A0A077ZPU1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZPU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 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
1M70.2Confident70.1Confident146 Ų14665.4 Ų65.472%0.71932%0.322SS*.  0125.30177.1-162.1-82.200107.3V13 W14M1-V13 WeakPolarHBondContact CA-O 3.31Å; M1-W14 HydrophobicContact CB-CD2 4.42Å; M1-W14 HydrophobicContact CB-CE3 4.2Å; M1-W14 HydrophobicContact CB-CZ3 4.48Å; M1-W14 HydrophobicContact CE-CD2 4.12Å; M1-W14 VanDerWaalsContact CE-CE2 3.49Å; M1-W14 HydrophobicContact CE-CE3 4.15Å; M1-W14 HydrophobicContact CE-CH2 3.07Å; M1-W14 HydrophobicContact CE-CZ2 2.98Å; M1-W14 HydrophobicContact CE-CZ3 3.66Å; M1-W14 HydrophobicContact CG-CD2 4.37Å
2W74Confident70.1Confident75 Ų7561.8 Ų61.828%0.28431%0.308SS..EExtended strand (participates in β ladder)trans-108.9137.2171.9179.999.6000108.1Y4 L11 V13 V19 T21W2-Y4 HydrophobicContact CH2-CD2 4.32Å; W2-Y4 HydrophobicContact CH2-CG 4Å; W2-L11 HydrophobicContact CZ3-CD2 3.92Å; W2-L11 HydrophobicContact CZ3-CG 4.32Å; W2-V13 HydrophobicContact CE3-CB 4.17Å; W2-V13 HydrophobicContact CE3-CG2 3.76Å; W2-V13 HydrophobicContact CZ3-CG2 3.99Å; W2-V13 PolarHBondContact N-O 3.01Å; W2-V13 PolarHBondContact O-N 3.24Å; W2-V19 HydrophobicContact CD2-CB 4.04Å; W2-V19 HydrophobicContact CD2-CG1 3.84Å; W2-V19 HydrophobicContact CD2-CG2 4.37Å; W2-V19 HydrophobicContact CE3-CB 4.43Å; W2-V19 HydrophobicContact CE3-CG1 3.81Å; W2-V19 HydrophobicContact CG-CB 4.34Å; W2-V19 HydrophobicContact CG-CG2 4.39Å; W2-V19 HydrophobicContact CH2-CG1 3.45Å; W2-V19 VanDerWaalsContact CH2-CG1 3.45Å; W2-V19 HydrophobicContact CZ2-CB 4.26Å; W2-V19 HydrophobicContact CZ2-CG1 3.59Å; W2-V19 HydrophobicContact CZ3-CG1 3.64Å; W2-T21 HydrophobicContact CH2-CG2 3.31Å; W2-T21 HydrophobicContact CZ2-CG2 3.65Å
3E77Confident70.2Confident80 Ų8057.1 Ų57.137%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-130.6130.3-178.5-167.3-178.5-17500109.8R5 T10 L11E3-R5 VanDerWaalsContact CD-NE 3.29Å; E3-R5 VanDerWaalsContact CD-NH2 3.34Å; E3-R5 HydrophobicContact CG-CG 4.32Å; E3-R5 IonicContact OE1-CZ 3.48Å; E3-R5 IonicContact OE1-NE 3.66Å; E3-R5 PolarHBondContact OE1-NE 2.8Å; E3-R5 IonicContact OE1-NH2 3.41Å; E3-R5 PolarHBondContact OE1-NH2 2.78Å; E3-R5 IonicContact OE2-CZ 3.13Å; E3-R5 IonicContact OE2-NE 3.68Å; E3-R5 IonicContact OE2-NH2 3.76Å; E3-R5 PolarHBondContact OE2-NH2 2.97Å; E3-R5 VanDerWaalsContact OE2-NH2 3.12Å; E3-T10 HydrophobicContact CG-CG2 4.41Å; E3-T10 WeakPolarHBondContact OE1-CG2 3.49Å; E3-L11 CarbonylContact C-O 3.54Å; E3-L11 WeakPolarHBondContact CA-O 3.37Å
