A0A5K4F1D3_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1D3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 424 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
1M27.4Very low60.3Low227 Ų227103.2 Ų103.2100%1.11850%0.502SS*.  0105.20-96.5179.8172.200107.8K3M1-K3 PolarHBondContact O-N 2.91Å
2S37.2Very low62.2Low45 Ų4596.9 Ų96.932%0.31547%0.472SS..  trans-73.8106.8174.866.60000109.4Y78S2-Y78 WeakPolarHBondContact CB-OH 3.32Å; S2-Y78 PolarHBondContact OG-OH 3.3Å
3K35.9Very low63.5Low183 Ų18399.6 Ų99.680%0.79648%0.48SS*.  trans-74.1122.9161.2-75.6179.7177.1176.40106.5M1 D5M1-K3 PolarHBondContact O-N 2.91Å; K3-D5 PolarHBondContact O-N 2.68Å
4T43.7Very low63.9Low50 Ų5097 Ų9731%0.30748%0.475SS..  trans-63.495.6161.7-4.50000105.6N6T4-N6 VanDerWaalsContact C-N 3.33Å; T4-N6 PolarHBondContact O-N 3.46Å
5D50.9Low64.1Low95 Ų9597.1 Ų97.151%0.50849%0.49SS..  trans-75.994.7173-162.9-10.1000106.8K3 R7 L8K3-D5 PolarHBondContact O-N 2.68Å; D5-R7 PolarHBondContact O-N 3.5Å; D5-R7 WeakPolarHBondContact OD1-CB 3.31Å; D5-R7 PolarHBondContact OD1-N 2.69Å; D5-L8 WeakPolarHBondContact O-CB 3.26Å; D5-L8 PolarHBondContact O-N 2.73Å
6N52.8Low64.5Low105 Ų10594.9 Ų94.956%0.56148%0.48SS*.THydrogen-bonded Turntrans-59.4-3.1177.2-74.4-6.4000112.4T4 N75T4-N6 VanDerWaalsContact C-N 3.33Å; T4-N6 PolarHBondContact O-N 3.46Å; N6-N75 PolarHBondContact OD1-ND2 2.7Å
7R71.3Confident63.9Low228 Ų228101.7 Ų101.786%0.8651%0.505SS*.THydrogen-bonded Turntrans-94.1-6.4174.2-61-176.7176-176.4-1.2114.5D5D5-R7 PolarHBondContact O-N 3.5Å; D5-R7 WeakPolarHBondContact OD1-CB 3.31Å; D5-R7 PolarHBondContact OD1-N 2.69Å
8L84Confident63.4Low27 Ų27104.4 Ų104.414%0.14152%0.522CS..SBendtrans-68.7-36.7-175.9-17966.3000112.7D5 F36 L57 T61 V63 T79D5-L8 WeakPolarHBondContact O-CB 3.26Å; D5-L8 PolarHBondContact O-N 2.73Å; L8-F36 HydrophobicContact CG-CD1 4.48Å; L8-F36 WeakPolarHBondContact O-CA 3.38Å; L8-L57 HydrophobicContact CD1-CD1 4.18Å; L8-L57 HydrophobicContact CD2-CD1 4.28Å; L8-L57 HydrophobicContact CG-CD1 4.45Å; L8-T61 HydrophobicContact CD2-CG2 3.77Å; L8-V63 HydrophobicContact CD2-CG2 4.08Å; L8-T79 HydrophobicContact CD2-CG2 3.6Å
9M86.8Confident63.4Low10 Ų10100.6 Ų100.65%0.04950%0.503CS..  trans-142.1135.3-169.6-173.7179.669.800110.7F11 L34 D35 F36 V63 F77M9-F11 HydrophobicContact CE-CD2 4.36Å; M9-F11 HydrophobicContact CE-CE1 4.34Å; M9-F11 HydrophobicContact CE-CE2 3.54Å; M9-F11 HydrophobicContact CE-CZ 3.53Å; M9-L34 HydrophobicContact CE-CD2 4.37Å; M9-L34 HydrophobicContact CG-CB 4.19Å; M9-L34 HydrophobicContact SD-CB 3.9Å; M9-L34 HydrophobicContact SD-CD1 4Å; M9-L34 HydrophobicContact SD-CD2 3.93Å; M9-L34 HydrophobicContact SD-CG 4.15Å; M9-D35 CarbonylContact C-O 3.58Å; M9-D35 WeakPolarHBondContact CA-O 3Å; M9-F36 HydrophobicContact CB-CD1 3.9Å; M9-F36 HydrophobicContact CB-CE1 3.76Å; M9-F36 HydrophobicContact CG-CD1 3.94Å; M9-F36 HydrophobicContact CG-CE1 3.53Å; M9-F36 HydrophobicContact CG-CZ 4.06Å; M9-F36 HydrophobicContact SD-CD1 4.44Å; M9-F36 HydrophobicContact SD-CE1 3.45Å; M9-F36 WeakPolarHBondContact SD-CE1 3.44Å; M9-F36 HydrophobicContact SD-CZ 3.63Å; M9-V63 HydrophobicContact SD-CG1 4.38Å; M9-F77 HydrophobicContact CE-CB 4.06Å; M9-F77 HydrophobicContact CE-CD1 3.48Å; M9-F77 VanDerWaalsContact CE-CD1 3.48Å; M9-F77 HydrophobicContact CE-CD2 4.07Å; M9-F77 HydrophobicContact CE-CE1 3.86Å; M9-F77 HydrophobicContact CE-CE2 4.4Å; M9-F77 HydrophobicContact CE-CG 3.6Å; M9-F77 HydrophobicContact CE-CZ 4.3Å
10T87.3Confident63.3Low81 Ų8198.6 Ų98.650%0.49749%0.494SS..EExtended strand (participates in β ladder)trans-113.9133.2171.7-54.50000109.3L12 D35T10-L12 HydrophobicContact CG2-CD2 3.89Å; T10-D35 PolarHBondContact N-O 3.22Å; T10-D35 PolarHBondContact O-N 2.88Å
11F85.7Confident63.7Low84 Ų84100 Ų10037%0.36850%0.502SS..EExtended strand (participates in β ladder)trans-82.5121.7168.6-71-91.2000109M9 L34 L65 F77M9-F11 HydrophobicContact CE-CD2 4.36Å; M9-F11 HydrophobicContact CE-CE1 4.34Å; M9-F11 HydrophobicContact CE-CE2 3.54Å; M9-F11 HydrophobicContact CE-CZ 3.53Å; F11-L34 HydrophobicContact CD1-CD2 3.52Å; F11-L34 HydrophobicContact CE1-CD2 3.34Å; F11-L34 HydrophobicContact CG-CD2 4.42Å; F11-L34 HydrophobicContact CZ-CD2 4.12Å; F11-L65 HydrophobicContact CE1-CD1 3.97Å; F11-L65 HydrophobicContact CE1-CD2 4.37Å; F11-L65 HydrophobicContact CZ-CD1 3.61Å; F11-F77 HydrophobicContact CE2-CD1 4.26Å
12L83.4Confident66.8Low28 Ų2890 Ų9015%0.14746%0.455CS..EExtended strand (participates in β ladder)trans-108.4128.5173.1-54.3176.1000108.6T10 D16 L19 V33 D35T10-L12 HydrophobicContact CG2-CD2 3.89Å; L12-D16 WeakPolarHBondContact CA-OD2 3.49Å; L12-L19 HydrophobicContact CB-CD1 3.36Å; L12-L19 HydrophobicContact CD1-CD1 3.72Å; L12-L19 HydrophobicContact CG-CD1 4.17Å; L12-V33 HydrophobicContact CB-CB 4.26Å; L12-V33 PolarHBondContact N-O 3.47Å; L12-V33 PolarHBondContact O-N 3.38Å; L12-V33 VanDerWaalsContact O-N 3.15Å; L12-D35 HydrophobicContact CD1-CB 3.73Å; L12-D35 HydrophobicContact CG-CB 4.2Å
13K79Confident69.4Low132 Ų13293.9 Ų93.957%0.57447%0.466SS*.  trans-81149.6173-68.4-171.9176.6-1720109.4S15 D16K13-S15 PolarHBondContact O-N 2.79Å; K13-D16 PolarHBondContact N-OD2 2.97Å; K13-D16 WeakPolarHBondContact O-CB 3.39Å; K13-D16 PolarHBondContact O-N 2.98Å
14P69Low72.2Confident63 Ų6387.1 Ų87.141%0.40944%0.437SS..THydrogen-bonded Turntrans-53.4-25.5174.1-26.133.4000114.2D16 N30P14-D16 VanDerWaalsContact C-N 3.35Å; P14-N30 HydrophobicContact CG-CB 4.34Å; P14-N30 VanDerWaalsContact CG-O 3.24Å; P14-N30 WeakPolarHBondContact CG-O 3.31Å
15S67.7Low74.7Confident99 Ų9986.2 Ų86.269%0.69243%0.433SS*.THydrogen-bonded Turntrans-79.5-8.3177.956.90000115.1K13 K17K13-S15 PolarHBondContact O-N 2.79Å; S15-K17 PolarHBondContact O-N 2.84Å
16D70.1Confident76.7Confident62 Ų6289.3 Ų89.333%0.33244%0.444SS..  trans-73125-173.4-68.3-18.8000111L12 K13 P14 N18 L19L12-D16 WeakPolarHBondContact CA-OD2 3.49Å; K13-D16 PolarHBondContact N-OD2 2.97Å; K13-D16 WeakPolarHBondContact O-CB 3.39Å; K13-D16 PolarHBondContact O-N 2.98Å; P14-D16 VanDerWaalsContact C-N 3.35Å; D16-N18 PolarHBondContact O-N 3.28Å; D16-L19 WeakPolarHBondContact O-CB 3.41Å; D16-L19 PolarHBondContact O-N 3.16Å; D16-L19 VanDerWaalsContact O-N 3.09Å
17K54.5Low78.6Confident210 Ų21085.4 Ų85.491%0.91342%0.423SS*.THydrogen-bonded Turntrans-60.1-14.3-175.4-69.3-175.2177.2-178.30115.2S15S15-K17 PolarHBondContact O-N 2.84Å
18N54.9Low79.8Confident150 Ų15074.9 Ų74.980%0.80238%0.384SS*.THydrogen-bonded Turntrans-1058.7-178.1-68.9-18.1000113.2D16D16-N18 PolarHBondContact O-N 3.28Å
19L62.2Low80.2Confident32 Ų3277 Ų7717%0.16840%0.399CS..SBendtrans-72.5137.6174.6-152.386.1000110L12 D16 V33L12-L19 HydrophobicContact CB-CD1 3.36Å; L12-L19 HydrophobicContact CD1-CD1 3.72Å; L12-L19 HydrophobicContact CG-CD1 4.17Å; D16-L19 WeakPolarHBondContact O-CB 3.41Å; D16-L19 PolarHBondContact O-N 3.16Å; D16-L19 VanDerWaalsContact O-N 3.09Å; L19-V33 HydrophobicContact CD1-CB 4.03Å; L19-V33 HydrophobicContact CD1-CG1 4.28Å; L19-V33 HydrophobicContact CD1-CG2 4.03Å; L19-V33 HydrophobicContact CD2-CG2 4.17Å
20D61.7Low80.5Confident60 Ų6077.8 Ų77.832%0.32140%0.403SS..  trans-59.3152.7168.3-73.9-34.8000110.6A22 T384 R415D20-A22 PolarHBondContact O-N 3.43Å; D20-T384 HydrophobicContact CB-CG2 3.99Å; D20-T384 VanDerWaalsContact CG-CG2 3.41Å; D20-T384 VanDerWaalsContact OD2-CG2 3.25Å; D20-T384 WeakPolarHBondContact OD2-CG2 3.47Å; D20-T384 PolarHBondContact OD2-OG1 3.14Å; D20-T384 VanDerWaalsContact OD2-OG1 3.05Å; D20-R415 IonicContact OD1-NH1 3.86Å; D20-R415 IonicContact OD2-CZ 2.73Å; D20-R415 IonicContact OD2-NH1 3.58Å; D20-R415 PolarHBondContact OD2-NH1 3.3Å; D20-R415 IonicContact OD2-NH2 3.26Å
21I73Confident80.6Confident130 Ų13076.3 Ų76.367%0.66739%0.39SS*.  trans-73.634.8-171.1-43.3165.1000111.8K23 E382I21-K23 PolarHBondContact O-N 2.95Å; I21-E382 VanDerWaalsContact O-CB 3.32Å; I21-E382 WeakPolarHBondContact O-CB 3.49Å
22A90.7Very high80.8Confident16 Ų1673.6 Ų73.613%0.13238%0.38CS..  trans-57.7116.3174.500000108.7D20 F24 V380 T381 L383 Y417D20-A22 PolarHBondContact O-N 3.43Å; A22-F24 HydrophobicContact CB-CE2 3.84Å; A22-F24 VanDerWaalsContact O-CD2 3.32Å; A22-F24 WeakPolarHBondContact O-CD2 2.9Å; A22-V380 HydrophobicContact CB-CG1 4.38Å; A22-T381 WeakPolarHBondContact CA-O 3.24Å; A22-L383 HydrophobicContact CB-CD2 3.71Å; A22-L383 HydrophobicContact CB-CG 4.49Å; A22-Y417 HydrophobicContact CB-CE1 3.92Å
23K92.8Very high81.2Confident127 Ų12772.3 Ų72.355%0.55237%0.373SS*.EExtended strand (participates in β ladder)trans-98.5113.9-174.6-178.7-179179.3-1780109.6I21 V380 T381I21-K23 PolarHBondContact O-N 2.95Å; K23-V380 WeakPolarHBondContact O-CA 3.28Å; K23-T381 PolarHBondContact N-O 2.88Å; K23-T381 PolarHBondContact O-N 2.8Å; K23-T381 PolarHBondContact O-OG1 2.94Å
24F94.7Very high81.8Confident40 Ų4066 Ų6618%0.17535%0.345CS..EExtended strand (participates in β ladder)trans-91.2138.1178.8-66.7-101.8000110.3A22 I28 N30 V380 F410 Y417 A419A22-F24 HydrophobicContact CB-CE2 3.84Å; A22-F24 VanDerWaalsContact O-CD2 3.32Å; A22-F24 WeakPolarHBondContact O-CD2 2.9Å; F24-I28 HydrophobicContact CB-CB 4.48Å; F24-I28 WeakPolarHBondContact CB-O 2.82Å; F24-I28 HydrophobicContact CD1-CB 4.29Å; F24-I28 HydrophobicContact CD1-CG2 3.68Å; F24-I28 HydrophobicContact CE1-CG2 4.37Å; F24-N30 HydrophobicContact CD1-CB 4.16Å; F24-N30 HydrophobicContact CD2-CB 3.95Å; F24-N30 HydrophobicContact CE1-CB 3.96Å; F24-N30 HydrophobicContact CE2-CB 3.76Å; F24-N30 HydrophobicContact CG-CB 4.17Å; F24-N30 HydrophobicContact CZ-CB 3.76Å; F24-V380 HydrophobicContact CD1-CB 4.39Å; F24-V380 HydrophobicContact CD1-CG1 4.01Å; F24-V380 HydrophobicContact CD1-CG2 3.5Å; F24-V380 HydrophobicContact CD2-CG1 4.26Å; F24-V380 HydrophobicContact CE1-CB 4.39Å; F24-V380 HydrophobicContact CE1-CG1 3.81Å; F24-V380 HydrophobicContact CE1-CG2 3.61Å; F24-V380 HydrophobicContact CE2-CG1 4.05Å; F24-V380 HydrophobicContact CG-CG1 4.23Å; F24-V380 HydrophobicContact CG-CG2 4.28Å; F24-V380 HydrophobicContact CZ-CG1 3.82Å; F24-V380 HydrophobicContact CZ-CG2 4.45Å; F24-F410 HydrophobicContact CE1-CE1 4.36Å; F24-F410 HydrophobicContact CE1-CZ 4.34Å; F24-F410 HydrophobicContact CZ-CZ 4.39Å; F24-Y417 HydrophobicContact CE2-CD1 4.39Å; F24-Y417 AromaticContact CZ-CD1 3.76Å; F24-Y417 HydrophobicContact CZ-CD1 3.76Å; F24-Y417 HydrophobicContact CZ-CE1 4.35Å; F24-Y417 HydrophobicContact CZ-CG 4.44Å; F24-A419 HydrophobicContact CE1-CB 4.1Å
25S95.4Very high82.9Confident31 Ų3164.2 Ų64.222%0.21733%0.332CS..  trans-59.9152.7169-62.70000110.4N27 I28 S379S25-N27 VanDerWaalsContact CB-OD1 3.24Å; S25-N27 WeakPolarHBondContact CB-OD1 3.37Å; S25-N27 PolarHBondContact O-N 2.9Å; S25-I28 PolarHBondContact O-N 2.72Å; S25-S379 WeakPolarHBondContact CB-O 3.31Å; S25-S379 PolarHBondContact N-O 3.03Å; S25-S379 PolarHBondContact OG-N 2.8Å; S25-S379 PolarHBondContact OG-O 2.83Å; S25-S379 PolarHBondContact OG-OG 2.85Å
26E93.6Very high84.2Confident161 Ų16159.7 Ų59.775%0.75230%0.3SS*.THydrogen-bonded Turntrans-61-10.7-173.759.6163.6167.900116K424E26-K424 VanDerWaalsContact CD-NZ 3.29Å; E26-K424 VanDerWaalsContact O-CE 3.24Å; E26-K424 WeakPolarHBondContact O-CE 3.38Å; E26-K424 PolarHBondContact O-NZ 3.43Å; E26-K424 VanDerWaalsContact O-NZ 3.14Å; E26-K424 IonicContact OE2-NZ 2.86Å; E26-K424 PolarHBondContact OE2-NZ 3Å
27N93.7Very high85.2Confident22 Ų2259.1 Ų59.112%0.11831%0.309CS..THydrogen-bonded Turntrans-110.37178.660.8-13.3000112.6S25 V377 Y421 E422 K424S25-N27 VanDerWaalsContact CB-OD1 3.24Å; S25-N27 WeakPolarHBondContact CB-OD1 3.37Å; S25-N27 PolarHBondContact O-N 2.9Å; N27-V377 PolarHBondContact ND2-O 3Å; N27-Y421 WeakPolarHBondContact ND2-CE2 3.48Å; N27-Y421 WeakPolarHBondContact O-CA 3.26Å; N27-E422 WeakPolarHBondContact CB-O 3.4Å; N27-E422 PolarHBondContact O-N 2.89Å; N27-K424 HydrophobicContact CB-CD 4.43Å; N27-K424 HydrophobicContact CB-CG 4.21Å
28I95.5Very high87Confident7 Ų756.2 Ų56.24%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-118.7111.7171.7-54.2174.5000108.2F24 S25 L368 V380 F408 A419 Q420 Y421F24-I28 HydrophobicContact CB-CB 4.48Å; F24-I28 WeakPolarHBondContact CB-O 2.82Å; F24-I28 HydrophobicContact CD1-CB 4.29Å; F24-I28 HydrophobicContact CD1-CG2 3.68Å; F24-I28 HydrophobicContact CE1-CG2 4.37Å; S25-I28 PolarHBondContact O-N 2.72Å; I28-L368 HydrophobicContact CD1-CD1 3.86Å; I28-L368 HydrophobicContact CD1-CG 4.28Å; I28-L368 HydrophobicContact CG1-CD1 4.27Å; I28-V380 HydrophobicContact CD1-CG2 4.21Å; I28-F408 HydrophobicContact CG2-CE1 4.37Å; I28-F408 HydrophobicContact CG2-CZ 3.93Å; I28-A419 HydrophobicContact CG2-CB 3.93Å; I28-Q420 CarbonylContact C-O 3.51Å; I28-Q420 WeakPolarHBondContact CA-O 3.48Å; I28-Y421 HydrophobicContact CG1-CD2 3.96Å
29T93.2Very high89Confident73 Ų7349.8 Ų49.845%0.44827%0.27SS..EExtended strand (participates in β ladder)trans-88.9120175.7-58.90000109.4Q31 A419 Q420T29-Q31 PolarHBondContact O-N 2.87Å; T29-A419 CarbonylContact O-C 3.56Å; T29-A419 VanDerWaalsContact O-CA 3.23Å; T29-A419 WeakPolarHBondContact O-CA 3.14Å; T29-Q420 PolarHBondContact N-O 2.93Å; T29-Q420 PolarHBondContact O-N 3.06Å
30N91.7Very high90.7Very high25 Ų2551.3 Ų51.313%0.13428%0.278CS..EExtended strand (participates in β ladder)trans-73.5115.5167.6-177.311.5000109P14 F24 I418P14-N30 HydrophobicContact CG-CB 4.34Å; P14-N30 VanDerWaalsContact CG-O 3.24Å; P14-N30 WeakPolarHBondContact CG-O 3.31Å; F24-N30 HydrophobicContact CD1-CB 4.16Å; F24-N30 HydrophobicContact CD2-CB 3.95Å; F24-N30 HydrophobicContact CE1-CB 3.96Å; F24-N30 HydrophobicContact CE2-CB 3.76Å; F24-N30 HydrophobicContact CG-CB 4.17Å; F24-N30 HydrophobicContact CZ-CB 3.76Å; N30-I418 PolarHBondContact OD1-O 2.88Å
31Q90.3Very high92.4Very high51 Ų5148.5 Ų48.524%0.23826%0.263CS..EExtended strand (participates in β ladder)trans-90-52.1-178.1-65.5179.3-35.900111T29 I418 Q420T29-Q31 PolarHBondContact O-N 2.87Å; Q31-I418 WeakPolarHBondContact CA-O 3.37Å; Q31-I418 HydrophobicContact CB-CG2 4.35Å; Q31-I418 WeakPolarHBondContact CB-O 3.11Å; Q31-I418 PolarHBondContact N-O 3.06Å; Q31-Q420 HydrophobicContact CG-CB 4.4Å
32N88.9Confident93.6Very high27 Ų2745.3 Ų45.314%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-149.8151.6-177.6-80-47.3000111.4E69 I418N32-E69 PolarHBondContact ND2-OE1 3.32Å; N32-I418 HydrophobicContact CB-CB 4.29Å; N32-I418 HydrophobicContact CB-CD1 4.26Å; N32-I418 PolarHBondContact N-O 2.6Å; N32-I418 PolarHBondContact O-N 3.14Å
33V91.8Very high94Very high0 Ų044.5 Ų44.50%024%0.239CC..EExtended strand (participates in β ladder)trans-123.7125.1171.3-174.60000109.6L12 L19 R415 Y417L12-V33 HydrophobicContact CB-CB 4.26Å; L12-V33 PolarHBondContact N-O 3.47Å; L12-V33 PolarHBondContact O-N 3.38Å; L12-V33 VanDerWaalsContact O-N 3.15Å; L19-V33 HydrophobicContact CD1-CB 4.03Å; L19-V33 HydrophobicContact CD1-CG1 4.28Å; L19-V33 HydrophobicContact CD1-CG2 4.03Å; L19-V33 HydrophobicContact CD2-CG2 4.17Å; V33-R415 HydrophobicContact CG1-CB 4.28Å; V33-R415 HydrophobicContact CG1-CG 4.29Å; V33-Y417 HydrophobicContact CB-CD1 4.42Å; V33-Y417 HydrophobicContact CG1-CD1 4.11Å; V33-Y417 HydrophobicContact CG1-CE1 3.97Å; V33-Y417 HydrophobicContact CG2-CD1 3.54Å; V33-Y417 HydrophobicContact CG2-CE1 3.78Å; V33-Y417 HydrophobicContact CG2-CG 4.47Å
34L92.7Very high94.3Very high0 Ų038.5 Ų38.50%021%0.213CC..EExtended strand (participates in β ladder)trans-95.4120.8172.6-47.3177000108M9 F11 F36 I55 L65 R415 V416M9-L34 HydrophobicContact CE-CD2 4.37Å; M9-L34 HydrophobicContact CG-CB 4.19Å; M9-L34 HydrophobicContact SD-CB 3.9Å; M9-L34 HydrophobicContact SD-CD1 4Å; M9-L34 HydrophobicContact SD-CD2 3.93Å; M9-L34 HydrophobicContact SD-CG 4.15Å; F11-L34 HydrophobicContact CD1-CD2 3.52Å; F11-L34 HydrophobicContact CE1-CD2 3.34Å; F11-L34 HydrophobicContact CG-CD2 4.42Å; F11-L34 HydrophobicContact CZ-CD2 4.12Å; L34-F36 HydrophobicContact CB-CE2 3.97Å; L34-F36 HydrophobicContact CB-CZ 4.05Å; L34-F36 HydrophobicContact CD1-CZ 4.32Å; L34-I55 HydrophobicContact CD1-CD1 3.52Å; L34-L65 HydrophobicContact CD1-CD2 3.4Å; L34-L65 VanDerWaalsContact CD1-CD2 3.4Å; L34-L65 HydrophobicContact CD2-CD2 3.75Å; L34-L65 HydrophobicContact CG-CD2 4.17Å; L34-R415 CarbonylContact O-C 3.59Å; L34-R415 WeakPolarHBondContact O-CA 3.42Å; L34-V416 HydrophobicContact CB-CB 4.23Å; L34-V416 HydrophobicContact CD1-CB 4.12Å; L34-V416 HydrophobicContact CD1-CG1 4.2Å; L34-V416 HydrophobicContact CG-CB 4.43Å; L34-V416 PolarHBondContact N-O 2.9Å; L34-V416 PolarHBondContact O-N 3.19Å
35D92.5Very high94.4Very high25 Ų2537.6 Ų37.613%0.13421%0.208CC..EExtended strand (participates in β ladder)trans-110.1120.4176.8-165.3-35.4000110.2M9 T10 L12 G37 R415M9-D35 CarbonylContact C-O 3.58Å; M9-D35 WeakPolarHBondContact CA-O 3Å; T10-D35 PolarHBondContact N-O 3.22Å; T10-D35 PolarHBondContact O-N 2.88Å; L12-D35 HydrophobicContact CD1-CB 3.73Å; L12-D35 HydrophobicContact CG-CB 4.2Å; D35-G37 WeakPolarHBondContact OD1-CA 3.48Å; D35-G37 PolarHBondContact OD1-N 3.09Å; D35-R415 HydrophobicContact CB-CG 4.29Å; D35-R415 IonicContact OD2-CZ 3.32Å; D35-R415 IonicContact OD2-NE 3.52Å; D35-R415 PolarHBondContact OD2-NE 3.03Å; D35-R415 IonicContact OD2-NH2 3.19Å; D35-R415 PolarHBondContact OD2-NH2 3.31Å; D35-R415 VanDerWaalsContact OD2-NH2 3.08Å
36F94.2Very high94.4Very high5 Ų537.4 Ų37.42%0.02221%0.205CC..  trans-97.717.5-179.3-61.1-75.4000113L8 M9 L34 N38 V39 A41 I55 L57 V63 T414 V416L8-F36 HydrophobicContact CG-CD1 4.48Å; L8-F36 WeakPolarHBondContact O-CA 3.38Å; M9-F36 HydrophobicContact CB-CD1 3.9Å; M9-F36 HydrophobicContact CB-CE1 3.76Å; M9-F36 HydrophobicContact CG-CD1 3.94Å; M9-F36 HydrophobicContact CG-CE1 3.53Å; M9-F36 HydrophobicContact CG-CZ 4.06Å; M9-F36 HydrophobicContact SD-CD1 4.44Å; M9-F36 HydrophobicContact SD-CE1 3.45Å; M9-F36 WeakPolarHBondContact SD-CE1 3.44Å; M9-F36 HydrophobicContact SD-CZ 3.63Å; L34-F36 HydrophobicContact CB-CE2 3.97Å; L34-F36 HydrophobicContact CB-CZ 4.05Å; L34-F36 HydrophobicContact CD1-CZ 4.32Å; F36-N38 PolarHBondContact O-N 3.26Å; F36-V39 HydrophobicContact CB-CB 4.33Å; F36-V39 WeakPolarHBondContact CB-O 3.24Å; F36-V39 PolarHBondContact O-N 3.47Å; F36-V39 VanDerWaalsContact O-N 3.16Å; F36-A41 HydrophobicContact CD2-CB 4.36Å; F36-A41 HydrophobicContact CE2-CB 4.37Å; F36-I55 HydrophobicContact CE2-CG2 4.35Å; F36-I55 HydrophobicContact CZ-CD1 4.05Å; F36-I55 HydrophobicContact CZ-CG2 4.32Å; F36-L57 HydrophobicContact CD1-CD1 3.84Å; F36-L57 HydrophobicContact CD1-CD2 4.19Å; F36-L57 HydrophobicContact CD2-CD2 4.05Å; F36-L57 HydrophobicContact CE1-CD1 4.15Å; F36-L57 HydrophobicContact CE1-CD2 4.29Å; F36-L57 HydrophobicContact CE2-CD2 4.16Å; F36-L57 HydrophobicContact CG-CD1 4.32Å; F36-L57 HydrophobicContact CG-CD2 4.07Å; F36-L57 HydrophobicContact CZ-CD2 4.27Å; F36-V63 HydrophobicContact CE1-CG2 3.93Å; F36-V63 HydrophobicContact CZ-CG2 4.49Å; F36-T414 WeakPolarHBondContact CB-O 3.39Å; F36-T414 WeakPolarHBondContact CD2-O 3.46Å; F36-T414 PolarHBondContact N-O 3.05Å; F36-V416 HydrophobicContact CE2-CB 4.3Å; F36-V416 HydrophobicContact CE2-CG2 3.89Å
37G91.4Very high94.4Very high50 Ų5029.8 Ų29.852%0.51517%0.169SC..THydrogen-bonded Turntrans66.2-102.6177.800000111.6D35 T414D35-G37 WeakPolarHBondContact OD1-CA 3.48Å; D35-G37 PolarHBondContact OD1-N 3.09Å; G37-T414 WeakPolarHBondContact O-CB 3.36Å; G37-T414 WeakPolarHBondContact O-CG2 3.44Å; G37-T414 PolarHBondContact O-OG1 3.47Å
38N92.7Very high94.2Very high148 Ų14832.1 Ų32.179%0.79118%0.182SC*.THydrogen-bonded Turntrans-1077.5-17869.1-29.3000113.9F36F36-N38 PolarHBondContact O-N 3.26Å
39V96.6Very high93.7Very high16 Ų1633.6 Ų33.610%0.09719%0.19CC..SBendtrans-104.8127.7-179.6-173.50000109.3F36 L57 S58 N59 T414F36-V39 HydrophobicContact CB-CB 4.33Å; F36-V39 WeakPolarHBondContact CB-O 3.24Å; F36-V39 PolarHBondContact O-N 3.47Å; F36-V39 VanDerWaalsContact O-N 3.16Å; V39-L57 HydrophobicContact CG1-CB 3.77Å; V39-L57 HydrophobicContact CG1-CD1 4.18Å; V39-L57 HydrophobicContact CG1-CG 4.44Å; V39-S58 WeakPolarHBondContact CG1-OG 3.33Å; V39-N59 HydrophobicContact CG1-CB 4.02Å; V39-T414 WeakPolarHBondContact O-CA 3.06Å; V39-T414 WeakPolarHBondContact O-CB 3.46Å
40N97.6Very high93.6Very high64 Ų6431.8 Ų31.834%0.34218%0.177SC..  trans-77.5139.1179.4-72.4-29.1000111.1M42 L57 S58 G413 T414N40-M42 HydrophobicContact CB-SD 4.32Å; N40-L57 CarbonylContact O-C 3.57Å; N40-L57 WeakPolarHBondContact O-CA 3.35Å; N40-S58 PolarHBondContact N-OG 3.19Å; N40-S58 PolarHBondContact O-N 3.28Å; N40-G413 CarbonylContact C-O 3.51Å; N40-G413 WeakPolarHBondContact CA-O 3.43Å; N40-T414 VanDerWaalsContact OD1-CG2 3.31Å; N40-T414 WeakPolarHBondContact OD1-CG2 3.38Å; N40-T414 PolarHBondContact OD1-N 3.29Å
41A98.1Very high93.5Very high0 Ų035.6 Ų35.60%019%0.193CC..EExtended strand (participates in β ladder)trans-80.4118.1164.800000108.9F36 I55 L57 A411 G413 V416F36-A41 HydrophobicContact CD2-CB 4.36Å; F36-A41 HydrophobicContact CE2-CB 4.37Å; A41-I55 HydrophobicContact CB-CG2 4.1Å; A41-L57 HydrophobicContact CB-CD2 4.1Å; A41-A411 HydrophobicContact CB-CB 3.74Å; A41-G413 PolarHBondContact N-O 3.19Å; A41-V416 HydrophobicContact CB-CG2 3.5Å; A41-V416 VanDerWaalsContact CB-CG2 3.5Å
42M98.1Very high93.6Very high63 Ų6335.1 Ų35.131%0.3119%0.189SC..EExtended strand (participates in β ladder)trans-93.7-43.6-173.8-64.1-60.7-64.300111.6N40 G56 P88 C89N40-M42 HydrophobicContact CB-SD 4.32Å; M42-G56 WeakPolarHBondContact CB-O 3.49Å; M42-G56 PolarHBondContact N-O 3.33Å; M42-P88 HydrophobicContact CE-CB 4.44Å; M42-P88 HydrophobicContact CG-CB 4.29Å; M42-C89 VanDerWaalsContact CB-O 3.3Å; M42-C89 WeakPolarHBondContact CB-O 3.3Å
43V98.6Very high93.9Very high0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-142.8140.6-17461.50000110.6R45 I55 G56 L92V43-R45 HydrophobicContact CG2-CG 4.39Å; V43-I55 CarbonylContact O-C 3.48Å; V43-I55 VanDerWaalsContact O-CA 3.31Å; V43-I55 WeakPolarHBondContact O-CA 3.29Å; V43-G56 PolarHBondContact N-O 3.39Å; V43-G56 PolarHBondContact O-N 3.16Å; V43-L92 HydrophobicContact CG1-CD2 3.64Å; V43-L92 HydrophobicContact CG1-CG 3.81Å; V43-L92 HydrophobicContact CG2-CG 4.44Å
44V98.5Very high94.1Very high0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-124.7133.1173.5-172.30000108.7W53 I54 I55 S389 A391 A409 A411 V416V44-W53 HydrophobicContact CG1-CE3 4.27Å; V44-I54 CarbonylContact C-O 3.57Å; V44-I54 WeakPolarHBondContact CA-O 3.48Å; V44-I55 HydrophobicContact CG1-CG1 4.31Å; V44-I55 HydrophobicContact CG2-CG1 4.41Å; V44-S389 PolarHBondContact N-OG 2.57Å; V44-S389 PolarHBondContact O-OG 3.49Å; V44-A391 HydrophobicContact CG1-CB 4.21Å; V44-A409 HydrophobicContact CG1-CB 3.95Å; V44-A411 HydrophobicContact CG2-CB 3.75Å; V44-V416 HydrophobicContact CG2-CG1 4.25Å; V44-V416 HydrophobicContact CG2-CG2 3.97Å
45R97.6Very high94.4Very high21 Ų2133.9 Ų33.98%0.07918%0.182CC..EExtended strand (participates in β ladder)trans-132.1165.2171.9-58.9-64.1174-122.411.5110.2V43 W53 I54 D91 L92 S261 D262 S389V43-R45 HydrophobicContact CG2-CG 4.39Å; R45-W53 WeakPolarHBondContact O-CA 3.4Å; R45-I54 HydrophobicContact CB-CB 4.34Å; R45-I54 PolarHBondContact N-O 3.29Å; R45-I54 PolarHBondContact O-N 2.8Å; R45-D91 IonicContact CZ-OD1 3.97Å; R45-D91 IonicContact NE-OD1 2.87Å; R45-D91 IonicContact NH2-OD1 2.83Å; R45-D91 PolarHBondContact NH2-OD1 3.28Å; R45-L92 HydrophobicContact CB-CD1 3.86Å; R45-L92 WeakPolarHBondContact CD-O 3.34Å; R45-L92 HydrophobicContact CG-CD1 3.46Å; R45-L92 VanDerWaalsContact CG-CD1 3.46Å; R45-L92 HydrophobicContact CG-CG 4.17Å; R45-L92 VanDerWaalsContact CG-O 3.24Å; R45-L92 WeakPolarHBondContact CG-O 3.13Å; R45-L92 PolarHBondContact NE-O 3.45Å; R45-S261 PolarHBondContact NH2-OG 3.36Å; R45-S261 VanDerWaalsContact NH2-OG 3.12Å; R45-D262 IonicContact CZ-OD1 3.4Å; R45-D262 VanDerWaalsContact NH1-CG 3.29Å; R45-D262 IonicContact NH1-OD1 3.08Å; R45-D262 PolarHBondContact NH1-OD1 3.15Å; R45-D262 IonicContact NH1-OD2 3.64Å; R45-D262 PolarHBondContact NH1-OD2 3.12Å; R45-D262 IonicContact NH2-OD1 3.83Å; R45-D262 PolarHBondContact NH2-OD1 3.26Å; R45-S389 PolarHBondContact NH1-OG 2.92Å
46I95.2Very high94.7Very high28 Ų2832.7 Ų32.714%0.14418%0.176CC..EExtended strand (participates in β ladder)trans-109143.3167.8-168.570.1000108.8N50 Y52 W53 T67 P94 F392 I393I46-N50 HydrophobicContact CG1-CB 4.36Å; I46-N50 WeakPolarHBondContact CG1-OD1 3.48Å; I46-Y52 CarbonylContact C-O 3.47Å; I46-Y52 WeakPolarHBondContact CD1-O 3.35Å; I46-W53 HydrophobicContact CB-CE3 4.26Å; I46-W53 HydrophobicContact CB-CZ3 4.06Å; I46-W53 HydrophobicContact CD1-CD2 3.92Å; I46-W53 HydrophobicContact CD1-CE3 3.62Å; I46-W53 HydrophobicContact CD1-CH2 4.14Å; I46-W53 HydrophobicContact CD1-CZ2 4.41Å; I46-W53 HydrophobicContact CD1-CZ3 3.74Å; I46-W53 HydrophobicContact CG1-CZ3 4.36Å; I46-T67 HydrophobicContact CD1-CG2 3.58Å; I46-P94 WeakPolarHBondContact O-CG 3.07Å; I46-F392 WeakPolarHBondContact CG2-O 3.28Å; I46-I393 HydrophobicContact CD1-CD1 4.43Å; I46-I393 HydrophobicContact CD1-CG1 3.81Å; I46-I393 HydrophobicContact CG1-CG1 4.2Å
47S92.6Very high94.9Very high0 Ų032.5 Ų32.50%018%0.175CC..  trans-63.315316960.30000111.4D49 N50 K51 Y52 Y123S47-D49 VanDerWaalsContact CB-OD1 3.3Å; S47-D49 WeakPolarHBondContact CB-OD1 3.4Å; S47-D49 PolarHBondContact O-N 2.75Å; S47-D49 PolarHBondContact OG-OD1 2.87Å; S47-N50 WeakPolarHBondContact O-CA 3.43Å; S47-N50 PolarHBondContact O-N 2.75Å; S47-K51 PolarHBondContact OG-N 3.38Å; S47-K51 VanDerWaalsContact OG-N 3.14Å; S47-Y52 PolarHBondContact N-O 3.46Å; S47-Y52 PolarHBondContact OG-N 3.44Å; S47-Y123 WeakPolarHBondContact CB-OH 3.16Å
48N89.4Confident95.2Very high71 Ų7131.6 Ų31.638%0.3816%0.161SC..THydrogen-bonded Turntrans-56.7-27.6-178.8-61.4-30.5000113.7N50 I95N48-N50 VanDerWaalsContact C-N 3.35Å; N48-I95 PolarHBondContact ND2-O 2.86Å
49D87Confident95.4Very high38 Ų3826.8 Ų26.820%0.20314%0.135CC..THydrogen-bonded Turntrans-90.96178.269.2-13.8000113.8S47 K51 H107S47-D49 VanDerWaalsContact CB-OD1 3.3Å; S47-D49 WeakPolarHBondContact CB-OD1 3.4Å; S47-D49 PolarHBondContact O-N 2.75Å; S47-D49 PolarHBondContact OG-OD1 2.87Å; D49-K51 HydrophobicContact CB-CG 4.4Å; D49-K51 PolarHBondContact O-N 2.69Å; D49-K51 PolarHBondContact OD1-N 2.89Å; D49-K51 WeakPolarHBondContact OD2-CD 3.49Å; D49-K51 WeakPolarHBondContact OD2-CE 3.38Å; D49-K51 WeakPolarHBondContact OD2-CG 3.47Å; D49-K51 IonicContact OD2-NZ 3.49Å; D49-K51 PolarHBondContact OD2-NZ 3.13Å; D49-H107 IonicContact OD2-CE1 3.37Å
50N89.9Confident95.5Very high36 Ų3626 Ų2619%0.19313%0.131CC..SBendtrans59.516.8-177.5-65.6-29.8000115.6I46 S47 N48 T67 I393 E394I46-N50 HydrophobicContact CG1-CB 4.36Å; I46-N50 WeakPolarHBondContact CG1-OD1 3.48Å; S47-N50 WeakPolarHBondContact O-CA 3.43Å; S47-N50 PolarHBondContact O-N 2.75Å; N48-N50 VanDerWaalsContact C-N 3.35Å; N50-T67 VanDerWaalsContact O-CG2 3.28Å; N50-T67 WeakPolarHBondContact O-CG2 3.38Å; N50-T67 PolarHBondContact O-OG1 3.26Å; N50-I393 HydrophobicContact CB-CG2 3.99Å; N50-E394 PolarHBondContact ND2-O 2.94Å
51K89.7Confident95.4Very high104 Ų10423.4 Ų23.445%0.45212%0.117SC..  trans-90.8-18.8-177-65.3-171.8-164.9151.90114.8S47 D49 S66 T67S47-K51 PolarHBondContact OG-N 3.38Å; S47-K51 VanDerWaalsContact OG-N 3.14Å; D49-K51 HydrophobicContact CB-CG 4.4Å; D49-K51 PolarHBondContact O-N 2.69Å; D49-K51 PolarHBondContact OD1-N 2.89Å; D49-K51 WeakPolarHBondContact OD2-CD 3.49Å; D49-K51 WeakPolarHBondContact OD2-CE 3.38Å; D49-K51 WeakPolarHBondContact OD2-CG 3.47Å; D49-K51 IonicContact OD2-NZ 3.49Å; D49-K51 PolarHBondContact OD2-NZ 3.13Å; K51-S66 CarbonylContact O-C 3.48Å; K51-S66 WeakPolarHBondContact O-CA 3.22Å; K51-T67 WeakPolarHBondContact CA-OG1 3.43Å; K51-T67 PolarHBondContact O-N 2.88Å; K51-T67 PolarHBondContact O-OG1 2.98Å
52Y92.4Very high95.4Very high41 Ų4123.4 Ų23.416%0.16112%0.117CC..EExtended strand (participates in β ladder)trans-136.6127.1-174.7-56.2-81.8000112.5I46 S47 L65 Y123 G125 A126I46-Y52 CarbonylContact C-O 3.47Å; I46-Y52 WeakPolarHBondContact CD1-O 3.35Å; S47-Y52 PolarHBondContact N-O 3.46Å; S47-Y52 PolarHBondContact OG-N 3.44Å; Y52-L65 CarbonylContact C-O 3.55Å; Y52-L65 WeakPolarHBondContact CA-O 3.33Å; Y52-Y123 HydrophobicContact CD2-CE2 4.01Å; Y52-Y123 HydrophobicContact CE2-CE2 4.47Å; Y52-G125 WeakPolarHBondContact OH-CA 3.36Å; Y52-A126 HydrophobicContact CD1-CB 4.47Å; Y52-A126 HydrophobicContact CE1-CB 4.12Å
53W95.3Very high95.2Very high2 Ų220.4 Ų20.41%0.00810%0.102CC..EExtended strand (participates in β ladder)trans-71.8133.1157.7-60.8115.8000109.1V44 R45 I46 L64 L65 T67 A391 I393 A409V44-W53 HydrophobicContact CG1-CE3 4.27Å; R45-W53 WeakPolarHBondContact O-CA 3.4Å; I46-W53 HydrophobicContact CB-CE3 4.26Å; I46-W53 HydrophobicContact CB-CZ3 4.06Å; I46-W53 HydrophobicContact CD1-CD2 3.92Å; I46-W53 HydrophobicContact CD1-CE3 3.62Å; I46-W53 HydrophobicContact CD1-CH2 4.14Å; I46-W53 HydrophobicContact CD1-CZ2 4.41Å; I46-W53 HydrophobicContact CD1-CZ3 3.74Å; I46-W53 HydrophobicContact CG1-CZ3 4.36Å; W53-L64 WeakPolarHBondContact O-CA 3.32Å; W53-L65 HydrophobicContact CB-CB 4.31Å; W53-L65 PolarHBondContact N-O 2.91Å; W53-L65 PolarHBondContact O-N 3.34Å; W53-T67 HydrophobicContact CD2-CG2 4.24Å; W53-T67 HydrophobicContact CG-CG2 4.2Å; W53-T67 HydrophobicContact CZ2-CG2 4.5Å; W53-A391 HydrophobicContact CE3-CB 4.48Å; W53-A391 HydrophobicContact CZ3-CB 3.97Å; W53-I393 HydrophobicContact CH2-CD1 4.14Å; W53-I393 HydrophobicContact CH2-CG1 3.76Å; W53-I393 HydrophobicContact CZ2-CD1 3.72Å; W53-I393 HydrophobicContact CZ2-CG1 3.88Å; W53-A409 HydrophobicContact CD2-CB 3.87Å; W53-A409 HydrophobicContact CE3-CB 3.72Å; W53-A409 HydrophobicContact CH2-CB 3.87Å; W53-A409 HydrophobicContact CZ2-CB 4.01Å; W53-A409 HydrophobicContact CZ3-CB 3.72Å
54I96.6Very high95Very high0 Ų020.4 Ų20.40%010%0.102CC..EExtended strand (participates in β ladder)trans-120.5114-178.8-46.5178.2000107.6V44 R45 I62 V63 L64 L92 P94 I109V44-I54 CarbonylContact C-O 3.57Å; V44-I54 WeakPolarHBondContact CA-O 3.48Å; R45-I54 HydrophobicContact CB-CB 4.34Å; R45-I54 PolarHBondContact N-O 3.29Å; R45-I54 PolarHBondContact O-N 2.8Å; I54-I62 HydrophobicContact CG2-CG2 3.64Å; I54-V63 CarbonylContact C-O 3.56Å; I54-V63 WeakPolarHBondContact CA-O 3.38Å; I54-L64 HydrophobicContact CB-CD2 4.26Å; I54-L64 HydrophobicContact CD1-CD2 4.38Å; I54-L64 HydrophobicContact CG1-CD2 3.86Å; I54-L64 HydrophobicContact CG2-CD2 3.84Å; I54-L92 HydrophobicContact CB-CD1 4.04Å; I54-L92 HydrophobicContact CG2-CD1 3.49Å; I54-L92 VanDerWaalsContact CG2-CD1 3.49Å; I54-L92 HydrophobicContact CG2-CD2 4.11Å; I54-P94 HydrophobicContact CD1-CG 3.99Å; I54-I109 HydrophobicContact CD1-CD1 3.85Å; I54-I109 HydrophobicContact CD1-CG1 4Å; I54-I109 HydrophobicContact CG2-CD1 3.92Å
55I98.3Very high94.7Very high0 Ų020.7 Ų20.70%010%0.104CC..EExtended strand (participates in β ladder)trans-120.3118.7-169.5-55.6160.9000109L34 F36 A41 V43 V44 L57 I62 V63 V416L34-I55 HydrophobicContact CD1-CD1 3.52Å; F36-I55 HydrophobicContact CE2-CG2 4.35Å; F36-I55 HydrophobicContact CZ-CD1 4.05Å; F36-I55 HydrophobicContact CZ-CG2 4.32Å; A41-I55 HydrophobicContact CB-CG2 4.1Å; V43-I55 CarbonylContact O-C 3.48Å; V43-I55 VanDerWaalsContact O-CA 3.31Å; V43-I55 WeakPolarHBondContact O-CA 3.29Å; V44-I55 HydrophobicContact CG1-CG1 4.31Å; V44-I55 HydrophobicContact CG2-CG1 4.41Å; I55-L57 HydrophobicContact CG2-CD2 3.78Å; I55-I62 CarbonylContact O-C 3.47Å; I55-I62 VanDerWaalsContact O-CA 3.24Å; I55-I62 WeakPolarHBondContact O-CA 3.24Å; I55-V63 HydrophobicContact CB-CB 4.27Å; I55-V63 PolarHBondContact N-O 2.85Å; I55-V63 PolarHBondContact O-N 3Å; I55-V416 HydrophobicContact CD1-CB 4.42Å; I55-V416 HydrophobicContact CD1-CG1 4.28Å; I55-V416 HydrophobicContact CD1-CG2 4.21Å; I55-V416 HydrophobicContact CG2-CG2 4.04Å
56G98.4Very high94.3Very high0 Ų021.3 Ų21.30%011%0.111CC..EExtended strand (participates in β ladder)trans-90.4131172.100000110.7M42 V43M42-G56 WeakPolarHBondContact CB-O 3.49Å; M42-G56 PolarHBondContact N-O 3.33Å; V43-G56 PolarHBondContact N-O 3.39Å; V43-G56 PolarHBondContact O-N 3.16Å
