.6-6.7171.1-27.90000112.7S304 K306 H770S304-T308 PolarHBondContact O-N 2.85Å; S304-T308 VanDerWaalsContact O-N 3.13Å; S304-T308 PolarHBondContact O-OG1 2.91Å; K306-T308 PolarHBondContact O-N 2.83Å; T308-H770 PolarHBondContact O-CE1 2.8Å; T308-H770 PolarHBondContact O-NE2 3Å
309Y39.5Very low51.1Low74 Ų7497.2 Ų97.229%0.2958%0.577SS.*THydrogen-bonded Turntrans-113.6-3.3-172.6-60.8-125.4000112A305 K306 N307 H770 F773A305-Y309 WeakPolarHBondContact O-CD2 3.4Å; A305-Y309 WeakPolarHBondContact O-CE2 3.33Å; K306-Y309 WeakPolarHBondContact O-CA 3.23Å; K306-Y309 VanDerWaalsContact O-CB 3.25Å; K306-Y309 WeakPolarHBondContact O-CB 3.24Å; K306-Y309 PolarHBondContact O-N 3.02Å; N307-Y309 PolarHBondContact O-N 3.16Å; N307-Y309 VanDerWaalsContact O-N 3.13Å; Y309-H770 HydrophobicContact CD1-CB 3.89Å; Y309-H770 AromaticContact CD1-CG 3.77Å; Y309-H770 AromaticContact CD1-ND1 3.84Å; Y309-H770 AromaticContact CD2-ND1 3.61Å; Y309-H770 HydrophobicContact CE1-CB 3.26Å; Y309-H770 AromaticContact CE1-CG 3.51Å; Y309-H770 AromaticContact CE1-ND1 3.54Å; Y309-H770 HydrophobicContact CE2-CB 4.49Å; Y309-H770 AromaticContact CE2-ND1 3.21Å; Y309-H770 WeakPolarHBondContact CE2-ND1 3.5Å; Y309-H770 AromaticContact CG-ND1 3.84Å; Y309-H770 AromaticContact CZ-CG 3.58Å; Y309-H770 AromaticContact CZ-ND1 3.12Å; Y309-H770 PolarHBondContact OH-ND1 3.01Å; Y309-F773 AromaticContact CE1-CD2 3.85Å; Y309-F773 HydrophobicContact CE1-CD2 3.85Å; Y309-F773 HydrophobicContact CE1-CE2 4.43Å; Y309-F773 HydrophobicContact CE2-CD2 4.43Å; Y309-F773 HydrophobicContact CE2-CE2 4.22Å; Y309-F773 AromaticContact CZ-CD2 3.46Å; Y309-F773 VanDerWaalsContact CZ-CD2 3.46Å; Y309-F773 AromaticContact CZ-CE2 3.67Å; Y309-F773 WeakPolarHBondContact OH-CD2 3.37Å; Y309-F773 WeakPolarHBondContact OH-CE2 3.21Å; Y309-F773 VanDerWaalsContact OH-CG 3.23Å; Y309-F773 WeakPolarHBondContact OH-CG 3.47Å
310S39.2Very low48.6Very low82 Ų8297.6 Ų97.657%0.57359%0.587SS**SBendtrans-126.96.9-168.4660000115N307N307-S310 PolarHBondContact O-N 2.61Å
311H39.1Very low46.2Very low162 Ų162100.8 Ų100.875%0.7560%0.599SS**SBendtrans-129.515.5-173.8-116.5-53.7000114.4
312G34Very low44.2Very low85 Ų85106.7 Ų106.788%0.87662%0.623SS**SBendtrans-86.4-9.1-175.600000116
313D30.9Very low42.1Very low151 Ų151111.6 Ų111.681%0.80765%0.65SS**  trans-132.287.1-160.8-164.41.9000112.7
314T35.3Very low40.3Very low120 Ų120114.7 Ų114.774%0.73667%0.669SS**  trans-15387162.928.60000109.4V316T314-V316 PolarHBondContact O-N 3.08Å
315G29.6Very low38.9Very low81 Ų81117.4 Ų117.484%0.83569%0.685SS**  trans-68.4108.5174.300000112.1
316V34.2Very low37.3Very low134 Ų134122.4 Ų122.481%0.81272%0.719SS**  trans-99.9101.8175.5-178.30000110.1T314T314-V316 PolarHBondContact O-N 3.08Å
317S34.4Very low36.2Very low113 Ų113120.6 Ų120.679%0.7974%0.735SS**  trans-69.6156.8172.8-83.30000112.8
318L29.1Very low35.5Very low164 Ų164119.4 Ų119.486%0.85975%0.747SS**  trans-74138.3-175.6-56.385000112
319S34.5Very low35Very low97 Ų97122.8 Ų122.868%0.67876%0.761SS**  157.7160.293.967.70000115.9
320N36.1Very low34.7Very low109 Ų109128.3 Ų128.358%0.58379%0.787SS**  trans68.5113.1151.8-73.1-65000121.9
321K34.9Very low34.6Very low174 Ų174131 Ų13176%0.75779%0.794SS**  64.4123.9124.8-67.4165.5-175146.30117.8
322K37Very low34.3Very low179 Ų179128.2 Ų128.278%0.77879%0.793SS**  cis-166.2147.735.7-108.8154.1177.1-1770112.5
323N36Very low34.5Very low151 Ų151129.8 Ų129.881%0.80779%0.788SS**  trans29.2130.1149.1-5616.8000122.3
324P38.9Very low34.6Very low122 Ų122129.3 Ų129.379%0.79279%0.785SS**  trans-100175.5168.841-35.5000113.8
325P39.2Very low34.6Very low127 Ų127131.1 Ų131.183%0.82579%0.79SS**  trans-116.117315238-28.2000113.2
326S33.4Very low34.8Very low130 Ų130135.6 Ų135.691%0.90979%0.789SS**  trans-107.8158.9-165.5-41.30000115.1
327G34.1Very low34.7Very low86 Ų86138.2 Ų138.289%0.88779%0.792SS**  trans116.8131146.200000117.5
328G33.2Very low34.7Very low76 Ų76137.8 Ų137.878%0.78479%0.787SS**  trans150.196.6168.700000114.5
329N31.8Very low34.8Very low161 Ų161136 Ų13686%0.86179%0.785SS**  trans-95.9139.9171.6-75-14.5000111.1
330F34.3Very low34.7Very low190 Ų190136.8 Ų136.883%0.83379%0.786SS**  trans-164.797.5147.9-125-94.5000107.5
331I35.6Very low34.2Very low139 Ų139137 Ų13771%0.71380%0.795SS**  76118.193.3-68.5166.5000113.5
332S33Very low34Very low103 Ų103138.3 Ų138.372%0.7280%0.797SS**  trans-86.3-176.9175.9-480000112.4
333P38.5Very low33.7Very low119 Ų119135.9 Ų135.977%0.77380%0.799SS**  -144.5148.3101.838.1-24.1000117
334D32.6Very low33.4Very low140 Ų140133 Ų13375%0.74980%0.797SS**  trans6.4140.6148.7-46.2-39.5000121.9
335N35.2Very low33Very low158 Ų158134.2 Ų134.285%0.84579%0.794SS**  -157152.2116-108.2-66.2000113.8
336H35.8Very low32.5Very low176 Ų176134.5 Ų134.582%0.81580%0.795SS**  trans-65.1143-166.7-65.2-100.7000117.1
337E31.4Very low32.3Very low189 Ų189132.1 Ų132.188%0.88378%0.784SS**  -160.4154.3113.8-105.7-166.9151.600111.4
338P33.5Very low32.1Very low104 Ų104133.7 Ų133.768%0.67578%0.781SS**  trans-93159-170.636.5-35.4000114.6
339P31.5Very low31.8Very low125 Ų125136.7 Ų136.781%0.81278%0.784SS**  trans-77.1132.2179.231.1-34.7000112.9S341P339-S341 PolarHBondContact O-N 2.64Å
340V31.8Very low31.7Very low115 Ų115140 Ų14070%0.69778%0.784SS**  trans-79.3108.4174.11800000110.5Y342V340-Y342 HydrophobicContact CG1-CD2 4.38Å; V340-Y342 HydrophobicContact CG1-CE2 3.91Å
341S26.8Very low31.4Very low112 Ų112139.9 Ų139.978%0.78379%0.786SS**PPolyproline II helixtrans-80.7124.1172.2580000111.8P339P339-S341 PolarHBondContact O-N 2.64Å
342Y30.4Very low31Very low203 Ų203141 Ų14180%0.79679%0.794SS**PPolyproline II helixtrans-94.3137.2169.6-71.9-87.5000111.1V340V340-Y342 HydrophobicContact CG1-CD2 4.38Å; V340-Y342 HydrophobicContact CG1-CE2 3.91Å
343P31.4Very low30.8Very low127 Ų127145.1 Ų145.183%0.82580%0.802SS**PPolyproline II helixtrans-74.9154.8177.931.9-35.5000112.1
344A29.2Very low30.2Very low92 Ų92149 Ų14976%0.7681%0.807SS**  trans-109123.7-170.500000114.4
345M30.3Very low29.9Very low147 Ų147152.3 Ų152.372%0.72482%0.815SS**  trans65.3158155.3-55.1-58.7-77.600117.2A347M345-A347 HydrophobicContact CE-CB 3.75Å
346P28.4Very low29.6Very low132 Ų132154 Ų15486%0.85782%0.815SS**  -109.6165.284.2-11.330.3000114.3
347A29.2Very low29.1Very low81 Ų81150.5 Ų150.567%0.66981%0.81SS**  trans-123.9124-166.900000115.1M345M345-A347 HydrophobicContact CE-CB 3.75Å
348S29.5Very low28.8Very low119 Ų119147.8 Ų147.883%0.83280%0.801SS**  trans-160.2139.9152.355.50000106.8
349V28.5Very low28.5Very low139 Ų139153.1 Ų153.184%0.84281%0.808SS**  cis-127.1151.211.8179.60000109.7
350R28.2Very low28.1Very low230 Ų230153.1 Ų153.187%0.86881%0.805SS**  trans-76.8168.6175.9-68.6177.7173.5147.5-4.2110.4
351Q28.7Very low27.8Very low187 Ų187154.4 Ų154.487%0.87481%0.808SS**  cis-148.8138.231.1-62.2159.3-86.800112.2
352D26.4Very low27.9Very low164 Ų164156.6 Ų156.688%0.87781%0.811SS**  trans-99.4125.9149.8-76-63.8000107.6
353E29.1Very low27.5Very low188 Ų188154.6 Ų154.688%0.87981%0.813SS**  trans-169.9105.5150-83.1-143.7145.200109.6
354F26Very low27.3Very low201 Ų201154 Ų15488%0.88281%0.809SS**  trans-172.382.9136.8-128.6-101.3000112.6
355F26.3Very low27.1Very low210 Ų210155.9 Ų155.992%0.92181%0.811SS**  trans-150.687.8165-106.3-68.8000110.1
356K28.5Very low26.7Very low192 Ų192153.1 Ų153.184%0.83581%0.807SS**  trans177.6122.6155.6-102152.1-174.4176.20112.5
357S25.4Very low26.5Very low104 Ų104155.9 Ų155.973%0.72781%0.807SS**  trans68150.6137.976.80000118.7
358L25.3Very low26.1Very low131 Ų131162.6 Ų162.669%0.68682%0.815SS**  cis-142157.61.2-91.7110.1000111
359R26.6Very low25.9Very low216 Ų216164.5 Ų164.582%0.81582%0.815SS**  trans28.2116.9139.1-63.9-179.4-172.9158.40.9119.1
360V24.3Very low25.7Very low125 Ų125164.7 Ų164.776%0.75881%0.811SS**  88.9136.271.1159.90000112.9
361N25.2Very low25.6Very low143 Ų143158.3 Ų158.377%0.76581%0.807SS**  trans74.7141.8-169.8-55.8-8.9000113.4
362D28.5Very low25.3Very low158 Ų158158 Ų15885%0.84581%0.811SS**  cis-124.1161.49.1-75.2-61.9000114
363L22.5Very low25.2Very low160 Ų160152.6 Ų152.684%0.83880%0.795SS**  trans-110.2150.5166-110.1165.1000108.3
364P26.4Very low24.9Very low114 Ų114149.1 Ų149.174%0.7479%0.789SS**  -152.9140.7105.635-16.3000117.9
365V25.4Very low24.8Very low132 Ų132144.5 Ų144.580%0.878%0.777SS**  trans72.4134.9134.2179.10000120.5
366S22.1Very low24.8Very low90 Ų90141 Ų14163%0.62976%0.763SS**  trans-67.6160.6-178.957.60000116.9
367H24.4Very low24.6Very low189 Ų189135 Ų13588%0.87574%0.737SS**  -134.7133.4126.9-93-76.8000110.9
368R21.1Very low24.7Very low222 Ų222132.9 Ų132.984%0.83872%0.72SS**  trans-76.8140.6167.7-71.9-179.4174.8175.9-3.9109.7
369I25.5Very low24.9Very low160 Ų160127.4 Ų127.482%0.82169%0.692SS**  trans-137.9124.2154.4-60.3-177.3000107.1
370D22.8Very low25Very low143 Ų143118 Ų11877%0.76566%0.66SS**  trans-80138.9-177.3-54.2-70.8000111.9
371A26.3Very low25.5Very low95 Ų95115.2 Ų115.279%0.78564%0.638SS**  trans-147.964.417800000111.9G373A371-G373 PolarHBondContact O-N 2.72Å
372N23Very low25.7Very low180 Ų180109.9 Ų109.996%0.96361%0.609SS**  trans-67.3101.9172.1-85.2-30.2000110.8
373G24.7Very low25.6Very low52 Ų52103.3 Ų103.354%0.53657%0.574SS.*  trans-155.1138174.200000111.9A371 V375A371-G373 PolarHBondContact O-N 2.72Å; G373-V375 PolarHBondContact O-N 3.36Å; G373-V375 VanDerWaalsContact O-N 3.09Å
374P23.4Very low25.7Very low115 Ų115100.4 Ų100.475%0.74756%0.558SS**  trans-74102.7-179.629.8-33.5000110.6H376P374-H376 PolarHBondContact O-CD2 3.11Å; P374-H376 PolarHBondContact O-N 3.37Å
375V24.1Very low25.6Very low103 Ų10398 Ų9862%0.62454%0.538SS*.  trans-66122.6169.9178.90000108.9G373 F377G373-V375 PolarHBondContact O-N 3.36Å; G373-V375 VanDerWaalsContact O-N 3.09Å; V375-F377 HydrophobicContact CB-CD2 4.41Å; V375-F377 HydrophobicContact CB-CE2 3.79Å; V375-F377 HydrophobicContact CB-CZ 4.29Å; V375-F377 HydrophobicContact CG1-CD2 4.28Å; V375-F377 HydrophobicContact CG1-CE2 3.87Å; V375-F377 HydrophobicContact CG1-CZ 4.09Å; V375-F377 WeakPolarHBondContact O-CD2 3.38Å; V375-F377 WeakPolarHBondContact O-CE2 3.3Å; V375-F377 PolarHBondContact O-N 3.03Å
376H24.4Very low25.5Very low136 Ų13696.3 Ų96.363%0.6352%0.522SS*.  trans-77.8105.9174.2-80.1-127.1000109.3P374 E386P374-H376 PolarHBondContact O-CD2 3.11Å; P374-H376 PolarHBondContact O-N 3.37Å; H376-E386 IonicContact CE1-OE2 2.66Å
377F25.5Very low25.7Very low67 Ų67101 Ų10129%0.29453%0.525SS..  trans-81.5129.9173.5-68.3-98.2000109.8V375 L731 P748 Y786V375-F377 HydrophobicContact CB-CD2 4.41Å; V375-F377 HydrophobicContact CB-CE2 3.79Å; V375-F377 HydrophobicContact CB-CZ 4.29Å; V375-F377 HydrophobicContact CG1-CD2 4.28Å; V375-F377 HydrophobicContact CG1-CE2 3.87Å; V375-F377 HydrophobicContact CG1-CZ 4.09Å; V375-F377 WeakPolarHBondContact O-CD2 3.38Å; V375-F377 WeakPolarHBondContact O-CE2 3.3Å; V375-F377 PolarHBondContact O-N 3.03Å; F377-L731 HydrophobicContact CB-CD1 4.01Å; F377-L731 HydrophobicContact CB-CD2 4.47Å; F377-L731 HydrophobicContact CD1-CD1 3.57Å; F377-L731 HydrophobicContact CD2-CD1 4.14Å; F377-L731 HydrophobicContact CE1-CD1 4.06Å; F377-L731 HydrophobicContact CG-CD1 3.63Å; F377-P748 HydrophobicContact CD1-CG 4.42Å; F377-P748 HydrophobicContact CE1-CB 4.07Å; F377-P748 HydrophobicContact CE1-CG 3.63Å; F377-P748 HydrophobicContact CE2-CG 4.45Å; F377-P748 HydrophobicContact CZ-CG 3.68Å; F377-Y786 VanDerWaalsContact CE1-CB 3.41Å
378V27.4Very low25.7Very low60 Ų60101.6 Ų101.636%0.36453%0.525SS..  trans-132.6122.9-172.8-179.10000108.4Q382 I787V378-Q382 WeakPolarHBondContact CG1-O 3.3Å; V378-I787 WeakPolarHBondContact O-CD1 3.49Å
379S28.4Very low25.8Very low16 Ų1695.5 Ų95.511%0.11252%0.515CS..  trans-72.1142.7167.3177.60000108.9Q381 Q382S379-Q381 PolarHBondContact O-N 3.12Å; S379-Q382 PolarHBondContact O-N 3.27Å
380S29.9Very low26.1Very low18 Ų1896.4 Ų96.413%0.12652%0.516CS..THydrogen-bonded Turntrans-69.629.2177400000114.7
381Q34Very low26.3Very low66 Ų6697.8 Ų97.831%0.30852%0.517SS..THydrogen-bonded Turntrans-125.50.9166.4-58.1-169.5-9.800112.9S379 S940S379-Q381 PolarHBondContact O-N 3.12Å; Q381-S940 WeakPolarHBondContact O-CB 3.39Å
382Q30.3Very low26.2Very low32 Ų32103 Ų10315%0.1552%0.523CS..  trans-128.7142.5-179.1-74.4165.8-10.400110V378 S379 N686 L978V378-Q382 WeakPolarHBondContact CG1-O 3.3Å; S379-Q382 PolarHBondContact O-N 3.27Å; Q382-N686 PolarHBondContact NE2-O 3.41Å; Q382-N686 PolarHBondContact OE1-O 2.8Å; Q382-L978 PolarHBondContact NE2-O 2.93Å; Q382-L978 VanDerWaalsContact NE2-O 3.08Å
383L25.6Very low26.4Very low20 Ų2099.5 Ų99.511%0.10551%0.51CS..  trans-150.875.6168.1-124.8171000110.7I385 V893L383-I385 HydrophobicContact CD2-CD1 4.18Å; L383-I385 HydrophobicContact CD2-CG1 3.78Å; L383-V893 WeakPolarHBondContact CD1-O 3.15Å
384I24.5Very low26.3Very low99 Ų99101.8 Ų101.851%0.50852%0.518SS..  trans-90.2116.4171.4-66.2-172.7000109.4R977I384-R977 HydrophobicContact CD1-CB 4.36Å; I384-R977 HydrophobicContact CD1-CG 3.84Å
385I24.4Very low26.3Very low64 Ų64103.5 Ų103.533%0.32853%0.526SS..  trans-10298.1-175.9-55.9135.7000108.7L383 R387 Q892L383-I385 HydrophobicContact CD2-CD1 4.18Å; L383-I385 HydrophobicContact CD2-CG1 3.78Å; I385-R387 VanDerWaalsContact C-N 3.32Å; I385-R387 HydrophobicContact CG2-CG 3.78Å; I385-R387 PolarHBondContact O-N 2.9Å; I385-Q892 HydrophobicContact CD1-CG 4.24Å
386E23.3Very low26.2Very low96 Ų96106.9 Ų106.945%0.44954%0.535SS..  trans-68.889168.1-74.4-179.7136.900109.7H376 K388 R617H376-E386 IonicContact CE1-OE2 2.66Å; E386-K388 PolarHBondContact O-N 2.81Å; E386-R617 WeakPolarHBondContact OE1-CD 3.25Å; E386-R617 IonicContact OE1-CZ 3.99Å; E386-R617 IonicContact OE1-NE 2.71Å; E386-R617 IonicContact OE1-NH1 3.38Å; E386-R617 PolarHBondContact OE1-NH1 3.18Å; E386-R617 IonicContact OE2-NH1 3.79Å
387R26.2Very low26.1Very low187 Ų187107.7 Ų107.771%0.70654%0.542SS*.  trans-72.1119.1175.8-68.2-171.9175.6-179.2-1110.5I385 Q892I385-R387 VanDerWaalsContact C-N 3.32Å; I385-R387 HydrophobicContact CG2-CG 3.78Å; I385-R387 PolarHBondContact O-N 2.9Å; R387-Q892 VanDerWaalsContact NH2-OE1 3.1Å
388K25Very low26.1Very low202 Ų202112.7 Ų112.788%0.87857%0.566SS**  trans-68.8137.3163-72.3-174.1177-177.60109.9E386E386-K388 PolarHBondContact O-N 2.81Å
389P23.8Very low25.9Very low95 Ų95114.3 Ų114.362%0.61758%0.58SS**  trans-95.7114.8-17934.2-31.9000112.9P621P389-P621 HydrophobicContact CG-CB 4.48Å; P389-P621 HydrophobicContact CG-CG 4.27Å
390E30.2Very low25.7Very low179 Ų179118.5 Ų118.584%0.83661%0.61SS**  trans-133.5113.5166.5-70.6-169.3164.400112.6
391Q28Very low25.5Very low171 Ų171125.6 Ų125.680%0.79965%0.646SS**  trans48.597.7143.3-51.6-174.418.500121
392F25.1Very low25Very low204 Ų204127.9 Ų127.990%0.89567%0.669SS**  40.6156.3117.7-75.5-70.8000122.9
393P27.1Very low24.9Very low107 Ų107132.8 Ų132.870%0.69571%0.705SS**  cis-137162.2-3.439.9-21.8000118
394S21.8Very low24.8Very low101 Ų101136 Ų13671%0.70673%0.729SS**  trans42117.3142.566.80000123
395V23.5Very low24.9Very low150 Ų150137.8 Ų137.891%0.90974%0.74SS**  trans-135.8141.4133.3179.60000107.9
396Q21.3Very low25Very low175 Ų175142.7 Ų142.782%0.81877%0.765SS**  trans-95.1159.8177.1-60.3173.1-62.900111.3
397I23.6Very low25.1Very low153 Ų153142.2 Ų142.279%0.78578%0.778SS**  -175.9130.3120.1-93.7155000111.3
398Q24.1Very low25Very low171 Ų171140.5 Ų140.580%0.79978%0.783SS**  trans4.7155.9151.3-61.2164.6-35.800121.5
399S23.7Very low25.2Very low94 Ų94139.1 Ų139.166%0.65778%0.784SS**  cis176.3167.3-20.757.10000109.5
400S24.3Very low25.4Very low105 Ų105138.9 Ų138.973%0.73479%0.785SS**  trans74.3144.9163.484.50000116.4
401L26.2Very low25.2Very low167 Ų167139.6 Ų139.687%0.87478%0.781SS**  cis-127.7163.4-4-80.894.1000111.4
402S23.8Very low25.3Very low114 Ų114138.7 Ų138.780%0.79778%0.782SS**  trans-128154.5162.257.10000110.1
403C28Very low25.6Very low134 Ų134134.7 Ų134.791%0.90577%0.77SS**  trans-152.9155.1158.3-154.50000108.8
404S23.8Very low26Very low87 Ų87135.3 Ų135.361%0.60877%0.767SS**  trans-138.6171.3-165.554.40000113.5
405D25.3Very low26.6Very low138 Ų138136.4 Ų136.474%0.73876%0.764SS**  trans79.3159157.3-49.7-52.8000119.9
406L27Very low27Very low166 Ų166135.4 Ų135.487%0.86975%0.753SS**  trans71.2102.3179.5-47.9-179000114.1
407A24.8Very low27.6Very low86 Ų86130.9 Ų130.971%0.71174%0.741SS**  cis77.8138.244.500000114.7
408D25.8Very low28.2Very low152 Ų152130.1 Ų130.181%0.81374%0.735SS**  trans53.8113.2173.9-57.3-25.6000119.1
409L28.8Very low28.7Very low173 Ų173125.5 Ų125.591%0.90672%0.718SS**  -168162.8100.5-100.5166.8000113.7
410S26.9Very low29.4Very low90 Ų90126.5 Ų126.563%0.62971%0.713SS**  trans-98.3153-161.756.90000115.6
411Y26.9Very low30Very low194 Ų194125.2 Ų125.276%0.76170%0.698SS**  trans56123148.5-90.1-110.6000120
412N30.8Very low30.4Very low152 Ų152119.3 Ų119.381%0.81367%0.674SS**  trans-152.4146.2130.7-105.5-38.9000110.7
413N31.2Very low30.9Very low120 Ų120120.8 Ų120.864%0.64267%0.666SS**  trans-100.1-4.8-159.5-89.9-43.2000115.9L415N413-L415 PolarHBondContact O-N 3.07Å
414D35.6Very low31.3Very low120 Ų120120.4 Ų120.464%0.64265%0.651SS**THydrogen-bonded Turntrans-72.4-25.1-163.8-59.5-62.2000115L416 S417D414-L416 PolarHBondContact O-N 3Å; D414-L416 VanDerWaalsContact O-N 3.1Å; D414-S417 PolarHBondContact O-N 3.41Å; D414-S417 PolarHBondContact O-OG 2.92Å
415L32.9Very low31.9Very low123 Ų123122.5 Ų122.564%0.64465%0.649SS**Hα-helixtrans-63.6-20.8-173.7-147.878.1000114N413 S417 V419N413-L415 PolarHBondContact O-N 3.07Å; L415-S417 VanDerWaalsContact C-N 3.29Å; L415-S417 PolarHBondContact O-N 3.21Å; L415-V419 WeakPolarHBondContact O-CB 3.25Å; L415-V419 VanDerWaalsContact O-CG2 3.27Å; L415-V419 WeakPolarHBondContact O-CG2 3.33Å; L415-V419 PolarHBondContact O-N 3.42Å
416L32.1Very low32.2Very low129 Ų129124.9 Ų124.968%0.67565%0.648SS**Hα-helixtrans-71-26.6-179-159.970.1000112.3D414 M420D414-L416 PolarHBondContact O-N 3Å; D414-L416 VanDerWaalsContact O-N 3.1Å; L416-M420 WeakPolarHBondContact O-CB 3.35Å; L416-M420 WeakPolarHBondContact O-CG 3.35Å; L416-M420 PolarHBondContact O-N 2.84Å
417S34.9Very low32.4Very low81 Ų81126.9 Ų126.957%0.56664%0.644SS**Hα-helixtrans-71.8-49.6178.166.50000111.9D414 L415 V419 M420 D421D414-S417 PolarHBondContact O-N 3.41Å; D414-S417 PolarHBondContact O-OG 2.92Å; L415-S417 VanDerWaalsContact C-N 3.29Å; L415-S417 PolarHBondContact O-N 3.21Å; S417-V419 PolarHBondContact O-N 3.2Å; S417-M420 PolarHBondContact O-N 2.99Å; S417-D421 WeakPolarHBondContact O-CB 3.33Å; S417-D421 PolarHBondContact O-N 2.73Å
418E36.2Very low32.8Very low137 Ų137127.3 Ų127.364%0.6464%0.642SS**Hα-helixtrans-64.4-38.9178-65.6-165.2125.200112.5M420 A422E418-M420 PolarHBondContact O-N 2.92Å; E418-A422 WeakPolarHBondContact O-CB 3.4Å; E418-A422 PolarHBondContact O-N 2.8Å
419V34.9Very low32.9Very low73 Ų73123.4 Ų123.444%0.44264%0.637SS.*Hα-helixtrans-65.3-37.9178169.50000111.8L415 S417 F423L415-V419 WeakPolarHBondContact O-CB 3.25Å; L415-V419 VanDerWaalsContact O-CG2 3.27Å; L415-V419 WeakPolarHBondContact O-CG2 3.33Å; L415-V419 PolarHBondContact O-N 3.42Å; S417-V419 PolarHBondContact O-N 3.2Å; V419-F423 PolarHBondContact O-N 3.08Å; V419-F423 VanDerWaalsContact O-N 3.09Å
420M36.5Very low32.9Very low115 Ų115121.4 Ų121.457%0.56763%0.632SS**Hα-helixtrans-74.2-42.8178.2-68.6-68.3-77.400112L416 S417 E418 A422 F423 E424L416-M420 WeakPolarHBondContact O-CB 3.35Å; L416-M420 WeakPolarHBondContact O-CG 3.35Å; L416-M420 PolarHBondContact O-N 2.84Å; S417-M420 PolarHBondContact O-N 2.99Å; E418-M420 PolarHBondContact O-N 2.92Å; M420-A422 VanDerWaalsContact C-N 3.33Å; M420-A422 PolarHBondContact O-N 3.18Å; M420-F423 WeakPolarHBondContact O-CA 3.34Å; M420-F423 VanDerWaalsContact O-CB 3.32Å; M420-F423 WeakPolarHBondContact O-CB 3.19Å; M420-F423 PolarHBondContact O-N 3.36Å; M420-E424 PolarHBondContact O-N 2.95Å
421D38.2Very low33Very low78 Ų78124.6 Ų124.642%0.41764%0.642SS.*Hα-helixtrans-65.1-35.2175.2-178.341.8000111.9S417 F423 E424 K425S417-D421 WeakPolarHBondContact O-CB 3.33Å; S417-D421 PolarHBondContact O-N 2.73Å; D421-F423 VanDerWaalsContact C-N 3.34Å; D421-E424 PolarHBondContact O-N 2.97Å; D421-K425 VanDerWaalsContact CG-NZ 3.33Å; D421-K425 VanDerWaalsContact O-CB 3.29Å; D421-K425 WeakPolarHBondContact O-CB 3.26Å; D421-K425 VanDerWaalsContact O-CG 3.28Å; D421-K425 WeakPolarHBondContact O-CG 3.14Å; D421-K425 PolarHBondContact O-N 3.34Å; D421-K425 WeakPolarHBondContact OD1-CE 3.32Å; D421-K425 IonicContact OD1-NZ 3.93Å; D421-K425 PolarHBondContact OD1-NZ 2.76Å; D421-K425 WeakPolarHBondContact OD2-CE 3.42Å; D421-K425 IonicContact OD2-NZ 2.72Å; D421-K425 PolarHBondContact OD2-NZ 2.87Å
422A34.5Very low33.1Very low44 Ų44125.1 Ų125.136%0.36465%0.648SS.*Hα-helixtrans-64.5-35.616900000112.9E418 M420 R426E418-A422 WeakPolarHBondContact O-CB 3.4Å; E418-A422 PolarHBondContact O-N 2.8Å; M420-A422 VanDerWaalsContact C-N 3.33Å; M420-A422 PolarHBondContact O-N 3.18Å; A422-R426 WeakPolarHBondContact O-CG 3.28Å; A422-R426 PolarHBondContact O-N 3.04Å
423F33.2Very low32.8Very low144 Ų144128.4 Ų128.463%0.63265%0.649SS**Hα-helixtrans-67.4-41.1175.5-118.4-89.3000112.4V419 M420 D421V419-F423 PolarHBondContact O-N 3.08Å; V419-F423 VanDerWaalsContact O-N 3.09Å; M420-F423 WeakPolarHBondContact O-CA 3.34Å; M420-F423 VanDerWaalsContact O-CB 3.32Å; M420-F423 WeakPolarHBondContact O-CB 3.19Å; M420-F423 PolarHBondContact O-N 3.36Å; D421-F423 VanDerWaalsContact C-N 3.34Å
424E37.1Very low32.6Very low127 Ų127129.6 Ų129.659%0.59366%0.661SS**Hα-helixtrans-79.3-33.6179.9-61.5-150105.800112.6M420 D421 R426 R427M420-E424 PolarHBondContact O-N 2.95Å; D421-E424 PolarHBondContact O-N 2.97Å; E424-R426 PolarHBondContact O-N 2.97Å; E424-R427 WeakPolarHBondContact O-CB 3.25Å; E424-R427 PolarHBondContact O-N 3Å; E424-R427 VanDerWaalsContact O-N 3.09Å; E424-R427 IonicContact OE1-NH1 3.63Å
425K36.5Very low32.2Very low130 Ų130128.7 Ų128.757%0.56566%0.664SS**Hα-helixtrans-62.8-39.5171.7-76.7168.2176.7166.90112.7D421 R427 S428D421-K425 VanDerWaalsContact CG-NZ 3.33Å; D421-K425 VanDerWaalsContact O-CB 3.29Å; D421-K425 WeakPolarHBondContact O-CB 3.26Å; D421-K425 VanDerWaalsContact O-CG 3.28Å; D421-K425 WeakPolarHBondContact O-CG 3.14Å; D421-K425 PolarHBondContact O-N 3.34Å; D421-K425 WeakPolarHBondContact OD1-CE 3.32Å; D421-K425 IonicContact OD1-NZ 3.93Å; D421-K425 PolarHBondContact OD1-NZ 2.76Å; D421-K425 WeakPolarHBondContact OD2-CE 3.42Å; D421-K425 IonicContact OD2-NZ 2.72Å; D421-K425 PolarHBondContact OD2-NZ 2.87Å; K425-R427 PolarHBondContact O-N 3.49Å; K425-R427 VanDerWaalsContact O-N 3.16Å; K425-S428 WeakPolarHBondContact O-CB 3.5Å; K425-S428 PolarHBondContact O-N 3.31Å; K425-S428 PolarHBondContact O-OG 3.12Å
426R31.5Very low32Very low189 Ų189131.7 Ų131.771%0.71368%0.675SS**G310 helixtrans-62.8-17.7173.7-78.2179.3-179.91752.9113.7A422 E424 S428A422-R426 WeakPolarHBondContact O-CG 3.28Å; A422-R426 PolarHBondContact O-N 3.04Å; E424-R426 PolarHBondContact O-N 2.97Å; R426-S428 PolarHBondContact O-N 3.48Å
427R31.7Very low31.7Very low207 Ų207130.1 Ų130.178%0.78168%0.675SS**G310 helixtrans-78.61.1-179.1-138.9175.9-165.6170.25.6114.4E424 K425E424-R427 WeakPolarHBondContact O-CB 3.25Å; E424-R427 PolarHBondContact O-N 3Å; E424-R427 VanDerWaalsContact O-N 3.09Å; E424-R427 IonicContact OE1-NH1 3.63Å; K425-R427 PolarHBondContact O-N 3.49Å; K425-R427 VanDerWaalsContact O-N 3.16Å
428S32.5Very low31.4Very low96 Ų96134.5 Ų134.567%0.67169%0.69SS**G310 helixtrans-100.9-19.6-167.465.70000116.6K425 R426K425-S428 WeakPolarHBondContact O-CB 3.5Å; K425-S428 PolarHBondContact O-N 3.31Å; K425-S428 PolarHBondContact O-OG 3.12Å; R426-S428 PolarHBondContact O-N 3.48Å
429G27.7Very low31Very low69 Ų69135.2 Ų135.271%0.71170%0.698SS**  trans64.180.3165.100000117.5
430V28.6Very low30.5Very low132 Ų132134.7 Ų134.780%0.871%0.708SS**  trans-137.6135.5167.2-177.30000110
431D28.9Very low30.1Very low156 Ų156134.1 Ų134.183%0.83470%0.702SS**  trans-60.4144.7176-83-55.7000113.2
432F29.6Very low29.8Very low205 Ų205134.9 Ų134.990%0.89971%0.706SS**  trans-142.4140.1151.5-112.3-83.8000113.1
433R25.1Very low29.9Very low221 Ų221137.6 Ų137.683%0.83472%0.718SS**  trans-106.8163.7172.4-85.3178.2163.5-176.9-5.3109.9
434T27.4Very low29.9Very low146 Ų146135.5 Ų135.590%0.89672%0.722SS**  trans62.6145.2173.344.40000114.8
435S26.9Very low29.5Very low101 Ų101138.8 Ų138.871%0.70673%0.728SS**  cis-137.3-177.10.1490000108.6
436Q28.2Very low29.1Very low185 Ų185140.1 Ų140.186%0.86474%0.738SS**  cis-157.317616.7-149.5156.110.900109.8
437S25.1Very low29Very low97 Ų97138.5 Ų138.568%0.67874%0.744SS**  trans-96.7138.6-168.552.40000115.8
438I28.6Very low28.9Very low173 Ų173136.2 Ų136.289%0.88775%0.748SS**  trans-133.3136.8139.8-62-175.5000106.9
439D27.6Very low28.7Very low151 Ų151140.8 Ų140.881%0.80776%0.758SS**  trans-77.9158.4-169.9-64.6-84.3000114.6
440G25.6Very low28.8Very low62 Ų62145.8 Ų145.864%0.63977%0.767SS**  trans141.824.7145.100000121.7
441F28.5Very low28.8Very low104 Ų104148.3 Ų148.346%0.45677%0.767SS.*  trans176.9115.6150-111.4-89.4000108.4V443 F962F441-V443 HydrophobicContact CD1-CG2 4.11Å; F441-F962 HydrophobicContact CB-CE1 3.7Å; F441-F962 HydrophobicContact CB-CZ 4.04Å
442D31.6Very low28.7Very low93 Ų93148.4 Ų148.450%0.49777%0.767SS.*  trans-126.3103171.2-178.2-0.1000108.6S444 R445D442-S444 VanDerWaalsContact C-N 3.33Å; D442-S444 WeakPolarHBondContact OD1-CB 3.31Å; D442-S444 PolarHBondContact OD1-N 2.82Å; D442-S444 PolarHBondContact OD1-OG 2.83Å; D442-R445 IonicContact OD2-NH1 2.76Å
443V37.1Very low28.8Very low102 Ų102146.3 Ų146.362%0.61877%0.765SS**  trans-86.3-8.1-179.8-172.50000111.2F441 R445F441-V443 HydrophobicContact CD1-CG2 4.11Å; V443-R445 PolarHBondContact O-N 2.91Å
444S31.8Very low29Very low100 Ų100143.5 Ų143.570%0.69977%0.767SS**SBendtrans-86.8-2-170.576.10000115.3D442D442-S444 VanDerWaalsContact C-N 3.33Å; D442-S444 WeakPolarHBondContact OD1-CB 3.31Å; D442-S444 PolarHBondContact OD1-N 2.82Å; D442-S444 PolarHBondContact OD1-OG 2.83Å
445R28.5Very low29.1Very low195 Ų195145.9 Ų145.974%0.73677%0.767SS**  trans-131.378.4-170.1-79.3-173.9163.2126.5-7.4115.1D442 V443D442-R445 IonicContact OD2-NH1 2.76Å; V443-R445 PolarHBondContact O-N 2.91Å
446M29.2Very low29.4Very low158 Ų158146.5 Ų146.578%0.77877%0.772SS**  trans-136.640.4161.2-77.9-155.8170.500113.7R902M446-R902 PolarHBondContact SD-NH1 2.73Å
447D29.9Very low29.7Very low156 Ų156145.6 Ų145.683%0.83477%0.768SS**SBendtrans-126.651.9178.1-110.1-30.4000112.1
448N28.8Very low30Very low159 Ų159147.1 Ų147.185%0.8577%0.768SS**SBendtrans-166.548.5170.8-106.4-51.9000115.5
449E28.3Very low30.2Very low191 Ų191144.8 Ų144.889%0.89376%0.757SS**  trans-157.485.1162.3-124.3162.8-138.300114.3
450I28.6Very low30.4Very low175 Ų175143.6 Ų143.690%0.89776%0.756SS**  trans-130.683.6157.8-56.8-178.5000108.1
451K29.6Very low30.6Very low185 Ų185145.5 Ų145.580%0.80476%0.759SS**SBendtrans-162.6122165.5-115.7168.6-172.2174.30110.8
452L27.2Very low30.7Very low157 Ų157147.1 Ų147.182%0.82277%0.771SS**  trans62.397.8167-61.8147.5000115.5
453N32Very low30.8Very low161 Ų161149.7 Ų149.786%0.86178%0.784SS**  -174.189.7120.3-90.1-13.8000110.6
454N29.4Very low30.5Very low163 Ų163152.1 Ų152.187%0.87279%0.792SS**  trans-108.3124155.7-86.35.6000106.7
455E29.2Very low30.6Very low195 Ų195152 Ų15291%0.91179%0.789SS**  trans-177.4122.5137-108.8172.4-153.200111.8
456S33.2Very low30.9Very low114 Ų114149.2 Ų149.280%0.79779%0.789SS**  trans142.7134.3160.651.80000109.8
457Q33.1Very low31.1Very low167 Ų167148.4 Ų148.478%0.7879%0.786SS**  cis-154.7152.1-12.3-124.9177.7-0.100108.8
458N33.2Very low31.3Very low129 Ų129145.7 Ų145.769%0.6978%0.777SS**  trans68.2150.1161.4-60.116.4000117
459D32Very low31.4Very low123 Ų123146.1 Ų146.166%0.65878%0.778SS**  cis-150.1142.9-0.1-127.2-36.8000112.7
460T32.5Very low31.7Very low126 Ų126141.7 Ų141.777%0.77377%0.774SS**  trans56.2152.1164.6660000119.7
461S29.5Very low32Very low102 Ų102139.5 Ų139.571%0.71377%0.772SS**  cis-166.1149.6-28.353.10000105.1
462I30.7Very low32Very low139 Ų139142.9 Ų142.971%0.71378%0.779SS**  -174.8136.768.7-82-174.1000108
463I32.6Very low32.4Very low147 Ų147140.9 Ų140.975%0.75478%0.778SS**  trans50.2111.8157.6-61.1165.9000118.2
464L30.4Very low32.6Very low153 Ų153144.6 Ų144.680%0.80178%0.78SS**  cis73.2156.247.1-67.5171.9000115.5
465P34.1Very low32.7Very low98 Ų98142.2 Ų142.264%0.63678%0.776SS**  cis-141.2175.2-9.826.7-2.6000117.6
466N35.2Very low33.1Very low135 Ų135142.8 Ų142.872%0.72278%0.776SS**  trans71.2147137.4-73.6-0.5000123.1
467I33.2Very low33.1Very low142 Ų142148.7 Ų148.773%0.72878%0.781SS**  cis-155.7159-23.1-126.8168.9000109.8
468P34.4Very low33.2Very low99 Ų99152.9 Ų152.964%0.64379%0.789SS**  trans-128.3-169.1-166.944.9-30.6000116.1
469L32Very low33.5Very low168 Ų168151.3 Ų151.388%0.8879%0.794SS**  trans69.5127.9156-65.9169.1000121.1
470A34.1Very low34Very low97 Ų97151 Ų15180%0.80280%0.799SS**  -172.3149.9124.400000111.8
471P35Very low34.7Very low130 Ų130150.6 Ų150.684%0.84480%0.798SS**  trans-111.4167.5-166.839.8-31.8000116.9
472R28.7Very low35.1Very low255 Ų255151.4 Ų151.496%0.96280%0.801SS**  trans-88.7157.7176.9-75.1-179.7168179.6-3.9113.7
473S35.4Very low35.5Very low115 Ų115150.5 Ų150.580%0.80480%0.804SS**  trans-133.9145.7171.6700000115.1
474R36.4Very low36Very low240 Ų240149.4 Ų149.491%0.90681%0.807SS**  trans41.397.1155-68.1-179.4169.3173.9-3.2121.8
475S32Very low36.1Very low112 Ų112150.3 Ų150.378%0.78381%0.811SS**  45.1123.7108.2-171.20000121.7
476K36.9Very low36.4Very low208 Ų208155 Ų15590%0.90483%0.825SS**  -165163.1127.8-107.7163.7-171.7177.60114.3
477R33Very low36.3Very low237 Ų237153.6 Ų153.689%0.89483%0.826SS**  trans-71.1147.6-168.5-53.6165.5175.2175.1-4.4115.2
478R36.2Very low36.5Very low256 Ų256152.5 Ų152.597%0.96683%0.831SS**  -169.8169.1122.7-106.4175.9-177.4-153.1-0.7112.4
479A38.4Very low36.6Very low95 Ų95152.2 Ų152.279%0.78583%0.831SS**  trans-104.2167.8-17400000112.2
480P43.3Very low36.7Very low118 Ų118150.7 Ų150.777%0.76683%0.829SS**PPolyproline II helixtrans-102.9164.6-158.539.4-36.3000116.2
481P47.6Very low36.7Very low117 Ų117150.5 Ų150.576%0.7683%0.827SS**PPolyproline II helixtrans-101.8165.1161.438.3-31.3000113.5
482P36.7Very low36.5Very low118 Ų118151.1 Ų151.177%0.76682%0.823SS**PPolyproline II helixtrans-83.3171.1177.234.9-36.4000114.2
483P39.4Very low36.6Very low120 Ų120146.1 Ų146.178%0.77982%0.815SS**PPolyproline II helixtrans-92.6156.5-169.136.4-36.5000115.4
484P43.7Very low36.3Very low125 Ų125146.8 Ų146.881%0.81281%0.809SS**PPolyproline II helixtrans-95.1156.5167.837-32.6000113.3
485L32.7Very low36.1Very low171 Ų171143.3 Ų143.390%0.89581%0.806SS**PPolyproline II helixtrans-90.8157.8169.7-62.4101.4000111.9
486Q39.1Very low35.8Very low197 Ų197143.4 Ų143.492%0.92180%0.802SS**  trans-148.2171.7148.8-113.6173.215.600110.8
487S33.8Very low35.3Very low106 Ų106139 Ų13974%0.74179%0.793SS**  trans-148-179.1-134.855.90000116
488S37.3Very low35Very low119 Ų119133.2 Ų133.283%0.83278%0.784SS**  trans86.1149.8170.288.80000115.8
489S36.6Very low34.6Very low93 Ų93127.6 Ų127.665%0.6577%0.773SS**  cis-155152.61.6880000113.1
490T34.1Very low34.2Very low135 Ų135128.3 Ų128.383%0.82877%0.768SS**  trans61.4143.8146.6-220000118
491A34Very low33.6Very low94 Ų94129.2 Ų129.278%0.77777%0.766SS**  cis-137177.213.700000113.2
492L30.3Very low32.9Very low142 Ų142129.9 Ų129.974%0.74377%0.768SS**  trans-116.6156.7-175.1-81.2159.5000113.4I494L492-I494 HydrophobicContact CD2-CD1 4.25Å
493N32.1Very low32.7Very low150 Ų150128.6 Ų128.680%0.80277%0.767SS**  trans159.1109.4139.3-79-15.7000107.2
494I28.4Very low32.4Very low130 Ų130128.8 Ų128.867%0.66777%0.766SS**  61.3104.854.9-50.3177.2000112.7L492L492-I494 HydrophobicContact CD2-CD1 4.25Å
495I31.6Very low32Very low167 Ų167128.1 Ų128.186%0.85676%0.761SS**  -168.1159.9125.9-97.6162.8000108.3
496T26Very low32Very low113 Ų113125.9 Ų125.969%0.69375%0.749SS**  trans-117173.4-159.4-24.10000113.3
497T26.9Very low31.8Very low117 Ų117123.1 Ų123.172%0.71874%0.741SS**  trans78.4125147.239.10000122.4
498T27.3Very low31.7Very low114 Ų114124.3 Ų124.370%0.69974%0.739SS**  trans75.8116.813455.20000123.8
499N27.6Very low31.5Very low138 Ų138126.3 Ų126.374%0.73874%0.739SS**  93.8142.6120.8-763.1000124.1
500T29.6Very low31.1Very low110 Ų110129.4 Ų129.468%0.67575%0.745SS**  trans73.5113.7148.542.30000122
501N30Very low30.9Very low137 Ų137128.3 Ų128.373%0.73374%0.741SS**  53.8130.5128.2-47.7-10.5000119
502T32.8Very low30.6Very low132 Ų132128.7 Ų128.781%0.8174%0.738SS**  -176.4151.768.629.40000112.2
503A33.4Very low30.7Very low90 Ų90126.5 Ų126.574%0.74474%0.735SS**  trans58.9148.714800000119.7
504T32.8Very low30.4Very low124 Ų124126.4 Ų126.476%0.76173%0.734SS**  cis-163.1-178.3-5.414.40000107.5
505T35.1Very low30.5Very low112 Ų112125.6 Ų125.669%0.68773%0.731SS**  cis-155.214515.5-170000112.2
506N33.4Very low30.3Very low124 Ų124124.9 Ų124.966%0.66372%0.723SS**  trans17.1120.5145.7-56.4-1.7000122.4
507N35.3Very low30.3Very low139 Ų139125.6 Ų125.674%0.74373%0.728SS**  178.1117.299.9-85.7-34.7000108.9
508N31.5Very low30.3Very low131 Ų131128.1 Ų128.170%0.70174%0.735SS**  57.6127.583.5-64-28.1000112.4
509I32.6Very low30.2Very low161 Ų161129.4 Ų129.483%0.82674%0.738SS**  cis-138.8136.329.9-66.7164.8000108.6
510M27.6Very low30.3Very low158 Ų158130 Ų13078%0.77874%0.741SS**  cis90.4107.547-106.4-62.5-166.400116.3
511C29.9Very low30.1Very low111 Ų111129.1 Ų129.175%0.7574%0.738SS**  trans143.1110.1153.8-85.20000109.9
512S29.3Very low29.9Very low102 Ų102127.2 Ų127.271%0.71374%0.736SS**  72.6135.658.8800000112.7
513S31.2Very low29.6Very low96 Ų96128.5 Ų128.567%0.67174%0.737SS**  cis-160.8153.918.352.90000112.8
514L27.3Very low29.2Very low149 Ų149131.2 Ų131.278%0.7874%0.739SS**  trans41.2152.7133.7-75.468.6000120.2
515D29.1Very low29Very low113 Ų113133.1 Ų133.160%0.60474%0.743SS**  cis-159173.923.5-137.8-32.4000114.8
516Q28.5Very low28.6Very low151 Ų151130.6 Ų130.671%0.70674%0.739SS**  trans31.5122.2156.7-74.41465800120.5
517T24.5Very low28.3Very low129 Ų129130.9 Ų130.979%0.79175%0.746SS**  cis72.2111.947.3-54.50000114.9