4Y73Confident70.2Confident34 Ų3461.6 Ų61.613%0.13330%0.297CS..EExtended strand (participates in β ladder)trans-113.2125.6171.1173.2-102.1000110.5W2 N6 T10 L11 T21 I30W2-Y4 HydrophobicContact CH2-CD2 4.32Å; W2-Y4 HydrophobicContact CH2-CG 4Å; Y4-N6 HydrophobicContact CE1-CB 3.7Å; Y4-N6 PolarHBondContact OH-ND2 2.84Å; Y4-T10 WeakPolarHBondContact O-CA 3.34Å; Y4-L11 PolarHBondContact N-O 2.85Å; Y4-L11 PolarHBondContact O-N 2.88Å; Y4-T21 HydrophobicContact CD2-CG2 3.79Å; Y4-T21 HydrophobicContact CE2-CG2 4.07Å; Y4-T21 HydrophobicContact CG-CG2 4.07Å; Y4-I30 HydrophobicContact CD1-CD1 4.35Å
5R75.6Confident70.3Confident180 Ų18060.3 Ų60.368%0.67931%0.306SS*.EExtended strand (participates in β ladder)trans-120.5117.2175.7-67.2-174.8-179.1-177.77.9109.3E3 T10E3-R5 VanDerWaalsContact CD-NE 3.29Å; E3-R5 VanDerWaalsContact CD-NH2 3.34Å; E3-R5 HydrophobicContact CG-CG 4.32Å; E3-R5 IonicContact OE1-CZ 3.48Å; E3-R5 IonicContact OE1-NE 3.66Å; E3-R5 PolarHBondContact OE1-NE 2.8Å; E3-R5 IonicContact OE1-NH2 3.41Å; E3-R5 PolarHBondContact OE1-NH2 2.78Å; E3-R5 IonicContact OE2-CZ 3.13Å; E3-R5 IonicContact OE2-NE 3.68Å; E3-R5 IonicContact OE2-NH2 3.76Å; E3-R5 PolarHBondContact OE2-NH2 2.97Å; E3-R5 VanDerWaalsContact OE2-NH2 3.12Å; R5-T10 HydrophobicContact CG-CG2 4.14Å
6N68.8Low70.5Confident25 Ų2557.6 Ų57.613%0.13429%0.294CS..EExtended strand (participates in β ladder)trans-119.3155.4166.2-150.26.5000107.2Y4 G8 V9 R23 D28Y4-N6 HydrophobicContact CE1-CB 3.7Å; Y4-N6 PolarHBondContact OH-ND2 2.84Å; N6-G8 PolarHBondContact O-N 2.95Å; N6-V9 PolarHBondContact N-O 2.83Å; N6-V9 PolarHBondContact O-N 2.89Å; N6-R23 PolarHBondContact OD1-NH1 2.78Å; N6-D28 PolarHBondContact ND2-OD1 3.3Å; N6-D28 PolarHBondContact ND2-OD2 3.27Å
7P64.1Low70.6Confident113 Ų11362.9 Ų62.973%0.73432%0.324SS*.THydrogen-bonded Turntrans-56.6108173.9-23.235.4000109.5
8G63.2Low70.9Confident20 Ų2062.3 Ų62.321%0.20632%0.321CS..THydrogen-bonded Turntrans99.2-8.4178.900000116.9N6 R44 R45 Q46N6-G8 PolarHBondContact O-N 2.95Å; G8-R44 CarbonylContact O-C 3.6Å; G8-R44 WeakPolarHBondContact O-CA 3.27Å; G8-R45 PolarHBondContact O-N 2.89Å; G8-Q46 WeakPolarHBondContact CA-O 3.45Å; G8-Q46 PolarHBondContact O-N 2.95Å
9V65.6Low71.2Confident2 Ų260.3 Ų60.31%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-133.9124173.9-172.40000109.7N6 I42 R44N6-V9 PolarHBondContact N-O 2.83Å; N6-V9 PolarHBondContact O-N 2.89Å; V9-I42 HydrophobicContact CG1-CG2 4.3Å; V9-R44 HydrophobicContact CG1-CG 4.34Å; V9-R44 HydrophobicContact CG2-CG 4.02Å