57L98.6Very high94.1Very high0 Ų021.2 Ų21.20%011%0.112CC..EExtended strand (participates in β ladder)trans-107.3160.2-175.6-60.7-173.5000112.6L8 F36 V39 N40 A41 I55 N59 G60 T61 V63 C89L8-L57 HydrophobicContact CD1-CD1 4.18Å; L8-L57 HydrophobicContact CD2-CD1 4.28Å; L8-L57 HydrophobicContact CG-CD1 4.45Å; F36-L57 HydrophobicContact CD1-CD1 3.84Å; F36-L57 HydrophobicContact CD1-CD2 4.19Å; F36-L57 HydrophobicContact CD2-CD2 4.05Å; F36-L57 HydrophobicContact CE1-CD1 4.15Å; F36-L57 HydrophobicContact CE1-CD2 4.29Å; F36-L57 HydrophobicContact CE2-CD2 4.16Å; F36-L57 HydrophobicContact CG-CD1 4.32Å; F36-L57 HydrophobicContact CG-CD2 4.07Å; F36-L57 HydrophobicContact CZ-CD2 4.27Å; V39-L57 HydrophobicContact CG1-CB 3.77Å; V39-L57 HydrophobicContact CG1-CD1 4.18Å; V39-L57 HydrophobicContact CG1-CG 4.44Å; N40-L57 CarbonylContact O-C 3.57Å; N40-L57 WeakPolarHBondContact O-CA 3.35Å; A41-L57 HydrophobicContact CB-CD2 4.1Å; I55-L57 HydrophobicContact CG2-CD2 3.78Å; L57-N59 VanDerWaalsContact CB-OD1 3.29Å; L57-N59 WeakPolarHBondContact CB-OD1 3.38Å; L57-N59 PolarHBondContact O-N 3.41Å; L57-G60 PolarHBondContact O-N 3.03Å; L57-T61 WeakPolarHBondContact CB-O 3.27Å; L57-T61 HydrophobicContact CD1-CG2 4.37Å; L57-T61 PolarHBondContact N-O 3.24Å; L57-V63 HydrophobicContact CD1-CG2 3.96Å; L57-V63 HydrophobicContact CG-CG2 4.39Å; L57-C89 PolarHBondContact O-N 3.3Å
58S98.1Very high93.7Very high32 Ų3228.1 Ų28.122%0.22414%0.144CC..THydrogen-bonded Turntrans-69.4-10.7-178.668.20000114.7V39 N40 P88V39-S58 WeakPolarHBondContact CG1-OG 3.33Å; N40-S58 PolarHBondContact N-OG 3.19Å; N40-S58 PolarHBondContact O-N 3.28Å; S58-P88 WeakPolarHBondContact O-CA 3.28Å; S58-P88 VanDerWaalsContact O-CD 3.32Å; S58-P88 WeakPolarHBondContact O-CD 3.27Å; S58-P88 VanDerWaalsContact O-CG 3.3Å; S58-P88 WeakPolarHBondContact O-CG 3.16Å
59N97.1Very high92.7Very high46 Ų4631.5 Ų31.525%0.24616%0.158CC..THydrogen-bonded Turntrans-984.6172.969.4-13.1000112.9V39 L57 T61 T86V39-N59 HydrophobicContact CG1-CB 4.02Å; L57-N59 VanDerWaalsContact CB-OD1 3.29Å; L57-N59 WeakPolarHBondContact CB-OD1 3.38Å; L57-N59 PolarHBondContact O-N 3.41Å; N59-T61 PolarHBondContact ND2-OG1 2.94Å; N59-T61 VanDerWaalsContact OD1-CB 3.32Å; N59-T61 WeakPolarHBondContact OD1-CB 3.14Å; N59-T61 PolarHBondContact OD1-N 3.39Å; N59-T61 PolarHBondContact OD1-OG1 2.99Å; N59-T86 CarbonylContact O-C 3.46Å; N59-T86 WeakPolarHBondContact O-CA 3.36Å
60G97.7Very high91.3Very high1 Ų132.2 Ų32.21%0.0117%0.166CC..SBendtrans88.2-4.6-179.500000115.2L57 L87 Y113L57-G60 PolarHBondContact O-N 3.03Å; G60-L87 WeakPolarHBondContact CA-O 3.18Å; G60-L87 PolarHBondContact N-O 3.32Å; G60-L87 VanDerWaalsContact N-O 3.17Å; G60-Y113 WeakPolarHBondContact O-CE1 3.42Å
61T96.9Very high89.4Confident8 Ų840 Ų405%0.04920%0.201CC..  trans-69.6139.8173.2-57.20000110.9L8 L57 N59 V63 T79 N81L8-T61 HydrophobicContact CD2-CG2 3.77Å; L57-T61 WeakPolarHBondContact CB-O 3.27Å; L57-T61 HydrophobicContact CD1-CG2 4.37Å; L57-T61 PolarHBondContact N-O 3.24Å; N59-T61 PolarHBondContact ND2-OG1 2.94Å; N59-T61 VanDerWaalsContact OD1-CB 3.32Å; N59-T61 WeakPolarHBondContact OD1-CB 3.14Å; N59-T61 PolarHBondContact OD1-N 3.39Å; N59-T61 PolarHBondContact OD1-OG1 2.99Å; T61-V63 HydrophobicContact CG2-CG2 4.32Å; T61-T79 HydrophobicContact CG2-CG2 4.18Å; T61-N81 VanDerWaalsContact CA-OD1 3.31Å; T61-N81 WeakPolarHBondContact CA-OD1 3.47Å; T61-N81 WeakPolarHBondContact CB-OD1 3.21Å; T61-N81 VanDerWaalsContact CG2-OD1 3.25Å; T61-N81 WeakPolarHBondContact CG2-OD1 3.42Å; T61-N81 PolarHBondContact OG1-OD1 2.92Å
62I96.8Very high87.6Confident0 Ų044.1 Ų44.10%022%0.219CC..EExtended strand (participates in β ladder)trans-108.2132165.4-59.2168.9000108.7I54 I55 T79 L80 L92 A111 Y113I54-I62 HydrophobicContact CG2-CG2 3.64Å; I55-I62 CarbonylContact O-C 3.47Å; I55-I62 VanDerWaalsContact O-CA 3.24Å; I55-I62 WeakPolarHBondContact O-CA 3.24Å; I62-T79 CarbonylContact O-C 3.3Å; I62-T79 VanDerWaalsContact O-CA 3.28Å; I62-T79 WeakPolarHBondContact O-CA 3.39Å; I62-L80 HydrophobicContact CB-CB 4.16Å; I62-L80 HydrophobicContact CG2-CD1 4.44Å; I62-L80 PolarHBondContact N-O 2.89Å; I62-L80 PolarHBondContact O-N 2.77Å; I62-L92 HydrophobicContact CD1-CD2 4.39Å; I62-L92 HydrophobicContact CG1-CD2 4.28Å; I62-L92 HydrophobicContact CG2-CD2 4.27Å; I62-A111 HydrophobicContact CD1-CB 3.5Å; I62-Y113 WeakPolarHBondContact CD1-OH 3.45Å
63V94.9Very high85.7Confident0 Ų048.2 Ų48.20%024%0.24CC..EExtended strand (participates in β ladder)trans-105.9127.2176.1-176.50000109.2L8 M9 F36 I54 I55 L57 T61 F77 T79L8-V63 HydrophobicContact CD2-CG2 4.08Å; M9-V63 HydrophobicContact SD-CG1 4.38Å; F36-V63 HydrophobicContact CE1-CG2 3.93Å; F36-V63 HydrophobicContact CZ-CG2 4.49Å; I54-V63 CarbonylContact C-O 3.56Å; I54-V63 WeakPolarHBondContact CA-O 3.38Å; I55-V63 HydrophobicContact CB-CB 4.27Å; I55-V63 PolarHBondContact N-O 2.85Å; I55-V63 PolarHBondContact O-N 3Å; L57-V63 HydrophobicContact CD1-CG2 3.96Å; L57-V63 HydrophobicContact CG-CG2 4.39Å; T61-V63 HydrophobicContact CG2-CG2 4.32Å; V63-F77 HydrophobicContact CG1-CB 4.29Å; V63-F77 HydrophobicContact CG1-CD2 4.07Å; V63-T79 HydrophobicContact CG2-CG2 4.33Å
64L93.8Very high83.6Confident0 Ų054.5 Ų54.50%028%0.278CS..EExtended strand (participates in β ladder)trans-101.8115.7168.7-60176.4000108W53 I54 F77 Y78 L80 I109 Y123W53-L64 WeakPolarHBondContact O-CA 3.32Å; I54-L64 HydrophobicContact CB-CD2 4.26Å; I54-L64 HydrophobicContact CD1-CD2 4.38Å; I54-L64 HydrophobicContact CG1-CD2 3.86Å; I54-L64 HydrophobicContact CG2-CD2 3.84Å; L64-F77 CarbonylContact O-C 3.6Å; L64-F77 WeakPolarHBondContact O-CA 3.22Å; L64-F77 WeakPolarHBondContact O-CB 3.4Å; L64-Y78 PolarHBondContact N-O 3.32Å; L64-Y78 PolarHBondContact O-N 3.4Å; L64-L80 HydrophobicContact CD1-CD1 4.14Å; L64-L80 HydrophobicContact CD1-CD2 4.2Å; L64-L80 HydrophobicContact CD1-CG 4.21Å; L64-L80 HydrophobicContact CG-CD1 4.41Å; L64-L80 HydrophobicContact CG-CG 4.44Å; L64-I109 HydrophobicContact CD2-CD1 3.8Å; L64-Y123 HydrophobicContact CD1-CD2 3.89Å; L64-Y123 HydrophobicContact CD1-CG 3.89Å
65L92.2Very high82Confident6 Ų657.8 Ų57.83%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-121.4128.8-179171.368.9000110F11 L34 Y52 W53 F77 I418F11-L65 HydrophobicContact CE1-CD1 3.97Å; F11-L65 HydrophobicContact CE1-CD2 4.37Å; F11-L65 HydrophobicContact CZ-CD1 3.61Å; L34-L65 HydrophobicContact CD1-CD2 3.4Å; L34-L65 VanDerWaalsContact CD1-CD2 3.4Å; L34-L65 HydrophobicContact CD2-CD2 3.75Å; L34-L65 HydrophobicContact CG-CD2 4.17Å; Y52-L65 CarbonylContact C-O 3.55Å; Y52-L65 WeakPolarHBondContact CA-O 3.33Å; W53-L65 HydrophobicContact CB-CB 4.31Å; W53-L65 PolarHBondContact N-O 2.91Å; W53-L65 PolarHBondContact O-N 3.34Å; L65-F77 HydrophobicContact CB-CB 4.38Å; L65-F77 HydrophobicContact CD1-CB 3.94Å; L65-I418 HydrophobicContact CD2-CD1 4.07Å
66S90.4Very high81.1Confident34 Ų3459 Ų5924%0.23830%0.302CS..EExtended strand (participates in β ladder)trans-57136.3173.21800000111.8K51 E68 N76K51-S66 CarbonylContact O-C 3.48Å; K51-S66 WeakPolarHBondContact O-CA 3.22Å; S66-E68 VanDerWaalsContact C-N 3.34Å; S66-E68 PolarHBondContact OG-N 3.32Å; S66-E68 PolarHBondContact OG-O 3.47Å; S66-N76 PolarHBondContact N-O 3.44Å
67T90.2Very high80.5Confident26 Ų2659.6 Ų59.616%0.1631%0.305CS..SBendtrans-75.5-25.3170.854.10000112.6I46 N50 K51 W53 I393I46-T67 HydrophobicContact CD1-CG2 3.58Å; N50-T67 VanDerWaalsContact O-CG2 3.28Å; N50-T67 WeakPolarHBondContact O-CG2 3.38Å; N50-T67 PolarHBondContact O-OG1 3.26Å; K51-T67 WeakPolarHBondContact CA-OG1 3.43Å; K51-T67 PolarHBondContact O-N 2.88Å; K51-T67 PolarHBondContact O-OG1 2.98Å; W53-T67 HydrophobicContact CD2-CG2 4.24Å; W53-T67 HydrophobicContact CG-CG2 4.2Å; W53-T67 HydrophobicContact CZ2-CG2 4.5Å; T67-I393 HydrophobicContact CG2-CD1 3.92Å
68E84Confident80.1Confident145 Ų14560.3 Ų60.368%0.67831%0.308SS*.SBendtrans-83.3130.4175.1-65.1-177.917900111S66 S70S66-E68 VanDerWaalsContact C-N 3.34Å; S66-E68 PolarHBondContact OG-N 3.32Å; S66-E68 PolarHBondContact OG-O 3.47Å; E68-S70 PolarHBondContact O-N 3.01Å
69E69.3Low79.8Confident143 Ų14359 Ų5967%0.66830%0.299SS*.  trans-75.9105.9169.1-69.1-170.9169.100109.8N32N32-E69 PolarHBondContact ND2-OE1 3.32Å
70S56.3Low79.6Confident52 Ų5257 Ų5736%0.36429%0.288SS..  trans-87.6112.4165.1-168.80000109.6E68 K72 Q73 N76E68-S70 PolarHBondContact O-N 3.01Å; S70-K72 PolarHBondContact O-N 2.7Å; S70-Q73 PolarHBondContact O-N 2.69Å; S70-N76 PolarHBondContact N-ND2 2.88Å
71E51.7Low79.4Confident200 Ų20060.3 Ų60.394%0.93531%0.305SS*.THydrogen-bonded Turntrans-54.5-19.8171.5-68-175.116100113.2
72K51.8Low79.3Confident190 Ų19060.4 Ų60.483%0.82631%0.307SS*.THydrogen-bonded Turntrans-101.2-11.2-169.6-66.2-176.7-179.2176.50115.1S70S70-K72 PolarHBondContact O-N 2.7Å
73Q51.4Low79Confident128 Ų12867.8 Ų67.860%0.59835%0.347SS*.  trans-117.7119.8-175.8-85180-3.500111.5S70 N75 N76S70-Q73 PolarHBondContact O-N 2.69Å; Q73-N75 VanDerWaalsContact C-N 3.28Å; Q73-N75 PolarHBondContact O-N 3.35Å; Q73-N76 WeakPolarHBondContact CB-OD1 3.05Å; Q73-N76 PolarHBondContact O-OD1 3.35Å; Q73-N76 PolarHBondContact OE1-OD1 2.88Å
74T52.2Low78.9Confident134 Ų13471.4 Ų71.482%0.82238%0.384SS*.SBendtrans-73.5-17.3177.447.20000113.5
75N61.3Low79Confident69 Ų6972.7 Ų72.737%0.36939%0.39SS..  trans-128.170.3-177.9-78.36.5000111.2N6 Q73 F77N6-N75 PolarHBondContact OD1-ND2 2.7Å; Q73-N75 VanDerWaalsContact C-N 3.28Å; Q73-N75 PolarHBondContact O-N 3.35Å; N75-F77 PolarHBondContact O-N 2.8Å; N75-F77 VanDerWaalsContact O-N 3.07Å
76N79.8Confident79.2Confident25 Ų2577.4 Ų77.413%0.13442%0.419CS..  trans-76.418.8176.4-68.8-16.2000113.7S66 S70 Q73S66-N76 PolarHBondContact N-O 3.44Å; S70-N76 PolarHBondContact N-ND2 2.88Å; Q73-N76 WeakPolarHBondContact CB-OD1 3.05Å; Q73-N76 PolarHBondContact O-OD1 3.35Å; Q73-N76 PolarHBondContact OE1-OD1 2.88Å
77F87Confident79.6Confident12 Ų1279.3 Ų79.35%0.05343%0.426CS..EExtended strand (participates in β ladder)trans-138158.6-177.279.2-85.6000113.2M9 F11 V63 L64 L65 N75 T79M9-F77 HydrophobicContact CE-CB 4.06Å; M9-F77 HydrophobicContact CE-CD1 3.48Å; M9-F77 VanDerWaalsContact CE-CD1 3.48Å; M9-F77 HydrophobicContact CE-CD2 4.07Å; M9-F77 HydrophobicContact CE-CE1 3.86Å; M9-F77 HydrophobicContact CE-CE2 4.4Å; M9-F77 HydrophobicContact CE-CG 3.6Å; M9-F77 HydrophobicContact CE-CZ 4.3Å; F11-F77 HydrophobicContact CE2-CD1 4.26Å; V63-F77 HydrophobicContact CG1-CB 4.29Å; V63-F77 HydrophobicContact CG1-CD2 4.07Å; L64-F77 CarbonylContact O-C 3.6Å; L64-F77 WeakPolarHBondContact O-CA 3.22Å; L64-F77 WeakPolarHBondContact O-CB 3.4Å; L65-F77 HydrophobicContact CB-CB 4.38Å; L65-F77 HydrophobicContact CD1-CB 3.94Å; N75-F77 PolarHBondContact O-N 2.8Å; N75-F77 VanDerWaalsContact O-N 3.07Å; F77-T79 HydrophobicContact CD2-CG2 4.19Å; F77-T79 HydrophobicContact CE2-CG2 4.05Å
78Y89Confident79.9Confident15 Ų1579.5 Ų79.56%0.05943%0.427CS..EExtended strand (participates in β ladder)trans-140.5154.5176-172-103.2000110.6S2 L64 L80 M127 K128S2-Y78 WeakPolarHBondContact CB-OH 3.32Å; S2-Y78 PolarHBondContact OG-OH 3.3Å; L64-Y78 PolarHBondContact N-O 3.32Å; L64-Y78 PolarHBondContact O-N 3.4Å; Y78-L80 HydrophobicContact CD1-CD2 3.87Å; Y78-L80 HydrophobicContact CE1-CD2 3.72Å; Y78-M127 WeakPolarHBondContact CD1-O 3.39Å; Y78-M127 VanDerWaalsContact CE1-O 3.26Å; Y78-M127 WeakPolarHBondContact CE1-O 3.26Å; Y78-K128 HydrophobicContact CE2-CB 4.33Å; Y78-K128 HydrophobicContact CE2-CG 3.77Å; Y78-K128 WeakPolarHBondContact OH-CA 3.23Å
79T92Very high80.6Confident6 Ų672.6 Ų72.64%0.03740%0.395CS..EExtended strand (participates in β ladder)trans-119.6132.9-176.261.30000111.6L8 T61 I62 V63 F77 N81L8-T79 HydrophobicContact CD2-CG2 3.6Å; T61-T79 HydrophobicContact CG2-CG2 4.18Å; I62-T79 CarbonylContact O-C 3.3Å; I62-T79 VanDerWaalsContact O-CA 3.28Å; I62-T79 WeakPolarHBondContact O-CA 3.39Å; V63-T79 HydrophobicContact CG2-CG2 4.33Å; F77-T79 HydrophobicContact CD2-CG2 4.19Å; F77-T79 HydrophobicContact CE2-CG2 4.05Å; T79-N81 PolarHBondContact OG1-ND2 2.99Å
80L94Very high82Confident3 Ų366.5 Ų66.52%0.01637%0.369CS..EExtended strand (participates in β ladder)trans-102.3127170.8-44.7178.6000108.4I62 L64 Y78 I109 W121I62-L80 HydrophobicContact CB-CB 4.16Å; I62-L80 HydrophobicContact CG2-CD1 4.44Å; I62-L80 PolarHBondContact N-O 2.89Å; I62-L80 PolarHBondContact O-N 2.77Å; L64-L80 HydrophobicContact CD1-CD1 4.14Å; L64-L80 HydrophobicContact CD1-CD2 4.2Å; L64-L80 HydrophobicContact CD1-CG 4.21Å; L64-L80 HydrophobicContact CG-CD1 4.41Å; L64-L80 HydrophobicContact CG-CG 4.44Å; Y78-L80 HydrophobicContact CD1-CD2 3.87Å; Y78-L80 HydrophobicContact CE1-CD2 3.72Å; L80-I109 HydrophobicContact CD1-CD1 4.31Å; L80-W121 HydrophobicContact CB-CD2 4.18Å; L80-W121 HydrophobicContact CB-CE3 3.93Å; L80-W121 HydrophobicContact CB-CH2 4.26Å; L80-W121 HydrophobicContact CB-CZ2 4.46Å; L80-W121 HydrophobicContact CB-CZ3 3.97Å; L80-W121 HydrophobicContact CD1-CB 4.05Å; L80-W121 HydrophobicContact CD1-CD2 4.07Å; L80-W121 HydrophobicContact CD1-CE3 4.1Å; L80-W121 HydrophobicContact CD1-CG 4.06Å; L80-W121 HydrophobicContact CD2-CE3 4.4Å; L80-W121 HydrophobicContact CG-CE3 4.38Å
81N93.4Very high84Confident70 Ų7064.1 Ų64.137%0.37435%0.352SS..  trans-140.6129-179.1-65.7-78.5000108.5T61 T79 W121T61-N81 VanDerWaalsContact CA-OD1 3.31Å; T61-N81 WeakPolarHBondContact CA-OD1 3.47Å; T61-N81 WeakPolarHBondContact CB-OD1 3.21Å; T61-N81 VanDerWaalsContact CG2-OD1 3.25Å; T61-N81 WeakPolarHBondContact CG2-OD1 3.42Å; T61-N81 PolarHBondContact OG1-OD1 2.92Å; T79-N81 PolarHBondContact OG1-ND2 2.99Å; N81-W121 WeakPolarHBondContact O-CH2 3.3Å
82A94.3Very high86.3Confident10 Ų1054.6 Ų54.68%0.08331%0.307CS..  trans-84.3139.3168.500000109.2G84 E85 W121 L132A82-G84 PolarHBondContact O-N 3.23Å; A82-E85 HydrophobicContact CB-CB 4.09Å; A82-E85 PolarHBondContact O-N 3Å; A82-W121 HydrophobicContact CB-CH2 4.31Å; A82-W121 HydrophobicContact CB-CZ2 4.08Å; A82-L132 HydrophobicContact CB-CD2 4.3Å
83D91.4Very high88.4Confident156 Ų15647 Ų4783%0.83427%0.274SS*.THydrogen-bonded Turntrans-59.5127.8-179.9-67-26.7000110.5E85D83-E85 PolarHBondContact O-N 3.2Å
84G92.7Very high90.5Very high76 Ų7641.2 Ų41.278%0.78425%0.248SC*.THydrogen-bonded Turntrans78.5-5.6178.800000115.8A82 T86A82-G84 PolarHBondContact O-N 3.23Å; G84-T86 PolarHBondContact O-N 3.43Å
85E96Very high92.4Very high27 Ų2735.5 Ų35.513%0.12621%0.213CC..  trans-71.3129.6174.2-175.360.2-93.200110.5A82 D83 L87 Y113 S115 H117 R119A82-E85 HydrophobicContact CB-CB 4.09Å; A82-E85 PolarHBondContact O-N 3Å; D83-E85 PolarHBondContact O-N 3.2Å; E85-L87 WeakPolarHBondContact OE1-CB 3.24Å; E85-L87 PolarHBondContact OE1-N 2.73Å; E85-Y113 HydrophobicContact CG-CD1 3.9Å; E85-Y113 HydrophobicContact CG-CE1 4.06Å; E85-S115 PolarHBondContact OE1-OG 3.43Å; E85-S115 WeakPolarHBondContact OE2-CB 3.32Å; E85-S115 PolarHBondContact OE2-OG 3.09Å; E85-H117 IonicContact OE2-CD2 2.92Å; E85-R119 IonicContact OE2-CZ 3.89Å; E85-R119 VanDerWaalsContact OE2-CZ 3.26Å; E85-R119 IonicContact OE2-NH1 2.62Å; E85-R119 PolarHBondContact OE2-NH1 3.39Å; E85-R119 IonicContact OE2-NH2 3.67Å; E85-R119 PolarHBondContact OE2-NH2 3.01Å
86T95.8Very high93.7Very high104 Ų10433.1 Ų33.164%0.63820%0.201SC*.  trans-136.1-7.2-179.655.50000112.4N59 G84N59-T86 CarbonylContact O-C 3.46Å; N59-T86 WeakPolarHBondContact O-CA 3.36Å; G84-T86 PolarHBondContact O-N 3.43Å
87L97.4Very high93.6Very high75 Ų7535.1 Ų35.139%0.39321%0.209SC..SBendtrans-94.3156-178.8-65.4-179.2000111.1G60 E85 C89 V114G60-L87 WeakPolarHBondContact CA-O 3.18Å; G60-L87 PolarHBondContact N-O 3.32Å; G60-L87 VanDerWaalsContact N-O 3.17Å; E85-L87 WeakPolarHBondContact OE1-CB 3.24Å; E85-L87 PolarHBondContact OE1-N 2.73Å; L87-C89 PolarHBondContact O-N 3.15Å; L87-V114 HydrophobicContact CB-CB 4.35Å
88P98.4Very high92.5Very high29 Ų2938.7 Ų38.719%0.18823%0.229CC..  trans-53.5136.7-174.5-27.431.6000114.1M42 S58 S90 Y113 V114M42-P88 HydrophobicContact CE-CB 4.44Å; M42-P88 HydrophobicContact CG-CB 4.29Å; S58-P88 WeakPolarHBondContact O-CA 3.28Å; S58-P88 VanDerWaalsContact O-CD 3.32Å; S58-P88 WeakPolarHBondContact O-CD 3.27Å; S58-P88 VanDerWaalsContact O-CG 3.3Å; S58-P88 WeakPolarHBondContact O-CG 3.16Å; P88-S90 PolarHBondContact O-N 2.97Å; P88-Y113 VanDerWaalsContact O-CA 3.3Å; P88-Y113 WeakPolarHBondContact O-CA 3.35Å; P88-V114 HydrophobicContact CB-CG2 3.86Å; P88-V114 HydrophobicContact CG-CG2 4.1Å; P88-V114 PolarHBondContact O-N 2.98Å
89C98.6Very high90.9Very high0 Ų045.1 Ų45.10%026%0.264CS..EExtended strand (participates in β ladder)trans-72.3103.7155.4-177.40000107.1M42 L57 L87 V112 Y113M42-C89 VanDerWaalsContact CB-O 3.3Å; M42-C89 WeakPolarHBondContact CB-O 3.3Å; L57-C89 PolarHBondContact O-N 3.3Å; L87-C89 PolarHBondContact O-N 3.15Å; C89-V112 CarbonylContact C-O 3.58Å; C89-V112 WeakPolarHBondContact CA-O 3.41Å; C89-Y113 HydrophobicContact CB-CD1 3.97Å; C89-Y113 HydrophobicContact CB-CE1 3.7Å
90S98.4Very high89Confident16 Ų1647.9 Ų47.911%0.11229%0.294CS..EExtended strand (participates in β ladder)trans-81.8-33.4-169.844.80000112.8P88 V112 I160P88-S90 PolarHBondContact O-N 2.97Å; S90-V112 PolarHBondContact N-O 3.49Å; S90-V112 PolarHBondContact OG-O 2.91Å; S90-I160 WeakPolarHBondContact CB-O 3.13Å; S90-I160 PolarHBondContact OG-O 3.04Å
91D98.8Very high86.9Confident1 Ų157.8 Ų57.81%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-155.4157.7174.2-165.420.4000109.6R45 V112 C163 S261R45-D91 IonicContact CZ-OD1 3.97Å; R45-D91 IonicContact NE-OD1 2.87Å; R45-D91 IonicContact NH2-OD1 2.83Å; R45-D91 PolarHBondContact NH2-OD1 3.28Å; D91-V112 HydrophobicContact CB-CG2 3.71Å; D91-V112 WeakPolarHBondContact O-CG2 3.37Å; D91-V112 PolarHBondContact O-N 3.02Å; D91-C163 PolarHBondContact OD2-N 2.8Å; D91-S261 WeakPolarHBondContact OD1-CB 3.33Å; D91-S261 PolarHBondContact OD1-OG 3.14Å; D91-S261 WeakPolarHBondContact OD2-CB 3.34Å
92L98.3Very high84.8Confident0 Ų059.1 Ų59.10%034%0.337CS..EExtended strand (participates in β ladder)trans-155.1157.1173.466.791000110.5V43 R45 I54 I62 I109 L110 A111V43-L92 HydrophobicContact CG1-CD2 3.64Å; V43-L92 HydrophobicContact CG1-CG 3.81Å; V43-L92 HydrophobicContact CG2-CG 4.44Å; R45-L92 HydrophobicContact CB-CD1 3.86Å; R45-L92 WeakPolarHBondContact CD-O 3.34Å; R45-L92 HydrophobicContact CG-CD1 3.46Å; R45-L92 VanDerWaalsContact CG-CD1 3.46Å; R45-L92 HydrophobicContact CG-CG 4.17Å; R45-L92 VanDerWaalsContact CG-O 3.24Å; R45-L92 WeakPolarHBondContact CG-O 3.13Å; R45-L92 PolarHBondContact NE-O 3.45Å; I54-L92 HydrophobicContact CB-CD1 4.04Å; I54-L92 HydrophobicContact CG2-CD1 3.49Å; I54-L92 VanDerWaalsContact CG2-CD1 3.49Å; I54-L92 HydrophobicContact CG2-CD2 4.11Å; I62-L92 HydrophobicContact CD1-CD2 4.39Å; I62-L92 HydrophobicContact CG1-CD2 4.28Å; I62-L92 HydrophobicContact CG2-CD2 4.27Å; L92-I109 HydrophobicContact CB-CG2 4.25Å; L92-I109 HydrophobicContact CD1-CG2 4.16Å; L92-L110 CarbonylContact C-O 3.54Å; L92-L110 WeakPolarHBondContact CA-O 3.4Å; L92-L110 WeakPolarHBondContact CB-O 3.19Å; L92-A111 HydrophobicContact CB-CB 3.94Å
93Q96.2Very high82.8Confident30 Ų3065.4 Ų65.414%0.1437%0.365CS..EExtended strand (participates in β ladder)trans-147.2133.6176.2-158.7-177.4-27.600110.5L110 S164Q93-L110 PolarHBondContact N-O 2.96Å; Q93-L110 PolarHBondContact O-N 3.27Å; Q93-S164 VanDerWaalsContact OE1-CA 3.27Å; Q93-S164 PolarHBondContact OE1-OG 2.75Å
94P94.9Very high81Confident8 Ų864.5 Ų64.55%0.05236%0.36CS..EExtended strand (participates in β ladder)trans-58.7139.8160.6-818.1000109.7I46 I54 P96 L108I46-P94 WeakPolarHBondContact O-CG 3.07Å; I54-P94 HydrophobicContact CD1-CG 3.99Å; P94-P96 WeakPolarHBondContact O-CD 3.43Å; P94-L108 WeakPolarHBondContact CA-O 3.08Å
95I93.5Very high79.3Confident13 Ų1365.8 Ų65.87%0.06735%0.349CS..PPolyproline II helixtrans-75.1127.7177.2-59-173.5000108.7N48 E97 L108 L120 M186N48-I95 PolarHBondContact ND2-O 2.86Å; I95-E97 PolarHBondContact O-N 2.84Å; I95-L108 HydrophobicContact CB-CB 4.09Å; I95-L108 HydrophobicContact CD1-CB 3.63Å; I95-L108 HydrophobicContact CD1-CD1 4.02Å; I95-L108 HydrophobicContact CD1-CG 4.48Å; I95-L108 HydrophobicContact CG1-CB 3.91Å; I95-L108 PolarHBondContact N-O 3.26Å; I95-L120 HydrophobicContact CD1-CD1 3.35Å; I95-L120 HydrophobicContact CG1-CD1 4.49Å; I95-M186 HydrophobicContact CD1-CE 3.52Å; I95-M186 HydrophobicContact CD1-CG 4.31Å; I95-M186 HydrophobicContact CD1-SD 3.45Å; I95-M186 WeakPolarHBondContact CD1-SD 3.26Å; I95-M186 HydrophobicContact CG1-CE 4.07Å; I95-M186 HydrophobicContact CG2-CE 4.18Å
96P88.9Confident77.8Confident19 Ų1967.6 Ų67.612%0.12336%0.364CS..PPolyproline II helixtrans-53.6137.8176.8-27.936.6000112.6P94 C165 Y167P94-P96 WeakPolarHBondContact O-CD 3.43Å; P96-C165 HydrophobicContact CG-CB 4.38Å; P96-Y167 HydrophobicContact CB-CD1 4.34Å; P96-Y167 HydrophobicContact CG-CD1 4.24Å
97E76.4Confident77.2Confident67 Ų6763.5 Ų63.531%0.31334%0.337SS..PPolyproline II helixtrans-83.2133178.4-72.7175.6-16100111.4I95 H107I95-E97 PolarHBondContact O-N 2.84Å; E97-H107 IonicContact OE1-ND1 3.33Å
98L65.1Low77Confident88 Ų8862.3 Ų62.346%0.46133%0.331SS..SBendtrans-78.9127.1177.7-84.6143.4000111.7G100 R101 D168L98-G100 VanDerWaalsContact C-N 3.27Å; L98-G100 PolarHBondContact O-N 2.81Å; L98-R101 PolarHBondContact O-N 2.93Å; L98-D168 WeakPolarHBondContact CD1-O 3.09Å; L98-D168 WeakPolarHBondContact CD2-O 3.41Å
99N55.4Low76.8Confident149 Ų14961 Ų6180%0.79732%0.322SS*.THydrogen-bonded Turntrans58.625.5166.2-62.7-30000116.3R101N99-R101 PolarHBondContact O-N 2.83Å
100G51.9Low76.8Confident65 Ų6561.1 Ų61.167%0.6732%0.323SS*.THydrogen-bonded Turntrans61.17.9179.400000114.4L98 I102L98-G100 VanDerWaalsContact C-N 3.27Å; L98-G100 PolarHBondContact O-N 2.81Å; G100-I102 VanDerWaalsContact C-N 3.26Å; G100-I102 PolarHBondContact O-N 3.42Å
101R49.8Very low76.8Confident210 Ų21060.3 Ų60.379%0.79232%0.318SS*.  trans-79.786.7168.9-71.9-172179.8-175.20.6106.2L98 N99 Q103L98-R101 PolarHBondContact O-N 2.93Å; N99-R101 PolarHBondContact O-N 2.83Å; R101-Q103 PolarHBondContact O-N 2.83Å
102I49.8Very low76.8Confident98 Ų9860.3 Ų60.350%0.50332%0.318SS..  trans-53.6100.3157.5-56.4171.9000104.4G100 D104G100-I102 VanDerWaalsContact C-N 3.26Å; G100-I102 PolarHBondContact O-N 3.42Å; I102-D104 PolarHBondContact O-N 3.45Å
103Q52.1Low76.8Confident142 Ų14260.3 Ų60.366%0.66432%0.318SS*.  trans-66.1104.1156.7-79-175.13.600103.4R101 N105 C106R101-Q103 PolarHBondContact O-N 2.83Å; Q103-N105 PolarHBondContact O-N 3.49Å; Q103-C106 HydrophobicContact CB-CB 3.91Å; Q103-C106 PolarHBondContact O-N 2.9Å
104D53.1Low76.9Confident137 Ų13760.2 Ų60.273%0.73332%0.319SS*.THydrogen-bonded Turntrans-40.7119.7179.1-75.5-34.6000109.2I102I102-D104 PolarHBondContact O-N 3.45Å
105N56.3Low77Confident104 Ų10460.6 Ų60.656%0.55632%0.322SS*.THydrogen-bonded Turntrans70.122.5177.1-51.9-47.1000117.9Q103 H122 T124Q103-N105 PolarHBondContact O-N 3.49Å; N105-H122 PolarHBondContact O-NE2 2.87Å; N105-T124 HydrophobicContact CB-CG2 4.15Å; N105-T124 WeakPolarHBondContact O-CG2 3.2Å
106C64.7Low77.2Confident65 Ų6560 Ų6044%0.43932%0.319SS..  trans-106.763.3172-800000112.6Q103Q103-C106 HydrophobicContact CB-CB 3.91Å; Q103-C106 PolarHBondContact O-N 2.9Å
107H84.3Confident77.7Confident17 Ų1761.2 Ų61.28%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-89133.3175-49-78.8000111.6D49 E97 H122 Y123D49-H107 IonicContact OD2-CE1 3.37Å; E97-H107 IonicContact OE1-ND1 3.33Å; H107-H122 WeakPolarHBondContact O-CA 3.26Å; H107-H122 PolarHBondContact O-CD2 2.78Å; H107-Y123 HydrophobicContact CB-CD1 3.62Å; H107-Y123 HydrophobicContact CB-CD2 4.04Å; H107-Y123 HydrophobicContact CB-CE1 3.15Å; H107-Y123 HydrophobicContact CB-CE2 3.61Å; H107-Y123 HydrophobicContact CB-CG 4.04Å; H107-Y123 WeakPolarHBondContact CB-O 3.42Å; H107-Y123 WeakPolarHBondContact CB-OH 3.24Å; H107-Y123 AromaticContact CG-CE2 3.9Å; H107-Y123 AromaticContact CG-CZ 3.75Å; H107-Y123 WeakPolarHBondContact O-CD1 3.5Å; H107-Y123 PolarHBondContact O-N 2.87Å
108L92.1Very high78.7Confident51 Ų5158.1 Ų58.127%0.26731%0.309SS..EExtended strand (participates in β ladder)trans-123.3143.3-178.1-60.3176000111.6P94 I95 L120 W121 H122 L133P94-L108 WeakPolarHBondContact CA-O 3.08Å; I95-L108 HydrophobicContact CB-CB 4.09Å; I95-L108 HydrophobicContact CD1-CB 3.63Å; I95-L108 HydrophobicContact CD1-CD1 4.02Å; I95-L108 HydrophobicContact CD1-CG 4.48Å; I95-L108 HydrophobicContact CG1-CB 3.91Å; I95-L108 PolarHBondContact N-O 3.26Å; L108-L120 HydrophobicContact CB-CD1 4.26Å; L108-W121 CarbonylContact C-O 3.47Å; L108-W121 VanDerWaalsContact CA-O 3.24Å; L108-W121 WeakPolarHBondContact CA-O 3.12Å; L108-H122 HydrophobicContact CD2-CB 3.88Å; L108-L133 HydrophobicContact CD2-CD1 3.59Å
109I95.3Very high80.3Confident0 Ų054.5 Ų54.50%029%0.289CS..EExtended strand (participates in β ladder)trans-125.8129.7173.9-60.6157.7000108.2I54 L64 L80 L92 A111 W121 Y123I54-I109 HydrophobicContact CD1-CD1 3.85Å; I54-I109 HydrophobicContact CD1-CG1 4Å; I54-I109 HydrophobicContact CG2-CD1 3.92Å; L64-I109 HydrophobicContact CD2-CD1 3.8Å; L80-I109 HydrophobicContact CD1-CD1 4.31Å; L92-I109 HydrophobicContact CB-CG2 4.25Å; L92-I109 HydrophobicContact CD1-CG2 4.16Å; I109-A111 HydrophobicContact CG2-CB 4.46Å; I109-W121 HydrophobicContact CB-CB 4.32Å; I109-W121 PolarHBondContact N-O 3.07Å; I109-W121 PolarHBondContact O-N 2.65Å; I109-Y123 HydrophobicContact CD1-CD1 3.46Å; I109-Y123 VanDerWaalsContact CD1-CD1 3.46Å; I109-Y123 HydrophobicContact CD1-CE1 3.55Å; I109-Y123 HydrophobicContact CD1-CG 4.31Å; I109-Y123 HydrophobicContact CG1-CD1 3.77Å; I109-Y123 HydrophobicContact CG1-CE1 3.54Å
110L97.8Very high82.2Confident3 Ų348.2 Ų48.22%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-89.1126.6159.8176.766.6000108.1L92 Q93 C163 F172L92-L110 CarbonylContact C-O 3.54Å; L92-L110 WeakPolarHBondContact CA-O 3.4Å; L92-L110 WeakPolarHBondContact CB-O 3.19Å; Q93-L110 PolarHBondContact N-O 2.96Å; Q93-L110 PolarHBondContact O-N 3.27Å; L110-C163 HydrophobicContact CD2-CB 3.91Å; L110-C163 HydrophobicContact CG-CB 4.5Å; L110-F172 HydrophobicContact CD1-CD2 4.06Å; L110-F172 HydrophobicContact CD1-CE2 4.16Å; L110-F172 HydrophobicContact CD1-CG 4.41Å; L110-F172 HydrophobicContact CD2-CB 3.57Å; L110-F172 HydrophobicContact CD2-CD2 3.61Å; L110-F172 HydrophobicContact CD2-CE2 4.49Å; L110-F172 HydrophobicContact CD2-CG 3.71Å
111A98.6Very high84.3Confident0 Ų045.6 Ų45.60%023%0.225CC..EExtended strand (participates in β ladder)trans-128.2136.4174.600000110.2I62 L92 I109 Y113 R119I62-A111 HydrophobicContact CD1-CB 3.5Å; L92-A111 HydrophobicContact CB-CB 3.94Å; I109-A111 HydrophobicContact CG2-CB 4.46Å; A111-Y113 HydrophobicContact CB-CE2 3.81Å; A111-R119 PolarHBondContact N-O 2.83Å; A111-R119 PolarHBondContact O-N 2.83Å
112V98.8Very high86.2Confident0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-117.5153.5177.8-64.70000111.3C89 S90 D91 H117 A118 I160 C163 T174C89-V112 CarbonylContact C-O 3.58Å; C89-V112 WeakPolarHBondContact CA-O 3.41Å; S90-V112 PolarHBondContact N-O 3.49Å; S90-V112 PolarHBondContact OG-O 2.91Å; D91-V112 HydrophobicContact CB-CG2 3.71Å; D91-V112 WeakPolarHBondContact O-CG2 3.37Å; D91-V112 PolarHBondContact O-N 3.02Å; V112-H117 WeakPolarHBondContact CA-O 3.5Å; V112-A118 HydrophobicContact CG1-CB 3.93Å; V112-I160 HydrophobicContact CB-CB 4.01Å; V112-I160 HydrophobicContact CB-CG2 3.53Å; V112-I160 HydrophobicContact CG1-CG2 3.76Å; V112-I160 HydrophobicContact CG2-CG2 3.86Å; V112-C163 HydrophobicContact CB-CB 4.44Å; V112-C163 HydrophobicContact CG1-CB 3.6Å; V112-C163 HydrophobicContact CG2-CB 3.94Å; V112-T174 HydrophobicContact CG1-CG2 4.02Å
113Y98.7Very high88Confident0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-136.2148.4-167.7-60.9-99.5000111.4G60 I62 E85 P88 C89 A111 S115 G116 H117 R119 W121 I160G60-Y113 WeakPolarHBondContact O-CE1 3.42Å; I62-Y113 WeakPolarHBondContact CD1-OH 3.45Å; E85-Y113 HydrophobicContact CG-CD1 3.9Å; E85-Y113 HydrophobicContact CG-CE1 4.06Å; P88-Y113 VanDerWaalsContact O-CA 3.3Å; P88-Y113 WeakPolarHBondContact O-CA 3.35Å; C89-Y113 HydrophobicContact CB-CD1 3.97Å; C89-Y113 HydrophobicContact CB-CE1 3.7Å; A111-Y113 HydrophobicContact CB-CE2 3.81Å; Y113-S115 WeakPolarHBondContact CB-OG 3.45Å; Y113-S115 PolarHBondContact O-N 3.4Å; Y113-S115 VanDerWaalsContact O-N 3.15Å; Y113-G116 PolarHBondContact O-N 2.85Å; Y113-H117 HydrophobicContact CD2-CB 4.38Å; Y113-H117 WeakPolarHBondContact CD2-O 3.42Å; Y113-H117 PolarHBondContact N-O 3.46Å; Y113-R119 HydrophobicContact CD2-CG 4.34Å; Y113-R119 HydrophobicContact CE2-CB 4Å; Y113-R119 HydrophobicContact CE2-CG 3.89Å; Y113-W121 PolarHBondContact OH-NE1 3.33Å; Y113-I160 CarbonylContact C-O 3.5Å; Y113-I160 PolarHBondContact O-N 3.39Å
114V97.8Very high89.2Confident29 Ų2926.6 Ų26.618%0.17615%0.145CC..THydrogen-bonded Turntrans-61-22.3173.9176.40000111.8L87 P88 G116 Q159L87-V114 HydrophobicContact CB-CB 4.35Å; P88-V114 HydrophobicContact CB-CG2 3.86Å; P88-V114 HydrophobicContact CG-CG2 4.1Å; P88-V114 PolarHBondContact O-N 2.98Å; V114-G116 PolarHBondContact O-N 3.2Å; V114-Q159 HydrophobicContact CG1-CB 4Å; V114-Q159 HydrophobicContact CG1-CG 3.92Å; V114-Q159 WeakPolarHBondContact O-CA 3.36Å; V114-Q159 WeakPolarHBondContact O-CB 3.47Å; V114-Q159 WeakPolarHBondContact O-CG 3.43Å
115S97.1Very high90.2Very high15 Ų1520.3 Ų20.311%0.10511%0.113CC..THydrogen-bonded Turntrans-66-8.4172.5520000114.8E85 Y113 H117E85-S115 PolarHBondContact OE1-OG 3.43Å; E85-S115 WeakPolarHBondContact OE2-CB 3.32Å; E85-S115 PolarHBondContact OE2-OG 3.09Å; Y113-S115 WeakPolarHBondContact CB-OG 3.45Å; Y113-S115 PolarHBondContact O-N 3.4Å; Y113-S115 VanDerWaalsContact O-N 3.15Å; S115-H117 PolarHBondContact OG-CD2 3Å; S115-H117 VanDerWaalsContact OG-CD2 3.27Å
116G97.5Very high90.8Very high0 Ų016.7 Ų16.70%010%0.097CC..SBendtrans84.719.3-175.500000114.1Y113 V114 T137 E138 N158Y113-G116 PolarHBondContact O-N 2.85Å; V114-G116 PolarHBondContact O-N 3.2Å; G116-T137 WeakPolarHBondContact O-CA 3.31Å; G116-E138 PolarHBondContact O-N 2.87Å; G116-N158 WeakPolarHBondContact CA-O 3.5Å
117H98.3Very high91.2Very high45 Ų4519.3 Ų19.321%0.20810%0.104CC..EExtended strand (participates in β ladder)trans-101134.9174.5-64.6-56.7000111.5E85 V112 Y113 S115 R119 T135 I136 T137E85-H117 IonicContact OE2-CD2 2.92Å; V112-H117 WeakPolarHBondContact CA-O 3.5Å; Y113-H117 HydrophobicContact CD2-CB 4.38Å; Y113-H117 WeakPolarHBondContact CD2-O 3.42Å; Y113-H117 PolarHBondContact N-O 3.46Å; S115-H117 PolarHBondContact OG-CD2 3Å; S115-H117 VanDerWaalsContact OG-CD2 3.27Å; H117-R119 HydrophobicContact CB-CG 4.39Å; H117-R119 PolarHBondContact CD2-NH2 3.14Å; H117-T135 HydrophobicContact CB-CG2 4.08Å; H117-I136 CarbonylContact C-O 3.46Å; H117-I136 VanDerWaalsContact CA-O 3.3Å; H117-I136 WeakPolarHBondContact CA-O 3.24Å; H117-T137 PolarHBondContact CE1-OG1 2.99Å; H117-T137 VanDerWaalsContact CE1-OG1 3.27Å; H117-T137 PolarHBondContact ND1-OG1 2.76Å; H117-T137 VanDerWaalsContact ND1-OG1 3.09Å
118A98.5Very high90.5Very high2 Ų226.1 Ų26.12%0.01713%0.134CC..EExtended strand (participates in β ladder)trans-107.9125.6160.500000108.1V112 I136 I160 T174V112-A118 HydrophobicContact CG1-CB 3.93Å; A118-I136 HydrophobicContact CB-CB 4.36Å; A118-I136 PolarHBondContact N-O 3.08Å; A118-I136 PolarHBondContact O-N 3.13Å; A118-I160 HydrophobicContact CB-CD1 4.21Å; A118-T174 HydrophobicContact CB-CG2 4.22Å
119R98Very high89.8Confident12 Ų1226.7 Ų26.75%0.04514%0.142CC..EExtended strand (participates in β ladder)trans-123.2136.6-173.8-64.3-169179.998.4-4.3111.3E85 A111 Y113 H117 L132 A134 T135E85-R119 IonicContact OE2-CZ 3.89Å; E85-R119 VanDerWaalsContact OE2-CZ 3.26Å; E85-R119 IonicContact OE2-NH1 2.62Å; E85-R119 PolarHBondContact OE2-NH1 3.39Å; E85-R119 IonicContact OE2-NH2 3.67Å; E85-R119 PolarHBondContact OE2-NH2 3.01Å; A111-R119 PolarHBondContact N-O 2.83Å; A111-R119 PolarHBondContact O-N 2.83Å; Y113-R119 HydrophobicContact CD2-CG 4.34Å; Y113-R119 HydrophobicContact CE2-CB 4Å; Y113-R119 HydrophobicContact CE2-CG 3.89Å; H117-R119 HydrophobicContact CB-CG 4.39Å; H117-R119 PolarHBondContact CD2-NH2 3.14Å; R119-L132 HydrophobicContact CB-CD1 3.76Å; R119-L132 HydrophobicContact CG-CD1 4.08Å; R119-A134 WeakPolarHBondContact CA-O 3.4Å; R119-T135 HydrophobicContact CG-CG2 4.16Å
120L96.6Very high89.2Confident18 Ų1827.3 Ų27.39%0.09415%0.146CC..EExtended strand (participates in β ladder)trans-102.2119.6172.8-177.264.4000108.9I95 L108 L133 A134 M186I95-L120 HydrophobicContact CD1-CD1 3.35Å; I95-L120 HydrophobicContact CG1-CD1 4.49Å; L108-L120 HydrophobicContact CB-CD1 4.26Å; L120-L133 HydrophobicContact CB-CB 4.37Å; L120-L133 HydrophobicContact CD2-CB 4.22Å; L120-L133 HydrophobicContact CD2-CD1 3.98Å; L120-L133 HydrophobicContact CG-CB 4.19Å; L120-L133 HydrophobicContact CG-CD1 4.09Å; L120-L133 WeakPolarHBondContact O-CB 3.5Å; L120-L133 PolarHBondContact O-N 2.75Å; L120-A134 HydrophobicContact CB-CB 4.19Å; L120-A134 PolarHBondContact N-O 3.46Å; L120-A134 PolarHBondContact O-N 3.38Å; L120-M186 HydrophobicContact CD1-SD 4.42Å