518I28.4Very low27.8Very low170 Ų170130.9 Ų130.987%0.87275%0.745SS**  trans-152.5150.8136.8-103.3156.5000108
519N24.8Very low27.6Very low141 Ų141131.3 Ų131.375%0.75475%0.746SS**  trans-122.9-172.8-171-164.80.6000110.1
520L29.2Very low27.1Very low151 Ų151128.2 Ų128.279%0.79174%0.739SS**  trans118.9111.5178.2-67.1163000108.7
521S25.2Very low26.9Very low90 Ų90129.7 Ų129.763%0.62974%0.741SS**  58.2132.253.387.10000112.8
522S25.9Very low26.6Very low98 Ų98129.7 Ų129.769%0.68574%0.738SS**  cis179.3153.20.141.60000108.4
523L27.3Very low26.4Very low158 Ų158131.9 Ų131.983%0.82774%0.742SS**  trans-170.6136.3134.1-128.269.4000112.1
524D24.4Very low26Very low148 Ų148136.5 Ų136.579%0.79175%0.75SS**  trans-81.6170.1164.1-68.2-81.1000111.7
525I28.6Very low25.8Very low164 Ų164137.6 Ų137.684%0.84176%0.755SS**  174.6136124.9-89.6154000111.3
526G27.9Very low25.6Very low59 Ų59141 Ų14161%0.60877%0.765SS**  trans69.4109.8161.300000117
527T25.3Very low25.5Very low130 Ų130141.8 Ų141.880%0.79877%0.773SS**  cis43125.546.986.10000112.2
528N25.5Very low25.5Very low138 Ų138142.7 Ų142.774%0.73877%0.772SS**  178.7175.752.2-130-41.3000110.6
529I26.5Very low25.4Very low140 Ų140138 Ų13872%0.71877%0.766SS**  trans53.7102.3155.9-59159.7000116.4
530S23.8Very low25.5Very low96 Ų96139.7 Ų139.767%0.67177%0.773SS**  82.2127.152.890.60000117.2
531K23.2Very low25.3Very low189 Ų189138.1 Ų138.182%0.82278%0.775SS**  trans86.6142.3156.2-71.6-173.5175.2-179.80121.8
532T23.5Very low25.4Very low112 Ų112138.1 Ų138.169%0.68778%0.78SS**  trans69.9104.8146.545.40000121.3
533D23.8Very low25.6Very low148 Ų148139.7 Ų139.779%0.79179%0.788SS**  93.2151.2124.4-64.9-40.9000122.4
534K23.4Very low25.5Very low192 Ų192137.2 Ų137.284%0.83578%0.784SS**  trans-71.8147.9-169.5-53.1162.5179.4174.30111.4
535L23.7Very low25.9Very low172 Ų172138.5 Ų138.590%0.90179%0.785SS**  trans-158.5143.9134.6-108.8159.4000110.7
536F23.4Very low25.7Very low185 Ų185138 Ų13881%0.81178%0.779SS**  trans-81158.7166.5-90.9-114.3000109.8
537I27Very low25.8Very low168 Ų168143.1 Ų143.186%0.86279%0.792SS**  trans-160.5149.2143.8-103148.1000108.8
538N25.3Very low25.7Very low147 Ų147146 Ų14679%0.78680%0.796SS**  trans-98.6150-171.3-73.8-19.6000113.7
539G25.4Very low25.7Very low71 Ų71146 Ų14673%0.73280%0.801SS**  trans90.1144.3135.400000119.1
540I26.9Very low25.7Very low178 Ų178147.3 Ų147.391%0.91380%0.804SS**  trans-158.4151.5138.6-100.9154.7000108.4
541S26.1Very low25.6Very low118 Ų118152.6 Ų152.683%0.82582%0.818SS**  trans-77.5172.5-157-47.50000117.8
542A27.4Very low25.8Very low89 Ų89148.8 Ų148.874%0.73681%0.811SS**  trans-77.9-170.4170.800000113.4
543P28.8Very low25.8Very low132 Ų132148.5 Ų148.586%0.85781%0.813SS**  -131.6171.6111.939.4-33.1000114.9
544S26.3Very low26Very low105 Ų105148 Ų14873%0.73481%0.81SS**  trans-89.7156.7-173.550.60000115.2
545H32.5Very low26.1Very low175 Ų175145.1 Ų145.181%0.8180%0.804SS**  -157.6151.9126.3-113.4-65.3000111.6
546E24Very low26.2Very low154 Ų154144.1 Ų144.172%0.7280%0.798SS**  trans-80.3155.7-177.2-52.3115.3129.700113.7
547N29.1Very low26.3Very low167 Ų167139.4 Ų139.489%0.89379%0.785SS**  trans-166144.2134.9-101.1-53.9000110.8
548H24.9Very low26.2Very low191 Ų191137 Ų13788%0.88477%0.773SS**  trans-75.4130.5177.5-73.7-104.1000112.1
549V25.5Very low26.2Very low137 Ų137135.4 Ų135.483%0.8377%0.765SS**  trans-143.5150146.1-174.90000108
550E24.9Very low26.2Very low168 Ų168137.1 Ų137.179%0.78575%0.75SS**  trans-61.9146.2-169.2-62.8143.9130.900115.3T552E550-T552 PolarHBondContact O-N 2.84Å
551E23Very low26.5Very low206 Ų206136.1 Ų136.196%0.96375%0.746SS**  trans-67.8117.6168.4-67-173.9123.200110.1
552T26.8Very low27.2Very low110 Ų110132.6 Ų132.668%0.67572%0.718SS**  trans-113.7117.6174.337.50000110.7E550 N554E550-T552 PolarHBondContact O-N 2.84Å; T552-N554 PolarHBondContact O-N 2.99Å; T552-N554 VanDerWaalsContact O-N 3.15Å; T552-N554 PolarHBondContact O-ND2 2.95Å
553S24.1Very low28.5Very low105 Ų105135.1 Ų135.173%0.73471%0.712SS**  trans-63.6110.5174.648.90000110.1D555S553-D555 PolarHBondContact O-N 3.21Å
554N28.1Very low29.8Very low137 Ų137131.3 Ų131.373%0.73368%0.684SS**  trans-91.783.5177.3-82.2-95.8000109.9T552 I556T552-N554 PolarHBondContact O-N 2.99Å; T552-N554 VanDerWaalsContact O-N 3.15Å; T552-N554 PolarHBondContact O-ND2 2.95Å; N554-I556 PolarHBondContact O-N 2.88Å
555D25.1Very low31.1Very low132 Ų132129.3 Ų129.371%0.70666%0.664SS**  trans-63.3123.3171.4-64.9-60.8000110.8S553 T557S553-D555 PolarHBondContact O-N 3.21Å; D555-T557 PolarHBondContact O-N 3.06Å
556I26.2Very low32.1Very low151 Ų151127 Ų12777%0.77465%0.648SS**  trans-97.668.7178.8-51-176.7000109.4N554 L558N554-I556 PolarHBondContact O-N 2.88Å; I556-L558 HydrophobicContact CG2-CG 4.48Å; I556-L558 PolarHBondContact O-N 3.47Å
557T25.2Very low32.9Very low86 Ų86125.3 Ų125.353%0.52864%0.641SS.*  trans-78.2103.5172.7-44.20000109.8D555 N559 I660D555-T557 PolarHBondContact O-N 3.06Å; T557-N559 VanDerWaalsContact C-N 3.33Å; T557-N559 WeakPolarHBondContact CG2-OD1 3.47Å; T557-N559 PolarHBondContact O-N 3.33Å; T557-I660 HydrophobicContact CG2-CD1 4.13Å
558L24.8Very low33Very low118 Ų118123.3 Ų123.362%0.61863%0.63SS**  trans-79.678.7175.3-76.9169000111I556 Y560I556-L558 HydrophobicContact CG2-CG 4.48Å; I556-L558 PolarHBondContact O-N 3.47Å; L558-Y560 HydrophobicContact CB-CD2 4.15Å; L558-Y560 HydrophobicContact CB-CE2 3.67Å; L558-Y560 HydrophobicContact CD1-CE2 4.27Å; L558-Y560 HydrophobicContact CG-CE2 4.42Å; L558-Y560 VanDerWaalsContact O-CD2 3.24Å; L558-Y560 WeakPolarHBondContact O-CD2 3.49Å; L558-Y560 PolarHBondContact O-N 2.85Å
559N24.5Very low33.4Very low114 Ų114119.6 Ų119.661%0.6163%0.626SS**  trans-67.392.4172.2-76.814.3000110.9T557T557-N559 VanDerWaalsContact C-N 3.33Å; T557-N559 WeakPolarHBondContact CG2-OD1 3.47Å; T557-N559 PolarHBondContact O-N 3.33Å
560Y26.8Very low33.5Very low107 Ų107121.8 Ų121.842%0.4263%0.629SS.*  trans-80.7120.6168.9-69.3-81.6000110L558 I562L558-Y560 HydrophobicContact CB-CD2 4.15Å; L558-Y560 HydrophobicContact CB-CE2 3.67Å; L558-Y560 HydrophobicContact CD1-CE2 4.27Å; L558-Y560 HydrophobicContact CG-CE2 4.42Å; L558-Y560 VanDerWaalsContact O-CD2 3.24Å; L558-Y560 WeakPolarHBondContact O-CD2 3.49Å; L558-Y560 PolarHBondContact O-N 2.85Å; Y560-I562 WeakPolarHBondContact O-CG1 3.22Å; Y560-I562 PolarHBondContact O-N 3.31Å
561N33Very low33.6Very low157 Ų157117.1 Ų117.184%0.8463%0.626SS**  trans-75.578.3173.4-83.1-70.7000110.5
562I40Very low33.7Very low43 Ų43111.8 Ų111.822%0.22161%0.611CS.*  trans-75.3144.7-170.5-77.4173.7000112Y560 F678 G720Y560-I562 WeakPolarHBondContact O-CG1 3.22Å; Y560-I562 PolarHBondContact O-N 3.31Å; I562-F678 HydrophobicContact CG2-CD1 3.97Å; I562-F678 HydrophobicContact CG2-CD2 3.36Å; I562-F678 HydrophobicContact CG2-CE1 3.7Å; I562-F678 HydrophobicContact CG2-CE2 3.05Å; I562-F678 HydrophobicContact CG2-CG 3.81Å; I562-F678 HydrophobicContact CG2-CZ 3.25Å; I562-G720 CarbonylContact C-O 3.52Å; I562-G720 WeakPolarHBondContact CA-O 3.44Å; I562-G720 WeakPolarHBondContact CB-O 3.23Å; I562-G720 WeakPolarHBondContact CG1-O 3.15Å; I562-G720 WeakPolarHBondContact CG2-O 3.11Å
563K55.1Low33.8Very low142 Ų142114.4 Ų114.462%0.61762%0.621SS**EExtended strand (participates in β ladder)trans-133.4152.1-176.7-65-179.2-178.3175.10113.9G720 T721 L722K563-G720 PolarHBondContact N-O 3.14Å; K563-G720 VanDerWaalsContact N-O 3.09Å; K563-T721 HydrophobicContact CB-CG2 3.88Å; K563-T721 CarbonylContact O-C 3.53Å; K563-T721 WeakPolarHBondContact O-CA 3.49Å; K563-T721 VanDerWaalsContact O-CB 3.22Å; K563-T721 WeakPolarHBondContact O-CB 3.33Å; K563-T721 WeakPolarHBondContact O-CG2 3.43Å; K563-L722 PolarHBondContact O-N 2.88Å
564I55.5Low34Very low53 Ų53117.3 Ų117.327%0.27262%0.623SS.*EExtended strand (participates in β ladder)trans-94129.8164.4-69.4168.4000108.6R566 F678 P682 L683 Y710 L722I564-R566 HydrophobicContact CG2-CG 4.23Å; I564-F678 HydrophobicContact CG1-CZ 4.01Å; I564-P682 HydrophobicContact CD1-CG 3.64Å; I564-L683 HydrophobicContact CD1-CD1 3.88Å; I564-L683 HydrophobicContact CD1-CD2 4.15Å; I564-L683 HydrophobicContact CD1-CG 3.73Å; I564-L683 HydrophobicContact CG1-CD1 4.42Å; I564-Y710 HydrophobicContact CG2-CE1 3.78Å; I564-L722 WeakPolarHBondContact CA-O 3.4Å; I564-L722 HydrophobicContact CG1-CB 4.16Å
565I54.7Low34.2Very low63 Ų63118 Ų11832%0.32363%0.627SS.*EExtended strand (participates in β ladder)trans-104.7119.1175.5-60.6-179.4000109.4E567 T721 L722 E723 L724I565-E567 HydrophobicContact CG2-CG 4.17Å; I565-T721 HydrophobicContact CD1-CG2 3.83Å; I565-T721 HydrophobicContact CG1-CG2 4.05Å; I565-L722 PolarHBondContact N-O 2.84Å; I565-E723 HydrophobicContact CB-CG 4.39Å; I565-E723 HydrophobicContact CD1-CG 4.28Å; I565-L724 PolarHBondContact O-N 3.25Å
566R52.4Low34.6Very low125 Ų125118 Ų11847%0.47263%0.627SS.*  trans-118119.2167.9-66.4177177.8-172.7-4.2107.4I564 D568 D707 Y710I564-R566 HydrophobicContact CG2-CG 4.23Å; R566-D568 PolarHBondContact O-N 3.36Å; R566-D707 IonicContact CZ-OD2 3.35Å; R566-D707 IonicContact NH1-OD2 2.74Å; R566-D707 IonicContact NH2-OD2 3.14Å; R566-D707 PolarHBondContact NH2-OD2 3.32Å; R566-Y710 PolarHBondContact NE-OH 3.28Å; R566-Y710 PolarHBondContact NH2-OH 3.49Å; R566-Y710 VanDerWaalsContact NH2-OH 3.11Å
567E41.2Very low34.9Very low119 Ų119117.7 Ų117.756%0.55663%0.627SS**  trans-91.996.4179.6-69-178101.900110.5I565 S569 R762I565-E567 HydrophobicContact CG2-CG 4.17Å; E567-S569 PolarHBondContact O-N 2.93Å; E567-S569 PolarHBondContact O-OG 3.46Å; E567-R762 IonicContact OE2-CZ 2.77Å; E567-R762 IonicContact OE2-NE 3.21Å; E567-R762 PolarHBondContact OE2-NE 3Å; E567-R762 IonicContact OE2-NH2 2.72Å; E567-R762 PolarHBondContact OE2-NH2 3.41Å
568D31.5Very low35.4Very low125 Ų125121.5 Ų121.567%0.66864%0.644SS**  trans-67.777.4175-73.2-24000111.1R566 M570R566-D568 PolarHBondContact O-N 3.36Å; D568-M570 PolarHBondContact O-N 3.25Å
569S32Very low35.8Very low114 Ų114123 Ų12380%0.79765%0.653SS**  trans-85.3110-177.638.90000111.4E567E567-S569 PolarHBondContact O-N 2.93Å; E567-S569 PolarHBondContact O-OG 3.46Å
570M27.7Very low36.3Very low183 Ų183124.9 Ų124.990%0.90166%0.663SS**  trans-73.6155.6-173.5-55.3178-174.800114.1D568D568-M570 PolarHBondContact O-N 3.25Å
571G27.5Very low36.5Very low70 Ų70126.6 Ų126.672%0.72268%0.679SS**  trans126.295.5156.600000114.2
572S25.2Very low36.3Very low93 Ų93122.6 Ų122.665%0.6568%0.675SS**  trans-72138.4168.5500000111.7
573N28.5Very low35.8Very low166 Ų166128.1 Ų128.189%0.88871%0.705SS**  trans-155.6114.8142.1-99.9-3.1000106.4
574E29.7Very low34.6Very low165 Ų165129.6 Ų129.677%0.77171%0.714SS**  trans-91.2148.2171.6-68.1162.6145.800108.7
575N31.1Very low33.2Very low151 Ų151133.5 Ų133.581%0.80774%0.741SS**  trans177.5161.5149.4-99.711.7000110.2
576D33.2Very low32Very low133 Ų133134.5 Ų134.571%0.71176%0.758SS**  trans72.269.9164.6-51.5-5.9000117.2
577D34.4Very low30.7Very low144 Ų144137.6 Ų137.677%0.7778%0.775SS**  65.2117.3119.7-51.6-13.2000122
578D35.4Very low30.1Very low167 Ų167141.9 Ų141.989%0.89379%0.788SS**  -167.2130.1109.6-98.3-28.6000109.6
579D33.3Very low29.7Very low150 Ų150141.7 Ų141.780%0.80280%0.796SS**  trans-48.4133.5-165-69.5-57.8000119.2
580D35.1Very low29.5Very low153 Ų153140.4 Ų140.482%0.81879%0.787SS**  -156.2150.6113.6-159.60.7000110
581N30.7Very low29.3Very low142 Ų142136.5 Ų136.576%0.75978%0.778SS**  trans-103.9136.5-163.7-74.8-99.5000113.8
582G28.4Very low29.2Very low73 Ų73138.7 Ų138.775%0.75378%0.777SS**  trans158.889166.500000117.3
583D29.5Very low29.2Very low160 Ų160139.7 Ų139.786%0.85678%0.784SS**  trans55.5124.7153.9-65.9-21.6000123.8
584E29.5Very low29.1Very low172 Ų172138.3 Ų138.380%0.80478%0.775SS**  trans63.999.4144.3-58.4-156.6137.400121.7
585T26.4Very low29.1Very low136 Ų136138.1 Ų138.183%0.83478%0.78SS**  trans-86.5109.2164.242.80000112.3
586A29.2Very low28.9Very low84 Ų84138.8 Ų138.869%0.69478%0.778SS**  trans-109.4120.4170.700000111.8
587K25.8Very low28.7Very low190 Ų190140.3 Ų140.383%0.82679%0.786SS**  trans-78.3121179.7-67.2171.3-177.7167.90111
588Y27.9Very low28.5Very low209 Ų209137.5 Ų137.582%0.8279%0.791SS**  trans-115.6101.6166-89.9-84.3000111.5
589S23.7Very low28.1Very low120 Ų120138 Ų13884%0.83979%0.788SS**  trans-92.2111.8161.9-62.30000108.4
590S26.9Very low27.8Very low87 Ų87138.3 Ų138.361%0.60879%0.788SS**  trans-144.792.4175.861.90000111V592S590-V592 PolarHBondContact O-N 2.98Å
591S24.2Very low27.5Very low101 Ų101135.2 Ų135.271%0.70678%0.779SS**  trans-66.2113.8171.754.30000110.5
592V25.7Very low27.3Very low116 Ų116133.4 Ų133.470%0.70378%0.777SS**  trans-98.493.7176.51780000109.4S590 I594S590-V592 PolarHBondContact O-N 2.98Å; V592-I594 HydrophobicContact CG1-CD1 3.9Å; V592-I594 HydrophobicContact CG1-CG1 3.79Å
593S25.1Very low27.4Very low115 Ų115135 Ų13580%0.80478%0.777SS**  trans-102.1100.5169.9-640000109.4
594I27.1Very low27.3Very low136 Ų136134.1 Ų134.170%0.69777%0.771SS**  trans-93.8107177.1-60.8173.3000108.9V592V592-I594 HydrophobicContact CG1-CD1 3.9Å; V592-I594 HydrophobicContact CG1-CG1 3.79Å
595N28.1Very low27.3Very low162 Ų162133 Ų13387%0.86677%0.771SS**  trans-120.4144.4154.8-90-12.9000107.1
596H27.8Very low27.4Very low165 Ų165132.5 Ų132.576%0.76476%0.763SS**SBendtrans-68.5155.7-172-77.9-94.7000114.6
597N29.3Very low27.5Very low165 Ų165134.9 Ų134.988%0.88276%0.763SS**  trans86.9121.5166.9-47.3-39.3000117.2
598G30.4Very low27.6Very low85 Ų85133 Ų13388%0.87676%0.763SS**  trans146.491.4166.100000115.7
599Q26Very low27.9Very low177 Ų177130.9 Ų130.983%0.82776%0.757SS**  trans-66.8160178.9-74.1174.5-34.100116.2
600L27.3Very low28.1Very low156 Ų156131 Ų13182%0.81775%0.753SS**  trans71.9149.6154-65.1153.4000118
601S27.7Very low28.2Very low89 Ų89134.5 Ų134.562%0.62277%0.765SS**  cis-171.9147.8-11.947.40000112.7
602S26.9Very low28.5Very low103 Ų103135.8 Ų135.872%0.7277%0.768SS**  trans45.5135152.459.40000120.3
603S30.3Very low28.6Very low107 Ų107135.9 Ų135.975%0.74877%0.771SS**  cis-167.3137.343.430.20000108.8
604I27.4Very low28.8Very low142 Ų142134.8 Ų134.873%0.72877%0.769SS**  68.196.173.9-57.8174.3000113.8
605N31.1Very low28.8Very low149 Ų149133.8 Ų133.880%0.79777%0.771SS**  trans160.5147135.7-87.4-19.3000110.1
606D28.5Very low28.9Very low125 Ų125131.8 Ų131.867%0.66877%0.767SS**  -168.8152.3-50.7-125.4-2.8000107.8
607N30.4Very low29.1Very low133 Ų133130.5 Ų130.571%0.71176%0.756SS**  trans63.5105.8175.4-49.6-73.5000117.7
608D28.6Very low29Very low151 Ų151127.3 Ų127.381%0.80774%0.744SS**  -147.8177.386.1-140.7-25.4000111.7
609K33.2Very low29.1Very low164 Ų164128.7 Ų128.771%0.71374%0.737SS**  trans-111.7159.3-161.2-60.7156.7-173155.80112.3
610T29Very low29.5Very low123 Ų123125 Ų12576%0.75573%0.729SS**  cis-166.8128.4-28.333.20000106.8
611L28.1Very low29.8Very low161 Ų161121.9 Ų121.984%0.84372%0.718SS**  trans-128.6121.4161.6-103.5144.9000107.9
612T30Very low30Very low127 Ų127127.3 Ų127.378%0.77973%0.73SS**PPolyproline II helixtrans-77137.8-165.3500000112.4
613P29.2Very low30.3Very low118 Ų118130.2 Ų130.277%0.76674%0.737SS**PPolyproline II helixtrans-62.8154.4170.629.1-35.2000110.8
614A28.4Very low30.3Very low92 Ų92131.4 Ų131.476%0.7674%0.735SS**PPolyproline II helixtrans-57.2137.5172.100000110.1
615P27.6Very low30.5Very low115 Ų115132.1 Ų132.175%0.74774%0.74SS**PPolyproline II helixtrans-63.9144-173.425.5-34.5000111.4
616P29.8Very low30.6Very low120 Ų120130.5 Ų130.578%0.77973%0.731SS**PPolyproline II helixtrans-60.2145.1171.327.5-34.3000110
617R32.1Very low30.9Very low139 Ų139134.1 Ų134.153%0.52574%0.744SS.*PPolyproline II helixtrans-59.6131.5176.4-168.8-165-65.4-103.718108.9E386E386-R617 WeakPolarHBondContact OE1-CD 3.25Å; E386-R617 IonicContact OE1-CZ 3.99Å; E386-R617 IonicContact OE1-NE 2.71Å; E386-R617 IonicContact OE1-NH1 3.38Å; E386-R617 PolarHBondContact OE1-NH1 3.18Å; E386-R617 IonicContact OE2-NH1 3.79Å
618P27.5Very low30.9Very low97 Ų97134.1 Ų134.163%0.6375%0.749SS**PPolyproline II helixtrans-63.4142.8176.326.7-34.7000110.7
619P32.1Very low31Very low114 Ų114130.1 Ų130.174%0.7474%0.744SS**PPolyproline II helixtrans-71.1152.8176.730.5-35.3000111.4
620P35.1Very low30.9Very low99 Ų99128.7 Ų128.764%0.64375%0.748SS**PPolyproline II helixtrans-63.6152.6170.528.3-34.6000111.3K622P620-K622 PolarHBondContact O-N 3Å
621P32Very low31Very low92 Ų92128.4 Ų128.460%0.59775%0.746SS**PPolyproline II helixtrans-66.4130.9179.228.3-35000111.1P389 L623P389-P621 HydrophobicContact CG-CB 4.48Å; P389-P621 HydrophobicContact CG-CG 4.27Å; P621-L623 PolarHBondContact O-N 2.93Å
622K33Very low31.2Very low203 Ų203125.3 Ų125.388%0.88374%0.738SS**PPolyproline II helixtrans-64.9119.7174.2-63.6-176.3178.9-1750109.9P620 N624P620-K622 PolarHBondContact O-N 3Å; K622-N624 PolarHBondContact O-N 3.23Å
623L32.9Very low31.3Very low163 Ų163127 Ų12785%0.85374%0.741SS**PPolyproline II helixtrans-67.1122.4171.1-128.577.3000109.2P621 N625P621-L623 PolarHBondContact O-N 2.93Å; L623-N625 PolarHBondContact O-N 3.06Å
624N31Very low31.4Very low132 Ų132126.5 Ų126.571%0.70674%0.739SS**  trans-97.592.4-169-165.722.8000110.6K622 N626K622-N624 PolarHBondContact O-N 3.23Å; N624-N626 PolarHBondContact O-N 3.46Å
625N31.5Very low31.5Very low157 Ų157128.1 Ų128.184%0.8474%0.739SS**  trans-68.987.9178.8-88.7-4000111.6L623L623-N625 PolarHBondContact O-N 3.06Å
626N31.7Very low31.9Very low115 Ų115127.3 Ų127.362%0.61573%0.734SS**  trans-12591.7174-96.7-22.8000110.8N624N624-N626 PolarHBondContact O-N 3.46Å
627H34.8Very low32Very low202 Ų202128.5 Ų128.594%0.93573%0.733SS**  trans-141.9138.2148.6-93.4-65.8000109.9
628T30.8Very low31.8Very low133 Ų133131.5 Ų131.582%0.81674%0.744SS**  trans-113.3138.1-158.750.80000113.4
629G31.6Very low31.9Very low67 Ų67133.2 Ų133.269%0.69175%0.748SS**  trans17789.6169.300000109.9
630V30.6Very low31.9Very low134 Ų134132.5 Ų132.581%0.81275%0.746SS**  63.8110.185.5178.80000109.5
631T31.2Very low31.6Very low116 Ų116136.5 Ų136.571%0.71275%0.753SS**  cis-159.915541.9-25.30000113
632S31.7Very low31.6Very low96 Ų96139.9 Ų139.967%0.67176%0.761SS**  trans42.7144.5142.556.70000122.2
633L31.8Very low31.4Very low162 Ų162136.2 Ų136.285%0.84875%0.751SS**  cis-159.6-173.510.6-110.9162.9000107.8
634P31.1Very low31.4Very low109 Ų109135.4 Ų135.471%0.70875%0.747SS**  trans-122176.1-130.244.2-29.8000118.1
635T32Very low31.3Very low125 Ų125136.8 Ų136.877%0.76776%0.755SS**  trans-79.4-159.1161.356.50000110
636P36.3Very low31.2Very low98 Ų98134.5 Ų134.564%0.63675%0.751SS**  cis-141.9-151.3-0.431.6-4.1000115
637L30.2Very low31.1Very low146 Ų146134.3 Ų134.376%0.76476%0.759SS**  trans88.3146.3161.9-50.5166000115.8
638R29.5Very low30.7Very low202 Ų202134.9 Ų134.976%0.76276%0.759SS**  cis-165.2152.2-4.2-133.2-179.2170.1-179.6-2.2111.7
639N29.7Very low30.7Very low133 Ų133136.7 Ų136.771%0.71176%0.758SS**  trans60158.4148.3-71.92.3000118.9
640S32Very low30.7Very low99 Ų99140.1 Ų140.169%0.69276%0.759SS**  cis-165.9167.1-15.945.50000110.4
641K28.9Very low30.5Very low182 Ų182139.8 Ų139.879%0.79176%0.762SS**  trans5.5142.1149.4-53.4179.2-179.2-177.10117.3
642Q31.1Very low30.4Very low163 Ų163145.7 Ų145.776%0.76277%0.771SS**  cis-168.617948.4-147.6148.5-38.900112.8
643N29.3Very low30.2Very low126 Ų126147.4 Ų147.467%0.67477%0.769SS**  trans-27.6160.4171.7-46.813.4000118
644D32.4Very low30Very low146 Ų146147.5 Ų147.578%0.78177%0.765SS**  -158.9175.550.6-101.8-42.6000115.5S646D644-S646 PolarHBondContact O-N 2.72Å
645D29.8Very low29.8Very low161 Ų161151.6 Ų151.686%0.86177%0.774SS**  trans-64.2118.2-173.3-83.7-57000116.2
646S28.9Very low29.6Very low109 Ų109152 Ų15276%0.76277%0.771SS**  trans-167.6102.1142.948.90000114.4D644D644-S646 PolarHBondContact O-N 2.72Å
647S28.9Very low29.1Very low112 Ų112154.1 Ų154.178%0.78377%0.773SS**  trans164.8116.7141.4-80.70000112.2H649S647-H649 VanDerWaalsContact C-N 3.31Å; S647-H649 PolarHBondContact O-N 3.34Å; S647-H649 VanDerWaalsContact O-N 3.12Å
648K27.9Very low28.9Very low213 Ų213156.3 Ų156.393%0.92678%0.781SS**SBendtrans-8659.2175.3-72.3-177.2177.4175.30112.8
649H30.4Very low28.7Very low172 Ų172149.6 Ų149.680%0.79678%0.775SS**SBendtrans-158.7162.4163.5-93.6-83.6000107.5S647S647-H649 VanDerWaalsContact C-N 3.31Å; S647-H649 PolarHBondContact O-N 3.34Å; S647-H649 VanDerWaalsContact O-N 3.12Å
650I30.2Very low28.7Very low139 Ų139150 Ų15071%0.71378%0.776SS**  trans67.764.1-179.6-41164.6000113.7
651S27.8Very low28.4Very low126 Ų126147.5 Ų147.588%0.88177%0.766SS**  trans-147.328.9161.6-740000112.5
652R27.8Very low28.4Very low240 Ų240145.1 Ų145.191%0.90676%0.761SS**SBendtrans-124.621.4176.1-106.4-174.2175.4-171.2-2.3112.3
653Q28.8Very low28.4Very low133 Ų133141.2 Ų141.262%0.62175%0.749SS**SBendtrans-129.63.4-161.9-150.4160.2-7.600114.3
654H27.3Very low28.5Very low164 Ų164140.9 Ų140.976%0.75975%0.754SS**SBendtrans-119.134.8170.7-89.4-55.5000112.3E657H654-E657 IonicContact CE1-OE2 3.59Å; H654-E657 PolarHBondContact CE1-OE2 3.14Å; H654-E657 IonicContact CG-OE2 2.73Å; H654-E657 IonicContact ND1-OE2 3.17Å; H654-E657 PolarHBondContact ND1-OE2 2.99Å
655Q27.4Very low28.3Very low194 Ų194140 Ų14091%0.90775%0.754SS**SBendtrans-129.530.7162.6-75.5-170.4-26.700110.5
656L26.9Very low28.3Very low133 Ų133137.1 Ų137.170%0.69674%0.744SS**SBendtrans-125.57.5-176.6-72.7167.9000113.1
657E25.9Very low28.2Very low144 Ų144142.3 Ų142.367%0.67375%0.753SS**SBendtrans-106.38.3-175.8-67.817312000113.9H654H654-E657 IonicContact CE1-OE2 3.59Å; H654-E657 PolarHBondContact CE1-OE2 3.14Å; H654-E657 IonicContact CG-OE2 2.73Å; H654-E657 IonicContact ND1-OE2 3.17Å; H654-E657 PolarHBondContact ND1-OE2 2.99Å
658M26.1Very low28.1Very low191 Ų191142.2 Ų142.294%0.94175%0.748SS**SBendtrans-109.251.7167.4-72.7-76.7-74.400109.3
659G26.1Very low28.3Very low62 Ų62139.6 Ų139.664%0.63974%0.738SS**  trans-83.1128.7-174.600000113.4G661G659-G661 PolarHBondContact O-N 3.25Å
660I28.1Very low28.6Very low141 Ų141137.4 Ų137.472%0.72373%0.73SS**  trans-32.1101.8172.2-55.6167.2000112.8T557T557-I660 HydrophobicContact CG2-CD1 4.13Å
661G26Very low29.7Very low47 Ų47133.4 Ų133.449%0.48572%0.723SS.*  trans-110.674.2-177.500000113.6G659 K973G659-G661 PolarHBondContact O-N 3.25Å; G661-K973 PolarHBondContact O-NZ 3.09Å
662L30.2Very low31.7Very low132 Ų132128.1 Ų128.169%0.69169%0.687SS**PPolyproline II helixtrans-64.9139.6162.4-82.5169.8000109.5
663P30Very low34.1Very low80 Ų80119.8 Ų119.852%0.51967%0.665SS.*PPolyproline II helixtrans-63.7147.5176.226.9-33.6000111.3T665P663-T665 PolarHBondContact O-N 3.44Å
664P31Very low36.9Very low119 Ų119115.2 Ų115.277%0.77364%0.643SS**PPolyproline II helixtrans-65.2122.5-172.125.9-34.7000111.6P666P664-P666 WeakPolarHBondContact O-CD 3.45Å; P664-P666 VanDerWaalsContact O-N 3.16Å
665T29.7Very low39.7Very low128 Ų128112 Ų11279%0.78563%0.63SS**  trans-57.8115.4-175.4-27.60000111.5P663 K667P663-T665 PolarHBondContact O-N 3.44Å; T665-K667 PolarHBondContact O-N 3.47Å
666P28.4Very low42.6Very low100 Ų100107 Ų10765%0.64961%0.606SS**  trans-65138176.6-20.734.1000110.3P664 V668P664-P666 WeakPolarHBondContact O-CD 3.45Å; P664-P666 VanDerWaalsContact O-N 3.16Å; P666-V668 VanDerWaalsContact C-N 3.28Å; P666-V668 HydrophobicContact CB-CG2 3.78Å; P666-V668 PolarHBondContact O-N 3.46Å
667K27.3Very low45.4Very low218 Ų218101.2 Ų101.295%0.94858%0.576SS**  trans-75.675.4-179.6-69.2179.3-179.7172.60111.3T665T665-K667 PolarHBondContact O-N 3.47Å
668V27Very low48.2Very low111 Ų11194.7 Ų94.767%0.67355%0.545SS*.  trans-116.5158.7179.7-139.30000111.8P666 M670P666-V668 VanDerWaalsContact C-N 3.28Å; P666-V668 HydrophobicContact CB-CG2 3.78Å; P666-V668 PolarHBondContact O-N 3.46Å; V668-M670 PolarHBondContact O-N 3.31Å
669H31.7Very low51Low157 Ų15790.8 Ų90.873%0.72753%0.525SS*.THydrogen-bonded Turntrans-68.3119.5178.8-75.949.9000110.9G671H669-G671 PolarHBondContact O-N 2.79Å
670M36.5Very low53.7Low126 Ų12689.1 Ų89.162%0.62151%0.507SS*.THydrogen-bonded Turntrans52.152.5168.6-64.6-78.6-74.900114.9V668 E1008V668-M670 PolarHBondContact O-N 3.31Å; M670-E1008 HydrophobicContact CE-CG 3.98Å; M670-E1008 WeakPolarHBondContact CE-OE2 3.43Å
671G53.9Low56.5Low55 Ų5582.4 Ų82.457%0.56747%0.473SS*.  trans-74.4139.516900000112.3H669H669-G671 PolarHBondContact O-N 2.79Å
672A69.2Low59.4Low16 Ų1683.9 Ų83.913%0.13247%0.474CS..  trans-77.7153.3169.400000111.6Q967 L1004 V1005 H1007A672-Q967 VanDerWaalsContact CB-OE1 3.31Å; A672-L1004 HydrophobicContact CB-CD1 3.97Å; A672-L1004 HydrophobicContact CB-CG 4.23Å; A672-V1005 CarbonylContact C-O 3.57Å; A672-V1005 WeakPolarHBondContact CA-O 3.46Å; A672-V1005 WeakPolarHBondContact CB-O 3.45Å; A672-H1007 HydrophobicContact CB-CB 4.31Å
673C78.9Confident62.1Low64 Ų6477.8 Ų77.843%0.43244%0.442SS..EExtended strand (participates in β ladder)trans-147.3152.5178.263.60000112.2V1005C673-V1005 PolarHBondContact N-O 2.76Å; C673-V1005 PolarHBondContact O-N 3.2Å
674F87Confident64.9Low38 Ų3879.1 Ų79.117%0.16744%0.44CS..EExtended strand (participates in β ladder)trans-79.2130.8170-63.7-53.6000110.8F951 L956 I969 Y976 V987 L1002 I1003 L1004F674-F951 HydrophobicContact CE1-CE1 4.25Å; F674-F951 HydrophobicContact CZ-CE1 4.31Å; F674-L956 HydrophobicContact CE1-CD2 3.91Å; F674-L956 HydrophobicContact CZ-CD2 3.79Å; F674-L956 HydrophobicContact CZ-CG 4.39Å; F674-I969 HydrophobicContact CD2-CG2 4.12Å; F674-I969 HydrophobicContact CE2-CB 4.5Å; F674-I969 HydrophobicContact CE2-CD1 4.36Å; F674-I969 HydrophobicContact CE2-CG2 3.79Å; F674-Y976 HydrophobicContact CD2-CD1 4.16Å; F674-Y976 AromaticContact CD2-CE1 3.54Å; F674-Y976 HydrophobicContact CD2-CE1 3.54Å; F674-Y976 AromaticContact CE2-CD1 3.72Å; F674-Y976 HydrophobicContact CE2-CD1 3.72Å; F674-Y976 AromaticContact CE2-CE1 3.47Å; F674-Y976 HydrophobicContact CE2-CE1 3.47Å; F674-Y976 VanDerWaalsContact CE2-CE1 3.47Å; F674-Y976 HydrophobicContact CE2-CG 4.37Å; F674-Y976 AromaticContact CE2-CZ 3.92Å; F674-Y976 HydrophobicContact CG-CE1 4.37Å; F674-Y976 HydrophobicContact CZ-CD1 4.07Å; F674-Y976 HydrophobicContact CZ-CE1 4.26Å; F674-V987 HydrophobicContact CE1-CB 4.42Å; F674-V987 HydrophobicContact CE1-CG1 4.39Å; F674-V987 HydrophobicContact CE1-CG2 4.05Å; F674-L1002 HydrophobicContact CB-CB 4.42Å; F674-L1002 HydrophobicContact CB-CD1 4.05Å; F674-L1002 HydrophobicContact CG-CD1 4.14Å; F674-I1003 WeakPolarHBondContact CA-O 3.09Å; F674-L1004 HydrophobicContact CD1-CB 4.4Å; F674-L1004 HydrophobicContact CD1-CD1 3.84Å; F674-L1004 HydrophobicContact CE1-CB 4.48Å; F674-L1004 HydrophobicContact CE1-CD1 3.85Å
675M86.6Confident67.8Low97 Ų9773.4 Ų73.448%0.47840%0.403SS..EExtended strand (participates in β ladder)trans-115.4122.1174.3177-178.1-69.700109.3L1002 I1003 V1005M675-L1002 CarbonylContact O-C 3.59Å; M675-L1002 VanDerWaalsContact O-CA 3.3Å; M675-L1002 WeakPolarHBondContact O-CA 3.18Å; M675-I1003 HydrophobicContact CB-CG1 4.03Å; M675-I1003 HydrophobicContact CG-CG1 4.49Å; M675-I1003 PolarHBondContact N-O 3.35Å; M675-I1003 PolarHBondContact O-N 3.2Å; M675-I1003 HydrophobicContact SD-CD1 4.33Å; M675-V1005 HydrophobicContact CB-CG2 3.8Å; M675-V1005 HydrophobicContact CE-CG2 4.03Å; M675-V1005 HydrophobicContact SD-CG2 4.1Å
676Q87.3Confident70.8Confident87 Ų8768.3 Ų68.341%0.40737%0.371SS..EExtended strand (participates in β ladder)trans-71.9129.6177.9-172.6160.8-7100111.2E679 N1000 L1002Q676-E679 PolarHBondContact NE2-OE2 3.39Å; Q676-N1000 VanDerWaalsContact OE1-CG 3.27Å; Q676-N1000 PolarHBondContact OE1-ND2 2.74Å; Q676-N1000 VanDerWaalsContact OE1-ND2 3.14Å; Q676-L1002 HydrophobicContact CB-CD2 3.78Å; Q676-L1002 HydrophobicContact CG-CD2 4.05Å
677I86.5Confident73.9Confident13 Ų1363.9 Ų63.97%0.06734%0.342CS..EExtended strand (participates in β ladder)trans-114.9-16.3177.954.5158.3000112.8I701 F703 L712 L714 L1001 I1003I677-I701 HydrophobicContact CD1-CD1 3.73Å; I677-F703 HydrophobicContact CD1-CZ 4.14Å; I677-L712 HydrophobicContact CB-CD2 4.11Å; I677-L712 HydrophobicContact CD1-CD2 4.09Å; I677-L712 HydrophobicContact CG1-CD2 4.45Å; I677-L714 HydrophobicContact CG2-CD2 4.22Å; I677-L1001 HydrophobicContact CD1-CB 4.36Å; I677-L1001 HydrophobicContact CG1-CB 4.07Å; I677-L1001 WeakPolarHBondContact CG1-O 3.48Å; I677-L1001 PolarHBondContact N-O 3.15Å; I677-I1003 HydrophobicContact CD1-CG2 3.89Å; I677-I1003 HydrophobicContact CG1-CG2 4.38Å; I677-I1003 HydrophobicContact CG2-CD1 3.95Å; I677-I1003 HydrophobicContact CG2-CG1 3.9Å; I677-I1003 HydrophobicContact CG2-CG2 4.23Å
678F84Confident77.1Confident7 Ų753.9 Ų53.93%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-152.4136.9173.9-162.3-74.7000109.3I562 I564 C681 L722 N1000 L1001I562-F678 HydrophobicContact CG2-CD1 3.97Å; I562-F678 HydrophobicContact CG2-CD2 3.36Å; I562-F678 HydrophobicContact CG2-CE1 3.7Å; I562-F678 HydrophobicContact CG2-CE2 3.05Å; I562-F678 HydrophobicContact CG2-CG 3.81Å; I562-F678 HydrophobicContact CG2-CZ 3.25Å; I564-F678 HydrophobicContact CG1-CZ 4.01Å; F678-C681 HydrophobicContact CD1-CB 3.56Å; F678-C681 HydrophobicContact CE1-CB 3.67Å; F678-C681 HydrophobicContact CG-CB 4.46Å; F678-L722 HydrophobicContact CD2-CB 4.41Å; F678-L722 HydrophobicContact CD2-CD1 3.53Å; F678-L722 HydrophobicContact CD2-CG 3.57Å; F678-L722 HydrophobicContact CE1-CD1 4.4Å; F678-L722 HydrophobicContact CE2-CB 3.71Å; F678-L722 HydrophobicContact CE2-CD1 3.34Å; F678-L722 HydrophobicContact CE2-CG 3.35Å; F678-L722 HydrophobicContact CG-CD1 4.14Å; F678-L722 HydrophobicContact CZ-CB 4.41Å; F678-L722 HydrophobicContact CZ-CD1 3.82Å; F678-L722 HydrophobicContact CZ-CG 4.24Å; F678-N1000 WeakPolarHBondContact O-CA 3.27Å; F678-L1001 HydrophobicContact CB-CB 3.82Å; F678-L1001 HydrophobicContact CB-CD1 3.83Å; F678-L1001 HydrophobicContact CB-CG 3.96Å; F678-L1001 HydrophobicContact CG-CD1 4.18Å; F678-L1001 PolarHBondContact N-O 2.97Å; F678-L1001 PolarHBondContact O-N 3.3Å
679E84.9Confident80.4Confident108 Ų10848.8 Ų48.851%0.50527%0.269SS..EExtended strand (participates in β ladder)trans-104.4137.7176.8-166.7173.9150.200110.7Q676 C681 N1000Q676-E679 PolarHBondContact NE2-OE2 3.39Å; E679-C681 PolarHBondContact O-N 2.9Å; E679-N1000 WeakPolarHBondContact CA-OD1 3.18Å
680G84.6Confident83.3Confident27 Ų2741.6 Ų41.628%0.27824%0.236SC..EExtended strand (participates in β ladder)trans59.142.8170.500000115.2P682 N998 N1000G680-P682 WeakPolarHBondContact O-CD 3.49Å; G680-N998 VanDerWaalsContact O-CB 3.31Å; G680-N998 WeakPolarHBondContact O-CB 3.21Å; G680-N998 PolarHBondContact O-ND2 3.32Å; G680-N1000 PolarHBondContact N-OD1 2.89Å
681C86.3Confident86Confident0 Ų036 Ų360%021%0.208CC..EExtended strand (participates in β ladder)trans-70.1115.4177.3-169.40000112.6F678 E679 L683 S999 L1001F678-C681 HydrophobicContact CD1-CB 3.56Å; F678-C681 HydrophobicContact CE1-CB 3.67Å; F678-C681 HydrophobicContact CG-CB 4.46Å; E679-C681 PolarHBondContact O-N 2.9Å; C681-L683 VanDerWaalsContact C-N 3.28Å; C681-L683 PolarHBondContact O-N 2.86Å; C681-S999 WeakPolarHBondContact CA-O 3.37Å; C681-S999 WeakPolarHBondContact CB-O 3.44Å; C681-S999 PolarHBondContact N-O 3.01Å; C681-S999 PolarHBondContact O-N 3.31Å; C681-S999 PolarHBondContact O-OG 2.66Å; C681-L1001 HydrophobicContact CB-CD1 4.1Å; C681-L1001 HydrophobicContact CB-CD2 4.39Å; C681-L1001 HydrophobicContact CB-CG 4.01Å
682P85.5Confident87.7Confident78 Ų7835.7 Ų35.751%0.50620%0.195SC..  trans-78.9-7175.433.9-38.3000113.7I564 G680I564-P682 HydrophobicContact CD1-CG 3.64Å; G680-P682 WeakPolarHBondContact O-CD 3.49Å
683L88.7Confident88.5Confident5 Ų535.4 Ų35.43%0.02619%0.191CC..SBendtrans-79125.1-175.7-56.9172.9000110.4I564 C681 V685 T705 Y710 L722I564-L683 HydrophobicContact CD1-CD1 3.88Å; I564-L683 HydrophobicContact CD1-CD2 4.15Å; I564-L683 HydrophobicContact CD1-CG 3.73Å; I564-L683 HydrophobicContact CG1-CD1 4.42Å; C681-L683 VanDerWaalsContact C-N 3.28Å; C681-L683 PolarHBondContact O-N 2.86Å; L683-V685 PolarHBondContact O-N 2.87Å; L683-T705 HydrophobicContact CB-CG2 4Å; L683-T705 HydrophobicContact CD1-CG2 4.31Å; L683-Y710 HydrophobicContact CD1-CD1 3.99Å; L683-Y710 HydrophobicContact CD1-CD2 3.73Å; L683-Y710 HydrophobicContact CD1-CE1 4.02Å; L683-Y710 HydrophobicContact CD1-CE2 3.76Å; L683-Y710 HydrophobicContact CD1-CG 3.86Å; L683-Y710 HydrophobicContact CD2-CE2 4.02Å; L683-L722 HydrophobicContact CD1-CD1 4.13Å
684K88.6Confident88.8Confident107 Ų10735.1 Ų35.147%0.46519%0.189SC..  trans-69.195.5168.3-178.3170.4175.4174.40109.8T705 N706K684-T705 VanDerWaalsContact O-CA 3.24Å; K684-T705 WeakPolarHBondContact O-CA 3.37Å; K684-T705 WeakPolarHBondContact O-CB 3.18Å; K684-N706 PolarHBondContact O-N 3.12Å
685V92.1Very high88.5Confident0 Ų036.1 Ų36.10%019%0.194CC..EExtended strand (participates in β ladder)trans-75.3123.3174.7-174.10000109.8L683 T688 F703 T705 R977 L979 L1001L683-V685 PolarHBondContact O-N 2.87Å; V685-T688 HydrophobicContact CG1-CG2 3.83Å; V685-F703 HydrophobicContact CG1-CB 4.4Å; V685-F703 HydrophobicContact CG1-CD1 4.11Å; V685-F703 HydrophobicContact CG2-CD1 4.17Å; V685-T705 HydrophobicContact CG2-CG2 4.21Å; V685-R977 PolarHBondContact O-NH1 3.1Å; V685-R977 PolarHBondContact O-NH2 3.34Å; V685-L979 HydrophobicContact CB-CD1 4.18Å; V685-L979 HydrophobicContact CB-CD2 4.04Å; V685-L979 HydrophobicContact CG1-CD1 4.04Å; V685-L979 HydrophobicContact CG1-CD2 4.08Å; V685-L979 HydrophobicContact CG1-CG 4.46Å; V685-L1001 HydrophobicContact CG2-CD2 4.3Å
686N91.8Very high88.2Confident21 Ų2135.1 Ų35.111%0.11219%0.193CC..EExtended strand (participates in β ladder)trans-93-43.5175.8-59.4-45.2000110.6Q382 G704 N706 C730 L731Q382-N686 PolarHBondContact NE2-O 3.41Å; Q382-N686 PolarHBondContact OE1-O 2.8Å; N686-G704 PolarHBondContact N-O 2.98Å; N686-N706 PolarHBondContact ND2-N 2.85Å; N686-N706 PolarHBondContact ND2-OD1 3.05Å; N686-C730 PolarHBondContact ND2-O 2.72Å; N686-L731 WeakPolarHBondContact CB-O 3.39Å
687S92.8Very high88Confident6 Ų634.6 Ų34.64%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-151.6148.4-173.1167.40000111.6G704 L731 L733S687-G704 PolarHBondContact N-O 2.81Å; S687-G704 PolarHBondContact O-N 2.92Å; S687-L731 WeakPolarHBondContact CB-O 3.19Å; S687-L733 PolarHBondContact OG-N 2.92Å; S687-L733 VanDerWaalsContact OG-N 3.12Å