10T68.2Low71.7Confident44 Ų4460.4 Ų60.427%0.2732%0.315SS..EExtended strand (participates in β ladder)trans-116.3121.5164.9-56.50000107.9E3 Y4 R5 I42 W43E3-T10 HydrophobicContact CG-CG2 4.41Å; E3-T10 WeakPolarHBondContact OE1-CG2 3.49Å; Y4-T10 WeakPolarHBondContact O-CA 3.34Å; R5-T10 HydrophobicContact CG-CG2 4.14Å; T10-I42 CarbonylContact O-C 3.59Å; T10-I42 WeakPolarHBondContact O-CA 3.33Å; T10-W43 PolarHBondContact N-O 2.94Å; T10-W43 PolarHBondContact O-N 2.79Å
11L71.8Confident71.9Confident0 Ų060.3 Ų60.30%032%0.318CS..EExtended strand (participates in β ladder)trans-115.4122.9172.3170.769.3000108.2W2 E3 Y4 V13 I30 A40 E41 I42W2-L11 HydrophobicContact CZ3-CD2 3.92Å; W2-L11 HydrophobicContact CZ3-CG 4.32Å; E3-L11 CarbonylContact C-O 3.54Å; E3-L11 WeakPolarHBondContact CA-O 3.37Å; Y4-L11 PolarHBondContact N-O 2.85Å; Y4-L11 PolarHBondContact O-N 2.88Å; L11-V13 HydrophobicContact CD1-CG2 3.91Å; L11-V13 HydrophobicContact CD2-CG2 3.61Å; L11-V13 HydrophobicContact CG-CG2 3.58Å; L11-I30 HydrophobicContact CB-CD1 4.27Å; L11-I30 HydrophobicContact CD2-CB 4.28Å; L11-I30 HydrophobicContact CD2-CD1 3.41Å; L11-I30 VanDerWaalsContact CD2-CD1 3.41Å; L11-I30 HydrophobicContact CD2-CG1 4.34Å; L11-I30 HydrophobicContact CD2-CG2 3.56Å; L11-I30 HydrophobicContact CG-CD1 4.43Å; L11-A40 HydrophobicContact CD1-CB 4.11Å; L11-E41 WeakPolarHBondContact CA-O 3.3Å; L11-I42 HydrophobicContact CD1-CD1 4.02Å; L11-I42 HydrophobicContact CD1-CG1 3.61Å
12S69.8Low72.4Confident22 Ų2258.2 Ų58.215%0.15431%0.306CS..EExtended strand (participates in β ladder)trans-107.1127.9168.1-62.10000109.1A40 E41S12-A40 WeakPolarHBondContact O-CA 3.39Å; S12-E41 PolarHBondContact N-O 3.38Å; S12-E41 PolarHBondContact O-N 2.77Å; S12-E41 VanDerWaalsContact O-N 3.14Å
13V70.7Confident72.5Confident1 Ų162.6 Ų62.61%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-124132.6-179.7-168.90000109M1 W2 L11 C16 V19 M32 V38M1-V13 WeakPolarHBondContact CA-O 3.31Å; W2-V13 HydrophobicContact CE3-CB 4.17Å; W2-V13 HydrophobicContact CE3-CG2 3.76Å; W2-V13 HydrophobicContact CZ3-CG2 3.99Å; W2-V13 PolarHBondContact N-O 3.01Å; W2-V13 PolarHBondContact O-N 3.24Å; L11-V13 HydrophobicContact CD1-CG2 3.91Å; L11-V13 HydrophobicContact CD2-CG2 3.61Å; L11-V13 HydrophobicContact CG-CG2 3.58Å; V13-C16 HydrophobicContact CG1-CB 3.75Å; V13-C16 WeakPolarHBondContact CG1-SG 3.4Å; V13-V19 HydrophobicContact CG1-CG2 4.45Å; V13-M32 HydrophobicContact CB-SD 4.27Å; V13-M32 HydrophobicContact CG1-SD 3.5Å; V13-M32 VanDerWaalsContact CG1-SD 3.5Å; V13-M32 HydrophobicContact CG2-SD 3.68Å; V13-V38 HydrophobicContact CG1-CG1 3.98Å