121W95.1Very high88.8Confident9 Ų934.5 Ų34.53%0.03417%0.173CC..EExtended strand (participates in β ladder)trans-108.8141.2177.8-65.692.1000110.2L80 N81 A82 L108 I109 Y113 L132L80-W121 HydrophobicContact CB-CD2 4.18Å; L80-W121 HydrophobicContact CB-CE3 3.93Å; L80-W121 HydrophobicContact CB-CH2 4.26Å; L80-W121 HydrophobicContact CB-CZ2 4.46Å; L80-W121 HydrophobicContact CB-CZ3 3.97Å; L80-W121 HydrophobicContact CD1-CB 4.05Å; L80-W121 HydrophobicContact CD1-CD2 4.07Å; L80-W121 HydrophobicContact CD1-CE3 4.1Å; L80-W121 HydrophobicContact CD1-CG 4.06Å; L80-W121 HydrophobicContact CD2-CE3 4.4Å; L80-W121 HydrophobicContact CG-CE3 4.38Å; N81-W121 WeakPolarHBondContact O-CH2 3.3Å; A82-W121 HydrophobicContact CB-CH2 4.31Å; A82-W121 HydrophobicContact CB-CZ2 4.08Å; L108-W121 CarbonylContact C-O 3.47Å; L108-W121 VanDerWaalsContact CA-O 3.24Å; L108-W121 WeakPolarHBondContact CA-O 3.12Å; I109-W121 HydrophobicContact CB-CB 4.32Å; I109-W121 PolarHBondContact N-O 3.07Å; I109-W121 PolarHBondContact O-N 2.65Å; Y113-W121 PolarHBondContact OH-NE1 3.33Å; W121-L132 HydrophobicContact CD2-CB 4.44Å; W121-L132 HydrophobicContact CD2-CD1 4.01Å; W121-L132 HydrophobicContact CE3-CB 3.93Å; W121-L132 HydrophobicContact CE3-CD1 4.36Å; W121-L132 HydrophobicContact CH2-CB 3.82Å; W121-L132 HydrophobicContact CH2-CD1 4.18Å; W121-L132 HydrophobicContact CH2-CD2 4.39Å; W121-L132 HydrophobicContact CH2-CG 4.36Å; W121-L132 HydrophobicContact CZ2-CB 4.37Å; W121-L132 HydrophobicContact CZ2-CD1 3.86Å; W121-L132 HydrophobicContact CZ2-CG 4.49Å; W121-L132 HydrophobicContact CZ3-CB 3.6Å; W121-L132 HydrophobicContact CZ3-CD1 4.44Å
122H90.7Very high88.5Confident22 Ų2237.7 Ų37.710%0.10219%0.19CC..EExtended strand (participates in β ladder)trans-105.6134.9163.4170.2-114.2000108.6N105 H107 L108 T124 S130 R131 L133N105-H122 PolarHBondContact O-NE2 2.87Å; H107-H122 WeakPolarHBondContact O-CA 3.26Å; H107-H122 PolarHBondContact O-CD2 2.78Å; L108-H122 HydrophobicContact CD2-CB 3.88Å; H122-T124 WeakPolarHBondContact CE1-CG2 3.4Å; H122-S130 CarbonylContact O-C 3.55Å; H122-S130 WeakPolarHBondContact O-CA 3.46Å; H122-S130 WeakPolarHBondContact O-CB 3.39Å; H122-R131 HydrophobicContact CB-CG 4.28Å; H122-R131 PolarHBondContact N-O 3.2Å; H122-R131 PolarHBondContact O-N 3.08Å; H122-L133 HydrophobicContact CB-CD1 3.81Å; H122-L133 HydrophobicContact CB-CD2 3.93Å; H122-L133 HydrophobicContact CB-CG 3.82Å
123Y87.1Confident88.3Confident2 Ų240.2 Ų40.21%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-133.4148.9174.374.4-81.8000110.8S47 Y52 L64 H107 I109 S130S47-Y123 WeakPolarHBondContact CB-OH 3.16Å; Y52-Y123 HydrophobicContact CD2-CE2 4.01Å; Y52-Y123 HydrophobicContact CE2-CE2 4.47Å; L64-Y123 HydrophobicContact CD1-CD2 3.89Å; L64-Y123 HydrophobicContact CD1-CG 3.89Å; H107-Y123 HydrophobicContact CB-CD1 3.62Å; H107-Y123 HydrophobicContact CB-CD2 4.04Å; H107-Y123 HydrophobicContact CB-CE1 3.15Å; H107-Y123 HydrophobicContact CB-CE2 3.61Å; H107-Y123 HydrophobicContact CB-CG 4.04Å; H107-Y123 WeakPolarHBondContact CB-O 3.42Å; H107-Y123 WeakPolarHBondContact CB-OH 3.24Å; H107-Y123 AromaticContact CG-CE2 3.9Å; H107-Y123 AromaticContact CG-CZ 3.75Å; H107-Y123 WeakPolarHBondContact O-CD1 3.5Å; H107-Y123 PolarHBondContact O-N 2.87Å; I109-Y123 HydrophobicContact CD1-CD1 3.46Å; I109-Y123 VanDerWaalsContact CD1-CD1 3.46Å; I109-Y123 HydrophobicContact CD1-CE1 3.55Å; I109-Y123 HydrophobicContact CD1-CG 4.31Å; I109-Y123 HydrophobicContact CG1-CD1 3.77Å; I109-Y123 HydrophobicContact CG1-CE1 3.54Å; Y123-S130 WeakPolarHBondContact CB-OG 3.48Å
124T77.6Confident88.1Confident27 Ų2740.9 Ų40.917%0.16621%0.209CC..SBendtrans-12780.2176.562.60000107.4N105 H122 S129N105-T124 HydrophobicContact CB-CG2 4.15Å; N105-T124 WeakPolarHBondContact O-CG2 3.2Å; H122-T124 WeakPolarHBondContact CE1-CG2 3.4Å; T124-S129 WeakPolarHBondContact OG1-CB 3.34Å; T124-S129 PolarHBondContact OG1-OG 3.18Å
125G74.3Confident88.2Confident5 Ų542.5 Ų42.55%0.05222%0.219CC..SBendtrans58.1-165.6-164.900000114.3Y52 M127Y52-G125 WeakPolarHBondContact OH-CA 3.36Å; G125-M127 PolarHBondContact O-N 3.03Å
126A67.7Low88.2Confident28 Ų2843.2 Ų43.223%0.23122%0.221CC..SBendtrans-80.360178.500000111.8Y52Y52-A126 HydrophobicContact CD1-CB 4.47Å; Y52-A126 HydrophobicContact CE1-CB 4.12Å
127M72.8Confident88.2Confident120 Ų12046.9 Ų46.959%0.59124%0.244SC*.SBendtrans-130.4160.3-172.8-59.2-170-174.200114.1Y78 G125 S129 S130Y78-M127 WeakPolarHBondContact CD1-O 3.39Å; Y78-M127 VanDerWaalsContact CE1-O 3.26Å; Y78-M127 WeakPolarHBondContact CE1-O 3.26Å; G125-M127 PolarHBondContact O-N 3.03Å; M127-S129 PolarHBondContact O-N 2.99Å; M127-S130 PolarHBondContact O-N 3.14Å; M127-S130 VanDerWaalsContact O-N 3.14Å; M127-S130 PolarHBondContact O-OG 2.65Å
128K69.9Low88.2Confident161 Ų16145 Ų4570%0.724%0.235SC*.THydrogen-bonded Turntrans-59.2-14.5179.7-77.4-179178177.20115.9Y78 S130Y78-K128 HydrophobicContact CE2-CB 4.33Å; Y78-K128 HydrophobicContact CE2-CG 3.77Å; Y78-K128 WeakPolarHBondContact OH-CA 3.23Å; K128-S130 VanDerWaalsContact C-N 3.25Å
129S77Confident88Confident63 Ų6351.9 Ų51.944%0.44127%0.267SS..THydrogen-bonded Turntrans-76-12.5177.335.10000113.4T124 M127T124-S129 WeakPolarHBondContact OG1-CB 3.34Å; T124-S129 PolarHBondContact OG1-OG 3.18Å; M127-S129 PolarHBondContact O-N 2.99Å
130S83.8Confident87.9Confident13 Ų1353.7 Ų53.79%0.09127%0.274CS..  trans-63.2136.6175.5-47.90000111H122 Y123 M127 K128H122-S130 CarbonylContact O-C 3.55Å; H122-S130 WeakPolarHBondContact O-CA 3.46Å; H122-S130 WeakPolarHBondContact O-CB 3.39Å; Y123-S130 WeakPolarHBondContact CB-OG 3.48Å; M127-S130 PolarHBondContact O-N 3.14Å; M127-S130 VanDerWaalsContact O-N 3.14Å; M127-S130 PolarHBondContact O-OG 2.65Å; K128-S130 VanDerWaalsContact C-N 3.25Å
131R88.7Confident87.7Confident153 Ų15355.5 Ų55.558%0.57728%0.283SS*.EExtended strand (participates in β ladder)trans-147150.9-170.662.5-177.8177.8-176.20.8113H122 L133H122-R131 HydrophobicContact CB-CG 4.28Å; H122-R131 PolarHBondContact N-O 3.2Å; H122-R131 PolarHBondContact O-N 3.08Å; R131-L133 HydrophobicContact CG-CD2 4.05Å
132L93.8Very high87.5Confident67 Ų6759.2 Ų59.235%0.35131%0.31SS..EExtended strand (participates in β ladder)trans-74.5122.3170.1-177.558.1000109.5A82 R119 W121 A134A82-L132 HydrophobicContact CB-CD2 4.3Å; R119-L132 HydrophobicContact CB-CD1 3.76Å; R119-L132 HydrophobicContact CG-CD1 4.08Å; W121-L132 HydrophobicContact CD2-CB 4.44Å; W121-L132 HydrophobicContact CD2-CD1 4.01Å; W121-L132 HydrophobicContact CE3-CB 3.93Å; W121-L132 HydrophobicContact CE3-CD1 4.36Å; W121-L132 HydrophobicContact CH2-CB 3.82Å; W121-L132 HydrophobicContact CH2-CD1 4.18Å; W121-L132 HydrophobicContact CH2-CD2 4.39Å; W121-L132 HydrophobicContact CH2-CG 4.36Å; W121-L132 HydrophobicContact CZ2-CB 4.37Å; W121-L132 HydrophobicContact CZ2-CD1 3.86Å; W121-L132 HydrophobicContact CZ2-CG 4.49Å; W121-L132 HydrophobicContact CZ3-CB 3.6Å; W121-L132 HydrophobicContact CZ3-CD1 4.44Å; L132-A134 VanDerWaalsContact CD1-O 3.3Å; L132-A134 WeakPolarHBondContact CD1-O 3.22Å
133L93.2Very high87.4Confident53 Ų5358.7 Ų58.728%0.27731%0.308SS..EExtended strand (participates in β ladder)trans-93.7-33.5179.5-63.6-173.4000113.4L108 L120 H122 R131 R189L108-L133 HydrophobicContact CD2-CD1 3.59Å; L120-L133 HydrophobicContact CB-CB 4.37Å; L120-L133 HydrophobicContact CD2-CB 4.22Å; L120-L133 HydrophobicContact CD2-CD1 3.98Å; L120-L133 HydrophobicContact CG-CB 4.19Å; L120-L133 HydrophobicContact CG-CD1 4.09Å; L120-L133 WeakPolarHBondContact O-CB 3.5Å; L120-L133 PolarHBondContact O-N 2.75Å; H122-L133 HydrophobicContact CB-CD1 3.81Å; H122-L133 HydrophobicContact CB-CD2 3.93Å; H122-L133 HydrophobicContact CB-CG 3.82Å; R131-L133 HydrophobicContact CG-CD2 4.05Å; L133-R189 PolarHBondContact O-NH1 3.18Å; L133-R189 VanDerWaalsContact O-NH1 3.12Å
134A95.8Very high87.4Confident15 Ų1564 Ų6412%0.12434%0.343CS..EExtended strand (participates in β ladder)trans-158.9150.5-177.400000111.1R119 L120 L132R119-A134 WeakPolarHBondContact CA-O 3.4Å; L120-A134 HydrophobicContact CB-CB 4.19Å; L120-A134 PolarHBondContact N-O 3.46Å; L120-A134 PolarHBondContact O-N 3.38Å; L132-A134 VanDerWaalsContact CD1-O 3.3Å; L132-A134 WeakPolarHBondContact CD1-O 3.22Å
135T98.1Very high87.3Confident62 Ų6266.8 Ų66.838%0.3836%0.363SS..EExtended strand (participates in β ladder)trans-126.4128.8163.4-62.50000107.8H117 R119H117-T135 HydrophobicContact CB-CG2 4.08Å; R119-T135 HydrophobicContact CG-CG2 4.16Å
136I98.3Very high87.4Confident31 Ų3168.8 Ų68.816%0.15937%0.373CS..EExtended strand (participates in β ladder)trans-109.2138.2169.8-64.7161.2000106.5H117 A118 F172 Y184 R189H117-I136 CarbonylContact C-O 3.46Å; H117-I136 VanDerWaalsContact CA-O 3.3Å; H117-I136 WeakPolarHBondContact CA-O 3.24Å; A118-I136 HydrophobicContact CB-CB 4.36Å; A118-I136 PolarHBondContact N-O 3.08Å; A118-I136 PolarHBondContact O-N 3.13Å; I136-F172 HydrophobicContact CD1-CE1 4.42Å; I136-F172 HydrophobicContact CD1-CE2 4.41Å; I136-F172 HydrophobicContact CD1-CZ 3.55Å; I136-Y184 HydrophobicContact CD1-CD1 4.15Å; I136-Y184 HydrophobicContact CD1-CE1 4.38Å; I136-Y184 HydrophobicContact CG2-CE1 3.73Å; I136-R189 HydrophobicContact CD1-CB 4.23Å
137T97.7Very high87.7Confident77 Ų7771.3 Ų71.347%0.47239%0.394SS..EExtended strand (participates in β ladder)trans-117.4125.3-175.7-59.60000108.2G116 H117 M157G116-T137 WeakPolarHBondContact O-CA 3.31Å; H117-T137 PolarHBondContact CE1-OG1 2.99Å; H117-T137 VanDerWaalsContact CE1-OG1 3.27Å; H117-T137 PolarHBondContact ND1-OG1 2.76Å; H117-T137 VanDerWaalsContact ND1-OG1 3.09Å; T137-M157 HydrophobicContact CG2-CE 3.27Å; T137-M157 HydrophobicContact CG2-SD 4.31Å
138E97.6Very high87.4Confident4 Ų471.5 Ų71.52%0.01940%0.404CS..  trans-105.7108.4-179-68.9-174.8-164.500111.3G116 M157 N158 I160 T174 R182 Y184G116-E138 PolarHBondContact O-N 2.87Å; E138-M157 WeakPolarHBondContact O-CE 3.09Å; E138-N158 HydrophobicContact CB-CB 3.99Å; E138-N158 PolarHBondContact O-N 2.92Å; E138-N158 PolarHBondContact OE2-ND2 2.78Å; E138-I160 HydrophobicContact CB-CD1 4.21Å; E138-I160 HydrophobicContact CB-CG1 4.46Å; E138-I160 VanDerWaalsContact CD-CD1 3.46Å; E138-I160 HydrophobicContact CG-CD1 3.92Å; E138-I160 HydrophobicContact CG-CG1 4.5Å; E138-T174 VanDerWaalsContact OE1-CB 3.28Å; E138-T174 WeakPolarHBondContact OE1-CB 3.33Å; E138-T174 PolarHBondContact OE1-OG1 2.87Å; E138-R182 WeakPolarHBondContact OE2-CD 3.33Å; E138-R182 IonicContact OE2-CZ 3.52Å; E138-R182 IonicContact OE2-NE 3.77Å; E138-R182 IonicContact OE2-NH1 2.75Å; E138-Y184 WeakPolarHBondContact CG-OH 3.5Å; E138-Y184 PolarHBondContact OE1-OH 2.95Å
139E95.5Very high86.8Confident148 Ų14868.9 Ų68.969%0.69240%0.397SS*.BIsolated β-bridgetrans-73.3144.8167.4-65.2177.4179.600110.2I141 R182E139-I141 PolarHBondContact O-N 2.86Å; E139-R182 PolarHBondContact O-NH2 3.05Å
140R94.2Very high85.7Confident50 Ų5076 Ų7619%0.18941%0.414CS..PPolyproline II helixtrans-66.3129.5178.2-174174.3-170.1-78.2-5.9110.1D146 N155 M156 D178R140-D146 IonicContact CZ-OD1 3.55Å; R140-D146 IonicContact CZ-OD2 3.45Å; R140-D146 VanDerWaalsContact CZ-OD2 3.26Å; R140-D146 IonicContact NH1-OD2 3.61Å; R140-D146 PolarHBondContact NH1-OD2 3.4Å; R140-D146 IonicContact NH2-OD1 2.97Å; R140-D146 PolarHBondContact NH2-OD1 2.56Å; R140-D146 IonicContact NH2-OD2 2.83Å; R140-D146 PolarHBondContact NH2-OD2 3.43Å; R140-N155 WeakPolarHBondContact CD-O 3.12Å; R140-M156 WeakPolarHBondContact CB-O 3.23Å; R140-M156 PolarHBondContact N-O 3.36Å; R140-D178 HydrophobicContact CG-CB 3.88Å
141I93.9Very high84Confident56 Ų5682 Ų8229%0.28745%0.45SS..PPolyproline II helixtrans-93.6129.6168.3-60170.9000108.4E139 D178 H180 I194E139-I141 PolarHBondContact O-N 2.86Å; I141-D178 PolarHBondContact N-OD2 3.36Å; I141-H180 VanDerWaalsContact CG2-CE1 3.43Å; I141-H180 WeakPolarHBondContact CG2-CE1 3.48Å; I141-I194 HydrophobicContact CD1-CD1 3.8Å; I141-I194 HydrophobicContact CD1-CG2 4.47Å
142S90.1Very high82.4Confident87 Ų8779.7 Ų79.761%0.60845%0.45SS*.PPolyproline II helixtrans-76.9135.9178.255.90000111.9D146S142-D146 WeakPolarHBondContact CA-OD2 3.4Å
143N89.6Confident80.4Confident11 Ų1180.1 Ų80.16%0.05946%0.463CS..PPolyproline II helixtrans-100.1154.5177.1-63.5-36.1000111.8S145 D146 D178 H180 F199N143-S145 PolarHBondContact O-N 2.97Å; N143-S145 VanDerWaalsContact O-N 3.14Å; N143-D146 PolarHBondContact N-OD2 3.47Å; N143-D146 VanDerWaalsContact O-CB 3.3Å; N143-D146 WeakPolarHBondContact O-CB 3.31Å; N143-D146 PolarHBondContact O-N 3.4Å; N143-D178 PolarHBondContact ND2-O 3.19Å; N143-H180 PolarHBondContact OD1-CE1 2.9Å; N143-F199 HydrophobicContact CB-CE1 3.95Å; N143-F199 HydrophobicContact CB-CZ 4.03Å; N143-F199 VanDerWaalsContact CG-CZ 3.44Å; N143-F199 WeakPolarHBondContact OD1-CZ 2.96Å
144P85.6Confident78.5Confident112 Ų11285.5 Ų85.573%0.72749%0.487SS*.THydrogen-bonded Turntrans-57.7-28.6177.8-25.734.7000114.6F199P144-F199 HydrophobicContact CG-CB 4.08Å; P144-F199 HydrophobicContact CG-CG 4.27Å
145S75.6Confident77.3Confident86 Ų8687.3 Ų87.360%0.60149%0.494SS*.THydrogen-bonded Turntrans-86.9-4178.954.60000113.9N143 A147N143-S145 PolarHBondContact O-N 2.97Å; N143-S145 VanDerWaalsContact O-N 3.14Å; S145-A147 PolarHBondContact O-N 3.04Å
146D77.9Confident76.7Confident47 Ų4790.8 Ų90.825%0.25151%0.508SS..PPolyproline II helixtrans-64.6135.1-179.5-77.2-24.7000110.8R140 S142 N143R140-D146 IonicContact CZ-OD1 3.55Å; R140-D146 IonicContact CZ-OD2 3.45Å; R140-D146 VanDerWaalsContact CZ-OD2 3.26Å; R140-D146 IonicContact NH1-OD2 3.61Å; R140-D146 PolarHBondContact NH1-OD2 3.4Å; R140-D146 IonicContact NH2-OD1 2.97Å; R140-D146 PolarHBondContact NH2-OD1 2.56Å; R140-D146 IonicContact NH2-OD2 2.83Å; R140-D146 PolarHBondContact NH2-OD2 3.43Å; S142-D146 WeakPolarHBondContact CA-OD2 3.4Å; N143-D146 PolarHBondContact N-OD2 3.47Å; N143-D146 VanDerWaalsContact O-CB 3.3Å; N143-D146 WeakPolarHBondContact O-CB 3.31Å; N143-D146 PolarHBondContact O-N 3.4Å
147A72.7Confident76.5Confident81 Ų8191.8 Ų91.867%0.66951%0.512SS*.PPolyproline II helixtrans-59.8149.2163.800000109.4S145 L149S145-A147 PolarHBondContact O-N 3.04Å; A147-L149 PolarHBondContact O-N 3.05Å; A147-L149 VanDerWaalsContact O-N 3.15Å
148P66.1Low76.4Confident124 Ų12488.1 Ų88.181%0.80549%0.49SS*.PPolyproline II helixtrans-50.5126.3174.4-22.930.5000110.1R150P148-R150 PolarHBondContact O-N 2.88Å
149L57.2Low76.4Confident106 Ų10690.8 Ų90.856%0.55550%0.502SS*.PPolyproline II helixtrans-51.6117.5-175.6-68.2167.3000109.8A147 T151 N155A147-L149 PolarHBondContact O-N 3.05Å; A147-L149 VanDerWaalsContact O-N 3.15Å; L149-T151 PolarHBondContact O-N 2.85Å; L149-N155 VanDerWaalsContact CD2-ND2 3.29Å; L149-N155 WeakPolarHBondContact CD2-ND2 3.45Å
150R54.2Low76.6Confident212 Ų21283.8 Ų83.880%0.847%0.47SS*.PPolyproline II helixtrans-67.2125.5159.1-65.8-175.2178.7-139.30.1105.9P148 N152 N155P148-R150 PolarHBondContact O-N 2.88Å; R150-N152 PolarHBondContact O-N 2.92Å; R150-N155 PolarHBondContact O-ND2 3.07Å
151T49.3Very low76.8Confident139 Ų13982.7 Ų82.785%0.85347%0.467SS*.  trans-68.538.4-170.754.20000114.4L149L149-T151 PolarHBondContact O-N 2.85Å
152N53.8Low77Confident105 Ų10580 Ų8056%0.56145%0.454SS*.  trans-87.5132.1171.9-69.86.9000108.5R150 E154 N155R150-N152 PolarHBondContact O-N 2.92Å; N152-E154 PolarHBondContact O-N 2.79Å; N152-E154 VanDerWaalsContact O-N 3.15Å; N152-N155 WeakPolarHBondContact O-CB 3.27Å; N152-N155 PolarHBondContact O-N 2.94Å
153A53Low77.4Confident76 Ų7675.9 Ų75.963%0.62843%0.425SS*.G310 helixtrans-57.2-27.5179.900000113.5N155 M156A153-N155 PolarHBondContact O-N 3.39Å; A153-M156 PolarHBondContact O-N 3.49Å; A153-M156 VanDerWaalsContact O-N 3.12Å
154E53.7Low77.8Confident167 Ų16775.5 Ų75.578%0.7842%0.423SS*.G310 helixtrans-58-15.7172.2-66-178.1168.800113.7N152N152-E154 PolarHBondContact O-N 2.79Å; N152-E154 VanDerWaalsContact O-N 3.15Å
155N69Low78.4Confident52 Ų5270.1 Ų70.128%0.27839%0.388SS..G310 helixtrans-93.9-2.8-178.2-155.77.7000113.5R140 L149 R150 N152 A153R140-N155 WeakPolarHBondContact CD-O 3.12Å; L149-N155 VanDerWaalsContact CD2-ND2 3.29Å; L149-N155 WeakPolarHBondContact CD2-ND2 3.45Å; R150-N155 PolarHBondContact O-ND2 3.07Å; N152-N155 WeakPolarHBondContact O-CB 3.27Å; N152-N155 PolarHBondContact O-N 2.94Å; A153-N155 PolarHBondContact O-N 3.39Å
156M85.5Confident79.4Confident135 Ų13566 Ų6667%0.66536%0.36SS*.SBendtrans-85.9-24.7-179-65.7-175.1175.500113.3R140 A153R140-M156 WeakPolarHBondContact CB-O 3.23Å; R140-M156 PolarHBondContact N-O 3.36Å; A153-M156 PolarHBondContact O-N 3.49Å; A153-M156 VanDerWaalsContact O-N 3.12Å
157M94.3Very high80.1Confident52 Ų5267.7 Ų67.726%0.25636%0.363SS..BIsolated β-bridgetrans-96.1141.6-177.6-64.6-51.7-60.500111T137 E138 Q159T137-M157 HydrophobicContact CG2-CE 3.27Å; T137-M157 HydrophobicContact CG2-SD 4.31Å; E138-M157 WeakPolarHBondContact O-CE 3.09Å; M157-Q159 PolarHBondContact O-N 3.15Å
158N96.5Very high81Confident1 Ų164.9 Ų64.91%0.00534%0.336CS..  trans-74.2110.7167.2179.630.5000108.1G116 E138 I160 V177 D178 R182G116-N158 WeakPolarHBondContact CA-O 3.5Å; E138-N158 HydrophobicContact CB-CB 3.99Å; E138-N158 PolarHBondContact O-N 2.92Å; E138-N158 PolarHBondContact OE2-ND2 2.78Å; N158-I160 PolarHBondContact O-N 3.44Å; N158-V177 PolarHBondContact OD1-N 3.08Å; N158-D178 VanDerWaalsContact CG-CG 3.44Å; N158-D178 PolarHBondContact ND2-OD1 3.27Å; N158-D178 PolarHBondContact OD1-N 3.09Å; N158-D178 PolarHBondContact OD1-OD1 3.45Å; N158-R182 PolarHBondContact ND2-NH1 3Å
159Q97Very high82.2Confident60 Ų6059.6 Ų59.628%0.2830%0.304SS..  trans-66.7110.1171.2-49.7176.8-0.300108.1V114 M157 G176 V177V114-Q159 HydrophobicContact CG1-CB 4Å; V114-Q159 HydrophobicContact CG1-CG 3.92Å; V114-Q159 WeakPolarHBondContact O-CA 3.36Å; V114-Q159 WeakPolarHBondContact O-CB 3.47Å; V114-Q159 WeakPolarHBondContact O-CG 3.43Å; M157-Q159 PolarHBondContact O-N 3.15Å; Q159-G176 WeakPolarHBondContact O-CA 3.28Å; Q159-V177 HydrophobicContact CB-CB 4.5Å; Q159-V177 HydrophobicContact CB-CG2 3.66Å; Q159-V177 HydrophobicContact CG-CG2 4.21Å; Q159-V177 PolarHBondContact O-N 2.87Å; Q159-V177 VanDerWaalsContact O-N 3.13Å
160I98.6Very high83.9Confident0 Ų060.6 Ų60.60%030%0.304CS..EExtended strand (participates in β ladder)trans-79.7129179.9-51.7168.9000107.1S90 V112 Y113 A118 E138 N158 T174S90-I160 WeakPolarHBondContact CB-O 3.13Å; S90-I160 PolarHBondContact OG-O 3.04Å; V112-I160 HydrophobicContact CB-CB 4.01Å; V112-I160 HydrophobicContact CB-CG2 3.53Å; V112-I160 HydrophobicContact CG1-CG2 3.76Å; V112-I160 HydrophobicContact CG2-CG2 3.86Å; Y113-I160 CarbonylContact C-O 3.5Å; Y113-I160 PolarHBondContact O-N 3.39Å; A118-I160 HydrophobicContact CB-CD1 4.21Å; E138-I160 HydrophobicContact CB-CD1 4.21Å; E138-I160 HydrophobicContact CB-CG1 4.46Å; E138-I160 VanDerWaalsContact CD-CD1 3.46Å; E138-I160 HydrophobicContact CG-CD1 3.92Å; E138-I160 HydrophobicContact CG-CG1 4.5Å; N158-I160 PolarHBondContact O-N 3.44Å; I160-T174 HydrophobicContact CG2-CG2 4.34Å
161L98.7Very high85.9Confident27 Ų2751 Ų5114%0.14127%0.268CS..EExtended strand (participates in β ladder)trans-114.7-20.4-173.4-57.9176.2000112.7G175 V177 R210 I211L161-G175 PolarHBondContact N-O 2.78Å; L161-V177 HydrophobicContact CD1-CG2 4Å; L161-V177 HydrophobicContact CG-CG2 4.38Å; L161-R210 HydrophobicContact CD1-CB 4.05Å; L161-I211 WeakPolarHBondContact CB-O 3.42Å
162S98.7Very high88.2Confident0 Ų044.8 Ų44.80%023%0.229CC..EExtended strand (participates in β ladder)trans-152.4152.9-176.750.80000111.4G175 I211 C212 V214S162-G175 PolarHBondContact N-O 3.36Å; S162-G175 VanDerWaalsContact N-O 3.1Å; S162-G175 PolarHBondContact O-N 2.96Å; S162-G175 PolarHBondContact OG-O 3.47Å; S162-I211 PolarHBondContact OG-O 2.75Å; S162-C212 WeakPolarHBondContact CB-O 3.32Å; S162-V214 WeakPolarHBondContact OG-CG2 3.48Å
163C98.8Very high90.4Very high0 Ų039.8 Ų39.80%020%0.203CC..EExtended strand (participates in β ladder)trans-146.7160.3173.668.30000111.5D91 L110 V112 V173 T174D91-C163 PolarHBondContact OD2-N 2.8Å; L110-C163 HydrophobicContact CD2-CB 3.91Å; L110-C163 HydrophobicContact CG-CB 4.5Å; V112-C163 HydrophobicContact CB-CB 4.44Å; V112-C163 HydrophobicContact CG1-CB 3.6Å; V112-C163 HydrophobicContact CG2-CB 3.94Å; C163-V173 CarbonylContact C-O 3.57Å; C163-V173 WeakPolarHBondContact CA-O 3.35Å; C163-V173 WeakPolarHBondContact CB-O 3.1Å; C163-T174 HydrophobicContact CB-CG2 4.44Å
164S98.5Very high92.6Very high3 Ų336.1 Ų36.12%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-148.9145.1167.5-1640000112.5Q93 F172 V173 V214 Y216Q93-S164 VanDerWaalsContact OE1-CA 3.27Å; Q93-S164 PolarHBondContact OE1-OG 2.75Å; S164-F172 CarbonylContact O-C 3.56Å; S164-F172 WeakPolarHBondContact O-CA 3.33Å; S164-F172 WeakPolarHBondContact O-CB 3.43Å; S164-V173 PolarHBondContact N-O 2.86Å; S164-V173 PolarHBondContact O-N 2.81Å; S164-V214 WeakPolarHBondContact CB-O 3.32Å; S164-Y216 PolarHBondContact OG-N 2.85Å
165C97.5Very high94.7Very high0 Ų028.2 Ų28.20%014%0.135CC..EExtended strand (participates in β ladder)trans-97138.4173.1-62.30000110.2P96 M186P96-C165 HydrophobicContact CG-CB 4.38Å; C165-M186 HydrophobicContact CB-CE 4.41Å
166S96Very high96.1Very high0 Ų025.7 Ų25.70%012%0.122CC..  trans-66.7147.7171.465.20000110.4D168 G169 K170 R171 Y216S166-D168 VanDerWaalsContact C-N 3.25Å; S166-D168 VanDerWaalsContact CB-OD1 3.27Å; S166-D168 WeakPolarHBondContact CB-OD1 3.29Å; S166-D168 PolarHBondContact O-N 2.57Å; S166-D168 PolarHBondContact OG-OD1 3.05Å; S166-G169 WeakPolarHBondContact O-CA 3.46Å; S166-G169 PolarHBondContact O-N 2.79Å; S166-K170 PolarHBondContact OG-N 2.78Å; S166-R171 PolarHBondContact N-O 3.32Å; S166-R171 PolarHBondContact OG-N 3.49Å; S166-R171 PolarHBondContact OG-NH1 3.4Å; S166-R171 PolarHBondContact OG-O 2.88Å; S166-R171 VanDerWaalsContact OG-O 3.09Å; S166-Y216 VanDerWaalsContact N-CD2 3.3Å
167Y93.6Very high96.6Very high81 Ų8120.8 Ų20.832%0.31810%0.1SC..THydrogen-bonded Turntrans-72.5-17.4-176.5-78.5-92.7000114P96 G169 P218 A221P96-Y167 HydrophobicContact CB-CD1 4.34Å; P96-Y167 HydrophobicContact CG-CD1 4.24Å; Y167-G169 PolarHBondContact O-N 2.68Å; Y167-P218 HydrophobicContact CE1-CB 4.37Å; Y167-P218 VanDerWaalsContact CE2-CA 3.41Å; Y167-P218 HydrophobicContact CE2-CB 3.97Å; Y167-A221 HydrophobicContact CD1-CB 3.88Å; Y167-A221 HydrophobicContact CG-CB 4.06Å
168D91Very high96.7Very high22 Ų2218.3 Ų18.312%0.1189%0.088CC..THydrogen-bonded Turntrans-81.41.2167.770.5-4.6000113.1L98 S166 K170 R171L98-D168 WeakPolarHBondContact CD1-O 3.09Å; L98-D168 WeakPolarHBondContact CD2-O 3.41Å; S166-D168 VanDerWaalsContact C-N 3.25Å; S166-D168 VanDerWaalsContact CB-OD1 3.27Å; S166-D168 WeakPolarHBondContact CB-OD1 3.29Å; S166-D168 PolarHBondContact O-N 2.57Å; S166-D168 PolarHBondContact OG-OD1 3.05Å; D168-K170 PolarHBondContact O-N 3.29Å; D168-K170 PolarHBondContact OD1-N 2.92Å; D168-K170 WeakPolarHBondContact OD2-CD 3.35Å; D168-R171 VanDerWaalsContact CG-NH1 3.35Å; D168-R171 IonicContact OD1-CZ 3.26Å; D168-R171 IonicContact OD1-NH1 3.97Å; D168-R171 PolarHBondContact OD1-NH1 3.15Å; D168-R171 IonicContact OD1-NH2 2.95Å; D168-R171 IonicContact OD2-CZ 2.68Å; D168-R171 IonicContact OD2-NH1 3.89Å; D168-R171 PolarHBondContact OD2-NH1 3.06Å; D168-R171 VanDerWaalsContact OD2-NH1 3.15Å; D168-R171 IonicContact OD2-NH2 2.71Å; D168-R171 PolarHBondContact OD2-NH2 2.71Å
169G91.3Very high96.7Very high13 Ų1318.7 Ų18.713%0.1349%0.09CC..SBendtrans64.68.3178.500000115.5S166 Y167 M186S166-G169 WeakPolarHBondContact O-CA 3.46Å; S166-G169 PolarHBondContact O-N 2.79Å; Y167-G169 PolarHBondContact O-N 2.68Å; G169-M186 WeakPolarHBondContact O-CB 3.39Å; G169-M186 WeakPolarHBondContact O-CG 3.31Å
170K93.2Very high96.7Very high127 Ų12716.5 Ų16.555%0.5528%0.08SC*.SBendtrans-90.6-21.6-175.7-62.1177.7-170.1164.20113.5S166 D168 M186S166-K170 PolarHBondContact OG-N 2.78Å; D168-K170 PolarHBondContact O-N 3.29Å; D168-K170 PolarHBondContact OD1-N 2.92Å; D168-K170 WeakPolarHBondContact OD2-CD 3.35Å; K170-M186 WeakPolarHBondContact O-CB 3.37Å; K170-M186 PolarHBondContact O-N 3.31Å
171R96.1Very high96.7Very high12 Ų1216.5 Ų16.55%0.0458%0.08CC..EExtended strand (participates in β ladder)trans-134.7160.1-176.5-63.9165.6-68.6-22.726.4111.9S166 D168 V183 Y184 L192 V227 H228 D244S166-R171 PolarHBondContact N-O 3.32Å; S166-R171 PolarHBondContact OG-N 3.49Å; S166-R171 PolarHBondContact OG-NH1 3.4Å; S166-R171 PolarHBondContact OG-O 2.88Å; S166-R171 VanDerWaalsContact OG-O 3.09Å; D168-R171 VanDerWaalsContact CG-NH1 3.35Å; D168-R171 IonicContact OD1-CZ 3.26Å; D168-R171 IonicContact OD1-NH1 3.97Å; D168-R171 PolarHBondContact OD1-NH1 3.15Å; D168-R171 IonicContact OD1-NH2 2.95Å; D168-R171 IonicContact OD2-CZ 2.68Å; D168-R171 IonicContact OD2-NH1 3.89Å; D168-R171 PolarHBondContact OD2-NH1 3.06Å; D168-R171 VanDerWaalsContact OD2-NH1 3.15Å; D168-R171 IonicContact OD2-NH2 2.71Å; D168-R171 PolarHBondContact OD2-NH2 2.71Å; R171-V183 HydrophobicContact CB-CG1 4.49Å; R171-Y184 WeakPolarHBondContact CA-O 3.46Å; R171-Y184 WeakPolarHBondContact CB-O 3.2Å; R171-L192 HydrophobicContact CG-CD1 4.01Å; R171-V227 PolarHBondContact NH2-O 2.95Å; R171-V227 VanDerWaalsContact NH2-O 3.13Å; R171-H228 PolarHBondContact NE-ND1 3.13Å; R171-D244 WeakPolarHBondContact CD-OD2 3.16Å; R171-D244 IonicContact CZ-OD2 3.47Å; R171-D244 IonicContact NE-OD1 3.65Å; R171-D244 IonicContact NE-OD2 3.82Å; R171-D244 PolarHBondContact NE-OD2 3.31Å
172F98.1Very high96.7Very high7 Ų715.3 Ų15.33%0.0317%0.073CC..EExtended strand (participates in β ladder)trans-139.4159159.165.5-85.1000109.9L110 I136 S164 T174 Y184 M186L110-F172 HydrophobicContact CD1-CD2 4.06Å; L110-F172 HydrophobicContact CD1-CE2 4.16Å; L110-F172 HydrophobicContact CD1-CG 4.41Å; L110-F172 HydrophobicContact CD2-CB 3.57Å; L110-F172 HydrophobicContact CD2-CD2 3.61Å; L110-F172 HydrophobicContact CD2-CE2 4.49Å; L110-F172 HydrophobicContact CD2-CG 3.71Å; I136-F172 HydrophobicContact CD1-CE1 4.42Å; I136-F172 HydrophobicContact CD1-CE2 4.41Å; I136-F172 HydrophobicContact CD1-CZ 3.55Å; S164-F172 CarbonylContact O-C 3.56Å; S164-F172 WeakPolarHBondContact O-CA 3.33Å; S164-F172 WeakPolarHBondContact O-CB 3.43Å; F172-T174 HydrophobicContact CD2-CG2 4.13Å; F172-T174 HydrophobicContact CE2-CG2 4.1Å; F172-Y184 AromaticContact CD2-CD2 3.94Å; F172-Y184 HydrophobicContact CD2-CD2 3.94Å; F172-Y184 HydrophobicContact CD2-CG 4.4Å; F172-Y184 HydrophobicContact CE1-CG 4.12Å; F172-Y184 AromaticContact CE2-CD2 3.32Å; F172-Y184 HydrophobicContact CE2-CD2 3.32Å; F172-Y184 HydrophobicContact CE2-CE2 4.06Å; F172-Y184 AromaticContact CE2-CG 3.62Å; F172-Y184 HydrophobicContact CE2-CG 3.62Å; F172-Y184 HydrophobicContact CZ-CD1 4.15Å; F172-Y184 AromaticContact CZ-CD2 3.7Å; F172-Y184 HydrophobicContact CZ-CD2 3.7Å; F172-Y184 AromaticContact CZ-CG 3.44Å; F172-Y184 HydrophobicContact CZ-CG 3.44Å; F172-Y184 VanDerWaalsContact CZ-CG 3.44Å; F172-Y184 PolarHBondContact N-O 2.89Å; F172-Y184 PolarHBondContact O-N 3.35Å; F172-M186 HydrophobicContact CB-CE 3.8Å; F172-M186 HydrophobicContact CD1-CE 3.61Å; F172-M186 HydrophobicContact CD1-SD 3.71Å; F172-M186 HydrophobicContact CE1-SD 4.2Å; F172-M186 HydrophobicContact CG-CE 4.1Å
173V98.8Very high96.7Very high0 Ų015.3 Ų15.30%07%0.074CC..EExtended strand (participates in β ladder)trans-125.5144.1178.261.80000109.5C163 S164 L181 R182 V183 V214 Y216 F230C163-V173 CarbonylContact C-O 3.57Å; C163-V173 WeakPolarHBondContact CA-O 3.35Å; C163-V173 WeakPolarHBondContact CB-O 3.1Å; S164-V173 PolarHBondContact N-O 2.86Å; S164-V173 PolarHBondContact O-N 2.81Å; V173-L181 HydrophobicContact CG2-CB 4.13Å; V173-L181 HydrophobicContact CG2-CD2 4.01Å; V173-R182 VanDerWaalsContact CA-O 3.25Å; V173-R182 WeakPolarHBondContact CA-O 3.2Å; V173-V183 HydrophobicContact CG2-CG2 4.3Å; V173-V214 HydrophobicContact CB-CG1 4.41Å; V173-V214 HydrophobicContact CG1-CB 4.38Å; V173-V214 HydrophobicContact CG1-CG1 3.23Å; V173-V214 HydrophobicContact CG2-CG1 4.33Å; V173-Y216 HydrophobicContact CB-CE2 4.1Å; V173-Y216 HydrophobicContact CG1-CD2 4.06Å; V173-Y216 HydrophobicContact CG1-CE2 3.55Å; V173-F230 HydrophobicContact CG2-CE2 4.23Å; V173-F230 HydrophobicContact CG2-CZ 4.29Å
174T98.8Very high96.7Very high0 Ų015.7 Ų15.70%08%0.075CC..EExtended strand (participates in β ladder)trans-120.6147.3173.758.10000109.9V112 A118 E138 I160 C163 F172 L181 R182 Y184V112-T174 HydrophobicContact CG1-CG2 4.02Å; A118-T174 HydrophobicContact CB-CG2 4.22Å; E138-T174 VanDerWaalsContact OE1-CB 3.28Å; E138-T174 WeakPolarHBondContact OE1-CB 3.33Å; E138-T174 PolarHBondContact OE1-OG1 2.87Å; I160-T174 HydrophobicContact CG2-CG2 4.34Å; C163-T174 HydrophobicContact CB-CG2 4.44Å; F172-T174 HydrophobicContact CD2-CG2 4.13Å; F172-T174 HydrophobicContact CE2-CG2 4.1Å; T174-L181 VanDerWaalsContact O-CA 3.29Å; T174-L181 WeakPolarHBondContact O-CA 3.29Å; T174-R182 PolarHBondContact N-O 2.92Å; T174-R182 PolarHBondContact O-N 3.19Å; T174-Y184 HydrophobicContact CG2-CE2 4.32Å
175G98.7Very high96.6Very high0 Ų017.5 Ų17.50%09%0.085CC..EExtended strand (participates in β ladder)trans-136.5140.4175.600000110.7L161 S162L161-G175 PolarHBondContact N-O 2.78Å; S162-G175 PolarHBondContact N-O 3.36Å; S162-G175 VanDerWaalsContact N-O 3.1Å; S162-G175 PolarHBondContact O-N 2.96Å; S162-G175 PolarHBondContact OG-O 3.47Å
176G98.1Very high96.4Very high0 Ų018.4 Ų18.40%09%0.089CC..EExtended strand (participates in β ladder)trans-149.4-157.9-172.300000114.9Q159 D178 I211Q159-G176 WeakPolarHBondContact O-CA 3.28Å; G176-D178 VanDerWaalsContact C-N 3.33Å; G176-I211 PolarHBondContact O-N 3.26Å
177V96.4Very high96.2Very high32 Ų3227.4 Ų27.419%0.19413%0.128CC..THydrogen-bonded Turntrans-73.4-28.1-173.8176.20000113N158 Q159 L161 C179 R210N158-V177 PolarHBondContact OD1-N 3.08Å; Q159-V177 HydrophobicContact CB-CB 4.5Å; Q159-V177 HydrophobicContact CB-CG2 3.66Å; Q159-V177 HydrophobicContact CG-CG2 4.21Å; Q159-V177 PolarHBondContact O-N 2.87Å; Q159-V177 VanDerWaalsContact O-N 3.13Å; L161-V177 HydrophobicContact CD1-CG2 4Å; L161-V177 HydrophobicContact CG-CG2 4.38Å; V177-C179 PolarHBondContact O-N 2.84Å; V177-R210 HydrophobicContact CB-CG 4.44Å; V177-R210 HydrophobicContact CG1-CG 4.23Å; V177-R210 HydrophobicContact CG2-CG 4.28Å
178D96.1Very high96.3Very high0 Ų026.3 Ų26.30%013%0.132CC..THydrogen-bonded Turntrans-83.310.6-176.874.9-1.2000114.2R140 I141 N143 N158 G176 H180 R182R140-D178 HydrophobicContact CG-CB 3.88Å; I141-D178 PolarHBondContact N-OD2 3.36Å; N143-D178 PolarHBondContact ND2-O 3.19Å; N158-D178 VanDerWaalsContact CG-CG 3.44Å; N158-D178 PolarHBondContact ND2-OD1 3.27Å; N158-D178 PolarHBondContact OD1-N 3.09Å; N158-D178 PolarHBondContact OD1-OD1 3.45Å; G176-D178 VanDerWaalsContact C-N 3.33Å; D178-H180 PolarHBondContact O-N 3.25Å; D178-H180 VanDerWaalsContact O-N 3.09Å; D178-H180 PolarHBondContact O-ND1 2.92Å; D178-H180 PolarHBondContact OD1-N 2.9Å; D178-H180 IonicContact OD1-ND1 2.75Å; D178-R182 IonicContact OD1-CZ 3.04Å; D178-R182 IonicContact OD1-NH1 3.67Å; D178-R182 PolarHBondContact OD1-NH1 3.17Å; D178-R182 IonicContact OD1-NH2 2.65Å; D178-R182 IonicContact OD2-CZ 2.73Å; D178-R182 IonicContact OD2-NH1 3.15Å; D178-R182 PolarHBondContact OD2-NH1 2.85Å; D178-R182 IonicContact OD2-NH2 3.87Å; D178-R182 PolarHBondContact OD2-NH2 2.88Å
179C96.8Very high96.4Very high8 Ų830.7 Ų30.75%0.05415%0.147CC..SBendtrans683.9172.1-42.30000114.6V177 H207 V208 M209V177-C179 PolarHBondContact O-N 2.84Å; C179-H207 WeakPolarHBondContact CB-O 3.46Å; C179-V208 VanDerWaalsContact SG-C 3.52Å; C179-M209 WeakPolarHBondContact SG-CA 3.27Å; C179-M209 PolarHBondContact SG-N 3.25Å; C179-M209 PolarHBondContact SG-O 3Å; C179-M209 VanDerWaalsContact SG-O 3.36Å
180H97.7Very high96.7Very high14 Ų1437 Ų377%0.06517%0.171CC..  trans-100.3141.4177.3-64.881.4000110.7I141 N143 D178 R182 I194 S196I141-H180 VanDerWaalsContact CG2-CE1 3.43Å; I141-H180 WeakPolarHBondContact CG2-CE1 3.48Å; N143-H180 PolarHBondContact OD1-CE1 2.9Å; D178-H180 PolarHBondContact O-N 3.25Å; D178-H180 VanDerWaalsContact O-N 3.09Å; D178-H180 PolarHBondContact O-ND1 2.92Å; D178-H180 PolarHBondContact OD1-N 2.9Å; D178-H180 IonicContact OD1-ND1 2.75Å; H180-R182 PolarHBondContact O-NH1 3Å; H180-I194 HydrophobicContact CB-CG2 3.9Å; H180-S196 WeakPolarHBondContact CD2-CB 3.41Å