688T95.7Very high87.8Confident9 Ų934.1 Ų34.16%0.05519%0.191CC..EExtended strand (participates in β ladder)trans-129151.117456.10000113.2V685 I701 L702 F703 L979 G980 V986V685-T688 HydrophobicContact CG1-CG2 3.83Å; T688-I701 HydrophobicContact CG2-CG2 4.44Å; T688-L702 WeakPolarHBondContact CA-O 3.24Å; T688-F703 HydrophobicContact CG2-CD1 3.4Å; T688-F703 HydrophobicContact CG2-CE1 3.77Å; T688-F703 HydrophobicContact CG2-CG 4.15Å; T688-L979 HydrophobicContact CG2-CB 3.91Å; T688-L979 HydrophobicContact CG2-CD1 4.46Å; T688-L979 PolarHBondContact N-O 3.05Å; T688-L979 PolarHBondContact OG1-O 3.29Å; T688-G980 PolarHBondContact OG1-N 3.08Å; T688-V986 HydrophobicContact CG2-CB 4.49Å; T688-V986 HydrophobicContact CG2-CG1 4.28Å
689A94.9Very high87.9Confident4 Ų438.3 Ų38.33%0.03321%0.21CC..EExtended strand (participates in β ladder)trans-141.6160.2166.800000111.5L702 L733 V735A689-L702 PolarHBondContact N-O 3.14Å; A689-L702 VanDerWaalsContact N-O 3.12Å; A689-L702 PolarHBondContact O-N 2.81Å; A689-L733 HydrophobicContact CB-CD1 3.49Å; A689-L733 VanDerWaalsContact CB-CD1 3.49Å; A689-L733 HydrophobicContact CB-CG 4.39Å; A689-V735 HydrophobicContact CB-CG2 3.95Å
690T92.8Very high88.2Confident6 Ų633.2 Ų33.24%0.03719%0.187CC..EExtended strand (participates in β ladder)trans-104.8131.6178.8-48.70000110.7I700 R983 N984T690-I700 WeakPolarHBondContact CA-O 3.29Å; T690-R983 HydrophobicContact CG2-CB 4.24Å; T690-N984 PolarHBondContact OG1-N 3.22Å
691W93.7Very high88.6Confident8 Ų832 Ų323%0.0317%0.173CC..EExtended strand (participates in β ladder)trans-119.1153.9169.2-178.450.7000109.5N693 I700 V735 K737 D738 L755 I756 M759W691-N693 HydrophobicContact CE3-CB 4.17Å; W691-N693 HydrophobicContact CH2-CB 3.76Å; W691-N693 HydrophobicContact CZ2-CB 4.17Å; W691-N693 HydrophobicContact CZ3-CB 3.77Å; W691-I700 HydrophobicContact CE3-CB 4.46Å; W691-I700 HydrophobicContact CE3-CD1 3.9Å; W691-I700 HydrophobicContact CZ3-CD1 3.96Å; W691-I700 PolarHBondContact N-O 3.3Å; W691-I700 PolarHBondContact O-N 2.78Å; W691-I700 VanDerWaalsContact O-O 3.13Å; W691-V735 HydrophobicContact CB-CG1 4.12Å; W691-V735 HydrophobicContact CG-CG1 4.16Å; W691-K737 VanDerWaalsContact CD1-O 3.31Å; W691-K737 PolarHBondContact NE1-O 3.11Å; W691-D738 HydrophobicContact CZ2-CB 4.46Å; W691-D738 PolarHBondContact NE1-OD1 2.84Å; W691-L755 HydrophobicContact CB-CD1 4.13Å; W691-L755 HydrophobicContact CD2-CB 4.13Å; W691-L755 HydrophobicContact CD2-CD1 3.53Å; W691-L755 HydrophobicContact CD2-CG 4.45Å; W691-L755 HydrophobicContact CE3-CB 4.14Å; W691-L755 HydrophobicContact CE3-CD1 3.99Å; W691-L755 HydrophobicContact CG-CD1 3.6Å; W691-L755 HydrophobicContact CH2-CB 3.65Å; W691-L755 HydrophobicContact CZ2-CB 3.6Å; W691-L755 HydrophobicContact CZ2-CD1 4.42Å; W691-L755 HydrophobicContact CZ3-CB 3.92Å; W691-I756 HydrophobicContact CH2-CG1 4.43Å; W691-I756 HydrophobicContact CZ2-CG1 4.02Å; W691-M759 HydrophobicContact CH2-CG 4.14Å; W691-M759 HydrophobicContact CZ3-CG 3.91Å
692V89.9Confident89Confident49 Ų4932 Ų3230%0.29717%0.174SC..EExtended strand (participates in β ladder)trans-117.3113.9164.5179.10000105.2P694 S698 Q699V692-P694 WeakPolarHBondContact O-CD 3.44Å; V692-P694 VanDerWaalsContact O-N 3.16Å; V692-S698 WeakPolarHBondContact CA-O 3.39Å; V692-Q699 HydrophobicContact CG2-CG 4.37Å
693N86.6Confident89.5Confident9 Ų928.3 Ų28.35%0.04815%0.15CC..  trans-63.5116.1179.2-180-5.8000108.3W691 E695 T696 L697 S698 I700W691-N693 HydrophobicContact CE3-CB 4.17Å; W691-N693 HydrophobicContact CH2-CB 3.76Å; W691-N693 HydrophobicContact CZ2-CB 4.17Å; W691-N693 HydrophobicContact CZ3-CB 3.77Å; N693-E695 PolarHBondContact O-N 3.12Å; N693-E695 VanDerWaalsContact O-N 3.16Å; N693-E695 WeakPolarHBondContact OD1-CB 3.37Å; N693-E695 PolarHBondContact OD1-N 2.85Å; N693-T696 WeakPolarHBondContact CB-OG1 3.16Å; N693-T696 PolarHBondContact ND2-OG1 2.83Å; N693-T696 VanDerWaalsContact ND2-OG1 3.13Å; N693-L697 WeakPolarHBondContact O-CA 3.47Å; N693-L697 PolarHBondContact O-N 2.87Å; N693-S698 PolarHBondContact N-O 2.89Å; N693-I700 HydrophobicContact CB-CD1 4.08Å
694P85Confident89.8Confident58 Ų5828.1 Ų28.138%0.37715%0.149SC..THydrogen-bonded Turntrans-67.4-17.7-176.329.4-35.8000112.3V692 D738 I756V692-P694 WeakPolarHBondContact O-CD 3.44Å; V692-P694 VanDerWaalsContact O-N 3.16Å; P694-D738 VanDerWaalsContact CD-OD1 3.25Å; P694-D738 WeakPolarHBondContact CD-OD1 3.29Å; P694-D738 WeakPolarHBondContact CG-OD1 3.41Å; P694-I756 HydrophobicContact CG-CD1 3.76Å; P694-I756 HydrophobicContact CG-CG1 4.15Å
695E81.1Confident90.1Very high60 Ų6023 Ų2328%0.2813%0.126SC..THydrogen-bonded Turntrans-84.4-49.7179.5-54.2-164.1145.900111.7S30 N693 K760S30-E695 WeakPolarHBondContact CB-O 3.3Å; S30-E695 VanDerWaalsContact OG-C 3.24Å; S30-E695 WeakPolarHBondContact OG-CA 3.34Å; S30-E695 PolarHBondContact OG-O 2.95Å; N693-E695 PolarHBondContact O-N 3.12Å; N693-E695 VanDerWaalsContact O-N 3.16Å; N693-E695 WeakPolarHBondContact OD1-CB 3.37Å; N693-E695 PolarHBondContact OD1-N 2.85Å; E695-K760 VanDerWaalsContact CD-CE 3.43Å; E695-K760 WeakPolarHBondContact OE1-CE 3.28Å; E695-K760 IonicContact OE1-NZ 2.85Å; E695-K760 PolarHBondContact OE1-NZ 2.87Å; E695-K760 WeakPolarHBondContact OE2-CE 3.16Å; E695-K760 IonicContact OE2-NZ 3.08Å; E695-K760 PolarHBondContact OE2-NZ 2.87Å
696T80Confident90.1Very high76 Ų7625.4 Ų25.447%0.46614%0.139SC..THydrogen-bonded Turntrans-94.3-13-178.3640000114.2N693 S698N693-T696 WeakPolarHBondContact CB-OG1 3.16Å; N693-T696 PolarHBondContact ND2-OG1 2.83Å; N693-T696 VanDerWaalsContact ND2-OG1 3.13Å; T696-S698 PolarHBondContact O-N 2.78Å; T696-S698 VanDerWaalsContact O-N 3.14Å; T696-S698 VanDerWaalsContact OG1-CB 3.23Å; T696-S698 WeakPolarHBondContact OG1-CB 3.29Å; T696-S698 PolarHBondContact OG1-N 2.96Å; T696-S698 PolarHBondContact OG1-OG 2.84Å
697L82.1Confident89.9Confident76 Ų7628.5 Ų28.540%0.39816%0.156SC..  trans56.913.8-166.3-54.5-179.1000114.8T32 N693 Q699T32-L697 HydrophobicContact CG2-CD1 3.71Å; N693-L697 WeakPolarHBondContact O-CA 3.47Å; N693-L697 PolarHBondContact O-N 2.87Å; L697-Q699 PolarHBondContact O-N 3.47Å
698S82.1Confident89.9Confident2 Ų228.2 Ų28.21%0.01415%0.154CC..  trans-57.6130.3169.6-630000110.6V692 N693 T696 D713V692-S698 WeakPolarHBondContact CA-O 3.39Å; N693-S698 PolarHBondContact N-O 2.89Å; T696-S698 PolarHBondContact O-N 2.78Å; T696-S698 VanDerWaalsContact O-N 3.14Å; T696-S698 VanDerWaalsContact OG1-CB 3.23Å; T696-S698 WeakPolarHBondContact OG1-CB 3.29Å; T696-S698 PolarHBondContact OG1-N 2.96Å; T696-S698 PolarHBondContact OG1-OG 2.84Å; S698-D713 WeakPolarHBondContact CB-OD1 3.12Å; S698-D713 WeakPolarHBondContact CB-OD2 3.46Å; S698-D713 PolarHBondContact OG-OD2 3.04Å
699Q87.6Confident89.9Confident95 Ų9527.8 Ų27.844%0.44415%0.151SC..EExtended strand (participates in β ladder)trans-80120.7162.8-61.1-169.115.600108.3V692 L697 L714V692-Q699 HydrophobicContact CG2-CG 4.37Å; L697-Q699 PolarHBondContact O-N 3.47Å; Q699-L714 HydrophobicContact CB-CB 4.33Å; Q699-L714 HydrophobicContact CB-CD1 4.17Å; Q699-L714 WeakPolarHBondContact O-CB 3.27Å; Q699-L714 PolarHBondContact O-N 3.13Å
700I90.5Very high89.8Confident2 Ų227.7 Ų27.71%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-120.8130.9-173.9-64.3177.7000108.9T690 W691 N693 L702 Y711 L712 D713 M759T690-I700 WeakPolarHBondContact CA-O 3.29Å; W691-I700 HydrophobicContact CE3-CB 4.46Å; W691-I700 HydrophobicContact CE3-CD1 3.9Å; W691-I700 HydrophobicContact CZ3-CD1 3.96Å; W691-I700 PolarHBondContact N-O 3.3Å; W691-I700 PolarHBondContact O-N 2.78Å; W691-I700 VanDerWaalsContact O-O 3.13Å; N693-I700 HydrophobicContact CB-CD1 4.08Å; I700-L702 HydrophobicContact CG2-CD2 3.78Å; I700-L702 HydrophobicContact CG2-CG 4.45Å; I700-Y711 HydrophobicContact CG2-CD2 4.21Å; I700-Y711 HydrophobicContact CG2-CG 4.27Å; I700-L712 WeakPolarHBondContact CA-O 3.49Å; I700-D713 HydrophobicContact CG1-CB 4.45Å; I700-M759 HydrophobicContact CD1-CE 4.29Å
701I92.8Very high89.8Confident0 Ų028.3 Ų28.30%015%0.152CC..EExtended strand (participates in β ladder)trans-98127.7165.4-52.9-179.4000107.9I677 T688 F703 Y711 L712 L714 V986 I1003I677-I701 HydrophobicContact CD1-CD1 3.73Å; T688-I701 HydrophobicContact CG2-CG2 4.44Å; I701-F703 HydrophobicContact CB-CE2 3.66Å; I701-F703 HydrophobicContact CB-CZ 3.79Å; I701-F703 HydrophobicContact CG2-CD2 4.19Å; I701-F703 HydrophobicContact CG2-CE1 3.91Å; I701-F703 HydrophobicContact CG2-CE2 3.56Å; I701-F703 HydrophobicContact CG2-CZ 3.41Å; I701-F703 VanDerWaalsContact CG2-CZ 3.41Å; I701-F703 WeakPolarHBondContact O-CD2 3.48Å; I701-F703 WeakPolarHBondContact O-CE2 3.16Å; I701-Y711 VanDerWaalsContact O-CA 3.28Å; I701-Y711 WeakPolarHBondContact O-CA 3.43Å; I701-L712 PolarHBondContact N-O 3.23Å; I701-L712 PolarHBondContact O-N 2.98Å; I701-L714 HydrophobicContact CD1-CD1 4.07Å; I701-L714 HydrophobicContact CD1-CD2 4.09Å; I701-L714 HydrophobicContact CD1-CG 4.47Å; I701-L714 HydrophobicContact CG1-CD1 3.99Å; I701-L714 HydrophobicContact CG1-CD2 4.37Å; I701-L714 HydrophobicContact CG1-CG 4.32Å; I701-V986 HydrophobicContact CD1-CG2 4.11Å; I701-V986 HydrophobicContact CG2-CG2 4.22Å; I701-I1003 HydrophobicContact CD1-CG2 3.92Å
702L95.4Very high89.5Confident2 Ų228 Ų281%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-97.5134.5173.7-57.6-179.5000109.1T688 A689 I700 Y710 L725 L733 V735 M740 L755T688-L702 WeakPolarHBondContact CA-O 3.24Å; A689-L702 PolarHBondContact N-O 3.14Å; A689-L702 VanDerWaalsContact N-O 3.12Å; A689-L702 PolarHBondContact O-N 2.81Å; I700-L702 HydrophobicContact CG2-CD2 3.78Å; I700-L702 HydrophobicContact CG2-CG 4.45Å; L702-Y710 WeakPolarHBondContact CA-O 3.37Å; L702-L725 HydrophobicContact CD2-CD2 4.22Å; L702-L733 HydrophobicContact CB-CD1 3.78Å; L702-L733 HydrophobicContact CD1-CD1 4.25Å; L702-V735 HydrophobicContact CD1-CG2 3.66Å; L702-M740 HydrophobicContact CD1-SD 3.7Å; L702-L755 HydrophobicContact CD1-CD1 4.02Å; L702-L755 HydrophobicContact CD1-CD2 3.89Å
703F95.3Very high89.3Confident0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-120.5108.9-176.9-59.8-95.8000109.8I677 V685 T688 I701 T705 I709 Y710 L712 L722 V986 L1001I677-F703 HydrophobicContact CD1-CZ 4.14Å; V685-F703 HydrophobicContact CG1-CB 4.4Å; V685-F703 HydrophobicContact CG1-CD1 4.11Å; V685-F703 HydrophobicContact CG2-CD1 4.17Å; T688-F703 HydrophobicContact CG2-CD1 3.4Å; T688-F703 HydrophobicContact CG2-CE1 3.77Å; T688-F703 HydrophobicContact CG2-CG 4.15Å; I701-F703 HydrophobicContact CB-CE2 3.66Å; I701-F703 HydrophobicContact CB-CZ 3.79Å; I701-F703 HydrophobicContact CG2-CD2 4.19Å; I701-F703 HydrophobicContact CG2-CE1 3.91Å; I701-F703 HydrophobicContact CG2-CE2 3.56Å; I701-F703 HydrophobicContact CG2-CZ 3.41Å; I701-F703 VanDerWaalsContact CG2-CZ 3.41Å; I701-F703 WeakPolarHBondContact O-CD2 3.48Å; I701-F703 WeakPolarHBondContact O-CE2 3.16Å; F703-T705 HydrophobicContact CB-CG2 4.28Å; F703-I709 CarbonylContact O-C 3.6Å; F703-I709 WeakPolarHBondContact O-CA 3.49Å; F703-Y710 PolarHBondContact N-O 3.36Å; F703-Y710 PolarHBondContact O-N 2.96Å; F703-L712 HydrophobicContact CE2-CB 3.84Å; F703-L722 HydrophobicContact CD2-CD2 3.47Å; F703-L722 VanDerWaalsContact CD2-CD2 3.47Å; F703-L722 HydrophobicContact CE2-CD2 3.64Å; F703-L722 HydrophobicContact CG-CD2 4.21Å; F703-L722 HydrophobicContact CZ-CD2 4.5Å; F703-V986 HydrophobicContact CE1-CG1 4.21Å; F703-L1001 HydrophobicContact CD1-CD1 4.16Å; F703-L1001 HydrophobicContact CE1-CD1 3.71Å; F703-L1001 HydrophobicContact CZ-CD1 4.15Å
704G95.5Very high89Confident0 Ų028 Ų280%015%0.149CC..EExtended strand (participates in β ladder)trans-81.8115.4171.800000109.4N686 S687 C730 L733N686-G704 PolarHBondContact N-O 2.98Å; S687-G704 PolarHBondContact N-O 2.81Å; S687-G704 PolarHBondContact O-N 2.92Å; G704-C730 CarbonylContact C-O 3.59Å; G704-L733 VanDerWaalsContact CA-CD2 3.45Å
705T95.1Very high88.2Confident0 Ų029.7 Ų29.70%016%0.158CC..EExtended strand (participates in β ladder)trans-122.3171.3-174.275.60000111.1L683 K684 V685 F703 D707 G708 Y710 C730L683-T705 HydrophobicContact CB-CG2 4Å; L683-T705 HydrophobicContact CD1-CG2 4.31Å; K684-T705 VanDerWaalsContact O-CA 3.24Å; K684-T705 WeakPolarHBondContact O-CA 3.37Å; K684-T705 WeakPolarHBondContact O-CB 3.18Å; V685-T705 HydrophobicContact CG2-CG2 4.21Å; F703-T705 HydrophobicContact CB-CG2 4.28Å; T705-D707 PolarHBondContact O-N 3.49Å; T705-D707 PolarHBondContact OG1-N 3.02Å; T705-G708 WeakPolarHBondContact CA-O 3.32Å; T705-G708 WeakPolarHBondContact CB-O 3.45Å; T705-G708 PolarHBondContact N-O 2.9Å; T705-G708 PolarHBondContact OG1-N 3.21Å; T705-G708 VanDerWaalsContact OG1-N 3.11Å; T705-G708 PolarHBondContact OG1-O 2.66Å; T705-Y710 HydrophobicContact CG2-CD2 3.93Å; T705-Y710 HydrophobicContact CG2-CE2 4.45Å; T705-Y710 WeakPolarHBondContact OG1-CE2 3.43Å; T705-C730 PolarHBondContact O-N 3.34Å
706N90.6Very high87.2Confident51 Ų5131.2 Ų31.227%0.27317%0.168SC..SBendtrans-61-25.5173.2-95.92.6000114.3K684 N686 R729K684-N706 PolarHBondContact O-N 3.12Å; N686-N706 PolarHBondContact ND2-N 2.85Å; N686-N706 PolarHBondContact ND2-OD1 3.05Å; N706-R729 VanDerWaalsContact O-CA 3.32Å; N706-R729 WeakPolarHBondContact O-CA 3.32Å; N706-R729 WeakPolarHBondContact O-CB 3.3Å; N706-R729 WeakPolarHBondContact O-CG 3.49Å; N706-R729 PolarHBondContact OD1-NE 2.77Å
707D87.9Confident86.1Confident86 Ų8630.2 Ų30.246%0.4616%0.159SC..SBendtrans-99.3-24.8-174.2-62.910.9000112.5R566 T705 Y710R566-D707 IonicContact CZ-OD2 3.35Å; R566-D707 IonicContact NH1-OD2 2.74Å; R566-D707 IonicContact NH2-OD2 3.14Å; R566-D707 PolarHBondContact NH2-OD2 3.32Å; T705-D707 PolarHBondContact O-N 3.49Å; T705-D707 PolarHBondContact OG1-N 3.02Å; D707-Y710 HydrophobicContact CB-CE2 4.44Å
708G92.8Very high84.2Confident0 Ų030.7 Ų30.70%017%0.174CC..  trans176.6174-170.200000114.1T705 V726 R728T705-G708 WeakPolarHBondContact CA-O 3.32Å; T705-G708 WeakPolarHBondContact CB-O 3.45Å; T705-G708 PolarHBondContact N-O 2.9Å; T705-G708 PolarHBondContact OG1-N 3.21Å; T705-G708 VanDerWaalsContact OG1-N 3.11Å; T705-G708 PolarHBondContact OG1-O 2.66Å; G708-V726 CarbonylContact C-O 3.52Å; G708-V726 WeakPolarHBondContact CA-O 3.37Å; G708-R728 VanDerWaalsContact CA-O 3.27Å; G708-R728 WeakPolarHBondContact CA-O 3.37Å
709I95.3Very high82.6Confident0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-93.6117.7162-53.1178.2000107.3F703 L725 V726 C730 M740F703-I709 CarbonylContact O-C 3.6Å; F703-I709 WeakPolarHBondContact O-CA 3.49Å; I709-L725 WeakPolarHBondContact O-CA 3.27Å; I709-L725 WeakPolarHBondContact O-CB 3.37Å; I709-L725 PolarHBondContact O-N 2.86Å; I709-V726 HydrophobicContact CB-CB 4.03Å; I709-V726 HydrophobicContact CB-CG2 4.32Å; I709-V726 HydrophobicContact CD1-CB 4.21Å; I709-V726 HydrophobicContact CD1-CG2 4.22Å; I709-V726 HydrophobicContact CG1-CB 4.18Å; I709-V726 PolarHBondContact N-O 3.44Å; I709-V726 PolarHBondContact O-N 3.39Å; I709-V726 VanDerWaalsContact O-N 3.1Å; I709-C730 HydrophobicContact CD1-CB 4.13Å; I709-C730 HydrophobicContact CG1-CB 3.51Å; I709-M740 HydrophobicContact CD1-CE 3.51Å; I709-M740 HydrophobicContact CD1-SD 3.92Å; I709-M740 HydrophobicContact CG2-CE 4.14Å; I709-M740 HydrophobicContact CG2-SD 4.03Å
710Y93.4Very high81.1Confident2 Ų232.5 Ų32.51%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-105.1165.8175.7-68.1-102.7000110.7I564 R566 L683 L702 F703 T705 D707 L722 E723 L724I564-Y710 HydrophobicContact CG2-CE1 3.78Å; R566-Y710 PolarHBondContact NE-OH 3.28Å; R566-Y710 PolarHBondContact NH2-OH 3.49Å; R566-Y710 VanDerWaalsContact NH2-OH 3.11Å; L683-Y710 HydrophobicContact CD1-CD1 3.99Å; L683-Y710 HydrophobicContact CD1-CD2 3.73Å; L683-Y710 HydrophobicContact CD1-CE1 4.02Å; L683-Y710 HydrophobicContact CD1-CE2 3.76Å; L683-Y710 HydrophobicContact CD1-CG 3.86Å; L683-Y710 HydrophobicContact CD2-CE2 4.02Å; L702-Y710 WeakPolarHBondContact CA-O 3.37Å; F703-Y710 PolarHBondContact N-O 3.36Å; F703-Y710 PolarHBondContact O-N 2.96Å; T705-Y710 HydrophobicContact CG2-CD2 3.93Å; T705-Y710 HydrophobicContact CG2-CE2 4.45Å; T705-Y710 WeakPolarHBondContact OG1-CE2 3.43Å; D707-Y710 HydrophobicContact CB-CE2 4.44Å; Y710-L722 HydrophobicContact CD1-CB 4.37Å; Y710-E723 CarbonylContact C-O 3.55Å; Y710-E723 WeakPolarHBondContact CA-O 3.44Å; Y710-L724 HydrophobicContact CD1-CB 4.06Å; Y710-L724 HydrophobicContact CD1-CD1 4.35Å; Y710-L724 HydrophobicContact CD2-CD1 4.15Å; Y710-L724 HydrophobicContact CE1-CB 3.8Å; Y710-L724 HydrophobicContact CE1-CD1 4.06Å; Y710-L724 HydrophobicContact CE1-CG 4.43Å; Y710-L724 HydrophobicContact CE2-CD1 3.84Å; Y710-L724 HydrophobicContact CG-CD1 4.4Å
711Y92Very high80Confident19 Ų1933.4 Ų33.48%0.07519%0.194CC..EExtended strand (participates in β ladder)trans-136.6156.6169.775.1-97.7000113.6I700 I701 L722 E723 L725 M759 R762I700-Y711 HydrophobicContact CG2-CD2 4.21Å; I700-Y711 HydrophobicContact CG2-CG 4.27Å; I701-Y711 VanDerWaalsContact O-CA 3.28Å; I701-Y711 WeakPolarHBondContact O-CA 3.43Å; Y711-L722 WeakPolarHBondContact O-CA 3.37Å; Y711-E723 HydrophobicContact CD1-CB 4.11Å; Y711-E723 HydrophobicContact CE1-CB 3.66Å; Y711-E723 HydrophobicContact CE2-CB 4.1Å; Y711-E723 HydrophobicContact CE2-CG 4.4Å; Y711-E723 VanDerWaalsContact CZ-OE1 3.25Å; Y711-E723 PolarHBondContact N-O 3.12Å; Y711-E723 PolarHBondContact O-N 3.14Å; Y711-E723 PolarHBondContact OH-OE1 2.82Å; Y711-L725 HydrophobicContact CD1-CB 4.11Å; Y711-L725 HydrophobicContact CD1-CD1 4.19Å; Y711-L725 HydrophobicContact CE1-CD1 4.19Å; Y711-M759 HydrophobicContact CD1-SD 4.35Å; Y711-M759 HydrophobicContact CE1-CE 4.05Å; Y711-M759 HydrophobicContact CE1-SD 3.9Å; Y711-M759 HydrophobicContact CE2-CE 4.09Å; Y711-R762 PolarHBondContact OH-NH1 3.27Å
712L88.9Confident79.6Confident2 Ų233.5 Ų33.51%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-127.9128.9169.5-178.167000109.1I677 I700 I701 F703 L714 L717 T721 L722I677-L712 HydrophobicContact CB-CD2 4.11Å; I677-L712 HydrophobicContact CD1-CD2 4.09Å; I677-L712 HydrophobicContact CG1-CD2 4.45Å; I700-L712 WeakPolarHBondContact CA-O 3.49Å; I701-L712 PolarHBondContact N-O 3.23Å; I701-L712 PolarHBondContact O-N 2.98Å; F703-L712 HydrophobicContact CE2-CB 3.84Å; L712-L714 HydrophobicContact CD2-CD2 4.12Å; L712-L714 HydrophobicContact CG-CD2 4.47Å; L712-L717 HydrophobicContact CD1-CD2 4.4Å; L712-T721 VanDerWaalsContact CD1-O 3.26Å; L712-T721 WeakPolarHBondContact CD1-O 3.13Å; L712-L722 HydrophobicContact CB-CD2 4.04Å
713D85.8Confident79.2Confident25 Ų2535.4 Ų35.413%0.13420%0.203CC..EExtended strand (participates in β ladder)trans-90.6113171.8-175.7-24000110S698 I700 V715 N716 L717S698-D713 WeakPolarHBondContact CB-OD1 3.12Å; S698-D713 WeakPolarHBondContact CB-OD2 3.46Å; S698-D713 PolarHBondContact OG-OD2 3.04Å; I700-D713 HydrophobicContact CG1-CB 4.45Å; D713-V715 VanDerWaalsContact C-N 3.27Å; D713-V715 PolarHBondContact O-N 3.22Å; D713-V715 WeakPolarHBondContact OD1-CA 3.32Å; D713-V715 WeakPolarHBondContact OD1-CB 3.48Å; D713-V715 PolarHBondContact OD1-N 3.4Å; D713-N716 HydrophobicContact CB-CB 4.29Å; D713-N716 PolarHBondContact OD1-N 3.16Å; D713-N716 PolarHBondContact OD2-ND2 3.12Å; D713-L717 PolarHBondContact O-N 3.38Å
714L78.8Confident78.9Confident31 Ų3137.2 Ų37.216%0.16221%0.212CC..SBendtrans-74.1-14.8-178.5-56.9174.4000113.4I677 Q699 I701 L712 L717I677-L714 HydrophobicContact CG2-CD2 4.22Å; Q699-L714 HydrophobicContact CB-CB 4.33Å; Q699-L714 HydrophobicContact CB-CD1 4.17Å; Q699-L714 WeakPolarHBondContact O-CB 3.27Å; Q699-L714 PolarHBondContact O-N 3.13Å; I701-L714 HydrophobicContact CD1-CD1 4.07Å; I701-L714 HydrophobicContact CD1-CD2 4.09Å; I701-L714 HydrophobicContact CD1-CG 4.47Å; I701-L714 HydrophobicContact CG1-CD1 3.99Å; I701-L714 HydrophobicContact CG1-CD2 4.37Å; I701-L714 HydrophobicContact CG1-CG 4.32Å; L712-L714 HydrophobicContact CD2-CD2 4.12Å; L712-L714 HydrophobicContact CG-CD2 4.47Å; L714-L717 WeakPolarHBondContact O-CD1 3.16Å
715V69.7Low78.7Confident94 Ų9437.8 Ų37.857%0.5722%0.216SC*.SBendtrans-92-35.6177.9-178.40000110.6D713D713-V715 VanDerWaalsContact C-N 3.27Å; D713-V715 PolarHBondContact O-N 3.22Å; D713-V715 WeakPolarHBondContact OD1-CA 3.32Å; D713-V715 WeakPolarHBondContact OD1-CB 3.48Å; D713-V715 PolarHBondContact OD1-N 3.4Å
716N59Low78.5Confident93 Ų9338.1 Ų38.150%0.49722%0.217SC..  trans-99.535.4177-63-62.7000113.2D713 A718 D719D713-N716 HydrophobicContact CB-CB 4.29Å; D713-N716 PolarHBondContact OD1-N 3.16Å; D713-N716 PolarHBondContact OD2-ND2 3.12Å; N716-A718 PolarHBondContact O-N 3.09Å; N716-D719 PolarHBondContact O-N 3.1Å
717L57.4Low78.6Confident54 Ų5440.5 Ų40.528%0.28324%0.236SC..THydrogen-bonded Turntrans-53.7-11.7173.9-80.1169.2000115.1L712 D713 L714 D719 G720L712-L717 HydrophobicContact CD1-CD2 4.4Å; D713-L717 PolarHBondContact O-N 3.38Å; L714-L717 WeakPolarHBondContact O-CD1 3.16Å; L717-D719 PolarHBondContact O-N 3.48Å; L717-G720 WeakPolarHBondContact O-CA 3.47Å; L717-G720 PolarHBondContact O-N 2.89Å; L717-G720 VanDerWaalsContact O-N 3.09Å
718A42.2Very low78.6Confident86 Ų8642.8 Ų42.871%0.71124%0.238SC*.THydrogen-bonded Turntrans-57.3-33.8176.900000113.8N716N716-A718 PolarHBondContact O-N 3.09Å
719D47.9Very low78.7Confident131 Ų13146.3 Ų46.370%0.70125%0.251SS*.THydrogen-bonded Turntrans-92.7-18.5174.8-66.6-42.6000112.5N716 L717 T721N716-D719 PolarHBondContact O-N 3.1Å; L717-D719 PolarHBondContact O-N 3.48Å; D719-T721 VanDerWaalsContact O-CG2 3.26Å; D719-T721 WeakPolarHBondContact O-CG2 3.46Å; D719-T721 PolarHBondContact O-N 3.47Å
720G56.1Low78.7Confident4 Ų446.3 Ų46.34%0.04125%0.251CS..  trans50.755.8169.300000114.4I562 K563 L717I562-G720 CarbonylContact C-O 3.52Å; I562-G720 WeakPolarHBondContact CA-O 3.44Å; I562-G720 WeakPolarHBondContact CB-O 3.23Å; I562-G720 WeakPolarHBondContact CG1-O 3.15Å; I562-G720 WeakPolarHBondContact CG2-O 3.11Å; K563-G720 PolarHBondContact N-O 3.14Å; K563-G720 VanDerWaalsContact N-O 3.09Å; L717-G720 WeakPolarHBondContact O-CA 3.47Å; L717-G720 PolarHBondContact O-N 2.89Å; L717-G720 VanDerWaalsContact O-N 3.09Å
721T69Low78.6Confident22 Ų2246.9 Ų46.914%0.13525%0.254CS..EExtended strand (participates in β ladder)trans-126.1145.1-177.858.50000114.9K563 I565 L712 D719K563-T721 HydrophobicContact CB-CG2 3.88Å; K563-T721 CarbonylContact O-C 3.53Å; K563-T721 WeakPolarHBondContact O-CA 3.49Å; K563-T721 VanDerWaalsContact O-CB 3.22Å; K563-T721 WeakPolarHBondContact O-CB 3.33Å; K563-T721 WeakPolarHBondContact O-CG2 3.43Å; I565-T721 HydrophobicContact CD1-CG2 3.83Å; I565-T721 HydrophobicContact CG1-CG2 4.05Å; L712-T721 VanDerWaalsContact CD1-O 3.26Å; L712-T721 WeakPolarHBondContact CD1-O 3.13Å; D719-T721 VanDerWaalsContact O-CG2 3.26Å; D719-T721 WeakPolarHBondContact O-CG2 3.46Å; D719-T721 PolarHBondContact O-N 3.47Å
722L83.8Confident78.8Confident1 Ų147 Ų471%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-90.2107161.9-86.6173.1000108K563 I564 I565 F678 L683 F703 Y710 Y711 L712 L1001K563-L722 PolarHBondContact O-N 2.88Å; I564-L722 WeakPolarHBondContact CA-O 3.4Å; I564-L722 HydrophobicContact CG1-CB 4.16Å; I565-L722 PolarHBondContact N-O 2.84Å; F678-L722 HydrophobicContact CD2-CB 4.41Å; F678-L722 HydrophobicContact CD2-CD1 3.53Å; F678-L722 HydrophobicContact CD2-CG 3.57Å; F678-L722 HydrophobicContact CE1-CD1 4.4Å; F678-L722 HydrophobicContact CE2-CB 3.71Å; F678-L722 HydrophobicContact CE2-CD1 3.34Å; F678-L722 HydrophobicContact CE2-CG 3.35Å; F678-L722 HydrophobicContact CG-CD1 4.14Å; F678-L722 HydrophobicContact CZ-CB 4.41Å; F678-L722 HydrophobicContact CZ-CD1 3.82Å; F678-L722 HydrophobicContact CZ-CG 4.24Å; L683-L722 HydrophobicContact CD1-CD1 4.13Å; F703-L722 HydrophobicContact CD2-CD2 3.47Å; F703-L722 VanDerWaalsContact CD2-CD2 3.47Å; F703-L722 HydrophobicContact CE2-CD2 3.64Å; F703-L722 HydrophobicContact CG-CD2 4.21Å; F703-L722 HydrophobicContact CZ-CD2 4.5Å; Y710-L722 HydrophobicContact CD1-CB 4.37Å; Y711-L722 WeakPolarHBondContact O-CA 3.37Å; L712-L722 HydrophobicContact CB-CD2 4.04Å; L722-L1001 HydrophobicContact CD1-CD1 4.06Å
723E86.5Confident79.1Confident43 Ų4347.1 Ų47.120%0.20126%0.255CS..EExtended strand (participates in β ladder)trans-96.4136.8-178.8-67.6-161.5-98.400111.6I565 Y710 Y711 L725 R762I565-E723 HydrophobicContact CB-CG 4.39Å; I565-E723 HydrophobicContact CD1-CG 4.28Å; Y710-E723 CarbonylContact C-O 3.55Å; Y710-E723 WeakPolarHBondContact CA-O 3.44Å; Y711-E723 HydrophobicContact CD1-CB 4.11Å; Y711-E723 HydrophobicContact CE1-CB 3.66Å; Y711-E723 HydrophobicContact CE2-CB 4.1Å; Y711-E723 HydrophobicContact CE2-CG 4.4Å; Y711-E723 VanDerWaalsContact CZ-OE1 3.25Å; Y711-E723 PolarHBondContact N-O 3.12Å; Y711-E723 PolarHBondContact O-N 3.14Å; Y711-E723 PolarHBondContact OH-OE1 2.82Å; E723-L725 PolarHBondContact O-N 2.89Å; E723-R762 IonicContact OE1-NH1 3.92Å; E723-R762 IonicContact OE2-CZ 3.72Å; E723-R762 VanDerWaalsContact OE2-CZ 3.23Å; E723-R762 IonicContact OE2-NH1 2.68Å; E723-R762 PolarHBondContact OE2-NH1 3.44Å; E723-R762 IonicContact OE2-NH2 2.73Å; E723-R762 PolarHBondContact OE2-NH2 2.86Å
724L89.3Confident79.6Confident37 Ų3747 Ų4719%0.19425%0.253CS..EExtended strand (participates in β ladder)trans-75.6117.1178.4-177.756.5000111.5I565 Y710 V726 P727I565-L724 PolarHBondContact O-N 3.25Å; Y710-L724 HydrophobicContact CD1-CB 4.06Å; Y710-L724 HydrophobicContact CD1-CD1 4.35Å; Y710-L724 HydrophobicContact CD2-CD1 4.15Å; Y710-L724 HydrophobicContact CE1-CB 3.8Å; Y710-L724 HydrophobicContact CE1-CD1 4.06Å; Y710-L724 HydrophobicContact CE1-CG 4.43Å; Y710-L724 HydrophobicContact CE2-CD1 3.84Å; Y710-L724 HydrophobicContact CG-CD1 4.4Å; L724-V726 WeakPolarHBondContact CD1-O 3.45Å; L724-P727 HydrophobicContact CD2-CB 4.15Å
725L90.9Very high80.4Confident13 Ų1346 Ų467%0.06825%0.248CC..EExtended strand (participates in β ladder)trans-93.6-40.2177.6-166.862000113L702 I709 Y711 E723 L755 L758 M759L702-L725 HydrophobicContact CD2-CD2 4.22Å; I709-L725 WeakPolarHBondContact O-CA 3.27Å; I709-L725 WeakPolarHBondContact O-CB 3.37Å; I709-L725 PolarHBondContact O-N 2.86Å; Y711-L725 HydrophobicContact CD1-CB 4.11Å; Y711-L725 HydrophobicContact CD1-CD1 4.19Å; Y711-L725 HydrophobicContact CE1-CD1 4.19Å; E723-L725 PolarHBondContact O-N 2.89Å; L725-L755 HydrophobicContact CD2-CD2 4.03Å; L725-L758 HydrophobicContact CD1-CB 4.03Å; L725-L758 HydrophobicContact CD2-CD1 4.3Å; L725-L758 HydrophobicContact CG-CB 4.41Å; L725-L758 HydrophobicContact CG-CD1 4.28Å; L725-M759 HydrophobicContact CD1-SD 3.69Å
726V92Very high81.5Confident6 Ų644.1 Ų44.14%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-138.9115.1-179-174.20000109.4G708 I709 L724 R728 M740 L758G708-V726 CarbonylContact C-O 3.52Å; G708-V726 WeakPolarHBondContact CA-O 3.37Å; I709-V726 HydrophobicContact CB-CB 4.03Å; I709-V726 HydrophobicContact CB-CG2 4.32Å; I709-V726 HydrophobicContact CD1-CB 4.21Å; I709-V726 HydrophobicContact CD1-CG2 4.22Å; I709-V726 HydrophobicContact CG1-CB 4.18Å; I709-V726 PolarHBondContact N-O 3.44Å; I709-V726 PolarHBondContact O-N 3.39Å; I709-V726 VanDerWaalsContact O-N 3.1Å; L724-V726 WeakPolarHBondContact CD1-O 3.45Å; V726-R728 HydrophobicContact CG1-CB 4.12Å; V726-R728 HydrophobicContact CG1-CG 4.08Å; V726-R728 PolarHBondContact O-N 2.93Å; V726-M740 HydrophobicContact CG2-CE 4.46Å; V726-L758 HydrophobicContact CG2-CD1 4.07Å
727P91Very high83Confident101 Ų10143.7 Ų43.766%0.65623%0.227SC*.  trans-78.559.7179.633.9-37000111.6L724L724-P727 HydrophobicContact CD2-CB 4.15Å
728R89.4Confident84.7Confident135 Ų13543 Ų4351%0.50922%0.223SC..SBendtrans-144.7131.2176.7-59.5-176.4-170.8-85.1-0.9109.7G708 V726 C730G708-R728 VanDerWaalsContact CA-O 3.27Å; G708-R728 WeakPolarHBondContact CA-O 3.37Å; V726-R728 HydrophobicContact CG1-CB 4.12Å; V726-R728 HydrophobicContact CG1-CG 4.08Å; V726-R728 PolarHBondContact O-N 2.93Å; R728-C730 PolarHBondContact O-N 2.88Å
729R93.3Very high87.2Confident73 Ų7339.1 Ų39.128%0.27519%0.191SC..  trans-40.8128.5168.7179.2161.9-175.7-140.3-4.3110.8N706 L731 S744 G745N706-R729 VanDerWaalsContact O-CA 3.32Å; N706-R729 WeakPolarHBondContact O-CA 3.32Å; N706-R729 WeakPolarHBondContact O-CB 3.3Å; N706-R729 WeakPolarHBondContact O-CG 3.49Å; N706-R729 PolarHBondContact OD1-NE 2.77Å; R729-L731 HydrophobicContact CG-CD2 4.39Å; R729-S744 CarbonylContact O-C 3.59Å; R729-S744 WeakPolarHBondContact O-CA 3.48Å; R729-S744 VanDerWaalsContact O-CB 3.29Å; R729-S744 WeakPolarHBondContact O-CB 3.11Å; R729-S744 PolarHBondContact O-OG 3.42Å; R729-S744 VanDerWaalsContact O-OG 3.08Å; R729-G745 PolarHBondContact O-N 3.38Å
730C95.5Very high89.5Confident0 Ų032.9 Ų32.90%016%0.157CC..EExtended strand (participates in β ladder)trans-130.1125.8-178.6179.80000109.8N686 G704 T705 I709 R728 W732 S744N686-C730 PolarHBondContact ND2-O 2.72Å; G704-C730 CarbonylContact C-O 3.59Å; T705-C730 PolarHBondContact O-N 3.34Å; I709-C730 HydrophobicContact CD1-CB 4.13Å; I709-C730 HydrophobicContact CG1-CB 3.51Å; R728-C730 PolarHBondContact O-N 2.88Å; C730-W732 PolarHBondContact SG-O 2.82Å; C730-S744 WeakPolarHBondContact CA-OG 3.45Å; C730-S744 WeakPolarHBondContact CB-OG 3.39Å
731L92.8Very high91.5Very high14 Ų1432.7 Ų32.77%0.07316%0.156CC..EExtended strand (participates in β ladder)trans-100.6-36.4-175.9-59177.7000111.9F377 N686 S687 R729 I743 P748F377-L731 HydrophobicContact CB-CD1 4.01Å; F377-L731 HydrophobicContact CB-CD2 4.47Å; F377-L731 HydrophobicContact CD1-CD1 3.57Å; F377-L731 HydrophobicContact CD2-CD1 4.14Å; F377-L731 HydrophobicContact CE1-CD1 4.06Å; F377-L731 HydrophobicContact CG-CD1 3.63Å; N686-L731 WeakPolarHBondContact CB-O 3.39Å; S687-L731 WeakPolarHBondContact CB-O 3.19Å; R729-L731 HydrophobicContact CG-CD2 4.39Å; L731-I743 HydrophobicContact CB-CG2 4.3Å; L731-I743 HydrophobicContact CD1-CG2 4.23Å; L731-I743 PolarHBondContact N-O 3.37Å; L731-P748 HydrophobicContact CD1-CB 3.99Å; L731-P748 HydrophobicContact CD1-CG 3.62Å
732W95.2Very high92.8Very high21 Ų2131.7 Ų31.78%0.0815%0.149CC..EExtended strand (participates in β ladder)trans-144.9141.6-179.4173.592000108.6C730 F734 M741 S742 I743 L750 A788 V790 L801C730-W732 PolarHBondContact SG-O 2.82Å; W732-F734 HydrophobicContact CH2-CB 3.5Å; W732-F734 HydrophobicContact CH2-CG 4.38Å; W732-F734 HydrophobicContact CZ2-CB 3.51Å; W732-F734 HydrophobicContact CZ2-CG 4.36Å; W732-F734 HydrophobicContact CZ3-CB 4.19Å; W732-M741 HydrophobicContact CH2-CB 4.37Å; W732-M741 HydrophobicContact CZ3-CB 3.98Å; W732-S742 CarbonylContact O-C 3.55Å; W732-S742 VanDerWaalsContact O-CA 3.23Å; W732-S742 WeakPolarHBondContact O-CA 3.3Å; W732-I743 HydrophobicContact CB-CB 4.23Å; W732-I743 HydrophobicContact CB-CD1 4.1Å; W732-I743 HydrophobicContact CB-CG1 4.41Å; W732-I743 HydrophobicContact CE3-CD1 4.35Å; W732-I743 HydrophobicContact CE3-CG1 4.12Å; W732-I743 HydrophobicContact CG-CD1 4.49Å; W732-I743 PolarHBondContact O-N 3.09Å; W732-L750 HydrophobicContact CZ3-CD2 4.25Å; W732-A788 HydrophobicContact CD2-CB 3.99Å; W732-A788 HydrophobicContact CE3-CB 3.87Å; W732-A788 HydrophobicContact CH2-CB 3.88Å; W732-A788 HydrophobicContact CZ2-CB 4.01Å; W732-A788 HydrophobicContact CZ3-CB 3.81Å; W732-A788 PolarHBondContact NE1-O 3.33Å; W732-V790 HydrophobicContact CH2-CG2 3.96Å; W732-V790 HydrophobicContact CZ2-CG2 4.03Å; W732-L801 HydrophobicContact CH2-CD1 3.84Å; W732-L801 HydrophobicContact CH2-CG 4.31Å; W732-L801 HydrophobicContact CZ3-CD1 4.24Å
733L95.8Very high93.4Very high5 Ų531.7 Ų31.73%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-143.4155.3168.273.3112000112.1S687 A689 L702 G704 V735 M740 M741S687-L733 PolarHBondContact OG-N 2.92Å; S687-L733 VanDerWaalsContact OG-N 3.12Å; A689-L733 HydrophobicContact CB-CD1 3.49Å; A689-L733 VanDerWaalsContact CB-CD1 3.49Å; A689-L733 HydrophobicContact CB-CG 4.39Å; L702-L733 HydrophobicContact CB-CD1 3.78Å; L702-L733 HydrophobicContact CD1-CD1 4.25Å; G704-L733 VanDerWaalsContact CA-CD2 3.45Å; L733-V735 HydrophobicContact CD1-CG2 4.5Å; L733-M740 HydrophobicContact CB-CG 4.27Å; L733-M740 HydrophobicContact CB-SD 4.26Å; L733-M740 HydrophobicContact CD1-CG 4.26Å; L733-M740 HydrophobicContact CD1-SD 3.86Å; L733-M741 CarbonylContact C-O 3.59Å; L733-M741 VanDerWaalsContact CA-O 3.25Å; L733-M741 WeakPolarHBondContact CA-O 3.48Å
734F95.7Very high93.8Very high22 Ų2229.7 Ų29.710%0.09614%0.14CC..EExtended strand (participates in β ladder)trans-149.2138.3178.6169.7-95.8000110.1W732 F736 M740 M741 V790 F821W732-F734 HydrophobicContact CH2-CB 3.5Å; W732-F734 HydrophobicContact CH2-CG 4.38Å; W732-F734 HydrophobicContact CZ2-CB 3.51Å; W732-F734 HydrophobicContact CZ2-CG 4.36Å; W732-F734 HydrophobicContact CZ3-CB 4.19Å; F734-F736 HydrophobicContact CE1-CB 3.69Å; F734-F736 HydrophobicContact CZ-CB 4.11Å; F734-M740 CarbonylContact O-C 3.58Å; F734-M740 WeakPolarHBondContact O-CA 2.99Å; F734-M741 PolarHBondContact N-O 2.94Å; F734-M741 PolarHBondContact O-N 3.42Å; F734-V790 HydrophobicContact CB-CG2 4.43Å; F734-V790 HydrophobicContact CD1-CB 4.14Å; F734-V790 HydrophobicContact CD1-CG1 4.26Å; F734-V790 HydrophobicContact CD1-CG2 3.59Å; F734-V790 HydrophobicContact CD2-CB 4.29Å; F734-V790 HydrophobicContact CD2-CG2 4.34Å; F734-V790 HydrophobicContact CE1-CB 3.96Å; F734-V790 HydrophobicContact CE1-CG1 3.62Å; F734-V790 HydrophobicContact CE1-CG2 3.85Å; F734-V790 HydrophobicContact CE2-CB 4.15Å; F734-V790 HydrophobicContact CE2-CG1 4.29Å; F734-V790 HydrophobicContact CG-CB 4.28Å; F734-V790 HydrophobicContact CG-CG2 3.84Å; F734-V790 HydrophobicContact CZ-CB 3.97Å; F734-V790 HydrophobicContact CZ-CG1 3.65Å; F734-V790 HydrophobicContact CZ-CG2 4.34Å; F734-F821 HydrophobicContact CD1-CE2 4.46Å; F734-F821 HydrophobicContact CE1-CE2 4.23Å; F734-F821 HydrophobicContact CE1-CZ 4.15Å
735V95.2Very high93.8Very high10 Ų1028.7 Ų28.76%0.06114%0.138CC..EExtended strand (participates in β ladder)trans-110.8133.6-179.1-176.70000110.7A689 W691 L702 L733 K737 M740 L755A689-V735 HydrophobicContact CB-CG2 3.95Å; W691-V735 HydrophobicContact CB-CG1 4.12Å; W691-V735 HydrophobicContact CG-CG1 4.16Å; L702-V735 HydrophobicContact CD1-CG2 3.66Å; L733-V735 HydrophobicContact CD1-CG2 4.5Å; V735-K737 WeakPolarHBondContact CG1-O 3.39Å; V735-M740 HydrophobicContact CG2-CB 4.15Å; V735-M740 HydrophobicContact CG2-CG 4.5Å; V735-L755 HydrophobicContact CG1-CD1 3.77Å; V735-L755 HydrophobicContact CG2-CD1 4.14Å