14W70.6Confident72.4Confident121 Ų12165.6 Ų65.646%0.45833%0.33SS..  trans-113.5152.9176.1-55.874.9000109.8M1 C16 P39M1-W14 HydrophobicContact CB-CD2 4.42Å; M1-W14 HydrophobicContact CB-CE3 4.2Å; M1-W14 HydrophobicContact CB-CZ3 4.48Å; M1-W14 HydrophobicContact CE-CD2 4.12Å; M1-W14 VanDerWaalsContact CE-CE2 3.49Å; M1-W14 HydrophobicContact CE-CE3 4.15Å; M1-W14 HydrophobicContact CE-CH2 3.07Å; M1-W14 HydrophobicContact CE-CZ2 2.98Å; M1-W14 HydrophobicContact CE-CZ3 3.66Å; M1-W14 HydrophobicContact CG-CD2 4.37Å; W14-C16 PolarHBondContact O-N 2.71Å; W14-C16 VanDerWaalsContact O-N 3.13Å; W14-P39 HydrophobicContact CB-CG 3.84Å; W14-P39 HydrophobicContact CG-CG 3.97Å
15G71.2Confident72.1Confident42 Ų4273.5 Ų73.543%0.43337%0.369SS..SBendtrans63.419.8173.800000115.7C35 D36G15-C35 VanDerWaalsContact O-CA 3.25Å; G15-C35 WeakPolarHBondContact O-CA 3.36Å; G15-D36 PolarHBondContact O-N 3.25Å
16C73.4Confident71.8Confident17 Ų1771 Ų7112%0.11537%0.368CS..BIsolated β-bridgetrans-115.9131.9177.4-61.20000112.1V13 W14 V19 R34 C35V13-C16 HydrophobicContact CG1-CB 3.75Å; V13-C16 WeakPolarHBondContact CG1-SG 3.4Å; W14-C16 PolarHBondContact O-N 2.71Å; W14-C16 VanDerWaalsContact O-N 3.13Å; C16-V19 HydrophobicContact CB-CG2 3.54Å; C16-R34 VanDerWaalsContact CA-O 3.24Å; C16-R34 WeakPolarHBondContact CA-O 2.97Å; C16-C35 HydrophobicContact CB-CB 4.1Å; C16-C35 WeakPolarHBondContact CB-SG 3.42Å; C16-C35 WeakPolarHBondContact SG-CB 3.21Å; C16-C35 CovalentContact SG-SG 2.02Å; C16-C35 PolarHBondContact SG-SG 2.59Å
17D73.1Confident71.9Confident148 Ų14870.3 Ų70.379%0.79137%0.367SS*.SBendtrans-101.5-22.2-179-65.6-25.3000113.2R34D17-R34 PolarHBondContact N-O 2.85Å; D17-R34 VanDerWaalsContact N-O 3.11Å
18D76.3Confident72.4Confident52 Ų5265.4 Ų65.428%0.27834%0.335SS..  trans-126.783-178-172.95.9000109.9M32 R33 R34D18-M32 WeakPolarHBondContact O-CA 3.49Å; D18-R33 HydrophobicContact CB-CB 4.11Å; D18-R33 PolarHBondContact O-N 2.01Å; D18-R33 WeakPolarHBondContact OD2-CB 3.3Å; D18-R33 VanDerWaalsContact OD2-CD 3.24Å; D18-R33 WeakPolarHBondContact OD2-CD 3.34Å; D18-R34 HydrophobicContact CB-CB 4.47Å