181L98.7Very high96.9Very high0 Ų037.9 Ų37.90%017%0.171CC..EExtended strand (participates in β ladder)trans-95.2136.2168.3-66.4154.8000108.7V173 T174 I194 C195 I211 V214 F230 T232 W242V173-L181 HydrophobicContact CG2-CB 4.13Å; V173-L181 HydrophobicContact CG2-CD2 4.01Å; T174-L181 VanDerWaalsContact O-CA 3.29Å; T174-L181 WeakPolarHBondContact O-CA 3.29Å; L181-I194 CarbonylContact O-C 3.52Å; L181-I194 VanDerWaalsContact O-CA 3.27Å; L181-I194 WeakPolarHBondContact O-CA 3.5Å; L181-C195 HydrophobicContact CB-CB 4.03Å; L181-C195 HydrophobicContact CD1-CB 4.26Å; L181-C195 PolarHBondContact N-O 2.97Å; L181-C195 PolarHBondContact O-N 3.09Å; L181-I211 HydrophobicContact CD1-CD1 4.4Å; L181-I211 HydrophobicContact CD2-CD1 3.71Å; L181-I211 HydrophobicContact CD2-CG2 4.19Å; L181-I211 HydrophobicContact CG-CD1 3.6Å; L181-V214 HydrophobicContact CD2-CG2 3.77Å; L181-F230 HydrophobicContact CD1-CE2 3.79Å; L181-F230 HydrophobicContact CD1-CZ 4.1Å; L181-F230 HydrophobicContact CD2-CE2 4.3Å; L181-T232 HydrophobicContact CD1-CG2 3.97Å; L181-T232 HydrophobicContact CD2-CG2 3.8Å; L181-W242 HydrophobicContact CD1-CD2 3.69Å; L181-W242 HydrophobicContact CD1-CE3 4.04Å; L181-W242 HydrophobicContact CD1-CG 4.27Å; L181-W242 HydrophobicContact CD1-CH2 3.84Å; L181-W242 HydrophobicContact CD1-CZ2 3.48Å; L181-W242 VanDerWaalsContact CD1-CZ2 3.48Å; L181-W242 HydrophobicContact CD1-CZ3 4.1Å
182R98.6Very high96.9Very high2 Ų241.7 Ų41.71%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-118.9122.2175.9-67.7148.4176.688.1-0.9109.6E138 E139 N158 V173 T174 D178 H180 Y184 I194E138-R182 WeakPolarHBondContact OE2-CD 3.33Å; E138-R182 IonicContact OE2-CZ 3.52Å; E138-R182 IonicContact OE2-NE 3.77Å; E138-R182 IonicContact OE2-NH1 2.75Å; E139-R182 PolarHBondContact O-NH2 3.05Å; N158-R182 PolarHBondContact ND2-NH1 3Å; V173-R182 VanDerWaalsContact CA-O 3.25Å; V173-R182 WeakPolarHBondContact CA-O 3.2Å; T174-R182 PolarHBondContact N-O 2.92Å; T174-R182 PolarHBondContact O-N 3.19Å; D178-R182 IonicContact OD1-CZ 3.04Å; D178-R182 IonicContact OD1-NH1 3.67Å; D178-R182 PolarHBondContact OD1-NH1 3.17Å; D178-R182 IonicContact OD1-NH2 2.65Å; D178-R182 IonicContact OD2-CZ 2.73Å; D178-R182 IonicContact OD2-NH1 3.15Å; D178-R182 PolarHBondContact OD2-NH1 2.85Å; D178-R182 IonicContact OD2-NH2 3.87Å; D178-R182 PolarHBondContact OD2-NH2 2.88Å; H180-R182 PolarHBondContact O-NH1 3Å; R182-Y184 HydrophobicContact CB-CD2 4.22Å; R182-Y184 HydrophobicContact CB-CE2 3.34Å; R182-Y184 WeakPolarHBondContact O-CD2 3.49Å; R182-Y184 WeakPolarHBondContact O-CE2 3.31Å; R182-I194 HydrophobicContact CG-CG1 4.26Å
183V98.5Very high96.7Very high1 Ų143.5 Ų43.51%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-97.7132.4178.5-175.40000107.9R171 V173 R191 L192 Q193 D244R171-V183 HydrophobicContact CB-CG1 4.49Å; V173-V183 HydrophobicContact CG2-CG2 4.3Å; V183-R191 CarbonylContact O-C 3.57Å; V183-R191 WeakPolarHBondContact O-CA 3.37Å; V183-L192 HydrophobicContact CG1-CB 4.42Å; V183-L192 HydrophobicContact CG1-CD1 4.4Å; V183-L192 PolarHBondContact O-N 3.24Å; V183-Q193 HydrophobicContact CB-CB 4.09Å; V183-Q193 HydrophobicContact CG2-CB 4.25Å; V183-Q193 PolarHBondContact N-O 3.15Å; V183-Q193 PolarHBondContact O-N 3.27Å; V183-D244 HydrophobicContact CG1-CB 3.91Å; V183-D244 HydrophobicContact CG2-CB 3.84Å
184Y98.3Very high96.5Very high7 Ų745.1 Ų45.13%0.02721%0.209CC..EExtended strand (participates in β ladder)trans-126.9145.9-178.3-63.9-94000110.9I136 E138 R171 F172 T174 R182 K190 R191I136-Y184 HydrophobicContact CD1-CD1 4.15Å; I136-Y184 HydrophobicContact CD1-CE1 4.38Å; I136-Y184 HydrophobicContact CG2-CE1 3.73Å; E138-Y184 WeakPolarHBondContact CG-OH 3.5Å; E138-Y184 PolarHBondContact OE1-OH 2.95Å; R171-Y184 WeakPolarHBondContact CA-O 3.46Å; R171-Y184 WeakPolarHBondContact CB-O 3.2Å; F172-Y184 AromaticContact CD2-CD2 3.94Å; F172-Y184 HydrophobicContact CD2-CD2 3.94Å; F172-Y184 HydrophobicContact CD2-CG 4.4Å; F172-Y184 HydrophobicContact CE1-CG 4.12Å; F172-Y184 AromaticContact CE2-CD2 3.32Å; F172-Y184 HydrophobicContact CE2-CD2 3.32Å; F172-Y184 HydrophobicContact CE2-CE2 4.06Å; F172-Y184 AromaticContact CE2-CG 3.62Å; F172-Y184 HydrophobicContact CE2-CG 3.62Å; F172-Y184 HydrophobicContact CZ-CD1 4.15Å; F172-Y184 AromaticContact CZ-CD2 3.7Å; F172-Y184 HydrophobicContact CZ-CD2 3.7Å; F172-Y184 AromaticContact CZ-CG 3.44Å; F172-Y184 HydrophobicContact CZ-CG 3.44Å; F172-Y184 VanDerWaalsContact CZ-CG 3.44Å; F172-Y184 PolarHBondContact N-O 2.89Å; F172-Y184 PolarHBondContact O-N 3.35Å; T174-Y184 HydrophobicContact CG2-CE2 4.32Å; R182-Y184 HydrophobicContact CB-CD2 4.22Å; R182-Y184 HydrophobicContact CB-CE2 3.34Å; R182-Y184 WeakPolarHBondContact O-CD2 3.49Å; R182-Y184 WeakPolarHBondContact O-CE2 3.31Å; Y184-K190 CarbonylContact C-O 3.53Å; Y184-K190 VanDerWaalsContact CA-O 3.31Å; Y184-K190 WeakPolarHBondContact CA-O 3.46Å; Y184-R191 HydrophobicContact CD1-CB 3.85Å; Y184-R191 HydrophobicContact CD1-CG 4.38Å; Y184-R191 HydrophobicContact CE1-CB 3.63Å; Y184-R191 HydrophobicContact CE1-CG 4.03Å
185D95.5Very high96.4Very high42 Ų4245.1 Ų45.123%0.22521%0.209CC..EExtended strand (participates in β ladder)trans-76.2126.1166176.8-98.3000109.4K187 S188 R189 K190 L192D185-K187 VanDerWaalsContact C-N 3.34Å; D185-K187 PolarHBondContact O-N 2.84Å; D185-K187 PolarHBondContact OD1-N 2.83Å; D185-S188 WeakPolarHBondContact CB-OG 3.38Å; D185-S188 VanDerWaalsContact CG-OG 3.3Å; D185-S188 WeakPolarHBondContact OD1-CA 3.46Å; D185-S188 WeakPolarHBondContact OD1-CB 3.28Å; D185-S188 PolarHBondContact OD1-N 3.04Å; D185-S188 PolarHBondContact OD1-OG 3.11Å; D185-R189 WeakPolarHBondContact O-CA 3.36Å; D185-R189 PolarHBondContact O-N 3.05Å; D185-K190 PolarHBondContact N-O 3.31Å; D185-L192 HydrophobicContact CB-CD1 3.93Å; D185-L192 HydrophobicContact CB-CD2 3.98Å; D185-L192 HydrophobicContact CB-CG 3.96Å
186M93.4Very high96.2Very high18 Ų1845.9 Ų45.99%0.08921%0.214CC..THydrogen-bonded Turntrans-64.6-37.6-173.4-173.76278.100112.4I95 L120 C165 G169 K170 F172I95-M186 HydrophobicContact CD1-CE 3.52Å; I95-M186 HydrophobicContact CD1-CG 4.31Å; I95-M186 HydrophobicContact CD1-SD 3.45Å; I95-M186 WeakPolarHBondContact CD1-SD 3.26Å; I95-M186 HydrophobicContact CG1-CE 4.07Å; I95-M186 HydrophobicContact CG2-CE 4.18Å; L120-M186 HydrophobicContact CD1-SD 4.42Å; C165-M186 HydrophobicContact CB-CE 4.41Å; G169-M186 WeakPolarHBondContact O-CB 3.39Å; G169-M186 WeakPolarHBondContact O-CG 3.31Å; K170-M186 WeakPolarHBondContact O-CB 3.37Å; K170-M186 PolarHBondContact O-N 3.31Å; F172-M186 HydrophobicContact CB-CE 3.8Å; F172-M186 HydrophobicContact CD1-CE 3.61Å; F172-M186 HydrophobicContact CD1-SD 3.71Å; F172-M186 HydrophobicContact CE1-SD 4.2Å; F172-M186 HydrophobicContact CG-CE 4.1Å
187K92.3Very high95.9Very high189 Ų18946.1 Ų46.182%0.82222%0.215SC*.THydrogen-bonded Turntrans-80-53.7-173.7-177178.8179.6-179.20112D185D185-K187 VanDerWaalsContact C-N 3.34Å; D185-K187 PolarHBondContact O-N 2.84Å; D185-K187 PolarHBondContact OD1-N 2.83Å
188S95.1Very high95.6Very high59 Ų5946.5 Ų46.541%0.41322%0.219SC..THydrogen-bonded Turntrans-81.8-17.1-177.870.30000113.1D185 K190D185-S188 WeakPolarHBondContact CB-OG 3.38Å; D185-S188 VanDerWaalsContact CG-OG 3.3Å; D185-S188 WeakPolarHBondContact OD1-CA 3.46Å; D185-S188 WeakPolarHBondContact OD1-CB 3.28Å; D185-S188 PolarHBondContact OD1-N 3.04Å; D185-S188 PolarHBondContact OD1-OG 3.11Å; S188-K190 PolarHBondContact O-N 3.34Å; S188-K190 PolarHBondContact OG-N 3.3Å
189R94.8Very high95.2Very high113 Ų11348.9 Ų48.943%0.42623%0.23SC..  trans6415.1-180-51.2147.8-169.4-161.3-3.7113L133 I136 D185L133-R189 PolarHBondContact O-NH1 3.18Å; L133-R189 VanDerWaalsContact O-NH1 3.12Å; I136-R189 HydrophobicContact CD1-CB 4.23Å; D185-R189 WeakPolarHBondContact O-CA 3.36Å; D185-R189 PolarHBondContact O-N 3.05Å
190K96.6Very high94.6Very high146 Ų14651.6 Ų51.664%0.63525%0.246SC*.  trans-79.7139.7177.4-68.8-176175.7-177.20109.6Y184 D185 S188 L192Y184-K190 CarbonylContact C-O 3.53Å; Y184-K190 VanDerWaalsContact CA-O 3.31Å; Y184-K190 WeakPolarHBondContact CA-O 3.46Å; D185-K190 PolarHBondContact N-O 3.31Å; S188-K190 PolarHBondContact O-N 3.34Å; S188-K190 PolarHBondContact OG-N 3.3Å; K190-L192 PolarHBondContact O-N 2.89Å
191R97.4Very high93.8Very high146 Ų14660.7 Ų60.755%0.55129%0.285SS*.EExtended strand (participates in β ladder)trans-68.7119167.8-171.5174.664.4-147.20.8108.6V183 Y184 I194V183-R191 CarbonylContact O-C 3.57Å; V183-R191 WeakPolarHBondContact O-CA 3.37Å; Y184-R191 HydrophobicContact CD1-CB 3.85Å; Y184-R191 HydrophobicContact CD1-CG 4.38Å; Y184-R191 HydrophobicContact CE1-CB 3.63Å; Y184-R191 HydrophobicContact CE1-CG 4.03Å; R191-I194 HydrophobicContact CG-CG1 4.5Å
192L95.7Very high92.9Very high91 Ų9168.1 Ų68.148%0.47632%0.32SS..EExtended strand (participates in β ladder)trans-85.6-42.4178.7-64.6177.3000111.4R171 V183 D185 K190R171-L192 HydrophobicContact CG-CD1 4.01Å; V183-L192 HydrophobicContact CG1-CB 4.42Å; V183-L192 HydrophobicContact CG1-CD1 4.4Å; V183-L192 PolarHBondContact O-N 3.24Å; D185-L192 HydrophobicContact CB-CD1 3.93Å; D185-L192 HydrophobicContact CB-CD2 3.98Å; D185-L192 HydrophobicContact CB-CG 3.96Å; K190-L192 PolarHBondContact O-N 2.89Å
193Q94.3Very high92.1Very high46 Ų4670.6 Ų70.622%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-150.5155.2-173-174.558.2-78.400111.2V183V183-Q193 HydrophobicContact CB-CB 4.09Å; V183-Q193 HydrophobicContact CG2-CB 4.25Å; V183-Q193 PolarHBondContact N-O 3.15Å; V183-Q193 PolarHBondContact O-N 3.27Å
194I95.8Very high91.5Very high34 Ų3472.6 Ų72.617%0.17434%0.341CS..EExtended strand (participates in β ladder)trans-117.7110.3162-58.8-180000106.9I141 H180 L181 R182 R191 L247I141-I194 HydrophobicContact CD1-CD1 3.8Å; I141-I194 HydrophobicContact CD1-CG2 4.47Å; H180-I194 HydrophobicContact CB-CG2 3.9Å; L181-I194 CarbonylContact O-C 3.52Å; L181-I194 VanDerWaalsContact O-CA 3.27Å; L181-I194 WeakPolarHBondContact O-CA 3.5Å; R182-I194 HydrophobicContact CG-CG1 4.26Å; R191-I194 HydrophobicContact CG-CG1 4.5Å; I194-L247 WeakPolarHBondContact O-CD1 3.41Å
195C95.2Very high91.1Very high0 Ų072.5 Ų72.50%034%0.341CS..EExtended strand (participates in β ladder)trans-90.4135174.3-41.80000108.9L181 W242 Y246 L247L181-C195 HydrophobicContact CB-CB 4.03Å; L181-C195 HydrophobicContact CD1-CB 4.26Å; L181-C195 PolarHBondContact N-O 2.97Å; L181-C195 PolarHBondContact O-N 3.09Å; C195-W242 HydrophobicContact CB-CE3 3.73Å; C195-W242 HydrophobicContact CB-CH2 4.44Å; C195-W242 HydrophobicContact CB-CZ3 3.55Å; C195-Y246 PolarHBondContact SG-O 2.94Å; C195-L247 CarbonylContact C-O 3.55Å; C195-L247 WeakPolarHBondContact CA-O 3.32Å
196S94.1Very high91Very high16 Ų1670.5 Ų70.511%0.11233%0.33CS..  trans-157.7166.5-172.559.50000112.6H180 L247 H248H180-S196 WeakPolarHBondContact CD2-CB 3.41Å; S196-L247 PolarHBondContact N-O 3.01Å; S196-H248 PolarHBondContact O-ND1 2.61Å
197S92.1Very high91.1Very high4 Ų469.7 Ų69.73%0.02833%0.326CS..  trans-66.4147.9170.5-1740000110.5F199S197-F199 WeakPolarHBondContact O-CD2 3.49Å; S197-F199 WeakPolarHBondContact O-CE2 3.48Å; S197-F199 PolarHBondContact O-N 2.92Å; S197-F199 PolarHBondContact OG-N 2.96Å
198S89.6Confident91.2Very high40 Ų4062.9 Ų62.928%0.2830%0.3SS..  trans-64-14.3161.862.50000112.4T200 D205S198-T200 PolarHBondContact O-N 3.08Å; S198-T200 VanDerWaalsContact O-N 3.13Å; S198-T200 WeakPolarHBondContact OG-CG2 3.36Å; S198-T200 PolarHBondContact OG-OG1 2.77Å; S198-D205 VanDerWaalsContact CB-OD1 3.29Å; S198-D205 WeakPolarHBondContact CB-OD1 3.39Å; S198-D205 PolarHBondContact N-OD1 2.83Å; S198-D205 PolarHBondContact OG-OD1 2.83Å; S198-D205 PolarHBondContact OG-OD2 3.01Å
199F87.7Confident91.2Very high51 Ų5163.9 Ų63.922%0.22430%0.299CS..  trans54.424.2-173.2-61.5-80.8000113.3N143 P144 S197 V208N143-F199 HydrophobicContact CB-CE1 3.95Å; N143-F199 HydrophobicContact CB-CZ 4.03Å; N143-F199 VanDerWaalsContact CG-CZ 3.44Å; N143-F199 WeakPolarHBondContact OD1-CZ 2.96Å; P144-F199 HydrophobicContact CG-CB 4.08Å; P144-F199 HydrophobicContact CG-CG 4.27Å; S197-F199 WeakPolarHBondContact O-CD2 3.49Å; S197-F199 WeakPolarHBondContact O-CE2 3.48Å; S197-F199 PolarHBondContact O-N 2.92Å; S197-F199 PolarHBondContact OG-N 2.96Å; F199-V208 HydrophobicContact CD1-CG1 4.1Å; F199-V208 HydrophobicContact CE1-CG1 4.24Å
200T85.1Confident91.3Very high64 Ų6461.7 Ų61.739%0.39329%0.291SS..  trans-79.9154.8174640000110.2S198 E202S198-T200 PolarHBondContact O-N 3.08Å; S198-T200 VanDerWaalsContact O-N 3.13Å; S198-T200 WeakPolarHBondContact OG-CG2 3.36Å; S198-T200 PolarHBondContact OG-OG1 2.77Å; T200-E202 VanDerWaalsContact C-N 3.31Å; T200-E202 WeakPolarHBondContact CB-OE2 3.34Å
201K80.9Confident91.4Very high205 Ų20554.7 Ų54.789%0.89126%0.261SS*.SBendtrans-82.8-19176.9-70-176.5-179.9178.40111.8
202E80.3Confident91.5Very high157 Ų15748.1 Ų48.173%0.73424%0.237SC*.SBendtrans-83.7-23-172.4-6169.2-150.200111.8T200T200-E202 VanDerWaalsContact C-N 3.31Å; T200-E202 WeakPolarHBondContact CB-OE2 3.34Å
203K80.6Confident91.6Very high53 Ų5343.8 Ų43.823%0.2321%0.214CC..  trans-142.9135.8-173-167.4-176.1175.6-145.80111.8D205K203-D205 HydrophobicContact CD-CB 3.85Å; K203-D205 WeakPolarHBondContact CD-OD2 3.48Å; K203-D205 VanDerWaalsContact CE-CB 3.49Å; K203-D205 WeakPolarHBondContact CE-OD2 3.5Å; K203-D205 HydrophobicContact CG-CB 3.97Å; K203-D205 IonicContact NZ-OD2 3.71Å; K203-D205 PolarHBondContact NZ-OD2 2.81Å
204M87.2Confident91.8Very high44 Ų4441.6 Ų41.622%0.21720%0.204CC..  trans-99.394.6167.4-1766973.500108.4V208 T238 I252 Y254M204-V208 HydrophobicContact CE-CG2 4.21Å; M204-V208 HydrophobicContact SD-CG1 4.39Å; M204-V208 HydrophobicContact SD-CG2 4.34Å; M204-T238 HydrophobicContact CG-CG2 4.41Å; M204-I252 HydrophobicContact CB-CD1 3.6Å; M204-I252 HydrophobicContact CG-CD1 3.43Å; M204-I252 VanDerWaalsContact CG-CD1 3.43Å; M204-Y254 WeakPolarHBondContact CB-OH 3.46Å
205D89.3Confident92Very high5 Ų541.1 Ų41.13%0.02720%0.201CC..  trans-128.527.4-177.767.1-10.2000113.5S198 K203 H248 S249S198-D205 VanDerWaalsContact CB-OD1 3.29Å; S198-D205 WeakPolarHBondContact CB-OD1 3.39Å; S198-D205 PolarHBondContact N-OD1 2.83Å; S198-D205 PolarHBondContact OG-OD1 2.83Å; S198-D205 PolarHBondContact OG-OD2 3.01Å; K203-D205 HydrophobicContact CD-CB 3.85Å; K203-D205 WeakPolarHBondContact CD-OD2 3.48Å; K203-D205 VanDerWaalsContact CE-CB 3.49Å; K203-D205 WeakPolarHBondContact CE-OD2 3.5Å; K203-D205 HydrophobicContact CG-CB 3.97Å; K203-D205 IonicContact NZ-OD2 3.71Å; K203-D205 PolarHBondContact NZ-OD2 2.81Å; D205-H248 HydrophobicContact CB-CB 4.03Å; D205-H248 CarbonylContact O-C 3.39Å; D205-H248 WeakPolarHBondContact O-CA 3.11Å; D205-H248 WeakPolarHBondContact O-CB 3.45Å; D205-H248 IonicContact OD2-CD2 3.78Å; D205-H248 IonicContact OD2-CG 3.33Å; D205-H248 IonicContact OD2-ND1 2.69Å; D205-S249 VanDerWaalsContact CA-OG 3.27Å; D205-S249 WeakPolarHBondContact CA-OG 3.34Å; D205-S249 PolarHBondContact O-N 3.42Å; D205-S249 PolarHBondContact O-OG 2.74Å
206G93.4Very high92.1Very high0 Ų041.3 Ų41.30%020%0.202CC..SBendtrans178.517317100000110Q240 W242 S249G206-Q240 PolarHBondContact O-NE2 3.24Å; G206-W242 VanDerWaalsContact CA-CH2 3.46Å; G206-S249 PolarHBondContact N-OG 3.43Å
207H95.7Very high92.3Very high0 Ų040.6 Ų40.60%020%0.197CC..  trans-73.6141.2178.5-77-67.2000111.3C179 I211 T232 D236 Q240C179-H207 WeakPolarHBondContact CB-O 3.46Å; H207-I211 HydrophobicContact CB-CD1 4.03Å; H207-I211 HydrophobicContact CB-CG1 3.81Å; H207-T232 PolarHBondContact CD2-OG1 3.01Å; H207-T232 WeakPolarHBondContact NE2-CB 3.27Å; H207-T232 PolarHBondContact NE2-OG1 3.03Å; H207-D236 WeakPolarHBondContact CA-OD2 3.29Å; H207-D236 WeakPolarHBondContact CB-OD2 3.14Å; H207-D236 IonicContact CE1-OD1 3.86Å; H207-D236 IonicContact CE1-OD2 3.8Å; H207-D236 IonicContact CG-OD2 2.72Å; H207-D236 VanDerWaalsContact ND1-CG 3.29Å; H207-D236 IonicContact ND1-OD1 3.78Å; H207-D236 PolarHBondContact ND1-OD1 3.17Å; H207-D236 IonicContact ND1-OD2 3.68Å; H207-D236 PolarHBondContact ND1-OD2 2.83Å; H207-Q240 PolarHBondContact ND1-NE2 2.94Å
208V94.8Very high92.5Very high46 Ų4641.2 Ų41.228%0.27920%0.2SC..SBendtrans-116.71.9174.8-62.40000112.1C179 F199 M204 D236C179-V208 VanDerWaalsContact SG-C 3.52Å; F199-V208 HydrophobicContact CD1-CG1 4.1Å; F199-V208 HydrophobicContact CE1-CG1 4.24Å; M204-V208 HydrophobicContact CE-CG2 4.21Å; M204-V208 HydrophobicContact SD-CG1 4.39Å; M204-V208 HydrophobicContact SD-CG2 4.34Å; V208-D236 HydrophobicContact CG2-CB 3.9Å; V208-D236 PolarHBondContact N-OD2 3.01Å
209M95.7Very high92.8Very high80 Ų8041.6 Ų41.639%0.39420%0.196SC..SBendtrans-136.9-179.9171.8-61.1-173.575.600110.7C179 I211 W235 D236C179-M209 WeakPolarHBondContact SG-CA 3.27Å; C179-M209 PolarHBondContact SG-N 3.25Å; C179-M209 PolarHBondContact SG-O 3Å; C179-M209 VanDerWaalsContact SG-O 3.36Å; M209-I211 PolarHBondContact O-N 2.9Å; M209-W235 HydrophobicContact CB-CB 3.86Å; M209-W235 HydrophobicContact CE-CB 4.01Å; M209-W235 HydrophobicContact CE-CE3 4.36Å; M209-W235 HydrophobicContact SD-CB 4.21Å; M209-W235 VanDerWaalsContact SD-O 3.34Å; M209-D236 HydrophobicContact CB-CB 4.03Å; M209-D236 HydrophobicContact CG-CB 4.03Å; M209-D236 HydrophobicContact SD-CB 4.35Å
210R96.4Very high93.2Very high67 Ų6739.4 Ų39.425%0.25319%0.187SC..  trans-51.9132.4-177.3-52.7175.971.5131.28.1111.2L161 V177 G234 W235L161-R210 HydrophobicContact CD1-CB 4.05Å; V177-R210 HydrophobicContact CB-CG 4.44Å; V177-R210 HydrophobicContact CG1-CG 4.23Å; V177-R210 HydrophobicContact CG2-CG 4.28Å; R210-G234 WeakPolarHBondContact O-CA 3.48Å; R210-W235 HydrophobicContact CB-CG 4.45Å; R210-W235 HydrophobicContact CG-CE3 4.49Å; R210-W235 PolarHBondContact O-N 2.87Å; R210-W235 VanDerWaalsContact O-N 3.13Å
211I98.7Very high93.5Very high0 Ų039.3 Ų39.30%019%0.193CC..EExtended strand (participates in β ladder)trans-91.8112.4175.4-50.8-179.3000108.2L161 S162 G176 L181 H207 M209 V214L161-I211 WeakPolarHBondContact CB-O 3.42Å; S162-I211 PolarHBondContact OG-O 2.75Å; G176-I211 PolarHBondContact O-N 3.26Å; L181-I211 HydrophobicContact CD1-CD1 4.4Å; L181-I211 HydrophobicContact CD2-CD1 3.71Å; L181-I211 HydrophobicContact CD2-CG2 4.19Å; L181-I211 HydrophobicContact CG-CD1 3.6Å; H207-I211 HydrophobicContact CB-CD1 4.03Å; H207-I211 HydrophobicContact CB-CG1 3.81Å; M209-I211 PolarHBondContact O-N 2.9Å; I211-V214 HydrophobicContact CG2-CG2 3.82Å
212C98.5Very high94.1Very high8 Ų835.1 Ų35.15%0.05419%0.185CC..EExtended strand (participates in β ladder)trans-104.6-17-172.6-72.20000113.9S162 G233 G260 S261S162-C212 WeakPolarHBondContact CB-O 3.32Å; C212-G233 PolarHBondContact N-O 3.33Å; C212-G260 CarbonylContact O-C 3.52Å; C212-S261 WeakPolarHBondContact O-CA 3.4Å; C212-S261 PolarHBondContact O-N 2.97Å
213A98.8Very high94.8Very high0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-141.4139.8175.800000110.6T232 G233 I258 L264A213-T232 CarbonylContact O-C 3.51Å; A213-T232 WeakPolarHBondContact O-CA 3.37Å; A213-G233 PolarHBondContact N-O 3.01Å; A213-G233 PolarHBondContact O-N 3.31Å; A213-I258 HydrophobicContact CB-CG2 3.88Å; A213-L264 HydrophobicContact CB-CB 3.73Å; A213-L264 HydrophobicContact CB-CD2 4.21Å
214V98.8Very high95.3Very high0 Ų039.5 Ų39.50%020%0.201CC..EExtended strand (participates in β ladder)trans-139.7135.3171.4-175.40000108.1S162 S164 V173 L181 I211 F230 I231 T232S162-V214 WeakPolarHBondContact OG-CG2 3.48Å; S164-V214 WeakPolarHBondContact CB-O 3.32Å; V173-V214 HydrophobicContact CB-CG1 4.41Å; V173-V214 HydrophobicContact CG1-CB 4.38Å; V173-V214 HydrophobicContact CG1-CG1 3.23Å; V173-V214 HydrophobicContact CG2-CG1 4.33Å; L181-V214 HydrophobicContact CD2-CG2 3.77Å; I211-V214 HydrophobicContact CG2-CG2 3.82Å; V214-F230 HydrophobicContact CG1-CD2 3.87Å; V214-F230 HydrophobicContact CG1-CE2 4.35Å; V214-I231 CarbonylContact C-O 3.48Å; V214-I231 WeakPolarHBondContact CA-O 3.42Å; V214-T232 HydrophobicContact CB-CG2 4.29Å; V214-T232 HydrophobicContact CG1-CG2 3.94Å; V214-T232 HydrophobicContact CG2-CG2 3.89Å
215K98.6Very high95.5Very high24 Ų2442.3 Ų42.310%0.10422%0.217CC..EExtended strand (participates in β ladder)trans-144118.7177.5-58.5-65.4171.4-138.70110.5F230 I231 S261 L264K215-F230 CarbonylContact O-C 3.59Å; K215-F230 VanDerWaalsContact O-CA 3.26Å; K215-F230 WeakPolarHBondContact O-CA 3.47Å; K215-F230 VanDerWaalsContact O-CB 3.31Å; K215-F230 WeakPolarHBondContact O-CB 3.29Å; K215-I231 HydrophobicContact CB-CG1 4.01Å; K215-I231 PolarHBondContact N-O 2.62Å; K215-I231 PolarHBondContact O-N 3.32Å; K215-S261 WeakPolarHBondContact CE-O 3.34Å; K215-S261 PolarHBondContact NZ-O 2.95Å; K215-L264 WeakPolarHBondContact CE-O 3.46Å
216Y98.5Very high95.8Very high4 Ų442.4 Ų42.42%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-61148.9163.5-87.4-83.4000110.6S164 S166 V173 I229 F230 D244S164-Y216 PolarHBondContact OG-N 2.85Å; S166-Y216 VanDerWaalsContact N-CD2 3.3Å; V173-Y216 HydrophobicContact CB-CE2 4.1Å; V173-Y216 HydrophobicContact CG1-CD2 4.06Å; V173-Y216 HydrophobicContact CG1-CE2 3.55Å; Y216-I229 WeakPolarHBondContact CD1-O 3.42Å; Y216-F230 HydrophobicContact CD1-CB 3.88Å; Y216-F230 HydrophobicContact CE1-CB 4.27Å; Y216-F230 HydrophobicContact CE1-CD1 4.09Å; Y216-F230 HydrophobicContact CG-CB 4.03Å; Y216-D244 PolarHBondContact OH-OD2 2.81Å
217H98Very high95.9Very high1 Ų143.5 Ų43.51%0.00522%0.223CC..  trans-72.4123.9-177.6-162.7-53.7000110.6R219 G220 Y226 I229 I266 N271 F290H217-R219 VanDerWaalsContact C-N 3.29Å; H217-R219 WeakPolarHBondContact ND1-CB 3.35Å; H217-R219 PolarHBondContact ND1-N 2.81Å; H217-R219 PolarHBondContact O-N 2.79Å; H217-G220 PolarHBondContact O-N 2.83Å; H217-Y226 HydrophobicContact CB-CD1 4.23Å; H217-Y226 AromaticContact CD2-CD1 3.48Å; H217-Y226 VanDerWaalsContact CD2-CD1 3.48Å; H217-Y226 WeakPolarHBondContact CD2-CD1 3.33Å; H217-Y226 AromaticContact CD2-CE1 3.68Å; H217-Y226 AromaticContact CE1-CD1 3.63Å; H217-Y226 AromaticContact CE1-CE1 3.62Å; H217-Y226 AromaticContact CG-CD1 3.5Å; H217-Y226 AromaticContact ND1-CD1 3.57Å; H217-Y226 AromaticContact NE2-CD1 3.55Å; H217-Y226 AromaticContact NE2-CE1 3.34Å; H217-Y226 VanDerWaalsContact NE2-CE1 3.34Å; H217-Y226 WeakPolarHBondContact NE2-CE1 3.41Å; H217-I229 HydrophobicContact CB-CB 4.02Å; H217-I229 HydrophobicContact CB-CG2 3.93Å; H217-I229 VanDerWaalsContact CB-O 3.28Å; H217-I229 WeakPolarHBondContact CB-O 3.14Å; H217-I229 PolarHBondContact N-O 3.49Å; H217-I266 WeakPolarHBondContact CD2-CD1 3.34Å; H217-I266 WeakPolarHBondContact NE2-CD1 3.24Å; H217-N271 PolarHBondContact CE1-OD1 3.35Å; H217-N271 PolarHBondContact NE2-OD1 3.19Å; H217-F290 AromaticContact CD2-CD2 3.92Å; H217-F290 AromaticContact CD2-CE2 3.61Å; H217-F290 AromaticContact CD2-CZ 3.84Å; H217-F290 AromaticContact NE2-CD2 3.86Å; H217-F290 AromaticContact NE2-CE2 3.99Å; H217-F290 AromaticContact NE2-CG 3.93Å
218P95.8Very high95.9Very high17 Ų1745.4 Ų45.411%0.1123%0.232CC..G310 helixtrans-67.5-26.7-173.527-37.2000113.8Y167 G220 A221 I266Y167-P218 HydrophobicContact CE1-CB 4.37Å; Y167-P218 VanDerWaalsContact CE2-CA 3.41Å; Y167-P218 HydrophobicContact CE2-CB 3.97Å; P218-G220 PolarHBondContact O-N 2.88Å; P218-G220 VanDerWaalsContact O-N 3.15Å; P218-A221 VanDerWaalsContact O-CB 3.29Å; P218-A221 WeakPolarHBondContact O-CB 3.39Å; P218-A221 PolarHBondContact O-N 2.79Å; P218-I266 HydrophobicContact CG-CG2 4.14Å
219R96.4Very high96Very high47 Ų4743.2 Ų43.218%0.17722%0.219CC..G310 helixtrans-54.4-24.9166.6-71.9-175.5175.6-160.3-7.3113.9H217 A221 V222 Y223 Y226 S268 E269 N271 E292H217-R219 VanDerWaalsContact C-N 3.29Å; H217-R219 WeakPolarHBondContact ND1-CB 3.35Å; H217-R219 PolarHBondContact ND1-N 2.81Å; H217-R219 PolarHBondContact O-N 2.79Å; R219-A221 PolarHBondContact O-N 3.45Å; R219-A221 VanDerWaalsContact O-N 3.09Å; R219-V222 PolarHBondContact O-N 3.36Å; R219-Y223 HydrophobicContact CB-CD2 3.86Å; R219-Y223 HydrophobicContact CG-CD2 4.2Å; R219-Y223 HydrophobicContact CG-CE2 4.42Å; R219-Y223 WeakPolarHBondContact O-CD2 3.4Å; R219-Y223 PolarHBondContact O-N 3.36Å; R219-Y226 HydrophobicContact CB-CD1 3.92Å; R219-Y226 HydrophobicContact CB-CD2 4.09Å; R219-Y226 HydrophobicContact CB-CE1 4.36Å; R219-Y226 HydrophobicContact CB-CG 3.74Å; R219-Y226 PolarHBondContact NH1-OH 3.38Å; R219-S268 WeakPolarHBondContact CG-O 3.41Å; R219-S268 PolarHBondContact NE-O 3.17Å; R219-S268 PolarHBondContact NH2-O 2.9Å; R219-E269 PolarHBondContact NH2-O 2.99Å; R219-N271 VanDerWaalsContact CZ-CG 3.49Å; R219-N271 PolarHBondContact NE-OD1 3Å; R219-N271 PolarHBondContact NH1-ND2 3.05Å; R219-E292 IonicContact NH1-OE1 3.74Å
220G95.8Very high96.2Very high5 Ų539.4 Ų39.45%0.05220%0.2CC..G310 helixtrans-63.4-9.2173.300000114.3H217 P218 V222 V227H217-G220 PolarHBondContact O-N 2.83Å; P218-G220 PolarHBondContact O-N 2.88Å; P218-G220 VanDerWaalsContact O-N 3.15Å; G220-V222 VanDerWaalsContact C-N 3.26Å; G220-V227 WeakPolarHBondContact O-CG1 3.44Å
221A92.4Very high96.3Very high62 Ų6236.2 Ų36.251%0.51219%0.188SC..G310 helixtrans-70.6-22.6168.700000113.1Y167 P218 R219Y167-A221 HydrophobicContact CD1-CB 3.88Å; Y167-A221 HydrophobicContact CG-CB 4.06Å; P218-A221 VanDerWaalsContact O-CB 3.29Å; P218-A221 WeakPolarHBondContact O-CB 3.39Å; P218-A221 PolarHBondContact O-N 2.79Å; R219-A221 PolarHBondContact O-N 3.45Å; R219-A221 VanDerWaalsContact O-N 3.09Å
222V92.9Very high96.3Very high118 Ų11836.2 Ų36.272%0.71519%0.188SC*.THydrogen-bonded Turntrans-126.3-41-171.6-178.90000112R219 G220R219-V222 PolarHBondContact O-N 3.36Å; G220-V222 VanDerWaalsContact C-N 3.26Å
223Y93.7Very high96.3Very high137 Ų13735.8 Ų35.854%0.53719%0.186SC..  trans-105.6122.9-173-57.6-78.5000110.9R219 D225 Y226R219-Y223 HydrophobicContact CB-CD2 3.86Å; R219-Y223 HydrophobicContact CG-CD2 4.2Å; R219-Y223 HydrophobicContact CG-CE2 4.42Å; R219-Y223 WeakPolarHBondContact O-CD2 3.4Å; R219-Y223 PolarHBondContact O-N 3.36Å; Y223-D225 VanDerWaalsContact C-N 3.32Å; Y223-D225 PolarHBondContact O-N 3.32Å; Y223-Y226 PolarHBondContact O-N 2.76Å
224E91.5Very high96.2Very high164 Ų16435.8 Ų35.877%0.76619%0.186SC*.G310 helixtrans-59.8-39-176.1-171.5166.7-171.300112.8Y226 V227E224-Y226 PolarHBondContact O-N 3.07Å; E224-V227 WeakPolarHBondContact O-CG1 3.47Å; E224-V227 WeakPolarHBondContact O-CG2 3.25Å; E224-V227 PolarHBondContact O-N 3.28Å; E224-V227 VanDerWaalsContact O-N 3.11Å
225D91.8Very high96.1Very high103 Ų10339.8 Ų39.855%0.55120%0.201SC*.G310 helixtrans-63.3-18.5-178.8-60.3-31.4000114Y223 M295 Y299Y223-D225 VanDerWaalsContact C-N 3.32Å; Y223-D225 PolarHBondContact O-N 3.32Å; D225-M295 HydrophobicContact CB-CE 4.31Å; D225-Y299 PolarHBondContact O-OH 2.86Å; D225-Y299 VanDerWaalsContact O-OH 3.14Å
226Y95.9Very high95.9Very high7 Ų739.5 Ų39.53%0.02720%0.2CC..G310 helixtrans-98.7-7.3-178.8-74.9-93000113.7H217 R219 Y223 E224 H228 I229 N271 F290 E292 M295H217-Y226 HydrophobicContact CB-CD1 4.23Å; H217-Y226 AromaticContact CD2-CD1 3.48Å; H217-Y226 VanDerWaalsContact CD2-CD1 3.48Å; H217-Y226 WeakPolarHBondContact CD2-CD1 3.33Å; H217-Y226 AromaticContact CD2-CE1 3.68Å; H217-Y226 AromaticContact CE1-CD1 3.63Å; H217-Y226 AromaticContact CE1-CE1 3.62Å; H217-Y226 AromaticContact CG-CD1 3.5Å; H217-Y226 AromaticContact ND1-CD1 3.57Å; H217-Y226 AromaticContact NE2-CD1 3.55Å; H217-Y226 AromaticContact NE2-CE1 3.34Å; H217-Y226 VanDerWaalsContact NE2-CE1 3.34Å; H217-Y226 WeakPolarHBondContact NE2-CE1 3.41Å; R219-Y226 HydrophobicContact CB-CD1 3.92Å; R219-Y226 HydrophobicContact CB-CD2 4.09Å; R219-Y226 HydrophobicContact CB-CE1 4.36Å; R219-Y226 HydrophobicContact CB-CG 3.74Å; R219-Y226 PolarHBondContact NH1-OH 3.38Å; Y223-Y226 PolarHBondContact O-N 2.76Å; E224-Y226 PolarHBondContact O-N 3.07Å; Y226-H228 PolarHBondContact O-N 2.76Å; Y226-I229 PolarHBondContact O-N 3.03Å; Y226-N271 PolarHBondContact OH-ND2 2.85Å; Y226-F290 HydrophobicContact CE1-CD1 4.43Å; Y226-F290 HydrophobicContact CE1-CE1 4.01Å; Y226-E292 PolarHBondContact OH-OE1 3.4Å; Y226-M295 HydrophobicContact CE1-SD 4.23Å; Y226-M295 HydrophobicContact CE2-CE 4.16Å
227V95.4Very high95.7Very high23 Ų2341.2 Ų41.214%0.13921%0.21CC..THydrogen-bonded Turntrans-65.1-24.2-172.3-57.80000113.4R171 G220 E224R171-V227 PolarHBondContact NH2-O 2.95Å; R171-V227 VanDerWaalsContact NH2-O 3.13Å; G220-V227 WeakPolarHBondContact O-CG1 3.44Å; E224-V227 WeakPolarHBondContact O-CG1 3.47Å; E224-V227 WeakPolarHBondContact O-CG2 3.25Å; E224-V227 PolarHBondContact O-N 3.28Å; E224-V227 VanDerWaalsContact O-N 3.11Å
228H95.3Very high95.5Very high40 Ų4041.1 Ų41.119%0.18521%0.209CC..THydrogen-bonded Turntrans-100.5-7.2177.6-66.3-76.6000113R171 Y226 D243 D244R171-H228 PolarHBondContact NE-ND1 3.13Å; Y226-H228 PolarHBondContact O-N 2.76Å; H228-D243 WeakPolarHBondContact CB-OD1 3.19Å; H228-D243 WeakPolarHBondContact O-CA 3.48Å; H228-D244 IonicContact CE1-OD1 3.88Å; H228-D244 IonicContact CG-OD1 2.83Å; H228-D244 IonicContact CG-OD2 3.07Å; H228-D244 VanDerWaalsContact ND1-CG 3.29Å; H228-D244 IonicContact ND1-OD1 2.77Å; H228-D244 PolarHBondContact ND1-OD1 3.13Å; H228-D244 IonicContact ND1-OD2 2.69Å; H228-D244 PolarHBondContact ND1-OD2 3.04Å; H228-D244 VanDerWaalsContact ND1-OD2 3.16Å; H228-D244 PolarHBondContact O-N 2.83Å
229I97.8Very high95.6Very high0 Ų040.3 Ų40.30%020%0.204CC..EExtended strand (participates in β ladder)trans-82.8132.8-175-60.1-58.9000110Y216 H217 Y226 I241 W242 D243 L250 F290 M295 Y299Y216-I229 WeakPolarHBondContact CD1-O 3.42Å; H217-I229 HydrophobicContact CB-CB 4.02Å; H217-I229 HydrophobicContact CB-CG2 3.93Å; H217-I229 VanDerWaalsContact CB-O 3.28Å; H217-I229 WeakPolarHBondContact CB-O 3.14Å; H217-I229 PolarHBondContact N-O 3.49Å; Y226-I229 PolarHBondContact O-N 3.03Å; I229-I241 HydrophobicContact CG2-CG2 4.33Å; I229-W242 WeakPolarHBondContact CA-O 3.38Å; I229-D243 HydrophobicContact CD1-CB 3.96Å; I229-L250 HydrophobicContact CD1-CD1 4.09Å; I229-F290 HydrophobicContact CG2-CE2 4.05Å; I229-F290 HydrophobicContact CG2-CZ 3.69Å; I229-M295 HydrophobicContact CD1-CG 4.5Å; I229-M295 HydrophobicContact CD1-SD 4.41Å; I229-M295 HydrophobicContact CG1-SD 4.18Å; I229-Y299 WeakPolarHBondContact CD1-OH 3.37Å
230F98.6Very high95.5Very high0 Ų038.1 Ų38.10%020%0.196CC..EExtended strand (participates in β ladder)trans-145.9160.417267.5-86.7000111.4V173 L181 V214 K215 Y216 T232 W242 D244V173-F230 HydrophobicContact CG2-CE2 4.23Å; V173-F230 HydrophobicContact CG2-CZ 4.29Å; L181-F230 HydrophobicContact CD1-CE2 3.79Å; L181-F230 HydrophobicContact CD1-CZ 4.1Å; L181-F230 HydrophobicContact CD2-CE2 4.3Å; V214-F230 HydrophobicContact CG1-CD2 3.87Å; V214-F230 HydrophobicContact CG1-CE2 4.35Å; K215-F230 CarbonylContact O-C 3.59Å; K215-F230 VanDerWaalsContact O-CA 3.26Å; K215-F230 WeakPolarHBondContact O-CA 3.47Å; K215-F230 VanDerWaalsContact O-CB 3.31Å; K215-F230 WeakPolarHBondContact O-CB 3.29Å; Y216-F230 HydrophobicContact CD1-CB 3.88Å; Y216-F230 HydrophobicContact CE1-CB 4.27Å; Y216-F230 HydrophobicContact CE1-CD1 4.09Å; Y216-F230 HydrophobicContact CG-CB 4.03Å; F230-T232 HydrophobicContact CD2-CG2 3.69Å; F230-T232 HydrophobicContact CE2-CG2 3.6Å; F230-W242 HydrophobicContact CD1-CB 3.82Å; F230-W242 HydrophobicContact CD2-CB 3.88Å; F230-W242 AromaticContact CD2-CD1 4Å; F230-W242 HydrophobicContact CD2-CG 4.13Å; F230-W242 HydrophobicContact CE1-CB 3.38Å; F230-W242 HydrophobicContact CE1-CG 4.26Å; F230-W242 HydrophobicContact CE2-CB 3.48Å; F230-W242 VanDerWaalsContact CE2-CB 3.48Å; F230-W242 AromaticContact CE2-CD1 3.62Å; F230-W242 HydrophobicContact CE2-CD2 4.26Å; F230-W242 AromaticContact CE2-CG 3.51Å; F230-W242 HydrophobicContact CE2-CG 3.51Å; F230-W242 HydrophobicContact CG-CB 4.05Å; F230-W242 HydrophobicContact CZ-CB 3.21Å; F230-W242 HydrophobicContact CZ-CD2 4.19Å; F230-W242 AromaticContact CZ-CG 3.59Å; F230-W242 HydrophobicContact CZ-CG 3.59Å; F230-W242 PolarHBondContact N-O 2.85Å; F230-W242 PolarHBondContact O-N 3.17Å; F230-D244 HydrophobicContact CD1-CB 4.14Å; F230-D244 HydrophobicContact CE1-CB 3.68Å