736F92.6Very high93.5Very high56 Ų5635.4 Ų35.425%0.24617%0.17CC..EExtended strand (participates in β ladder)trans-139.2129.1163.1-172.8-125.7000111.8F734 D738 T739 K799 W814F734-F736 HydrophobicContact CE1-CB 3.69Å; F734-F736 HydrophobicContact CZ-CB 4.11Å; F736-D738 PolarHBondContact O-N 3.4Å; F736-T739 PolarHBondContact N-O 2.88Å; F736-T739 PolarHBondContact O-N 3.27Å; F736-T739 VanDerWaalsContact O-N 3.07Å; F736-K799 HydrophobicContact CD1-CD 4Å; F736-K799 HydrophobicContact CD2-CD 4Å; F736-K799 HydrophobicContact CE1-CD 3.94Å; F736-K799 HydrophobicContact CE1-CG 4.43Å; F736-K799 HydrophobicContact CE2-CD 3.95Å; F736-K799 HydrophobicContact CG-CD 4.03Å; F736-K799 HydrophobicContact CZ-CD 3.92Å; F736-K799 HydrophobicContact CZ-CG 4.48Å; F736-W814 HydrophobicContact CB-CZ3 4.48Å; F736-W814 AromaticContact CD1-CD2 3.51Å; F736-W814 HydrophobicContact CD1-CD2 3.51Å; F736-W814 AromaticContact CD1-CE2 3.64Å; F736-W814 AromaticContact CD1-CE3 3.73Å; F736-W814 HydrophobicContact CD1-CE3 3.73Å; F736-W814 AromaticContact CD1-CG 3.95Å; F736-W814 HydrophobicContact CD1-CG 3.95Å; F736-W814 HydrophobicContact CD1-CH2 4.11Å; F736-W814 AromaticContact CD1-CZ2 3.95Å; F736-W814 HydrophobicContact CD1-CZ2 3.95Å; F736-W814 HydrophobicContact CD1-CZ3 4.01Å; F736-W814 AromaticContact CE1-CD1 3.78Å; F736-W814 AromaticContact CE1-CD2 3.78Å; F736-W814 HydrophobicContact CE1-CD2 3.78Å; F736-W814 AromaticContact CE1-CE2 3.69Å; F736-W814 HydrophobicContact CE1-CE3 4.45Å; F736-W814 AromaticContact CE1-CG 3.81Å; F736-W814 HydrophobicContact CE1-CG 3.81Å; F736-W814 HydrophobicContact CE1-CZ2 4.26Å; F736-W814 AromaticContact CE1-NE1 3.71Å
737K91.3Very high93.4Very high84 Ų8440.5 Ų40.537%0.36519%0.193SC..THydrogen-bonded Turntrans48.3-119.9-158.5-49.7-172.1-162174.60108.7W691 V735 W814 N816 N819W691-K737 VanDerWaalsContact CD1-O 3.31Å; W691-K737 PolarHBondContact NE1-O 3.11Å; V735-K737 WeakPolarHBondContact CG1-O 3.39Å; K737-W814 HydrophobicContact CD-CZ2 3.88Å; K737-W814 HydrophobicContact CG-CZ2 4.14Å; K737-N816 PolarHBondContact NZ-OD1 3.13Å; K737-N819 PolarHBondContact NZ-OD1 2.89Å
738D93.2Very high93.4Very high38 Ų3836.4 Ų36.420%0.20317%0.166CC..THydrogen-bonded Turntrans-107.617.6-177.2-46.4-62.5000112.7W691 P694 F736 L755 I756W691-D738 HydrophobicContact CZ2-CB 4.46Å; W691-D738 PolarHBondContact NE1-OD1 2.84Å; P694-D738 VanDerWaalsContact CD-OD1 3.25Å; P694-D738 WeakPolarHBondContact CD-OD1 3.29Å; P694-D738 WeakPolarHBondContact CG-OD1 3.41Å; F736-D738 PolarHBondContact O-N 3.4Å; D738-L755 PolarHBondContact O-N 2.8Å; D738-I756 HydrophobicContact CB-CD1 3.8Å; D738-I756 HydrophobicContact CB-CG1 4Å
739T94.7Very high93.6Very high5 Ų530.5 Ų30.53%0.03114%0.144CC..EExtended strand (participates in β ladder)trans-112.5113.3178.2-59.30000109.7F736 M741 S752 H753 W814 N819F736-T739 PolarHBondContact N-O 2.88Å; F736-T739 PolarHBondContact O-N 3.27Å; F736-T739 VanDerWaalsContact O-N 3.07Å; T739-M741 HydrophobicContact CG2-SD 4.25Å; T739-S752 WeakPolarHBondContact CG2-OG 3.44Å; T739-H753 WeakPolarHBondContact CA-O 3.38Å; T739-W814 HydrophobicContact CG2-CZ3 4.36Å; T739-N819 PolarHBondContact OG1-O 2.83Å
740M96.7Very high93.8Very high0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-87.3123.2166.8169177.567.600108.4L702 I709 V726 L733 F734 V735 H753 L755L702-M740 HydrophobicContact CD1-SD 3.7Å; I709-M740 HydrophobicContact CD1-CE 3.51Å; I709-M740 HydrophobicContact CD1-SD 3.92Å; I709-M740 HydrophobicContact CG2-CE 4.14Å; I709-M740 HydrophobicContact CG2-SD 4.03Å; V726-M740 HydrophobicContact CG2-CE 4.46Å; L733-M740 HydrophobicContact CB-CG 4.27Å; L733-M740 HydrophobicContact CB-SD 4.26Å; L733-M740 HydrophobicContact CD1-CG 4.26Å; L733-M740 HydrophobicContact CD1-SD 3.86Å; F734-M740 CarbonylContact O-C 3.58Å; F734-M740 WeakPolarHBondContact O-CA 2.99Å; V735-M740 HydrophobicContact CG2-CB 4.15Å; V735-M740 HydrophobicContact CG2-CG 4.5Å; M740-H753 HydrophobicContact CB-CB 4.13Å; M740-H753 HydrophobicContact CE-CB 3.72Å; M740-H753 PolarHBondContact N-O 3.37Å; M740-H753 WeakPolarHBondContact O-CB 3.48Å; M740-H753 PolarHBondContact O-CD2 3.03Å; M740-H753 PolarHBondContact O-N 3.11Å; M740-L755 HydrophobicContact CB-CD1 4.12Å; M740-L755 HydrophobicContact CB-CD2 3.78Å; M740-L755 HydrophobicContact CB-CG 3.99Å; M740-L755 HydrophobicContact CE-CD2 3.99Å; M740-L755 HydrophobicContact SD-CD2 4.32Å
741M96.9Very high93.8Very high1 Ų128.1 Ų28.11%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-88.5142.3160.5-59.3-59.9-61.300108W732 L733 F734 T739 F751 V779 L801 F821W732-M741 HydrophobicContact CH2-CB 4.37Å; W732-M741 HydrophobicContact CZ3-CB 3.98Å; L733-M741 CarbonylContact C-O 3.59Å; L733-M741 VanDerWaalsContact CA-O 3.25Å; L733-M741 WeakPolarHBondContact CA-O 3.48Å; F734-M741 PolarHBondContact N-O 2.94Å; F734-M741 PolarHBondContact O-N 3.42Å; T739-M741 HydrophobicContact CG2-SD 4.25Å; M741-F751 CarbonylContact C-O 3.55Å; M741-F751 WeakPolarHBondContact CA-O 3.43Å; M741-V779 HydrophobicContact CE-CG2 4.01Å; M741-L801 HydrophobicContact CB-CD1 3.86Å; M741-L801 HydrophobicContact CE-CD1 4.22Å; M741-L801 HydrophobicContact CG-CD1 3.7Å; M741-F821 HydrophobicContact CG-CD2 3.55Å; M741-F821 HydrophobicContact CG-CE2 3.92Å; M741-F821 HydrophobicContact SD-CB 4.48Å; M741-F821 HydrophobicContact SD-CD2 3.88Å
742S97Very high93.9Very high0 Ų028.4 Ų28.40%014%0.139CC..EExtended strand (participates in β ladder)trans-139.3152172.276.40000112.1W732 S744 L750 F751 H753W732-S742 CarbonylContact O-C 3.55Å; W732-S742 VanDerWaalsContact O-CA 3.23Å; W732-S742 WeakPolarHBondContact O-CA 3.3Å; S742-S744 PolarHBondContact OG-OG 2.7Å; S742-L750 CarbonylContact O-C 3.49Å; S742-L750 VanDerWaalsContact O-CA 3.28Å; S742-L750 WeakPolarHBondContact O-CA 3.28Å; S742-F751 PolarHBondContact N-O 2.78Å; S742-F751 PolarHBondContact O-N 2.96Å; S742-H753 PolarHBondContact OG-NE2 2.99Å
743I97.1Very high93.9Very high1 Ų127.4 Ų27.41%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-94.7109.4158.9-67.8167.7000106.7L731 W732 P748 Q749 L750 C785 A788L731-I743 HydrophobicContact CB-CG2 4.3Å; L731-I743 HydrophobicContact CD1-CG2 4.23Å; L731-I743 PolarHBondContact N-O 3.37Å; W732-I743 HydrophobicContact CB-CB 4.23Å; W732-I743 HydrophobicContact CB-CD1 4.1Å; W732-I743 HydrophobicContact CB-CG1 4.41Å; W732-I743 HydrophobicContact CE3-CD1 4.35Å; W732-I743 HydrophobicContact CE3-CG1 4.12Å; W732-I743 HydrophobicContact CG-CD1 4.49Å; W732-I743 PolarHBondContact O-N 3.09Å; I743-P748 HydrophobicContact CG2-CB 3.66Å; I743-Q749 WeakPolarHBondContact CA-O 3.26Å; I743-L750 HydrophobicContact CG1-CD2 3.76Å; I743-L750 HydrophobicContact CG1-CG 4.37Å; I743-C785 VanDerWaalsContact CG2-O 3.24Å; I743-C785 WeakPolarHBondContact CG2-O 3.24Å; I743-A788 HydrophobicContact CD1-CB 3.6Å; I743-A788 HydrophobicContact CG1-CB 4.3Å
744S94.4Very high93.8Very high1 Ų130 Ų301%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-138.6162.8-171.8-87.70000114.2R729 C730 S742 Q749 F751R729-S744 CarbonylContact O-C 3.59Å; R729-S744 WeakPolarHBondContact O-CA 3.48Å; R729-S744 VanDerWaalsContact O-CB 3.29Å; R729-S744 WeakPolarHBondContact O-CB 3.11Å; R729-S744 PolarHBondContact O-OG 3.42Å; R729-S744 VanDerWaalsContact O-OG 3.08Å; C730-S744 WeakPolarHBondContact CA-OG 3.45Å; C730-S744 WeakPolarHBondContact CB-OG 3.39Å; S742-S744 PolarHBondContact OG-OG 2.7Å; S744-Q749 PolarHBondContact N-O 3.46Å; S744-Q749 PolarHBondContact O-N 2.96Å; S744-Q749 VanDerWaalsContact O-N 3.09Å; S744-F751 WeakPolarHBondContact O-CE2 3.48Å
745G89.4Confident93.6Very high16 Ų1629 Ų2917%0.16515%0.145CC..THydrogen-bonded Turntrans103.1174.4176.800000114.3R729R729-G745 PolarHBondContact O-N 3.38Å
746Q85.1Confident93.4Very high155 Ų15530 Ų3072%0.72415%0.15SC*.THydrogen-bonded Turntrans-70.8-38.2175.1-65.3-66.418.800111.8P748Q746-P748 WeakPolarHBondContact O-CD 3.47Å
747H88.5Confident93.1Very high112 Ų11229.5 Ų29.552%0.51915%0.153SC..THydrogen-bonded Turntrans-97111.4160.9-53.7-68.1000107.4Q749 R783H747-Q749 PolarHBondContact O-N 2.71Å; H747-R783 HydrophobicContact CB-CG 3.93Å; H747-R783 PolarHBondContact CD2-NH2 2.74Å; H747-R783 PolarHBondContact NE2-NH2 3.04Å
748P91.4Very high93Very high15 Ų1526.1 Ų26.110%0.09714%0.139CC..THydrogen-bonded Turntrans-53.7122.5-177.4-33.541.8000112.1F377 L731 I743 Q746 G784 C785F377-P748 HydrophobicContact CD1-CG 4.42Å; F377-P748 HydrophobicContact CE1-CB 4.07Å; F377-P748 HydrophobicContact CE1-CG 3.63Å; F377-P748 HydrophobicContact CE2-CG 4.45Å; F377-P748 HydrophobicContact CZ-CG 3.68Å; L731-P748 HydrophobicContact CD1-CB 3.99Å; L731-P748 HydrophobicContact CD1-CG 3.62Å; I743-P748 HydrophobicContact CG2-CB 3.66Å; Q746-P748 WeakPolarHBondContact O-CD 3.47Å; P748-G784 PolarHBondContact O-N 2.93Å; P748-C785 VanDerWaalsContact CB-O 3.3Å; P748-C785 WeakPolarHBondContact CB-O 3.42Å; P748-C785 PolarHBondContact O-N 3.18Å
749Q94.7Very high92.6Very high11 Ų1126 Ų265%0.05114%0.138CC..EExtended strand (participates in β ladder)trans-145.6149.6-177.6-178.9150.819.500110.4I743 S744 H747 F751 K778 V779 T782I743-Q749 WeakPolarHBondContact CA-O 3.26Å; S744-Q749 PolarHBondContact N-O 3.46Å; S744-Q749 PolarHBondContact O-N 2.96Å; S744-Q749 VanDerWaalsContact O-N 3.09Å; H747-Q749 PolarHBondContact O-N 2.71Å; Q749-F751 HydrophobicContact CB-CE2 4.2Å; Q749-F751 WeakPolarHBondContact O-CD2 3.49Å; Q749-K778 HydrophobicContact CG-CD 4.45Å; Q749-K778 HydrophobicContact CG-CG 4.23Å; Q749-V779 PolarHBondContact NE2-O 3.42Å; Q749-T782 WeakPolarHBondContact CA-O 3.38Å; Q749-T782 WeakPolarHBondContact CG-OG1 3.42Å; Q749-T782 PolarHBondContact NE2-OG1 3.27Å
750L96.5Very high92Very high0 Ų030.4 Ų30.40%016%0.156CC..EExtended strand (participates in β ladder)trans-72.4131.1175-77168.3000111.3W732 S742 I743 V779 T782 C785 A788 L801 L810 M812W732-L750 HydrophobicContact CZ3-CD2 4.25Å; S742-L750 CarbonylContact O-C 3.49Å; S742-L750 VanDerWaalsContact O-CA 3.28Å; S742-L750 WeakPolarHBondContact O-CA 3.28Å; I743-L750 HydrophobicContact CG1-CD2 3.76Å; I743-L750 HydrophobicContact CG1-CG 4.37Å; L750-V779 HydrophobicContact CB-CB 3.95Å; L750-V779 HydrophobicContact CB-CG2 3.9Å; L750-V779 WeakPolarHBondContact O-CB 3.48Å; L750-V779 WeakPolarHBondContact O-CG2 3.4Å; L750-V779 PolarHBondContact O-N 3.41Å; L750-T782 HydrophobicContact CB-CG2 4.23Å; L750-T782 HydrophobicContact CD1-CG2 3.98Å; L750-C785 HydrophobicContact CG-CB 4.26Å; L750-A788 HydrophobicContact CD2-CB 4.42Å; L750-L801 HydrophobicContact CD1-CD2 4.1Å; L750-L810 HydrophobicContact CD1-CD2 3.85Å; L750-M812 HydrophobicContact CD1-SD 4.37Å
751F96Very high90.7Very high24 Ų2432.9 Ų32.911%0.10517%0.174CC..EExtended strand (participates in β ladder)trans-121.5145169.4-73-98.9000109.8M741 S742 S744 Q749 H753 T776 V777 K778M741-F751 CarbonylContact C-O 3.55Å; M741-F751 WeakPolarHBondContact CA-O 3.43Å; S742-F751 PolarHBondContact N-O 2.78Å; S742-F751 PolarHBondContact O-N 2.96Å; S744-F751 WeakPolarHBondContact O-CE2 3.48Å; Q749-F751 HydrophobicContact CB-CE2 4.2Å; Q749-F751 WeakPolarHBondContact O-CD2 3.49Å; F751-H753 WeakPolarHBondContact CB-NE2 3.4Å; F751-T776 HydrophobicContact CB-CG2 4.44Å; F751-T776 HydrophobicContact CD1-CG2 3.7Å; F751-T776 HydrophobicContact CE1-CG2 4.44Å; F751-T776 HydrophobicContact CG-CG2 4.45Å; F751-V777 WeakPolarHBondContact CA-O 3.5Å; F751-K778 HydrophobicContact CD1-CB 3.97Å; F751-K778 HydrophobicContact CE1-CB 3.65Å; F751-K778 HydrophobicContact CE1-CG 4.32Å; F751-K778 HydrophobicContact CZ-CB 4.2Å; F751-K778 HydrophobicContact CZ-CD 4.34Å; F751-K778 HydrophobicContact CZ-CG 4.39Å
752S95.2Very high89.1Confident19 Ų1936.5 Ų36.513%0.13319%0.187CC..EExtended strand (participates in β ladder)trans-109.1125.9170.2-177.30000108.7T739 T776 V777 T820T739-S752 WeakPolarHBondContact CG2-OG 3.44Å; S752-T776 CarbonylContact O-C 3.42Å; S752-T776 WeakPolarHBondContact O-CA 3.37Å; S752-V777 PolarHBondContact N-O 3.49Å; S752-V777 PolarHBondContact O-N 3.21Å; S752-T820 PolarHBondContact OG-OG1 2.72Å
753H94.5Very high87Confident0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-123.3121.3-172.1-56.5-96.9000110.2T739 M740 S742 F751 L755 L758 P775 T776T739-H753 WeakPolarHBondContact CA-O 3.38Å; M740-H753 HydrophobicContact CB-CB 4.13Å; M740-H753 HydrophobicContact CE-CB 3.72Å; M740-H753 PolarHBondContact N-O 3.37Å; M740-H753 WeakPolarHBondContact O-CB 3.48Å; M740-H753 PolarHBondContact O-CD2 3.03Å; M740-H753 PolarHBondContact O-N 3.11Å; S742-H753 PolarHBondContact OG-NE2 2.99Å; F751-H753 WeakPolarHBondContact CB-NE2 3.4Å; H753-L755 PolarHBondContact O-N 3.09Å; H753-L758 HydrophobicContact CB-CD1 3.84Å; H753-P775 CarbonylContact C-O 3.16Å; H753-P775 WeakPolarHBondContact CA-O 3.21Å; H753-T776 VanDerWaalsContact CE1-CG2 3.45Å; H753-T776 WeakPolarHBondContact CE1-CG2 3.33Å; H753-T776 VanDerWaalsContact ND1-CG2 3.33Å; H753-T776 WeakPolarHBondContact ND1-CG2 3.46Å; H753-T776 PolarHBondContact ND1-OG1 3.24Å
754N92.9Very high84.3Confident61 Ų6144.9 Ų44.933%0.32624%0.241SC..EExtended strand (participates in β ladder)trans-83.5107171.7-172.9-74.5000109.3I756 S757 L758 P775N754-I756 PolarHBondContact O-N 2.8Å; N754-I756 PolarHBondContact OD1-N 3.04Å; N754-S757 PolarHBondContact O-N 3.17Å; N754-S757 WeakPolarHBondContact OD1-CB 3.15Å; N754-S757 PolarHBondContact OD1-N 3.19Å; N754-S757 PolarHBondContact OD1-OG 3.2Å; N754-L758 PolarHBondContact O-N 2.59Å; N754-P775 PolarHBondContact N-O 2.93Å
755L93.1Very high81.5Confident0 Ų054 Ų540%028%0.284CS..Hα-helixtrans-64.6-41.6-172.1-67.1174000112.1W691 L702 L725 V735 D738 M740 H753 S757 L758 M759W691-L755 HydrophobicContact CB-CD1 4.13Å; W691-L755 HydrophobicContact CD2-CB 4.13Å; W691-L755 HydrophobicContact CD2-CD1 3.53Å; W691-L755 HydrophobicContact CD2-CG 4.45Å; W691-L755 HydrophobicContact CE3-CB 4.14Å; W691-L755 HydrophobicContact CE3-CD1 3.99Å; W691-L755 HydrophobicContact CG-CD1 3.6Å; W691-L755 HydrophobicContact CH2-CB 3.65Å; W691-L755 HydrophobicContact CZ2-CB 3.6Å; W691-L755 HydrophobicContact CZ2-CD1 4.42Å; W691-L755 HydrophobicContact CZ3-CB 3.92Å; L702-L755 HydrophobicContact CD1-CD1 4.02Å; L702-L755 HydrophobicContact CD1-CD2 3.89Å; L725-L755 HydrophobicContact CD2-CD2 4.03Å; V735-L755 HydrophobicContact CG1-CD1 3.77Å; V735-L755 HydrophobicContact CG2-CD1 4.14Å; D738-L755 PolarHBondContact O-N 2.8Å; M740-L755 HydrophobicContact CB-CD1 4.12Å; M740-L755 HydrophobicContact CB-CD2 3.78Å; M740-L755 HydrophobicContact CB-CG 3.99Å; M740-L755 HydrophobicContact CE-CD2 3.99Å; M740-L755 HydrophobicContact SD-CD2 4.32Å; H753-L755 PolarHBondContact O-N 3.09Å; L755-S757 VanDerWaalsContact C-N 3.35Å; L755-S757 PolarHBondContact O-N 3.49Å; L755-L758 PolarHBondContact O-N 2.68Å; L755-M759 VanDerWaalsContact O-CG 3.28Å; L755-M759 WeakPolarHBondContact O-CG 3.24Å; L755-M759 PolarHBondContact O-N 3.11Å
756I89.8Confident78.8Confident31 Ų3157.8 Ų57.816%0.15930%0.304CS..Hα-helixtrans-58.6-47.1175.5-61.7166.8000110.5W691 P694 D738 N754 M759 K760W691-I756 HydrophobicContact CH2-CG1 4.43Å; W691-I756 HydrophobicContact CZ2-CG1 4.02Å; P694-I756 HydrophobicContact CG-CD1 3.76Å; P694-I756 HydrophobicContact CG-CG1 4.15Å; D738-I756 HydrophobicContact CB-CD1 3.8Å; D738-I756 HydrophobicContact CB-CG1 4Å; N754-I756 PolarHBondContact O-N 2.8Å; N754-I756 PolarHBondContact OD1-N 3.04Å; I756-M759 PolarHBondContact O-N 3.27Å; I756-K760 HydrophobicContact CG2-CD 4.08Å; I756-K760 WeakPolarHBondContact O-CB 3.41Å; I756-K760 WeakPolarHBondContact O-CG 3.44Å; I756-K760 PolarHBondContact O-N 3.26Å
757S87.3Confident76.5Confident46 Ų4660 Ų6032%0.32231%0.305SS..Hα-helixtrans-67-35178.6-60.40000112.9N754 L755 S761N754-S757 PolarHBondContact O-N 3.17Å; N754-S757 WeakPolarHBondContact OD1-CB 3.15Å; N754-S757 PolarHBondContact OD1-N 3.19Å; N754-S757 PolarHBondContact OD1-OG 3.2Å; L755-S757 VanDerWaalsContact C-N 3.35Å; L755-S757 PolarHBondContact O-N 3.49Å; S757-S761 WeakPolarHBondContact O-CB 3.27Å; S757-S761 PolarHBondContact O-N 2.98Å; S757-S761 PolarHBondContact O-OG 2.63Å
758L88.4Confident74.3Confident13 Ų1363.6 Ų63.67%0.06832%0.32CS..Hα-helixtrans-64.6-51.3173.8-81.3171.2000111.3L725 V726 H753 N754 L755 K760 S761 R762 P775L725-L758 HydrophobicContact CD1-CB 4.03Å; L725-L758 HydrophobicContact CD2-CD1 4.3Å; L725-L758 HydrophobicContact CG-CB 4.41Å; L725-L758 HydrophobicContact CG-CD1 4.28Å; V726-L758 HydrophobicContact CG2-CD1 4.07Å; H753-L758 HydrophobicContact CB-CD1 3.84Å; N754-L758 PolarHBondContact O-N 2.59Å; L755-L758 PolarHBondContact O-N 2.68Å; L758-K760 VanDerWaalsContact C-N 3.29Å; L758-K760 PolarHBondContact O-N 2.86Å; L758-S761 PolarHBondContact O-N 2.78Å; L758-S761 PolarHBondContact O-OG 2.82Å; L758-R762 PolarHBondContact O-N 3.44Å; L758-P775 HydrophobicContact CB-CB 4.48Å; L758-P775 HydrophobicContact CD2-CB 3.78Å; L758-P775 HydrophobicContact CG-CB 3.75Å
759M85.6Confident71.8Confident35 Ų3566.4 Ų66.417%0.17233%0.334CS..Hα-helixtrans-59.4-40178.6-63.3-61.9-77.200111.7W691 I700 Y711 L725 L755 I756 R762W691-M759 HydrophobicContact CH2-CG 4.14Å; W691-M759 HydrophobicContact CZ3-CG 3.91Å; I700-M759 HydrophobicContact CD1-CE 4.29Å; Y711-M759 HydrophobicContact CD1-SD 4.35Å; Y711-M759 HydrophobicContact CE1-CE 4.05Å; Y711-M759 HydrophobicContact CE1-SD 3.9Å; Y711-M759 HydrophobicContact CE2-CE 4.09Å; L725-M759 HydrophobicContact CD1-SD 3.69Å; L755-M759 VanDerWaalsContact O-CG 3.28Å; L755-M759 WeakPolarHBondContact O-CG 3.24Å; L755-M759 PolarHBondContact O-N 3.11Å; I756-M759 PolarHBondContact O-N 3.27Å; M759-R762 PolarHBondContact O-N 3.08Å
760K81.1Confident69.4Low97 Ų9769.4 Ų69.442%0.42235%0.348SS..Hα-helixtrans-68.3-33.8173.9-73.1178.9-175.2175.90113.8E695 I756 L758 R762 T763 S764E695-K760 VanDerWaalsContact CD-CE 3.43Å; E695-K760 WeakPolarHBondContact OE1-CE 3.28Å; E695-K760 IonicContact OE1-NZ 2.85Å; E695-K760 PolarHBondContact OE1-NZ 2.87Å; E695-K760 WeakPolarHBondContact OE2-CE 3.16Å; E695-K760 IonicContact OE2-NZ 3.08Å; E695-K760 PolarHBondContact OE2-NZ 2.87Å; I756-K760 HydrophobicContact CG2-CD 4.08Å; I756-K760 WeakPolarHBondContact O-CB 3.41Å; I756-K760 WeakPolarHBondContact O-CG 3.44Å; I756-K760 PolarHBondContact O-N 3.26Å; L758-K760 VanDerWaalsContact C-N 3.29Å; L758-K760 PolarHBondContact O-N 2.86Å; K760-R762 PolarHBondContact O-N 3.32Å; K760-T763 PolarHBondContact O-N 3.27Å; K760-T763 VanDerWaalsContact O-N 3.14Å; K760-T763 PolarHBondContact O-OG1 2.83Å; K760-T763 VanDerWaalsContact O-OG1 3.1Å; K760-S764 PolarHBondContact O-N 2.79Å; K760-S764 VanDerWaalsContact O-N 3.16Å
761S68.8Low66.7Low53 Ų5377.8 Ų77.837%0.37138%0.384SS..Hα-helixtrans-67.1-22.3177.971.20000113.3S757 L758S757-S761 WeakPolarHBondContact O-CB 3.27Å; S757-S761 PolarHBondContact O-N 2.98Å; S757-S761 PolarHBondContact O-OG 2.63Å; L758-S761 PolarHBondContact O-N 2.78Å; L758-S761 PolarHBondContact O-OG 2.82Å
762R64.3Low64.2Low76 Ų7686.9 Ų86.929%0.28742%0.418SS..Hα-helixtrans-78.2-29170.7-66.5-17066-134.52113.3E567 Y711 E723 L758 M759 K760E567-R762 IonicContact OE2-CZ 2.77Å; E567-R762 IonicContact OE2-NE 3.21Å; E567-R762 PolarHBondContact OE2-NE 3Å; E567-R762 IonicContact OE2-NH2 2.72Å; E567-R762 PolarHBondContact OE2-NH2 3.41Å; Y711-R762 PolarHBondContact OH-NH1 3.27Å; E723-R762 IonicContact OE1-NH1 3.92Å; E723-R762 IonicContact OE2-CZ 3.72Å; E723-R762 VanDerWaalsContact OE2-CZ 3.23Å; E723-R762 IonicContact OE2-NH1 2.68Å; E723-R762 PolarHBondContact OE2-NH1 3.44Å; E723-R762 IonicContact OE2-NH2 2.73Å; E723-R762 PolarHBondContact OE2-NH2 2.86Å; L758-R762 PolarHBondContact O-N 3.44Å; M759-R762 PolarHBondContact O-N 3.08Å; K760-R762 PolarHBondContact O-N 3.32Å
763T52.7Low62.2Low116 Ų11691.2 Ų91.271%0.71243%0.434SS*.Hα-helixtrans-88.8-8.717961.90000114.3K760K760-T763 PolarHBondContact O-N 3.27Å; K760-T763 VanDerWaalsContact O-N 3.14Å; K760-T763 PolarHBondContact O-OG1 2.83Å; K760-T763 VanDerWaalsContact O-OG1 3.1Å
764S41.2Very low60.9Low61 Ų6195.4 Ų95.443%0.42745%0.454SS..SBendtrans-137.8123.9-175.7-63.50000112.2K760 T766K760-S764 PolarHBondContact O-N 2.79Å; K760-S764 VanDerWaalsContact O-N 3.16Å; S764-T766 PolarHBondContact O-N 3.12Å
765Q34.8Very low60.5Low194 Ų19493.4 Ų93.491%0.90745%0.445SS*.  trans-71.532-178.3-63.1-174.7-12.700115R767Q765-R767 PolarHBondContact O-N 2.8Å
766T32.7Very low60.4Low94 Ų9494.9 Ų94.958%0.57745%0.453SS*.  trans-78.479.7-176.4520000111.4S764 F768S764-T766 PolarHBondContact O-N 3.12Å; T766-F768 PolarHBondContact O-N 2.88Å
767R36.9Very low60.5Low201 Ų20196.5 Ų96.576%0.75847%0.465SS*.  trans-72.37.2-169.8-140.4-175.7-70-155.3-0.4116Q765Q765-R767 PolarHBondContact O-N 2.8Å
768F43.4Very low60.7Low188 Ų18899.7 Ų99.783%0.82547%0.473SS*.  trans-134.2111.4-177.6-67.7-80.9000112.6T766T766-F768 PolarHBondContact O-N 2.88Å
769L38.8Very low61Low75 Ų7599.9 Ų99.939%0.39347%0.474SS..  trans-138.3131.1171.4-68.3168.9000108.6F773 P775L769-F773 HydrophobicContact CD2-CB 4.43Å; L769-P775 HydrophobicContact CD1-CG 4.14Å
770H44.3Very low61.3Low74 Ų74102.2 Ų102.234%0.34349%0.492SS..  trans-49154.4170.8-103163.1000111.9T308 Y309 R772 F773 Q774T308-H770 PolarHBondContact O-CE1 2.8Å; T308-H770 PolarHBondContact O-NE2 3Å; Y309-H770 HydrophobicContact CD1-CB 3.89Å; Y309-H770 AromaticContact CD1-CG 3.77Å; Y309-H770 AromaticContact CD1-ND1 3.84Å; Y309-H770 AromaticContact CD2-ND1 3.61Å; Y309-H770 HydrophobicContact CE1-CB 3.26Å; Y309-H770 AromaticContact CE1-CG 3.51Å; Y309-H770 AromaticContact CE1-ND1 3.54Å; Y309-H770 HydrophobicContact CE2-CB 4.49Å; Y309-H770 AromaticContact CE2-ND1 3.21Å; Y309-H770 WeakPolarHBondContact CE2-ND1 3.5Å; Y309-H770 AromaticContact CG-ND1 3.84Å; Y309-H770 AromaticContact CZ-CG 3.58Å; Y309-H770 AromaticContact CZ-ND1 3.12Å; Y309-H770 PolarHBondContact OH-ND1 3.01Å; H770-R772 HydrophobicContact CB-CB 4.35Å; H770-R772 PolarHBondContact O-N 3.02Å; H770-F773 CarbonylContact O-C 3.57Å; H770-F773 PolarHBondContact O-N 2.85Å; H770-Q774 WeakPolarHBondContact O-CG 3.39Å; H770-Q774 PolarHBondContact O-N 2.88Å
771K39.6Very low61.7Low176 Ų176103.5 Ų103.577%0.76550%0.504SS*.THydrogen-bonded Turntrans-43.2-27.3160.7-60.3-179179.4-179.90114.2
772R43.8Very low63Low214 Ų214101 Ų10181%0.80849%0.486SS*.THydrogen-bonded Turntrans-80.3-24.7174.2-77.6-170.3178.5177.51.9116.8H770H770-R772 HydrophobicContact CB-CB 4.35Å; H770-R772 PolarHBondContact O-N 3.02Å
773F52.6Low64.4Low110 Ų110104.5 Ų104.548%0.48250%0.499SS..THydrogen-bonded Turntrans-119.514.4178.2-67.1-19.4000112.4A305 Y309 L769 H770A305-F773 HydrophobicContact CB-CE2 4.22Å; A305-F773 HydrophobicContact CB-CZ 4.28Å; Y309-F773 AromaticContact CE1-CD2 3.85Å; Y309-F773 HydrophobicContact CE1-CD2 3.85Å; Y309-F773 HydrophobicContact CE1-CE2 4.43Å; Y309-F773 HydrophobicContact CE2-CD2 4.43Å; Y309-F773 HydrophobicContact CE2-CE2 4.22Å; Y309-F773 AromaticContact CZ-CD2 3.46Å; Y309-F773 VanDerWaalsContact CZ-CD2 3.46Å; Y309-F773 AromaticContact CZ-CE2 3.67Å; Y309-F773 WeakPolarHBondContact OH-CD2 3.37Å; Y309-F773 WeakPolarHBondContact OH-CE2 3.21Å; Y309-F773 VanDerWaalsContact OH-CG 3.23Å; Y309-F773 WeakPolarHBondContact OH-CG 3.47Å; L769-F773 HydrophobicContact CD2-CB 4.43Å; H770-F773 CarbonylContact O-C 3.57Å; H770-F773 PolarHBondContact O-N 2.85Å
774Q66.9Low66.2Low88 Ų88100.6 Ų100.641%0.41148%0.482SS..  trans-59.7131.2170.6-83.4171.33.900109.5H770 T776H770-Q774 WeakPolarHBondContact O-CG 3.39Å; H770-Q774 PolarHBondContact O-N 2.88Å; Q774-T776 PolarHBondContact O-N 3.33Å
775P84.7Confident68.7Low20 Ų2097.7 Ų97.713%0.1346%0.462CS..SBendtrans-62.6-9.6178.9-24.734.9000114.4H753 N754 L758 L769H753-P775 CarbonylContact C-O 3.16Å; H753-P775 WeakPolarHBondContact CA-O 3.21Å; N754-P775 PolarHBondContact N-O 2.93Å; L758-P775 HydrophobicContact CB-CB 4.48Å; L758-P775 HydrophobicContact CD2-CB 3.78Å; L758-P775 HydrophobicContact CG-CB 3.75Å; L769-P775 HydrophobicContact CD1-CG 4.14Å
776T90.7Very high71.2Confident30 Ų3091.3 Ų91.318%0.18443%0.43CS..EExtended strand (participates in β ladder)trans-137.8125.2176.8-67.80000108.2F751 S752 H753 Q774F751-T776 HydrophobicContact CB-CG2 4.44Å; F751-T776 HydrophobicContact CD1-CG2 3.7Å; F751-T776 HydrophobicContact CE1-CG2 4.44Å; F751-T776 HydrophobicContact CG-CG2 4.45Å; S752-T776 CarbonylContact O-C 3.42Å; S752-T776 WeakPolarHBondContact O-CA 3.37Å; H753-T776 VanDerWaalsContact CE1-CG2 3.45Å; H753-T776 WeakPolarHBondContact CE1-CG2 3.33Å; H753-T776 VanDerWaalsContact ND1-CG2 3.33Å; H753-T776 WeakPolarHBondContact ND1-CG2 3.46Å; H753-T776 PolarHBondContact ND1-OG1 3.24Å; Q774-T776 PolarHBondContact O-N 3.33Å
777V91.2Very high74Confident65 Ų6587.2 Ų87.239%0.39440%0.404SS..EExtended strand (participates in β ladder)trans-123.2126.1-179.6-179.90000108.7F751 S752F751-V777 WeakPolarHBondContact CA-O 3.5Å; S752-V777 PolarHBondContact N-O 3.49Å; S752-V777 PolarHBondContact O-N 3.21Å
778K93Very high76.8Confident113 Ų11377.6 Ų77.649%0.49137%0.368SS..EExtended strand (participates in β ladder)trans-68.2127.7170.8171.9165136.1151.70109.2Q749 F751Q749-K778 HydrophobicContact CG-CD 4.45Å; Q749-K778 HydrophobicContact CG-CG 4.23Å; F751-K778 HydrophobicContact CD1-CB 3.97Å; F751-K778 HydrophobicContact CE1-CB 3.65Å; F751-K778 HydrophobicContact CE1-CG 4.32Å; F751-K778 HydrophobicContact CZ-CB 4.2Å; F751-K778 HydrophobicContact CZ-CD 4.34Å; F751-K778 HydrophobicContact CZ-CG 4.39Å
779V93.1Very high79.2Confident17 Ų1769.7 Ų69.710%0.10334%0.335CS..PPolyproline II helixtrans-71.6127.9170.7-175.50000107.3M741 Q749 L750 T782 M812M741-V779 HydrophobicContact CE-CG2 4.01Å; Q749-V779 PolarHBondContact NE2-O 3.42Å; L750-V779 HydrophobicContact CB-CB 3.95Å; L750-V779 HydrophobicContact CB-CG2 3.9Å; L750-V779 WeakPolarHBondContact O-CB 3.48Å; L750-V779 WeakPolarHBondContact O-CG2 3.4Å; L750-V779 PolarHBondContact O-N 3.41Å; V779-T782 HydrophobicContact CB-CG2 4.35Å; V779-T782 HydrophobicContact CG1-CG2 3.91Å; V779-T782 PolarHBondContact O-OG1 3.06Å; V779-M812 HydrophobicContact CG1-CE 3.85Å
780P91.8Very high81.8Confident84 Ų8467.6 Ų67.655%0.54533%0.326SS..THydrogen-bonded Turntrans-55157.2174.4-26.636.2000112.2T782P780-T782 WeakPolarHBondContact O-CG2 3.41Å; P780-T782 PolarHBondContact O-N 2.84Å; P780-T782 PolarHBondContact O-OG1 3.01Å
781D91.3Very high84.1Confident124 Ų12465.3 Ų65.366%0.66332%0.316SS*.THydrogen-bonded Turntrans52.834.3161.8-44.6-38.9000115.7R826D781-R826 PolarHBondContact O-NH1 2.69Å; D781-R826 PolarHBondContact O-NH2 3.43Å; D781-R826 VanDerWaalsContact O-NH2 3.08Å
782T95.3Very high86.6Confident0 Ų063.8 Ų63.80%031%0.306CS..  trans-127.512.7-179.649.30000113.3Q749 L750 V779 P780 G784 C785 I805 L810Q749-T782 WeakPolarHBondContact CA-O 3.38Å; Q749-T782 WeakPolarHBondContact CG-OG1 3.42Å; Q749-T782 PolarHBondContact NE2-OG1 3.27Å; L750-T782 HydrophobicContact CB-CG2 4.23Å; L750-T782 HydrophobicContact CD1-CG2 3.98Å; V779-T782 HydrophobicContact CB-CG2 4.35Å; V779-T782 HydrophobicContact CG1-CG2 3.91Å; V779-T782 PolarHBondContact O-OG1 3.06Å; P780-T782 WeakPolarHBondContact O-CG2 3.41Å; P780-T782 PolarHBondContact O-N 2.84Å; P780-T782 PolarHBondContact O-OG1 3.01Å; T782-G784 PolarHBondContact O-N 3.41Å; T782-C785 VanDerWaalsContact O-CB 3.22Å; T782-C785 WeakPolarHBondContact O-CB 3.41Å; T782-C785 PolarHBondContact O-N 3.19Å; T782-I805 HydrophobicContact CG2-CD1 3.9Å; T782-L810 HydrophobicContact CG2-CD2 3.42Å; T782-L810 VanDerWaalsContact CG2-CD2 3.42Å
783R93.7Very high88.7Confident150 Ų15053.7 Ų53.757%0.56627%0.268SS*.THydrogen-bonded Turntrans-63.4126.8170.3-171.4-176-174.1178.62.4107.8H747H747-R783 HydrophobicContact CB-CG 3.93Å; H747-R783 PolarHBondContact CD2-NH2 2.74Å; H747-R783 PolarHBondContact NE2-NH2 3.04Å
784G90.9Very high90Very high34 Ų3454.7 Ų54.735%0.35127%0.274SS..THydrogen-bonded Turntrans917.6-170.400000114.5P748 T782 Y786P748-G784 PolarHBondContact O-N 2.93Å; T782-G784 PolarHBondContact O-N 3.41Å; G784-Y786 PolarHBondContact O-N 3.04Å
785C93.3Very high90.8Very high0 Ų055 Ų550%027%0.274CS..EExtended strand (participates in β ladder)trans-67.8110.9169.7-168.30000109.5I743 P748 L750 T782 A804 I805I743-C785 VanDerWaalsContact CG2-O 3.24Å; I743-C785 WeakPolarHBondContact CG2-O 3.24Å; P748-C785 VanDerWaalsContact CB-O 3.3Å; P748-C785 WeakPolarHBondContact CB-O 3.42Å; P748-C785 PolarHBondContact O-N 3.18Å; L750-C785 HydrophobicContact CG-CB 4.26Å; T782-C785 VanDerWaalsContact O-CB 3.22Å; T782-C785 WeakPolarHBondContact O-CB 3.41Å; T782-C785 PolarHBondContact O-N 3.19Å; C785-A804 WeakPolarHBondContact CA-O 3.35Å; C785-I805 HydrophobicContact CB-CD1 4.42Å; C785-I805 HydrophobicContact CB-CG1 3.7Å
786Y87.9Confident90.6Very high60 Ų6058.4 Ų58.424%0.23529%0.287CS..EExtended strand (participates in β ladder)trans-108-23.5-17063.4-92.3000114.5F377 G784 A804 M832 L836F377-Y786 VanDerWaalsContact CE1-CB 3.41Å; G784-Y786 PolarHBondContact O-N 3.04Å; Y786-A804 HydrophobicContact CD1-CB 4.44Å; Y786-A804 VanDerWaalsContact CD1-O 3.3Å; Y786-A804 WeakPolarHBondContact CD1-O 3.14Å; Y786-A804 HydrophobicContact CE1-CB 3.74Å; Y786-A804 HydrophobicContact CE2-CB 4.18Å; Y786-A804 PolarHBondContact N-O 2.76Å; Y786-A804 VanDerWaalsContact N-O 3.12Å; Y786-M832 WeakPolarHBondContact OH-CG 3.11Å; Y786-L836 HydrophobicContact CE2-CB 3.94Å; Y786-L836 HydrophobicContact CE2-CD2 3.84Å; Y786-L836 WeakPolarHBondContact OH-CD2 3.48Å
787I91.4Very high90.1Very high8 Ų858.8 Ų58.84%0.04130%0.297CS..EExtended strand (participates in β ladder)trans-140.3142.8171.6-170.4165.1000109.2V378 G803 A804 L836 F839V378-I787 WeakPolarHBondContact O-CD1 3.49Å; I787-G803 CarbonylContact O-C 3.56Å; I787-G803 WeakPolarHBondContact O-CA 3.47Å; I787-A804 HydrophobicContact CG2-CB 3.71Å; I787-A804 PolarHBondContact O-N 2.82Å; I787-L836 HydrophobicContact CG2-CD2 3.94Å; I787-F839 HydrophobicContact CD1-CB 3.68Å; I787-F839 HydrophobicContact CD1-CG 4.4Å; I787-F839 HydrophobicContact CG1-CB 4.26Å; I787-F839 HydrophobicContact CG1-CD1 4.17Å; I787-F839 HydrophobicContact CG2-CB 4.3Å; I787-F839 HydrophobicContact CG2-CD1 3.88Å; I787-F839 HydrophobicContact CG2-CD2 4.44Å; I787-F839 HydrophobicContact CG2-CE1 4.27Å; I787-F839 HydrophobicContact CG2-CG 3.98Å
788A94.8Very high90Very high0 Ų058.8 Ų58.80%029%0.294CS..EExtended strand (participates in β ladder)trans-141.1155.5173.800000110.4W732 I743 L750 L801 C802W732-A788 HydrophobicContact CD2-CB 3.99Å; W732-A788 HydrophobicContact CE3-CB 3.87Å; W732-A788 HydrophobicContact CH2-CB 3.88Å; W732-A788 HydrophobicContact CZ2-CB 4.01Å; W732-A788 HydrophobicContact CZ3-CB 3.81Å; W732-A788 PolarHBondContact NE1-O 3.33Å; I743-A788 HydrophobicContact CD1-CB 3.6Å; I743-A788 HydrophobicContact CG1-CB 4.3Å; L750-A788 HydrophobicContact CD2-CB 4.42Å; A788-L801 HydrophobicContact CB-CD2 4.5Å; A788-C802 CarbonylContact C-O 3.54Å; A788-C802 VanDerWaalsContact CA-O 3.26Å; A788-C802 WeakPolarHBondContact CA-O 3.06Å
789T94.1Very high90Very high22 Ų2255.2 Ų55.214%0.13528%0.278CS..EExtended strand (participates in β ladder)trans-154.3151.5-175.1179.60000109.4L801 C802 F839 L841T789-L801 WeakPolarHBondContact O-CA 3.49Å; T789-C802 HydrophobicContact CG2-CB 4.38Å; T789-C802 PolarHBondContact N-O 3.45Å; T789-C802 PolarHBondContact O-N 3.26Å; T789-F839 HydrophobicContact CG2-CD1 3.46Å; T789-F839 VanDerWaalsContact CG2-CD1 3.46Å; T789-F839 HydrophobicContact CG2-CE1 3.68Å; T789-F839 HydrophobicContact CG2-CG 4.49Å; T789-F839 WeakPolarHBondContact CG2-O 3.37Å; T789-L841 HydrophobicContact CG2-CD1 3.73Å; T789-L841 HydrophobicContact CG2-CD2 4.08Å; T789-L841 HydrophobicContact CG2-CG 3.58Å
790V94.4Very high90.1Very high31 Ų3154.7 Ų54.719%0.18827%0.274CS..EExtended strand (participates in β ladder)trans-131133.7-176.2-177.30000110.6W732 F734 K799 Y800 L801 F821W732-V790 HydrophobicContact CH2-CG2 3.96Å; W732-V790 HydrophobicContact CZ2-CG2 4.03Å; F734-V790 HydrophobicContact CB-CG2 4.43Å; F734-V790 HydrophobicContact CD1-CB 4.14Å; F734-V790 HydrophobicContact CD1-CG1 4.26Å; F734-V790 HydrophobicContact CD1-CG2 3.59Å; F734-V790 HydrophobicContact CD2-CB 4.29Å; F734-V790 HydrophobicContact CD2-CG2 4.34Å; F734-V790 HydrophobicContact CE1-CB 3.96Å; F734-V790 HydrophobicContact CE1-CG1 3.62Å; F734-V790 HydrophobicContact CE1-CG2 3.85Å; F734-V790 HydrophobicContact CE2-CB 4.15Å; F734-V790 HydrophobicContact CE2-CG1 4.29Å; F734-V790 HydrophobicContact CG-CB 4.28Å; F734-V790 HydrophobicContact CG-CG2 3.84Å; F734-V790 HydrophobicContact CZ-CB 3.97Å; F734-V790 HydrophobicContact CZ-CG1 3.65Å; F734-V790 HydrophobicContact CZ-CG2 4.34Å; V790-K799 HydrophobicContact CG1-CD 4.42Å; V790-Y800 VanDerWaalsContact CA-O 3.31Å; V790-Y800 WeakPolarHBondContact CA-O 3.33Å; V790-Y800 WeakPolarHBondContact CG1-O 3.48Å; V790-L801 HydrophobicContact CG2-CB 3.84Å; V790-L801 HydrophobicContact CG2-CD1 4.01Å; V790-L801 HydrophobicContact CG2-CG 3.81Å; V790-F821 HydrophobicContact CG1-CE1 4.45Å; V790-F821 HydrophobicContact CG1-CZ 4.03Å
791V92.7Very high90.3Very high25 Ų2550.7 Ų50.715%0.15225%0.248CC..EExtended strand (participates in β ladder)trans-127.9150.3178.571.50000111K799 Y800 L841 I843 P850V791-K799 VanDerWaalsContact O-CA 3.31Å; V791-K799 WeakPolarHBondContact O-CA 2.96Å; V791-Y800 PolarHBondContact N-O 2.67Å; V791-Y800 PolarHBondContact O-N 3.49Å; V791-L841 HydrophobicContact CB-CB 3.84Å; V791-L841 HydrophobicContact CB-CD1 3.81Å; V791-L841 HydrophobicContact CB-CG 4.47Å; V791-L841 HydrophobicContact CG1-CB 3.91Å; V791-L841 HydrophobicContact CG1-CD1 3.5Å; V791-L841 VanDerWaalsContact CG1-CD1 3.5Å; V791-L841 HydrophobicContact CG1-CG 4.36Å; V791-L841 HydrophobicContact CG2-CB 4.26Å; V791-I843 HydrophobicContact CB-CD1 4.43Å; V791-I843 HydrophobicContact CG1-CD1 3.77Å; V791-I843 HydrophobicContact CG2-CD1 3.77Å; V791-I843 HydrophobicContact CG2-CG1 3.61Å; V791-P850 HydrophobicContact CG1-CB 4.15Å; V791-P850 HydrophobicContact CG1-CG 4.04Å