231I98.6Very high95.5Very high0 Ų037.9 Ų37.90%019%0.193CC..EExtended strand (participates in β ladder)trans-117.8150.9177.568.3172.4000110.2V214 K215 Q240 I241 L264 I266 I273 F290V214-I231 CarbonylContact C-O 3.48Å; V214-I231 WeakPolarHBondContact CA-O 3.42Å; K215-I231 HydrophobicContact CB-CG1 4.01Å; K215-I231 PolarHBondContact N-O 2.62Å; K215-I231 PolarHBondContact O-N 3.32Å; I231-Q240 CarbonylContact C-O 3.59Å; I231-Q240 VanDerWaalsContact CA-O 3.3Å; I231-Q240 WeakPolarHBondContact CA-O 3.25Å; I231-I241 HydrophobicContact CB-CD1 4.16Å; I231-I241 HydrophobicContact CG2-CD1 3.65Å; I231-I241 HydrophobicContact CG2-CG2 4.41Å; I231-L264 HydrophobicContact CD1-CD1 4.08Å; I231-L264 HydrophobicContact CD1-CD2 3.98Å; I231-L264 HydrophobicContact CD1-CG 3.81Å; I231-L264 HydrophobicContact CG1-CD2 3.99Å; I231-L264 HydrophobicContact CG1-CG 4.33Å; I231-I266 HydrophobicContact CD1-CB 3.91Å; I231-I266 HydrophobicContact CD1-CG2 4.04Å; I231-I273 HydrophobicContact CD1-CG1 4.16Å; I231-I273 HydrophobicContact CD1-CG2 3.82Å; I231-I273 HydrophobicContact CG2-CD1 4.32Å; I231-F290 HydrophobicContact CG2-CE2 4.23Å
232T98.8Very high95.7Very high0 Ų035 Ų350%017%0.169CC..EExtended strand (participates in β ladder)trans-137.4158.8178.563.60000111.2L181 H207 A213 V214 F230 I239 Q240 W242L181-T232 HydrophobicContact CD1-CG2 3.97Å; L181-T232 HydrophobicContact CD2-CG2 3.8Å; H207-T232 PolarHBondContact CD2-OG1 3.01Å; H207-T232 WeakPolarHBondContact NE2-CB 3.27Å; H207-T232 PolarHBondContact NE2-OG1 3.03Å; A213-T232 CarbonylContact O-C 3.51Å; A213-T232 WeakPolarHBondContact O-CA 3.37Å; V214-T232 HydrophobicContact CB-CG2 4.29Å; V214-T232 HydrophobicContact CG1-CG2 3.94Å; V214-T232 HydrophobicContact CG2-CG2 3.89Å; F230-T232 HydrophobicContact CD2-CG2 3.69Å; F230-T232 HydrophobicContact CE2-CG2 3.6Å; T232-I239 CarbonylContact O-C 3.59Å; T232-I239 VanDerWaalsContact O-CA 3.26Å; T232-I239 WeakPolarHBondContact O-CA 3.37Å; T232-Q240 PolarHBondContact N-O 2.9Å; T232-Q240 PolarHBondContact O-N 3.1Å; T232-W242 PolarHBondContact OG1-NE1 2.76Å
233G98.4Very high95.7Very high0 Ų029.3 Ų29.30%014%0.135CC..EExtended strand (participates in β ladder)trans-148.2147176.900000111.1C212 A213 T238C212-G233 PolarHBondContact N-O 3.33Å; A213-G233 PolarHBondContact N-O 3.01Å; A213-G233 PolarHBondContact O-N 3.31Å; G233-T238 WeakPolarHBondContact CA-O 3.47Å
234G97.2Very high95.8Very high0 Ų023.1 Ų23.10%011%0.111CC..EExtended strand (participates in β ladder)trans-155.7-163.8-177.100000114.3R210 D236 I258R210-G234 WeakPolarHBondContact O-CA 3.48Å; G234-D236 VanDerWaalsContact C-N 3.28Å; G234-D236 PolarHBondContact O-N 3.3Å; G234-I258 CarbonylContact C-O 3.54Å; G234-I258 PolarHBondContact O-N 3.33Å; G234-I258 VanDerWaalsContact O-N 3.08Å
235W96.7Very high95.8Very high84 Ų8418 Ų1832%0.3189%0.085SC..THydrogen-bonded Turntrans-80.9-6-176.2-76.716.9000114.5M209 R210 D237 H257M209-W235 HydrophobicContact CB-CB 3.86Å; M209-W235 HydrophobicContact CE-CB 4.01Å; M209-W235 HydrophobicContact CE-CE3 4.36Å; M209-W235 HydrophobicContact SD-CB 4.21Å; M209-W235 VanDerWaalsContact SD-O 3.34Å; R210-W235 HydrophobicContact CB-CG 4.45Å; R210-W235 HydrophobicContact CG-CE3 4.49Å; R210-W235 PolarHBondContact O-N 2.87Å; R210-W235 VanDerWaalsContact O-N 3.13Å; W235-D237 PolarHBondContact O-N 3.04Å; W235-H257 VanDerWaalsContact CA-CE1 3.42Å; W235-H257 WeakPolarHBondContact CA-CE1 3.27Å; W235-H257 AromaticContact CD1-NE2 3.45Å; W235-H257 AromaticContact CD2-NE2 3.82Å; W235-H257 AromaticContact CG-CE1 3.71Å; W235-H257 AromaticContact CG-NE2 3.43Å; W235-H257 AromaticContact NE1-NE2 3.83Å; W235-H257 PolarHBondContact O-CE1 2.87Å; W235-H257 PolarHBondContact O-ND1 2.95Å
236D94.7Very high95.6Very high18 Ų1813.8 Ų13.810%0.0966%0.061CC..THydrogen-bonded Turntrans-83.713176.752.523000113.2H207 V208 M209 G234 T238H207-D236 WeakPolarHBondContact CA-OD2 3.29Å; H207-D236 WeakPolarHBondContact CB-OD2 3.14Å; H207-D236 IonicContact CE1-OD1 3.86Å; H207-D236 IonicContact CE1-OD2 3.8Å; H207-D236 IonicContact CG-OD2 2.72Å; H207-D236 VanDerWaalsContact ND1-CG 3.29Å; H207-D236 IonicContact ND1-OD1 3.78Å; H207-D236 PolarHBondContact ND1-OD1 3.17Å; H207-D236 IonicContact ND1-OD2 3.68Å; H207-D236 PolarHBondContact ND1-OD2 2.83Å; V208-D236 HydrophobicContact CG2-CB 3.9Å; V208-D236 PolarHBondContact N-OD2 3.01Å; M209-D236 HydrophobicContact CB-CB 4.03Å; M209-D236 HydrophobicContact CG-CB 4.03Å; M209-D236 HydrophobicContact SD-CB 4.35Å; G234-D236 VanDerWaalsContact C-N 3.28Å; G234-D236 PolarHBondContact O-N 3.3Å; D236-T238 PolarHBondContact O-N 3.41Å; D236-T238 PolarHBondContact OD1-N 3.13Å; D236-T238 PolarHBondContact OD1-OG1 3.48Å
237D94.4Very high95.3Very high39 Ų3917.2 Ų17.221%0.2098%0.08CC..SBendtrans62.830.3176.4-50.8-34000113W235 G255 P256 H257 R279W235-D237 PolarHBondContact O-N 3.04Å; D237-G255 PolarHBondContact O-N 2.94Å; D237-P256 CarbonylContact C-O 3.54Å; D237-P256 WeakPolarHBondContact CA-O 3.2Å; D237-H257 VanDerWaalsContact OD1-CB 3.24Å; D237-H257 WeakPolarHBondContact OD1-CB 3.36Å; D237-H257 IonicContact OD1-CE1 3.72Å; D237-H257 IonicContact OD1-CG 2.87Å; D237-H257 IonicContact OD1-ND1 3.78Å; D237-H257 PolarHBondContact OD1-ND1 2.72Å; D237-R279 IonicContact OD1-CZ 3.12Å; D237-R279 IonicContact OD1-NE 3.53Å; D237-R279 IonicContact OD1-NH1 2.7Å; D237-R279 IonicContact OD1-NH2 3.01Å; D237-R279 PolarHBondContact OD1-NH2 3.07Å; D237-R279 IonicContact OD2-CZ 2.8Å; D237-R279 IonicContact OD2-NH1 3.32Å; D237-R279 PolarHBondContact OD2-NH1 3.37Å; D237-R279 IonicContact OD2-NH2 3.33Å; D237-R279 PolarHBondContact OD2-NH2 3.05Å
238T93.9Very high95.1Very high0 Ų018.8 Ų18.80%09%0.085CC..EExtended strand (participates in β ladder)trans-125.3144.4179.368.10000113.4M204 G233 D236 Q240 Y253 Y254M204-T238 HydrophobicContact CG-CG2 4.41Å; G233-T238 WeakPolarHBondContact CA-O 3.47Å; D236-T238 PolarHBondContact O-N 3.41Å; D236-T238 PolarHBondContact OD1-N 3.13Å; D236-T238 PolarHBondContact OD1-OG1 3.48Å; T238-Q240 WeakPolarHBondContact OG1-CG 3.19Å; T238-Q240 PolarHBondContact OG1-NE2 2.94Å; T238-Y253 CarbonylContact C-O 3.52Å; T238-Y253 WeakPolarHBondContact CA-O 3.15Å; T238-Y254 HydrophobicContact CG2-CD1 4.06Å; T238-Y254 HydrophobicContact CG2-CE1 4.11Å
239I96.5Very high94.9Very high0 Ų017.3 Ų17.30%08%0.079CC..EExtended strand (participates in β ladder)trans-99.3126.2155.2-55.5171000106.5T232 I241 I252 Y253 P256 L264 I273 W288T232-I239 CarbonylContact O-C 3.59Å; T232-I239 VanDerWaalsContact O-CA 3.26Å; T232-I239 WeakPolarHBondContact O-CA 3.37Å; I239-I241 HydrophobicContact CG2-CD1 3.95Å; I239-I252 CarbonylContact O-C 3.33Å; I239-I252 VanDerWaalsContact O-CA 3.22Å; I239-I252 WeakPolarHBondContact O-CA 3.27Å; I239-Y253 HydrophobicContact CB-CD2 4.26Å; I239-Y253 HydrophobicContact CG2-CD2 4.33Å; I239-Y253 PolarHBondContact N-O 2.94Å; I239-Y253 PolarHBondContact O-N 3.13Å; I239-P256 HydrophobicContact CD1-CG 3.8Å; I239-P256 HydrophobicContact CG1-CG 3.77Å; I239-L264 HydrophobicContact CD1-CD1 3.76Å; I239-L264 HydrophobicContact CG1-CD1 3.94Å; I239-L264 HydrophobicContact CG2-CD1 3.97Å; I239-L264 HydrophobicContact CG2-CD2 4.25Å; I239-I273 HydrophobicContact CD1-CG2 4.11Å; I239-I273 HydrophobicContact CG2-CG2 4.43Å; I239-W288 HydrophobicContact CD1-CD2 4.38Å; I239-W288 HydrophobicContact CD1-CG 4.36Å; I239-W288 HydrophobicContact CD1-CZ2 4.32Å
240Q95.7Very high94.5Very high0 Ų017.6 Ų17.60%08%0.081CC..EExtended strand (participates in β ladder)trans-117140.5-178.2-52.6-158.817.800111.3G206 H207 I231 T232 T238 W242 S249 I252G206-Q240 PolarHBondContact O-NE2 3.24Å; H207-Q240 PolarHBondContact ND1-NE2 2.94Å; I231-Q240 CarbonylContact C-O 3.59Å; I231-Q240 VanDerWaalsContact CA-O 3.3Å; I231-Q240 WeakPolarHBondContact CA-O 3.25Å; T232-Q240 PolarHBondContact N-O 2.9Å; T232-Q240 PolarHBondContact O-N 3.1Å; T238-Q240 WeakPolarHBondContact OG1-CG 3.19Å; T238-Q240 PolarHBondContact OG1-NE2 2.94Å; Q240-W242 HydrophobicContact CB-CZ2 4.17Å; Q240-W242 VanDerWaalsContact CB-NE1 3.3Å; Q240-W242 VanDerWaalsContact O-CD1 3.3Å; Q240-W242 VanDerWaalsContact OE1-CZ2 3.3Å; Q240-S249 PolarHBondContact OE1-OG 2.97Å; Q240-I252 HydrophobicContact CB-CG2 3.93Å; Q240-I252 HydrophobicContact CG-CB 4.35Å; Q240-I252 HydrophobicContact CG-CG2 3.54Å
241I96.2Very high94.2Very high0 Ų017.9 Ų17.90%08%0.082CC..EExtended strand (participates in β ladder)trans-108.7133.5-178.6-43.4-30.9000108.6I229 I231 I239 S249 L250 W251 Y253 I273 F290I229-I241 HydrophobicContact CG2-CG2 4.33Å; I231-I241 HydrophobicContact CB-CD1 4.16Å; I231-I241 HydrophobicContact CG2-CD1 3.65Å; I231-I241 HydrophobicContact CG2-CG2 4.41Å; I239-I241 HydrophobicContact CG2-CD1 3.95Å; I241-S249 CarbonylContact O-C 3.5Å; I241-S249 WeakPolarHBondContact O-CA 3.44Å; I241-S249 WeakPolarHBondContact O-CB 3.47Å; I241-L250 PolarHBondContact O-N 2.97Å; I241-W251 HydrophobicContact CB-CD2 3.89Å; I241-W251 HydrophobicContact CB-CE3 4.18Å; I241-W251 HydrophobicContact CB-CG 4.46Å; I241-W251 HydrophobicContact CB-CH2 4.07Å; I241-W251 HydrophobicContact CB-CZ2 3.8Å; I241-W251 HydrophobicContact CB-CZ3 4.26Å; I241-W251 HydrophobicContact CG1-CD2 3.92Å; I241-W251 HydrophobicContact CG1-CG 4.24Å; I241-W251 HydrophobicContact CG1-CH2 4.4Å; I241-W251 HydrophobicContact CG1-CZ2 3.62Å; I241-W251 VanDerWaalsContact CG1-NE1 3.33Å; I241-W251 HydrophobicContact CG2-CD2 4.42Å; I241-W251 HydrophobicContact CG2-CE3 4.39Å; I241-W251 HydrophobicContact CG2-CH2 3.51Å; I241-W251 HydrophobicContact CG2-CZ2 3.57Å; I241-W251 HydrophobicContact CG2-CZ3 3.95Å; I241-W251 PolarHBondContact N-O 2.78Å; I241-Y253 HydrophobicContact CD1-CD2 4Å; I241-Y253 HydrophobicContact CD1-CE2 3.75Å; I241-Y253 HydrophobicContact CG1-CD2 4.43Å; I241-Y253 HydrophobicContact CG1-CE2 3.89Å; I241-I273 HydrophobicContact CD1-CD1 4.06Å; I241-F290 HydrophobicContact CG2-CE2 3.69Å; I241-F290 HydrophobicContact CG2-CZ 3.88Å
242W95.9Very high93.8Very high1 Ų117.9 Ų17.90%0.0048%0.082CC..EExtended strand (participates in β ladder)trans-132.6155.6-169.8-58.484.3000110.9L181 C195 G206 I229 F230 T232 Q240L181-W242 HydrophobicContact CD1-CD2 3.69Å; L181-W242 HydrophobicContact CD1-CE3 4.04Å; L181-W242 HydrophobicContact CD1-CG 4.27Å; L181-W242 HydrophobicContact CD1-CH2 3.84Å; L181-W242 HydrophobicContact CD1-CZ2 3.48Å; L181-W242 VanDerWaalsContact CD1-CZ2 3.48Å; L181-W242 HydrophobicContact CD1-CZ3 4.1Å; C195-W242 HydrophobicContact CB-CE3 3.73Å; C195-W242 HydrophobicContact CB-CH2 4.44Å; C195-W242 HydrophobicContact CB-CZ3 3.55Å; G206-W242 VanDerWaalsContact CA-CH2 3.46Å; I229-W242 WeakPolarHBondContact CA-O 3.38Å; F230-W242 HydrophobicContact CD1-CB 3.82Å; F230-W242 HydrophobicContact CD2-CB 3.88Å; F230-W242 AromaticContact CD2-CD1 4Å; F230-W242 HydrophobicContact CD2-CG 4.13Å; F230-W242 HydrophobicContact CE1-CB 3.38Å; F230-W242 HydrophobicContact CE1-CG 4.26Å; F230-W242 HydrophobicContact CE2-CB 3.48Å; F230-W242 VanDerWaalsContact CE2-CB 3.48Å; F230-W242 AromaticContact CE2-CD1 3.62Å; F230-W242 HydrophobicContact CE2-CD2 4.26Å; F230-W242 AromaticContact CE2-CG 3.51Å; F230-W242 HydrophobicContact CE2-CG 3.51Å; F230-W242 HydrophobicContact CG-CB 4.05Å; F230-W242 HydrophobicContact CZ-CB 3.21Å; F230-W242 HydrophobicContact CZ-CD2 4.19Å; F230-W242 AromaticContact CZ-CG 3.59Å; F230-W242 HydrophobicContact CZ-CG 3.59Å; F230-W242 PolarHBondContact N-O 2.85Å; F230-W242 PolarHBondContact O-N 3.17Å; T232-W242 PolarHBondContact OG1-NE1 2.76Å; Q240-W242 HydrophobicContact CB-CZ2 4.17Å; Q240-W242 VanDerWaalsContact CB-NE1 3.3Å; Q240-W242 VanDerWaalsContact O-CD1 3.3Å; Q240-W242 VanDerWaalsContact OE1-CZ2 3.3Å
243D93.8Very high93.5Very high0 Ų018 Ų180%08%0.083CC..EExtended strand (participates in β ladder)trans-119.4127.8157.7176-44000107H228 I229 R245 Y246 L250 Y299H228-D243 WeakPolarHBondContact CB-OD1 3.19Å; H228-D243 WeakPolarHBondContact O-CA 3.48Å; I229-D243 HydrophobicContact CD1-CB 3.96Å; D243-R245 PolarHBondContact O-N 2.99Å; D243-R245 WeakPolarHBondContact OD1-CB 3.44Å; D243-R245 VanDerWaalsContact OD1-CG 3.31Å; D243-R245 WeakPolarHBondContact OD1-CG 3.2Å; D243-R245 IonicContact OD1-CZ 2.78Å; D243-R245 PolarHBondContact OD1-N 3.18Å; D243-R245 IonicContact OD1-NE 2.68Å; D243-R245 PolarHBondContact OD1-NE 3.16Å; D243-R245 IonicContact OD1-NH2 3.19Å; D243-R245 IonicContact OD2-CZ 3.43Å; D243-R245 VanDerWaalsContact OD2-CZ 3.32Å; D243-R245 IonicContact OD2-NE 3.53Å; D243-R245 PolarHBondContact OD2-NE 3.02Å; D243-R245 IonicContact OD2-NH2 3.6Å; D243-R245 PolarHBondContact OD2-NH2 3.39Å; D243-Y246 HydrophobicContact CB-CD2 3.57Å; D243-Y246 HydrophobicContact CB-CE2 3.98Å; D243-Y246 PolarHBondContact O-N 3.12Å; D243-L250 HydrophobicContact CB-CD1 4.02Å; D243-L250 HydrophobicContact CB-CD2 4.11Å; D243-L250 HydrophobicContact CB-CG 4.46Å; D243-Y299 WeakPolarHBondContact OD2-CE1 3.31Å; D243-Y299 PolarHBondContact OD2-OH 2.87Å
244D95.2Very high93.2Very high7 Ų720.9 Ų20.94%0.0379%0.094CC..THydrogen-bonded Turntrans-63.8-8.8-172.572.534.7000115.2R171 V183 Y216 H228 F230R171-D244 WeakPolarHBondContact CD-OD2 3.16Å; R171-D244 IonicContact CZ-OD2 3.47Å; R171-D244 IonicContact NE-OD1 3.65Å; R171-D244 IonicContact NE-OD2 3.82Å; R171-D244 PolarHBondContact NE-OD2 3.31Å; V183-D244 HydrophobicContact CG1-CB 3.91Å; V183-D244 HydrophobicContact CG2-CB 3.84Å; Y216-D244 PolarHBondContact OH-OD2 2.81Å; H228-D244 IonicContact CE1-OD1 3.88Å; H228-D244 IonicContact CG-OD1 2.83Å; H228-D244 IonicContact CG-OD2 3.07Å; H228-D244 VanDerWaalsContact ND1-CG 3.29Å; H228-D244 IonicContact ND1-OD1 2.77Å; H228-D244 PolarHBondContact ND1-OD1 3.13Å; H228-D244 IonicContact ND1-OD2 2.69Å; H228-D244 PolarHBondContact ND1-OD2 3.04Å; H228-D244 VanDerWaalsContact ND1-OD2 3.16Å; H228-D244 PolarHBondContact O-N 2.83Å; F230-D244 HydrophobicContact CD1-CB 4.14Å; F230-D244 HydrophobicContact CE1-CB 3.68Å
245R90.4Very high92.8Very high56 Ų5622.8 Ų22.821%0.21111%0.113CC..THydrogen-bonded Turntrans-85.9-19.5175.9-56.9172.2-72.5-1740.2112.4D243 Y299D243-R245 PolarHBondContact O-N 2.99Å; D243-R245 WeakPolarHBondContact OD1-CB 3.44Å; D243-R245 VanDerWaalsContact OD1-CG 3.31Å; D243-R245 WeakPolarHBondContact OD1-CG 3.2Å; D243-R245 IonicContact OD1-CZ 2.78Å; D243-R245 PolarHBondContact OD1-N 3.18Å; D243-R245 IonicContact OD1-NE 2.68Å; D243-R245 PolarHBondContact OD1-NE 3.16Å; D243-R245 IonicContact OD1-NH2 3.19Å; D243-R245 IonicContact OD2-CZ 3.43Å; D243-R245 VanDerWaalsContact OD2-CZ 3.32Å; D243-R245 IonicContact OD2-NE 3.53Å; D243-R245 PolarHBondContact OD2-NE 3.02Å; D243-R245 IonicContact OD2-NH2 3.6Å; D243-R245 PolarHBondContact OD2-NH2 3.39Å; R245-Y299 PolarHBondContact NH2-OH 2.98Å
246Y88.2Confident92.7Very high15 Ų1518.8 Ų18.86%0.05910%0.098CC..SBendtrans-103.2153.9-175.5-63.1-96.1000112.3C195 D243 L250 F298 A302 L309 I311C195-Y246 PolarHBondContact SG-O 2.94Å; D243-Y246 HydrophobicContact CB-CD2 3.57Å; D243-Y246 HydrophobicContact CB-CE2 3.98Å; D243-Y246 PolarHBondContact O-N 3.12Å; Y246-L250 HydrophobicContact CD2-CD2 4.47Å; Y246-F298 HydrophobicContact CD1-CE1 4.2Å; Y246-F298 AromaticContact CD1-CZ 3.81Å; Y246-F298 HydrophobicContact CD1-CZ 3.81Å; Y246-F298 HydrophobicContact CD2-CE1 4.2Å; Y246-F298 HydrophobicContact CD2-CZ 4.36Å; Y246-F298 AromaticContact CE1-CE1 3.65Å; Y246-F298 HydrophobicContact CE1-CE1 3.65Å; Y246-F298 AromaticContact CE1-CZ 3.62Å; Y246-F298 HydrophobicContact CE1-CZ 3.62Å; Y246-F298 AromaticContact CE2-CE1 3.64Å; Y246-F298 HydrophobicContact CE2-CE1 3.64Å; Y246-F298 HydrophobicContact CE2-CZ 4.18Å; Y246-F298 HydrophobicContact CG-CE1 4.42Å; Y246-F298 HydrophobicContact CG-CZ 4.14Å; Y246-F298 AromaticContact CZ-CE1 3.29Å; Y246-F298 AromaticContact CZ-CZ 3.78Å; Y246-F298 WeakPolarHBondContact OH-CE1 3.5Å; Y246-A302 HydrophobicContact CE1-CB 4.43Å; Y246-A302 WeakPolarHBondContact OH-CB 3.3Å; Y246-L309 HydrophobicContact CE1-CB 3.65Å; Y246-L309 HydrophobicContact CE2-CB 3.7Å; Y246-L309 HydrophobicContact CE2-CD1 3.79Å; Y246-L309 HydrophobicContact CE2-CG 4.39Å; Y246-L309 WeakPolarHBondContact OH-CB 3.42Å; Y246-L309 VanDerWaalsContact OH-CD1 3.24Å; Y246-L309 WeakPolarHBondContact OH-CD1 3.25Å; Y246-I311 HydrophobicContact CE1-CG1 4.37Å
247L89.6Confident92.7Very high79 Ų7918.5 Ų18.541%0.41410%0.096SC..SBendtrans-74.1-34.7-178.2-178.758.7000112.9I194 C195 S196I194-L247 WeakPolarHBondContact O-CD1 3.41Å; C195-L247 CarbonylContact C-O 3.55Å; C195-L247 WeakPolarHBondContact CA-O 3.32Å; S196-L247 PolarHBondContact N-O 3.01Å
248H90.3Very high92.9Very high55 Ų5516.7 Ų16.726%0.2559%0.087SC..SBendtrans-120.5159.8-169.5-60.6-50.3000111S196 D205S196-H248 PolarHBondContact O-ND1 2.61Å; D205-H248 HydrophobicContact CB-CB 4.03Å; D205-H248 CarbonylContact O-C 3.39Å; D205-H248 WeakPolarHBondContact O-CA 3.11Å; D205-H248 WeakPolarHBondContact O-CB 3.45Å; D205-H248 IonicContact OD2-CD2 3.78Å; D205-H248 IonicContact OD2-CG 3.33Å; D205-H248 IonicContact OD2-ND1 2.69Å
249S92.3Very high93Very high9 Ų917.5 Ų17.56%0.0639%0.092CC..  trans-66145.3175.3600000110.7D205 G206 Q240 I241D205-S249 VanDerWaalsContact CA-OG 3.27Å; D205-S249 WeakPolarHBondContact CA-OG 3.34Å; D205-S249 PolarHBondContact O-N 3.42Å; D205-S249 PolarHBondContact O-OG 2.74Å; G206-S249 PolarHBondContact N-OG 3.43Å; Q240-S249 PolarHBondContact OE1-OG 2.97Å; I241-S249 CarbonylContact O-C 3.5Å; I241-S249 WeakPolarHBondContact O-CA 3.44Å; I241-S249 WeakPolarHBondContact O-CB 3.47Å
250L89.9Confident92.9Very high7 Ų718.5 Ų18.54%0.03710%0.102CC..SBendtrans-73.6-49.5-178.1-48.2-178.2000110I229 I241 D243 Y246 F298I229-L250 HydrophobicContact CD1-CD1 4.09Å; I241-L250 PolarHBondContact O-N 2.97Å; D243-L250 HydrophobicContact CB-CD1 4.02Å; D243-L250 HydrophobicContact CB-CD2 4.11Å; D243-L250 HydrophobicContact CB-CG 4.46Å; Y246-L250 HydrophobicContact CD2-CD2 4.47Å; L250-F298 HydrophobicContact CB-CD2 4.19Å; L250-F298 HydrophobicContact CB-CE2 4.31Å; L250-F298 HydrophobicContact CD2-CD1 4.13Å; L250-F298 HydrophobicContact CD2-CD2 3.92Å; L250-F298 HydrophobicContact CD2-CE1 3.58Å; L250-F298 HydrophobicContact CD2-CE2 3.41Å; L250-F298 VanDerWaalsContact CD2-CE2 3.41Å; L250-F298 HydrophobicContact CD2-CG 4.31Å; L250-F298 HydrophobicContact CD2-CZ 3.26Å; L250-F298 HydrophobicContact CG-CE2 4.42Å
251W90.9Very high93Very high6 Ų618.9 Ų18.92%0.02311%0.105CC..EExtended strand (participates in β ladder)trans-158.6175.8172.672.795.2000110.6I241 Y253 F290 N291 L294 M295 N319I241-W251 HydrophobicContact CB-CD2 3.89Å; I241-W251 HydrophobicContact CB-CE3 4.18Å; I241-W251 HydrophobicContact CB-CG 4.46Å; I241-W251 HydrophobicContact CB-CH2 4.07Å; I241-W251 HydrophobicContact CB-CZ2 3.8Å; I241-W251 HydrophobicContact CB-CZ3 4.26Å; I241-W251 HydrophobicContact CG1-CD2 3.92Å; I241-W251 HydrophobicContact CG1-CG 4.24Å; I241-W251 HydrophobicContact CG1-CH2 4.4Å; I241-W251 HydrophobicContact CG1-CZ2 3.62Å; I241-W251 VanDerWaalsContact CG1-NE1 3.33Å; I241-W251 HydrophobicContact CG2-CD2 4.42Å; I241-W251 HydrophobicContact CG2-CE3 4.39Å; I241-W251 HydrophobicContact CG2-CH2 3.51Å; I241-W251 HydrophobicContact CG2-CZ2 3.57Å; I241-W251 HydrophobicContact CG2-CZ3 3.95Å; I241-W251 PolarHBondContact N-O 2.78Å; W251-Y253 AromaticContact CD1-CE2 4Å; W251-Y253 AromaticContact NE1-CE2 3.46Å; W251-Y253 AromaticContact NE1-CZ 3.6Å; W251-Y253 PolarHBondContact NE1-OH 2.68Å; W251-F290 AromaticContact CH2-CE1 3.95Å; W251-F290 HydrophobicContact CH2-CE1 3.95Å; W251-F290 HydrophobicContact CH2-CE2 4.37Å; W251-F290 AromaticContact CH2-CZ 3.65Å; W251-F290 HydrophobicContact CH2-CZ 3.65Å; W251-F290 HydrophobicContact CZ2-CE1 4.05Å; W251-F290 HydrophobicContact CZ2-CE2 4.1Å; W251-F290 AromaticContact CZ2-CZ 3.78Å; W251-F290 HydrophobicContact CZ2-CZ 3.78Å; W251-N291 HydrophobicContact CZ2-CB 4.46Å; W251-L294 HydrophobicContact CB-CD1 4.41Å; W251-L294 HydrophobicContact CD2-CB 4.35Å; W251-L294 HydrophobicContact CD2-CD1 4.22Å; W251-L294 HydrophobicContact CE3-CB 4.22Å; W251-L294 HydrophobicContact CG-CD1 4Å; W251-L294 HydrophobicContact CZ3-CB 4.45Å; W251-M295 HydrophobicContact CH2-CB 4.08Å; W251-M295 HydrophobicContact CZ3-CB 4.28Å; W251-N319 WeakPolarHBondContact CA-ND2 3.42Å; W251-N319 HydrophobicContact CB-CB 4.43Å; W251-N319 WeakPolarHBondContact CB-ND2 3.47Å
252I91.3Very high93.2Very high0 Ų018.9 Ų18.90%011%0.105CC..EExtended strand (participates in β ladder)trans-141.9156-173.265.5-176.8000112.1M204 I239 Q240 Y254 N319M204-I252 HydrophobicContact CB-CD1 3.6Å; M204-I252 HydrophobicContact CG-CD1 3.43Å; M204-I252 VanDerWaalsContact CG-CD1 3.43Å; I239-I252 CarbonylContact O-C 3.33Å; I239-I252 VanDerWaalsContact O-CA 3.22Å; I239-I252 WeakPolarHBondContact O-CA 3.27Å; Q240-I252 HydrophobicContact CB-CG2 3.93Å; Q240-I252 HydrophobicContact CG-CB 4.35Å; Q240-I252 HydrophobicContact CG-CG2 3.54Å; I252-Y254 HydrophobicContact CD1-CD2 4.01Å; I252-Y254 HydrophobicContact CD1-CE1 4.21Å; I252-Y254 HydrophobicContact CD1-CE2 3.09Å; I252-Y254 VanDerWaalsContact CD1-OH 3.24Å; I252-Y254 WeakPolarHBondContact CD1-OH 3.35Å; I252-Y254 HydrophobicContact CG1-CD2 4.03Å; I252-Y254 HydrophobicContact CG1-CE2 3.47Å; I252-Y254 VanDerWaalsContact CG1-CE2 3.47Å; I252-N319 PolarHBondContact N-ND2 3.19Å
253Y92.5Very high93.3Very high2 Ų218.8 Ų18.81%0.00811%0.105CC..EExtended strand (participates in β ladder)trans-113.5134.7165.3-55.2-94.2000108.7T238 I239 I241 W251 I273 W288 K289 N291 C328T238-Y253 CarbonylContact C-O 3.52Å; T238-Y253 WeakPolarHBondContact CA-O 3.15Å; I239-Y253 HydrophobicContact CB-CD2 4.26Å; I239-Y253 HydrophobicContact CG2-CD2 4.33Å; I239-Y253 PolarHBondContact N-O 2.94Å; I239-Y253 PolarHBondContact O-N 3.13Å; I241-Y253 HydrophobicContact CD1-CD2 4Å; I241-Y253 HydrophobicContact CD1-CE2 3.75Å; I241-Y253 HydrophobicContact CG1-CD2 4.43Å; I241-Y253 HydrophobicContact CG1-CE2 3.89Å; W251-Y253 AromaticContact CD1-CE2 4Å; W251-Y253 AromaticContact NE1-CE2 3.46Å; W251-Y253 AromaticContact NE1-CZ 3.6Å; W251-Y253 PolarHBondContact NE1-OH 2.68Å; Y253-I273 HydrophobicContact CD2-CD1 4.36Å; Y253-I273 HydrophobicContact CE2-CD1 3.79Å; Y253-W288 HydrophobicContact CD1-CB 4.38Å; Y253-W288 HydrophobicContact CD1-CD2 4.33Å; Y253-W288 AromaticContact CD1-CE3 3.69Å; Y253-W288 HydrophobicContact CD1-CE3 3.69Å; Y253-W288 HydrophobicContact CD1-CZ3 4.34Å; Y253-W288 HydrophobicContact CE1-CB 4.32Å; Y253-W288 HydrophobicContact CG-CD2 4.47Å; Y253-W288 HydrophobicContact CG-CE3 4.09Å; Y253-K289 PolarHBondContact OH-O 3.49Å; Y253-N291 PolarHBondContact OH-N 3.3Å; Y253-C328 HydrophobicContact CD1-CB 3.55Å; Y253-C328 HydrophobicContact CE1-CB 3.54Å
254Y90.7Very high93.5Very high60 Ų6018.8 Ų18.824%0.23511%0.105CC..EExtended strand (participates in β ladder)trans-100145.2179.2-74.3-98.1000111.4M204 T238 I252 W288 Y327M204-Y254 WeakPolarHBondContact CB-OH 3.46Å; T238-Y254 HydrophobicContact CG2-CD1 4.06Å; T238-Y254 HydrophobicContact CG2-CE1 4.11Å; I252-Y254 HydrophobicContact CD1-CD2 4.01Å; I252-Y254 HydrophobicContact CD1-CE1 4.21Å; I252-Y254 HydrophobicContact CD1-CE2 3.09Å; I252-Y254 VanDerWaalsContact CD1-OH 3.24Å; I252-Y254 WeakPolarHBondContact CD1-OH 3.35Å; I252-Y254 HydrophobicContact CG1-CD2 4.03Å; I252-Y254 HydrophobicContact CG1-CE2 3.47Å; I252-Y254 VanDerWaalsContact CG1-CE2 3.47Å; Y254-W288 WeakPolarHBondContact O-CH2 3.42Å; Y254-Y327 HydrophobicContact CD1-CE2 4.29Å; Y254-Y327 AromaticContact CD2-CD1 3.14Å; Y254-Y327 HydrophobicContact CD2-CD1 3.14Å; Y254-Y327 AromaticContact CD2-CD2 3.89Å; Y254-Y327 HydrophobicContact CD2-CD2 3.89Å; Y254-Y327 AromaticContact CD2-CE1 3.12Å; Y254-Y327 HydrophobicContact CD2-CE1 3.12Å; Y254-Y327 AromaticContact CD2-CE2 3.74Å; Y254-Y327 HydrophobicContact CD2-CE2 3.74Å; Y254-Y327 AromaticContact CD2-CG 3.63Å; Y254-Y327 HydrophobicContact CD2-CG 3.63Å; Y254-Y327 AromaticContact CD2-CZ 3.43Å; Y254-Y327 VanDerWaalsContact CD2-CZ 3.43Å; Y254-Y327 AromaticContact CE2-CD1 3.39Å; Y254-Y327 HydrophobicContact CE2-CD1 3.39Å; Y254-Y327 AromaticContact CE2-CE1 2.85Å; Y254-Y327 HydrophobicContact CE2-CE1 2.85Å; Y254-Y327 HydrophobicContact CE2-CE2 4.01Å; Y254-Y327 HydrophobicContact CE2-CG 4.26Å; Y254-Y327 AromaticContact CE2-CZ 3.22Å; Y254-Y327 HydrophobicContact CG-CD1 4.11Å; Y254-Y327 HydrophobicContact CG-CD2 4.06Å; Y254-Y327 HydrophobicContact CG-CE1 4.05Å; Y254-Y327 AromaticContact CG-CE2 3.85Å; Y254-Y327 HydrophobicContact CG-CE2 3.85Å; Y254-Y327 HydrophobicContact CG-CG 4.21Å; Y254-Y327 AromaticContact CG-CZ 3.93Å; Y254-Y327 AromaticContact CZ-CE1 3.64Å; Y254-Y327 AromaticContact CZ-CZ 3.54Å; Y254-Y327 PolarHBondContact OH-OH 3.03Å
255G90.2Very high93.6Very high40 Ų4019.9 Ų19.941%0.41211%0.11SC..  trans141.3-64.217000000113.5D237 H257D237-G255 PolarHBondContact O-N 2.94Å; G255-H257 PolarHBondContact O-N 3.15Å
256P93.7Very high93.9Very high0 Ų017.8 Ų17.80%010%0.103CC..  trans-78.7124.9-167.127.6-32000112.2D237 I239 I258 W288D237-P256 CarbonylContact C-O 3.54Å; D237-P256 WeakPolarHBondContact CA-O 3.2Å; I239-P256 HydrophobicContact CD1-CG 3.8Å; I239-P256 HydrophobicContact CG1-CG 3.77Å; P256-I258 HydrophobicContact CB-CD1 3.78Å; P256-I258 HydrophobicContact CB-CG1 4.4Å; P256-I258 HydrophobicContact CG-CD1 4.09Å; P256-I258 PolarHBondContact O-N 3.16Å; P256-W288 HydrophobicContact CG-CZ2 3.8Å
257H95.9Very high94.2Very high13 Ų1318 Ų186%0.0610%0.104CC..  trans-76.494.8165.3-164.391000110.5W235 D237 G255 S277 W278 R279W235-H257 VanDerWaalsContact CA-CE1 3.42Å; W235-H257 WeakPolarHBondContact CA-CE1 3.27Å; W235-H257 AromaticContact CD1-NE2 3.45Å; W235-H257 AromaticContact CD2-NE2 3.82Å; W235-H257 AromaticContact CG-CE1 3.71Å; W235-H257 AromaticContact CG-NE2 3.43Å; W235-H257 AromaticContact NE1-NE2 3.83Å; W235-H257 PolarHBondContact O-CE1 2.87Å; W235-H257 PolarHBondContact O-ND1 2.95Å; D237-H257 VanDerWaalsContact OD1-CB 3.24Å; D237-H257 WeakPolarHBondContact OD1-CB 3.36Å; D237-H257 IonicContact OD1-CE1 3.72Å; D237-H257 IonicContact OD1-CG 2.87Å; D237-H257 IonicContact OD1-ND1 3.78Å; D237-H257 PolarHBondContact OD1-ND1 2.72Å; G255-H257 PolarHBondContact O-N 3.15Å; H257-S277 WeakPolarHBondContact CB-OG 3.11Å; H257-S277 PolarHBondContact N-OG 2.87Å; H257-S277 WeakPolarHBondContact O-CA 3.29Å; H257-S277 PolarHBondContact O-OG 2.93Å; H257-W278 PolarHBondContact O-N 2.97Å; H257-R279 HydrophobicContact CB-CB 4.14Å; H257-R279 HydrophobicContact CB-CG 3.68Å; H257-R279 PolarHBondContact ND1-NE 2.8Å; H257-R279 PolarHBondContact ND1-NH2 2.59Å
258I97.8Very high94.3Very high0 Ų016.6 Ų16.60%010%0.101CC..  trans-80.4122.8-174.1-55.7-65.1000110A213 G234 P256 A263 L264 C276A213-I258 HydrophobicContact CB-CG2 3.88Å; G234-I258 CarbonylContact C-O 3.54Å; G234-I258 PolarHBondContact O-N 3.33Å; G234-I258 VanDerWaalsContact O-N 3.08Å; P256-I258 HydrophobicContact CB-CD1 3.78Å; P256-I258 HydrophobicContact CB-CG1 4.4Å; P256-I258 HydrophobicContact CG-CD1 4.09Å; P256-I258 PolarHBondContact O-N 3.16Å; I258-A263 HydrophobicContact CG2-CB 3.92Å; I258-L264 HydrophobicContact CG2-CB 4.26Å; I258-C276 WeakPolarHBondContact CD1-O 3.47Å
259C96.2Very high94.3Very high17 Ų1720.9 Ų20.912%0.11512%0.121CC..  trans-132.8123.4173.5-166.90000110A263 W278 Y346C259-A263 WeakPolarHBondContact O-CB 3.18Å; C259-W278 HydrophobicContact CB-CB 3.57Å; C259-W278 HydrophobicContact CB-CG 3.74Å; C259-Y346 HydrophobicContact CB-CD1 4.31Å; C259-Y346 HydrophobicContact CB-CE1 4.21Å; C259-Y346 WeakPolarHBondContact O-CA 3.3Å; C259-Y346 WeakPolarHBondContact O-CD1 3.34Å
260G95.1Very high94.3Very high21 Ų2122.2 Ų22.222%0.21613%0.13CC..SBendtrans95.6147.3-173.900000113.1C212 D262 A263C212-G260 CarbonylContact O-C 3.52Å; G260-D262 PolarHBondContact O-N 2.93Å; G260-A263 PolarHBondContact O-N 3.18Å
261S97.9Very high94.5Very high8 Ų822.4 Ų22.46%0.05613%0.131CC..THydrogen-bonded Turntrans-72.5-14.4-17563.80000114R45 D91 C212 K215R45-S261 PolarHBondContact NH2-OG 3.36Å; R45-S261 VanDerWaalsContact NH2-OG 3.12Å; D91-S261 WeakPolarHBondContact OD1-CB 3.33Å; D91-S261 PolarHBondContact OD1-OG 3.14Å; D91-S261 WeakPolarHBondContact OD2-CB 3.34Å; C212-S261 WeakPolarHBondContact O-CA 3.4Å; C212-S261 PolarHBondContact O-N 2.97Å; K215-S261 WeakPolarHBondContact CE-O 3.34Å; K215-S261 PolarHBondContact NZ-O 2.95Å
262D98.5Very high94.7Very high0 Ų024.5 Ų24.50%014%0.141CC..BIsolated β-bridgetrans-102.42178.9-71.8-7.1000112.8R45 G260 L264 Y346 V347 A348 K349 S389 L390R45-D262 IonicContact CZ-OD1 3.4Å; R45-D262 VanDerWaalsContact NH1-CG 3.29Å; R45-D262 IonicContact NH1-OD1 3.08Å; R45-D262 PolarHBondContact NH1-OD1 3.15Å; R45-D262 IonicContact NH1-OD2 3.64Å; R45-D262 PolarHBondContact NH1-OD2 3.12Å; R45-D262 IonicContact NH2-OD1 3.83Å; R45-D262 PolarHBondContact NH2-OD1 3.26Å; G260-D262 PolarHBondContact O-N 2.93Å; D262-L264 PolarHBondContact O-N 2.73Å; D262-Y346 CarbonylContact C-O 3.53Å; D262-Y346 VanDerWaalsContact C-O 3.3Å; D262-V347 HydrophobicContact CB-CG1 4.46Å; D262-V347 HydrophobicContact CB-CG2 4.18Å; D262-V347 CarbonylContact O-C 3.56Å; D262-V347 WeakPolarHBondContact O-CA 3.22Å; D262-A348 CarbonylContact O-C 3.47Å; D262-A348 PolarHBondContact O-N 2.93Å; D262-K349 HydrophobicContact CB-CD 4.02Å; D262-K349 HydrophobicContact CB-CG 4.17Å; D262-S389 WeakPolarHBondContact OD2-CA 3.45Å; D262-S389 VanDerWaalsContact OD2-CB 3.3Å; D262-S389 WeakPolarHBondContact OD2-CB 3.27Å; D262-S389 PolarHBondContact OD2-OG 3.03Å; D262-L390 PolarHBondContact OD2-N 2.92Å
263A98.1Very high95Very high0 Ų024.5 Ų24.50%014%0.141CC..SBendtrans-80.9-1.617700000113.4I258 C259 G260 S275 C276 Y346I258-A263 HydrophobicContact CG2-CB 3.92Å; C259-A263 WeakPolarHBondContact O-CB 3.18Å; G260-A263 PolarHBondContact O-N 3.18Å; A263-S275 VanDerWaalsContact O-CA 3.23Å; A263-S275 WeakPolarHBondContact O-CA 3.42Å; A263-C276 VanDerWaalsContact CB-SG 3.55Å; A263-C276 PolarHBondContact O-N 2.95Å; A263-Y346 PolarHBondContact N-O 2.87Å; A263-Y346 VanDerWaalsContact N-O 3.08Å
264L98.6Very high95.3Very high0 Ų024.4 Ų24.40%014%0.141CC..EExtended strand (participates in β ladder)trans-141.9128.3179-176.469000110A213 K215 I231 I239 I258 D262 I273 L274A213-L264 HydrophobicContact CB-CB 3.73Å; A213-L264 HydrophobicContact CB-CD2 4.21Å; K215-L264 WeakPolarHBondContact CE-O 3.46Å; I231-L264 HydrophobicContact CD1-CD1 4.08Å; I231-L264 HydrophobicContact CD1-CD2 3.98Å; I231-L264 HydrophobicContact CD1-CG 3.81Å; I231-L264 HydrophobicContact CG1-CD2 3.99Å; I231-L264 HydrophobicContact CG1-CG 4.33Å; I239-L264 HydrophobicContact CD1-CD1 3.76Å; I239-L264 HydrophobicContact CG1-CD1 3.94Å; I239-L264 HydrophobicContact CG2-CD1 3.97Å; I239-L264 HydrophobicContact CG2-CD2 4.25Å; I258-L264 HydrophobicContact CG2-CB 4.26Å; D262-L264 PolarHBondContact O-N 2.73Å; L264-I273 HydrophobicContact CD1-CG2 3.56Å; L264-L274 WeakPolarHBondContact CA-O 3.32Å
265E97.5Very high95.6Very high30 Ų3021.5 Ų21.514%0.1413%0.129CC..EExtended strand (participates in β ladder)trans-145.7161.7176.9-169.2161.6-139.800111.6I273 L274 K349 W350E265-I273 CarbonylContact O-C 3.58Å; E265-I273 VanDerWaalsContact O-CA 3.31Å; E265-I273 WeakPolarHBondContact O-CA 3.49Å; E265-I273 WeakPolarHBondContact O-CG2 3.31Å; E265-L274 PolarHBondContact N-O 3.09Å; E265-L274 PolarHBondContact O-N 3.15Å; E265-K349 VanDerWaalsContact CD-NZ 3.32Å; E265-K349 IonicContact OE1-NZ 3.89Å; E265-K349 PolarHBondContact OE1-NZ 2.83Å; E265-K349 WeakPolarHBondContact OE2-CA 3.38Å; E265-K349 WeakPolarHBondContact OE2-CD 3.47Å; E265-K349 WeakPolarHBondContact OE2-CE 3.42Å; E265-K349 IonicContact OE2-NZ 2.73Å; E265-W350 PolarHBondContact OE2-N 3.34Å
266I97.2Very high95.9Very high12 Ų1219.7 Ų19.76%0.06211%0.11CC..EExtended strand (participates in β ladder)trans-131.6136.3172.6179.9158.8000110.2H217 P218 I231 H272 I273 F290H217-I266 WeakPolarHBondContact CD2-CD1 3.34Å; H217-I266 WeakPolarHBondContact NE2-CD1 3.24Å; P218-I266 HydrophobicContact CG-CG2 4.14Å; I231-I266 HydrophobicContact CD1-CB 3.91Å; I231-I266 HydrophobicContact CD1-CG2 4.04Å; I266-H272 WeakPolarHBondContact CA-O 3.13Å; I266-I273 HydrophobicContact CB-CG1 4.48Å; I266-I273 HydrophobicContact CD1-CG1 4Å; I266-I273 HydrophobicContact CG1-CG1 4.39Å; I266-F290 HydrophobicContact CD1-CB 4.4Å; I266-F290 HydrophobicContact CD1-CD2 3.61Å; I266-F290 HydrophobicContact CD1-CE2 4.27Å; I266-F290 HydrophobicContact CD1-CG 4.24Å
267E93.7Very high95.9Very high20 Ų2020 Ų209%0.09311%0.113CC..  trans-101.8131.6-179.1-163.6-81.3122.400110.4E269 S270 N271 H272 W350 R371E267-E269 WeakPolarHBondContact OE1-CB 3.43Å; E267-E269 PolarHBondContact OE1-N 3.28Å; E267-S270 WeakPolarHBondContact OE2-CA 3.24Å; E267-S270 WeakPolarHBondContact OE2-CB 3.48Å; E267-S270 PolarHBondContact OE2-N 2.75Å; E267-S270 PolarHBondContact OE2-OG 3.27Å; E267-N271 VanDerWaalsContact O-CA 3.27Å; E267-N271 WeakPolarHBondContact O-CA 3Å; E267-N271 PolarHBondContact O-N 2.83Å; E267-H272 PolarHBondContact N-O 2.83Å; E267-W350 HydrophobicContact CB-CD2 4.09Å; E267-W350 HydrophobicContact CB-CG 4.03Å; E267-W350 HydrophobicContact CG-CD2 4.18Å; E267-W350 HydrophobicContact CG-CG 4.12Å; E267-R371 IonicContact OE2-CZ 3.56Å; E267-R371 IonicContact OE2-NH1 2.76Å; E267-R371 IonicContact OE2-NH2 3.89Å; E267-R371 PolarHBondContact OE2-NH2 2.94Å
268S92.1Very high95.8Very high49 Ų4923.3 Ų23.334%0.34313%0.125SC..THydrogen-bonded Turntrans-71.1-42-168.9520000114.2R219R219-S268 WeakPolarHBondContact CG-O 3.41Å; R219-S268 PolarHBondContact NE-O 3.17Å; R219-S268 PolarHBondContact NH2-O 2.9Å
269E90.1Very high95.3Very high145 Ų14529.1 Ų29.168%0.67815%0.147SC*.THydrogen-bonded Turntrans-71.5-56-173.5-63.2-170.4145.700110.4R219 E267 N271R219-E269 PolarHBondContact NH2-O 2.99Å; E267-E269 WeakPolarHBondContact OE1-CB 3.43Å; E267-E269 PolarHBondContact OE1-N 3.28Å; E269-N271 VanDerWaalsContact C-N 3.34Å; E269-N271 PolarHBondContact O-N 2.91Å
270S91.5Very high94.2Very high37 Ų3736.9 Ų36.926%0.25917%0.174SC..THydrogen-bonded Turntrans-81.7-12.1-176.873.20000114.6E267 H272 R371E267-S270 WeakPolarHBondContact OE2-CA 3.24Å; E267-S270 WeakPolarHBondContact OE2-CB 3.48Å; E267-S270 PolarHBondContact OE2-N 2.75Å; E267-S270 PolarHBondContact OE2-OG 3.27Å; S270-H272 VanDerWaalsContact C-N 3.27Å; S270-H272 WeakPolarHBondContact CB-ND1 3.28Å; S270-H272 PolarHBondContact O-CE1 2.53Å; S270-H272 PolarHBondContact O-N 3.15Å; S270-H272 PolarHBondContact O-ND1 2.91Å; S270-H272 VanDerWaalsContact O-ND1 3.15Å; S270-H272 PolarHBondContact OG-ND1 2.73Å; S270-R371 PolarHBondContact OG-NH2 3.19Å
271N95Very high93Very high10 Ų1038.3 Ų38.35%0.05318%0.176CC..  trans5935.8-177.4-14025.4000113.7H217 R219 Y226 E267 E269 F290H217-N271 PolarHBondContact CE1-OD1 3.35Å; H217-N271 PolarHBondContact NE2-OD1 3.19Å; R219-N271 VanDerWaalsContact CZ-CG 3.49Å; R219-N271 PolarHBondContact NE-OD1 3Å; R219-N271 PolarHBondContact NH1-ND2 3.05Å; Y226-N271 PolarHBondContact OH-ND2 2.85Å; E267-N271 VanDerWaalsContact O-CA 3.27Å; E267-N271 WeakPolarHBondContact O-CA 3Å; E267-N271 PolarHBondContact O-N 2.83Å; E269-N271 VanDerWaalsContact C-N 3.34Å; E269-N271 PolarHBondContact O-N 2.91Å; N271-F290 HydrophobicContact CB-CB 4.37Å; N271-F290 WeakPolarHBondContact O-CB 3.3Å; N271-F290 PolarHBondContact O-N 2.85Å
272H95.5Very high92.2Very high50 Ų5046.8 Ų46.823%0.23121%0.212CC..EExtended strand (participates in β ladder)trans-100.6138.4176.3-68.195.5000111I266 E267 S270 V287 W288 W350I266-H272 WeakPolarHBondContact CA-O 3.13Å; E267-H272 PolarHBondContact N-O 2.83Å; S270-H272 VanDerWaalsContact C-N 3.27Å; S270-H272 WeakPolarHBondContact CB-ND1 3.28Å; S270-H272 PolarHBondContact O-CE1 2.53Å; S270-H272 PolarHBondContact O-N 3.15Å; S270-H272 PolarHBondContact O-ND1 2.91Å; S270-H272 VanDerWaalsContact O-ND1 3.15Å; S270-H272 PolarHBondContact OG-ND1 2.73Å; H272-V287 HydrophobicContact CB-CG1 3.82Å; H272-W288 CarbonylContact C-O 3.58Å; H272-W288 VanDerWaalsContact CA-O 3.26Å; H272-W288 WeakPolarHBondContact CA-O 3.5Å; H272-W350 HydrophobicContact CB-CZ2 4.33Å
273I97.5Very high91.8Very high0 Ų047 Ų470%021%0.214CC..EExtended strand (participates in β ladder)trans-87.5136.7166.9-56.6165.9000107.4I231 I239 I241 Y253 L264 E265 I266 V287 W288 F290I231-I273 HydrophobicContact CD1-CG1 4.16Å; I231-I273 HydrophobicContact CD1-CG2 3.82Å; I231-I273 HydrophobicContact CG2-CD1 4.32Å; I239-I273 HydrophobicContact CD1-CG2 4.11Å; I239-I273 HydrophobicContact CG2-CG2 4.43Å; I241-I273 HydrophobicContact CD1-CD1 4.06Å; Y253-I273 HydrophobicContact CD2-CD1 4.36Å; Y253-I273 HydrophobicContact CE2-CD1 3.79Å; L264-I273 HydrophobicContact CD1-CG2 3.56Å; E265-I273 CarbonylContact O-C 3.58Å; E265-I273 VanDerWaalsContact O-CA 3.31Å; E265-I273 WeakPolarHBondContact O-CA 3.49Å; E265-I273 WeakPolarHBondContact O-CG2 3.31Å; I266-I273 HydrophobicContact CB-CG1 4.48Å; I266-I273 HydrophobicContact CD1-CG1 4Å; I266-I273 HydrophobicContact CG1-CG1 4.39Å; I273-V287 CarbonylContact O-C 3.54Å; I273-V287 WeakPolarHBondContact O-CA 3.19Å; I273-W288 HydrophobicContact CB-CB 4.14Å; I273-W288 PolarHBondContact N-O 2.9Å; I273-W288 PolarHBondContact O-N 2.77Å; I273-F290 HydrophobicContact CD1-CD2 4.06Å; I273-F290 HydrophobicContact CG1-CD2 4.36Å
274L97.7Very high91.5Very high0 Ų047.5 Ų47.50%022%0.216CC..EExtended strand (participates in β ladder)trans-116.1134.9173.6179.972000108.6L264 E265 L285 V287 A348 W350 I356L264-L274 WeakPolarHBondContact CA-O 3.32Å; E265-L274 PolarHBondContact N-O 3.09Å; E265-L274 PolarHBondContact O-N 3.15Å; L274-L285 HydrophobicContact CD1-CB 4.3Å; L274-L285 HydrophobicContact CD1-CD2 4.11Å; L274-L285 HydrophobicContact CG-CD2 4.36Å; L274-V287 HydrophobicContact CD1-CG2 3.93Å; L274-A348 HydrophobicContact CD2-CB 4.18Å; L274-A348 HydrophobicContact CG-CB 4.1Å; L274-W350 HydrophobicContact CB-CZ2 3.95Å; L274-W350 VanDerWaalsContact CB-NE1 3.35Å; L274-W350 HydrophobicContact CD1-CZ2 4.37Å; L274-W350 HydrophobicContact CD2-CD2 4.29Å; L274-W350 HydrophobicContact CD2-CG 4.4Å; L274-W350 HydrophobicContact CD2-CZ2 4.49Å; L274-W350 HydrophobicContact CG-CZ2 4.5Å; L274-I356 HydrophobicContact CD1-CD1 4.47Å; L274-I356 HydrophobicContact CD1-CG2 4.29Å; L274-I356 HydrophobicContact CD2-CG2 3.46Å; L274-I356 VanDerWaalsContact CD2-CG2 3.46Å; L274-I356 HydrophobicContact CG-CG2 4.5Å
275S97.7Very high91.3Very high0 Ų047.5 Ų47.50%022%0.216CC..EExtended strand (participates in β ladder)trans-139.6152.8174.461.50000112.6A263 L285 Q286 W288A263-S275 VanDerWaalsContact O-CA 3.23Å; A263-S275 WeakPolarHBondContact O-CA 3.42Å; S275-L285 CarbonylContact O-C 3.47Å; S275-L285 WeakPolarHBondContact O-CA 3.46Å; S275-Q286 PolarHBondContact N-O 2.55Å; S275-Q286 PolarHBondContact O-N 2.94Å; S275-W288 PolarHBondContact OG-NE1 2.83Å
276C96.5Very high91.2Very high1 Ų146.7 Ų46.71%0.00721%0.212CC..  trans-117.4160.9159.861.40000110.5I258 A263 I284 L285 A348 F358I258-C276 WeakPolarHBondContact CD1-O 3.47Å; A263-C276 VanDerWaalsContact CB-SG 3.55Å; A263-C276 PolarHBondContact O-N 2.95Å; C276-I284 WeakPolarHBondContact CA-O 3.17Å; C276-I284 WeakPolarHBondContact CB-O 3.34Å; C276-L285 HydrophobicContact CB-CD2 4.01Å; C276-A348 HydrophobicContact CB-CB 3.82Å; C276-F358 HydrophobicContact CB-CD2 4.01Å; C276-F358 HydrophobicContact CB-CE2 3.88Å
277S94.7Very high91.1Very high8 Ų846.7 Ų46.76%0.05621%0.213CC..  trans-110.2139.9176-166.90000111.9H257 R279 G345H257-S277 WeakPolarHBondContact CB-OG 3.11Å; H257-S277 PolarHBondContact N-OG 2.87Å; H257-S277 WeakPolarHBondContact O-CA 3.29Å; H257-S277 PolarHBondContact O-OG 2.93Å; S277-R279 PolarHBondContact OG-N 2.82Å; S277-G345 PolarHBondContact O-N 2.92Å
278W93.2Very high91.1Very high82 Ų8245.9 Ų45.931%0.31121%0.209SC..SBendtrans-75.1-27169.6-172.886.6000112.6H257 C259 K344 Y346H257-W278 PolarHBondContact O-N 2.97Å; C259-W278 HydrophobicContact CB-CB 3.57Å; C259-W278 HydrophobicContact CB-CG 3.74Å; W278-K344 HydrophobicContact CD2-CB 4.47Å; W278-K344 HydrophobicContact CD2-CD 3.93Å; W278-K344 VanDerWaalsContact CE2-CD 3.43Å; W278-K344 HydrophobicContact CE3-CD 4.4Å; W278-K344 HydrophobicContact CG-CB 4.15Å; W278-K344 HydrophobicContact CG-CD 4.45Å; W278-K344 HydrophobicContact CH2-CD 4.07Å; W278-K344 HydrophobicContact CZ2-CD 3.53Å; W278-K344 HydrophobicContact CZ3-CD 4.47Å; W278-K344 VanDerWaalsContact O-CB 3.31Å; W278-K344 WeakPolarHBondContact O-CB 3.1Å; W278-K344 VanDerWaalsContact O-CG 3.24Å; W278-K344 WeakPolarHBondContact O-CG 3.49Å; W278-Y346 AromaticContact CD1-CE1 3.52Å; W278-Y346 AromaticContact CD1-CZ 3.39Å; W278-Y346 AromaticContact NE1-CE1 3.74Å; W278-Y346 AromaticContact NE1-CZ 3.26Å; W278-Y346 VanDerWaalsContact NE1-CZ 3.26Å; W278-Y346 PolarHBondContact NE1-OH 3.23Å
279R87.9Confident91.2Very high122 Ų12249.1 Ų49.146%0.4622%0.217SC..SBendtrans-71.5156.7173.4-75.4-174.5-175.116713.7109.4D237 H257 S277 D281D237-R279 IonicContact OD1-CZ 3.12Å; D237-R279 IonicContact OD1-NE 3.53Å; D237-R279 IonicContact OD1-NH1 2.7Å; D237-R279 IonicContact OD1-NH2 3.01Å; D237-R279 PolarHBondContact OD1-NH2 3.07Å; D237-R279 IonicContact OD2-CZ 2.8Å; D237-R279 IonicContact OD2-NH1 3.32Å; D237-R279 PolarHBondContact OD2-NH1 3.37Å; D237-R279 IonicContact OD2-NH2 3.33Å; D237-R279 PolarHBondContact OD2-NH2 3.05Å; H257-R279 HydrophobicContact CB-CB 4.14Å; H257-R279 HydrophobicContact CB-CG 3.68Å; H257-R279 PolarHBondContact ND1-NE 2.8Å; H257-R279 PolarHBondContact ND1-NH2 2.59Å; S277-R279 PolarHBondContact OG-N 2.82Å; R279-D281 VanDerWaalsContact C-N 3.33Å; R279-D281 PolarHBondContact O-N 3.04Å
280R71.7Confident91.4Very high180 Ų18042.3 Ų42.368%0.67919%0.185SC*.  trans-68.397171.2-65.1-175.5178.7175.9-1.4108.1P342 D362R280-P342 HydrophobicContact CG-CB 4.17Å; R280-D362 IonicContact NH2-OD2 3.54Å
281D70.4Confident91.4Very high51 Ų5141.8 Ų41.827%0.27318%0.179SC..  trans-104163.6174.1-157.5-10.9000109.6R279 S283 Q286R279-D281 VanDerWaalsContact C-N 3.33Å; R279-D281 PolarHBondContact O-N 3.04Å; D281-S283 PolarHBondContact O-N 2.97Å; D281-Q286 PolarHBondContact OD2-NE2 3.2Å
282K81Confident91.2Very high185 Ų18545.1 Ų45.180%0.80420%0.195SC*.SBendtrans-69.4-21.6173.2-66-180-179.4177.10111.8P335 Q336K282-P335 WeakPolarHBondContact O-CA 3.34Å; K282-Q336 PolarHBondContact O-N 3.23Å
283S89.3Confident90.9Very high6 Ų649.3 Ų49.34%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-116.7141.6178.845.90000112D281 Q286 E333 I334D281-S283 PolarHBondContact O-N 2.97Å; S283-Q286 PolarHBondContact OG-NE2 2.94Å; S283-E333 WeakPolarHBondContact CB-OE2 3.44Å; S283-E333 PolarHBondContact OG-OE2 2.95Å; S283-I334 CarbonylContact C-O 3.6Å; S283-I334 VanDerWaalsContact CA-O 3.23Å; S283-I334 WeakPolarHBondContact CA-O 3.37Å; S283-I334 VanDerWaalsContact CB-O 3.24Å; S283-I334 WeakPolarHBondContact CB-O 3.45Å
284I92.1Very high90.4Very high9 Ų950.9 Ų50.95%0.04622%0.223CC..EExtended strand (participates in β ladder)trans-82.7-27.4173.255.8167.6000111.6C276 I334 Q336 F358 K367 I369C276-I284 WeakPolarHBondContact CA-O 3.17Å; C276-I284 WeakPolarHBondContact CB-O 3.34Å; I284-I334 HydrophobicContact CD1-CG2 3.97Å; I284-I334 HydrophobicContact CG1-CB 4.21Å; I284-I334 HydrophobicContact CG1-CG2 3.9Å; I284-I334 WeakPolarHBondContact CG1-O 3.46Å; I284-I334 PolarHBondContact N-O 2.89Å; I284-Q336 HydrophobicContact CG2-CB 3.91Å; I284-Q336 HydrophobicContact CG2-CG 4.1Å; I284-F358 HydrophobicContact CB-CD1 4.28Å; I284-F358 HydrophobicContact CB-CD2 3.99Å; I284-F358 HydrophobicContact CB-CE1 4.02Å; I284-F358 HydrophobicContact CB-CE2 3.72Å; I284-F358 HydrophobicContact CB-CG 4.25Å; I284-F358 HydrophobicContact CB-CZ 3.73Å; I284-F358 HydrophobicContact CD1-CB 4.43Å; I284-F358 HydrophobicContact CD1-CD1 3.93Å; I284-F358 HydrophobicContact CD1-CE1 4.34Å; I284-F358 HydrophobicContact CD1-CG 4.05Å; I284-F358 HydrophobicContact CG2-CE1 3.99Å; I284-F358 HydrophobicContact CG2-CE2 4.32Å; I284-F358 HydrophobicContact CG2-CZ 3.82Å; I284-F358 WeakPolarHBondContact O-CD2 3.1Å; I284-F358 VanDerWaalsContact O-CE2 3.28Å; I284-F358 WeakPolarHBondContact O-CE2 3.33Å; I284-K367 HydrophobicContact CD1-CD 4.13Å; I284-I369 HydrophobicContact CD1-CD1 4.15Å
285L95.2Very high90Very high1 Ų151.1 Ų51.11%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-139.6144179-66.7167.2000110.6L274 S275 C276 E333 I334 A348 I356 F358 I369L274-L285 HydrophobicContact CD1-CB 4.3Å; L274-L285 HydrophobicContact CD1-CD2 4.11Å; L274-L285 HydrophobicContact CG-CD2 4.36Å; S275-L285 CarbonylContact O-C 3.47Å; S275-L285 WeakPolarHBondContact O-CA 3.46Å; C276-L285 HydrophobicContact CB-CD2 4.01Å; L285-E333 WeakPolarHBondContact O-CA 3.36Å; L285-I334 HydrophobicContact CB-CB 4.14Å; L285-I334 HydrophobicContact CB-CD1 3.91Å; L285-I334 HydrophobicContact CB-CG1 4.41Å; L285-I334 HydrophobicContact CD1-CD1 3.52Å; L285-I334 HydrophobicContact CG-CD1 4.35Å; L285-I334 PolarHBondContact N-O 2.76Å; L285-I334 PolarHBondContact O-N 3.49Å; L285-A348 HydrophobicContact CD2-CB 3.39Å; L285-I356 HydrophobicContact CD1-CG2 3.63Å; L285-F358 HydrophobicContact CD1-CB 4Å; L285-F358 HydrophobicContact CD2-CB 4.32Å; L285-F358 HydrophobicContact CD2-CD2 3.99Å; L285-F358 HydrophobicContact CG-CB 4.18Å; L285-F358 HydrophobicContact CG-CD2 4.09Å; L285-F358 HydrophobicContact CG-CG 4.47Å; L285-I369 HydrophobicContact CD1-CD1 3.63Å
286Q94.7Very high89.5Confident12 Ų1255.1 Ų55.16%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-125.8133.3174.4-70.4164.1-2200108.6S275 D281 S283 W288 P330 E333S275-Q286 PolarHBondContact N-O 2.55Å; S275-Q286 PolarHBondContact O-N 2.94Å; D281-Q286 PolarHBondContact OD2-NE2 3.2Å; S283-Q286 PolarHBondContact OG-NE2 2.94Å; Q286-W288 HydrophobicContact CB-CZ2 3.78Å; Q286-W288 HydrophobicContact CG-CZ2 4.32Å; Q286-P330 HydrophobicContact CB-CB 4.21Å; Q286-P330 HydrophobicContact CB-CG 4.05Å; Q286-P330 HydrophobicContact CG-CB 4.47Å; Q286-P330 HydrophobicContact CG-CG 3.98Å; Q286-E333 HydrophobicContact CG-CG 4.11Å
287V94.7Very high88.9Confident12 Ų1259.3 Ų59.37%0.07326%0.264CS..EExtended strand (participates in β ladder)trans-110.7130.3176.9-174.70000108.2H272 I273 L274 P330 V331 A332H272-V287 HydrophobicContact CB-CG1 3.82Å; I273-V287 CarbonylContact O-C 3.54Å; I273-V287 WeakPolarHBondContact O-CA 3.19Å; L274-V287 HydrophobicContact CD1-CG2 3.93Å; V287-P330 CarbonylContact O-C 3.57Å; V287-P330 WeakPolarHBondContact O-CA 3.45Å; V287-P330 WeakPolarHBondContact O-CB 3.18Å; V287-V331 HydrophobicContact CB-CG2 4.23Å; V287-V331 HydrophobicContact CG1-CG2 3.93Å; V287-V331 VanDerWaalsContact O-CG2 3.32Å; V287-V331 WeakPolarHBondContact O-CG2 3.37Å; V287-V331 PolarHBondContact O-N 3.04Å; V287-A332 HydrophobicContact CB-CB 4.13Å; V287-A332 HydrophobicContact CG2-CB 4.28Å; V287-A332 PolarHBondContact N-O 3.33Å; V287-A332 PolarHBondContact O-N 3.49Å
288W94.9Very high88.4Confident3 Ų359.4 Ų59.41%0.01126%0.263CS..EExtended strand (participates in β ladder)trans-123.2139.2-177.6-39.778.9000109.6I239 Y253 Y254 P256 H272 I273 S275 Q286 F290 C328 P330I239-W288 HydrophobicContact CD1-CD2 4.38Å; I239-W288 HydrophobicContact CD1-CG 4.36Å; I239-W288 HydrophobicContact CD1-CZ2 4.32Å; Y253-W288 HydrophobicContact CD1-CB 4.38Å; Y253-W288 HydrophobicContact CD1-CD2 4.33Å; Y253-W288 AromaticContact CD1-CE3 3.69Å; Y253-W288 HydrophobicContact CD1-CE3 3.69Å; Y253-W288 HydrophobicContact CD1-CZ3 4.34Å; Y253-W288 HydrophobicContact CE1-CB 4.32Å; Y253-W288 HydrophobicContact CG-CD2 4.47Å; Y253-W288 HydrophobicContact CG-CE3 4.09Å; Y254-W288 WeakPolarHBondContact O-CH2 3.42Å; P256-W288 HydrophobicContact CG-CZ2 3.8Å; H272-W288 CarbonylContact C-O 3.58Å; H272-W288 VanDerWaalsContact CA-O 3.26Å; H272-W288 WeakPolarHBondContact CA-O 3.5Å; I273-W288 HydrophobicContact CB-CB 4.14Å; I273-W288 PolarHBondContact N-O 2.9Å; I273-W288 PolarHBondContact O-N 2.77Å; S275-W288 PolarHBondContact OG-NE1 2.83Å; Q286-W288 HydrophobicContact CB-CZ2 3.78Å; Q286-W288 HydrophobicContact CG-CZ2 4.32Å; W288-F290 PolarHBondContact O-N 2.88Å; W288-C328 WeakPolarHBondContact CZ3-O 3.13Å; W288-P330 HydrophobicContact CD2-CB 4.45Å; W288-P330 HydrophobicContact CD2-CG 4.3Å; W288-P330 HydrophobicContact CE3-CB 4.33Å; W288-P330 HydrophobicContact CE3-CG 3.98Å; W288-P330 HydrophobicContact CH2-CG 3.52Å; W288-P330 HydrophobicContact CZ2-CG 3.83Å; W288-P330 HydrophobicContact CZ3-CB 4.42Å; W288-P330 VanDerWaalsContact CZ3-CD 3.4Å; W288-P330 HydrophobicContact CZ3-CG 3.6Å
289K93.3Very high88Confident118 Ų11857.8 Ų57.851%0.51326%0.257SS..EExtended strand (participates in β ladder)trans-75.7123.2170.1-179.4-177177.6-1690109Y253 N291 V331Y253-K289 PolarHBondContact OH-O 3.49Å; K289-N291 PolarHBondContact O-N 3.3Å; K289-V331 HydrophobicContact CB-CG1 3.87Å
290F94.6Very high87.9Confident2 Ų258 Ų581%0.00927%0.268CS..  trans-65.1122.8168.1-172-82.4000109H217 Y226 I229 I231 I241 W251 I266 N271 I273 W288 E292H217-F290 AromaticContact CD2-CD2 3.92Å; H217-F290 AromaticContact CD2-CE2 3.61Å; H217-F290 AromaticContact CD2-CZ 3.84Å; H217-F290 AromaticContact NE2-CD2 3.86Å; H217-F290 AromaticContact NE2-CE2 3.99Å; H217-F290 AromaticContact NE2-CG 3.93Å; Y226-F290 HydrophobicContact CE1-CD1 4.43Å; Y226-F290 HydrophobicContact CE1-CE1 4.01Å; I229-F290 HydrophobicContact CG2-CE2 4.05Å; I229-F290 HydrophobicContact CG2-CZ 3.69Å; I231-F290 HydrophobicContact CG2-CE2 4.23Å; I241-F290 HydrophobicContact CG2-CE2 3.69Å; I241-F290 HydrophobicContact CG2-CZ 3.88Å; W251-F290 AromaticContact CH2-CE1 3.95Å; W251-F290 HydrophobicContact CH2-CE1 3.95Å; W251-F290 HydrophobicContact CH2-CE2 4.37Å; W251-F290 AromaticContact CH2-CZ 3.65Å; W251-F290 HydrophobicContact CH2-CZ 3.65Å; W251-F290 HydrophobicContact CZ2-CE1 4.05Å; W251-F290 HydrophobicContact CZ2-CE2 4.1Å; W251-F290 AromaticContact CZ2-CZ 3.78Å; W251-F290 HydrophobicContact CZ2-CZ 3.78Å; I266-F290 HydrophobicContact CD1-CB 4.4Å; I266-F290 HydrophobicContact CD1-CD2 3.61Å; I266-F290 HydrophobicContact CD1-CE2 4.27Å; I266-F290 HydrophobicContact CD1-CG 4.24Å; N271-F290 HydrophobicContact CB-CB 4.37Å; N271-F290 WeakPolarHBondContact O-CB 3.3Å; N271-F290 PolarHBondContact O-N 2.85Å; I273-F290 HydrophobicContact CD1-CD2 4.06Å; I273-F290 HydrophobicContact CG1-CD2 4.36Å; W288-F290 PolarHBondContact O-N 2.88Å; F290-E292 PolarHBondContact O-N 3.27Å; F290-E292 VanDerWaalsContact O-N 3.15Å
291N91.9Very high88.4Confident26 Ų2650.9 Ų50.914%0.13925%0.246CC..  trans-88.386.2-172-164.1-22.5000111.8W251 Y253 K289 E293 L294 M295W251-N291 HydrophobicContact CZ2-CB 4.46Å; Y253-N291 PolarHBondContact OH-N 3.3Å; K289-N291 PolarHBondContact O-N 3.3Å; N291-E293 VanDerWaalsContact C-N 3.26Å; N291-E293 PolarHBondContact O-N 3.17Å; N291-E293 WeakPolarHBondContact OD1-CB 3.36Å; N291-E293 PolarHBondContact OD1-N 3.36Å; N291-L294 HydrophobicContact CB-CB 4.24Å; N291-L294 HydrophobicContact CB-CD1 3.93Å; N291-L294 HydrophobicContact CB-CG 4.16Å; N291-L294 VanDerWaalsContact ND2-CD1 3.35Å; N291-L294 WeakPolarHBondContact ND2-CD1 3.34Å; N291-L294 WeakPolarHBondContact ND2-CG 3.49Å; N291-L294 PolarHBondContact O-N 2.9Å; N291-L294 PolarHBondContact OD1-N 2.96Å; N291-M295 PolarHBondContact O-N 3.34Å
292E90.5Very high89Confident79 Ų7949.3 Ų49.337%0.36924%0.24SC..Hα-helixtrans-63.4-29.9177.5-174.2167.5-130.500113R219 Y226 F290 L294 M295 I296R219-E292 IonicContact NH1-OE1 3.74Å; Y226-E292 PolarHBondContact OH-OE1 3.4Å; F290-E292 PolarHBondContact O-N 3.27Å; F290-E292 VanDerWaalsContact O-N 3.15Å; E292-L294 VanDerWaalsContact C-N 3.34Å; E292-L294 PolarHBondContact O-N 2.93Å; E292-M295 HydrophobicContact CG-CE 4.3Å; E292-M295 WeakPolarHBondContact O-CB 3.41Å; E292-M295 PolarHBondContact O-N 2.82Å; E292-I296 HydrophobicContact CG-CD1 4.11Å; E292-I296 WeakPolarHBondContact O-CG1 3.4Å; E292-I296 PolarHBondContact O-N 3.05Å
293E89Confident88.8Confident139 Ų13946 Ų4665%0.6523%0.227SC*.Hα-helixtrans-64.6-40176.7-65.3169.5-160.900111.3N291 I296 E297N291-E293 VanDerWaalsContact C-N 3.26Å; N291-E293 PolarHBondContact O-N 3.17Å; N291-E293 WeakPolarHBondContact OD1-CB 3.36Å; N291-E293 PolarHBondContact OD1-N 3.36Å; E293-I296 PolarHBondContact O-N 2.84Å; E293-E297 WeakPolarHBondContact O-CB 3.48Å; E293-E297 PolarHBondContact O-N 2.69Å
294L87.5Confident88.1Confident33 Ų3352.5 Ų52.517%0.17326%0.256CS..Hα-helixtrans-66.4-37.7174.1-72.9178.5000112.3W251 N291 E292 I296 E297 F298W251-L294 HydrophobicContact CB-CD1 4.41Å; W251-L294 HydrophobicContact CD2-CB 4.35Å; W251-L294 HydrophobicContact CD2-CD1 4.22Å; W251-L294 HydrophobicContact CE3-CB 4.22Å; W251-L294 HydrophobicContact CG-CD1 4Å; W251-L294 HydrophobicContact CZ3-CB 4.45Å; N291-L294 HydrophobicContact CB-CB 4.24Å; N291-L294 HydrophobicContact CB-CD1 3.93Å; N291-L294 HydrophobicContact CB-CG 4.16Å; N291-L294 VanDerWaalsContact ND2-CD1 3.35Å; N291-L294 WeakPolarHBondContact ND2-CD1 3.34Å; N291-L294 WeakPolarHBondContact ND2-CG 3.49Å; N291-L294 PolarHBondContact O-N 2.9Å; N291-L294 PolarHBondContact OD1-N 2.96Å; E292-L294 VanDerWaalsContact C-N 3.34Å; E292-L294 PolarHBondContact O-N 2.93Å; L294-I296 VanDerWaalsContact C-N 3.32Å; L294-E297 PolarHBondContact O-N 2.96Å; L294-F298 WeakPolarHBondContact O-CB 3.49Å; L294-F298 PolarHBondContact O-N 2.84Å
295M88.2Confident86.9Confident5 Ų558.1 Ų58.13%0.02528%0.282CS..Hα-helixtrans-60.2-44.8174.2-173.6-168.279.100110.9D225 Y226 I229 W251 N291 E292 F298 Y299D225-M295 HydrophobicContact CB-CE 4.31Å; Y226-M295 HydrophobicContact CE1-SD 4.23Å; Y226-M295 HydrophobicContact CE2-CE 4.16Å; I229-M295 HydrophobicContact CD1-CG 4.5Å; I229-M295 HydrophobicContact CD1-SD 4.41Å; I229-M295 HydrophobicContact CG1-SD 4.18Å; W251-M295 HydrophobicContact CH2-CB 4.08Å; W251-M295 HydrophobicContact CZ3-CB 4.28Å; N291-M295 PolarHBondContact O-N 3.34Å; E292-M295 HydrophobicContact CG-CE 4.3Å; E292-M295 WeakPolarHBondContact O-CB 3.41Å; E292-M295 PolarHBondContact O-N 2.82Å; M295-F298 WeakPolarHBondContact O-CB 3.24Å; M295-F298 PolarHBondContact O-N 2.85Å; M295-Y299 HydrophobicContact CE-CE2 4.17Å; M295-Y299 HydrophobicContact CG-CD2 4Å; M295-Y299 HydrophobicContact CG-CE2 3.6Å; M295-Y299 WeakPolarHBondContact O-CD2 3.3Å; M295-Y299 PolarHBondContact O-N 3.26Å; M295-Y299 HydrophobicContact SD-CE2 4.02Å
296I88Confident85.8Confident83 Ų8361.3 Ų61.343%0.42632%0.316SS..Hα-helixtrans-67-45.7178.3-66.1164.6000111.3E292 E293 L294 F298 Y299 N300E292-I296 HydrophobicContact CG-CD1 4.11Å; E292-I296 WeakPolarHBondContact O-CG1 3.4Å; E292-I296 PolarHBondContact O-N 3.05Å; E293-I296 PolarHBondContact O-N 2.84Å; L294-I296 VanDerWaalsContact C-N 3.32Å; I296-F298 PolarHBondContact O-N 2.87Å; I296-Y299 PolarHBondContact O-N 2.83Å; I296-N300 WeakPolarHBondContact CG2-ND2 3.32Å; I296-N300 WeakPolarHBondContact O-CB 3.45Å; I296-N300 VanDerWaalsContact O-CG 3.27Å; I296-N300 PolarHBondContact O-N 2.89Å; I296-N300 PolarHBondContact O-ND2 3.13Å
297E84.1Confident84.5Confident90 Ų9068.7 Ų68.742%0.42136%0.355SS..Hα-helixtrans-56.9-39.7175-175.7178.7-179.600110.9E293 L294 S301 K320E293-E297 WeakPolarHBondContact O-CB 3.48Å; E293-E297 PolarHBondContact O-N 2.69Å; L294-E297 PolarHBondContact O-N 2.96Å; E297-S301 PolarHBondContact O-N 3.21Å; E297-S301 PolarHBondContact O-OG 2.91Å; E297-K320 IonicContact OE1-NZ 3.75Å
298F83.4Confident83.1Confident9 Ų973.8 Ų73.84%0.03938%0.379CS..Hα-helixtrans-64.5-51.7178.1-177.9-78.7000111.9Y246 L250 L294 M295 I296 N300 S301 A302 I311 I317Y246-F298 HydrophobicContact CD1-CE1 4.2Å; Y246-F298 AromaticContact CD1-CZ 3.81Å; Y246-F298 HydrophobicContact CD1-CZ 3.81Å; Y246-F298 HydrophobicContact CD2-CE1 4.2Å; Y246-F298 HydrophobicContact CD2-CZ 4.36Å; Y246-F298 AromaticContact CE1-CE1 3.65Å; Y246-F298 HydrophobicContact CE1-CE1 3.65Å; Y246-F298 AromaticContact CE1-CZ 3.62Å; Y246-F298 HydrophobicContact CE1-CZ 3.62Å; Y246-F298 AromaticContact CE2-CE1 3.64Å; Y246-F298 HydrophobicContact CE2-CE1 3.64Å; Y246-F298 HydrophobicContact CE2-CZ 4.18Å; Y246-F298 HydrophobicContact CG-CE1 4.42Å; Y246-F298 HydrophobicContact CG-CZ 4.14Å; Y246-F298 AromaticContact CZ-CE1 3.29Å; Y246-F298 AromaticContact CZ-CZ 3.78Å; Y246-F298 WeakPolarHBondContact OH-CE1 3.5Å; L250-F298 HydrophobicContact CB-CD2 4.19Å; L250-F298 HydrophobicContact CB-CE2 4.31Å; L250-F298 HydrophobicContact CD2-CD1 4.13Å; L250-F298 HydrophobicContact CD2-CD2 3.92Å; L250-F298 HydrophobicContact CD2-CE1 3.58Å; L250-F298 HydrophobicContact CD2-CE2 3.41Å; L250-F298 VanDerWaalsContact CD2-CE2 3.41Å; L250-F298 HydrophobicContact CD2-CG 4.31Å; L250-F298 HydrophobicContact CD2-CZ 3.26Å; L250-F298 HydrophobicContact CG-CE2 4.42Å; L294-F298 WeakPolarHBondContact O-CB 3.49Å; L294-F298 PolarHBondContact O-N 2.84Å; M295-F298 WeakPolarHBondContact O-CB 3.24Å; M295-F298 PolarHBondContact O-N 2.85Å; I296-F298 PolarHBondContact O-N 2.87Å; F298-N300 VanDerWaalsContact C-N 3.33Å; F298-N300 PolarHBondContact O-N 3.44Å; F298-S301 WeakPolarHBondContact O-CB 3.25Å; F298-S301 PolarHBondContact O-N 3.14Å; F298-A302 PolarHBondContact O-N 3.43Å; F298-A302 VanDerWaalsContact O-N 3.16Å; F298-I311 HydrophobicContact CE2-CD1 3.62Å; F298-I311 HydrophobicContact CE2-CG1 4.39Å; F298-I311 HydrophobicContact CZ-CD1 3.78Å; F298-I311 HydrophobicContact CZ-CG1 4.13Å; F298-I317 HydrophobicContact CB-CD1 3.9Å; F298-I317 HydrophobicContact CD1-CD1 4.32Å; F298-I317 HydrophobicContact CD2-CB 4.28Å; F298-I317 HydrophobicContact CD2-CD1 3.05Å; F298-I317 HydrophobicContact CD2-CG1 4.26Å; F298-I317 HydrophobicContact CD2-CG2 4.25Å; F298-I317 HydrophobicContact CE2-CD1 3.45Å; F298-I317 VanDerWaalsContact CE2-CD1 3.45Å; F298-I317 HydrophobicContact CG-CD1 3.5Å; F298-I317 VanDerWaalsContact CG-CD1 3.5Å; F298-I317 HydrophobicContact CZ-CD1 4.23Å
299Y85.2Confident82Confident48 Ų4874.4 Ų74.419%0.18838%0.382CS..Hα-helixtrans-64.9-34.9178.7-69.7-41.2000113.4D225 I229 D243 R245 M295 I296 S301 A302 L309D225-Y299 PolarHBondContact O-OH 2.86Å; D225-Y299 VanDerWaalsContact O-OH 3.14Å; I229-Y299 WeakPolarHBondContact CD1-OH 3.37Å; D243-Y299 WeakPolarHBondContact OD2-CE1 3.31Å; D243-Y299 PolarHBondContact OD2-OH 2.87Å; R245-Y299 PolarHBondContact NH2-OH 2.98Å; M295-Y299 HydrophobicContact CE-CE2 4.17Å; M295-Y299 HydrophobicContact CG-CD2 4Å; M295-Y299 HydrophobicContact CG-CE2 3.6Å; M295-Y299 WeakPolarHBondContact O-CD2 3.3Å; M295-Y299 PolarHBondContact O-N 3.26Å; M295-Y299 HydrophobicContact SD-CE2 4.02Å; I296-Y299 PolarHBondContact O-N 2.83Å; Y299-S301 PolarHBondContact O-N 3.31Å; Y299-A302 PolarHBondContact O-N 2.8Å; Y299-L309 HydrophobicContact CE1-CD1 4.35Å
300N85.8Confident80.9Confident128 Ų12870.1 Ų70.168%0.68437%0.367SS*.Hα-helixtrans-64.4-18.9173.6-74.3-29000113.4I296 F298I296-N300 WeakPolarHBondContact CG2-ND2 3.32Å; I296-N300 WeakPolarHBondContact O-CB 3.45Å; I296-N300 VanDerWaalsContact O-CG 3.27Å; I296-N300 PolarHBondContact O-N 2.89Å; I296-N300 PolarHBondContact O-ND2 3.13Å; F298-N300 VanDerWaalsContact C-N 3.33Å; F298-N300 PolarHBondContact O-N 3.44Å
301S83.2Confident79.7Confident30 Ų3072.6 Ų72.621%0.2138%0.38CS..Hα-helixtrans-99.5-12.3180-580000113.1E297 F298 Y299E297-S301 PolarHBondContact O-N 3.21Å; E297-S301 PolarHBondContact O-OG 2.91Å; F298-S301 WeakPolarHBondContact O-CB 3.25Å; F298-S301 PolarHBondContact O-N 3.14Å; Y299-S301 PolarHBondContact O-N 3.31Å
302A82.4Confident78.4Confident18 Ų1872.9 Ų72.915%0.14938%0.383CS..  trans-91.1150.7-17900000111.9Y246 F298 Y299 L309Y246-A302 HydrophobicContact CE1-CB 4.43Å; Y246-A302 WeakPolarHBondContact OH-CB 3.3Å; F298-A302 PolarHBondContact O-N 3.43Å; F298-A302 VanDerWaalsContact O-N 3.16Å; Y299-A302 PolarHBondContact O-N 2.8Å; A302-L309 HydrophobicContact CB-CD2 4.42Å
303E77.5Confident77.1Confident116 Ų11675.1 Ų75.154%0.54241%0.407SS..EExtended strand (participates in β ladder)trans-119141.8173.6-68.5-177.717900110.3S310 P312E303-S310 PolarHBondContact N-O 3.27Å; E303-S310 PolarHBondContact O-N 2.63Å; E303-P312 HydrophobicContact CB-CG 4.5Å; E303-P312 HydrophobicContact CG-CG 3.98Å
304H73.3Confident75.5Confident142 Ų14272.1 Ų72.166%0.65741%0.413SS*.EExtended strand (participates in β ladder)trans-73.5124.3172.3-84.5-74.6000111L309H304-L309 HydrophobicContact CB-CD2 4.42Å; H304-L309 VanDerWaalsContact CE1-CD2 3.42Å; H304-L309 WeakPolarHBondContact CE1-CD2 3.17Å; H304-L309 WeakPolarHBondContact ND1-CD2 3.25Å
305Q67.5Low74Confident126 Ų12678.3 Ų78.359%0.58944%0.435SS*.EExtended strand (participates in β ladder)trans-118.195.9168.7-70.6-170.86.600109.5D307 Q308 S310Q305-D307 PolarHBondContact O-N 3.19Å; Q305-Q308 CarbonylContact C-O 3.54Å; Q305-Q308 PolarHBondContact N-O 2.76Å; Q305-Q308 PolarHBondContact O-N 3.49Å; Q305-Q308 VanDerWaalsContact O-N 3.13Å; Q305-Q308 VanDerWaalsContact O-O 3.11Å; Q305-S310 WeakPolarHBondContact CG-OG 3.49Å; Q305-S310 PolarHBondContact NE2-OG 3.09Å
306G72.7Confident72.4Confident69 Ų6984.5 Ų84.571%0.71146%0.463SS*.THydrogen-bonded Turntrans61.3-130-171.100000110.9Q308G306-Q308 VanDerWaalsContact C-N 3.32Å
307D66.6Low70.6Confident166 Ų16682.1 Ų82.189%0.88845%0.451SS*.THydrogen-bonded Turntrans-84-4.7176.5-64-29000113.5Q305Q305-D307 PolarHBondContact O-N 3.19Å
308Q66.2Low68.9Low120 Ų12082.9 Ų82.956%0.56146%0.457SS*.EExtended strand (participates in β ladder)trans-104.5150.3-178.8-66.6-174.8-5.800110.8Q305 G306Q305-Q308 CarbonylContact C-O 3.54Å; Q305-Q308 PolarHBondContact N-O 2.76Å; Q305-Q308 PolarHBondContact O-N 3.49Å; Q305-Q308 VanDerWaalsContact O-N 3.13Å; Q305-Q308 VanDerWaalsContact O-O 3.11Å; G306-Q308 VanDerWaalsContact C-N 3.32Å
309L71.2Confident67.3Low16 Ų1682.9 Ų82.98%0.08446%0.458CS..EExtended strand (participates in β ladder)trans-99.4142.9169.4-75.9165.6000109.9Y246 Y299 A302 H304Y246-L309 HydrophobicContact CE1-CB 3.65Å; Y246-L309 HydrophobicContact CE2-CB 3.7Å; Y246-L309 HydrophobicContact CE2-CD1 3.79Å; Y246-L309 HydrophobicContact CE2-CG 4.39Å; Y246-L309 WeakPolarHBondContact OH-CB 3.42Å; Y246-L309 VanDerWaalsContact OH-CD1 3.24Å; Y246-L309 WeakPolarHBondContact OH-CD1 3.25Å; Y299-L309 HydrophobicContact CE1-CD1 4.35Å; A302-L309 HydrophobicContact CB-CD2 4.42Å; H304-L309 HydrophobicContact CB-CD2 4.42Å; H304-L309 VanDerWaalsContact CE1-CD2 3.42Å; H304-L309 WeakPolarHBondContact CE1-CD2 3.17Å; H304-L309 WeakPolarHBondContact ND1-CD2 3.25Å
310S70.8Confident65.6Low27 Ų2787.6 Ų87.619%0.18948%0.479CS..EExtended strand (participates in β ladder)trans-138.3149.7177.466.50000110.6E303 Q305E303-S310 PolarHBondContact N-O 3.27Å; E303-S310 PolarHBondContact O-N 2.63Å; Q305-S310 WeakPolarHBondContact CG-OG 3.49Å; Q305-S310 PolarHBondContact NE2-OG 3.09Å
311I67.7Low63.9Low55 Ų5582.9 Ų82.928%0.28245%0.453SS..PPolyproline II helixtrans-92.1125.5168.1-56168.5000107.1Y246 F298 S313 R315 I317Y246-I311 HydrophobicContact CE1-CG1 4.37Å; F298-I311 HydrophobicContact CE2-CD1 3.62Å; F298-I311 HydrophobicContact CE2-CG1 4.39Å; F298-I311 HydrophobicContact CZ-CD1 3.78Å; F298-I311 HydrophobicContact CZ-CG1 4.13Å; I311-S313 PolarHBondContact O-N 2.8Å; I311-R315 HydrophobicContact CG2-CB 4.19Å; I311-R315 WeakPolarHBondContact CG2-O 3.35Å; I311-I317 HydrophobicContact CD1-CB 4.3Å; I311-I317 HydrophobicContact CD1-CD1 3.71Å; I311-I317 HydrophobicContact CD1-CG1 4.05Å; I311-I317 HydrophobicContact CG1-CD1 4.17Å
312P65.5Low62.1Low32 Ų3282.8 Ų82.821%0.20845%0.451CS..PPolyproline II helixtrans-54136.7174.7-26.334.8000112E303 G314 R315E303-P312 HydrophobicContact CB-CG 4.5Å; E303-P312 HydrophobicContact CG-CG 3.98Å; P312-G314 PolarHBondContact O-N 2.86Å; P312-R315 PolarHBondContact O-N 2.87Å
313S63.5Low60.5Low125 Ų12583.4 Ų83.487%0.87446%0.459SS*.THydrogen-bonded Turntrans-55.8128176.754.60000111.1I311I311-S313 PolarHBondContact O-N 2.8Å
314G56.4Low59Low76 Ų7681.7 Ų81.778%0.78447%0.465SS*.THydrogen-bonded Turntrans90.2-8.9-174.900000115.1P312P312-G314 PolarHBondContact O-N 2.86Å
315R54.5Low57.8Low164 Ų16482.9 Ų82.962%0.61948%0.475SS*.  trans-102.532163-70.5-158.1-178.9-142.85.5111.6I311 P312 I317I311-R315 HydrophobicContact CG2-CB 4.19Å; I311-R315 WeakPolarHBondContact CG2-O 3.35Å; P312-R315 PolarHBondContact O-N 2.87Å; R315-I317 PolarHBondContact O-N 3.39Å
316E54.1Low57.2Low134 Ų13484.2 Ų84.263%0.62648%0.476SS*.  trans-44.3120.1173-74.3-178.7-17100108I318E316-I318 HydrophobicContact CB-CG1 4.3Å; E316-I318 PolarHBondContact O-N 2.7Å
317I51.4Low56.8Low34 Ų3484.2 Ų84.217%0.17446%0.455CS..  trans-71.483.2164.5-58.9164.5000102.7F298 I311 R315 N319F298-I317 HydrophobicContact CB-CD1 3.9Å; F298-I317 HydrophobicContact CD1-CD1 4.32Å; F298-I317 HydrophobicContact CD2-CB 4.28Å; F298-I317 HydrophobicContact CD2-CD1 3.05Å; F298-I317 HydrophobicContact CD2-CG1 4.26Å; F298-I317 HydrophobicContact CD2-CG2 4.25Å; F298-I317 HydrophobicContact CE2-CD1 3.45Å; F298-I317 VanDerWaalsContact CE2-CD1 3.45Å; F298-I317 HydrophobicContact CG-CD1 3.5Å; F298-I317 VanDerWaalsContact CG-CD1 3.5Å; F298-I317 HydrophobicContact CZ-CD1 4.23Å; I311-I317 HydrophobicContact CD1-CB 4.3Å; I311-I317 HydrophobicContact CD1-CD1 3.71Å; I311-I317 HydrophobicContact CD1-CG1 4.05Å; I311-I317 HydrophobicContact CG1-CD1 4.17Å; R315-I317 PolarHBondContact O-N 3.39Å; I317-N319 PolarHBondContact O-N 3.27Å
318I48.8Very low57.1Low105 Ų10577.9 Ų77.954%0.53842%0.423SS..  trans-55.1106.6157.8-57.9171.5000101.1E316 K320E316-I318 HydrophobicContact CB-CG1 4.3Å; E316-I318 PolarHBondContact O-N 2.7Å; I318-K320 PolarHBondContact O-N 3.25Å