792R90.6Very high90.6Very high145 Ų14544.8 Ų44.855%0.54722%0.217SC..EExtended strand (participates in β ladder)trans-102.3122.2167.6-170.4-176.5-171.2-174.41.3109Q794 G797 M798 K799R792-Q794 PolarHBondContact O-N 3.3Å; R792-G797 PolarHBondContact NE-O 2.9Å; R792-M798 CarbonylContact C-O 3.5Å; R792-M798 WeakPolarHBondContact CA-O 3.45Å; R792-K799 HydrophobicContact CB-CG 4.05Å; R792-K799 HydrophobicContact CG-CG 4.06Å
793N87.6Confident90.6Very high1 Ų144.8 Ų44.81%0.00522%0.217CC..  trans-73.193.6166.9-173.4-30.6000108.3F795 K796 G797 M798 Y800 I843 T848N793-F795 PolarHBondContact O-N 3.13Å; N793-F795 VanDerWaalsContact O-N 3.1Å; N793-F795 PolarHBondContact OD1-N 2.86Å; N793-K796 HydrophobicContact CB-CB 4.45Å; N793-K796 CarbonylContact O-C 3.59Å; N793-K796 PolarHBondContact O-N 3.08Å; N793-K796 PolarHBondContact OD1-N 2.82Å; N793-G797 PolarHBondContact O-N 3.27Å; N793-M798 PolarHBondContact N-O 2.74Å; N793-Y800 HydrophobicContact CB-CE2 4.02Å; N793-I843 HydrophobicContact CB-CD1 3.94Å; N793-I843 HydrophobicContact CB-CG2 4.29Å; N793-T848 PolarHBondContact ND2-O 3.45Å
794Q82Confident90.7Very high132 Ų13237.7 Ų37.762%0.61719%0.19SC*.THydrogen-bonded Turntrans-59.6-22.4-175.463.7-174.8-6.500114.2R792R792-Q794 PolarHBondContact O-N 3.3Å
795F81.7Confident90.8Very high95 Ų9536.7 Ų36.742%0.41718%0.176SC..THydrogen-bonded Turntrans-83.3-21.5178.5-50.1-73.7000113.3N793 I843 P845 T901N793-F795 PolarHBondContact O-N 3.13Å; N793-F795 VanDerWaalsContact O-N 3.1Å; N793-F795 PolarHBondContact OD1-N 2.86Å; F795-I843 HydrophobicContact CD2-CG2 3.71Å; F795-I843 HydrophobicContact CE2-CG2 3.82Å; F795-P845 HydrophobicContact CD1-CB 4.37Å; F795-P845 HydrophobicContact CD2-CB 4.01Å; F795-P845 HydrophobicContact CD2-CG 4.01Å; F795-P845 HydrophobicContact CE1-CG 4.27Å; F795-P845 HydrophobicContact CE2-CB 4.24Å; F795-P845 HydrophobicContact CE2-CG 3.72Å; F795-P845 HydrophobicContact CG-CB 4.1Å; F795-P845 HydrophobicContact CG-CG 4.43Å; F795-P845 HydrophobicContact CZ-CG 3.87Å; F795-T901 HydrophobicContact CE1-CG2 4.04Å; F795-T901 HydrophobicContact CE2-CG2 4.17Å; F795-T901 HydrophobicContact CZ-CG2 3.39Å
796K81.3Confident90.5Very high90 Ų9042.4 Ų42.439%0.39121%0.207SC..THydrogen-bonded Turntrans-122.70.4-175.7-64.4-179.8178.5170.40113.6N793 M798 Q847N793-K796 HydrophobicContact CB-CB 4.45Å; N793-K796 CarbonylContact O-C 3.59Å; N793-K796 PolarHBondContact O-N 3.08Å; N793-K796 PolarHBondContact OD1-N 2.82Å; K796-M798 HydrophobicContact CB-CG 4.35Å; K796-M798 WeakPolarHBondContact O-CG 3.33Å; K796-M798 PolarHBondContact O-N 2.94Å; K796-Q847 PolarHBondContact NZ-O 3.14Å
797G81.1Confident90.6Very high38 Ų3844.8 Ų44.839%0.39222%0.219SC..  trans74.9-31.4-17900000115.3R792 N793R792-G797 PolarHBondContact NE-O 2.9Å; N793-G797 PolarHBondContact O-N 3.27Å
798M87.4Confident90.6Very high66 Ų6645.3 Ų45.333%0.32522%0.223SC..  trans-55149.3-175.6-50.6-50.3-8000113.7R792 N793 K796 Y800 E813R792-M798 CarbonylContact C-O 3.5Å; R792-M798 WeakPolarHBondContact CA-O 3.45Å; N793-M798 PolarHBondContact N-O 2.74Å; K796-M798 HydrophobicContact CB-CG 4.35Å; K796-M798 WeakPolarHBondContact O-CG 3.33Å; K796-M798 PolarHBondContact O-N 2.94Å; M798-Y800 HydrophobicContact CB-CE2 4.07Å; M798-E813 HydrophobicContact CE-CG 3.86Å; M798-E813 WeakPolarHBondContact CE-OE1 3.46Å
799K93.4Very high90.6Very high38 Ų3845.3 Ų45.317%0.16522%0.223CC..EExtended strand (participates in β ladder)trans-112.7138.3167.6-75-158.4175.8-1640110.5F736 V790 V791 R792 W814 F821F736-K799 HydrophobicContact CD1-CD 4Å; F736-K799 HydrophobicContact CD2-CD 4Å; F736-K799 HydrophobicContact CE1-CD 3.94Å; F736-K799 HydrophobicContact CE1-CG 4.43Å; F736-K799 HydrophobicContact CE2-CD 3.95Å; F736-K799 HydrophobicContact CG-CD 4.03Å; F736-K799 HydrophobicContact CZ-CD 3.92Å; F736-K799 HydrophobicContact CZ-CG 4.48Å; V790-K799 HydrophobicContact CG1-CD 4.42Å; V791-K799 VanDerWaalsContact O-CA 3.31Å; V791-K799 WeakPolarHBondContact O-CA 2.96Å; R792-K799 HydrophobicContact CB-CG 4.05Å; R792-K799 HydrophobicContact CG-CG 4.06Å; K799-W814 HydrophobicContact CB-CB 4.06Å; K799-W814 PolarHBondContact O-N 3.01Å; K799-F821 HydrophobicContact CB-CE1 4.3Å; K799-F821 HydrophobicContact CB-CZ 4.49Å
800Y95.4Very high90.7Very high6 Ų644.2 Ų44.22%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-121.2131.9176.4-58.9-73.2000110.3V790 V791 N793 M798 M812 E813 T848 L849V790-Y800 VanDerWaalsContact CA-O 3.31Å; V790-Y800 WeakPolarHBondContact CA-O 3.33Å; V790-Y800 WeakPolarHBondContact CG1-O 3.48Å; V791-Y800 PolarHBondContact N-O 2.67Å; V791-Y800 PolarHBondContact O-N 3.49Å; N793-Y800 HydrophobicContact CB-CE2 4.02Å; M798-Y800 HydrophobicContact CB-CE2 4.07Å; Y800-M812 CarbonylContact C-O 3.58Å; Y800-M812 VanDerWaalsContact CA-O 3.26Å; Y800-M812 WeakPolarHBondContact CA-O 3.29Å; Y800-E813 HydrophobicContact CD1-CB 4.01Å; Y800-E813 HydrophobicContact CD1-CG 4.07Å; Y800-E813 HydrophobicContact CE1-CB 3.95Å; Y800-E813 HydrophobicContact CE1-CG 3.69Å; Y800-E813 WeakPolarHBondContact CE1-OE2 3.33Å; Y800-T848 WeakPolarHBondContact CE2-O 3.39Å; Y800-T848 VanDerWaalsContact CZ-O 3.31Å; Y800-T848 PolarHBondContact OH-O 3.11Å; Y800-L849 HydrophobicContact CD1-CD2 4.04Å; Y800-L849 HydrophobicContact CE1-CD2 3.54Å
801L97Very high90.8Very high0 Ų042.8 Ų42.80%021%0.207CC..EExtended strand (participates in β ladder)trans-100.6124.2166.2-178.1160.1000107.3W732 M741 L750 A788 T789 V790 M812 F821W732-L801 HydrophobicContact CH2-CD1 3.84Å; W732-L801 HydrophobicContact CH2-CG 4.31Å; W732-L801 HydrophobicContact CZ3-CD1 4.24Å; M741-L801 HydrophobicContact CB-CD1 3.86Å; M741-L801 HydrophobicContact CE-CD1 4.22Å; M741-L801 HydrophobicContact CG-CD1 3.7Å; L750-L801 HydrophobicContact CD1-CD2 4.1Å; A788-L801 HydrophobicContact CB-CD2 4.5Å; T789-L801 WeakPolarHBondContact O-CA 3.49Å; V790-L801 HydrophobicContact CG2-CB 3.84Å; V790-L801 HydrophobicContact CG2-CD1 4.01Å; V790-L801 HydrophobicContact CG2-CG 3.81Å; L801-M812 HydrophobicContact CB-CB 4.35Å; L801-M812 HydrophobicContact CD2-CG 4.38Å; L801-M812 HydrophobicContact CD2-SD 4.12Å; L801-M812 PolarHBondContact N-O 3.18Å; L801-M812 PolarHBondContact O-N 3.24Å; L801-F821 HydrophobicContact CB-CD1 3.64Å; L801-F821 HydrophobicContact CB-CE1 3.74Å; L801-F821 HydrophobicContact CB-CG 4.06Å; L801-F821 HydrophobicContact CB-CZ 4.23Å; L801-F821 HydrophobicContact CD1-CD2 4.2Å; L801-F821 HydrophobicContact CD1-CE2 4.42Å; L801-F821 HydrophobicContact CD1-CG 4.35Å
802C97.3Very high91Very high0 Ų041.8 Ų41.80%020%0.201CC..EExtended strand (participates in β ladder)trans-112.7146.5170.9-580000109.4A788 T789 I809 L810 F839 L841A788-C802 CarbonylContact C-O 3.54Å; A788-C802 VanDerWaalsContact CA-O 3.26Å; A788-C802 WeakPolarHBondContact CA-O 3.06Å; T789-C802 HydrophobicContact CG2-CB 4.38Å; T789-C802 PolarHBondContact N-O 3.45Å; T789-C802 PolarHBondContact O-N 3.26Å; C802-I809 HydrophobicContact CB-CG2 4.32Å; C802-L810 CarbonylContact C-O 3.41Å; C802-L810 VanDerWaalsContact CA-O 3.24Å; C802-L810 WeakPolarHBondContact CA-O 3.47Å; C802-F839 HydrophobicContact CB-CE1 4.32Å; C802-F839 HydrophobicContact CB-CZ 4.43Å; C802-L841 HydrophobicContact CB-CD1 4.02Å; C802-L841 HydrophobicContact CB-CD2 3.94Å
803G95.5Very high91.2Very high0 Ų037.1 Ų37.10%019%0.185CC..EExtended strand (participates in β ladder)trans-146.3141.7176.600000112.2I787 I809 L810I787-G803 CarbonylContact O-C 3.56Å; I787-G803 WeakPolarHBondContact O-CA 3.47Å; G803-I809 WeakPolarHBondContact O-CA 3.39Å; G803-L810 PolarHBondContact N-O 2.84Å; G803-L810 PolarHBondContact O-N 3.01Å
804A94.6Very high91.6Very high0 Ų037.6 Ų37.60%019%0.187CC..EExtended strand (participates in β ladder)trans-90.7129.8176.100000110.4C785 Y786 I787 S808 M832 L836 F839C785-A804 WeakPolarHBondContact CA-O 3.35Å; Y786-A804 HydrophobicContact CD1-CB 4.44Å; Y786-A804 VanDerWaalsContact CD1-O 3.3Å; Y786-A804 WeakPolarHBondContact CD1-O 3.14Å; Y786-A804 HydrophobicContact CE1-CB 3.74Å; Y786-A804 HydrophobicContact CE2-CB 4.18Å; Y786-A804 PolarHBondContact N-O 2.76Å; Y786-A804 VanDerWaalsContact N-O 3.12Å; I787-A804 HydrophobicContact CG2-CB 3.71Å; I787-A804 PolarHBondContact O-N 2.82Å; A804-S808 WeakPolarHBondContact CA-O 3.48Å; A804-M832 HydrophobicContact CB-CE 4.09Å; A804-L836 HydrophobicContact CB-CD2 3.96Å; A804-F839 HydrophobicContact CB-CE2 3.95Å; A804-F839 HydrophobicContact CB-CZ 3.98Å
805I92.5Very high92Very high13 Ų1335.8 Ų35.87%0.06718%0.175CC..EExtended strand (participates in β ladder)trans-135.3107.5-179-58.7154.6000106.5T782 C785 K807 S808 L810T782-I805 HydrophobicContact CG2-CD1 3.9Å; C785-I805 HydrophobicContact CB-CD1 4.42Å; C785-I805 HydrophobicContact CB-CG1 3.7Å; I805-K807 PolarHBondContact O-N 2.92Å; I805-S808 PolarHBondContact N-O 2.86Å; I805-S808 PolarHBondContact O-N 2.87Å; I805-S808 PolarHBondContact O-OG 2.84Å; I805-L810 HydrophobicContact CD1-CB 3.7Å; I805-L810 HydrophobicContact CD1-CD2 3.98Å; I805-L810 HydrophobicContact CD1-CG 4.49Å
806D88.6Confident92.1Very high120 Ų12036 Ų3664%0.64218%0.181SC*.THydrogen-bonded Turntrans45.5-121.7-171.1-179.760.1000111S808 M832D806-S808 VanDerWaalsContact C-N 3.28Å; D806-S808 PolarHBondContact O-N 2.86Å; D806-M832 WeakPolarHBondContact O-CE 3.36Å
807K89.2Confident92Very high111 Ų11135 Ų3548%0.48318%0.184SC..THydrogen-bonded Turntrans-9231.2179.7-65.5179.2174.1-143.20113I805 V829 P830I805-K807 PolarHBondContact O-N 2.92Å; K807-V829 CarbonylContact O-C 3.53Å; K807-V829 PolarHBondContact O-N 3Å; K807-P830 WeakPolarHBondContact CD-O 3.44Å; K807-P830 WeakPolarHBondContact CE-O 3.22Å; K807-P830 PolarHBondContact NZ-O 3.29Å
808S92.2Very high91.9Very high18 Ų1841.3 Ų41.313%0.12620%0.196CC..EExtended strand (participates in β ladder)trans-138.5150.1-179.573.70000113.4A804 I805 D806 V827A804-S808 WeakPolarHBondContact CA-O 3.48Å; I805-S808 PolarHBondContact N-O 2.86Å; I805-S808 PolarHBondContact O-N 2.87Å; I805-S808 PolarHBondContact O-OG 2.84Å; D806-S808 VanDerWaalsContact C-N 3.28Å; D806-S808 PolarHBondContact O-N 2.86Å; S808-V827 CarbonylContact C-O 3.59Å; S808-V827 VanDerWaalsContact CA-O 3.3Å; S808-V827 WeakPolarHBondContact CA-O 3.41Å
809I94.6Very high91.8Very high0 Ų041.2 Ų41.20%020%0.197CC..EExtended strand (participates in β ladder)trans-106.1113.3167.4-59.1176.4000107.7C802 G803 V811 R826 V827 V829 M832 F839 V852 L854 V870 L872C802-I809 HydrophobicContact CB-CG2 4.32Å; G803-I809 WeakPolarHBondContact O-CA 3.39Å; I809-V811 HydrophobicContact CG2-CG2 4.41Å; I809-R826 WeakPolarHBondContact O-CA 3.49Å; I809-V827 PolarHBondContact N-O 2.77Å; I809-V827 PolarHBondContact O-N 3.3Å; I809-V829 HydrophobicContact CD1-CG2 3.89Å; I809-V829 HydrophobicContact CG1-CG2 4Å; I809-M832 HydrophobicContact CG1-CE 4.07Å; I809-F839 HydrophobicContact CD1-CE2 4.14Å; I809-F839 HydrophobicContact CG1-CE2 4.16Å; I809-F839 HydrophobicContact CG1-CZ 4.43Å; I809-F839 HydrophobicContact CG2-CZ 4.17Å; I809-V852 HydrophobicContact CD1-CB 4.18Å; I809-V852 HydrophobicContact CD1-CG1 4.33Å; I809-V852 HydrophobicContact CD1-CG2 4.01Å; I809-V852 HydrophobicContact CG2-CG2 4.43Å; I809-L854 HydrophobicContact CD1-CD2 4.17Å; I809-V870 HydrophobicContact CD1-CB 4.31Å; I809-V870 HydrophobicContact CD1-CG1 4.22Å; I809-L872 HydrophobicContact CB-CD2 4.33Å; I809-L872 HydrophobicContact CD1-CD2 4.45Å; I809-L872 HydrophobicContact CG2-CD2 3.99Å
810L96Very high91.6Very high0 Ų040.9 Ų40.90%020%0.197CC..EExtended strand (participates in β ladder)trans-73.7135.9164.3166.763.3000109.4L750 T782 C802 G803 I805 M812 E823L750-L810 HydrophobicContact CD1-CD2 3.85Å; T782-L810 HydrophobicContact CG2-CD2 3.42Å; T782-L810 VanDerWaalsContact CG2-CD2 3.42Å; C802-L810 CarbonylContact C-O 3.41Å; C802-L810 VanDerWaalsContact CA-O 3.24Å; C802-L810 WeakPolarHBondContact CA-O 3.47Å; G803-L810 PolarHBondContact N-O 2.84Å; G803-L810 PolarHBondContact O-N 3.01Å; I805-L810 HydrophobicContact CD1-CB 3.7Å; I805-L810 HydrophobicContact CD1-CD2 3.98Å; I805-L810 HydrophobicContact CD1-CG 4.49Å; L810-M812 HydrophobicContact CD1-CG 3.9Å; L810-M812 HydrophobicContact CD2-CG 3.94Å; L810-M812 HydrophobicContact CD2-SD 3.97Å; L810-M812 HydrophobicContact CG-CG 3.81Å; L810-M812 HydrophobicContact CG-SD 4.49Å; L810-E823 HydrophobicContact CD1-CB 3.94Å; L810-E823 HydrophobicContact CD1-CG 3.43Å; L810-E823 VanDerWaalsContact CD1-CG 3.43Å; L810-E823 WeakPolarHBondContact CD1-OE1 3.47Å; L810-E823 WeakPolarHBondContact CD1-OE2 3.41Å
811V96.1Very high91.6Very high0 Ų040.9 Ų40.90%020%0.198CC..EExtended strand (participates in β ladder)trans-120.9120.6173.5-164.70000108.8I809 V824 K825 L849 L872I809-V811 HydrophobicContact CG2-CG2 4.41Å; V811-V824 HydrophobicContact CB-CG2 4.28Å; V811-V824 HydrophobicContact CG1-CG2 4.04Å; V811-V824 WeakPolarHBondContact O-CG2 3.34Å; V811-V824 PolarHBondContact O-N 3.14Å; V811-K825 WeakPolarHBondContact CA-O 3.42Å; V811-K825 HydrophobicContact CB-CB 4.23Å; V811-K825 WeakPolarHBondContact CB-O 3.4Å; V811-K825 HydrophobicContact CG2-CB 4.32Å; V811-K825 PolarHBondContact N-O 2.91Å; V811-K825 PolarHBondContact O-N 3.43Å; V811-L849 HydrophobicContact CG1-CD1 4.43Å; V811-L849 HydrophobicContact CG1-CD2 4.26Å; V811-L872 HydrophobicContact CG1-CD1 4.25Å; V811-L872 HydrophobicContact CG2-CB 4.44Å; V811-L872 HydrophobicContact CG2-CD1 3.69Å; V811-L872 HydrophobicContact CG2-CD2 3.95Å; V811-L872 HydrophobicContact CG2-CG 4.24Å
812M97.1Very high91.4Very high5 Ų543.1 Ų43.13%0.02521%0.209CC..EExtended strand (participates in β ladder)trans-119.4138.7175.8-47.8-175.481.300111.3L750 V779 Y800 L801 L810 F821 I822L750-M812 HydrophobicContact CD1-SD 4.37Å; V779-M812 HydrophobicContact CG1-CE 3.85Å; Y800-M812 CarbonylContact C-O 3.58Å; Y800-M812 VanDerWaalsContact CA-O 3.26Å; Y800-M812 WeakPolarHBondContact CA-O 3.29Å; L801-M812 HydrophobicContact CB-CB 4.35Å; L801-M812 HydrophobicContact CD2-CG 4.38Å; L801-M812 HydrophobicContact CD2-SD 4.12Å; L801-M812 PolarHBondContact N-O 3.18Å; L801-M812 PolarHBondContact O-N 3.24Å; L810-M812 HydrophobicContact CD1-CG 3.9Å; L810-M812 HydrophobicContact CD2-CG 3.94Å; L810-M812 HydrophobicContact CD2-SD 3.97Å; L810-M812 HydrophobicContact CG-CG 3.81Å; L810-M812 HydrophobicContact CG-SD 4.49Å; M812-F821 HydrophobicContact CB-CB 3.91Å; M812-F821 HydrophobicContact CB-CD1 4.41Å; M812-F821 HydrophobicContact CE-CB 4.2Å; M812-F821 HydrophobicContact SD-CB 4.24Å; M812-I822 CarbonylContact C-O 3.57Å; M812-I822 WeakPolarHBondContact CA-O 3.36Å; M812-I822 VanDerWaalsContact CB-O 3.29Å; M812-I822 WeakPolarHBondContact CB-O 3.47Å
813E95.1Very high91.3Very high46 Ų4647.1 Ų47.122%0.21523%0.228CC..EExtended strand (participates in β ladder)trans-104.2143.6175.2-172.7-179.799.900110.8M798 Y800 Y815 F821 I822 V824M798-E813 HydrophobicContact CE-CG 3.86Å; M798-E813 WeakPolarHBondContact CE-OE1 3.46Å; Y800-E813 HydrophobicContact CD1-CB 4.01Å; Y800-E813 HydrophobicContact CD1-CG 4.07Å; Y800-E813 HydrophobicContact CE1-CB 3.95Å; Y800-E813 HydrophobicContact CE1-CG 3.69Å; Y800-E813 WeakPolarHBondContact CE1-OE2 3.33Å; E813-Y815 PolarHBondContact O-N 2.94Å; E813-F821 CarbonylContact O-C 3.56Å; E813-F821 VanDerWaalsContact O-CA 3.3Å; E813-F821 WeakPolarHBondContact O-CA 3.2Å; E813-I822 PolarHBondContact N-O 3.47Å; E813-I822 PolarHBondContact O-N 2.83Å; E813-V824 HydrophobicContact CB-CG1 3.58Å; E813-V824 HydrophobicContact CB-CG2 4.11Å
814W94.6Very high91.1Very high12 Ų1250.2 Ų50.25%0.04525%0.247CC..EExtended strand (participates in β ladder)trans-70.8107.6172.7177.1-94.5000112F736 K737 T739 K799 N816 N819 F821F736-W814 HydrophobicContact CB-CZ3 4.48Å; F736-W814 AromaticContact CD1-CD2 3.51Å; F736-W814 HydrophobicContact CD1-CD2 3.51Å; F736-W814 AromaticContact CD1-CE2 3.64Å; F736-W814 AromaticContact CD1-CE3 3.73Å; F736-W814 HydrophobicContact CD1-CE3 3.73Å; F736-W814 AromaticContact CD1-CG 3.95Å; F736-W814 HydrophobicContact CD1-CG 3.95Å; F736-W814 HydrophobicContact CD1-CH2 4.11Å; F736-W814 AromaticContact CD1-CZ2 3.95Å; F736-W814 HydrophobicContact CD1-CZ2 3.95Å; F736-W814 HydrophobicContact CD1-CZ3 4.01Å; F736-W814 AromaticContact CE1-CD1 3.78Å; F736-W814 AromaticContact CE1-CD2 3.78Å; F736-W814 HydrophobicContact CE1-CD2 3.78Å; F736-W814 AromaticContact CE1-CE2 3.69Å; F736-W814 HydrophobicContact CE1-CE3 4.45Å; F736-W814 AromaticContact CE1-CG 3.81Å; F736-W814 HydrophobicContact CE1-CG 3.81Å; F736-W814 HydrophobicContact CE1-CZ2 4.26Å; F736-W814 AromaticContact CE1-NE1 3.71Å; K737-W814 HydrophobicContact CD-CZ2 3.88Å; K737-W814 HydrophobicContact CG-CZ2 4.14Å; T739-W814 HydrophobicContact CG2-CZ3 4.36Å; K799-W814 HydrophobicContact CB-CB 4.06Å; K799-W814 PolarHBondContact O-N 3.01Å; W814-N816 PolarHBondContact NE1-OD1 2.99Å; W814-N816 PolarHBondContact O-N 3.06Å; W814-N819 HydrophobicContact CH2-CB 4.11Å; W814-N819 VanDerWaalsContact CH2-O 3.31Å; W814-N819 WeakPolarHBondContact CH2-O 3.42Å; W814-N819 VanDerWaalsContact CZ2-CA 3.47Å; W814-N819 HydrophobicContact CZ2-CB 3.91Å; W814-F821 HydrophobicContact CB-CD1 4.13Å; W814-F821 HydrophobicContact CB-CE1 3.87Å; W814-F821 HydrophobicContact CB-CZ 4.34Å; W814-F821 AromaticContact CE3-CD2 3.73Å; W814-F821 HydrophobicContact CE3-CD2 3.73Å; W814-F821 HydrophobicContact CE3-CE1 4.44Å; W814-F821 AromaticContact CE3-CE2 3.64Å; W814-F821 HydrophobicContact CE3-CE2 3.64Å; W814-F821 HydrophobicContact CE3-CG 4.19Å; W814-F821 HydrophobicContact CE3-CZ 4.02Å; W814-F821 HydrophobicContact CZ3-CD2 4.15Å; W814-F821 HydrophobicContact CZ3-CE2 4.1Å
815Y90.7Very high91Very high94 Ų9452.3 Ų52.337%0.36926%0.256SS..EExtended strand (participates in β ladder)trans-93.994-179.9-171.1-113.8000111.4E813 P817 R818 N819 T820 I822E813-Y815 PolarHBondContact O-N 2.94Å; Y815-P817 VanDerWaalsContact C-CD 3.45Å; Y815-P817 VanDerWaalsContact C-N 3.33Å; Y815-P817 HydrophobicContact CD1-CB 4.27Å; Y815-P817 HydrophobicContact CD1-CG 4.41Å; Y815-P817 HydrophobicContact CE1-CB 3.69Å; Y815-P817 HydrophobicContact CE1-CG 3.91Å; Y815-P817 HydrophobicContact CE2-CG 4.06Å; Y815-P817 VanDerWaalsContact O-N 3.15Å; Y815-R818 HydrophobicContact CD1-CB 3.9Å; Y815-R818 HydrophobicContact CD1-CG 3.72Å; Y815-R818 HydrophobicContact CE1-CG 3.89Å; Y815-R818 PolarHBondContact O-N 2.79Å; Y815-N819 PolarHBondContact O-N 2.9Å; Y815-N819 VanDerWaalsContact O-N 3.1Å; Y815-T820 PolarHBondContact N-O 2.89Å; Y815-I822 HydrophobicContact CD1-CD1 4.47Å; Y815-I822 HydrophobicContact CD2-CD1 3.94Å; Y815-I822 HydrophobicContact CG-CD1 3.8Å
816N83.5Confident91Very high98 Ų9855.8 Ų55.852%0.52427%0.268SS..G310 helixtrans-43.1-46.5-179.8-99.6-19.9000114.5K737 W814 R818 N819K737-N816 PolarHBondContact NZ-OD1 3.13Å; W814-N816 PolarHBondContact NE1-OD1 2.99Å; W814-N816 PolarHBondContact O-N 3.06Å; N816-R818 PolarHBondContact O-N 3.18Å; N816-R818 VanDerWaalsContact O-N 3.15Å; N816-N819 PolarHBondContact O-N 3.16Å; N816-N819 PolarHBondContact O-OD1 2.8Å
817P80.9Confident91.1Very high71 Ų7150.7 Ų50.746%0.46124%0.241SC..G310 helixtrans-65-16.7-178.7-23.334.6000115.4R112 Y815R112-P817 PolarHBondContact NH1-O 3.2Å; Y815-P817 VanDerWaalsContact C-CD 3.45Å; Y815-P817 VanDerWaalsContact C-N 3.33Å; Y815-P817 HydrophobicContact CD1-CB 4.27Å; Y815-P817 HydrophobicContact CD1-CG 4.41Å; Y815-P817 HydrophobicContact CE1-CB 3.69Å; Y815-P817 HydrophobicContact CE1-CG 3.91Å; Y815-P817 HydrophobicContact CE2-CG 4.06Å; Y815-P817 VanDerWaalsContact O-N 3.15Å
818R77.5Confident91.2Very high170 Ų17050.5 Ų50.564%0.64224%0.242SC*.G310 helixtrans-107.5-6.8170.8-67.2177.9-177.2179.32.9113.3Y815 N816 T820Y815-R818 HydrophobicContact CD1-CB 3.9Å; Y815-R818 HydrophobicContact CD1-CG 3.72Å; Y815-R818 HydrophobicContact CE1-CG 3.89Å; Y815-R818 PolarHBondContact O-N 2.79Å; N816-R818 PolarHBondContact O-N 3.18Å; N816-R818 VanDerWaalsContact O-N 3.15Å; R818-T820 VanDerWaalsContact C-N 3.27Å; R818-T820 HydrophobicContact CB-CG2 3.82Å; R818-T820 PolarHBondContact O-N 2.59Å
819N85.8Confident91Very high64 Ų6450 Ų5034%0.34224%0.238SC..THydrogen-bonded Turntrans45.151.2-168-78.1-32.8000111.9K737 T739 W814 Y815 N816K737-N819 PolarHBondContact NZ-OD1 2.89Å; T739-N819 PolarHBondContact OG1-O 2.83Å; W814-N819 HydrophobicContact CH2-CB 4.11Å; W814-N819 VanDerWaalsContact CH2-O 3.31Å; W814-N819 WeakPolarHBondContact CH2-O 3.42Å; W814-N819 VanDerWaalsContact CZ2-CA 3.47Å; W814-N819 HydrophobicContact CZ2-CB 3.91Å; Y815-N819 PolarHBondContact O-N 2.9Å; Y815-N819 VanDerWaalsContact O-N 3.1Å; N816-N819 PolarHBondContact O-N 3.16Å; N816-N819 PolarHBondContact O-OD1 2.8Å
820T90Very high90.4Very high30 Ų3052 Ų5218%0.18425%0.251CS..EExtended strand (participates in β ladder)trans-152.3162.4172.6-174.80000109.5S752 Y815 R818 I822S752-T820 PolarHBondContact OG-OG1 2.72Å; Y815-T820 PolarHBondContact N-O 2.89Å; R818-T820 VanDerWaalsContact C-N 3.27Å; R818-T820 HydrophobicContact CB-CG2 3.82Å; R818-T820 PolarHBondContact O-N 2.59Å; T820-I822 HydrophobicContact CG2-CG2 4.36Å
821F93.9Very high89.6Confident6 Ų655.3 Ų55.33%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-70.5142.1163.6-68.5-86.3000110.6F734 M741 V790 K799 L801 M812 E813 W814F734-F821 HydrophobicContact CD1-CE2 4.46Å; F734-F821 HydrophobicContact CE1-CE2 4.23Å; F734-F821 HydrophobicContact CE1-CZ 4.15Å; M741-F821 HydrophobicContact CG-CD2 3.55Å; M741-F821 HydrophobicContact CG-CE2 3.92Å; M741-F821 HydrophobicContact SD-CB 4.48Å; M741-F821 HydrophobicContact SD-CD2 3.88Å; V790-F821 HydrophobicContact CG1-CE1 4.45Å; V790-F821 HydrophobicContact CG1-CZ 4.03Å; K799-F821 HydrophobicContact CB-CE1 4.3Å; K799-F821 HydrophobicContact CB-CZ 4.49Å; L801-F821 HydrophobicContact CB-CD1 3.64Å; L801-F821 HydrophobicContact CB-CE1 3.74Å; L801-F821 HydrophobicContact CB-CG 4.06Å; L801-F821 HydrophobicContact CB-CZ 4.23Å; L801-F821 HydrophobicContact CD1-CD2 4.2Å; L801-F821 HydrophobicContact CD1-CE2 4.42Å; L801-F821 HydrophobicContact CD1-CG 4.35Å; M812-F821 HydrophobicContact CB-CB 3.91Å; M812-F821 HydrophobicContact CB-CD1 4.41Å; M812-F821 HydrophobicContact CE-CB 4.2Å; M812-F821 HydrophobicContact SD-CB 4.24Å; E813-F821 CarbonylContact O-C 3.56Å; E813-F821 VanDerWaalsContact O-CA 3.3Å; E813-F821 WeakPolarHBondContact O-CA 3.2Å; W814-F821 HydrophobicContact CB-CD1 4.13Å; W814-F821 HydrophobicContact CB-CE1 3.87Å; W814-F821 HydrophobicContact CB-CZ 4.34Å; W814-F821 AromaticContact CE3-CD2 3.73Å; W814-F821 HydrophobicContact CE3-CD2 3.73Å; W814-F821 HydrophobicContact CE3-CE1 4.44Å; W814-F821 AromaticContact CE3-CE2 3.64Å; W814-F821 HydrophobicContact CE3-CE2 3.64Å; W814-F821 HydrophobicContact CE3-CG 4.19Å; W814-F821 HydrophobicContact CE3-CZ 4.02Å; W814-F821 HydrophobicContact CZ3-CD2 4.15Å; W814-F821 HydrophobicContact CZ3-CE2 4.1Å
822I93.4Very high89Confident48 Ų4856.4 Ų56.425%0.24628%0.279CS..EExtended strand (participates in β ladder)trans-124.5141.9172.165.1175.4000109.5M812 E813 Y815 T820 V824M812-I822 CarbonylContact C-O 3.57Å; M812-I822 WeakPolarHBondContact CA-O 3.36Å; M812-I822 VanDerWaalsContact CB-O 3.29Å; M812-I822 WeakPolarHBondContact CB-O 3.47Å; E813-I822 PolarHBondContact N-O 3.47Å; E813-I822 PolarHBondContact O-N 2.83Å; Y815-I822 HydrophobicContact CD1-CD1 4.47Å; Y815-I822 HydrophobicContact CD2-CD1 3.94Å; Y815-I822 HydrophobicContact CG-CD1 3.8Å; T820-I822 HydrophobicContact CG2-CG2 4.36Å; I822-V824 HydrophobicContact CG1-CG1 4.28Å; I822-V824 PolarHBondContact O-N 2.6Å
823E94.7Very high88.3Confident83 Ų8356.3 Ų56.339%0.38828%0.278SS..EExtended strand (participates in β ladder)trans-62.1130.3173.3178.6158-172.500110L810 R826L810-E823 HydrophobicContact CD1-CB 3.94Å; L810-E823 HydrophobicContact CD1-CG 3.43Å; L810-E823 VanDerWaalsContact CD1-CG 3.43Å; L810-E823 WeakPolarHBondContact CD1-OE1 3.47Å; L810-E823 WeakPolarHBondContact CD1-OE2 3.41Å; E823-R826 IonicContact OE1-CZ 3.25Å; E823-R826 IonicContact OE1-NE 3.39Å; E823-R826 PolarHBondContact OE1-NE 3Å; E823-R826 IonicContact OE1-NH2 2.7Å; E823-R826 PolarHBondContact OE1-NH2 3.02Å; E823-R826 VanDerWaalsContact OE1-NH2 3.08Å; E823-R826 IonicContact OE2-CZ 2.8Å; E823-R826 IonicContact OE2-NH2 2.98Å; E823-R826 PolarHBondContact OE2-NH2 3Å
824V92.7Very high87.4Confident66 Ų6661.6 Ų61.640%0.431%0.308SS..EExtended strand (participates in β ladder)trans-120-26.2178.5-69.20000112.8V811 E813 I822 L849V811-V824 HydrophobicContact CB-CG2 4.28Å; V811-V824 HydrophobicContact CG1-CG2 4.04Å; V811-V824 WeakPolarHBondContact O-CG2 3.34Å; V811-V824 PolarHBondContact O-N 3.14Å; E813-V824 HydrophobicContact CB-CG1 3.58Å; E813-V824 HydrophobicContact CB-CG2 4.11Å; I822-V824 HydrophobicContact CG1-CG1 4.28Å; I822-V824 PolarHBondContact O-N 2.6Å; V824-L849 HydrophobicContact CG2-CD2 4.46Å
825K92.1Very high86.5Confident44 Ų4465.2 Ų65.219%0.19133%0.334CS..EExtended strand (participates in β ladder)trans-159.4152.5175.3-166.6168.8178.5-179.30110.3V811 V827 L849 L872 E874 N875V811-K825 WeakPolarHBondContact CA-O 3.42Å; V811-K825 HydrophobicContact CB-CB 4.23Å; V811-K825 WeakPolarHBondContact CB-O 3.4Å; V811-K825 HydrophobicContact CG2-CB 4.32Å; V811-K825 PolarHBondContact N-O 2.91Å; V811-K825 PolarHBondContact O-N 3.43Å; K825-V827 HydrophobicContact CD-CG2 4.1Å; K825-V827 HydrophobicContact CG-CG2 4.09Å; K825-L849 HydrophobicContact CB-CD1 4.46Å; K825-L849 HydrophobicContact CD-CD1 4.08Å; K825-L872 WeakPolarHBondContact CD-O 3.35Å; K825-L872 PolarHBondContact NZ-O 3.29Å; K825-E874 PolarHBondContact NZ-O 3.05Å; K825-N875 PolarHBondContact NZ-OD1 2.86Å
826R92.1Very high86.2Confident86 Ų8661.7 Ų61.733%0.32532%0.321SS..EExtended strand (participates in β ladder)trans-123.4140163-161.1169.1-65.9-139.45.6108.3D781 I809 E823D781-R826 PolarHBondContact O-NH1 2.69Å; D781-R826 PolarHBondContact O-NH2 3.43Å; D781-R826 VanDerWaalsContact O-NH2 3.08Å; I809-R826 WeakPolarHBondContact O-CA 3.49Å; E823-R826 IonicContact OE1-CZ 3.25Å; E823-R826 IonicContact OE1-NE 3.39Å; E823-R826 PolarHBondContact OE1-NE 3Å; E823-R826 IonicContact OE1-NH2 2.7Å; E823-R826 PolarHBondContact OE1-NH2 3.02Å; E823-R826 VanDerWaalsContact OE1-NH2 3.08Å; E823-R826 IonicContact OE2-CZ 2.8Å; E823-R826 IonicContact OE2-NH2 2.98Å; E823-R826 PolarHBondContact OE2-NH2 3Å
827V91.6Very high85.9Confident12 Ų1259.6 Ų59.67%0.07331%0.309CS..EExtended strand (participates in β ladder)trans-126.8124.8-175.8179.10000109S808 I809 K825 V870 L872S808-V827 CarbonylContact C-O 3.59Å; S808-V827 VanDerWaalsContact CA-O 3.3Å; S808-V827 WeakPolarHBondContact CA-O 3.41Å; I809-V827 PolarHBondContact N-O 2.77Å; I809-V827 PolarHBondContact O-N 3.3Å; K825-V827 HydrophobicContact CD-CG2 4.1Å; K825-V827 HydrophobicContact CG-CG2 4.09Å; V827-V870 HydrophobicContact CG1-CG1 4.12Å; V827-L872 HydrophobicContact CB-CD2 4.03Å; V827-L872 HydrophobicContact CG1-CD2 4.41Å; V827-L872 HydrophobicContact CG2-CD2 3.73Å
828E90.4Very high86.3Confident108 Ų10856.3 Ų56.351%0.50529%0.288SS..EExtended strand (participates in β ladder)trans-76.6137.2176.6-64.9-178.7152.100111.2N877E828-N877 PolarHBondContact OE2-ND2 3.38Å
829V88.3Confident87.1Confident7 Ų748.2 Ų48.24%0.04226%0.257CS..  trans-131.182.1174.4-173.40000106.9K807 I809 C831 M832 L854 V870K807-V829 CarbonylContact O-C 3.53Å; K807-V829 PolarHBondContact O-N 3Å; I809-V829 HydrophobicContact CD1-CG2 3.89Å; I809-V829 HydrophobicContact CG1-CG2 4Å; V829-C831 PolarHBondContact O-N 2.92Å; V829-M832 HydrophobicContact CB-CE 4.06Å; V829-M832 HydrophobicContact CB-SD 4.39Å; V829-M832 HydrophobicContact CG1-CB 4.46Å; V829-M832 HydrophobicContact CG1-SD 4.29Å; V829-M832 HydrophobicContact CG2-CE 4.39Å; V829-M832 PolarHBondContact O-N 3.03Å; V829-L854 HydrophobicContact CG1-CD1 3.89Å; V829-V870 HydrophobicContact CG2-CG1 4.27Å; V829-V870 HydrophobicContact CG2-CG2 4.19Å
830P81.2Confident87.5Confident42 Ų4245.8 Ų45.827%0.27324%0.244SC..THydrogen-bonded Turntrans-59.4-25.1-170.9-28.438.3000114.6K807 W880K807-P830 WeakPolarHBondContact CD-O 3.44Å; K807-P830 WeakPolarHBondContact CE-O 3.22Å; K807-P830 PolarHBondContact NZ-O 3.29Å; P830-W880 HydrophobicContact CB-CZ2 4.26Å; P830-W880 HydrophobicContact CG-CZ2 3.76Å
831C79Confident87.7Confident69 Ų6945.3 Ų45.347%0.46624%0.241SC..THydrogen-bonded Turntrans-111.752.1175.2-58.30000110.9V829 F887V829-C831 PolarHBondContact O-N 2.92Å; C831-F887 HydrophobicContact CB-CE2 4.26Å; C831-F887 VanDerWaalsContact O-CE2 3.25Å; C831-F887 WeakPolarHBondContact O-CE2 3.49Å; C831-F887 VanDerWaalsContact O-CZ 3.28Å; C831-F887 WeakPolarHBondContact O-CZ 3.46Å
832M83.8Confident87.7Confident24 Ų2445.2 Ų45.212%0.11824%0.24CC..  trans-58.5131.2170.7-17073.980.800109.9Y786 A804 D806 I809 V829 L836 L854Y786-M832 WeakPolarHBondContact OH-CG 3.11Å; A804-M832 HydrophobicContact CB-CE 4.09Å; D806-M832 WeakPolarHBondContact O-CE 3.36Å; I809-M832 HydrophobicContact CG1-CE 4.07Å; V829-M832 HydrophobicContact CB-CE 4.06Å; V829-M832 HydrophobicContact CB-SD 4.39Å; V829-M832 HydrophobicContact CG1-CB 4.46Å; V829-M832 HydrophobicContact CG1-SD 4.29Å; V829-M832 HydrophobicContact CG2-CE 4.39Å; V829-M832 PolarHBondContact O-N 3.03Å; M832-L836 HydrophobicContact SD-CD2 4.08Å; M832-L854 HydrophobicContact SD-CD1 4.11Å; M832-L854 HydrophobicContact SD-CD2 4.46Å
833P82.5Confident87.7Confident2 Ų243.1 Ų43.11%0.01323%0.23CC..  trans-60.5140.5174.9-17.725.9000111.9L836 L854 F887P833-L836 HydrophobicContact CB-CD1 4.02Å; P833-L836 HydrophobicContact CG-CD1 3.8Å; P833-L836 PolarHBondContact O-N 3.01Å; P833-L854 HydrophobicContact CG-CB 3.98Å; P833-F887 HydrophobicContact CB-CD1 4.23Å; P833-F887 HydrophobicContact CB-CE1 4.21Å; P833-F887 HydrophobicContact CB-CZ 4.45Å; P833-F887 HydrophobicContact CG-CD1 4.16Å; P833-F887 HydrophobicContact CG-CE1 3.65Å; P833-F887 HydrophobicContact CG-CE2 4.5Å; P833-F887 HydrophobicContact CG-CZ 3.84Å
834N77.1Confident87.4Confident158 Ų15840.9 Ų40.985%0.84522%0.22SC*.SBendtrans-139.4111.6175-173.712.1000109.8
835P75.9Confident87Confident88 Ų8839.7 Ų39.757%0.57121%0.214SC*.SBendcis-67.8146.7-1.130-36.3000112.9L837P835-L837 HydrophobicContact CB-CD2 4.23Å; P835-L837 HydrophobicContact CG-CD2 3.91Å; P835-L837 HydrophobicContact CG-CG 4.44Å; P835-L837 PolarHBondContact O-N 3.28Å; P835-L837 VanDerWaalsContact O-N 3.16Å
836L83.3Confident86.7Confident19 Ų1945.3 Ų45.310%0.09925%0.246CC..  trans-81.691.8174.2-177.455.6000110Y786 I787 A804 M832 P833 N838 F839 L854Y786-L836 HydrophobicContact CE2-CB 3.94Å; Y786-L836 HydrophobicContact CE2-CD2 3.84Å; Y786-L836 WeakPolarHBondContact OH-CD2 3.48Å; I787-L836 HydrophobicContact CG2-CD2 3.94Å; A804-L836 HydrophobicContact CB-CD2 3.96Å; M832-L836 HydrophobicContact SD-CD2 4.08Å; P833-L836 HydrophobicContact CB-CD1 4.02Å; P833-L836 HydrophobicContact CG-CD1 3.8Å; P833-L836 PolarHBondContact O-N 3.01Å; L836-N838 WeakPolarHBondContact CD1-O 3.26Å; L836-F839 HydrophobicContact CD2-CD2 3.79Å; L836-F839 HydrophobicContact CD2-CE2 4.34Å; L836-F839 HydrophobicContact CD2-CG 4.38Å; L836-L854 HydrophobicContact CD1-CB 3.98Å; L836-L854 HydrophobicContact CD1-CD2 4.12Å
837L78Confident86.4Confident54 Ų5443.1 Ų43.128%0.28324%0.24SC..  trans-73.1-28.7-173.8-60.4-179.2000114.1P835 Q890P835-L837 HydrophobicContact CB-CD2 4.23Å; P835-L837 HydrophobicContact CG-CD2 3.91Å; P835-L837 HydrophobicContact CG-CG 4.44Å; P835-L837 PolarHBondContact O-N 3.28Å; P835-L837 VanDerWaalsContact O-N 3.16Å; L837-Q890 HydrophobicContact CD1-CG 4.49Å
838N89Confident86.2Confident2 Ų246.2 Ų46.21%0.01126%0.259CS..  trans-130.6144.2179.5-53110.6000110.3L836 C853 L854 V893L836-N838 WeakPolarHBondContact CD1-O 3.26Å; N838-C853 CarbonylContact C-O 3.6Å; N838-L854 CarbonylContact O-C 3.56Å; N838-L854 WeakPolarHBondContact O-CA 3.43Å; N838-V893 PolarHBondContact ND2-O 2.92Å
839F93.5Very high86.2Confident0 Ų042.1 Ų42.10%024%0.24CC..  trans-151.863.8175.5-162.4-115.9000108.6I787 T789 C802 A804 I809 L836 V852 C853 L854I787-F839 HydrophobicContact CD1-CB 3.68Å; I787-F839 HydrophobicContact CD1-CG 4.4Å; I787-F839 HydrophobicContact CG1-CB 4.26Å; I787-F839 HydrophobicContact CG1-CD1 4.17Å; I787-F839 HydrophobicContact CG2-CB 4.3Å; I787-F839 HydrophobicContact CG2-CD1 3.88Å; I787-F839 HydrophobicContact CG2-CD2 4.44Å; I787-F839 HydrophobicContact CG2-CE1 4.27Å; I787-F839 HydrophobicContact CG2-CG 3.98Å; T789-F839 HydrophobicContact CG2-CD1 3.46Å; T789-F839 VanDerWaalsContact CG2-CD1 3.46Å; T789-F839 HydrophobicContact CG2-CE1 3.68Å; T789-F839 HydrophobicContact CG2-CG 4.49Å; T789-F839 WeakPolarHBondContact CG2-O 3.37Å; C802-F839 HydrophobicContact CB-CE1 4.32Å; C802-F839 HydrophobicContact CB-CZ 4.43Å; A804-F839 HydrophobicContact CB-CE2 3.95Å; A804-F839 HydrophobicContact CB-CZ 3.98Å; I809-F839 HydrophobicContact CD1-CE2 4.14Å; I809-F839 HydrophobicContact CG1-CE2 4.16Å; I809-F839 HydrophobicContact CG1-CZ 4.43Å; I809-F839 HydrophobicContact CG2-CZ 4.17Å; L836-F839 HydrophobicContact CD2-CD2 3.79Å; L836-F839 HydrophobicContact CD2-CE2 4.34Å; L836-F839 HydrophobicContact CD2-CG 4.38Å; F839-V852 HydrophobicContact CD2-CG1 3.69Å; F839-V852 HydrophobicContact CE2-CG1 3.67Å; F839-V852 HydrophobicContact CG-CG1 4.36Å; F839-V852 HydrophobicContact CZ-CG1 4.31Å; F839-C853 WeakPolarHBondContact CA-O 3.26Å; F839-L854 HydrophobicContact CD2-CD2 3.61Å; F839-L854 HydrophobicContact CE2-CD2 3.83Å
840D94.3Very high86.5Confident14 Ų1441.8 Ų41.88%0.07524%0.238CC..EExtended strand (participates in β ladder)trans-101.1134.3-171-66.7-56000110.8C853 V896D840-C853 HydrophobicContact CB-CB 4.36Å; D840-C853 PolarHBondContact N-O 3.39Å; D840-C853 VanDerWaalsContact N-O 3.14Å; D840-C853 PolarHBondContact O-N 2.81Å; D840-V896 HydrophobicContact CB-CB 4.24Å; D840-V896 VanDerWaalsContact CB-O 3.3Å; D840-V896 WeakPolarHBondContact CB-O 3.43Å; D840-V896 VanDerWaalsContact CG-O 3.32Å; D840-V896 PolarHBondContact OD2-N 3.4Å