319N49.9Very low58.1Low10 Ų1080.7 Ų80.75%0.05343%0.434CS..  trans-54.997.9163.61719.6000104W251 I252 I317 Q321 T322W251-N319 WeakPolarHBondContact CA-ND2 3.42Å; W251-N319 HydrophobicContact CB-CB 4.43Å; W251-N319 WeakPolarHBondContact CB-ND2 3.47Å; I252-N319 PolarHBondContact N-ND2 3.19Å; I317-N319 PolarHBondContact O-N 3.27Å; N319-Q321 PolarHBondContact O-N 2.65Å; N319-Q321 VanDerWaalsContact OD1-CA 3.31Å; N319-Q321 WeakPolarHBondContact OD1-CA 3.43Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.45Å; N319-Q321 WeakPolarHBondContact OD1-CG 3.34Å; N319-Q321 PolarHBondContact OD1-N 3.41Å; N319-T322 HydrophobicContact CB-CG2 3.83Å; N319-T322 WeakPolarHBondContact O-CB 3.4Å; N319-T322 WeakPolarHBondContact O-CG2 3.23Å; N319-T322 PolarHBondContact O-N 3.44Å; N319-T322 PolarHBondContact O-OG1 3.04Å
320K48.2Very low59Low146 Ų14681.1 Ų81.164%0.63544%0.438SS*.G310 helixtrans-59.4-16.6-178.5-69.2173.3-175153.70109.8E297 I318 T322 Y326E297-K320 IonicContact OE1-NZ 3.75Å; I318-K320 PolarHBondContact O-N 3.25Å; K320-T322 VanDerWaalsContact C-N 3.31Å; K320-Y326 WeakPolarHBondContact O-CB 3.32Å; K320-Y326 VanDerWaalsContact O-CD2 3.31Å; K320-Y326 WeakPolarHBondContact O-CD2 3.21Å
321Q50.5Low60Low29 Ų2983.9 Ų83.914%0.13645%0.453CS..G310 helixtrans-79.21.2171.3-43.6-169.5-22.300114.5N319 G323 Y326 Y327 C328N319-Q321 PolarHBondContact O-N 2.65Å; N319-Q321 VanDerWaalsContact OD1-CA 3.31Å; N319-Q321 WeakPolarHBondContact OD1-CA 3.43Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.45Å; N319-Q321 WeakPolarHBondContact OD1-CG 3.34Å; N319-Q321 PolarHBondContact OD1-N 3.41Å; Q321-G323 VanDerWaalsContact C-N 3.28Å; Q321-G323 PolarHBondContact O-N 3.17Å; Q321-Y326 WeakPolarHBondContact CB-O 3.38Å; Q321-Y327 WeakPolarHBondContact O-CD1 3.47Å; Q321-Y327 WeakPolarHBondContact O-CE1 3.3Å; Q321-C328 VanDerWaalsContact CD-SG 3.52Å; Q321-C328 PolarHBondContact NE2-SG 2.97Å; Q321-C328 PolarHBondContact OE1-SG 2.77Å
322T46Very low61.2Low29 Ų2982.7 Ų82.718%0.17845%0.451CS..G310 helixtrans-73.8-17.6174.948.50000113.4N319 K320 Y327N319-T322 HydrophobicContact CB-CG2 3.83Å; N319-T322 WeakPolarHBondContact O-CB 3.4Å; N319-T322 WeakPolarHBondContact O-CG2 3.23Å; N319-T322 PolarHBondContact O-N 3.44Å; N319-T322 PolarHBondContact O-OG1 3.04Å; K320-T322 VanDerWaalsContact C-N 3.31Å; T322-Y327 VanDerWaalsContact C-CE1 3.49Å; T322-Y327 VanDerWaalsContact O-CE1 3.26Å; T322-Y327 WeakPolarHBondContact O-CE1 2.83Å; T322-Y327 PolarHBondContact O-OH 2.85Å
323G47.5Very low62.4Low31 Ų3185.7 Ų85.732%0.3246%0.462SS..SBendtrans-76.3137.1170.800000111.3Q321 L325 Y326Q321-G323 VanDerWaalsContact C-N 3.28Å; Q321-G323 PolarHBondContact O-N 3.17Å; G323-L325 PolarHBondContact O-N 2.89Å; G323-Y326 PolarHBondContact O-N 2.84Å
324A47.6Very low63.8Low80 Ų8080.1 Ų80.166%0.66142%0.423SS*.THydrogen-bonded Turntrans-53-23.4-177.200000116Y326 Y327A324-Y326 VanDerWaalsContact C-N 3.32Å; A324-Y327 HydrophobicContact CB-CD2 4.39Å; A324-Y327 HydrophobicContact CB-CE2 3.85Å
325L46.8Very low65.3Low166 Ų16681 Ų8187%0.86941%0.414SS*.THydrogen-bonded Turntrans-76.7-15.6177.2-67.9169.9000114.1G323G323-L325 PolarHBondContact O-N 2.89Å
326Y54.9Low66.8Low154 Ų15474.9 Ų74.960%0.60439%0.393SS*.SBendtrans-116.74.1-170.8-60.7-73.8000113.5K320 Q321 G323 A324 C328K320-Y326 WeakPolarHBondContact O-CB 3.32Å; K320-Y326 VanDerWaalsContact O-CD2 3.31Å; K320-Y326 WeakPolarHBondContact O-CD2 3.21Å; Q321-Y326 WeakPolarHBondContact CB-O 3.38Å; G323-Y326 PolarHBondContact O-N 2.84Å; A324-Y326 VanDerWaalsContact C-N 3.32Å; Y326-C328 PolarHBondContact O-N 2.91Å
327Y65.2Low68Low70 Ų7071.9 Ų71.928%0.27538%0.381SS..PPolyproline II helixtrans-61.4125.7176.6-62-34.1000110.7Y254 Q321 T322 A324 K329Y254-Y327 HydrophobicContact CD1-CE2 4.29Å; Y254-Y327 AromaticContact CD2-CD1 3.14Å; Y254-Y327 HydrophobicContact CD2-CD1 3.14Å; Y254-Y327 AromaticContact CD2-CD2 3.89Å; Y254-Y327 HydrophobicContact CD2-CD2 3.89Å; Y254-Y327 AromaticContact CD2-CE1 3.12Å; Y254-Y327 HydrophobicContact CD2-CE1 3.12Å; Y254-Y327 AromaticContact CD2-CE2 3.74Å; Y254-Y327 HydrophobicContact CD2-CE2 3.74Å; Y254-Y327 AromaticContact CD2-CG 3.63Å; Y254-Y327 HydrophobicContact CD2-CG 3.63Å; Y254-Y327 AromaticContact CD2-CZ 3.43Å; Y254-Y327 VanDerWaalsContact CD2-CZ 3.43Å; Y254-Y327 AromaticContact CE2-CD1 3.39Å; Y254-Y327 HydrophobicContact CE2-CD1 3.39Å; Y254-Y327 AromaticContact CE2-CE1 2.85Å; Y254-Y327 HydrophobicContact CE2-CE1 2.85Å; Y254-Y327 HydrophobicContact CE2-CE2 4.01Å; Y254-Y327 HydrophobicContact CE2-CG 4.26Å; Y254-Y327 AromaticContact CE2-CZ 3.22Å; Y254-Y327 HydrophobicContact CG-CD1 4.11Å; Y254-Y327 HydrophobicContact CG-CD2 4.06Å; Y254-Y327 HydrophobicContact CG-CE1 4.05Å; Y254-Y327 AromaticContact CG-CE2 3.85Å; Y254-Y327 HydrophobicContact CG-CE2 3.85Å; Y254-Y327 HydrophobicContact CG-CG 4.21Å; Y254-Y327 AromaticContact CG-CZ 3.93Å; Y254-Y327 AromaticContact CZ-CE1 3.64Å; Y254-Y327 AromaticContact CZ-CZ 3.54Å; Y254-Y327 PolarHBondContact OH-OH 3.03Å; Q321-Y327 WeakPolarHBondContact O-CD1 3.47Å; Q321-Y327 WeakPolarHBondContact O-CE1 3.3Å; T322-Y327 VanDerWaalsContact C-CE1 3.49Å; T322-Y327 VanDerWaalsContact O-CE1 3.26Å; T322-Y327 WeakPolarHBondContact O-CE1 2.83Å; T322-Y327 PolarHBondContact O-OH 2.85Å; A324-Y327 HydrophobicContact CB-CD2 4.39Å; A324-Y327 HydrophobicContact CB-CE2 3.85Å; Y327-K329 PolarHBondContact O-N 3.2Å; Y327-K329 VanDerWaalsContact O-N 3.16Å
328C73.5Confident69.2Low33 Ų3376.3 Ų76.322%0.22341%0.41CS..PPolyproline II helixtrans-58.8118.7168.6-720000108.8Y253 W288 Q321 Y326Y253-C328 HydrophobicContact CD1-CB 3.55Å; Y253-C328 HydrophobicContact CE1-CB 3.54Å; W288-C328 WeakPolarHBondContact CZ3-O 3.13Å; Q321-C328 VanDerWaalsContact CD-SG 3.52Å; Q321-C328 PolarHBondContact NE2-SG 2.97Å; Q321-C328 PolarHBondContact OE1-SG 2.77Å; Y326-C328 PolarHBondContact O-N 2.91Å
329K85.7Confident70.5Confident179 Ų17981.2 Ų81.278%0.77842%0.423SS*.PPolyproline II helixtrans-74.4158.7170-67.4-174.2179-178.40110.2Y327 V331Y327-K329 PolarHBondContact O-N 3.2Å; Y327-K329 VanDerWaalsContact O-N 3.16Å; K329-V331 PolarHBondContact O-N 2.87Å
330P91.1Very high71.5Confident25 Ų2583.3 Ų83.316%0.16244%0.435CS..PPolyproline II helixtrans-52.8140164.2-21.732000110.3Q286 V287 W288 A332 E333Q286-P330 HydrophobicContact CB-CB 4.21Å; Q286-P330 HydrophobicContact CB-CG 4.05Å; Q286-P330 HydrophobicContact CG-CB 4.47Å; Q286-P330 HydrophobicContact CG-CG 3.98Å; V287-P330 CarbonylContact O-C 3.57Å; V287-P330 WeakPolarHBondContact O-CA 3.45Å; V287-P330 WeakPolarHBondContact O-CB 3.18Å; W288-P330 HydrophobicContact CD2-CB 4.45Å; W288-P330 HydrophobicContact CD2-CG 4.3Å; W288-P330 HydrophobicContact CE3-CB 4.33Å; W288-P330 HydrophobicContact CE3-CG 3.98Å; W288-P330 HydrophobicContact CH2-CG 3.52Å; W288-P330 HydrophobicContact CZ2-CG 3.83Å; W288-P330 HydrophobicContact CZ3-CB 4.42Å; W288-P330 VanDerWaalsContact CZ3-CD 3.4Å; W288-P330 HydrophobicContact CZ3-CG 3.6Å; P330-A332 VanDerWaalsContact C-N 3.31Å; P330-A332 WeakPolarHBondContact CB-O 3.49Å; P330-E333 HydrophobicContact CB-CG 3.69Å; P330-E333 HydrophobicContact CG-CG 3.97Å
331V91.8Very high72.8Confident85 Ų8578.5 Ų78.552%0.51543%0.427SS..SBendtrans-77.6-23.4171.8-65.70000111.8V287 K289 K329V287-V331 HydrophobicContact CB-CG2 4.23Å; V287-V331 HydrophobicContact CG1-CG2 3.93Å; V287-V331 VanDerWaalsContact O-CG2 3.32Å; V287-V331 WeakPolarHBondContact O-CG2 3.37Å; V287-V331 PolarHBondContact O-N 3.04Å; K289-V331 HydrophobicContact CB-CG1 3.87Å; K329-V331 PolarHBondContact O-N 2.87Å
332A91.4Very high74.3Confident30 Ų3079.4 Ų79.425%0.24844%0.435CS..EExtended strand (participates in β ladder)trans-149.4151.7170.600000110V287 P330 L374V287-A332 HydrophobicContact CB-CB 4.13Å; V287-A332 HydrophobicContact CG2-CB 4.28Å; V287-A332 PolarHBondContact N-O 3.33Å; V287-A332 PolarHBondContact O-N 3.49Å; P330-A332 VanDerWaalsContact C-N 3.31Å; P330-A332 WeakPolarHBondContact CB-O 3.49Å; A332-L374 HydrophobicContact CB-CD1 4.35Å
333E91.8Very high76.3Confident94 Ų9478.6 Ų78.644%0.43943%0.43SS..EExtended strand (participates in β ladder)trans-134.5139.6173.8-62.1-170.8-147.200108.9S283 L285 Q286 P330S283-E333 WeakPolarHBondContact CB-OE2 3.44Å; S283-E333 PolarHBondContact OG-OE2 2.95Å; L285-E333 WeakPolarHBondContact O-CA 3.36Å; Q286-E333 HydrophobicContact CG-CG 4.11Å; P330-E333 HydrophobicContact CB-CG 3.69Å; P330-E333 HydrophobicContact CG-CG 3.97Å
334I92.1Very high78.4Confident9 Ų979.1 Ų79.15%0.04642%0.424CS..EExtended strand (participates in β ladder)trans-102.6114.2172.6-61.3158.4000106.7S283 I284 L285 I356 I369 L374S283-I334 CarbonylContact C-O 3.6Å; S283-I334 VanDerWaalsContact CA-O 3.23Å; S283-I334 WeakPolarHBondContact CA-O 3.37Å; S283-I334 VanDerWaalsContact CB-O 3.24Å; S283-I334 WeakPolarHBondContact CB-O 3.45Å; I284-I334 HydrophobicContact CD1-CG2 3.97Å; I284-I334 HydrophobicContact CG1-CB 4.21Å; I284-I334 HydrophobicContact CG1-CG2 3.9Å; I284-I334 WeakPolarHBondContact CG1-O 3.46Å; I284-I334 PolarHBondContact N-O 2.89Å; L285-I334 HydrophobicContact CB-CB 4.14Å; L285-I334 HydrophobicContact CB-CD1 3.91Å; L285-I334 HydrophobicContact CB-CG1 4.41Å; L285-I334 HydrophobicContact CD1-CD1 3.52Å; L285-I334 HydrophobicContact CG-CD1 4.35Å; L285-I334 PolarHBondContact N-O 2.76Å; L285-I334 PolarHBondContact O-N 3.49Å; I334-I356 HydrophobicContact CD1-CD1 4.37Å; I334-I369 HydrophobicContact CD1-CD1 4.21Å; I334-I369 HydrophobicContact CD1-CG2 3.94Å; I334-I369 HydrophobicContact CG2-CD1 4.31Å; I334-L374 HydrophobicContact CD1-CD2 4.25Å; I334-L374 HydrophobicContact CG1-CB 4.35Å; I334-L374 HydrophobicContact CG1-CD2 4.41Å
335P89.2Confident80.7Confident93 Ų9375.3 Ų75.360%0.60439%0.392SS*.EExtended strand (participates in β ladder)trans-67.9153.2-173.828.7-34.7000111.2K282K282-P335 WeakPolarHBondContact O-CA 3.34Å
336Q84.4Confident83.1Confident37 Ų3769.3 Ų69.317%0.17336%0.358CS..PPolyproline II helixtrans-68.3134162.3-172.5171.9-2.600109.2K282 I284 T338 G341 P342K282-Q336 PolarHBondContact O-N 3.23Å; I284-Q336 HydrophobicContact CG2-CB 3.91Å; I284-Q336 HydrophobicContact CG2-CG 4.1Å; Q336-T338 PolarHBondContact O-N 3.17Å; Q336-G341 VanDerWaalsContact NE2-C 3.28Å; Q336-G341 PolarHBondContact NE2-O 2.9Å; Q336-P342 VanDerWaalsContact NE2-CA 3.28Å; Q336-P342 VanDerWaalsContact NE2-CB 3.35Å; Q336-P342 VanDerWaalsContact NE2-N 3.19Å
337D80.3Confident85.2Confident71 Ų7162 Ų6238%0.3833%0.329SS..PPolyproline II helixtrans-65.1129.6172.9-164.7-34.3000109.3Y339 D340D337-Y339 PolarHBondContact O-N 3.4Å; D337-Y339 VanDerWaalsContact OD1-CD2 3.28Å; D337-Y339 WeakPolarHBondContact OD1-CD2 3.33Å; D337-Y339 PolarHBondContact OD1-N 2.86Å; D337-D340 HydrophobicContact CB-CB 4.14Å; D337-D340 PolarHBondContact O-N 3.16Å
338T75.6Confident86.7Confident126 Ų12658.6 Ų58.677%0.77332%0.316SS*.THydrogen-bonded Turntrans-63.5-23.4179.446.10000113.5Q336Q336-T338 PolarHBondContact O-N 3.17Å
339Y76.2Confident87.8Confident208 Ų20858.2 Ų58.282%0.81631%0.311SS*.THydrogen-bonded Turntrans-88.2-22.6179.5-59.7-72.9000113D337D337-Y339 PolarHBondContact O-N 3.4Å; D337-Y339 VanDerWaalsContact OD1-CD2 3.28Å; D337-Y339 WeakPolarHBondContact OD1-CD2 3.33Å; D337-Y339 PolarHBondContact OD1-N 2.86Å
340D71.8Confident88.2Confident55 Ų5550.4 Ų50.429%0.29428%0.277SS..SBendtrans-81.3142.3174.9-70.3-24.5000110.2D337 K367D337-D340 HydrophobicContact CB-CB 4.14Å; D337-D340 PolarHBondContact O-N 3.16Å; D340-K367 WeakPolarHBondContact OD2-CE 3.32Å; D340-K367 IonicContact OD2-NZ 3.16Å; D340-K367 PolarHBondContact OD2-NZ 2.87Å
341G76.1Confident88.3Confident45 Ų4549.3 Ų49.346%0.46427%0.269SS..  trans-61.4156.1169.900000111.8Q336 S343Q336-G341 VanDerWaalsContact NE2-C 3.28Å; Q336-G341 PolarHBondContact NE2-O 2.9Å; G341-S343 PolarHBondContact O-N 2.83Å
342P82.2Confident88Confident47 Ų4746.4 Ų46.431%0.30526%0.256SS..  trans-2.9113.315141.4-32.1000118R280 Q336 D362 A363R280-P342 HydrophobicContact CG-CB 4.17Å; Q336-P342 VanDerWaalsContact NE2-CA 3.28Å; Q336-P342 VanDerWaalsContact NE2-CB 3.35Å; Q336-P342 VanDerWaalsContact NE2-N 3.19Å; P342-D362 WeakPolarHBondContact O-CB 3.49Å; P342-A363 WeakPolarHBondContact O-CB 3.38Å; P342-A363 PolarHBondContact O-N 2.87Å
343S86.9Confident87.8Confident12 Ų1247.5 Ų47.58%0.08426%0.261CS..EExtended strand (participates in β ladder)trans-121.4125.4161.7-167.80000110.9G341 F358 S361G341-S343 PolarHBondContact O-N 2.83Å; S343-F358 WeakPolarHBondContact OG-CE1 3.3Å; S343-F358 WeakPolarHBondContact OG-CZ 3.45Å; S343-S361 WeakPolarHBondContact CA-O 3.38Å; S343-S361 PolarHBondContact OG-O 2.82Å
344K92.5Very high87.6Confident43 Ų4346.8 Ų46.819%0.18726%0.255CS..EExtended strand (participates in β ladder)trans-90.3108.4172.4-56.5-171.9-174139.90107.9W278 Y346 G360 S361 D362W278-K344 HydrophobicContact CD2-CB 4.47Å; W278-K344 HydrophobicContact CD2-CD 3.93Å; W278-K344 VanDerWaalsContact CE2-CD 3.43Å; W278-K344 HydrophobicContact CE3-CD 4.4Å; W278-K344 HydrophobicContact CG-CB 4.15Å; W278-K344 HydrophobicContact CG-CD 4.45Å; W278-K344 HydrophobicContact CH2-CD 4.07Å; W278-K344 HydrophobicContact CZ2-CD 3.53Å; W278-K344 HydrophobicContact CZ3-CD 4.47Å; W278-K344 VanDerWaalsContact O-CB 3.31Å; W278-K344 WeakPolarHBondContact O-CB 3.1Å; W278-K344 VanDerWaalsContact O-CG 3.24Å; W278-K344 WeakPolarHBondContact O-CG 3.49Å; K344-Y346 WeakPolarHBondContact O-CD2 3.38Å; K344-G360 CarbonylContact O-C 3.52Å; K344-G360 WeakPolarHBondContact O-CA 3.2Å; K344-S361 PolarHBondContact N-O 2.86Å; K344-S361 VanDerWaalsContact N-O 3.08Å; K344-S361 PolarHBondContact O-N 3.06Å; K344-D362 WeakPolarHBondContact CE-OD1 3.34Å; K344-D362 WeakPolarHBondContact CE-OD2 3.29Å; K344-D362 IonicContact NZ-OD1 3.71Å; K344-D362 PolarHBondContact NZ-OD1 3.4Å; K344-D362 IonicContact NZ-OD2 3.92Å
345G95.2Very high87.7Confident0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-67.2133.1-175.500000112.7S277S277-G345 PolarHBondContact O-N 2.92Å
346Y97.3Very high88Confident39 Ų3942.2 Ų42.215%0.15323%0.225CC..EExtended strand (participates in β ladder)trans-124.4-19.1168.4-67.1-79.2000112.5C259 D262 A263 W278 K344 G359 I387 Y388C259-Y346 HydrophobicContact CB-CD1 4.31Å; C259-Y346 HydrophobicContact CB-CE1 4.21Å; C259-Y346 WeakPolarHBondContact O-CA 3.3Å; C259-Y346 WeakPolarHBondContact O-CD1 3.34Å; D262-Y346 CarbonylContact C-O 3.53Å; D262-Y346 VanDerWaalsContact C-O 3.3Å; A263-Y346 PolarHBondContact N-O 2.87Å; A263-Y346 VanDerWaalsContact N-O 3.08Å; W278-Y346 AromaticContact CD1-CE1 3.52Å; W278-Y346 AromaticContact CD1-CZ 3.39Å; W278-Y346 AromaticContact NE1-CE1 3.74Å; W278-Y346 AromaticContact NE1-CZ 3.26Å; W278-Y346 VanDerWaalsContact NE1-CZ 3.26Å; W278-Y346 PolarHBondContact NE1-OH 3.23Å; K344-Y346 WeakPolarHBondContact O-CD2 3.38Å; Y346-G359 PolarHBondContact N-O 2.94Å; Y346-I387 WeakPolarHBondContact CB-O 3.39Å; Y346-Y388 HydrophobicContact CD1-CD1 4.41Å; Y346-Y388 HydrophobicContact CD2-CD1 4.04Å; Y346-Y388 HydrophobicContact CD2-CE1 4.21Å; Y346-Y388 HydrophobicContact CE2-CD1 4.23Å; Y346-Y388 AromaticContact CE2-CE1 3.99Å; Y346-Y388 HydrophobicContact CE2-CE1 3.99Å; Y346-Y388 HydrophobicContact CG-CD1 4.14Å
347V98.2Very high88.6Confident0 Ų040.5 Ų40.50%022%0.217CC..EExtended strand (participates in β ladder)trans-127.4126.3-178.8179.50000109.2D262 K349 F358 G359 I387 L390D262-V347 HydrophobicContact CB-CG1 4.46Å; D262-V347 HydrophobicContact CB-CG2 4.18Å; D262-V347 CarbonylContact O-C 3.56Å; D262-V347 WeakPolarHBondContact O-CA 3.22Å; V347-K349 HydrophobicContact CG1-CB 4.24Å; V347-K349 HydrophobicContact CG1-CG 3.64Å; V347-F358 WeakPolarHBondContact O-CA 3.36Å; V347-G359 PolarHBondContact N-O 3.08Å; V347-G359 PolarHBondContact O-N 3.39Å; V347-I387 HydrophobicContact CG2-CG2 3.99Å; V347-L390 HydrophobicContact CG1-CB 3.77Å
348A97.8Very high89.4Confident0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-142.688.9172.500000107.1D262 L274 C276 L285 A357D262-A348 CarbonylContact O-C 3.47Å; D262-A348 PolarHBondContact O-N 2.93Å; L274-A348 HydrophobicContact CD2-CB 4.18Å; L274-A348 HydrophobicContact CG-CB 4.1Å; C276-A348 HydrophobicContact CB-CB 3.82Å; L285-A348 HydrophobicContact CD2-CB 3.39Å; A348-A357 WeakPolarHBondContact CA-O 3.31Å
349K96.6Very high90.4Very high25 Ų2531.3 Ų31.311%0.10916%0.163CC..EExtended strand (participates in β ladder)trans-122.5133.1-168.1-68.6-72.9-66.6173.50112.6D262 E265 V347 I356 A357D262-K349 HydrophobicContact CB-CD 4.02Å; D262-K349 HydrophobicContact CB-CG 4.17Å; E265-K349 VanDerWaalsContact CD-NZ 3.32Å; E265-K349 IonicContact OE1-NZ 3.89Å; E265-K349 PolarHBondContact OE1-NZ 2.83Å; E265-K349 WeakPolarHBondContact OE2-CA 3.38Å; E265-K349 WeakPolarHBondContact OE2-CD 3.47Å; E265-K349 WeakPolarHBondContact OE2-CE 3.42Å; E265-K349 IonicContact OE2-NZ 2.73Å; V347-K349 HydrophobicContact CG1-CB 4.24Å; V347-K349 HydrophobicContact CG1-CG 3.64Å; K349-I356 CarbonylContact O-C 3.45Å; K349-I356 VanDerWaalsContact O-CA 3.32Å; K349-I356 WeakPolarHBondContact O-CA 3.43Å; K349-A357 HydrophobicContact CB-CB 4.39Å; K349-A357 PolarHBondContact N-O 2.84Å; K349-A357 PolarHBondContact O-N 2.87Å
350W94Very high91.3Very high15 Ų1521.4 Ų21.46%0.05712%0.124CC..EExtended strand (participates in β ladder)trans-70.2131.5164.5-62.7100.7000109.4E265 E267 H272 L274 I356 R371 F392E265-W350 PolarHBondContact OE2-N 3.34Å; E267-W350 HydrophobicContact CB-CD2 4.09Å; E267-W350 HydrophobicContact CB-CG 4.03Å; E267-W350 HydrophobicContact CG-CD2 4.18Å; E267-W350 HydrophobicContact CG-CG 4.12Å; H272-W350 HydrophobicContact CB-CZ2 4.33Å; L274-W350 HydrophobicContact CB-CZ2 3.95Å; L274-W350 VanDerWaalsContact CB-NE1 3.35Å; L274-W350 HydrophobicContact CD1-CZ2 4.37Å; L274-W350 HydrophobicContact CD2-CD2 4.29Å; L274-W350 HydrophobicContact CD2-CG 4.4Å; L274-W350 HydrophobicContact CD2-CZ2 4.49Å; L274-W350 HydrophobicContact CG-CZ2 4.5Å; W350-I356 HydrophobicContact CD2-CG1 4.38Å; W350-I356 HydrophobicContact CE3-CD1 4.12Å; W350-I356 HydrophobicContact CE3-CG1 3.54Å; W350-I356 HydrophobicContact CH2-CD1 3.79Å; W350-I356 HydrophobicContact CH2-CG1 4.16Å; W350-I356 HydrophobicContact CZ3-CD1 3.47Å; W350-I356 VanDerWaalsContact CZ3-CD1 3.47Å; W350-I356 HydrophobicContact CZ3-CG1 3.4Å; W350-I356 VanDerWaalsContact CZ3-CG1 3.4Å; W350-R371 HydrophobicContact CZ3-CB 4.44Å; W350-R371 HydrophobicContact CZ3-CG 3.83Å; W350-F392 VanDerWaalsContact O-CE1 3.22Å; W350-F392 WeakPolarHBondContact O-CE1 3.49Å
351L92.2Very high92.4Very high2 Ų219.4 Ų19.41%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-110.182175.9-67.4-168.5000108.7Y355 A357 L368 L390 F392 V406L351-Y355 PolarHBondContact N-O 3.15Å; L351-Y355 PolarHBondContact O-N 3.09Å; L351-A357 HydrophobicContact CD1-CB 3.89Å; L351-A357 HydrophobicContact CD2-CB 4.23Å; L351-A357 HydrophobicContact CG-CB 3.93Å; L351-L368 HydrophobicContact CD1-CD2 3.63Å; L351-L390 HydrophobicContact CD2-CD2 3.53Å; L351-F392 HydrophobicContact CD2-CB 3.89Å; L351-F392 HydrophobicContact CD2-CD1 3.73Å; L351-F392 HydrophobicContact CD2-CG 3.88Å; L351-V406 HydrophobicContact CB-CG1 4.38Å; L351-V406 HydrophobicContact CD1-CG1 4.37Å
352G87Confident93Very high23 Ų2320.8 Ų20.824%0.23711%0.111CC..THydrogen-bonded Turntrans57.7-153.5-170.400000112Y354 F392G352-Y354 VanDerWaalsContact C-N 3.31Å; G352-Y354 PolarHBondContact O-N 2.81Å; G352-F392 VanDerWaalsContact N-CZ 3.26Å
353P85.8Confident93.4Very high54 Ų5419.9 Ų19.935%0.35111%0.108SC..THydrogen-bonded Turntrans-78.3-11.8-172.329-34000114.3R371P353-R371 WeakPolarHBondContact O-CD 3.3Å; P353-R371 PolarHBondContact O-NH1 2.85Å
354Y89.1Confident93.7Very high78 Ų7820.9 Ų20.931%0.30611%0.112SC..THydrogen-bonded Turntrans-116.3-22.5-162-58.5-46.6000115.6G352 R371 F372 K403G352-Y354 VanDerWaalsContact C-N 3.31Å; G352-Y354 PolarHBondContact O-N 2.81Å; Y354-R371 VanDerWaalsContact O-CB 3.29Å; Y354-R371 WeakPolarHBondContact O-CB 3.49Å; Y354-R371 PolarHBondContact O-N 3.49Å; Y354-F372 AromaticContact CD1-CE2 3.42Å; Y354-F372 HydrophobicContact CD1-CE2 3.42Å; Y354-F372 VanDerWaalsContact CD1-CE2 3.42Å; Y354-F372 AromaticContact CD1-CZ 3.53Å; Y354-F372 HydrophobicContact CD1-CZ 3.53Å; Y354-F372 HydrophobicContact CE1-CE2 4.11Å; Y354-F372 AromaticContact CE1-CZ 3.92Å; Y354-F372 HydrophobicContact CE1-CZ 3.92Å; Y354-F372 HydrophobicContact CG-CE2 4.28Å; Y354-K403 WeakPolarHBondContact CD2-O 3.33Å; Y354-K403 HydrophobicContact CE2-CB 4.34Å; Y354-K403 VanDerWaalsContact CE2-O 3.29Å; Y354-K403 WeakPolarHBondContact CE2-O 3.36Å
355Y93.5Very high93.8Very high6 Ų619.9 Ų19.92%0.02411%0.109CC..EExtended strand (participates in β ladder)trans-133.6159.1-170.4-57-72.7000111.9L351 I369 V377 V406 Y421 Q423L351-Y355 PolarHBondContact N-O 3.15Å; L351-Y355 PolarHBondContact O-N 3.09Å; Y355-I369 CarbonylContact C-O 3.53Å; Y355-I369 VanDerWaalsContact CA-O 3.25Å; Y355-I369 WeakPolarHBondContact CA-O 3.46Å; Y355-V377 HydrophobicContact CD1-CG2 3.95Å; Y355-V377 HydrophobicContact CE1-CG2 4.02Å; Y355-V406 HydrophobicContact CD2-CG2 4.09Å; Y355-V406 HydrophobicContact CE2-CG2 4.48Å; Y355-Y421 HydrophobicContact CD1-CE1 4.34Å; Y355-Y421 HydrophobicContact CD2-CE1 4.27Å; Y355-Y421 AromaticContact CE1-CE1 3.77Å; Y355-Y421 HydrophobicContact CE1-CE1 3.77Å; Y355-Y421 AromaticContact CE1-CZ 3.98Å; Y355-Y421 HydrophobicContact CE2-CD1 4.23Å; Y355-Y421 AromaticContact CE2-CE1 3.69Å; Y355-Y421 HydrophobicContact CE2-CE1 3.69Å; Y355-Y421 AromaticContact CZ-CE1 3.42Å; Y355-Y421 VanDerWaalsContact CZ-CE1 3.42Å; Y355-Q423 WeakPolarHBondContact OH-CB 2.95Å; Y355-Q423 PolarHBondContact OH-OE1 3.36Å; Y355-Q423 VanDerWaalsContact OH-OE1 3.07Å
356I95.6Very high93.8Very high1 Ų119.9 Ų19.91%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-125.8136.8173-56.4168.4000107.3L274 L285 I334 K349 W350 L368 I369L274-I356 HydrophobicContact CD1-CD1 4.47Å; L274-I356 HydrophobicContact CD1-CG2 4.29Å; L274-I356 HydrophobicContact CD2-CG2 3.46Å; L274-I356 VanDerWaalsContact CD2-CG2 3.46Å; L274-I356 HydrophobicContact CG-CG2 4.5Å; L285-I356 HydrophobicContact CD1-CG2 3.63Å; I334-I356 HydrophobicContact CD1-CD1 4.37Å; K349-I356 CarbonylContact O-C 3.45Å; K349-I356 VanDerWaalsContact O-CA 3.32Å; K349-I356 WeakPolarHBondContact O-CA 3.43Å; W350-I356 HydrophobicContact CD2-CG1 4.38Å; W350-I356 HydrophobicContact CE3-CD1 4.12Å; W350-I356 HydrophobicContact CE3-CG1 3.54Å; W350-I356 HydrophobicContact CH2-CD1 3.79Å; W350-I356 HydrophobicContact CH2-CG1 4.16Å; W350-I356 HydrophobicContact CZ3-CD1 3.47Å; W350-I356 VanDerWaalsContact CZ3-CD1 3.47Å; W350-I356 HydrophobicContact CZ3-CG1 3.4Å; W350-I356 VanDerWaalsContact CZ3-CG1 3.4Å; I356-L368 CarbonylContact O-C 3.54Å; I356-L368 WeakPolarHBondContact O-CA 3.35Å; I356-I369 HydrophobicContact CB-CB 4.36Å; I356-I369 PolarHBondContact N-O 3.47Å; I356-I369 PolarHBondContact O-N 3.18Å
357A97.5Very high93.8Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-102.4133.9169.200000110.7A348 K349 L351 L366 K367 L368 L390A348-A357 WeakPolarHBondContact CA-O 3.31Å; K349-A357 HydrophobicContact CB-CB 4.39Å; K349-A357 PolarHBondContact N-O 2.84Å; K349-A357 PolarHBondContact O-N 2.87Å; L351-A357 HydrophobicContact CD1-CB 3.89Å; L351-A357 HydrophobicContact CD2-CB 4.23Å; L351-A357 HydrophobicContact CG-CB 3.93Å; A357-L366 HydrophobicContact CB-CD1 4.38Å; A357-K367 CarbonylContact C-O 3.53Å; A357-K367 WeakPolarHBondContact CA-O 3.49Å; A357-L368 HydrophobicContact CB-CD2 3.97Å; A357-L390 HydrophobicContact CB-CD1 3.77Å; A357-L390 HydrophobicContact CB-CD2 4.32Å
358F97.1Very high93.7Very high4 Ų419 Ų192%0.01811%0.106CC..EExtended strand (participates in β ladder)trans-119.6133.2168.4168.9-97.8000110C276 I284 L285 S343 V347 L366 K367 I369C276-F358 HydrophobicContact CB-CD2 4.01Å; C276-F358 HydrophobicContact CB-CE2 3.88Å; I284-F358 HydrophobicContact CB-CD1 4.28Å; I284-F358 HydrophobicContact CB-CD2 3.99Å; I284-F358 HydrophobicContact CB-CE1 4.02Å; I284-F358 HydrophobicContact CB-CE2 3.72Å; I284-F358 HydrophobicContact CB-CG 4.25Å; I284-F358 HydrophobicContact CB-CZ 3.73Å; I284-F358 HydrophobicContact CD1-CB 4.43Å; I284-F358 HydrophobicContact CD1-CD1 3.93Å; I284-F358 HydrophobicContact CD1-CE1 4.34Å; I284-F358 HydrophobicContact CD1-CG 4.05Å; I284-F358 HydrophobicContact CG2-CE1 3.99Å; I284-F358 HydrophobicContact CG2-CE2 4.32Å; I284-F358 HydrophobicContact CG2-CZ 3.82Å; I284-F358 WeakPolarHBondContact O-CD2 3.1Å; I284-F358 VanDerWaalsContact O-CE2 3.28Å; I284-F358 WeakPolarHBondContact O-CE2 3.33Å; L285-F358 HydrophobicContact CD1-CB 4Å; L285-F358 HydrophobicContact CD2-CB 4.32Å; L285-F358 HydrophobicContact CD2-CD2 3.99Å; L285-F358 HydrophobicContact CG-CB 4.18Å; L285-F358 HydrophobicContact CG-CD2 4.09Å; L285-F358 HydrophobicContact CG-CG 4.47Å; S343-F358 WeakPolarHBondContact OG-CE1 3.3Å; S343-F358 WeakPolarHBondContact OG-CZ 3.45Å; V347-F358 WeakPolarHBondContact O-CA 3.36Å; F358-L366 CarbonylContact O-C 3.53Å; F358-L366 WeakPolarHBondContact O-CA 3.43Å; F358-L366 WeakPolarHBondContact O-CD1 3.49Å; F358-K367 HydrophobicContact CB-CB 4.43Å; F358-K367 HydrophobicContact CD1-CB 4.46Å; F358-K367 HydrophobicContact CD1-CD 4.46Å; F358-K367 HydrophobicContact CD1-CG 4.5Å; F358-K367 PolarHBondContact N-O 2.94Å; F358-K367 PolarHBondContact O-N 2.73Å; F358-I369 HydrophobicContact CB-CD1 4.27Å
359G96.4Very high93.6Very high0 Ų019 Ų190%011%0.106CC..EExtended strand (participates in β ladder)trans-143.3144.2176.900000111.5Y346 V347Y346-G359 PolarHBondContact N-O 2.94Å; V347-G359 PolarHBondContact N-O 3.08Å; V347-G359 PolarHBondContact O-N 3.39Å
360G94.5Very high93.4Very high0 Ų018.4 Ų18.40%011%0.105CC..EExtended strand (participates in β ladder)trans-160.2-180-175.500000114.6K344 G386 I387K344-G360 CarbonylContact O-C 3.52Å; K344-G360 WeakPolarHBondContact O-CA 3.2Å; G360-G386 VanDerWaalsContact O-CA 3.27Å; G360-G386 WeakPolarHBondContact O-CA 3.36Å; G360-I387 WeakPolarHBondContact O-CD1 3.19Å; G360-I387 PolarHBondContact O-N 2.87Å
361S93.9Very high93.2Very high13 Ų1320.3 Ų20.39%0.09111%0.112CC..EExtended strand (participates in β ladder)trans-103.3-175170.976.30000112.2S343 K344 A363 N364S343-S361 WeakPolarHBondContact CA-O 3.38Å; S343-S361 PolarHBondContact OG-O 2.82Å; K344-S361 PolarHBondContact N-O 2.86Å; K344-S361 VanDerWaalsContact N-O 3.08Å; K344-S361 PolarHBondContact O-N 3.06Å; S361-A363 PolarHBondContact O-N 3.12Å; S361-N364 WeakPolarHBondContact CA-OD1 3.41Å
362D90.6Very high93.1Very high75 Ų7527.4 Ų27.440%0.40114%0.143SC..EExtended strand (participates in β ladder)trans72.1-62.3-171.1-67.716.4000110.8R280 P342 K344 N364R280-D362 IonicContact NH2-OD2 3.54Å; P342-D362 WeakPolarHBondContact O-CB 3.49Å; K344-D362 WeakPolarHBondContact CE-OD1 3.34Å; K344-D362 WeakPolarHBondContact CE-OD2 3.29Å; K344-D362 IonicContact NZ-OD1 3.71Å; K344-D362 PolarHBondContact NZ-OD1 3.4Å; K344-D362 IonicContact NZ-OD2 3.92Å; D362-N364 PolarHBondContact N-OD1 3.31Å
363A90.4Very high93.2Very high28 Ų2830.1 Ų30.123%0.23116%0.155CC..SBendtrans-79.5-27.9171.400000113P342 S361 I365P342-A363 WeakPolarHBondContact O-CB 3.38Å; P342-A363 PolarHBondContact O-N 2.87Å; S361-A363 PolarHBondContact O-N 3.12Å; A363-I365 HydrophobicContact CB-CD1 3.92Å; A363-I365 HydrophobicContact CB-CG1 3.98Å; A363-I365 WeakPolarHBondContact O-CG1 3.44Å
364N93.4Very high93.5Very high33 Ų3330.6 Ų30.618%0.17615%0.154CC..  trans53.452.5-175.5-58.3-14000112.2S361 D362 L383 S385 G386S361-N364 WeakPolarHBondContact CA-OD1 3.41Å; D362-N364 PolarHBondContact N-OD1 3.31Å; N364-L383 HydrophobicContact CB-CB 4.12Å; N364-L383 VanDerWaalsContact CB-O 3.27Å; N364-L383 WeakPolarHBondContact CB-O 3.46Å; N364-L383 PolarHBondContact ND2-O 2.86Å; N364-L383 VanDerWaalsContact ND2-O 3.16Å; N364-L383 WeakPolarHBondContact O-CB 3.48Å; N364-S385 WeakPolarHBondContact CB-O 3.16Å; N364-G386 WeakPolarHBondContact OD1-CA 3.48Å; N364-G386 PolarHBondContact OD1-N 3.18Å
365I93.7Very high93.6Very high22 Ų2231.9 Ų31.911%0.11317%0.166CC..  trans-123.4135.6-176.3-58.1176.1000109.7A363 K367 V380 T381 I387A363-I365 HydrophobicContact CB-CD1 3.92Å; A363-I365 HydrophobicContact CB-CG1 3.98Å; A363-I365 WeakPolarHBondContact O-CG1 3.44Å; I365-K367 HydrophobicContact CG2-CG 3.88Å; I365-V380 WeakPolarHBondContact CA-O 3.48Å; I365-T381 HydrophobicContact CD1-CG2 4.29Å; I365-T381 HydrophobicContact CG1-CG2 4.19Å; I365-T381 HydrophobicContact CG2-CG2 3.99Å; I365-I387 VanDerWaalsContact C-CD1 3.41Å; I365-I387 WeakPolarHBondContact O-CD1 3.44Å
366L96.2Very high93.6Very high0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-95128.3162.3178.868.6000108.5A357 F358 L368 S379 V380 I387 L390 F408 F410A357-L366 HydrophobicContact CB-CD1 4.38Å; F358-L366 CarbonylContact O-C 3.53Å; F358-L366 WeakPolarHBondContact O-CA 3.43Å; F358-L366 WeakPolarHBondContact O-CD1 3.49Å; L366-L368 HydrophobicContact CG-CD2 4.5Å; L366-S379 CarbonylContact O-C 3.55Å; L366-S379 WeakPolarHBondContact O-CA 3.25Å; L366-S379 WeakPolarHBondContact O-CB 3.17Å; L366-V380 HydrophobicContact CB-CB 4.09Å; L366-V380 HydrophobicContact CB-CG2 4.41Å; L366-V380 HydrophobicContact CD2-CG2 4.07Å; L366-V380 PolarHBondContact N-O 3.47Å; L366-V380 PolarHBondContact O-N 2.83Å; L366-I387 HydrophobicContact CB-CG1 4.33Å; L366-L390 HydrophobicContact CD1-CD1 3.63Å; L366-L390 HydrophobicContact CD2-CD1 4.25Å; L366-F408 HydrophobicContact CD2-CD2 4.47Å; L366-F408 HydrophobicContact CD2-CE2 3.59Å; L366-F408 HydrophobicContact CD2-CZ 4.25Å; L366-F410 HydrophobicContact CD2-CD1 3.76Å; L366-F410 HydrophobicContact CD2-CE1 3.82Å; L366-F410 HydrophobicContact CD2-CG 4.12Å; L366-F410 HydrophobicContact CD2-CZ 4.25Å
367K95.9Very high93.5Very high19 Ų1937 Ų378%0.08320%0.198CC..EExtended strand (participates in β ladder)trans-116130.6173-64.3-174.8174.1-1710109.6I284 D340 A357 F358 I365 I369 V376I284-K367 HydrophobicContact CD1-CD 4.13Å; D340-K367 WeakPolarHBondContact OD2-CE 3.32Å; D340-K367 IonicContact OD2-NZ 3.16Å; D340-K367 PolarHBondContact OD2-NZ 2.87Å; A357-K367 CarbonylContact C-O 3.53Å; A357-K367 WeakPolarHBondContact CA-O 3.49Å; F358-K367 HydrophobicContact CB-CB 4.43Å; F358-K367 HydrophobicContact CD1-CB 4.46Å; F358-K367 HydrophobicContact CD1-CD 4.46Å; F358-K367 HydrophobicContact CD1-CG 4.5Å; F358-K367 PolarHBondContact N-O 2.94Å; F358-K367 PolarHBondContact O-N 2.73Å; I365-K367 HydrophobicContact CG2-CG 3.88Å; K367-I369 HydrophobicContact CB-CD1 4.35Å; K367-I369 HydrophobicContact CB-CG1 4.4Å; K367-V376 HydrophobicContact CB-CG1 4.39Å; K367-V376 HydrophobicContact CB-CG2 4.47Å; K367-V376 HydrophobicContact CD-CG2 3.98Å
368L96.5Very high93.4Very high1 Ų137.2 Ų37.21%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-100.3129.2166.3-56.8-171000108.1I28 L351 I356 A357 L366 V376 V377 G378 F408 Y421I28-L368 HydrophobicContact CD1-CD1 3.86Å; I28-L368 HydrophobicContact CD1-CG 4.28Å; I28-L368 HydrophobicContact CG1-CD1 4.27Å; L351-L368 HydrophobicContact CD1-CD2 3.63Å; I356-L368 CarbonylContact O-C 3.54Å; I356-L368 WeakPolarHBondContact O-CA 3.35Å; A357-L368 HydrophobicContact CB-CD2 3.97Å; L366-L368 HydrophobicContact CG-CD2 4.5Å; L368-V376 CarbonylContact O-C 3.56Å; L368-V376 WeakPolarHBondContact O-CA 3.43Å; L368-V377 HydrophobicContact CB-CG2 4.08Å; L368-V377 WeakPolarHBondContact O-CG2 3.24Å; L368-V377 PolarHBondContact O-N 2.95Å; L368-G378 PolarHBondContact N-O 2.8Å; L368-G378 PolarHBondContact O-N 3.05Å; L368-F408 HydrophobicContact CD1-CE1 4.04Å; L368-F408 HydrophobicContact CD1-CZ 4.13Å; L368-Y421 HydrophobicContact CD1-CD2 3.64Å; L368-Y421 HydrophobicContact CD1-CE2 4.45Å; L368-Y421 HydrophobicContact CD1-CG 3.73Å
369I95.3Very high93.3Very high0 Ų038.4 Ų38.40%021%0.209CC..EExtended strand (participates in β ladder)trans-125.7134.6-170.4-64155.3000108.3I284 L285 I334 Y355 I356 F358 K367 R371 N375 V376I284-I369 HydrophobicContact CD1-CD1 4.15Å; L285-I369 HydrophobicContact CD1-CD1 3.63Å; I334-I369 HydrophobicContact CD1-CD1 4.21Å; I334-I369 HydrophobicContact CD1-CG2 3.94Å; I334-I369 HydrophobicContact CG2-CD1 4.31Å; Y355-I369 CarbonylContact C-O 3.53Å; Y355-I369 VanDerWaalsContact CA-O 3.25Å; Y355-I369 WeakPolarHBondContact CA-O 3.46Å; I356-I369 HydrophobicContact CB-CB 4.36Å; I356-I369 PolarHBondContact N-O 3.47Å; I356-I369 PolarHBondContact O-N 3.18Å; F358-I369 HydrophobicContact CB-CD1 4.27Å; K367-I369 HydrophobicContact CB-CD1 4.35Å; K367-I369 HydrophobicContact CB-CG1 4.4Å; I369-R371 PolarHBondContact O-N 3.43Å; I369-N375 WeakPolarHBondContact CA-O 3.45Å; I369-V376 HydrophobicContact CG1-CG2 4.08Å
370S92.7Very high93.3Very high13 Ų1338.4 Ų38.49%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-70.7130.2173.4178.90000110.2F372 T373 L374 N375S370-F372 PolarHBondContact O-N 2.79Å; S370-F372 PolarHBondContact OG-N 3.04Å; S370-T373 VanDerWaalsContact CB-OG1 3.27Å; S370-T373 WeakPolarHBondContact CB-OG1 3.36Å; S370-L374 WeakPolarHBondContact O-CA 3.4Å; S370-L374 PolarHBondContact O-N 3.28Å; S370-N375 PolarHBondContact N-O 2.79Å
371R89.8Confident93.2Very high55 Ų5540 Ų4021%0.20822%0.219CC..THydrogen-bonded Turntrans-62.2-29.5173.6-179178.1-171.1-179.57.8113E267 S270 W350 P353 Y354 I369E267-R371 IonicContact OE2-CZ 3.56Å; E267-R371 IonicContact OE2-NH1 2.76Å; E267-R371 IonicContact OE2-NH2 3.89Å; E267-R371 PolarHBondContact OE2-NH2 2.94Å; S270-R371 PolarHBondContact OG-NH2 3.19Å; W350-R371 HydrophobicContact CZ3-CB 4.44Å; W350-R371 HydrophobicContact CZ3-CG 3.83Å; P353-R371 WeakPolarHBondContact O-CD 3.3Å; P353-R371 PolarHBondContact O-NH1 2.85Å; Y354-R371 VanDerWaalsContact O-CB 3.29Å; Y354-R371 WeakPolarHBondContact O-CB 3.49Å; Y354-R371 PolarHBondContact O-N 3.49Å; I369-R371 PolarHBondContact O-N 3.43Å
372F89.3Confident93.1Very high150 Ų15044.8 Ų44.866%0.65824%0.239SC*.THydrogen-bonded Turntrans-84.8-39.8-174.4-57.5-68.3000113.1Y354 S370Y354-F372 AromaticContact CD1-CE2 3.42Å; Y354-F372 HydrophobicContact CD1-CE2 3.42Å; Y354-F372 VanDerWaalsContact CD1-CE2 3.42Å; Y354-F372 AromaticContact CD1-CZ 3.53Å; Y354-F372 HydrophobicContact CD1-CZ 3.53Å; Y354-F372 HydrophobicContact CE1-CE2 4.11Å; Y354-F372 AromaticContact CE1-CZ 3.92Å; Y354-F372 HydrophobicContact CE1-CZ 3.92Å; Y354-F372 HydrophobicContact CG-CE2 4.28Å; S370-F372 PolarHBondContact O-N 2.79Å; S370-F372 PolarHBondContact OG-N 3.04Å
373T90.8Very high93.3Very high80 Ų8041.6 Ų41.649%0.49122%0.222SC..THydrogen-bonded Turntrans-102.9-13.6-176.863.60000113.1S370 N375S370-T373 VanDerWaalsContact CB-OG1 3.27Å; S370-T373 WeakPolarHBondContact CB-OG1 3.36Å; T373-N375 PolarHBondContact O-N 2.9Å; T373-N375 VanDerWaalsContact O-N 3.09Å; T373-N375 PolarHBondContact OG1-N 2.62Å
374L90.4Very high93.4Very high65 Ų6544 Ų4434%0.3423%0.234SC..  trans56.616.6-172-55.1179.8000114A332 I334 S370A332-L374 HydrophobicContact CB-CD1 4.35Å; I334-L374 HydrophobicContact CD1-CD2 4.25Å; I334-L374 HydrophobicContact CG1-CB 4.35Å; I334-L374 HydrophobicContact CG1-CD2 4.41Å; S370-L374 WeakPolarHBondContact O-CA 3.4Å; S370-L374 PolarHBondContact O-N 3.28Å
375N91.9Very high93.4Very high104 Ų10444.1 Ų44.156%0.55624%0.238SC*.  trans-89.9146.5175.5-67.2-28.7000110.9I369 S370 T373 V377I369-N375 WeakPolarHBondContact CA-O 3.45Å; S370-N375 PolarHBondContact N-O 2.79Å; T373-N375 PolarHBondContact O-N 2.9Å; T373-N375 VanDerWaalsContact O-N 3.09Å; T373-N375 PolarHBondContact OG1-N 2.62Å; N375-V377 PolarHBondContact O-N 2.79Å
376V93.1Very high93.5Very high72 Ų7243.1 Ų43.144%0.43623%0.233SC..EExtended strand (participates in β ladder)trans-64121.8168.4-178.90000108.5K367 L368 I369 G378K367-V376 HydrophobicContact CB-CG1 4.39Å; K367-V376 HydrophobicContact CB-CG2 4.47Å; K367-V376 HydrophobicContact CD-CG2 3.98Å; L368-V376 CarbonylContact O-C 3.56Å; L368-V376 WeakPolarHBondContact O-CA 3.43Å; I369-V376 HydrophobicContact CG1-CG2 4.08Å; V376-G378 WeakPolarHBondContact CG1-O 3.24Å
377V94.2Very high93.6Very high44 Ų4443.1 Ų43.127%0.26723%0.233SC..EExtended strand (participates in β ladder)trans-104.1-17.2178.3-66.20000112.6N27 Y355 L368 N375 Y421N27-V377 PolarHBondContact ND2-O 3Å; Y355-V377 HydrophobicContact CD1-CG2 3.95Å; Y355-V377 HydrophobicContact CE1-CG2 4.02Å; L368-V377 HydrophobicContact CB-CG2 4.08Å; L368-V377 WeakPolarHBondContact O-CG2 3.24Å; L368-V377 PolarHBondContact O-N 2.95Å; N375-V377 PolarHBondContact O-N 2.79Å; V377-Y421 HydrophobicContact CB-CE2 4.39Å; V377-Y421 HydrophobicContact CG2-CE2 3.94Å; V377-Y421 WeakPolarHBondContact CG2-OH 3.32Å
378G94.7Very high93.7Very high3 Ų345.4 Ų45.43%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-164.4156.217700000110.9L368 V376L368-G378 PolarHBondContact N-O 2.8Å; L368-G378 PolarHBondContact O-N 3.05Å; V376-G378 WeakPolarHBondContact CG1-O 3.24Å
379S95.5Very high93.7Very high29 Ų2945.3 Ų45.320%0.20324%0.241CC..EExtended strand (participates in β ladder)trans-147.2152.817863.50000112.8S25 L366S25-S379 WeakPolarHBondContact CB-O 3.31Å; S25-S379 PolarHBondContact N-O 3.03Å; S25-S379 PolarHBondContact OG-N 2.8Å; S25-S379 PolarHBondContact OG-O 2.83Å; S25-S379 PolarHBondContact OG-OG 2.85Å; L366-S379 CarbonylContact O-C 3.55Å; L366-S379 WeakPolarHBondContact O-CA 3.25Å; L366-S379 WeakPolarHBondContact O-CB 3.17Å
380V96Very high93.9Very high0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-117.3122.7164.8-170.80000107.5A22 K23 F24 I28 I365 L366 L383 F410A22-V380 HydrophobicContact CB-CG1 4.38Å; K23-V380 WeakPolarHBondContact O-CA 3.28Å; F24-V380 HydrophobicContact CD1-CB 4.39Å; F24-V380 HydrophobicContact CD1-CG1 4.01Å; F24-V380 HydrophobicContact CD1-CG2 3.5Å; F24-V380 HydrophobicContact CD2-CG1 4.26Å; F24-V380 HydrophobicContact CE1-CB 4.39Å; F24-V380 HydrophobicContact CE1-CG1 3.81Å; F24-V380 HydrophobicContact CE1-CG2 3.61Å; F24-V380 HydrophobicContact CE2-CG1 4.05Å; F24-V380 HydrophobicContact CG-CG1 4.23Å; F24-V380 HydrophobicContact CG-CG2 4.28Å; F24-V380 HydrophobicContact CZ-CG1 3.82Å; F24-V380 HydrophobicContact CZ-CG2 4.45Å; I28-V380 HydrophobicContact CD1-CG2 4.21Å; I365-V380 WeakPolarHBondContact CA-O 3.48Å; L366-V380 HydrophobicContact CB-CB 4.09Å; L366-V380 HydrophobicContact CB-CG2 4.41Å; L366-V380 HydrophobicContact CD2-CG2 4.07Å; L366-V380 PolarHBondContact N-O 3.47Å; L366-V380 PolarHBondContact O-N 2.83Å; V380-L383 HydrophobicContact CG1-CD1 4.24Å; V380-L383 HydrophobicContact CG1-CD2 4.22Å; V380-L383 HydrophobicContact CG1-CG 4.24Å; V380-F410 HydrophobicContact CB-CZ 4.38Å; V380-F410 HydrophobicContact CG1-CZ 4.15Å; V380-F410 HydrophobicContact CG2-CE1 4.45Å; V380-F410 HydrophobicContact CG2-CZ 4.28Å
381T93.7Very high94.1Very high35 Ų3545 Ų4522%0.21524%0.24CC..EExtended strand (participates in β ladder)trans-124.3175.3-172.355.50000110.5A22 K23 I365 L383A22-T381 WeakPolarHBondContact CA-O 3.24Å; K23-T381 PolarHBondContact N-O 2.88Å; K23-T381 PolarHBondContact O-N 2.8Å; K23-T381 PolarHBondContact O-OG1 2.94Å; I365-T381 HydrophobicContact CD1-CG2 4.29Å; I365-T381 HydrophobicContact CG1-CG2 4.19Å; I365-T381 HydrophobicContact CG2-CG2 3.99Å; T381-L383 PolarHBondContact O-N 3.18Å; T381-L383 VanDerWaalsContact O-N 3.15Å
382E91.6Very high94.4Very high112 Ų11243.7 Ų43.752%0.52324%0.235SC..  trans58.826.5178.5-59.9-179.5-138.600113.2I21I21-E382 VanDerWaalsContact O-CB 3.32Å; I21-E382 WeakPolarHBondContact O-CB 3.49Å
383L93.7Very high94.6Very high8 Ų837.9 Ų37.94%0.04221%0.211CC..  trans-71.2138.9172.1-66.4161.1000109.7A22 N364 V380 T381 S385 I387 F410 Y417A22-L383 HydrophobicContact CB-CD2 3.71Å; A22-L383 HydrophobicContact CB-CG 4.49Å; N364-L383 HydrophobicContact CB-CB 4.12Å; N364-L383 VanDerWaalsContact CB-O 3.27Å; N364-L383 WeakPolarHBondContact CB-O 3.46Å; N364-L383 PolarHBondContact ND2-O 2.86Å; N364-L383 VanDerWaalsContact ND2-O 3.16Å; N364-L383 WeakPolarHBondContact O-CB 3.48Å; V380-L383 HydrophobicContact CG1-CD1 4.24Å; V380-L383 HydrophobicContact CG1-CD2 4.22Å; V380-L383 HydrophobicContact CG1-CG 4.24Å; T381-L383 PolarHBondContact O-N 3.18Å; T381-L383 VanDerWaalsContact O-N 3.15Å; L383-S385 PolarHBondContact O-N 3.25Å; L383-I387 HydrophobicContact CD1-CD1 3.6Å; L383-I387 HydrophobicContact CD1-CG1 3.89Å; L383-F410 HydrophobicContact CD1-CE2 4.07Å; L383-F410 HydrophobicContact CD2-CE2 4.15Å; L383-Y417 HydrophobicContact CD2-CD2 4.37Å; L383-Y417 HydrophobicContact CD2-CE2 3.75Å
384T92.3Very high94.3Very high78 Ų7840.2 Ų40.248%0.47922%0.216SC..SBendtrans-74.9-9.3179.848.70000113.4D20D20-T384 HydrophobicContact CB-CG2 3.99Å; D20-T384 VanDerWaalsContact CG-CG2 3.41Å; D20-T384 VanDerWaalsContact OD2-CG2 3.25Å; D20-T384 WeakPolarHBondContact OD2-CG2 3.47Å; D20-T384 PolarHBondContact OD2-OG1 3.14Å; D20-T384 VanDerWaalsContact OD2-OG1 3.05Å
385S94.9Very high93.5Very high36 Ų3639.7 Ų39.725%0.25222%0.216SC..SBendtrans-147163.2180-74.20000111.4N364 L383 S412N364-S385 WeakPolarHBondContact CB-O 3.16Å; L383-S385 PolarHBondContact O-N 3.25Å; S385-S412 PolarHBondContact O-OG 3.18Å; S385-S412 VanDerWaalsContact O-OG 3.13Å
386G95.1Very high92.3Very high1 Ų143.2 Ų43.21%0.0123%0.227CC..  trans-67.5158.4174.300000112.2G360 N364 Y388 S412G360-G386 VanDerWaalsContact O-CA 3.27Å; G360-G386 WeakPolarHBondContact O-CA 3.36Å; N364-G386 WeakPolarHBondContact OD1-CA 3.48Å; N364-G386 PolarHBondContact OD1-N 3.18Å; G386-Y388 WeakPolarHBondContact O-CD2 3.44Å; G386-Y388 VanDerWaalsContact O-CE2 3.27Å; G386-Y388 WeakPolarHBondContact O-CE2 3.34Å; G386-S412 WeakPolarHBondContact O-CA 3.3Å
387I97.5Very high90.6Very high0 Ų045.5 Ų45.50%024%0.241CC..EExtended strand (participates in β ladder)trans-91121.9177.7-5777000108.2Y346 V347 G360 I365 L366 L383 F410 A411Y346-I387 WeakPolarHBondContact CB-O 3.39Å; V347-I387 HydrophobicContact CG2-CG2 3.99Å; G360-I387 WeakPolarHBondContact O-CD1 3.19Å; G360-I387 PolarHBondContact O-N 2.87Å; I365-I387 VanDerWaalsContact C-CD1 3.41Å; I365-I387 WeakPolarHBondContact O-CD1 3.44Å; L366-I387 HydrophobicContact CB-CG1 4.33Å; L383-I387 HydrophobicContact CD1-CD1 3.6Å; L383-I387 HydrophobicContact CD1-CG1 3.89Å; I387-F410 HydrophobicContact CG1-CD2 4.3Å; I387-F410 HydrophobicContact CG2-CB 4.19Å; I387-F410 HydrophobicContact CG2-CD2 4.21Å; I387-A411 CarbonylContact C-O 3.56Å; I387-A411 WeakPolarHBondContact CA-O 3.48Å
388Y97.8Very high88.6Confident67 Ų6750.7 Ų50.726%0.26327%0.268SS..EExtended strand (participates in β ladder)trans-108.4-22.4-172.3-56.3-59.9000114.3Y346 G386 A411Y346-Y388 HydrophobicContact CD1-CD1 4.41Å; Y346-Y388 HydrophobicContact CD2-CD1 4.04Å; Y346-Y388 HydrophobicContact CD2-CE1 4.21Å; Y346-Y388 HydrophobicContact CE2-CD1 4.23Å; Y346-Y388 AromaticContact CE2-CE1 3.99Å; Y346-Y388 HydrophobicContact CE2-CE1 3.99Å; Y346-Y388 HydrophobicContact CG-CD1 4.14Å; G386-Y388 WeakPolarHBondContact O-CD2 3.44Å; G386-Y388 VanDerWaalsContact O-CE2 3.27Å; G386-Y388 WeakPolarHBondContact O-CE2 3.34Å; Y388-A411 PolarHBondContact N-O 2.82Å
389S98.6Very high86.6Confident0 Ų054.3 Ų54.30%029%0.286CS..EExtended strand (participates in β ladder)trans-158.7152.3179.1-178.60000111.5V44 R45 D262 F410 A411V44-S389 PolarHBondContact N-OG 2.57Å; V44-S389 PolarHBondContact O-OG 3.49Å; R45-S389 PolarHBondContact NH1-OG 2.92Å; D262-S389 WeakPolarHBondContact OD2-CA 3.45Å; D262-S389 VanDerWaalsContact OD2-CB 3.3Å; D262-S389 WeakPolarHBondContact OD2-CB 3.27Å; D262-S389 PolarHBondContact OD2-OG 3.03Å; S389-F410 CarbonylContact O-C 3.54Å; S389-F410 VanDerWaalsContact O-CA 3.25Å; S389-F410 WeakPolarHBondContact O-CA 3.48Å; S389-A411 PolarHBondContact O-N 3.01Å
390L98.6Very high84.6Confident0 Ų058 Ų580%031%0.312CS..EExtended strand (participates in β ladder)trans-146136.6177-173.1154.4000111.2D262 V347 L351 A357 L366 F408 A409 F410D262-L390 PolarHBondContact OD2-N 2.92Å; V347-L390 HydrophobicContact CG1-CB 3.77Å; L351-L390 HydrophobicContact CD2-CD2 3.53Å; A357-L390 HydrophobicContact CB-CD1 3.77Å; A357-L390 HydrophobicContact CB-CD2 4.32Å; L366-L390 HydrophobicContact CD1-CD1 3.63Å; L366-L390 HydrophobicContact CD2-CD1 4.25Å; L390-F408 HydrophobicContact CD1-CD2 4.04Å; L390-F408 HydrophobicContact CD2-CB 4.38Å; L390-F408 HydrophobicContact CG-CD2 4.44Å; L390-A409 WeakPolarHBondContact CA-O 3.2Å; L390-F410 HydrophobicContact CB-CB 4.17Å; L390-F410 HydrophobicContact CD1-CB 4.02Å; L390-F410 HydrophobicContact CG-CB 4.08Å
391A97.8Very high82.6Confident7 Ų762.3 Ų62.36%0.05834%0.342CS..EExtended strand (participates in β ladder)trans-129.6157.8169.200000110.7V44 W53 F408 A409V44-A391 HydrophobicContact CG1-CB 4.21Å; W53-A391 HydrophobicContact CE3-CB 4.48Å; W53-A391 HydrophobicContact CZ3-CB 3.97Å; A391-F408 CarbonylContact O-C 3.47Å; A391-F408 VanDerWaalsContact O-CA 3.25Å; A391-F408 WeakPolarHBondContact O-CA 3.44Å; A391-F408 VanDerWaalsContact O-CB 3.3Å; A391-F408 WeakPolarHBondContact O-CB 3.35Å; A391-A409 PolarHBondContact N-O 2.99Å; A391-A409 PolarHBondContact O-N 2.86Å
392F96Very high80.9Confident26 Ų2663.4 Ų63.411%0.11435%0.346CS..EExtended strand (participates in β ladder)trans-136.7155.6178.776.6-79.2000111.2I46 W350 L351 G352 E394 V406 Q407 F408I46-F392 WeakPolarHBondContact CG2-O 3.28Å; W350-F392 VanDerWaalsContact O-CE1 3.22Å; W350-F392 WeakPolarHBondContact O-CE1 3.49Å; L351-F392 HydrophobicContact CD2-CB 3.89Å; L351-F392 HydrophobicContact CD2-CD1 3.73Å; L351-F392 HydrophobicContact CD2-CG 3.88Å; G352-F392 VanDerWaalsContact N-CZ 3.26Å; F392-E394 HydrophobicContact CE2-CB 4.43Å; F392-E394 HydrophobicContact CE2-CG 3.66Å; F392-E394 HydrophobicContact CZ-CG 3.87Å; F392-V406 HydrophobicContact CB-CG1 4.01Å; F392-V406 HydrophobicContact CD2-CG1 4.17Å; F392-V406 HydrophobicContact CG-CG1 4.4Å; F392-Q407 CarbonylContact C-O 3.58Å; F392-Q407 WeakPolarHBondContact CA-O 3.34Å; F392-Q407 WeakPolarHBondContact CB-O 3.48Å; F392-F408 HydrophobicContact CB-CB 3.85Å
393I92.9Very high79.4Confident29 Ų2963.1 Ų63.115%0.14934%0.343CS..PPolyproline II helixtrans-84.8121172.5-70.3170.5000107.9I46 N50 W53 T67 P395 Q407I46-I393 HydrophobicContact CD1-CD1 4.43Å; I46-I393 HydrophobicContact CD1-CG1 3.81Å; I46-I393 HydrophobicContact CG1-CG1 4.2Å; N50-I393 HydrophobicContact CB-CG2 3.99Å; W53-I393 HydrophobicContact CH2-CD1 4.14Å; W53-I393 HydrophobicContact CH2-CG1 3.76Å; W53-I393 HydrophobicContact CZ2-CD1 3.72Å; W53-I393 HydrophobicContact CZ2-CG1 3.88Å; T67-I393 HydrophobicContact CG2-CD1 3.92Å; I393-P395 WeakPolarHBondContact O-CD 3.47Å; I393-Q407 HydrophobicContact CB-CB 4.47Å; I393-Q407 HydrophobicContact CD1-CB 4.34Å; I393-Q407 HydrophobicContact CD1-CG 4.24Å; I393-Q407 PolarHBondContact N-O 3.37Å
394E83.3Confident78.4Confident128 Ų12869.7 Ų69.760%0.59837%0.368SS*.PPolyproline II helixtrans-66.1124.6172.7-73.2-173.7179.800110.6N50 F392 K396N50-E394 PolarHBondContact ND2-O 2.94Å; F392-E394 HydrophobicContact CE2-CB 4.43Å; F392-E394 HydrophobicContact CE2-CG 3.66Å; F392-E394 HydrophobicContact CZ-CG 3.87Å; E394-K396 PolarHBondContact O-N 2.78Å
395P74.5Confident78.1Confident54 Ų5469 Ų6935%0.35136%0.36SS..PPolyproline II helixtrans-61.9134.7175.4-20.931.9000111I393 T397I393-P395 WeakPolarHBondContact O-CD 3.47Å; P395-T397 PolarHBondContact O-N 3.21Å
396K66Low77.9Confident179 Ų17967.7 Ų67.778%0.77835%0.35SS*.PPolyproline II helixtrans-62.9125.4172.4-68.4-179.6-178.8173.30109.1E394 N398 D399E394-K396 PolarHBondContact O-N 2.78Å; K396-N398 PolarHBondContact O-N 2.76Å; K396-D399 PolarHBondContact O-N 3.42Å
397T58.2Low77.8Confident120 Ų12070 Ų7074%0.73636%0.361SS*.THydrogen-bonded Turntrans-52.8-22.4-172.553.30000115.5P395P395-T397 PolarHBondContact O-N 3.21Å
398N51.3Low77.8Confident153 Ų15370 Ų7082%0.81836%0.361SS*.THydrogen-bonded Turntrans-85-11.4-171.7-71-4.8000115.1K396 S400K396-N398 PolarHBondContact O-N 2.76Å; N398-S400 PolarHBondContact O-N 2.97Å
399D54.5Low77.8Confident79 Ų7966.8 Ų66.842%0.42235%0.348SS..  trans-93.796.6173.7-95.5-28.2000110.8K396 S401 N402K396-D399 PolarHBondContact O-N 3.42Å; D399-S401 PolarHBondContact O-N 2.93Å; D399-N402 HydrophobicContact CB-CB 3.65Å; D399-N402 PolarHBondContact O-N 2.99Å; D399-N402 VanDerWaalsContact O-N 3.14Å; D399-N402 PolarHBondContact OD2-ND2 2.83Å
400S52.5Low77.8Confident107 Ų10766.8 Ų66.875%0.74835%0.348SS*.THydrogen-bonded Turntrans-57.8-26.2170.557.80000113N398N398-S400 PolarHBondContact O-N 2.97Å
401S54.4Low77.7Confident90 Ų9066.8 Ų66.863%0.62935%0.348SS*.THydrogen-bonded Turntrans-76.7-30.1175.350.30000113.9D399D399-S401 PolarHBondContact O-N 2.93Å
402N57Low77.7Confident57 Ų5766.6 Ų66.631%0.30535%0.346SS..THydrogen-bonded Turntrans-90-3.5-175.5-80.1-22.6000114.7D399 R404 M405D399-N402 HydrophobicContact CB-CB 3.65Å; D399-N402 PolarHBondContact O-N 2.99Å; D399-N402 VanDerWaalsContact O-N 3.14Å; D399-N402 PolarHBondContact OD2-ND2 2.83Å; N402-R404 PolarHBondContact O-N 3.28Å; N402-M405 PolarHBondContact O-N 2.9Å; N402-M405 VanDerWaalsContact O-N 3.13Å; N402-M405 WeakPolarHBondContact OD1-CE 3.41Å
403K60.5Low77.7Confident106 Ų10665.4 Ų65.446%0.46134%0.341SS..THydrogen-bonded Turntrans-60-10.8-175.2-71.9-171177.8-1750115.3Y354Y354-K403 WeakPolarHBondContact CD2-O 3.33Å; Y354-K403 HydrophobicContact CE2-CB 4.34Å; Y354-K403 VanDerWaalsContact CE2-O 3.29Å; Y354-K403 WeakPolarHBondContact CE2-O 3.36Å
404R73.8Confident77.8Confident147 Ų14765.8 Ų65.856%0.55535%0.345SS*.THydrogen-bonded Turntrans-110.81.4-176.9-65-175.9-179.1-167.11.7114.5N402 Q423N402-R404 PolarHBondContact O-N 3.28Å; R404-Q423 HydrophobicContact CB-CB 4.05Å; R404-Q423 VanDerWaalsContact CD-OE1 3.28Å; R404-Q423 PolarHBondContact O-N 3.35Å
405M84.3Confident78.4Confident62 Ų6260.8 Ų60.831%0.30532%0.321SS..EExtended strand (participates in β ladder)trans-104.7135.5175.8-63.1-164.8-74.600110N402 Y421 E422N402-M405 PolarHBondContact O-N 2.9Å; N402-M405 VanDerWaalsContact O-N 3.13Å; N402-M405 WeakPolarHBondContact OD1-CE 3.41Å; M405-Y421 WeakPolarHBondContact CA-O 3.21Å; M405-E422 HydrophobicContact CG-CG 3.97Å; M405-E422 HydrophobicContact SD-CG 3.95Å
406V90.7Very high79.4Confident9 Ų958.2 Ų58.26%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-128.3112.9175.2-176.70000107.9L351 Y355 F392 F408 Q420 Y421L351-V406 HydrophobicContact CB-CG1 4.38Å; L351-V406 HydrophobicContact CD1-CG1 4.37Å; Y355-V406 HydrophobicContact CD2-CG2 4.09Å; Y355-V406 HydrophobicContact CE2-CG2 4.48Å; F392-V406 HydrophobicContact CB-CG1 4.01Å; F392-V406 HydrophobicContact CD2-CG1 4.17Å; F392-V406 HydrophobicContact CG-CG1 4.4Å; V406-F408 HydrophobicContact CG1-CD1 4.39Å; V406-F408 WeakPolarHBondContact O-CD1 3.21Å; V406-Q420 WeakPolarHBondContact O-CA 3.42Å; V406-Y421 PolarHBondContact N-O 3.34Å; V406-Y421 PolarHBondContact O-N 3.25Å
407Q94.1Very high80.8Confident50 Ų5049.7 Ų49.723%0.23427%0.267CS..EExtended strand (participates in β ladder)trans-88.1129.4167.7-168.9-179.81.200108.7F392 I393 A419F392-Q407 CarbonylContact C-O 3.58Å; F392-Q407 WeakPolarHBondContact CA-O 3.34Å; F392-Q407 WeakPolarHBondContact CB-O 3.48Å; I393-Q407 HydrophobicContact CB-CB 4.47Å; I393-Q407 HydrophobicContact CD1-CB 4.34Å; I393-Q407 HydrophobicContact CD1-CG 4.24Å; I393-Q407 PolarHBondContact N-O 3.37Å; Q407-A419 WeakPolarHBondContact CA-O 3.33Å
408F96.7Very high82.6Confident0 Ų044.4 Ų44.40%023%0.234CC..EExtended strand (participates in β ladder)trans-143.1157.6-176.463.5-85.7000111.6I28 L366 L368 L390 A391 F392 V406 F410 A419I28-F408 HydrophobicContact CG2-CE1 4.37Å; I28-F408 HydrophobicContact CG2-CZ 3.93Å; L366-F408 HydrophobicContact CD2-CD2 4.47Å; L366-F408 HydrophobicContact CD2-CE2 3.59Å; L366-F408 HydrophobicContact CD2-CZ 4.25Å; L368-F408 HydrophobicContact CD1-CE1 4.04Å; L368-F408 HydrophobicContact CD1-CZ 4.13Å; L390-F408 HydrophobicContact CD1-CD2 4.04Å; L390-F408 HydrophobicContact CD2-CB 4.38Å; L390-F408 HydrophobicContact CG-CD2 4.44Å; A391-F408 CarbonylContact O-C 3.47Å; A391-F408 VanDerWaalsContact O-CA 3.25Å; A391-F408 WeakPolarHBondContact O-CA 3.44Å; A391-F408 VanDerWaalsContact O-CB 3.3Å; A391-F408 WeakPolarHBondContact O-CB 3.35Å; F392-F408 HydrophobicContact CB-CB 3.85Å; V406-F408 HydrophobicContact CG1-CD1 4.39Å; V406-F408 WeakPolarHBondContact O-CD1 3.21Å; F408-F410 AromaticContact CD2-CD1 3.92Å; F408-F410 HydrophobicContact CD2-CD1 3.92Å; F408-F410 AromaticContact CE2-CD1 3.64Å; F408-F410 HydrophobicContact CE2-CD1 3.64Å; F408-F410 AromaticContact CE2-CE1 3.89Å; F408-F410 HydrophobicContact CE2-CE1 3.89Å; F408-A419 HydrophobicContact CE1-CB 4.15Å; F408-A419 HydrophobicContact CE2-CB 3.9Å; F408-A419 HydrophobicContact CZ-CB 3.69Å; F408-A419 PolarHBondContact N-O 2.87Å; F408-A419 PolarHBondContact O-N 2.92Å; F408-A419 VanDerWaalsContact O-O 3.04Å
409A97.7Very high84.7Confident0 Ų037.1 Ų37.10%020%0.195CC..EExtended strand (participates in β ladder)trans-126.1138.9173.300000109.9V44 W53 L390 A391 V416 Y417 I418V44-A409 HydrophobicContact CG1-CB 3.95Å; W53-A409 HydrophobicContact CD2-CB 3.87Å; W53-A409 HydrophobicContact CE3-CB 3.72Å; W53-A409 HydrophobicContact CH2-CB 3.87Å; W53-A409 HydrophobicContact CZ2-CB 4.01Å; W53-A409 HydrophobicContact CZ3-CB 3.72Å; L390-A409 WeakPolarHBondContact CA-O 3.2Å; A391-A409 PolarHBondContact N-O 2.99Å; A391-A409 PolarHBondContact O-N 2.86Å; A409-V416 HydrophobicContact CB-CG1 4.19Å; A409-Y417 CarbonylContact C-O 3.59Å; A409-Y417 WeakPolarHBondContact CA-O 3.5Å; A409-I418 HydrophobicContact CB-CG1 4.23Å
410F98.3Very high86.6Confident0 Ų035.1 Ų35.10%018%0.184CC..EExtended strand (participates in β ladder)trans-136.1141.5178.366-87.5000112.4F24 L366 V380 L383 I387 S389 L390 F408 V416 Y417F24-F410 HydrophobicContact CE1-CE1 4.36Å; F24-F410 HydrophobicContact CE1-CZ 4.34Å; F24-F410 HydrophobicContact CZ-CZ 4.39Å; L366-F410 HydrophobicContact CD2-CD1 3.76Å; L366-F410 HydrophobicContact CD2-CE1 3.82Å; L366-F410 HydrophobicContact CD2-CG 4.12Å; L366-F410 HydrophobicContact CD2-CZ 4.25Å; V380-F410 HydrophobicContact CB-CZ 4.38Å; V380-F410 HydrophobicContact CG1-CZ 4.15Å; V380-F410 HydrophobicContact CG2-CE1 4.45Å; V380-F410 HydrophobicContact CG2-CZ 4.28Å; L383-F410 HydrophobicContact CD1-CE2 4.07Å; L383-F410 HydrophobicContact CD2-CE2 4.15Å; I387-F410 HydrophobicContact CG1-CD2 4.3Å; I387-F410 HydrophobicContact CG2-CB 4.19Å; I387-F410 HydrophobicContact CG2-CD2 4.21Å; S389-F410 CarbonylContact O-C 3.54Å; S389-F410 VanDerWaalsContact O-CA 3.25Å; S389-F410 WeakPolarHBondContact O-CA 3.48Å; L390-F410 HydrophobicContact CB-CB 4.17Å; L390-F410 HydrophobicContact CD1-CB 4.02Å; L390-F410 HydrophobicContact CG-CB 4.08Å; F408-F410 AromaticContact CD2-CD1 3.92Å; F408-F410 HydrophobicContact CD2-CD1 3.92Å; F408-F410 AromaticContact CE2-CD1 3.64Å; F408-F410 HydrophobicContact CE2-CD1 3.64Å; F408-F410 AromaticContact CE2-CE1 3.89Å; F408-F410 HydrophobicContact CE2-CE1 3.89Å; F410-V416 WeakPolarHBondContact O-CA 3.28Å; F410-Y417 HydrophobicContact CD2-CD2 4.15Å; F410-Y417 VanDerWaalsContact CE1-CB 3.4Å; F410-Y417 HydrophobicContact CE1-CG 4.18Å; F410-Y417 AromaticContact CE2-CD2 3.49Å; F410-Y417 HydrophobicContact CE2-CD2 3.49Å; F410-Y417 VanDerWaalsContact CE2-CD2 3.49Å; F410-Y417 HydrophobicContact CE2-CE2 4.28Å; F410-Y417 AromaticContact CE2-CG 3.83Å; F410-Y417 HydrophobicContact CE2-CG 3.83Å; F410-Y417 HydrophobicContact CZ-CD1 4.37Å; F410-Y417 AromaticContact CZ-CD2 3.77Å; F410-Y417 HydrophobicContact CZ-CD2 3.77Å; F410-Y417 AromaticContact CZ-CG 3.58Å; F410-Y417 HydrophobicContact CZ-CG 3.58Å; F410-Y417 PolarHBondContact N-O 2.62Å; F410-Y417 PolarHBondContact O-N 3.04Å
411A98.2Very high88.5Confident0 Ų030.3 Ų30.30%015%0.149CC..EExtended strand (participates in β ladder)trans-91128.417700000111.1A41 V44 I387 Y388 S389 V416A41-A411 HydrophobicContact CB-CB 3.74Å; V44-A411 HydrophobicContact CG2-CB 3.75Å; I387-A411 CarbonylContact C-O 3.56Å; I387-A411 WeakPolarHBondContact CA-O 3.48Å; Y388-A411 PolarHBondContact N-O 2.82Å; S389-A411 PolarHBondContact O-N 3.01Å; A411-V416 HydrophobicContact CB-CG2 4.15Å
412S97Very high90.2Very high2 Ų229.9 Ų29.91%0.01414%0.137CC..EExtended strand (participates in β ladder)trans-138.6100.5176.2165.70000109.7S385 G386 T414 R415S385-S412 PolarHBondContact O-OG 3.18Å; S385-S412 VanDerWaalsContact O-OG 3.13Å; G386-S412 WeakPolarHBondContact O-CA 3.3Å; S412-T414 PolarHBondContact O-N 2.86Å; S412-R415 PolarHBondContact N-O 3Å; S412-R415 PolarHBondContact O-N 2.96Å
413G95.8Very high91.5Very high1 Ų131.2 Ų31.21%0.0114%0.142CC..THydrogen-bonded Turntrans62.2-124.6-175.900000112N40 A41 R415N40-G413 CarbonylContact C-O 3.51Å; N40-G413 WeakPolarHBondContact CA-O 3.43Å; A41-G413 PolarHBondContact N-O 3.19Å; G413-R415 PolarHBondContact O-N 3.07Å
414T95.5Very high92Very high38 Ų3834.9 Ų34.923%0.23316%0.157CC..THydrogen-bonded Turntrans-84.77.1179.3630000113.6F36 G37 V39 N40 S412F36-T414 WeakPolarHBondContact CB-O 3.39Å; F36-T414 WeakPolarHBondContact CD2-O 3.46Å; F36-T414 PolarHBondContact N-O 3.05Å; G37-T414 WeakPolarHBondContact O-CB 3.36Å; G37-T414 WeakPolarHBondContact O-CG2 3.44Å; G37-T414 PolarHBondContact O-OG1 3.47Å; V39-T414 WeakPolarHBondContact O-CA 3.06Å; V39-T414 WeakPolarHBondContact O-CB 3.46Å; N40-T414 VanDerWaalsContact OD1-CG2 3.31Å; N40-T414 WeakPolarHBondContact OD1-CG2 3.38Å; N40-T414 PolarHBondContact OD1-N 3.29Å; S412-T414 PolarHBondContact O-N 2.86Å
415R95.1Very high92.9Very high22 Ų2229.3 Ų29.38%0.08314%0.137CC..EExtended strand (participates in β ladder)trans-122.6148.4-175.6-68.8-178.5175.6155.66.9113.2D20 V33 L34 D35 S412 G413 Y417D20-R415 IonicContact OD1-NH1 3.86Å; D20-R415 IonicContact OD2-CZ 2.73Å; D20-R415 IonicContact OD2-NH1 3.58Å; D20-R415 PolarHBondContact OD2-NH1 3.3Å; D20-R415 IonicContact OD2-NH2 3.26Å; V33-R415 HydrophobicContact CG1-CB 4.28Å; V33-R415 HydrophobicContact CG1-CG 4.29Å; L34-R415 CarbonylContact O-C 3.59Å; L34-R415 WeakPolarHBondContact O-CA 3.42Å; D35-R415 HydrophobicContact CB-CG 4.29Å; D35-R415 IonicContact OD2-CZ 3.32Å; D35-R415 IonicContact OD2-NE 3.52Å; D35-R415 PolarHBondContact OD2-NE 3.03Å; D35-R415 IonicContact OD2-NH2 3.19Å; D35-R415 PolarHBondContact OD2-NH2 3.31Å; D35-R415 VanDerWaalsContact OD2-NH2 3.08Å; S412-R415 PolarHBondContact N-O 3Å; S412-R415 PolarHBondContact O-N 2.96Å; G413-R415 PolarHBondContact O-N 3.07Å; R415-Y417 HydrophobicContact CB-CD2 4.39Å; R415-Y417 HydrophobicContact CB-CE2 3.8Å
416V96.5Very high93.4Very high1 Ų127.5 Ų27.51%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-119.2124.2165172.60000108.3L34 F36 A41 V44 I55 A409 F410 A411L34-V416 HydrophobicContact CB-CB 4.23Å; L34-V416 HydrophobicContact CD1-CB 4.12Å; L34-V416 HydrophobicContact CD1-CG1 4.2Å; L34-V416 HydrophobicContact CG-CB 4.43Å; L34-V416 PolarHBondContact N-O 2.9Å; L34-V416 PolarHBondContact O-N 3.19Å; F36-V416 HydrophobicContact CE2-CB 4.3Å; F36-V416 HydrophobicContact CE2-CG2 3.89Å; A41-V416 HydrophobicContact CB-CG2 3.5Å; A41-V416 VanDerWaalsContact CB-CG2 3.5Å; V44-V416 HydrophobicContact CG2-CG1 4.25Å; V44-V416 HydrophobicContact CG2-CG2 3.97Å; I55-V416 HydrophobicContact CD1-CB 4.42Å; I55-V416 HydrophobicContact CD1-CG1 4.28Å; I55-V416 HydrophobicContact CD1-CG2 4.21Å; I55-V416 HydrophobicContact CG2-CG2 4.04Å; A409-V416 HydrophobicContact CB-CG1 4.19Å; F410-V416 WeakPolarHBondContact O-CA 3.28Å; A411-V416 HydrophobicContact CB-CG2 4.15Å
417Y95.7Very high93.5Very high0 Ų028.6 Ų28.60%013%0.133CC..EExtended strand (participates in β ladder)trans-99.1129.3177.3-65.2-97000108.6A22 F24 V33 L383 A409 F410 R415A22-Y417 HydrophobicContact CB-CE1 3.92Å; F24-Y417 HydrophobicContact CE2-CD1 4.39Å; F24-Y417 AromaticContact CZ-CD1 3.76Å; F24-Y417 HydrophobicContact CZ-CD1 3.76Å; F24-Y417 HydrophobicContact CZ-CE1 4.35Å; F24-Y417 HydrophobicContact CZ-CG 4.44Å; V33-Y417 HydrophobicContact CB-CD1 4.42Å; V33-Y417 HydrophobicContact CG1-CD1 4.11Å; V33-Y417 HydrophobicContact CG1-CE1 3.97Å; V33-Y417 HydrophobicContact CG2-CD1 3.54Å; V33-Y417 HydrophobicContact CG2-CE1 3.78Å; V33-Y417 HydrophobicContact CG2-CG 4.47Å; L383-Y417 HydrophobicContact CD2-CD2 4.37Å; L383-Y417 HydrophobicContact CD2-CE2 3.75Å; A409-Y417 CarbonylContact C-O 3.59Å; A409-Y417 WeakPolarHBondContact CA-O 3.5Å; F410-Y417 HydrophobicContact CD2-CD2 4.15Å; F410-Y417 VanDerWaalsContact CE1-CB 3.4Å; F410-Y417 HydrophobicContact CE1-CG 4.18Å; F410-Y417 AromaticContact CE2-CD2 3.49Å; F410-Y417 HydrophobicContact CE2-CD2 3.49Å; F410-Y417 VanDerWaalsContact CE2-CD2 3.49Å; F410-Y417 HydrophobicContact CE2-CE2 4.28Å; F410-Y417 AromaticContact CE2-CG 3.83Å; F410-Y417 HydrophobicContact CE2-CG 3.83Å; F410-Y417 HydrophobicContact CZ-CD1 4.37Å; F410-Y417 AromaticContact CZ-CD2 3.77Å; F410-Y417 HydrophobicContact CZ-CD2 3.77Å; F410-Y417 AromaticContact CZ-CG 3.58Å; F410-Y417 HydrophobicContact CZ-CG 3.58Å; F410-Y417 PolarHBondContact N-O 2.62Å; F410-Y417 PolarHBondContact O-N 3.04Å; R415-Y417 HydrophobicContact CB-CD2 4.39Å; R415-Y417 HydrophobicContact CB-CE2 3.8Å
418I95.2Very high93.5Very high8 Ų827.3 Ų27.34%0.04113%0.127CC..EExtended strand (participates in β ladder)trans-102119.9169.7-56.5175000106.5N30 Q31 N32 L65 A409N30-I418 PolarHBondContact OD1-O 2.88Å; Q31-I418 WeakPolarHBondContact CA-O 3.37Å; Q31-I418 HydrophobicContact CB-CG2 4.35Å; Q31-I418 WeakPolarHBondContact CB-O 3.11Å; Q31-I418 PolarHBondContact N-O 3.06Å; N32-I418 HydrophobicContact CB-CB 4.29Å; N32-I418 HydrophobicContact CB-CD1 4.26Å; N32-I418 PolarHBondContact N-O 2.6Å; N32-I418 PolarHBondContact O-N 3.14Å; L65-I418 HydrophobicContact CD2-CD1 4.07Å; A409-I418 HydrophobicContact CB-CG1 4.23Å
419A95Very high93.3Very high0 Ų029 Ų290%014%0.135CC..EExtended strand (participates in β ladder)trans-136161.2-174.900000111.3F24 I28 T29 Q407 F408F24-A419 HydrophobicContact CE1-CB 4.1Å; I28-A419 HydrophobicContact CG2-CB 3.93Å; T29-A419 CarbonylContact O-C 3.56Å; T29-A419 VanDerWaalsContact O-CA 3.23Å; T29-A419 WeakPolarHBondContact O-CA 3.14Å; Q407-A419 WeakPolarHBondContact CA-O 3.33Å; F408-A419 HydrophobicContact CE1-CB 4.15Å; F408-A419 HydrophobicContact CE2-CB 3.9Å; F408-A419 HydrophobicContact CZ-CB 3.69Å; F408-A419 PolarHBondContact N-O 2.87Å; F408-A419 PolarHBondContact O-N 2.92Å; F408-A419 VanDerWaalsContact O-O 3.04Å
420Q93.8Very high93Very high38 Ų3830.9 Ų30.918%0.17814%0.144CC..EExtended strand (participates in β ladder)trans-128.7124176.9178.9168.5-55.700109.5I28 T29 Q31 V406 E422I28-Q420 CarbonylContact C-O 3.51Å; I28-Q420 WeakPolarHBondContact CA-O 3.48Å; T29-Q420 PolarHBondContact N-O 2.93Å; T29-Q420 PolarHBondContact O-N 3.06Å; Q31-Q420 HydrophobicContact CG-CB 4.4Å; V406-Q420 WeakPolarHBondContact O-CA 3.42Å; Q420-E422 HydrophobicContact CG-CG 4.23Å; Q420-E422 PolarHBondContact NE2-OE1 3.47Å
421Y94.1Very high92.6Very high6 Ų633.1 Ų33.12%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-93.1133.5170.3169.6-93.5000109.8N27 I28 Y355 L368 V377 M405 V406 Q423N27-Y421 WeakPolarHBondContact ND2-CE2 3.48Å; N27-Y421 WeakPolarHBondContact O-CA 3.26Å; I28-Y421 HydrophobicContact CG1-CD2 3.96Å; Y355-Y421 HydrophobicContact CD1-CE1 4.34Å; Y355-Y421 HydrophobicContact CD2-CE1 4.27Å; Y355-Y421 AromaticContact CE1-CE1 3.77Å; Y355-Y421 HydrophobicContact CE1-CE1 3.77Å; Y355-Y421 AromaticContact CE1-CZ 3.98Å; Y355-Y421 HydrophobicContact CE2-CD1 4.23Å; Y355-Y421 AromaticContact CE2-CE1 3.69Å; Y355-Y421 HydrophobicContact CE2-CE1 3.69Å; Y355-Y421 AromaticContact CZ-CE1 3.42Å; Y355-Y421 VanDerWaalsContact CZ-CE1 3.42Å; L368-Y421 HydrophobicContact CD1-CD2 3.64Å; L368-Y421 HydrophobicContact CD1-CE2 4.45Å; L368-Y421 HydrophobicContact CD1-CG 3.73Å; V377-Y421 HydrophobicContact CB-CE2 4.39Å; V377-Y421 HydrophobicContact CG2-CE2 3.94Å; V377-Y421 WeakPolarHBondContact CG2-OH 3.32Å; M405-Y421 WeakPolarHBondContact CA-O 3.21Å; V406-Y421 PolarHBondContact N-O 3.34Å; V406-Y421 PolarHBondContact O-N 3.25Å; Y421-Q423 HydrophobicContact CE1-CB 4.21Å
422E90Very high92.2Very high81 Ų8135.7 Ų35.738%0.37917%0.166SC..EExtended strand (participates in β ladder)trans-124.8123.4173.9-58.5-174.6-179.100109.5N27 M405 Q420 K424N27-E422 WeakPolarHBondContact CB-O 3.4Å; N27-E422 PolarHBondContact O-N 2.89Å; M405-E422 HydrophobicContact CG-CG 3.97Å; M405-E422 HydrophobicContact SD-CG 3.95Å; Q420-E422 HydrophobicContact CG-CG 4.23Å; Q420-E422 PolarHBondContact NE2-OE1 3.47Å; E422-K424 PolarHBondContact O-N 3.28Å
423Q83.5Confident91.8Very high85 Ų8538.5 Ų38.540%0.39718%0.178SC..  trans-68.9115.2173-168.5179.112.500110Y355 R404 Y421Y355-Q423 WeakPolarHBondContact OH-CB 2.95Å; Y355-Q423 PolarHBondContact OH-OE1 3.36Å; Y355-Q423 VanDerWaalsContact OH-OE1 3.07Å; R404-Q423 HydrophobicContact CB-CB 4.05Å; R404-Q423 VanDerWaalsContact CD-OE1 3.28Å; R404-Q423 PolarHBondContact O-N 3.35Å; Y421-Q423 HydrophobicContact CE1-CB 4.21Å
424K71.5Confident91.4Very high182 Ų18241.9 Ų41.979%0.79119%0.194SC*.  trans-72.50171.2-66.9-169.6-177.2-1740112.1E26 N27 E422E26-K424 VanDerWaalsContact CD-NZ 3.29Å; E26-K424 VanDerWaalsContact O-CE 3.24Å; E26-K424 WeakPolarHBondContact O-CE 3.38Å; E26-K424 PolarHBondContact O-NZ 3.43Å; E26-K424 VanDerWaalsContact O-NZ 3.14Å; E26-K424 IonicContact OE2-NZ 2.86Å; E26-K424 PolarHBondContact OE2-NZ 3Å; N27-K424 HydrophobicContact CB-CD 4.43Å; N27-K424 HydrophobicContact CB-CG 4.21Å; E422-K424 PolarHBondContact O-N 3.28Å

Retrieved 424 of 424 residues in 187.8 ms (Link to these results)

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