841L94.8Very high87.1Confident20 Ų2040.1 Ų40.111%0.10523%0.227CC..EExtended strand (participates in β ladder)trans-98.8129.6-177.7-62.4-174000112T789 V791 C802 P850 V852T789-L841 HydrophobicContact CG2-CD1 3.73Å; T789-L841 HydrophobicContact CG2-CD2 4.08Å; T789-L841 HydrophobicContact CG2-CG 3.58Å; V791-L841 HydrophobicContact CB-CB 3.84Å; V791-L841 HydrophobicContact CB-CD1 3.81Å; V791-L841 HydrophobicContact CB-CG 4.47Å; V791-L841 HydrophobicContact CG1-CB 3.91Å; V791-L841 HydrophobicContact CG1-CD1 3.5Å; V791-L841 VanDerWaalsContact CG1-CD1 3.5Å; V791-L841 HydrophobicContact CG1-CG 4.36Å; V791-L841 HydrophobicContact CG2-CB 4.26Å; C802-L841 HydrophobicContact CB-CD1 4.02Å; C802-L841 HydrophobicContact CB-CD2 3.94Å; L841-P850 HydrophobicContact CB-CB 4.19Å; L841-P850 HydrophobicContact CD1-CG 4.22Å; L841-P850 HydrophobicContact CD2-CB 4.31Å; L841-P850 HydrophobicContact CD2-CG 4.25Å; L841-V852 HydrophobicContact CD2-CB 4.22Å; L841-V852 HydrophobicContact CD2-CG1 4.05Å; L841-V852 HydrophobicContact CD2-CG2 3.68Å
842I94Very high87.8Confident3 Ų336.9 Ų36.92%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-116.6127.8-176.3-60.6171000108.9P850 T851 C853 L869 L904 M917I842-P850 WeakPolarHBondContact O-CA 3.49Å; I842-T851 PolarHBondContact N-O 3.4Å; I842-T851 PolarHBondContact O-N 3.23Å; I842-C853 HydrophobicContact CD1-CB 4.18Å; I842-L869 HydrophobicContact CD1-CD2 3.96Å; I842-L904 HydrophobicContact CD1-CD1 3.86Å; I842-L904 HydrophobicContact CD1-CD2 4.08Å; I842-L904 HydrophobicContact CG1-CD2 4.26Å; I842-L904 HydrophobicContact CG2-CD2 4.16Å; I842-M917 HydrophobicContact CG2-CE 3.44Å; I842-M917 VanDerWaalsContact CG2-CE 3.44Å
843I92.7Very high88.3Confident5 Ų535.7 Ų35.73%0.02620%0.199CC..  trans-97.5112.1178.4-60.7-61.6000110.4V791 N793 F795 P850 Q898V791-I843 HydrophobicContact CB-CD1 4.43Å; V791-I843 HydrophobicContact CG1-CD1 3.77Å; V791-I843 HydrophobicContact CG2-CD1 3.77Å; V791-I843 HydrophobicContact CG2-CG1 3.61Å; N793-I843 HydrophobicContact CB-CD1 3.94Å; N793-I843 HydrophobicContact CB-CG2 4.29Å; F795-I843 HydrophobicContact CD2-CG2 3.71Å; F795-I843 HydrophobicContact CE2-CG2 3.82Å; I843-P850 HydrophobicContact CD1-CB 4.12Å; I843-Q898 PolarHBondContact O-NE2 2.88Å
844N88.1Confident88.7Confident35 Ų3535.9 Ų35.919%0.18720%0.2CC..  trans-91.1125.9166.8-65-52.7000109.6N846 Q847 T851 M917N844-N846 PolarHBondContact O-N 2.9Å; N844-N846 VanDerWaalsContact O-N 3.13Å; N844-Q847 HydrophobicContact CB-CB 4.06Å; N844-Q847 HydrophobicContact CB-CG 4.02Å; N844-Q847 PolarHBondContact ND2-OE1 3.08Å; N844-Q847 PolarHBondContact O-N 2.93Å; N844-T851 PolarHBondContact ND2-OG1 3.28Å; N844-M917 WeakPolarHBondContact OD1-CE 3.39Å
845P85.4Confident89.3Confident42 Ų4228.4 Ų28.427%0.27316%0.16SC..THydrogen-bonded Turntrans-54.9-35.3-178.5-25.632000114F795 Q847 T901F795-P845 HydrophobicContact CD1-CB 4.37Å; F795-P845 HydrophobicContact CD2-CB 4.01Å; F795-P845 HydrophobicContact CD2-CG 4.01Å; F795-P845 HydrophobicContact CE1-CG 4.27Å; F795-P845 HydrophobicContact CE2-CB 4.24Å; F795-P845 HydrophobicContact CE2-CG 3.72Å; F795-P845 HydrophobicContact CG-CB 4.1Å; F795-P845 HydrophobicContact CG-CG 4.43Å; F795-P845 HydrophobicContact CZ-CG 3.87Å; P845-Q847 VanDerWaalsContact C-N 3.27Å; P845-Q847 PolarHBondContact O-N 3.28Å; P845-T901 HydrophobicContact CG-CG2 3.6Å
846N85.8Confident90.1Very high161 Ų16124.2 Ų24.286%0.86113%0.133SC*.THydrogen-bonded Turntrans-76.8-10.1-177-60.6-11.6000113.4N844N844-N846 PolarHBondContact O-N 2.9Å; N844-N846 VanDerWaalsContact O-N 3.13Å
847Q85.9Confident90.4Very high41 Ų4123.6 Ų23.619%0.19213%0.13CC..  trans-107.8159.5-174.7-72.3-178.4-21.300112.1K796 N844 P845 T851 N871 N873K796-Q847 PolarHBondContact NZ-O 3.14Å; N844-Q847 HydrophobicContact CB-CB 4.06Å; N844-Q847 HydrophobicContact CB-CG 4.02Å; N844-Q847 PolarHBondContact ND2-OE1 3.08Å; N844-Q847 PolarHBondContact O-N 2.93Å; P845-Q847 VanDerWaalsContact C-N 3.27Å; P845-Q847 PolarHBondContact O-N 3.28Å; Q847-T851 PolarHBondContact OE1-OG1 3.17Å; Q847-N871 PolarHBondContact NE2-ND2 2.8Å; Q847-N871 VanDerWaalsContact NE2-ND2 3.13Å; Q847-N871 PolarHBondContact NE2-OD1 2.84Å; Q847-N873 PolarHBondContact OE1-ND2 3.45Å
848T86.6Confident91Very high77 Ų7723.9 Ų23.947%0.47214%0.137SC..SBendtrans-87.8-56.417637.90000110.7N793 Y800 N873N793-T848 PolarHBondContact ND2-O 3.45Å; Y800-T848 WeakPolarHBondContact CE2-O 3.39Å; Y800-T848 VanDerWaalsContact CZ-O 3.31Å; Y800-T848 PolarHBondContact OH-O 3.11Å; T848-N873 PolarHBondContact N-OD1 2.87Å; T848-N873 PolarHBondContact OG1-OD1 2.87Å; T848-N873 VanDerWaalsContact OG1-OD1 3.09Å
849L91.9Very high91Very high21 Ų2126.1 Ų26.111%0.1115%0.15CC..SBendtrans-87.4157.4178.6-54.5-177.7000111Y800 V811 V824 K825 L872 N873Y800-L849 HydrophobicContact CD1-CD2 4.04Å; Y800-L849 HydrophobicContact CE1-CD2 3.54Å; V811-L849 HydrophobicContact CG1-CD1 4.43Å; V811-L849 HydrophobicContact CG1-CD2 4.26Å; V824-L849 HydrophobicContact CG2-CD2 4.46Å; K825-L849 HydrophobicContact CB-CD1 4.46Å; K825-L849 HydrophobicContact CD-CD1 4.08Å; L849-L872 HydrophobicContact CB-CB 3.98Å; L849-L872 HydrophobicContact CD1-CB 4.16Å; L849-N873 PolarHBondContact N-OD1 3.17Å; L849-N873 PolarHBondContact O-ND2 2.73Å; L849-N873 PolarHBondContact O-OD1 2.76Å
850P93.6Very high90.8Very high0 Ų033 Ų330%020%0.195CC..PPolyproline II helixtrans-67.4164.3173.323.9-28.6000112.9V791 L841 I842 I843 L872V791-P850 HydrophobicContact CG1-CB 4.15Å; V791-P850 HydrophobicContact CG1-CG 4.04Å; L841-P850 HydrophobicContact CB-CB 4.19Å; L841-P850 HydrophobicContact CD1-CG 4.22Å; L841-P850 HydrophobicContact CD2-CB 4.31Å; L841-P850 HydrophobicContact CD2-CG 4.25Å; I842-P850 WeakPolarHBondContact O-CA 3.49Å; I843-P850 HydrophobicContact CD1-CB 4.12Å; P850-L872 HydrophobicContact CG-CD1 4.01Å; P850-L872 WeakPolarHBondContact O-CB 3.37Å; P850-L872 WeakPolarHBondContact O-CD1 3.34Å; P850-L872 WeakPolarHBondContact O-CG 3.42Å
851T93.7Very high90.6Very high8 Ų836 Ų365%0.04921%0.211CC..EExtended strand (participates in β ladder)trans-96.5140.5158.9-65.10000108.2I842 N844 Q847 L869 V870I842-T851 PolarHBondContact N-O 3.4Å; I842-T851 PolarHBondContact O-N 3.23Å; N844-T851 PolarHBondContact ND2-OG1 3.28Å; Q847-T851 PolarHBondContact OE1-OG1 3.17Å; T851-L869 HydrophobicContact CG2-CB 3.83Å; T851-L869 HydrophobicContact CG2-CD1 4.39Å; T851-L869 HydrophobicContact CG2-CD2 4.2Å; T851-L869 HydrophobicContact CG2-CG 4.36Å; T851-V870 WeakPolarHBondContact CA-O 3.48Å
852V94Very high90.3Very high0 Ų040.4 Ų40.40%024%0.241CC..EExtended strand (participates in β ladder)trans-102.9130.3179.1-165.20000110I809 F839 L841 L854 L869 V870 L872I809-V852 HydrophobicContact CD1-CB 4.18Å; I809-V852 HydrophobicContact CD1-CG1 4.33Å; I809-V852 HydrophobicContact CD1-CG2 4.01Å; I809-V852 HydrophobicContact CG2-CG2 4.43Å; F839-V852 HydrophobicContact CD2-CG1 3.69Å; F839-V852 HydrophobicContact CE2-CG1 3.67Å; F839-V852 HydrophobicContact CG-CG1 4.36Å; F839-V852 HydrophobicContact CZ-CG1 4.31Å; L841-V852 HydrophobicContact CD2-CB 4.22Å; L841-V852 HydrophobicContact CD2-CG1 4.05Å; L841-V852 HydrophobicContact CD2-CG2 3.68Å; V852-L854 HydrophobicContact CB-CD2 4.41Å; V852-L854 HydrophobicContact CG1-CD2 3.69Å; V852-L869 CarbonylContact O-C 3.5Å; V852-L869 WeakPolarHBondContact O-CA 3.35Å; V852-V870 PolarHBondContact N-O 2.75Å; V852-V870 PolarHBondContact O-N 2.81Å; V852-L872 HydrophobicContact CG2-CD1 3.7Å; V852-L872 HydrophobicContact CG2-CD2 4.04Å; V852-L872 HydrophobicContact CG2-CG 3.92Å
853C93.6Very high90.1Very high0 Ų043.7 Ų43.70%026%0.258CS..EExtended strand (participates in β ladder)trans-94.3118.6167.8-167.90000109.6N838 F839 D840 I842 G855 L869N838-C853 CarbonylContact C-O 3.6Å; F839-C853 WeakPolarHBondContact CA-O 3.26Å; D840-C853 HydrophobicContact CB-CB 4.36Å; D840-C853 PolarHBondContact N-O 3.39Å; D840-C853 VanDerWaalsContact N-O 3.14Å; D840-C853 PolarHBondContact O-N 2.81Å; I842-C853 HydrophobicContact CD1-CB 4.18Å; C853-G855 PolarHBondContact SG-O 3.34Å; C853-L869 HydrophobicContact CB-CD2 3.79Å
854L92.1Very high90.1Very high6 Ų644.7 Ų44.73%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-96.8-8-179.4-55.6-176.6000113.4I809 V829 M832 P833 L836 N838 F839 V852 H868 V870I809-L854 HydrophobicContact CD1-CD2 4.17Å; V829-L854 HydrophobicContact CG1-CD1 3.89Å; M832-L854 HydrophobicContact SD-CD1 4.11Å; M832-L854 HydrophobicContact SD-CD2 4.46Å; P833-L854 HydrophobicContact CG-CB 3.98Å; L836-L854 HydrophobicContact CD1-CB 3.98Å; L836-L854 HydrophobicContact CD1-CD2 4.12Å; N838-L854 CarbonylContact O-C 3.56Å; N838-L854 WeakPolarHBondContact O-CA 3.43Å; F839-L854 HydrophobicContact CD2-CD2 3.61Å; F839-L854 HydrophobicContact CE2-CD2 3.83Å; V852-L854 HydrophobicContact CB-CD2 4.41Å; V852-L854 HydrophobicContact CG1-CD2 3.69Å; L854-H868 PolarHBondContact N-O 3.46Å; L854-V870 HydrophobicContact CD1-CG2 3.62Å; L854-V870 HydrophobicContact CG-CG2 4.16Å
855G89.7Confident90.4Very high0 Ų044.5 Ų44.50%026%0.261CS..EExtended strand (participates in β ladder)trans163.9176.7-176.800000113.3C853 H868C853-G855 PolarHBondContact SG-O 3.34Å; G855-H868 WeakPolarHBondContact O-CB 3.32Å; G855-H868 PolarHBondContact O-CD2 3.01Å; G855-H868 PolarHBondContact O-N 3.34Å
856V91.4Very high90.7Very high0 Ų045.7 Ų45.70%026%0.262CS..EExtended strand (participates in β ladder)trans-134.6138.5176.1-173.90000109Y865 K866 L867 L891 V893 V896 I906V856-Y865 HydrophobicContact CG1-CD1 3.96Å; V856-Y865 HydrophobicContact CG1-CG 4.14Å; V856-K866 CarbonylContact C-O 3.55Å; V856-K866 WeakPolarHBondContact CA-O 3.38Å; V856-L867 HydrophobicContact CG1-CD2 4.29Å; V856-L867 HydrophobicContact CG2-CD2 3.88Å; V856-L891 HydrophobicContact CG1-CD1 4.42Å; V856-L891 PolarHBondContact O-N 2.84Å; V856-V893 HydrophobicContact CB-CG2 3.86Å; V856-V893 HydrophobicContact CG2-CB 4.46Å; V856-V893 HydrophobicContact CG2-CG1 4.38Å; V856-V893 HydrophobicContact CG2-CG2 3.94Å; V856-V896 HydrophobicContact CG2-CG2 3.83Å; V856-I906 HydrophobicContact CG1-CD1 4.15Å; V856-I906 HydrophobicContact CG2-CD1 4.48Å; V856-I906 HydrophobicContact CG2-CG2 4.16Å
857S90.4Very high90.9Very high6 Ų639 Ų394%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-118.1157.9167.9-70.70000111.4K866 H868 D889S857-K866 PolarHBondContact N-O 3.08Å; S857-K866 PolarHBondContact O-N 2.95Å; S857-H868 PolarHBondContact OG-NE2 3.38Å; S857-D889 WeakPolarHBondContact CA-O 3.25Å; S857-D889 WeakPolarHBondContact CB-O 3.36Å; S857-D889 PolarHBondContact OG-O 3.22Å
858S89.7Confident91.1Very high60 Ų6037.9 Ų37.942%0.4222%0.221SC..  trans-65.1166.8164.846.10000110.9
859T89.2Confident91.3Very high49 Ų4937.1 Ų37.130%0.30121%0.214SC..  trans-133171162.980.60000109D861 V864 K866T859-D861 PolarHBondContact O-N 3.47Å; T859-D861 PolarHBondContact OG1-N 2.82Å; T859-D861 PolarHBondContact OG1-O 3.4Å; T859-D861 VanDerWaalsContact OG1-O 3.06Å; T859-V864 WeakPolarHBondContact CB-O 3.46Å; T859-V864 HydrophobicContact CG2-CG1 4.48Å; T859-V864 VanDerWaalsContact CG2-O 3.29Å; T859-V864 WeakPolarHBondContact CG2-O 3.5Å; T859-V864 PolarHBondContact OG1-O 3.08Å; T859-K866 HydrophobicContact CG2-CB 4Å
860P89Confident91.3Very high145 Ų14536.6 Ų36.694%0.94221%0.211SC*.SBendtrans-61.5-16.1172.5-24.736.1000114.5
861D91Very high91.1Very high76 Ų7637.8 Ų37.841%0.40622%0.218SC..SBendtrans-95.3114.3170.7-176.6-16000109.3T859 L863 V864T859-D861 PolarHBondContact O-N 3.47Å; T859-D861 PolarHBondContact OG1-N 2.82Å; T859-D861 PolarHBondContact OG1-O 3.4Å; T859-D861 VanDerWaalsContact OG1-O 3.06Å; D861-L863 PolarHBondContact O-N 3.32Å; D861-L863 VanDerWaalsContact O-N 3.13Å; D861-L863 WeakPolarHBondContact OD1-CB 3.44Å; D861-L863 PolarHBondContact OD1-N 3.21Å; D861-V864 HydrophobicContact CB-CB 4.21Å; D861-V864 HydrophobicContact CB-CG2 4.08Å; D861-V864 PolarHBondContact O-N 2.69Å; D861-V864 VanDerWaalsContact O-O 3.06Å; D861-V864 WeakPolarHBondContact OD2-CG2 3.25Å
862P87.7Confident91.1Very high113 Ų11337.4 Ų37.473%0.73422%0.216SC*.THydrogen-bonded Turntrans-68.1-9.3-178.830-36.3000113.7
863L91.2Very high90.9Very high73 Ų7339.2 Ų39.238%0.38223%0.225SC..THydrogen-bonded Turntrans-95.26.3172.4-58178.4000112.7D861 R920 V921 I929D861-L863 PolarHBondContact O-N 3.32Å; D861-L863 VanDerWaalsContact O-N 3.13Å; D861-L863 WeakPolarHBondContact OD1-CB 3.44Å; D861-L863 PolarHBondContact OD1-N 3.21Å; L863-R920 CarbonylContact O-C 3.41Å; L863-R920 WeakPolarHBondContact O-CA 3.22Å; L863-V921 WeakPolarHBondContact O-CG2 3.25Å; L863-V921 PolarHBondContact O-N 3.03Å; L863-I929 HydrophobicContact CD2-CD1 3.85Å; L863-I929 HydrophobicContact CD2-CG1 4.33Å
864V93.3Very high90.4Very high26 Ų2643 Ų4316%0.15824%0.243CC..BIsolated β-bridgetrans-135.3123.3179.2-171.20000111.7T859 D861 R920T859-V864 WeakPolarHBondContact CB-O 3.46Å; T859-V864 HydrophobicContact CG2-CG1 4.48Å; T859-V864 VanDerWaalsContact CG2-O 3.29Å; T859-V864 WeakPolarHBondContact CG2-O 3.5Å; T859-V864 PolarHBondContact OG1-O 3.08Å; D861-V864 HydrophobicContact CB-CB 4.21Å; D861-V864 HydrophobicContact CB-CG2 4.08Å; D861-V864 PolarHBondContact O-N 2.69Å; D861-V864 VanDerWaalsContact O-O 3.06Å; D861-V864 WeakPolarHBondContact OD2-CG2 3.25Å; V864-R920 HydrophobicContact CG1-CG 4.26Å; V864-R920 HydrophobicContact CG2-CB 4.45Å; V864-R920 HydrophobicContact CG2-CG 3.9Å
865Y92.9Very high89.1Confident30 Ų3049.9 Ų49.912%0.11828%0.28CS..  trans-99.8139.6170.9-65.6-82.2000110.7V856 L867 L891 I906 F908 T913 V915 G919 V921V856-Y865 HydrophobicContact CG1-CD1 3.96Å; V856-Y865 HydrophobicContact CG1-CG 4.14Å; Y865-L867 PolarHBondContact O-N 2.91Å; Y865-L891 HydrophobicContact CD1-CD1 3.75Å; Y865-L891 HydrophobicContact CE1-CD1 3.75Å; Y865-I906 HydrophobicContact CD2-CD1 3.88Å; Y865-I906 HydrophobicContact CG-CD1 3.95Å; Y865-F908 HydrophobicContact CD1-CZ 4.16Å; Y865-F908 HydrophobicContact CE1-CE1 4.31Å; Y865-F908 HydrophobicContact CE1-CE2 4.22Å; Y865-F908 AromaticContact CE1-CZ 3.49Å; Y865-F908 HydrophobicContact CE1-CZ 3.49Å; Y865-F908 VanDerWaalsContact CE1-CZ 3.49Å; Y865-F908 AromaticContact CZ-CE2 3.98Å; Y865-F908 AromaticContact CZ-CZ 3.73Å; Y865-T913 HydrophobicContact CE2-CG2 4.15Å; Y865-V915 HydrophobicContact CD2-CG1 3.93Å; Y865-V915 HydrophobicContact CE2-CG1 4.45Å; Y865-G919 PolarHBondContact N-O 3.15Å; Y865-G919 WeakPolarHBondContact O-CA 3.45Å; Y865-V921 HydrophobicContact CD2-CG2 3.96Å; Y865-V921 HydrophobicContact CE2-CG2 3.65Å
866K91.7Very high87.4Confident67 Ų6752.8 Ų52.829%0.29130%0.3SS..EExtended strand (participates in β ladder)trans-82.4105.2170-173.1-175.4-174-174.10108.8V856 S857 T859 H868 T882 N883 C885V856-K866 CarbonylContact C-O 3.55Å; V856-K866 WeakPolarHBondContact CA-O 3.38Å; S857-K866 PolarHBondContact N-O 3.08Å; S857-K866 PolarHBondContact O-N 2.95Å; T859-K866 HydrophobicContact CG2-CB 4Å; K866-H868 PolarHBondContact O-CD2 2.86Å; K866-T882 PolarHBondContact NZ-O 2.78Å; K866-N883 PolarHBondContact NZ-O 3.09Å; K866-C885 PolarHBondContact NZ-SG 3.18Å
867L91.3Very high85.5Confident21 Ų2156.7 Ų56.711%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-77.4127.1170.9-58.5177.7000109.7V856 Y865 L869 L904 I906V856-L867 HydrophobicContact CG1-CD2 4.29Å; V856-L867 HydrophobicContact CG2-CD2 3.88Å; Y865-L867 PolarHBondContact O-N 2.91Å; L867-L869 HydrophobicContact CB-CD1 4.13Å; L867-L869 HydrophobicContact CB-CD2 3.97Å; L867-L869 HydrophobicContact CB-CG 3.73Å; L867-L869 HydrophobicContact CD1-CD1 4.36Å; L867-L869 PolarHBondContact O-N 2.8Å; L867-L869 VanDerWaalsContact O-N 3.14Å; L867-L904 HydrophobicContact CD1-CD1 3.72Å; L867-I906 HydrophobicContact CD2-CD1 3.86Å
868H89.7Confident83.3Confident17 Ų1759.2 Ų59.28%0.07934%0.339CS..EExtended strand (participates in β ladder)trans-87.779.4178-64.8-109.7000109.3L854 G855 S857 K866 C885 F887L854-H868 PolarHBondContact N-O 3.46Å; G855-H868 WeakPolarHBondContact O-CB 3.32Å; G855-H868 PolarHBondContact O-CD2 3.01Å; G855-H868 PolarHBondContact O-N 3.34Å; S857-H868 PolarHBondContact OG-NE2 3.38Å; K866-H868 PolarHBondContact O-CD2 2.86Å; H868-C885 PolarHBondContact CE1-SG 2.96Å; H868-C885 PolarHBondContact ND1-SG 2.68Å; H868-F887 AromaticContact CE1-CE1 3.76Å; H868-F887 AromaticContact ND1-CE1 3.53Å
869L91Very high81.3Confident62 Ų6257.2 Ų57.233%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-95.6131.8-172.3-60-177.6000112.9I842 T851 V852 C853 L867I842-L869 HydrophobicContact CD1-CD2 3.96Å; T851-L869 HydrophobicContact CG2-CB 3.83Å; T851-L869 HydrophobicContact CG2-CD1 4.39Å; T851-L869 HydrophobicContact CG2-CD2 4.2Å; T851-L869 HydrophobicContact CG2-CG 4.36Å; V852-L869 CarbonylContact O-C 3.5Å; V852-L869 WeakPolarHBondContact O-CA 3.35Å; C853-L869 HydrophobicContact CB-CD2 3.79Å; L867-L869 HydrophobicContact CB-CD1 4.13Å; L867-L869 HydrophobicContact CB-CD2 3.97Å; L867-L869 HydrophobicContact CB-CG 3.73Å; L867-L869 HydrophobicContact CD1-CD1 4.36Å; L867-L869 PolarHBondContact O-N 2.8Å; L867-L869 VanDerWaalsContact O-N 3.14Å
870V90.8Very high79.5Confident9 Ų958.9 Ų58.96%0.05533%0.325CS..EExtended strand (participates in β ladder)trans-110.8111.1169.8-179.60000109.5I809 V827 V829 T851 V852 L854 L872I809-V870 HydrophobicContact CD1-CB 4.31Å; I809-V870 HydrophobicContact CD1-CG1 4.22Å; V827-V870 HydrophobicContact CG1-CG1 4.12Å; V829-V870 HydrophobicContact CG2-CG1 4.27Å; V829-V870 HydrophobicContact CG2-CG2 4.19Å; T851-V870 WeakPolarHBondContact CA-O 3.48Å; V852-V870 PolarHBondContact N-O 2.75Å; V852-V870 PolarHBondContact O-N 2.81Å; L854-V870 HydrophobicContact CD1-CG2 3.62Å; L854-V870 HydrophobicContact CG-CG2 4.16Å; V870-L872 HydrophobicContact CG1-CD2 4.3Å; V870-L872 PolarHBondContact O-N 2.89Å
871N90.7Very high77.3Confident25 Ų2559.5 Ų59.513%0.13431%0.31CS..EExtended strand (participates in β ladder)trans-83.3103.6177.7179.79.2000111Q847 N873 E874Q847-N871 PolarHBondContact NE2-ND2 2.8Å; Q847-N871 VanDerWaalsContact NE2-ND2 3.13Å; Q847-N871 PolarHBondContact NE2-OD1 2.84Å; N871-N873 PolarHBondContact O-N 2.87Å; N871-N873 VanDerWaalsContact O-N 3.09Å; N871-N873 VanDerWaalsContact OD1-CB 3.3Å; N871-N873 WeakPolarHBondContact OD1-CB 3.15Å; N871-N873 PolarHBondContact OD1-N 3.33Å; N871-N873 VanDerWaalsContact OD1-N 3.1Å; N871-N873 PolarHBondContact OD1-ND2 2.82Å; N871-E874 HydrophobicContact CB-CG 4.49Å; N871-E874 WeakPolarHBondContact CB-OE1 3.42Å; N871-E874 PolarHBondContact ND2-OE1 3.29Å; N871-E874 PolarHBondContact O-N 2.89Å
872L92Very high74.9Confident0 Ų060.9 Ų60.90%032%0.321CS..THydrogen-bonded Turntrans-66.6-13.5-177.1-56.2172.5000113.5I809 V811 K825 V827 L849 P850 V852 V870I809-L872 HydrophobicContact CB-CD2 4.33Å; I809-L872 HydrophobicContact CD1-CD2 4.45Å; I809-L872 HydrophobicContact CG2-CD2 3.99Å; V811-L872 HydrophobicContact CG1-CD1 4.25Å; V811-L872 HydrophobicContact CG2-CB 4.44Å; V811-L872 HydrophobicContact CG2-CD1 3.69Å; V811-L872 HydrophobicContact CG2-CD2 3.95Å; V811-L872 HydrophobicContact CG2-CG 4.24Å; K825-L872 WeakPolarHBondContact CD-O 3.35Å; K825-L872 PolarHBondContact NZ-O 3.29Å; V827-L872 HydrophobicContact CB-CD2 4.03Å; V827-L872 HydrophobicContact CG1-CD2 4.41Å; V827-L872 HydrophobicContact CG2-CD2 3.73Å; L849-L872 HydrophobicContact CB-CB 3.98Å; L849-L872 HydrophobicContact CD1-CB 4.16Å; P850-L872 HydrophobicContact CG-CD1 4.01Å; P850-L872 WeakPolarHBondContact O-CB 3.37Å; P850-L872 WeakPolarHBondContact O-CD1 3.34Å; P850-L872 WeakPolarHBondContact O-CG 3.42Å; V852-L872 HydrophobicContact CG2-CD1 3.7Å; V852-L872 HydrophobicContact CG2-CD2 4.04Å; V852-L872 HydrophobicContact CG2-CG 3.92Å; V870-L872 HydrophobicContact CG1-CD2 4.3Å; V870-L872 PolarHBondContact O-N 2.89Å
873N89.9Confident72.7Confident39 Ų3961.8 Ų61.821%0.20932%0.32CS..THydrogen-bonded Turntrans-78.5-19.3178.9-55.6-95.4000112.9Q847 T848 L849 N871Q847-N873 PolarHBondContact OE1-ND2 3.45Å; T848-N873 PolarHBondContact N-OD1 2.87Å; T848-N873 PolarHBondContact OG1-OD1 2.87Å; T848-N873 VanDerWaalsContact OG1-OD1 3.09Å; L849-N873 PolarHBondContact N-OD1 3.17Å; L849-N873 PolarHBondContact O-ND2 2.73Å; L849-N873 PolarHBondContact O-OD1 2.76Å; N871-N873 PolarHBondContact O-N 2.87Å; N871-N873 VanDerWaalsContact O-N 3.09Å; N871-N873 VanDerWaalsContact OD1-CB 3.3Å; N871-N873 WeakPolarHBondContact OD1-CB 3.15Å; N871-N873 PolarHBondContact OD1-N 3.33Å; N871-N873 VanDerWaalsContact OD1-N 3.1Å; N871-N873 PolarHBondContact OD1-ND2 2.82Å
874E84.1Confident70.4Confident80 Ų8064.1 Ų64.137%0.37434%0.343SS..  trans-78.1137.2177-76.2162.9-139.200110.8K825 N871 S879K825-E874 PolarHBondContact NZ-O 3.05Å; N871-E874 HydrophobicContact CB-CG 4.49Å; N871-E874 WeakPolarHBondContact CB-OE1 3.42Å; N871-E874 PolarHBondContact ND2-OE1 3.29Å; N871-E874 PolarHBondContact O-N 2.89Å; E874-S879 VanDerWaalsContact OE2-CB 3.31Å; E874-S879 WeakPolarHBondContact OE2-CB 3.42Å
875N64.8Low68.3Low150 Ų15065.2 Ų65.280%0.80235%0.351SS*.  trans-97.5-2.4-176.6-75-11.1000113.8K825K825-N875 PolarHBondContact NZ-OD1 2.86Å
876S53.7Low66.3Low60 Ų6071.7 Ų71.742%0.4238%0.375SS..SBendtrans-100.8142.7178.142.70000110.8S878S876-S878 WeakPolarHBondContact CB-OG 3.36Å; S876-S878 PolarHBondContact O-N 3.29Å; S876-S878 PolarHBondContact OG-OG 3.09Å
877N50.8Low64.9Low82 Ų8271.5 Ų71.544%0.43938%0.375SS..THydrogen-bonded Turntrans-64.919.5165.1-77.49.9000112.9E828 W880 Y881E828-N877 PolarHBondContact OE2-ND2 3.38Å; N877-W880 PolarHBondContact O-NE1 3.16Å; N877-Y881 VanDerWaalsContact O-CD2 3.32Å; N877-Y881 WeakPolarHBondContact O-CD2 3.32Å; N877-Y881 VanDerWaalsContact O-CE2 3.29Å; N877-Y881 WeakPolarHBondContact O-CE2 3.33Å
878S45.7Very low63.3Low60 Ų6077.3 Ų77.342%0.4240%0.401SS..THydrogen-bonded Turntrans-88.7-14.9176.664.90000113.5S876 W880 Y881S876-S878 WeakPolarHBondContact CB-OG 3.36Å; S876-S878 PolarHBondContact O-N 3.29Å; S876-S878 PolarHBondContact OG-OG 3.09Å; S878-W880 PolarHBondContact O-N 3.46Å; S878-Y881 WeakPolarHBondContact O-CB 3.25Å; S878-Y881 PolarHBondContact O-N 3.36Å
879S47.6Very low62.4Low18 Ų1881.4 Ų81.413%0.12642%0.423CS..THydrogen-bonded Turntrans-62.9-17.1-171.7620000114.2E874E874-S879 VanDerWaalsContact OE2-CB 3.31Å; E874-S879 WeakPolarHBondContact OE2-CB 3.42Å
880W50.3Low61.8Low83 Ų8380.1 Ų80.131%0.31442%0.416SS..THydrogen-bonded Turntrans-99.8-2.7175.362.9-94.1000114.9P830 N877 S878 T882P830-W880 HydrophobicContact CB-CZ2 4.26Å; P830-W880 HydrophobicContact CG-CZ2 3.76Å; N877-W880 PolarHBondContact O-NE1 3.16Å; S878-W880 PolarHBondContact O-N 3.46Å; W880-T882 PolarHBondContact O-N 3.04Å; W880-T882 VanDerWaalsContact O-N 3.17Å
881Y42.7Very low61.7Low158 Ų15881.9 Ų81.962%0.6243%0.425SS*.  trans-78.77.4-172-88.6-95.9000115.3N877 S878 N883N877-Y881 VanDerWaalsContact O-CD2 3.32Å; N877-Y881 WeakPolarHBondContact O-CD2 3.32Å; N877-Y881 VanDerWaalsContact O-CE2 3.29Å; N877-Y881 WeakPolarHBondContact O-CE2 3.33Å; S878-Y881 WeakPolarHBondContact O-CB 3.25Å; S878-Y881 PolarHBondContact O-N 3.36Å; Y881-N883 PolarHBondContact O-N 3.36Å; Y881-N883 VanDerWaalsContact O-N 3.08Å
882T41Very low61.6Low105 Ų10583.9 Ų83.964%0.64443%0.433SS*.SBendtrans-84.381.5179.644.70000112.9K866 W880K866-T882 PolarHBondContact NZ-O 2.78Å; W880-T882 PolarHBondContact O-N 3.04Å; W880-T882 VanDerWaalsContact O-N 3.17Å
883N41.5Very low61.6Low132 Ų13283.9 Ų83.971%0.70643%0.433SS*.SBendtrans63.592.5170.6-59.8-22.9000115.2K866 Y881 C885K866-N883 PolarHBondContact NZ-O 3.09Å; Y881-N883 PolarHBondContact O-N 3.36Å; Y881-N883 VanDerWaalsContact O-N 3.08Å; N883-C885 PolarHBondContact O-N 3.15Å
884S42.9Very low61.6Low123 Ų12382.8 Ų82.886%0.8643%0.427SS*.  trans30.763.9144.4-52.70000116R886S884-R886 PolarHBondContact O-N 2.87Å
885C48.3Very low61.9Low48 Ų4880.1 Ų80.132%0.32441%0.414SS..  trans-67.593175.3-73.70000110.8K866 H868 N883 F887K866-C885 PolarHBondContact NZ-SG 3.18Å; H868-C885 PolarHBondContact CE1-SG 2.96Å; H868-C885 PolarHBondContact ND1-SG 2.68Å; N883-C885 PolarHBondContact O-N 3.15Å; C885-F887 HydrophobicContact CB-CE1 4.09Å; C885-F887 HydrophobicContact CB-CE2 4.33Å; C885-F887 HydrophobicContact CB-CZ 3.92Å; C885-F887 PolarHBondContact O-N 3.35Å
886R52.8Low63.3Low166 Ų16673.2 Ų73.263%0.62638%0.378SS*.  trans-70118.4150.1-58.4-159.2-176.4-164.2-0.7107.3S884 E888S884-R886 PolarHBondContact O-N 2.87Å; R886-E888 HydrophobicContact CB-CB 4.21Å; R886-E888 HydrophobicContact CB-CG 4.19Å; R886-E888 WeakPolarHBondContact CD-OE2 3.39Å; R886-E888 IonicContact CZ-OE2 2.77Å; R886-E888 IonicContact NE-OE2 2.72Å; R886-E888 IonicContact NH1-OE1 3.68Å; R886-E888 IonicContact NH1-OE2 2.64Å; R886-E888 PolarHBondContact NH1-OE2 2.72Å; R886-E888 PolarHBondContact O-N 3.21Å
887F60.4Low65.1Low64 Ų6471.1 Ų71.128%0.28136%0.362SS..G310 helixtrans-762.9173.2-62.2-72.3000112.7C831 P833 H868 C885 D889 Q890C831-F887 HydrophobicContact CB-CE2 4.26Å; C831-F887 VanDerWaalsContact O-CE2 3.25Å; C831-F887 WeakPolarHBondContact O-CE2 3.49Å; C831-F887 VanDerWaalsContact O-CZ 3.28Å; C831-F887 WeakPolarHBondContact O-CZ 3.46Å; P833-F887 HydrophobicContact CB-CD1 4.23Å; P833-F887 HydrophobicContact CB-CE1 4.21Å; P833-F887 HydrophobicContact CB-CZ 4.45Å; P833-F887 HydrophobicContact CG-CD1 4.16Å; P833-F887 HydrophobicContact CG-CE1 3.65Å; P833-F887 HydrophobicContact CG-CE2 4.5Å; P833-F887 HydrophobicContact CG-CZ 3.84Å; H868-F887 AromaticContact CE1-CE1 3.76Å; H868-F887 AromaticContact ND1-CE1 3.53Å; C885-F887 HydrophobicContact CB-CE1 4.09Å; C885-F887 HydrophobicContact CB-CE2 4.33Å; C885-F887 HydrophobicContact CB-CZ 3.92Å; C885-F887 PolarHBondContact O-N 3.35Å; F887-D889 PolarHBondContact O-N 2.77Å; F887-Q890 WeakPolarHBondContact O-CB 3.1Å; F887-Q890 PolarHBondContact O-N 2.85Å; F887-Q890 VanDerWaalsContact O-N 3.08Å
888E59.2Low67.1Low143 Ų14368.7 Ų68.767%0.66835%0.348SS*.G310 helixtrans-51.6-35.9167.8-62.1174.2172.200111.7R886R886-E888 HydrophobicContact CB-CB 4.21Å; R886-E888 HydrophobicContact CB-CG 4.19Å; R886-E888 WeakPolarHBondContact CD-OE2 3.39Å; R886-E888 IonicContact CZ-OE2 2.77Å; R886-E888 IonicContact NE-OE2 2.72Å; R886-E888 IonicContact NH1-OE1 3.68Å; R886-E888 IonicContact NH1-OE2 2.64Å; R886-E888 PolarHBondContact NH1-OE2 2.72Å; R886-E888 PolarHBondContact O-N 3.21Å
889D70.9Confident69.2Low102 Ų10266.8 Ų66.855%0.54533%0.333SS..G310 helixtrans-9621.4178.5-59.5-53.1000113.8S857 F887 L891S857-D889 WeakPolarHBondContact CA-O 3.25Å; S857-D889 WeakPolarHBondContact CB-O 3.36Å; S857-D889 PolarHBondContact OG-O 3.22Å; F887-D889 PolarHBondContact O-N 2.77Å; D889-L891 PolarHBondContact O-N 3.44Å
890Q78.4Confident71.1Confident36 Ų3668.3 Ų68.317%0.16834%0.34CS..BIsolated β-bridgetrans-75.8122.7178.8-175.7162.6-400111.5L837 F887L837-Q890 HydrophobicContact CD1-CG 4.49Å; F887-Q890 WeakPolarHBondContact O-CB 3.1Å; F887-Q890 PolarHBondContact O-N 2.85Å; F887-Q890 VanDerWaalsContact O-N 3.08Å
891L88.9Confident72.9Confident45 Ų4567 Ų6724%0.23634%0.341CS..  trans-76.6144.1177.7-60.6178.1000111.2V856 Y865 D889 V893 F908V856-L891 HydrophobicContact CG1-CD1 4.42Å; V856-L891 PolarHBondContact O-N 2.84Å; Y865-L891 HydrophobicContact CD1-CD1 3.75Å; Y865-L891 HydrophobicContact CE1-CD1 3.75Å; D889-L891 PolarHBondContact O-N 3.44Å; L891-V893 VanDerWaalsContact C-N 3.33Å; L891-V893 HydrophobicContact CB-CG2 4.31Å; L891-V893 PolarHBondContact O-N 2.77Å; L891-F908 HydrophobicContact CB-CE1 4.02Å; L891-F908 HydrophobicContact CD1-CE1 3.8Å; L891-F908 HydrophobicContact CD1-CZ 4.25Å
892Q88Confident75.1Confident68 Ų6866.8 Ų66.832%0.31834%0.339SS..  trans-72.286.2172.1-178155.482.300110I385 R387 P909I385-Q892 HydrophobicContact CD1-CG 4.24Å; R387-Q892 VanDerWaalsContact NH2-OE1 3.1Å; Q892-P909 HydrophobicContact CG-CG 3.99Å; Q892-P909 WeakPolarHBondContact O-CD 3.22Å
893V91.1Very high77.5Confident0 Ų062 Ų620%031%0.31CS..  trans-100.4126.6175.4168.80000109.3L383 N838 V856 L891 K895 V896 I906 C907 F908L383-V893 WeakPolarHBondContact CD1-O 3.15Å; N838-V893 PolarHBondContact ND2-O 2.92Å; V856-V893 HydrophobicContact CB-CG2 3.86Å; V856-V893 HydrophobicContact CG2-CB 4.46Å; V856-V893 HydrophobicContact CG2-CG1 4.38Å; V856-V893 HydrophobicContact CG2-CG2 3.94Å; L891-V893 VanDerWaalsContact C-N 3.33Å; L891-V893 HydrophobicContact CB-CG2 4.31Å; L891-V893 PolarHBondContact O-N 2.77Å; V893-K895 WeakPolarHBondContact CG1-O 3.41Å; V893-V896 HydrophobicContact CG1-CG2 3.94Å; V893-I906 HydrophobicContact CB-CG2 4.42Å; V893-I906 HydrophobicContact CG1-CG2 3.83Å; V893-I906 HydrophobicContact CG2-CG2 3.61Å; V893-C907 CarbonylContact C-O 3.58Å; V893-C907 WeakPolarHBondContact CA-O 3.33Å; V893-C907 WeakPolarHBondContact CG1-O 3.33Å; V893-F908 HydrophobicContact CG2-CD1 3.71Å; V893-F908 HydrophobicContact CG2-CE1 3.36Å; V893-F908 HydrophobicContact CG2-CZ 4Å
894I90Very high80.1Confident16 Ų1655.7 Ų55.78%0.08228%0.276CS..SBendtrans-63.8-46.5174.6-49.9172000110C907 P909 V938 I941I894-C907 HydrophobicContact CB-CB 4.28Å; I894-C907 PolarHBondContact N-O 2.88Å; I894-P909 HydrophobicContact CG1-CG 4.43Å; I894-V938 HydrophobicContact CD1-CB 3.95Å; I894-V938 HydrophobicContact CD1-CG1 3.78Å; I894-V938 WeakPolarHBondContact CD1-O 3.46Å; I894-I941 HydrophobicContact CD1-CD1 4.43Å; I894-I941 HydrophobicContact CD1-CG1 4.38Å
895K90.8Very high82.5Confident24 Ų2449.9 Ų49.910%0.10424%0.236CC..EExtended strand (participates in β ladder)trans-166147.4-169.1-152.5165.6-176.7169.70111.3V893 V897 C907 I941V893-K895 WeakPolarHBondContact CG1-O 3.41Å; K895-V897 HydrophobicContact CB-CG2 4.32Å; K895-V897 HydrophobicContact CD-CG2 3.94Å; K895-V897 HydrophobicContact CG-CG2 3.87Å; K895-C907 PolarHBondContact O-N 3.02Å; K895-I941 WeakPolarHBondContact CD-O 3.41Å; K895-I941 PolarHBondContact NZ-O 3Å
896V93.9Very high84.7Confident5 Ų547.6 Ų47.63%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-111.2113164.6-178.70000108.8D840 V856 V893 L904 L905D840-V896 HydrophobicContact CB-CB 4.24Å; D840-V896 VanDerWaalsContact CB-O 3.3Å; D840-V896 WeakPolarHBondContact CB-O 3.43Å; D840-V896 VanDerWaalsContact CG-O 3.32Å; D840-V896 PolarHBondContact OD2-N 3.4Å; V856-V896 HydrophobicContact CG2-CG2 3.83Å; V893-V896 HydrophobicContact CG1-CG2 3.94Å; V896-L904 HydrophobicContact CG1-CB 4.26Å; V896-L904 HydrophobicContact CG1-CD1 4.14Å; V896-L905 WeakPolarHBondContact CA-O 3.12Å
897V92.1Very high86.7Confident16 Ų1639.7 Ų39.710%0.09719%0.19CC..EExtended strand (participates in β ladder)trans-108.1119.8-174.5-179.40000110.1K895 L899 L904 L905 R943K895-V897 HydrophobicContact CB-CG2 4.32Å; K895-V897 HydrophobicContact CD-CG2 3.94Å; K895-V897 HydrophobicContact CG-CG2 3.87Å; V897-L899 HydrophobicContact CG1-CD2 4.36Å; V897-L899 PolarHBondContact O-N 2.93Å; V897-L904 CarbonylContact O-C 3.53Å; V897-L904 WeakPolarHBondContact O-CA 3.36Å; V897-L905 HydrophobicContact CB-CB 4.37Å; V897-L905 PolarHBondContact N-O 2.9Å; V897-L905 PolarHBondContact O-N 2.97Å; V897-R943 HydrophobicContact CG1-CB 3.74Å; V897-R943 HydrophobicContact CG1-CG 3.76Å
898Q92.4Very high88.3Confident31 Ų3137.3 Ų37.315%0.14518%0.18CC..EExtended strand (participates in β ladder)trans-69.5119.9170.4-177.817417.700110.3I843 D900 L904 R943I843-Q898 PolarHBondContact O-NE2 2.88Å; Q898-D900 WeakPolarHBondContact CG-O 3.37Å; Q898-D900 PolarHBondContact NE2-O 2.91Å; Q898-L904 HydrophobicContact CB-CD2 3.81Å; Q898-L904 HydrophobicContact CG-CD2 3.94Å; Q898-R943 PolarHBondContact O-NH1 2.88Å
899L89.5Confident89.9Confident19 Ų1931.3 Ų31.310%0.09915%0.154CC..  trans-86.3-51.3178.2-61.2-177.4000110.8V897 S903 L905 M914 R943 F961V897-L899 HydrophobicContact CG1-CD2 4.36Å; V897-L899 PolarHBondContact O-N 2.93Å; L899-S903 WeakPolarHBondContact CB-OG 3.45Å; L899-S903 PolarHBondContact N-O 2.78Å; L899-L905 HydrophobicContact CD1-CB 4.09Å; L899-L905 HydrophobicContact CD2-CB 4.02Å; L899-L905 HydrophobicContact CG-CB 4.04Å; L899-M914 HydrophobicContact CD1-CE 3.76Å; L899-M914 HydrophobicContact CD1-CG 4.07Å; L899-M914 HydrophobicContact CD1-SD 4.45Å; L899-R943 PolarHBondContact O-NH1 2.94Å; L899-R943 PolarHBondContact O-NH2 3.03Å; L899-R943 VanDerWaalsContact O-NH2 3.14Å; L899-F961 HydrophobicContact CD1-CD1 4.43Å; L899-F961 HydrophobicContact CD1-CE1 4.33Å; L899-F961 HydrophobicContact CD2-CE1 3.65Å; L899-F961 HydrophobicContact CD2-CE2 4.37Å; L899-F961 HydrophobicContact CD2-CZ 3.58Å
900D87.7Confident91Very high50 Ų5030.3 Ų30.327%0.26715%0.151SC..SBendtrans-141-162.1-179.869.759.4000112.4Q898 R902 S903Q898-D900 WeakPolarHBondContact CG-O 3.37Å; Q898-D900 PolarHBondContact NE2-O 2.91Å; D900-R902 VanDerWaalsContact C-N 3.27Å; D900-R902 PolarHBondContact O-N 2.86Å; D900-R902 WeakPolarHBondContact OD1-CA 3.5Å; D900-R902 PolarHBondContact OD1-N 2.98Å; D900-S903 PolarHBondContact N-O 3.08Å; D900-S903 PolarHBondContact OD1-N 2.85Å; D900-S903 WeakPolarHBondContact OD2-CB 3.46Å; D900-S903 PolarHBondContact OD2-OG 2.97Å
901T88.7Confident91.6Very high55 Ų5529.8 Ų29.834%0.33715%0.149SC..SBendtrans-74.6-8.6-17956.40000115.6F795 P845F795-T901 HydrophobicContact CE1-CG2 4.04Å; F795-T901 HydrophobicContact CE2-CG2 4.17Å; F795-T901 HydrophobicContact CZ-CG2 3.39Å; P845-T901 HydrophobicContact CG-CG2 3.6Å
902R88.8Confident91.8Very high154 Ų15427.7 Ų27.758%0.58114%0.137SC*.SBendtrans-135.5-20.7-171.9-63178.2-177.7152.92.3113.2M446 D900 N916 M917M446-R902 PolarHBondContact SD-NH1 2.73Å; D900-R902 VanDerWaalsContact C-N 3.27Å; D900-R902 PolarHBondContact O-N 2.86Å; D900-R902 WeakPolarHBondContact OD1-CA 3.5Å; D900-R902 PolarHBondContact OD1-N 2.98Å; R902-N916 CarbonylContact O-C 3.58Å; R902-N916 VanDerWaalsContact O-CA 3.26Å; R902-N916 WeakPolarHBondContact O-CA 3.49Å; R902-M917 WeakPolarHBondContact O-CG 3.35Å; R902-M917 PolarHBondContact O-N 3.01Å; R902-M917 VanDerWaalsContact O-N 3.09Å
903S92.1Very high92.1Very high5 Ų524.5 Ų24.54%0.03512%0.123CC..EExtended strand (participates in β ladder)trans-118144.2-17879.30000114.9L899 D900 V915L899-S903 WeakPolarHBondContact CB-OG 3.45Å; L899-S903 PolarHBondContact N-O 2.78Å; D900-S903 PolarHBondContact N-O 3.08Å; D900-S903 PolarHBondContact OD1-N 2.85Å; D900-S903 WeakPolarHBondContact OD2-CB 3.46Å; D900-S903 PolarHBondContact OD2-OG 2.97Å; S903-V915 CarbonylContact C-O 3.47Å; S903-V915 VanDerWaalsContact CA-O 3.28Å; S903-V915 WeakPolarHBondContact CA-O 3.48Å
904L94.6Very high92.2Very high0 Ų025.1 Ų25.10%013%0.126CC..EExtended strand (participates in β ladder)trans-125.2149174.8-46.8173.6000108.8I842 L867 V896 V897 Q898 M914 V915 M917I842-L904 HydrophobicContact CD1-CD1 3.86Å; I842-L904 HydrophobicContact CD1-CD2 4.08Å; I842-L904 HydrophobicContact CG1-CD2 4.26Å; I842-L904 HydrophobicContact CG2-CD2 4.16Å; L867-L904 HydrophobicContact CD1-CD1 3.72Å; V896-L904 HydrophobicContact CG1-CB 4.26Å; V896-L904 HydrophobicContact CG1-CD1 4.14Å; V897-L904 CarbonylContact O-C 3.53Å; V897-L904 WeakPolarHBondContact O-CA 3.36Å; Q898-L904 HydrophobicContact CB-CD2 3.81Å; Q898-L904 HydrophobicContact CG-CD2 3.94Å; L904-M914 CarbonylContact O-C 3.57Å; L904-M914 WeakPolarHBondContact O-CA 3.2Å; L904-V915 HydrophobicContact CB-CG2 3.87Å; L904-V915 HydrophobicContact CD1-CG2 4.46Å; L904-V915 PolarHBondContact N-O 3.15Å; L904-V915 PolarHBondContact O-N 3.46Å; L904-M917 HydrophobicContact CD2-CE 4.16Å; L904-M917 HydrophobicContact CD2-SD 3.91Å; L904-M917 HydrophobicContact CG-SD 4.06Å
905L94.5Very high92.5Very high0 Ų024.4 Ų24.40%012%0.122CC..EExtended strand (participates in β ladder)trans-102.1121.2167-170.172.6000108.6V896 V897 L899 A912 M914 F932 V948 F961V896-L905 WeakPolarHBondContact CA-O 3.12Å; V897-L905 HydrophobicContact CB-CB 4.37Å; V897-L905 PolarHBondContact N-O 2.9Å; V897-L905 PolarHBondContact O-N 2.97Å; L899-L905 HydrophobicContact CD1-CB 4.09Å; L899-L905 HydrophobicContact CD2-CB 4.02Å; L899-L905 HydrophobicContact CG-CB 4.04Å; L905-A912 HydrophobicContact CD1-CB 3.88Å; L905-A912 HydrophobicContact CD2-CB 4.21Å; L905-A912 HydrophobicContact CG-CB 4.03Å; L905-M914 HydrophobicContact CD1-CB 4.48Å; L905-M914 HydrophobicContact CD1-CG 3.53Å; L905-F932 HydrophobicContact CD1-CE1 3.95Å; L905-F932 HydrophobicContact CD1-CZ 4.15Å; L905-F932 HydrophobicContact CD2-CZ 4.32Å; L905-V948 HydrophobicContact CD2-CG1 3.79Å; L905-F961 HydrophobicContact CD2-CE1 4.49Å
906I95Very high92.6Very high0 Ų025.5 Ų25.50%013%0.129CC..EExtended strand (participates in β ladder)trans-95121.7169.9-51.2178.5000107.6V856 Y865 L867 V893 F908 A912 T913 V915V856-I906 HydrophobicContact CG1-CD1 4.15Å; V856-I906 HydrophobicContact CG2-CD1 4.48Å; V856-I906 HydrophobicContact CG2-CG2 4.16Å; Y865-I906 HydrophobicContact CD2-CD1 3.88Å; Y865-I906 HydrophobicContact CG-CD1 3.95Å; L867-I906 HydrophobicContact CD2-CD1 3.86Å; V893-I906 HydrophobicContact CB-CG2 4.42Å; V893-I906 HydrophobicContact CG1-CG2 3.83Å; V893-I906 HydrophobicContact CG2-CG2 3.61Å; I906-F908 HydrophobicContact CB-CE2 4.06Å; I906-F908 HydrophobicContact CB-CZ 4.34Å; I906-F908 HydrophobicContact CG2-CD2 4.33Å; I906-F908 HydrophobicContact CG2-CE1 4.17Å; I906-F908 HydrophobicContact CG2-CE2 3.58Å; I906-F908 HydrophobicContact CG2-CZ 3.48Å; I906-F908 VanDerWaalsContact CG2-CZ 3.48Å; I906-A912 CarbonylContact O-C 3.51Å; I906-A912 WeakPolarHBondContact O-CA 3.46Å; I906-T913 PolarHBondContact N-O 3.35Å; I906-T913 PolarHBondContact O-N 2.81Å; I906-V915 HydrophobicContact CD1-CB 4.45Å; I906-V915 HydrophobicContact CD1-CG1 3.69Å; I906-V915 HydrophobicContact CD1-CG2 3.88Å; I906-V915 HydrophobicContact CG1-CG1 4.2Å; I906-V915 HydrophobicContact CG1-CG2 3.9Å
907C94Very high92.5Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-107.4119.5-175.5-57.50000110.7V893 I894 K895 I941V893-C907 CarbonylContact C-O 3.58Å; V893-C907 WeakPolarHBondContact CA-O 3.33Å; V893-C907 WeakPolarHBondContact CG1-O 3.33Å; I894-C907 HydrophobicContact CB-CB 4.28Å; I894-C907 PolarHBondContact N-O 2.88Å; K895-C907 PolarHBondContact O-N 3.02Å; C907-I941 HydrophobicContact CB-CD1 3.73Å
908F93.9Very high92.5Very high14 Ų1432.3 Ų32.36%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-107.8160.9174.9-54.7-90.4000109.9Y865 L891 V893 I906 T910 H911 F934Y865-F908 HydrophobicContact CD1-CZ 4.16Å; Y865-F908 HydrophobicContact CE1-CE1 4.31Å; Y865-F908 HydrophobicContact CE1-CE2 4.22Å; Y865-F908 AromaticContact CE1-CZ 3.49Å; Y865-F908 HydrophobicContact CE1-CZ 3.49Å; Y865-F908 VanDerWaalsContact CE1-CZ 3.49Å; Y865-F908 AromaticContact CZ-CE2 3.98Å; Y865-F908 AromaticContact CZ-CZ 3.73Å; L891-F908 HydrophobicContact CB-CE1 4.02Å; L891-F908 HydrophobicContact CD1-CE1 3.8Å; L891-F908 HydrophobicContact CD1-CZ 4.25Å; V893-F908 HydrophobicContact CG2-CD1 3.71Å; V893-F908 HydrophobicContact CG2-CE1 3.36Å; V893-F908 HydrophobicContact CG2-CZ 4Å; I906-F908 HydrophobicContact CB-CE2 4.06Å; I906-F908 HydrophobicContact CB-CZ 4.34Å; I906-F908 HydrophobicContact CG2-CD2 4.33Å; I906-F908 HydrophobicContact CG2-CE1 4.17Å; I906-F908 HydrophobicContact CG2-CE2 3.58Å; I906-F908 HydrophobicContact CG2-CZ 3.48Å; I906-F908 VanDerWaalsContact CG2-CZ 3.48Å; F908-T910 PolarHBondContact O-N 3.34Å; F908-H911 CarbonylContact C-O 3.55Å; F908-H911 WeakPolarHBondContact CA-O 3.31Å; F908-H911 WeakPolarHBondContact CB-O 3.3Å; F908-H911 AromaticContact CD2-CD2 3.58Å; F908-H911 AromaticContact CD2-CE1 3.72Å; F908-H911 AromaticContact CD2-NE2 3.32Å; F908-H911 VanDerWaalsContact CD2-NE2 3.32Å; F908-H911 WeakPolarHBondContact CD2-NE2 3.48Å; F908-H911 AromaticContact CE2-NE2 3.73Å; F908-H911 AromaticContact CG-CE1 3.8Å; F908-H911 AromaticContact CG-NE2 3.89Å; F908-H911 PolarHBondContact N-O 3.33Å; F908-H911 PolarHBondContact O-N 2.97Å; F908-F934 WeakPolarHBondContact O-CD2 3.47Å; F908-F934 VanDerWaalsContact O-CE2 3.28Å; F908-F934 WeakPolarHBondContact O-CE2 3.43Å
909P93.1Very high92.6Very high18 Ų1830.9 Ų30.912%0.11716%0.157CC..THydrogen-bonded Turntrans-54.3-21.8177.7-28.734.7000115.9Q892 I894 T937 V938Q892-P909 HydrophobicContact CG-CG 3.99Å; Q892-P909 WeakPolarHBondContact O-CD 3.22Å; I894-P909 HydrophobicContact CG1-CG 4.43Å; P909-T937 HydrophobicContact CB-CG2 3.9Å; P909-T937 WeakPolarHBondContact O-CA 3.29Å; P909-V938 PolarHBondContact O-N 3.2Å
910T92.9Very high92.8Very high80 Ų8037.4 Ų37.449%0.49118%0.181SC..THydrogen-bonded Turntrans-119.5-3.7-174.960.10000115F908 F934F908-T910 PolarHBondContact O-N 3.34Å; T910-F934 PolarHBondContact O-N 2.82Å
911H92.6Very high93.1Very high26 Ų2635.8 Ų35.812%0.1217%0.172CC..EExtended strand (participates in β ladder)trans-172.2160.8-179.359.5-76.2000111.2F908 T913 K931 F932 F934F908-H911 CarbonylContact C-O 3.55Å; F908-H911 WeakPolarHBondContact CA-O 3.31Å; F908-H911 WeakPolarHBondContact CB-O 3.3Å; F908-H911 AromaticContact CD2-CD2 3.58Å; F908-H911 AromaticContact CD2-CE1 3.72Å; F908-H911 AromaticContact CD2-NE2 3.32Å; F908-H911 VanDerWaalsContact CD2-NE2 3.32Å; F908-H911 WeakPolarHBondContact CD2-NE2 3.48Å; F908-H911 AromaticContact CE2-NE2 3.73Å; F908-H911 AromaticContact CG-CE1 3.8Å; F908-H911 AromaticContact CG-NE2 3.89Å; F908-H911 PolarHBondContact N-O 3.33Å; F908-H911 PolarHBondContact O-N 2.97Å; H911-T913 PolarHBondContact CD2-OG1 2.86Å; H911-K931 WeakPolarHBondContact CD2-CE 3.49Å; H911-K931 PolarHBondContact CD2-NZ 3.03Å; H911-K931 PolarHBondContact CE1-NZ 2.97Å; H911-K931 PolarHBondContact NE2-NZ 3.46Å; H911-F932 CarbonylContact C-O 3.55Å; H911-F932 VanDerWaalsContact CA-O 3.27Å; H911-F932 WeakPolarHBondContact CA-O 3.46Å; H911-F932 VanDerWaalsContact CB-O 3.26Å; H911-F932 WeakPolarHBondContact CB-O 3.47Å; H911-F934 VanDerWaalsContact C-CE2 3.43Å
912A92.5Very high93.3Very high0 Ų035.3 Ų35.30%017%0.168CC..EExtended strand (participates in β ladder)trans-115.9155161.600000111.3L905 I906 K931 F932 F934L905-A912 HydrophobicContact CD1-CB 3.88Å; L905-A912 HydrophobicContact CD2-CB 4.21Å; L905-A912 HydrophobicContact CG-CB 4.03Å; I906-A912 CarbonylContact O-C 3.51Å; I906-A912 WeakPolarHBondContact O-CA 3.46Å; A912-K931 VanDerWaalsContact O-CA 3.3Å; A912-K931 WeakPolarHBondContact O-CA 3.22Å; A912-F932 HydrophobicContact CB-CD2 4.37Å; A912-F932 HydrophobicContact CB-CE1 4.16Å; A912-F932 HydrophobicContact CB-CE2 3.82Å; A912-F932 HydrophobicContact CB-CZ 3.7Å; A912-F932 PolarHBondContact N-O 3.13Å; A912-F932 PolarHBondContact O-N 3.48Å; A912-F934 HydrophobicContact CB-CE2 4.37Å; A912-F934 HydrophobicContact CB-CZ 3.8Å
913T93.9Very high93.2Very high2 Ų231.5 Ų31.51%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-139.6126.6-178.6-56.90000110.4Y865 I906 H911 V915 V921 A930 K931Y865-T913 HydrophobicContact CE2-CG2 4.15Å; I906-T913 PolarHBondContact N-O 3.35Å; I906-T913 PolarHBondContact O-N 2.81Å; H911-T913 PolarHBondContact CD2-OG1 2.86Å; T913-V915 HydrophobicContact CG2-CG1 4.49Å; T913-V921 HydrophobicContact CG2-CB 4.2Å; T913-V921 HydrophobicContact CG2-CG1 3.47Å; T913-V921 VanDerWaalsContact CG2-CG1 3.47Å; T913-V921 HydrophobicContact CG2-CG2 3.7Å; T913-A930 CarbonylContact C-O 3.56Å; T913-A930 WeakPolarHBondContact CA-O 3.38Å; T913-K931 HydrophobicContact CG2-CB 4.2Å
914M94Very high92.3Very high13 Ų1332.3 Ų32.36%0.06417%0.167CC..EExtended strand (participates in β ladder)trans-81.6129.1174.3-59.2167.167.100109.9L899 L904 L905 L922 A930 F961L899-M914 HydrophobicContact CD1-CE 3.76Å; L899-M914 HydrophobicContact CD1-CG 4.07Å; L899-M914 HydrophobicContact CD1-SD 4.45Å; L904-M914 CarbonylContact O-C 3.57Å; L904-M914 WeakPolarHBondContact O-CA 3.2Å; L905-M914 HydrophobicContact CD1-CB 4.48Å; L905-M914 HydrophobicContact CD1-CG 3.53Å; M914-L922 HydrophobicContact CB-CB 4.46Å; M914-L922 HydrophobicContact CB-CD1 4.08Å; M914-L922 HydrophobicContact CB-CG 4.41Å; M914-L922 HydrophobicContact CE-CD1 4.37Å; M914-L922 PolarHBondContact O-N 2.92Å; M914-A930 HydrophobicContact CB-CB 3.86Å; M914-A930 HydrophobicContact CG-CB 4.33Å; M914-A930 PolarHBondContact N-O 3.13Å; M914-A930 HydrophobicContact SD-CB 4.09Å; M914-F961 HydrophobicContact SD-CB 4.44Å
915V95Very high91.4Very high0 Ų044.9 Ų44.90%021%0.214CC..EExtended strand (participates in β ladder)trans-123.7162.2176.9-60.10000110.6Y865 S903 L904 I906 T913 R920 V921Y865-V915 HydrophobicContact CD2-CG1 3.93Å; Y865-V915 HydrophobicContact CE2-CG1 4.45Å; S903-V915 CarbonylContact C-O 3.47Å; S903-V915 VanDerWaalsContact CA-O 3.28Å; S903-V915 WeakPolarHBondContact CA-O 3.48Å; L904-V915 HydrophobicContact CB-CG2 3.87Å; L904-V915 HydrophobicContact CD1-CG2 4.46Å; L904-V915 PolarHBondContact N-O 3.15Å; L904-V915 PolarHBondContact O-N 3.46Å; I906-V915 HydrophobicContact CD1-CB 4.45Å; I906-V915 HydrophobicContact CD1-CG1 3.69Å; I906-V915 HydrophobicContact CD1-CG2 3.88Å; I906-V915 HydrophobicContact CG1-CG1 4.2Å; I906-V915 HydrophobicContact CG1-CG2 3.9Å; T913-V915 HydrophobicContact CG2-CG1 4.49Å; V915-R920 CarbonylContact C-O 3.6Å; V915-R920 WeakPolarHBondContact CA-O 3.45Å; V915-R920 WeakPolarHBondContact CB-O 3.28Å; V915-V921 HydrophobicContact CG1-CG2 4.15Å
916N93.9Very high90.4Very high47 Ų4749.7 Ų49.725%0.25124%0.24SC..EExtended strand (participates in β ladder)trans-79.4172.2161.669.923.2000111.6R902 N918 G919 R920 L922R902-N916 CarbonylContact O-C 3.58Å; R902-N916 VanDerWaalsContact O-CA 3.26Å; R902-N916 WeakPolarHBondContact O-CA 3.49Å; N916-N918 PolarHBondContact O-N 2.93Å; N916-N918 WeakPolarHBondContact OD1-CA 3.38Å; N916-N918 WeakPolarHBondContact OD1-CB 3.32Å; N916-N918 PolarHBondContact OD1-N 2.84Å; N916-G919 PolarHBondContact O-N 2.93Å; N916-G919 PolarHBondContact OD1-N 3.11Å; N916-R920 PolarHBondContact N-O 2.95Å; N916-R920 PolarHBondContact OD1-N 3Å; N916-R920 VanDerWaalsContact OD1-N 3.16Å; N916-L922 HydrophobicContact CB-CD2 3.98Å
917M91.2Very high89.4Confident36 Ų3652.1 Ų52.118%0.17727%0.265CS..THydrogen-bonded Turntrans-54.4-18.5178.5-49.6-54.4-76.300115.1I842 N844 R902 L904I842-M917 HydrophobicContact CG2-CE 3.44Å; I842-M917 VanDerWaalsContact CG2-CE 3.44Å; N844-M917 WeakPolarHBondContact OD1-CE 3.39Å; R902-M917 WeakPolarHBondContact O-CG 3.35Å; R902-M917 PolarHBondContact O-N 3.01Å; R902-M917 VanDerWaalsContact O-N 3.09Å; L904-M917 HydrophobicContact CD2-CE 4.16Å; L904-M917 HydrophobicContact CD2-SD 3.91Å; L904-M917 HydrophobicContact CG-SD 4.06Å
918N92.4Very high88.6Confident129 Ų12960.6 Ų60.669%0.6930%0.297SS*.THydrogen-bonded Turntrans-98.113178.4-59.6-16.1000112.5N916 R920N916-N918 PolarHBondContact O-N 2.93Å; N916-N918 WeakPolarHBondContact OD1-CA 3.38Å; N916-N918 WeakPolarHBondContact OD1-CB 3.32Å; N916-N918 PolarHBondContact OD1-N 2.84Å; N918-R920 VanDerWaalsContact C-N 3.25Å; N918-R920 PolarHBondContact O-N 2.81Å
919G93.5Very high87.9Confident0 Ų064 Ų640%032%0.315CS..SBendtrans74.43.9178.600000115.5Y865 N916Y865-G919 PolarHBondContact N-O 3.15Å; Y865-G919 WeakPolarHBondContact O-CA 3.45Å; N916-G919 PolarHBondContact O-N 2.93Å; N916-G919 PolarHBondContact OD1-N 3.11Å
920R95.1Very high87.4Confident157 Ų15764.1 Ų64.159%0.59232%0.317SS*.BIsolated β-bridgetrans-76.7130.3173.8-55.6-160.1167158.3-4.6110.2L863 V864 V915 N916 N918L863-R920 CarbonylContact O-C 3.41Å; L863-R920 WeakPolarHBondContact O-CA 3.22Å; V864-R920 HydrophobicContact CG1-CG 4.26Å; V864-R920 HydrophobicContact CG2-CB 4.45Å; V864-R920 HydrophobicContact CG2-CG 3.9Å; V915-R920 CarbonylContact C-O 3.6Å; V915-R920 WeakPolarHBondContact CA-O 3.45Å; V915-R920 WeakPolarHBondContact CB-O 3.28Å; N916-R920 PolarHBondContact N-O 2.95Å; N916-R920 PolarHBondContact OD1-N 3Å; N916-R920 VanDerWaalsContact OD1-N 3.16Å; N918-R920 VanDerWaalsContact C-N 3.25Å; N918-R920 PolarHBondContact O-N 2.81Å
921V93.8Very high87.2Confident15 Ų1565.2 Ų65.29%0.09132%0.315CS..BIsolated β-bridgetrans-62.1136.1178.6-176.90000110.4L863 Y865 T913 V915 I929L863-V921 WeakPolarHBondContact O-CG2 3.25Å; L863-V921 PolarHBondContact O-N 3.03Å; Y865-V921 HydrophobicContact CD2-CG2 3.96Å; Y865-V921 HydrophobicContact CE2-CG2 3.65Å; T913-V921 HydrophobicContact CG2-CB 4.2Å; T913-V921 HydrophobicContact CG2-CG1 3.47Å; T913-V921 VanDerWaalsContact CG2-CG1 3.47Å; T913-V921 HydrophobicContact CG2-CG2 3.7Å; V915-V921 HydrophobicContact CG1-CG2 4.15Å; V921-I929 HydrophobicContact CG1-CG2 3.47Å; V921-I929 VanDerWaalsContact CG1-CG2 3.47Å
922L92.5Very high86.9Confident46 Ų4664.6 Ų64.624%0.24131%0.312CS..PPolyproline II helixtrans-74.4139.8175.4-60.6-175.7000109.8M914 N916 A930M914-L922 HydrophobicContact CB-CB 4.46Å; M914-L922 HydrophobicContact CB-CD1 4.08Å; M914-L922 HydrophobicContact CB-CG 4.41Å; M914-L922 HydrophobicContact CE-CD1 4.37Å; M914-L922 PolarHBondContact O-N 2.92Å; N916-L922 HydrophobicContact CB-CD2 3.98Å; L922-A930 HydrophobicContact CB-CB 3.97Å; L922-A930 VanDerWaalsContact O-CB 3.25Å; L922-A930 WeakPolarHBondContact O-CB 3.33Å; L922-A930 PolarHBondContact O-N 2.91Å
923V85.9Confident86.8Confident73 Ų7368.8 Ų68.844%0.44234%0.34SS..BIsolated β-bridgetrans-127134.6178.2-175.50000108.1R928V923-R928 CarbonylContact C-O 3.58Å; V923-R928 WeakPolarHBondContact CA-O 3.26Å
924S74.6Confident86.5Confident22 Ų2269.6 Ų69.615%0.15434%0.343CS..  trans-70.4169.8178.770.30000112.1D926 G927 R928S924-D926 VanDerWaalsContact CB-OD1 3.3Å; S924-D926 WeakPolarHBondContact CB-OD1 3.27Å; S924-D926 PolarHBondContact O-N 2.76Å; S924-D926 PolarHBondContact OG-N 3.45Å; S924-D926 PolarHBondContact OG-OD1 2.91Å; S924-G927 PolarHBondContact O-N 2.86Å; S924-G927 PolarHBondContact OG-N 3.37Å; S924-R928 PolarHBondContact N-O 2.68Å; S924-R928 WeakPolarHBondContact OG-CB 3.3Å; S924-R928 PolarHBondContact OG-N 2.53Å; S924-R928 PolarHBondContact OG-O 3.5Å
925R74.5Confident86Confident264 Ų26475.1 Ų75.1100%0.99637%0.373SS*.THydrogen-bonded Turntrans-62.9-26.9175.4-70.3-175.7177.9176.5-0.1113.5G927R925-G927 VanDerWaalsContact C-N 3.34Å
926D75.1Confident85.6Confident102 Ų10277.4 Ų77.455%0.54539%0.387SS..THydrogen-bonded Turntrans-93.615.1174.868.4-41.2000113.3S924 R928S924-D926 VanDerWaalsContact CB-OD1 3.3Å; S924-D926 WeakPolarHBondContact CB-OD1 3.27Å; S924-D926 PolarHBondContact O-N 2.76Å; S924-D926 PolarHBondContact OG-N 3.45Å; S924-D926 PolarHBondContact OG-OD1 2.91Å; D926-R928 VanDerWaalsContact C-N 3.35Å; D926-R928 PolarHBondContact O-N 3.38Å; D926-R928 IonicContact OD1-NE 3.56Å; D926-R928 IonicContact OD2-CZ 3.14Å; D926-R928 IonicContact OD2-NE 2.78Å; D926-R928 PolarHBondContact OD2-NE 3.06Å; D926-R928 IonicContact OD2-NH2 3.51Å; D926-R928 PolarHBondContact OD2-NH2 3.43Å
927G72.6Confident85.5Confident51 Ų5179.2 Ų79.253%0.52640%0.4SS..  trans81.45.2171.300000115.5S924 R925 I929S924-G927 PolarHBondContact O-N 2.86Å; S924-G927 PolarHBondContact OG-N 3.37Å; R925-G927 VanDerWaalsContact C-N 3.34Å; G927-I929 PolarHBondContact O-N 2.88Å
928R77.6Confident85.5Confident178 Ų17877.8 Ų77.867%0.67239%0.393SS*.  trans-72.2127.8175.2-55.7-173.9-159.1-156.61.7110V923 S924 D926V923-R928 CarbonylContact C-O 3.58Å; V923-R928 WeakPolarHBondContact CA-O 3.26Å; S924-R928 PolarHBondContact N-O 2.68Å; S924-R928 WeakPolarHBondContact OG-CB 3.3Å; S924-R928 PolarHBondContact OG-N 2.53Å; S924-R928 PolarHBondContact OG-O 3.5Å; D926-R928 VanDerWaalsContact C-N 3.35Å; D926-R928 PolarHBondContact O-N 3.38Å; D926-R928 IonicContact OD1-NE 3.56Å; D926-R928 IonicContact OD2-CZ 3.14Å; D926-R928 IonicContact OD2-NE 2.78Å; D926-R928 PolarHBondContact OD2-NE 3.06Å; D926-R928 IonicContact OD2-NH2 3.51Å; D926-R928 PolarHBondContact OD2-NH2 3.43Å
929I78.3Confident85.4Confident86 Ų8673.4 Ų73.444%0.44137%0.369SS..BIsolated β-bridgetrans-67131169.7-59.7176.2000107.6L863 V921 G927 K931L863-I929 HydrophobicContact CD2-CD1 3.85Å; L863-I929 HydrophobicContact CD2-CG1 4.33Å; V921-I929 HydrophobicContact CG1-CG2 3.47Å; V921-I929 VanDerWaalsContact CG1-CG2 3.47Å; G927-I929 PolarHBondContact O-N 2.88Å; I929-K931 HydrophobicContact CG2-CB 3.93Å; I929-K931 PolarHBondContact O-N 3.39Å
930A84.3Confident85.2Confident19 Ų1973.7 Ų73.716%0.15737%0.372CS..SBendtrans-76.363.3178.700000111.4T913 M914 L922T913-A930 CarbonylContact C-O 3.56Å; T913-A930 WeakPolarHBondContact CA-O 3.38Å; M914-A930 HydrophobicContact CB-CB 3.86Å; M914-A930 HydrophobicContact CG-CB 4.33Å; M914-A930 PolarHBondContact N-O 3.13Å; M914-A930 HydrophobicContact SD-CB 4.09Å; L922-A930 HydrophobicContact CB-CB 3.97Å; L922-A930 VanDerWaalsContact O-CB 3.25Å; L922-A930 WeakPolarHBondContact O-CB 3.33Å; L922-A930 PolarHBondContact O-N 2.91Å
931K87.9Confident85.1Confident103 Ų10366.3 Ų66.345%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-131.8127-179.4167.2169168.7153.50108.9H911 A912 T913 I929H911-K931 WeakPolarHBondContact CD2-CE 3.49Å; H911-K931 PolarHBondContact CD2-NZ 3.03Å; H911-K931 PolarHBondContact CE1-NZ 2.97Å; H911-K931 PolarHBondContact NE2-NZ 3.46Å; A912-K931 VanDerWaalsContact O-CA 3.3Å; A912-K931 WeakPolarHBondContact O-CA 3.22Å; T913-K931 HydrophobicContact CG2-CB 4.2Å; I929-K931 HydrophobicContact CG2-CB 3.93Å; I929-K931 PolarHBondContact O-N 3.39Å
932F87.3Confident84.9Confident13 Ų1366 Ų666%0.05734%0.342CS..EExtended strand (participates in β ladder)trans-119.5133.5175.351.1-86.9000110.2L905 H911 A912 F934 V948 I959L905-F932 HydrophobicContact CD1-CE1 3.95Å; L905-F932 HydrophobicContact CD1-CZ 4.15Å; L905-F932 HydrophobicContact CD2-CZ 4.32Å; H911-F932 CarbonylContact C-O 3.55Å; H911-F932 VanDerWaalsContact CA-O 3.27Å; H911-F932 WeakPolarHBondContact CA-O 3.46Å; H911-F932 VanDerWaalsContact CB-O 3.26Å; H911-F932 WeakPolarHBondContact CB-O 3.47Å; A912-F932 HydrophobicContact CB-CD2 4.37Å; A912-F932 HydrophobicContact CB-CE1 4.16Å; A912-F932 HydrophobicContact CB-CE2 3.82Å; A912-F932 HydrophobicContact CB-CZ 3.7Å; A912-F932 PolarHBondContact N-O 3.13Å; A912-F932 PolarHBondContact O-N 3.48Å; F932-F934 AromaticContact CD2-CE1 3.99Å; F932-F934 HydrophobicContact CD2-CE1 3.99Å; F932-F934 AromaticContact CE2-CE1 3.78Å; F932-F934 HydrophobicContact CE2-CE1 3.78Å; F932-F934 HydrophobicContact CE2-CZ 4.28Å; F932-V948 HydrophobicContact CE2-CG2 4.13Å; F932-V948 HydrophobicContact CZ-CG2 4.09Å; F932-I959 HydrophobicContact CD2-CG2 3.94Å; F932-I959 HydrophobicContact CE2-CB 4.4Å; F932-I959 HydrophobicContact CE2-CG2 4.01Å
933P89Confident84.7Confident89 Ų8967.9 Ų67.958%0.57835%0.346SS*.EExtended strand (participates in β ladder)trans-71.9164.3176.932.8-35.5000111.4
934F88.5Confident84.6Confident18 Ų1865 Ų658%0.07933%0.328CS..  trans-112.6130.1160-55.4-48000108F908 T910 H911 A912 F932 T936 V938 I941 A950 I959F908-F934 WeakPolarHBondContact O-CD2 3.47Å; F908-F934 VanDerWaalsContact O-CE2 3.28Å; F908-F934 WeakPolarHBondContact O-CE2 3.43Å; T910-F934 PolarHBondContact O-N 2.82Å; H911-F934 VanDerWaalsContact C-CE2 3.43Å; A912-F934 HydrophobicContact CB-CE2 4.37Å; A912-F934 HydrophobicContact CB-CZ 3.8Å; F932-F934 AromaticContact CD2-CE1 3.99Å; F932-F934 HydrophobicContact CD2-CE1 3.99Å; F932-F934 AromaticContact CE2-CE1 3.78Å; F932-F934 HydrophobicContact CE2-CE1 3.78Å; F932-F934 HydrophobicContact CE2-CZ 4.28Å; F934-T936 VanDerWaalsContact C-N 3.27Å; F934-T936 VanDerWaalsContact CB-O 3.29Å; F934-T936 WeakPolarHBondContact CB-O 3.34Å; F934-V938 HydrophobicContact CB-CG2 3.72Å; F934-V938 HydrophobicContact CD1-CG2 4.08Å; F934-V938 HydrophobicContact CD2-CB 3.86Å; F934-V938 HydrophobicContact CD2-CG2 3.35Å; F934-V938 HydrophobicContact CE2-CB 4.11Å; F934-V938 HydrophobicContact CE2-CG1 4.43Å; F934-V938 HydrophobicContact CE2-CG2 3.9Å; F934-V938 HydrophobicContact CG-CB 4.46Å; F934-V938 HydrophobicContact CG-CG2 3.46Å; F934-V938 VanDerWaalsContact CG-CG2 3.46Å; F934-V938 HydrophobicContact CZ-CG2 4.46Å; F934-I941 HydrophobicContact CE2-CD1 4.01Å; F934-I941 HydrophobicContact CZ-CD1 3.62Å; F934-A950 HydrophobicContact CD1-CB 4.45Å; F934-A950 HydrophobicContact CE1-CB 4.06Å; F934-A950 HydrophobicContact CZ-CB 4.38Å; F934-I959 HydrophobicContact CD1-CD1 3.8Å; F934-I959 HydrophobicContact CE1-CD1 3.93Å
935D83.1Confident84.7Confident130 Ų13069.4 Ų69.470%0.69535%0.346SS*.SBendtrans-71.8-27.3179.4-56.7-20.7000111.5R957D935-R957 IonicContact OD2-CZ 3.87Å; D935-R957 IonicContact OD2-NH1 2.69Å; D935-R957 PolarHBondContact OD2-NH1 3.42Å
936T85.8Confident84.9Confident47 Ų4760.8 Ų60.829%0.28832%0.32SS..SBendtrans-109.1163.1174.355.30000110.7F934F934-T936 VanDerWaalsContact C-N 3.27Å; F934-T936 VanDerWaalsContact CB-O 3.29Å; F934-T936 WeakPolarHBondContact CB-O 3.34Å
937T92.4Very high85.4Confident86 Ų8656.2 Ų56.253%0.52830%0.296SS..  trans-77124.2172.1-60.60000109.5P909 H952P909-T937 HydrophobicContact CB-CG2 3.9Å; P909-T937 WeakPolarHBondContact O-CA 3.29Å; T937-H952 VanDerWaalsContact O-CB 3.24Å; T937-H952 WeakPolarHBondContact O-CB 3.29Å
938V92.1Very high86.2Confident5 Ų553.8 Ų53.83%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-95.9128.3-176.9179.20000110.6I894 P909 F934 I941 A950 F951I894-V938 HydrophobicContact CD1-CB 3.95Å; I894-V938 HydrophobicContact CD1-CG1 3.78Å; I894-V938 WeakPolarHBondContact CD1-O 3.46Å; P909-V938 PolarHBondContact O-N 3.2Å; F934-V938 HydrophobicContact CB-CG2 3.72Å; F934-V938 HydrophobicContact CD1-CG2 4.08Å; F934-V938 HydrophobicContact CD2-CB 3.86Å; F934-V938 HydrophobicContact CD2-CG2 3.35Å; F934-V938 HydrophobicContact CE2-CB 4.11Å; F934-V938 HydrophobicContact CE2-CG1 4.43Å; F934-V938 HydrophobicContact CE2-CG2 3.9Å; F934-V938 HydrophobicContact CG-CB 4.46Å; F934-V938 HydrophobicContact CG-CG2 3.46Å; F934-V938 VanDerWaalsContact CG-CG2 3.46Å; F934-V938 HydrophobicContact CZ-CG2 4.46Å; V938-I941 HydrophobicContact CG1-CD1 4Å; V938-I941 HydrophobicContact CG1-CG1 3.7Å; V938-A950 HydrophobicContact CG1-CB 3.83Å; V938-A950 HydrophobicContact CG2-CB 3.93Å; V938-F951 CarbonylContact C-O 3.6Å; V938-F951 WeakPolarHBondContact CG1-O 3.24Å
939D88.9Confident86.9Confident37 Ų3745.3 Ų45.320%0.19824%0.239CC..EExtended strand (participates in β ladder)trans-97.3-28.7-175.9-66.6-57000112.7F951 T953D939-F951 PolarHBondContact N-O 3.14Å; D939-T953 PolarHBondContact OD2-N 2.87Å; D939-T953 VanDerWaalsContact OD2-N 3.14Å; D939-T953 PolarHBondContact OD2-OG1 2.83Å
940S90.6Very high87.6Confident7 Ų741.2 Ų41.25%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-158.7155.8177.558.10000112.9Q381 F951 L978Q381-S940 WeakPolarHBondContact O-CB 3.39Å; S940-F951 PolarHBondContact N-O 3.03Å; S940-F951 PolarHBondContact O-N 2.9Å; S940-F951 WeakPolarHBondContact OG-CB 3.28Å; S940-L978 WeakPolarHBondContact OG-CB 3.44Å
941I91.3Very high88Confident1 Ų140.5 Ų40.51%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-132.7131.3-178.6-59.8-160.7000112.8I894 K895 C907 F934 V938 V948 L949 A950I894-I941 HydrophobicContact CD1-CD1 4.43Å; I894-I941 HydrophobicContact CD1-CG1 4.38Å; K895-I941 WeakPolarHBondContact CD-O 3.41Å; K895-I941 PolarHBondContact NZ-O 3Å; C907-I941 HydrophobicContact CB-CD1 3.73Å; F934-I941 HydrophobicContact CE2-CD1 4.01Å; F934-I941 HydrophobicContact CZ-CD1 3.62Å; V938-I941 HydrophobicContact CG1-CD1 4Å; V938-I941 HydrophobicContact CG1-CG1 3.7Å; I941-V948 HydrophobicContact CG2-CB 3.85Å; I941-V948 HydrophobicContact CG2-CG1 3.95Å; I941-L949 WeakPolarHBondContact CA-O 3.38Å; I941-A950 HydrophobicContact CD1-CB 4.29Å; I941-A950 HydrophobicContact CG1-CB 4.44Å
942V90.1Very high88.3Confident9 Ų936 Ų366%0.05519%0.192CC..EExtended strand (participates in β ladder)trans-102.6140.3165.3-174.30000108.9V948 L949 F951 L978 I985V942-V948 CarbonylContact O-C 3.58Å; V942-V948 WeakPolarHBondContact O-CA 3.3Å; V942-L949 HydrophobicContact CB-CB 4.34Å; V942-L949 PolarHBondContact N-O 3.13Å; V942-L949 PolarHBondContact O-N 2.82Å; V942-F951 HydrophobicContact CB-CE2 4.5Å; V942-F951 HydrophobicContact CG2-CD2 4.41Å; V942-F951 HydrophobicContact CG2-CE2 3.82Å; V942-L978 HydrophobicContact CG2-CD1 4.08Å; V942-L978 HydrophobicContact CG2-CD2 3.68Å; V942-I985 HydrophobicContact CB-CD1 4.33Å; V942-I985 HydrophobicContact CG1-CD1 3.84Å; V942-I985 HydrophobicContact CG1-CG1 4.39Å; V942-I985 HydrophobicContact CG2-CD1 4.33Å
943R88.3Confident88.5Confident86 Ų8638 Ų3833%0.32521%0.205SC..EExtended strand (participates in β ladder)trans-105.6125.3176.4174.1-98.5171.6109.34.8109.5V897 Q898 L899 H945 V948V897-R943 HydrophobicContact CG1-CB 3.74Å; V897-R943 HydrophobicContact CG1-CG 3.76Å; Q898-R943 PolarHBondContact O-NH1 2.88Å; L899-R943 PolarHBondContact O-NH1 2.94Å; L899-R943 PolarHBondContact O-NH2 3.03Å; L899-R943 VanDerWaalsContact O-NH2 3.14Å; R943-H945 PolarHBondContact NH2-O 2.88Å; R943-V948 HydrophobicContact CB-CG1 4.4Å
944L84.4Confident88.7Confident13 Ų1336.7 Ų36.77%0.06819%0.191CC..  trans-96.4-176.8169.7-54.9-176.9000109.4D946 S947 L949 D1009L944-D946 PolarHBondContact O-N 3.14Å; L944-S947 PolarHBondContact N-O 2.97Å; L944-L949 HydrophobicContact CD1-CD1 4.14Å; L944-L949 HydrophobicContact CD1-CD2 3.96Å; L944-L949 HydrophobicContact CD1-CG 3.87Å; L944-L949 HydrophobicContact CD2-CD1 4.29Å; L944-L949 HydrophobicContact CG-CD1 4.42Å; L944-L949 HydrophobicContact CG-CG 4.16Å; L944-D1009 VanDerWaalsContact CA-OD1 3.25Å; L944-D1009 WeakPolarHBondContact CA-OD1 3.37Å; L944-D1009 WeakPolarHBondContact CB-OD1 3.22Å
945H76.6Confident88.8Confident113 Ų11335.9 Ų35.952%0.52319%0.187SC..SBendtrans-55.5-51.5-179.1-170.175.1000113.6R943 D1009R943-H945 PolarHBondContact NH2-O 2.88Å; H945-D1009 PolarHBondContact N-OD1 3.32Å
946D78.2Confident89.2Confident83 Ų8329.7 Ų29.744%0.44415%0.154SC..SBendtrans-118-0.5-168.565-8000114.5L944 F961L944-D946 PolarHBondContact O-N 3.14Å; D946-F961 VanDerWaalsContact C-CD2 3.43Å; D946-F961 WeakPolarHBondContact O-CD2 3.37Å; D946-F961 WeakPolarHBondContact O-CE2 3.29Å; D946-F961 PolarHBondContact O-N 2.83Å
947S86.4Confident89.4Confident6 Ų629.3 Ų29.34%0.04215%0.148CC..EExtended strand (participates in β ladder)trans-155.3171.6-165.651.10000112.1L944 I959L944-S947 PolarHBondContact N-O 2.97Å; S947-I959 CarbonylContact C-O 3.58Å; S947-I959 WeakPolarHBondContact CA-O 3.5Å; S947-I959 WeakPolarHBondContact CB-O 3.36Å
948V89.7Confident89.3Confident0 Ų025.2 Ų25.20%012%0.122CC..EExtended strand (participates in β ladder)trans-125.2142.6172.9-73.10000110.7L905 F932 I941 V942 R943 G958 I959 F961L905-V948 HydrophobicContact CD2-CG1 3.79Å; F932-V948 HydrophobicContact CE2-CG2 4.13Å; F932-V948 HydrophobicContact CZ-CG2 4.09Å; I941-V948 HydrophobicContact CG2-CB 3.85Å; I941-V948 HydrophobicContact CG2-CG1 3.95Å; V942-V948 CarbonylContact O-C 3.58Å; V942-V948 WeakPolarHBondContact O-CA 3.3Å; R943-V948 HydrophobicContact CB-CG1 4.4Å; V948-G958 CarbonylContact O-C 3.5Å; V948-G958 WeakPolarHBondContact O-CA 3.31Å; V948-I959 HydrophobicContact CG2-CB 4.41Å; V948-I959 PolarHBondContact N-O 2.89Å; V948-I959 PolarHBondContact O-N 2.84Å; V948-F961 HydrophobicContact CG1-CE1 4.09Å
949L91.5Very high89Confident0 Ų025.3 Ų25.30%012%0.123CC..EExtended strand (participates in β ladder)trans-97.3109.7165.9-55.7177.2000107.7I941 V942 L944 F951 L956 I985 L1004I941-L949 WeakPolarHBondContact CA-O 3.38Å; V942-L949 HydrophobicContact CB-CB 4.34Å; V942-L949 PolarHBondContact N-O 3.13Å; V942-L949 PolarHBondContact O-N 2.82Å; L944-L949 HydrophobicContact CD1-CD1 4.14Å; L944-L949 HydrophobicContact CD1-CD2 3.96Å; L944-L949 HydrophobicContact CD1-CG 3.87Å; L944-L949 HydrophobicContact CD2-CD1 4.29Å; L944-L949 HydrophobicContact CG-CD1 4.42Å; L944-L949 HydrophobicContact CG-CG 4.16Å; L949-F951 HydrophobicContact CB-CE2 3.92Å; L949-L956 HydrophobicContact CD2-CD1 4.11Å; L949-I985 HydrophobicContact CD1-CD1 3.56Å; L949-L1004 HydrophobicContact CD1-CD2 3.63Å
950A92.5Very high88.9Confident1 Ų124.1 Ų24.11%0.00812%0.116CC..EExtended strand (participates in β ladder)trans-94.9107.1178.300000109.6F934 V938 I941 L956 R957F934-A950 HydrophobicContact CD1-CB 4.45Å; F934-A950 HydrophobicContact CE1-CB 4.06Å; F934-A950 HydrophobicContact CZ-CB 4.38Å; V938-A950 HydrophobicContact CG1-CB 3.83Å; V938-A950 HydrophobicContact CG2-CB 3.93Å; I941-A950 HydrophobicContact CD1-CB 4.29Å; I941-A950 HydrophobicContact CG1-CB 4.44Å; A950-L956 CarbonylContact O-C 3.56Å; A950-L956 WeakPolarHBondContact O-CA 3.26Å; A950-R957 PolarHBondContact N-O 2.99Å; A950-R957 PolarHBondContact O-N 2.76Å
951F93.7Very high88.5Confident4 Ų425.9 Ų25.92%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-84.9126179.1-73.2-97.1000110.4F674 V938 D939 S940 V942 L949 G955 L956 L978 I985 V987F674-F951 HydrophobicContact CE1-CE1 4.25Å; F674-F951 HydrophobicContact CZ-CE1 4.31Å; V938-F951 CarbonylContact C-O 3.6Å; V938-F951 WeakPolarHBondContact CG1-O 3.24Å; D939-F951 PolarHBondContact N-O 3.14Å; S940-F951 PolarHBondContact N-O 3.03Å; S940-F951 PolarHBondContact O-N 2.9Å; S940-F951 WeakPolarHBondContact OG-CB 3.28Å; V942-F951 HydrophobicContact CB-CE2 4.5Å; V942-F951 HydrophobicContact CG2-CD2 4.41Å; V942-F951 HydrophobicContact CG2-CE2 3.82Å; L949-F951 HydrophobicContact CB-CE2 3.92Å; F951-G955 WeakPolarHBondContact CA-O 3.43Å; F951-L956 HydrophobicContact CD1-CB 3.75Å; F951-L956 HydrophobicContact CD1-CD2 4.27Å; F951-L956 HydrophobicContact CD2-CB 4.44Å; F951-L956 HydrophobicContact CE1-CB 3.82Å; F951-L956 HydrophobicContact CE1-CD2 3.47Å; F951-L956 VanDerWaalsContact CE1-CD2 3.47Å; F951-L956 HydrophobicContact CE1-CG 4.31Å; F951-L956 HydrophobicContact CE2-CB 4.49Å; F951-L956 HydrophobicContact CE2-CD2 4.35Å; F951-L956 HydrophobicContact CG-CB 4.07Å; F951-L956 HydrophobicContact CZ-CB 4.19Å; F951-L956 HydrophobicContact CZ-CD2 3.5Å; F951-L956 HydrophobicContact CZ-CG 4.49Å; F951-L978 HydrophobicContact CE2-CD1 4.25Å; F951-L978 HydrophobicContact CZ-CD1 4.27Å; F951-I985 HydrophobicContact CE2-CG2 4.38Å; F951-I985 HydrophobicContact CZ-CG2 3.76Å; F951-V987 HydrophobicContact CE1-CG2 3.74Å; F951-V987 HydrophobicContact CZ-CG2 4.28Å
952H93.1Very high87.9Confident8 Ų831.7 Ų31.74%0.03715%0.149CC..EExtended strand (participates in β ladder)trans-115.1168.5172.748.999.5000109.3T937 H954 G955 L956 D970T937-H952 VanDerWaalsContact O-CB 3.24Å; T937-H952 WeakPolarHBondContact O-CB 3.29Å; H952-H954 PolarHBondContact O-N 2.9Å; H952-G955 PolarHBondContact N-O 3.01Å; H952-G955 VanDerWaalsContact N-O 3.08Å; H952-G955 PolarHBondContact O-N 3.08Å; H952-L956 WeakPolarHBondContact NE2-CA 3.32Å; H952-L956 PolarHBondContact NE2-N 3.33Å; H952-D970 IonicContact CE1-OD1 2.75Å; H952-D970 PolarHBondContact CE1-OD1 3.45Å; H952-D970 IonicContact ND1-OD1 3.65Å
953T92.4Very high87.4Confident54 Ų5432.9 Ų32.933%0.33116%0.162SC..THydrogen-bonded Turntrans-49.7-37.1-174.6-53.50000113.7D939 V975 Y976D939-T953 PolarHBondContact OD2-N 2.87Å; D939-T953 VanDerWaalsContact OD2-N 3.14Å; D939-T953 PolarHBondContact OD2-OG1 2.83Å; T953-V975 HydrophobicContact CG2-CG1 3.96Å; T953-V975 HydrophobicContact CG2-CG2 4.17Å; T953-V975 CarbonylContact O-C 3.6Å; T953-V975 VanDerWaalsContact O-CA 3.26Å; T953-V975 WeakPolarHBondContact O-CA 3.16Å; T953-Y976 PolarHBondContact O-N 3.21Å
954H93.1Very high87.2Confident63 Ų6336 Ų3629%0.29217%0.174SC..THydrogen-bonded Turntrans-103.311.6-178.5-63.4-60.2000115.6H952 D970 D971 H974 Y976 S992H952-H954 PolarHBondContact O-N 2.9Å; H954-D970 VanDerWaalsContact CB-OD1 3.29Å; H954-D970 WeakPolarHBondContact CB-OD1 3.19Å; H954-D971 PolarHBondContact O-N 2.78Å; H954-H974 PolarHBondContact ND1-O 3.43Å; H954-Y976 VanDerWaalsContact C-CD2 3.44Å; H954-Y976 WeakPolarHBondContact O-CE2 3.48Å; H954-S992 PolarHBondContact CE1-OG 3.46Å
955G91Very high87.2Confident0 Ų039 Ų390%019%0.193CC..EExtended strand (participates in β ladder)trans156.2-132.4172.200000114.9F951 H952 I969F951-G955 WeakPolarHBondContact CA-O 3.43Å; H952-G955 PolarHBondContact N-O 3.01Å; H952-G955 VanDerWaalsContact N-O 3.08Å; H952-G955 PolarHBondContact O-N 3.08Å; G955-I969 CarbonylContact C-O 3.49Å; G955-I969 VanDerWaalsContact CA-O 3.32Å; G955-I969 WeakPolarHBondContact CA-O 3.49Å
956L91.9Very high87.5Confident0 Ų037.1 Ų37.10%019%0.19CC..EExtended strand (participates in β ladder)trans-150.2152.617776.585.8000112.7F674 L949 A950 F951 H952 I969 L1004F674-L956 HydrophobicContact CE1-CD2 3.91Å; F674-L956 HydrophobicContact CZ-CD2 3.79Å; F674-L956 HydrophobicContact CZ-CG 4.39Å; L949-L956 HydrophobicContact CD2-CD1 4.11Å; A950-L956 CarbonylContact O-C 3.56Å; A950-L956 WeakPolarHBondContact O-CA 3.26Å; F951-L956 HydrophobicContact CD1-CB 3.75Å; F951-L956 HydrophobicContact CD1-CD2 4.27Å; F951-L956 HydrophobicContact CD2-CB 4.44Å; F951-L956 HydrophobicContact CE1-CB 3.82Å; F951-L956 HydrophobicContact CE1-CD2 3.47Å; F951-L956 VanDerWaalsContact CE1-CD2 3.47Å; F951-L956 HydrophobicContact CE1-CG 4.31Å; F951-L956 HydrophobicContact CE2-CB 4.49Å; F951-L956 HydrophobicContact CE2-CD2 4.35Å; F951-L956 HydrophobicContact CG-CB 4.07Å; F951-L956 HydrophobicContact CZ-CB 4.19Å; F951-L956 HydrophobicContact CZ-CD2 3.5Å; F951-L956 HydrophobicContact CZ-CG 4.49Å; H952-L956 WeakPolarHBondContact NE2-CA 3.32Å; H952-L956 PolarHBondContact NE2-N 3.33Å; L956-I969 HydrophobicContact CD1-CD1 4.48Å; L956-I969 HydrophobicContact CD2-CD1 4.25Å; L956-I969 HydrophobicContact CG-CB 4.36Å; L956-I969 HydrophobicContact CG-CD1 4.16Å; L956-I969 HydrophobicContact CG-CG1 4.35Å; L956-I969 PolarHBondContact N-O 2.91Å; L956-I969 PolarHBondContact O-N 2.86Å; L956-L1004 HydrophobicContact CD2-CD1 3.81Å; L956-L1004 HydrophobicContact CD2-CD2 3.66Å; L956-L1004 HydrophobicContact CD2-CG 4.35Å
957R89.9Confident87.7Confident39 Ų3935 Ų3515%0.14718%0.177CC..EExtended strand (participates in β ladder)trans-124.4122.7169.6-170.7170.2-77.7-172.8-6.6111.2D935 A950 I959 V965 Q967 D968D935-R957 IonicContact OD2-CZ 3.87Å; D935-R957 IonicContact OD2-NH1 2.69Å; D935-R957 PolarHBondContact OD2-NH1 3.42Å; A950-R957 PolarHBondContact N-O 2.99Å; A950-R957 PolarHBondContact O-N 2.76Å; R957-I959 HydrophobicContact CB-CG1 4.5Å; R957-I959 HydrophobicContact CG-CD1 4.1Å; R957-I959 HydrophobicContact CG-CG1 3.8Å; R957-V965 HydrophobicContact CG-CG1 3.81Å; R957-V965 HydrophobicContact CG-CG2 4.25Å; R957-Q967 CarbonylContact C-O 3.52Å; R957-D968 WeakPolarHBondContact CB-OD1 3.32Å; R957-D968 VanDerWaalsContact CG-OD1 3.31Å; R957-D968 WeakPolarHBondContact CG-OD1 3.35Å; R957-D968 IonicContact CZ-OD1 2.61Å; R957-D968 IonicContact CZ-OD2 3.86Å; R957-D968 VanDerWaalsContact NE-CG 3.3Å; R957-D968 IonicContact NE-OD1 3.34Å; R957-D968 PolarHBondContact NE-OD1 3.43Å; R957-D968 IonicContact NE-OD2 3.94Å; R957-D968 PolarHBondContact NE-OD2 3.46Å; R957-D968 IonicContact NH2-OD1 3.32Å; R957-D968 IonicContact NH2-OD2 2.68Å; R957-D968 PolarHBondContact NH2-OD2 2.82Å
958G88.6Confident87.7Confident0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-80.5127.4167.900000110.4V948 V965 T966 Q967V948-G958 CarbonylContact O-C 3.5Å; V948-G958 WeakPolarHBondContact O-CA 3.31Å; G958-V965 CarbonylContact O-C 3.27Å; G958-V965 WeakPolarHBondContact O-CA 3.39Å; G958-T966 VanDerWaalsContact C-OG1 3.26Å; G958-T966 PolarHBondContact O-N 2.71Å; G958-T966 PolarHBondContact O-OG1 2.64Å; G958-Q967 PolarHBondContact N-O 3.03Å; G958-Q967 PolarHBondContact O-N 3.47Å
959I87.7Confident87.6Confident8 Ų840 Ų404%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-135.3127.9-178.1-50.7-179.7000108.9F932 F934 S947 V948 R957 R964F932-I959 HydrophobicContact CD2-CG2 3.94Å; F932-I959 HydrophobicContact CE2-CB 4.4Å; F932-I959 HydrophobicContact CE2-CG2 4.01Å; F934-I959 HydrophobicContact CD1-CD1 3.8Å; F934-I959 HydrophobicContact CE1-CD1 3.93Å; S947-I959 CarbonylContact C-O 3.58Å; S947-I959 WeakPolarHBondContact CA-O 3.5Å; S947-I959 WeakPolarHBondContact CB-O 3.36Å; V948-I959 HydrophobicContact CG2-CB 4.41Å; V948-I959 PolarHBondContact N-O 2.89Å; V948-I959 PolarHBondContact O-N 2.84Å; R957-I959 HydrophobicContact CB-CG1 4.5Å; R957-I959 HydrophobicContact CG-CD1 4.1Å; R957-I959 HydrophobicContact CG-CG1 3.8Å; I959-R964 WeakPolarHBondContact CA-O 3.24Å
960D86.1Confident87.6Confident11 Ų1144.6 Ų44.66%0.05923%0.228CC..EExtended strand (participates in β ladder)trans-76.9167.7174.977.15.3000112.7F962 G963 R964 T966D960-F962 PolarHBondContact O-N 3.09Å; D960-F962 VanDerWaalsContact OD1-CA 3.29Å; D960-F962 WeakPolarHBondContact OD1-CA 3.31Å; D960-F962 VanDerWaalsContact OD1-CB 3.28Å; D960-F962 WeakPolarHBondContact OD1-CB 3.43Å; D960-F962 PolarHBondContact OD1-N 3.3Å; D960-G963 PolarHBondContact O-N 2.7Å; D960-G963 PolarHBondContact OD1-N 3.36Å; D960-G963 VanDerWaalsContact OD1-N 3.11Å; D960-R964 PolarHBondContact N-O 3.3Å; D960-R964 WeakPolarHBondContact OD1-CB 3.18Å; D960-R964 PolarHBondContact OD1-N 3.37Å; D960-R964 IonicContact OD1-NE 3.29Å; D960-R964 IonicContact OD2-CZ 2.75Å; D960-R964 IonicContact OD2-NE 3.38Å; D960-R964 PolarHBondContact OD2-NE 2.8Å; D960-R964 IonicContact OD2-NH2 3.36Å; D960-R964 PolarHBondContact OD2-NH2 3.16Å; D960-T966 HydrophobicContact CB-CG2 3.96Å
961F82.4Confident87.4Confident45 Ų4545.1 Ų45.120%0.19723%0.23CC..THydrogen-bonded Turntrans-68.32.4177.8-57-49000114.7L899 L905 M914 D946 V948L899-F961 HydrophobicContact CD1-CD1 4.43Å; L899-F961 HydrophobicContact CD1-CE1 4.33Å; L899-F961 HydrophobicContact CD2-CE1 3.65Å; L899-F961 HydrophobicContact CD2-CE2 4.37Å; L899-F961 HydrophobicContact CD2-CZ 3.58Å; L905-F961 HydrophobicContact CD2-CE1 4.49Å; M914-F961 HydrophobicContact SD-CB 4.44Å; D946-F961 VanDerWaalsContact C-CD2 3.43Å; D946-F961 WeakPolarHBondContact O-CD2 3.37Å; D946-F961 WeakPolarHBondContact O-CE2 3.29Å; D946-F961 PolarHBondContact O-N 2.83Å; V948-F961 HydrophobicContact CG1-CE1 4.09Å
962F79.3Confident87.3Confident123 Ų12350.6 Ų50.654%0.53926%0.26SS..THydrogen-bonded Turntrans-97.8-1.1169.3-55.5-100000112.2F441 D960 R964F441-F962 HydrophobicContact CB-CE1 3.7Å; F441-F962 HydrophobicContact CB-CZ 4.04Å; D960-F962 PolarHBondContact O-N 3.09Å; D960-F962 VanDerWaalsContact OD1-CA 3.29Å; D960-F962 WeakPolarHBondContact OD1-CA 3.31Å; D960-F962 VanDerWaalsContact OD1-CB 3.28Å; D960-F962 WeakPolarHBondContact OD1-CB 3.43Å; D960-F962 PolarHBondContact OD1-N 3.3Å; F962-R964 HydrophobicContact CB-CG 4.36Å
963G78.6Confident87.2Confident33 Ų3355.4 Ų55.434%0.3428%0.281SS..SBendtrans80.614.1-176.900000114.2D960D960-G963 PolarHBondContact O-N 2.7Å; D960-G963 PolarHBondContact OD1-N 3.36Å; D960-G963 VanDerWaalsContact OD1-N 3.11Å
964R83.3Confident87.1Confident151 Ų15155 Ų5557%0.5728%0.275SS*.  trans-89.4133.5177.9-57.7177.4-64.7-164.6-0109.8I959 D960 F962 T966I959-R964 WeakPolarHBondContact CA-O 3.24Å; D960-R964 PolarHBondContact N-O 3.3Å; D960-R964 WeakPolarHBondContact OD1-CB 3.18Å; D960-R964 PolarHBondContact OD1-N 3.37Å; D960-R964 IonicContact OD1-NE 3.29Å; D960-R964 IonicContact OD2-CZ 2.75Å; D960-R964 IonicContact OD2-NE 3.38Å; D960-R964 PolarHBondContact OD2-NE 2.8Å; D960-R964 IonicContact OD2-NH2 3.36Å; D960-R964 PolarHBondContact OD2-NH2 3.16Å; F962-R964 HydrophobicContact CB-CG 4.36Å; R964-T966 PolarHBondContact O-N 3.18Å
965V85.5Confident87Confident77 Ų7754.4 Ų54.447%0.46728%0.275SS..EExtended strand (participates in β ladder)trans-68.7122.7173.9-176.80000109.4R957 G958 Q967 D968R957-V965 HydrophobicContact CG-CG1 3.81Å; R957-V965 HydrophobicContact CG-CG2 4.25Å; G958-V965 CarbonylContact O-C 3.27Å; G958-V965 WeakPolarHBondContact O-CA 3.39Å; V965-Q967 WeakPolarHBondContact CG1-O 3.33Å; V965-D968 HydrophobicContact CG1-CB 4.21Å
966T83.1Confident87.1Confident74 Ų7455.4 Ų55.445%0.45428%0.279SS..EExtended strand (participates in β ladder)trans-101.1-30.1177.957.10000112.3G958 D960 R964G958-T966 VanDerWaalsContact C-OG1 3.26Å; G958-T966 PolarHBondContact O-N 2.71Å; G958-T966 PolarHBondContact O-OG1 2.64Å; D960-T966 HydrophobicContact CB-CG2 3.96Å; R964-T966 PolarHBondContact O-N 3.18Å
967Q81.9Confident87Confident38 Ų3857.3 Ų57.318%0.17829%0.287CS..EExtended strand (participates in β ladder)trans-147.2148.1179-61.6-174.3-22.100108.6A672 R957 G958 V965A672-Q967 VanDerWaalsContact CB-OE1 3.31Å; R957-Q967 CarbonylContact C-O 3.52Å; G958-Q967 PolarHBondContact N-O 3.03Å; G958-Q967 PolarHBondContact O-N 3.47Å; V965-Q967 WeakPolarHBondContact CG1-O 3.33Å
968D87.4Confident87.2Confident79 Ų7955.6 Ų55.642%0.42228%0.28SS..EExtended strand (participates in β ladder)trans-145.4132.6174.1-146.218.7000109R957 V965R957-D968 WeakPolarHBondContact CB-OD1 3.32Å; R957-D968 VanDerWaalsContact CG-OD1 3.31Å; R957-D968 WeakPolarHBondContact CG-OD1 3.35Å; R957-D968 IonicContact CZ-OD1 2.61Å; R957-D968 IonicContact CZ-OD2 3.86Å; R957-D968 VanDerWaalsContact NE-CG 3.3Å; R957-D968 IonicContact NE-OD1 3.34Å; R957-D968 PolarHBondContact NE-OD1 3.43Å; R957-D968 IonicContact NE-OD2 3.94Å; R957-D968 PolarHBondContact NE-OD2 3.46Å; R957-D968 IonicContact NH2-OD1 3.32Å; R957-D968 IonicContact NH2-OD2 2.68Å; R957-D968 PolarHBondContact NH2-OD2 2.82Å; V965-D968 HydrophobicContact CG1-CB 4.21Å
969I87.7Confident87.4Confident33 Ų3355.8 Ų55.817%0.16928%0.281CS..EExtended strand (participates in β ladder)trans-138.3113.6176-52.4-179.9000106.3F674 G955 L956 L1004F674-I969 HydrophobicContact CD2-CG2 4.12Å; F674-I969 HydrophobicContact CE2-CB 4.5Å; F674-I969 HydrophobicContact CE2-CD1 4.36Å; F674-I969 HydrophobicContact CE2-CG2 3.79Å; G955-I969 CarbonylContact C-O 3.49Å; G955-I969 VanDerWaalsContact CA-O 3.32Å; G955-I969 WeakPolarHBondContact CA-O 3.49Å; L956-I969 HydrophobicContact CD1-CD1 4.48Å; L956-I969 HydrophobicContact CD2-CD1 4.25Å; L956-I969 HydrophobicContact CG-CB 4.36Å; L956-I969 HydrophobicContact CG-CD1 4.16Å; L956-I969 HydrophobicContact CG-CG1 4.35Å; L956-I969 PolarHBondContact N-O 2.91Å; L956-I969 PolarHBondContact O-N 2.86Å; I969-L1004 HydrophobicContact CD1-CD1 3.96Å
970D89.8Confident87.4Confident95 Ų9555.5 Ų55.551%0.50828%0.28SS..EExtended strand (participates in β ladder)trans-134.3123.2178.1-155.217.8000108.1H952 H954H952-D970 IonicContact CE1-OD1 2.75Å; H952-D970 PolarHBondContact CE1-OD1 3.45Å; H952-D970 IonicContact ND1-OD1 3.65Å; H954-D970 VanDerWaalsContact CB-OD1 3.29Å; H954-D970 WeakPolarHBondContact CB-OD1 3.19Å
971D90.1Very high87.5Confident13 Ų1356.2 Ų56.27%0.0729%0.286CS..  trans-14094.5178.9-178.516.1000108.6H954 K973 H974 Y976H954-D971 PolarHBondContact O-N 2.78Å; D971-K973 PolarHBondContact O-N 3.26Å; D971-K973 VanDerWaalsContact O-N 3.1Å; D971-K973 WeakPolarHBondContact OD1-CB 3.38Å; D971-K973 WeakPolarHBondContact OD1-CG 3.33Å; D971-K973 PolarHBondContact OD1-N 3.27Å; D971-H974 PolarHBondContact O-N 2.66Å; D971-H974 VanDerWaalsContact O-O 3.07Å; D971-H974 IonicContact OD2-CE1 2.8Å; D971-H974 IonicContact OD2-CG 2.72Å; D971-H974 IonicContact OD2-ND1 3.58Å; D971-H974 PolarHBondContact OD2-ND1 3.5Å; D971-Y976 HydrophobicContact CB-CE2 4.19Å; D971-Y976 PolarHBondContact OD2-OH 2.84Å
972D90.7Very high87.3Confident118 Ų11857.5 Ų57.563%0.63130%0.295SS*.THydrogen-bonded Turntrans-59.9-21.5-176.568.2-24.6000113.4H974 S992D972-H974 PolarHBondContact O-N 3.46Å; D972-S992 VanDerWaalsContact O-CB 3.27Å; D972-S992 WeakPolarHBondContact O-CB 3.29Å; D972-S992 PolarHBondContact O-OG 3.1Å
973K90.5Very high87.4Confident110 Ų11059.3 Ų59.348%0.47830%0.298SS..THydrogen-bonded Turntrans-69.1-16.7175.1-52173.6-165.1167.70113.4G661 D971 P991 S992G661-K973 PolarHBondContact O-NZ 3.09Å; D971-K973 PolarHBondContact O-N 3.26Å; D971-K973 VanDerWaalsContact O-N 3.1Å; D971-K973 WeakPolarHBondContact OD1-CB 3.38Å; D971-K973 WeakPolarHBondContact OD1-CG 3.33Å; D971-K973 PolarHBondContact OD1-N 3.27Å; K973-P991 CarbonylContact O-C 3.51Å; K973-P991 WeakPolarHBondContact O-CA 3.47Å; K973-S992 VanDerWaalsContact C-OG 3.25Å; K973-S992 PolarHBondContact O-N 3.32Å; K973-S992 PolarHBondContact O-OG 3.06Å
974H90.1Very high87.7Confident46 Ų4659.4 Ų59.421%0.21329%0.291CS..EExtended strand (participates in β ladder)trans-128.7147.4-177.7-67.1104.4000113.3H954 D971 D972 Y976 R990 S992H954-H974 PolarHBondContact ND1-O 3.43Å; D971-H974 PolarHBondContact O-N 2.66Å; D971-H974 VanDerWaalsContact O-O 3.07Å; D971-H974 IonicContact OD2-CE1 2.8Å; D971-H974 IonicContact OD2-CG 2.72Å; D971-H974 IonicContact OD2-ND1 3.58Å; D971-H974 PolarHBondContact OD2-ND1 3.5Å; D972-H974 PolarHBondContact O-N 3.46Å; H974-Y976 HydrophobicContact CB-CD2 4.22Å; H974-Y976 HydrophobicContact CB-CE2 3.53Å; H974-R990 CarbonylContact C-O 3.57Å; H974-R990 VanDerWaalsContact CA-O 3.26Å; H974-R990 WeakPolarHBondContact CA-O 3.26Å; H974-S992 VanDerWaalsContact C-OG 3.25Å; H974-S992 WeakPolarHBondContact CA-OG 3.4Å; H974-S992 PolarHBondContact N-OG 3.26Å; H974-S992 PolarHBondContact O-OG 3.49Å
975V91.6Very high88Confident49 Ų4952.4 Ų52.430%0.29727%0.265SS..EExtended strand (participates in β ladder)trans-103122.5167.2175.70000109T953 S989 R990T953-V975 HydrophobicContact CG2-CG1 3.96Å; T953-V975 HydrophobicContact CG2-CG2 4.17Å; T953-V975 CarbonylContact O-C 3.6Å; T953-V975 VanDerWaalsContact O-CA 3.26Å; T953-V975 WeakPolarHBondContact O-CA 3.16Å; V975-S989 CarbonylContact O-C 3.51Å; V975-S989 VanDerWaalsContact O-CA 3.26Å; V975-S989 WeakPolarHBondContact O-CA 3.34Å; V975-R990 PolarHBondContact N-O 3.19Å; V975-R990 PolarHBondContact O-N 3.09Å
976Y92.5Very high88.3Confident21 Ų2148.8 Ų48.88%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-106147.8-177.8-62.8-93.5000112.4F674 T953 H954 D971 H974 V987 E988 L1002F674-Y976 HydrophobicContact CD2-CD1 4.16Å; F674-Y976 AromaticContact CD2-CE1 3.54Å; F674-Y976 HydrophobicContact CD2-CE1 3.54Å; F674-Y976 AromaticContact CE2-CD1 3.72Å; F674-Y976 HydrophobicContact CE2-CD1 3.72Å; F674-Y976 AromaticContact CE2-CE1 3.47Å; F674-Y976 HydrophobicContact CE2-CE1 3.47Å; F674-Y976 VanDerWaalsContact CE2-CE1 3.47Å; F674-Y976 HydrophobicContact CE2-CG 4.37Å; F674-Y976 AromaticContact CE2-CZ 3.92Å; F674-Y976 HydrophobicContact CG-CE1 4.37Å; F674-Y976 HydrophobicContact CZ-CD1 4.07Å; F674-Y976 HydrophobicContact CZ-CE1 4.26Å; T953-Y976 PolarHBondContact O-N 3.21Å; H954-Y976 VanDerWaalsContact C-CD2 3.44Å; H954-Y976 WeakPolarHBondContact O-CE2 3.48Å; D971-Y976 HydrophobicContact CB-CE2 4.19Å; D971-Y976 PolarHBondContact OD2-OH 2.84Å; H974-Y976 HydrophobicContact CB-CD2 4.22Å; H974-Y976 HydrophobicContact CB-CE2 3.53Å; Y976-V987 HydrophobicContact CD1-CG1 3.97Å; Y976-E988 CarbonylContact C-O 3.55Å; Y976-E988 WeakPolarHBondContact CA-O 3.11Å; Y976-L1002 HydrophobicContact CD1-CD1 3.94Å; Y976-L1002 HydrophobicContact CE1-CD1 3.66Å
977R91.2Very high88.8Confident41 Ų4145.2 Ų45.216%0.15522%0.221CC..EExtended strand (participates in β ladder)trans-143.7129.8172.9174.4177.775.4101.9-6.8112.4I384 V685 L979 V987 E988I384-R977 HydrophobicContact CD1-CB 4.36Å; I384-R977 HydrophobicContact CD1-CG 3.84Å; V685-R977 PolarHBondContact O-NH1 3.1Å; V685-R977 PolarHBondContact O-NH2 3.34Å; R977-L979 VanDerWaalsContact CZ-CD2 3.46Å; R977-L979 PolarHBondContact O-N 3.36Å; R977-V987 CarbonylContact O-C 3.5Å; R977-V987 WeakPolarHBondContact O-CA 3.43Å; R977-E988 HydrophobicContact CB-CG 3.78Å; R977-E988 HydrophobicContact CG-CG 4.46Å; R977-E988 IonicContact CZ-OE1 3.62Å; R977-E988 IonicContact CZ-OE2 3.75Å; R977-E988 PolarHBondContact N-O 2.99Å; R977-E988 IonicContact NE-OE1 3.79Å; R977-E988 PolarHBondContact NE-OE1 2.98Å; R977-E988 IonicContact NE-OE2 2.75Å; R977-E988 IonicContact NH2-OE1 3.23Å; R977-E988 PolarHBondContact NH2-OE1 3.37Å; R977-E988 IonicContact NH2-OE2 2.72Å; R977-E988 PolarHBondContact NH2-OE2 2.75Å; R977-E988 PolarHBondContact O-N 3.34Å
978L93.1Very high89.4Confident2 Ų243.7 Ų43.71%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-65.4127.8172.9-173.967.6000111.9Q382 S940 V942 F951 I985 V987Q382-L978 PolarHBondContact NE2-O 2.93Å; Q382-L978 VanDerWaalsContact NE2-O 3.08Å; S940-L978 WeakPolarHBondContact OG-CB 3.44Å; V942-L978 HydrophobicContact CG2-CD1 4.08Å; V942-L978 HydrophobicContact CG2-CD2 3.68Å; F951-L978 HydrophobicContact CE2-CD1 4.25Å; F951-L978 HydrophobicContact CZ-CD1 4.27Å; L978-I985 HydrophobicContact CD1-CG2 3.8Å; L978-V987 HydrophobicContact CD1-CG2 4.35Å
979L92.4Very high89.7Confident4 Ų440.1 Ų40.12%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-101.5-28.8177-60.9-179.6000112.8V685 T688 R977 V986 E988 L1001V685-L979 HydrophobicContact CB-CD1 4.18Å; V685-L979 HydrophobicContact CB-CD2 4.04Å; V685-L979 HydrophobicContact CG1-CD1 4.04Å; V685-L979 HydrophobicContact CG1-CD2 4.08Å; V685-L979 HydrophobicContact CG1-CG 4.46Å; T688-L979 HydrophobicContact CG2-CB 3.91Å; T688-L979 HydrophobicContact CG2-CD1 4.46Å; T688-L979 PolarHBondContact N-O 3.05Å; T688-L979 PolarHBondContact OG1-O 3.29Å; R977-L979 VanDerWaalsContact CZ-CD2 3.46Å; R977-L979 PolarHBondContact O-N 3.36Å; L979-V986 HydrophobicContact CB-CB 4.34Å; L979-V986 HydrophobicContact CB-CG1 4.39Å; L979-V986 WeakPolarHBondContact CB-O 3.44Å; L979-V986 HydrophobicContact CD1-CG1 4.18Å; L979-V986 PolarHBondContact N-O 2.75Å; L979-E988 HydrophobicContact CD1-CB 4.05Å; L979-E988 HydrophobicContact CD2-CB 4.43Å; L979-E988 HydrophobicContact CD2-CG 4.01Å; L979-E988 HydrophobicContact CG-CB 4.36Å; L979-E988 HydrophobicContact CG-CG 4.35Å; L979-L1001 HydrophobicContact CD1-CD2 3.84Å
980G88.4Confident89.8Confident2 Ų240.9 Ų40.92%0.02120%0.196CC..EExtended strand (participates in β ladder)trans171.3163172.600000113T688 V986T688-G980 PolarHBondContact OG1-N 3.08Å; G980-V986 PolarHBondContact N-O 3.43Å; G980-V986 PolarHBondContact O-N 2.75Å
981S87.4Confident89.9Confident26 Ų2638.3 Ų38.318%0.18218%0.184CC..EExtended strand (participates in β ladder)trans-14560.5-174.368.70000113.3
982D78.3Confident89.8Confident72 Ų7239.6 Ų39.639%0.38519%0.194SC..SBendtrans-93.3-51.7-179.2177.871.6000113.2
983R82Confident89.8Confident162 Ų16240.9 Ų40.961%0.61120%0.201SC*.SBendtrans-130.9-44.7170.6-65.1-176.5-179.8-162.9-0.7111.7T690T690-R983 HydrophobicContact CG2-CB 4.24Å
984N84.7Confident89.5Confident34 Ų3439.1 Ų39.118%0.18220%0.197CC..SBendtrans-98.5135.5166.6-60.4-14.5000107.6T690 V986 I1003T690-N984 PolarHBondContact OG1-N 3.22Å; N984-V986 HydrophobicContact CB-CG2 4.16Å; N984-V986 PolarHBondContact O-N 2.68Å; N984-I1003 HydrophobicContact CB-CG2 4.47Å
985I90.1Very high88.8Confident5 Ų540.4 Ų40.43%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-81.6110.6165.3-64.5-179.4000106.7V942 L949 F951 L978 V987 I1003 L1004 H1007V942-I985 HydrophobicContact CB-CD1 4.33Å; V942-I985 HydrophobicContact CG1-CD1 3.84Å; V942-I985 HydrophobicContact CG1-CG1 4.39Å; V942-I985 HydrophobicContact CG2-CD1 4.33Å; L949-I985 HydrophobicContact CD1-CD1 3.56Å; F951-I985 HydrophobicContact CE2-CG2 4.38Å; F951-I985 HydrophobicContact CZ-CG2 3.76Å; L978-I985 HydrophobicContact CD1-CG2 3.8Å; I985-V987 HydrophobicContact CG2-CG2 4.21Å; I985-I1003 VanDerWaalsContact O-CA 3.31Å; I985-I1003 WeakPolarHBondContact O-CA 3.34Å; I985-L1004 HydrophobicContact CB-CB 4.06Å; I985-L1004 HydrophobicContact CD1-CD2 4.25Å; I985-L1004 HydrophobicContact CG2-CB 4.08Å; I985-L1004 PolarHBondContact O-N 3.47Å; I985-H1007 VanDerWaalsContact CD1-NE2 3.34Å; I985-H1007 WeakPolarHBondContact CD1-NE2 3.39Å
986V92.4Very high88.2Confident0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-106.5132.8-176.5-166.70000109.1T688 I701 F703 L979 G980 N984 L1002 I1003T688-V986 HydrophobicContact CG2-CB 4.49Å; T688-V986 HydrophobicContact CG2-CG1 4.28Å; I701-V986 HydrophobicContact CD1-CG2 4.11Å; I701-V986 HydrophobicContact CG2-CG2 4.22Å; F703-V986 HydrophobicContact CE1-CG1 4.21Å; L979-V986 HydrophobicContact CB-CB 4.34Å; L979-V986 HydrophobicContact CB-CG1 4.39Å; L979-V986 WeakPolarHBondContact CB-O 3.44Å; L979-V986 HydrophobicContact CD1-CG1 4.18Å; L979-V986 PolarHBondContact N-O 2.75Å; G980-V986 PolarHBondContact N-O 3.43Å; G980-V986 PolarHBondContact O-N 2.75Å; N984-V986 HydrophobicContact CB-CG2 4.16Å; N984-V986 PolarHBondContact O-N 2.68Å; V986-L1002 WeakPolarHBondContact CA-O 3.26Å; V986-L1002 WeakPolarHBondContact CG1-O 3.19Å; V986-I1003 HydrophobicContact CG2-CG2 4.34Å
987V93.2Very high87.7Confident0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-134.2143.4-172.31800000108.2F674 F951 Y976 R977 L978 I985 L1002F674-V987 HydrophobicContact CE1-CB 4.42Å; F674-V987 HydrophobicContact CE1-CG1 4.39Å; F674-V987 HydrophobicContact CE1-CG2 4.05Å; F951-V987 HydrophobicContact CE1-CG2 3.74Å; F951-V987 HydrophobicContact CZ-CG2 4.28Å; Y976-V987 HydrophobicContact CD1-CG1 3.97Å; R977-V987 CarbonylContact O-C 3.5Å; R977-V987 WeakPolarHBondContact O-CA 3.43Å; L978-V987 HydrophobicContact CD1-CG2 4.35Å; I985-V987 HydrophobicContact CG2-CG2 4.21Å; V987-L1002 HydrophobicContact CB-CB 4.36Å; V987-L1002 PolarHBondContact N-O 2.89Å; V987-L1002 PolarHBondContact O-N 3.44Å
988E93.5Very high87.5Confident5 Ų547.1 Ų47.12%0.02325%0.247CC..EExtended strand (participates in β ladder)trans-98.4149.9161.861173.8-146.200110.7Y976 R977 L979 R990 N1000 L1001Y976-E988 CarbonylContact C-O 3.55Å; Y976-E988 WeakPolarHBondContact CA-O 3.11Å; R977-E988 HydrophobicContact CB-CG 3.78Å; R977-E988 HydrophobicContact CG-CG 4.46Å; R977-E988 IonicContact CZ-OE1 3.62Å; R977-E988 IonicContact CZ-OE2 3.75Å; R977-E988 PolarHBondContact N-O 2.99Å; R977-E988 IonicContact NE-OE1 3.79Å; R977-E988 PolarHBondContact NE-OE1 2.98Å; R977-E988 IonicContact NE-OE2 2.75Å; R977-E988 IonicContact NH2-OE1 3.23Å; R977-E988 PolarHBondContact NH2-OE1 3.37Å; R977-E988 IonicContact NH2-OE2 2.72Å; R977-E988 PolarHBondContact NH2-OE2 2.75Å; R977-E988 PolarHBondContact O-N 3.34Å; L979-E988 HydrophobicContact CD1-CB 4.05Å; L979-E988 HydrophobicContact CD2-CB 4.43Å; L979-E988 HydrophobicContact CD2-CG 4.01Å; L979-E988 HydrophobicContact CG-CB 4.36Å; L979-E988 HydrophobicContact CG-CG 4.35Å; E988-R990 VanDerWaalsContact CD-NH2 3.27Å; E988-R990 IonicContact OE1-CZ 3.73Å; E988-R990 VanDerWaalsContact OE1-CZ 3.3Å; E988-R990 IonicContact OE1-NH1 3.18Å; E988-R990 PolarHBondContact OE1-NH1 3.44Å; E988-R990 IonicContact OE1-NH2 2.82Å; E988-R990 PolarHBondContact OE1-NH2 3.47Å; E988-R990 IonicContact OE2-NH2 3.83Å; E988-R990 PolarHBondContact OE2-NH2 2.91Å; E988-N1000 CarbonylContact C-O 3.53Å; E988-N1000 WeakPolarHBondContact CA-O 3.49Å; E988-L1001 HydrophobicContact CB-CD2 4.19Å
989S93.5Very high87.3Confident4 Ų447.2 Ų47.23%0.02825%0.248CC..EExtended strand (participates in β ladder)trans-125.9155.2164.269.10000112.3V975 S999 N1000V975-S989 CarbonylContact O-C 3.51Å; V975-S989 VanDerWaalsContact O-CA 3.26Å; V975-S989 WeakPolarHBondContact O-CA 3.34Å; S989-S999 CarbonylContact O-C 3.56Å; S989-S999 VanDerWaalsContact O-CA 3.29Å; S989-S999 WeakPolarHBondContact O-CA 3.18Å; S989-N1000 PolarHBondContact N-O 3.05Å; S989-N1000 PolarHBondContact O-N 3.06Å
990R91Very high87.2Confident49 Ų4948.4 Ų48.419%0.18525%0.254CS..EExtended strand (participates in β ladder)trans-137.2149.9167-72.2-177.1-164.278.815108.8H974 V975 E988 S997 S999H974-R990 CarbonylContact C-O 3.57Å; H974-R990 VanDerWaalsContact CA-O 3.26Å; H974-R990 WeakPolarHBondContact CA-O 3.26Å; V975-R990 PolarHBondContact N-O 3.19Å; V975-R990 PolarHBondContact O-N 3.09Å; E988-R990 VanDerWaalsContact CD-NH2 3.27Å; E988-R990 IonicContact OE1-CZ 3.73Å; E988-R990 VanDerWaalsContact OE1-CZ 3.3Å; E988-R990 IonicContact OE1-NH1 3.18Å; E988-R990 PolarHBondContact OE1-NH1 3.44Å; E988-R990 IonicContact OE1-NH2 2.82Å; E988-R990 PolarHBondContact OE1-NH2 3.47Å; E988-R990 IonicContact OE2-NH2 3.83Å; E988-R990 PolarHBondContact OE2-NH2 2.91Å; R990-S997 WeakPolarHBondContact CB-OG 3.27Å; R990-S997 WeakPolarHBondContact CD-O 3.29Å; R990-S997 WeakPolarHBondContact CG-OG 3.45Å; R990-S997 PolarHBondContact NE-O 2.87Å; R990-S997 VanDerWaalsContact NE-O 3.13Å; R990-S999 VanDerWaalsContact NH2-CB 3.26Å; R990-S999 PolarHBondContact NH2-OG 3.33Å
991P90.6Very high87.3Confident42 Ų4248.3 Ų48.327%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-54.7141.4166.6-26.636.5000112K973 D993 D994 S997K973-P991 CarbonylContact O-C 3.51Å; K973-P991 WeakPolarHBondContact O-CA 3.47Å; P991-D993 VanDerWaalsContact C-N 3.28Å; P991-D993 WeakPolarHBondContact CB-OD1 3.26Å; P991-D993 PolarHBondContact O-N 3.41Å; P991-D994 CarbonylContact O-C 3.54Å; P991-D994 VanDerWaalsContact O-C 3.27Å; P991-D994 PolarHBondContact O-N 2.87Å; P991-S997 WeakPolarHBondContact CD-OG 3.37Å
992S89.6Confident87.5Confident39 Ų3947.5 Ų47.527%0.27325%0.247SC..SBendtrans-70.4-24-178.9-65.90000113.2H954 D972 K973 H974H954-S992 PolarHBondContact CE1-OG 3.46Å; D972-S992 VanDerWaalsContact O-CB 3.27Å; D972-S992 WeakPolarHBondContact O-CB 3.29Å; D972-S992 PolarHBondContact O-OG 3.1Å; K973-S992 VanDerWaalsContact C-OG 3.25Å; K973-S992 PolarHBondContact O-N 3.32Å; K973-S992 PolarHBondContact O-OG 3.06Å; H974-S992 VanDerWaalsContact C-OG 3.25Å; H974-S992 WeakPolarHBondContact CA-OG 3.4Å; H974-S992 PolarHBondContact N-OG 3.26Å; H974-S992 PolarHBondContact O-OG 3.49Å
993D89.2Confident88.1Confident145 Ų14545.1 Ų45.178%0.77523%0.234SC*.SBendtrans-83.9-26.9177.364.5-33000113.3P991P991-D993 VanDerWaalsContact C-N 3.28Å; P991-D993 WeakPolarHBondContact CB-OD1 3.26Å; P991-D993 PolarHBondContact O-N 3.41Å
994D85.6Confident88.3Confident74 Ų7437.7 Ų37.740%0.39621%0.206SC..  trans-120.883.6167.1-175.111.4000113.6P991 M996 S997P991-D994 CarbonylContact O-C 3.54Å; P991-D994 VanDerWaalsContact O-C 3.27Å; P991-D994 PolarHBondContact O-N 2.87Å; D994-M996 PolarHBondContact O-N 3Å; D994-M996 VanDerWaalsContact O-N 3.13Å; D994-M996 WeakPolarHBondContact OD1-CA 3.47Å; D994-M996 WeakPolarHBondContact OD1-CB 3.36Å; D994-M996 PolarHBondContact OD1-N 3.46Å; D994-S997 VanDerWaalsContact O-CB 3.26Å; D994-S997 WeakPolarHBondContact O-CB 3.28Å; D994-S997 PolarHBondContact O-N 3.34Å; D994-S997 PolarHBondContact O-OG 2.61Å; D994-S997 PolarHBondContact OD1-N 3.29Å; D994-S997 VanDerWaalsContact OD1-N 3.13Å; D994-S997 WeakPolarHBondContact OD2-CB 3.32Å; D994-S997 PolarHBondContact OD2-N 3.48Å
995P73.7Confident88.2Confident73 Ų7338.6 Ų38.647%0.47421%0.213SC..THydrogen-bonded Turntrans-64.7-9.7171.7-22.834.6000115.3
996M78.8Confident87Confident143 Ų14339.8 Ų39.870%0.70423%0.226SC*.THydrogen-bonded Turntrans-95.8-6.2178.5-67.1-62.3-59.100112.9D994D994-M996 PolarHBondContact O-N 3Å; D994-M996 VanDerWaalsContact O-N 3.13Å; D994-M996 WeakPolarHBondContact OD1-CA 3.47Å; D994-M996 WeakPolarHBondContact OD1-CB 3.36Å; D994-M996 PolarHBondContact OD1-N 3.46Å
997S83.6Confident85.5Confident22 Ų2241.6 Ų41.615%0.15424%0.235CC..SBendtrans-55.3156.9174.2590000113.7R990 P991 D994R990-S997 WeakPolarHBondContact CB-OG 3.27Å; R990-S997 WeakPolarHBondContact CD-O 3.29Å; R990-S997 WeakPolarHBondContact CG-OG 3.45Å; R990-S997 PolarHBondContact NE-O 2.87Å; R990-S997 VanDerWaalsContact NE-O 3.13Å; P991-S997 WeakPolarHBondContact CD-OG 3.37Å; D994-S997 VanDerWaalsContact O-CB 3.26Å; D994-S997 WeakPolarHBondContact O-CB 3.28Å; D994-S997 PolarHBondContact O-N 3.34Å; D994-S997 PolarHBondContact O-OG 2.61Å; D994-S997 PolarHBondContact OD1-N 3.29Å; D994-S997 VanDerWaalsContact OD1-N 3.13Å; D994-S997 WeakPolarHBondContact OD2-CB 3.32Å; D994-S997 PolarHBondContact OD2-N 3.48Å
998N87.1Confident83.1Confident87 Ų8747.8 Ų47.847%0.46526%0.264SS..PPolyproline II helixtrans-66.1135.4167.3-71.7-7.3000109.9G680G680-N998 VanDerWaalsContact O-CB 3.31Å; G680-N998 WeakPolarHBondContact O-CB 3.21Å; G680-N998 PolarHBondContact O-ND2 3.32Å
999S88.1Confident80.6Confident3 Ų351.6 Ų51.62%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-74.7130.7-177.716.80000113C681 S989 R990C681-S999 WeakPolarHBondContact CA-O 3.37Å; C681-S999 WeakPolarHBondContact CB-O 3.44Å; C681-S999 PolarHBondContact N-O 3.01Å; C681-S999 PolarHBondContact O-N 3.31Å; C681-S999 PolarHBondContact O-OG 2.66Å; S989-S999 CarbonylContact O-C 3.56Å; S989-S999 VanDerWaalsContact O-CA 3.29Å; S989-S999 WeakPolarHBondContact O-CA 3.18Å; R990-S999 VanDerWaalsContact NH2-CB 3.26Å; R990-S999 PolarHBondContact NH2-OG 3.33Å
1000N90.7Very high77.4Confident30 Ų3055.5 Ų55.516%0.1631%0.311CS..EExtended strand (participates in β ladder)trans-71.2146.2161.2-66.7-21.6000109.2Q676 F678 E679 G680 E988 S989 L1002Q676-N1000 VanDerWaalsContact OE1-CG 3.27Å; Q676-N1000 PolarHBondContact OE1-ND2 2.74Å; Q676-N1000 VanDerWaalsContact OE1-ND2 3.14Å; F678-N1000 WeakPolarHBondContact O-CA 3.27Å; E679-N1000 WeakPolarHBondContact CA-OD1 3.18Å; G680-N1000 PolarHBondContact N-OD1 2.89Å; E988-N1000 CarbonylContact C-O 3.53Å; E988-N1000 WeakPolarHBondContact CA-O 3.49Å; S989-N1000 PolarHBondContact N-O 3.05Å; S989-N1000 PolarHBondContact O-N 3.06Å; N1000-L1002 HydrophobicContact CB-CD2 4.39Å
1001L90.8Very high74.2Confident0 Ų059.3 Ų59.30%035%0.345CS..EExtended strand (participates in β ladder)trans-108.3130173.8-51.4176.7000109I677 F678 C681 V685 F703 L722 L979 E988I677-L1001 HydrophobicContact CD1-CB 4.36Å; I677-L1001 HydrophobicContact CG1-CB 4.07Å; I677-L1001 WeakPolarHBondContact CG1-O 3.48Å; I677-L1001 PolarHBondContact N-O 3.15Å; F678-L1001 HydrophobicContact CB-CB 3.82Å; F678-L1001 HydrophobicContact CB-CD1 3.83Å; F678-L1001 HydrophobicContact CB-CG 3.96Å; F678-L1001 HydrophobicContact CG-CD1 4.18Å; F678-L1001 PolarHBondContact N-O 2.97Å; F678-L1001 PolarHBondContact O-N 3.3Å; C681-L1001 HydrophobicContact CB-CD1 4.1Å; C681-L1001 HydrophobicContact CB-CD2 4.39Å; C681-L1001 HydrophobicContact CB-CG 4.01Å; V685-L1001 HydrophobicContact CG2-CD2 4.3Å; F703-L1001 HydrophobicContact CD1-CD1 4.16Å; F703-L1001 HydrophobicContact CE1-CD1 3.71Å; F703-L1001 HydrophobicContact CZ-CD1 4.15Å; L722-L1001 HydrophobicContact CD1-CD1 4.06Å; L979-L1001 HydrophobicContact CD1-CD2 3.84Å; E988-L1001 HydrophobicContact CB-CD2 4.19Å
1002L91.4Very high73.3Confident9 Ų960.2 Ų60.25%0.04735%0.349CS..EExtended strand (participates in β ladder)trans-125.9154.3-171.3-47.6176.1000110F674 M675 Q676 Y976 V986 V987 N1000F674-L1002 HydrophobicContact CB-CB 4.42Å; F674-L1002 HydrophobicContact CB-CD1 4.05Å; F674-L1002 HydrophobicContact CG-CD1 4.14Å; M675-L1002 CarbonylContact O-C 3.59Å; M675-L1002 VanDerWaalsContact O-CA 3.3Å; M675-L1002 WeakPolarHBondContact O-CA 3.18Å; Q676-L1002 HydrophobicContact CB-CD2 3.78Å; Q676-L1002 HydrophobicContact CG-CD2 4.05Å; Y976-L1002 HydrophobicContact CD1-CD1 3.94Å; Y976-L1002 HydrophobicContact CE1-CD1 3.66Å; V986-L1002 WeakPolarHBondContact CA-O 3.26Å; V986-L1002 WeakPolarHBondContact CG1-O 3.19Å; V987-L1002 HydrophobicContact CB-CB 4.36Å; V987-L1002 PolarHBondContact N-O 2.89Å; V987-L1002 PolarHBondContact O-N 3.44Å; N1000-L1002 HydrophobicContact CB-CD2 4.39Å
1003I89.8Confident72.5Confident21 Ų2161.3 Ų61.311%0.10835%0.353CS..EExtended strand (participates in β ladder)trans-119.3143162.558.1174.6000109.9F674 M675 I677 I701 N984 I985 V986 V1005F674-I1003 WeakPolarHBondContact CA-O 3.09Å; M675-I1003 HydrophobicContact CB-CG1 4.03Å; M675-I1003 HydrophobicContact CG-CG1 4.49Å; M675-I1003 PolarHBondContact N-O 3.35Å; M675-I1003 PolarHBondContact O-N 3.2Å; M675-I1003 HydrophobicContact SD-CD1 4.33Å; I677-I1003 HydrophobicContact CD1-CG2 3.89Å; I677-I1003 HydrophobicContact CG1-CG2 4.38Å; I677-I1003 HydrophobicContact CG2-CD1 3.95Å; I677-I1003 HydrophobicContact CG2-CG1 3.9Å; I677-I1003 HydrophobicContact CG2-CG2 4.23Å; I701-I1003 HydrophobicContact CD1-CG2 3.92Å; N984-I1003 HydrophobicContact CB-CG2 4.47Å; I985-I1003 VanDerWaalsContact O-CA 3.31Å; I985-I1003 WeakPolarHBondContact O-CA 3.34Å; V986-I1003 HydrophobicContact CG2-CG2 4.34Å; I1003-V1005 HydrophobicContact CD1-CG2 3.94Å; I1003-V1005 HydrophobicContact CG1-CG2 3.86Å
1004L87.6Confident71.5Confident6 Ų656.6 Ų56.63%0.03133%0.33CS..EExtended strand (participates in β ladder)trans-81.3119169.7-171.869.5000109.2A672 F674 L949 L956 I969 I985 H1007A672-L1004 HydrophobicContact CB-CD1 3.97Å; A672-L1004 HydrophobicContact CB-CG 4.23Å; F674-L1004 HydrophobicContact CD1-CB 4.4Å; F674-L1004 HydrophobicContact CD1-CD1 3.84Å; F674-L1004 HydrophobicContact CE1-CB 4.48Å; F674-L1004 HydrophobicContact CE1-CD1 3.85Å; L949-L1004 HydrophobicContact CD1-CD2 3.63Å; L956-L1004 HydrophobicContact CD2-CD1 3.81Å; L956-L1004 HydrophobicContact CD2-CD2 3.66Å; L956-L1004 HydrophobicContact CD2-CG 4.35Å; I969-L1004 HydrophobicContact CD1-CD1 3.96Å; I985-L1004 HydrophobicContact CB-CB 4.06Å; I985-L1004 HydrophobicContact CD1-CD2 4.25Å; I985-L1004 HydrophobicContact CG2-CB 4.08Å; I985-L1004 PolarHBondContact O-N 3.47Å; L1004-H1007 HydrophobicContact CD2-CB 4.03Å; L1004-H1007 HydrophobicContact CG-CB 4.47Å; L1004-H1007 PolarHBondContact O-CE1 3.44Å; L1004-H1007 PolarHBondContact O-ND1 3.1Å
1005V81.9Confident70.7Confident54 Ų5455.6 Ų55.633%0.32733%0.326SS..EExtended strand (participates in β ladder)trans-110.6153.7177.3-173.20000108.7A672 C673 M675 I1003 H1007A672-V1005 CarbonylContact C-O 3.57Å; A672-V1005 WeakPolarHBondContact CA-O 3.46Å; A672-V1005 WeakPolarHBondContact CB-O 3.45Å; C673-V1005 PolarHBondContact N-O 2.76Å; C673-V1005 PolarHBondContact O-N 3.2Å; M675-V1005 HydrophobicContact CB-CG2 3.8Å; M675-V1005 HydrophobicContact CE-CG2 4.03Å; M675-V1005 HydrophobicContact SD-CG2 4.1Å; I1003-V1005 HydrophobicContact CD1-CG2 3.94Å; I1003-V1005 HydrophobicContact CG1-CG2 3.86Å; V1005-H1007 VanDerWaalsContact C-N 3.26Å; V1005-H1007 PolarHBondContact O-N 3.32Å
1006G65.3Low70.5Confident30 Ų3054.5 Ų54.531%0.30932%0.316SS..SBendtrans79.6-0.1178.800000115.2E1008G1006-E1008 PolarHBondContact O-N 2.83Å
1007H60.1Low70Confident37 Ų3748.6 Ų48.617%0.17129%0.291CS..  trans-77.911215775.8-76000107.7A672 I985 L1004 V1005A672-H1007 HydrophobicContact CB-CB 4.31Å; I985-H1007 VanDerWaalsContact CD1-NE2 3.34Å; I985-H1007 WeakPolarHBondContact CD1-NE2 3.39Å; L1004-H1007 HydrophobicContact CD2-CB 4.03Å; L1004-H1007 HydrophobicContact CG-CB 4.47Å; L1004-H1007 PolarHBondContact O-CE1 3.44Å; L1004-H1007 PolarHBondContact O-ND1 3.1Å; V1005-H1007 VanDerWaalsContact C-N 3.26Å; V1005-H1007 PolarHBondContact O-N 3.32Å
1008E42.5Very low69Low131 Ų13150.5 Ų50.561%0.61230%0.3SS*.  trans-101.6111.7169-71.5-163.8154.900109.1M670 G1006 S1010M670-E1008 HydrophobicContact CE-CG 3.98Å; M670-E1008 WeakPolarHBondContact CE-OE2 3.43Å; G1006-E1008 PolarHBondContact O-N 2.83Å; E1008-S1010 PolarHBondContact O-N 3.12Å; E1008-S1010 PolarHBondContact O-OG 3.34Å
1009D41.6Very low67.6Low84 Ų8447.7 Ų47.745%0.44929%0.288SS..  trans-56.2106.9157.1-116.1-27.6000106.8L944 H945 S1011L944-D1009 VanDerWaalsContact CA-OD1 3.25Å; L944-D1009 WeakPolarHBondContact CA-OD1 3.37Å; L944-D1009 WeakPolarHBondContact CB-OD1 3.22Å; H945-D1009 PolarHBondContact N-OD1 3.32Å; D1009-S1011 VanDerWaalsContact C-N 3.26Å; D1009-S1011 PolarHBondContact O-N 2.72Å
1010S25.6Very low65.9Low86 Ų8651.4 Ų51.460%0.60131%0.31SS*.  trans-81.966.5-161.8-69.20000112.3E1008E1008-S1010 PolarHBondContact O-N 3.12Å; E1008-S1010 PolarHBondContact O-OG 3.34Å
1011S23.7Very low63.7Low129 Ų12953.4 Ų53.490%0.90232%0.324SS*.  trans-151.60-178.268.80000115.3R228 D1009R228-S1011 PolarHBondContact NH1-O 3.49Å; D1009-S1011 VanDerWaalsContact C-N 3.26Å; D1009-S1011 PolarHBondContact O-N 2.72Å

Retrieved 1,011 of 1,011 residues in 234.5 ms (Link to these results)

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