19V76.8Confident72.9Confident23 Ų2365.7 Ų65.714%0.13933%0.333CS..EExtended strand (participates in β ladder)trans-109.2124.4175.3-173.10000109.2W2 V13 C16 I30 M32W2-V19 HydrophobicContact CD2-CB 4.04Å; W2-V19 HydrophobicContact CD2-CG1 3.84Å; W2-V19 HydrophobicContact CD2-CG2 4.37Å; W2-V19 HydrophobicContact CE3-CB 4.43Å; W2-V19 HydrophobicContact CE3-CG1 3.81Å; W2-V19 HydrophobicContact CG-CB 4.34Å; W2-V19 HydrophobicContact CG-CG2 4.39Å; W2-V19 HydrophobicContact CH2-CG1 3.45Å; W2-V19 VanDerWaalsContact CH2-CG1 3.45Å; W2-V19 HydrophobicContact CZ2-CB 4.26Å; W2-V19 HydrophobicContact CZ2-CG1 3.59Å; W2-V19 HydrophobicContact CZ3-CG1 3.64Å; V13-V19 HydrophobicContact CG1-CG2 4.45Å; C16-V19 HydrophobicContact CB-CG2 3.54Å; V19-I30 HydrophobicContact CG1-CG2 4.24Å; V19-M32 HydrophobicContact CB-CG 4.47Å; V19-M32 HydrophobicContact CG1-CG 3.98Å; V19-M32 HydrophobicContact CG2-CG 4.09Å
20T79.7Confident73.5Confident63 Ų6365.6 Ų65.639%0.38733%0.332SS..EExtended strand (participates in β ladder)trans-121137.8176.653.60000110.2S31T20-S31 PolarHBondContact N-O 3.32Å; T20-S31 PolarHBondContact O-N 2.88Å; T20-S31 WeakPolarHBondContact OG1-CB 3.31Å; T20-S31 PolarHBondContact OG1-O 2.91Å
21T77.7Confident73.8Confident59 Ų5965.1 Ų65.136%0.36233%0.33SS..EExtended strand (participates in β ladder)trans-122.7131.4176.5530000110.6W2 Y4 V29 I30W2-T21 HydrophobicContact CH2-CG2 3.31Å; W2-T21 HydrophobicContact CZ2-CG2 3.65Å; Y4-T21 HydrophobicContact CD2-CG2 3.79Å; Y4-T21 HydrophobicContact CE2-CG2 4.07Å; Y4-T21 HydrophobicContact CG-CG2 4.07Å; T21-V29 WeakPolarHBondContact CA-O 3.31Å; T21-I30 HydrophobicContact CG2-CG1 4.25Å; T21-I30 HydrophobicContact CG2-CG2 4.2Å
22Q78.9Confident73.9Confident101 Ų10165.1 Ų65.147%0.47233%0.331SS..EExtended strand (participates in β ladder)trans-125.6113.9171.9-168.3-177.719.800109.2R24 V29Q22-R24 HydrophobicContact CG-CG 4.33Å; Q22-V29 HydrophobicContact CB-CB 4.49Å; Q22-V29 PolarHBondContact N-O 3.04Å; Q22-V29 PolarHBondContact O-N 2.87Å
23R77.3Confident73.9Confident167 Ų16771.1 Ų71.163%0.6335%0.35SS*.EExtended strand (participates in β ladder)trans-76.8124169-173.2168.4-171.3177.51.1108.8N6 D28N6-R23 PolarHBondContact OD1-NH1 2.78Å; R23-D28 WeakPolarHBondContact CG-OD1 3.44Å
24R73.9Confident73.8Confident144 Ų14479.6 Ų79.654%0.54338%0.382SS..  trans-112.7168.7173-61-168.6175.3-161.9-0.6109.5Q22 D26 G27 V29Q22-R24 HydrophobicContact CG-CG 4.33Å; R24-D26 PolarHBondContact O-N 3.3Å; R24-G27 WeakPolarHBondContact CA-O 3.46Å; R24-G27 WeakPolarHBondContact CB-O 3.09Å; R24-G27 PolarHBondContact N-O 3.39Å; R24-V29 HydrophobicContact CG-CG2 4.45Å
25Q67.9Low73.5Confident200 Ų20074.3 Ų74.394%0.93536%0.363SS*.SBendtrans-61.6-32.5175.2-79.4178.3-18.200111.9
26D68.2Low72.8Confident126 Ų12678.1 Ų78.167%0.67437%0.373SS*.SBendtrans-93.8-11.3-175-50.6-44.2000113.8R24 D49R24-D26 PolarHBondContact O-N 3.3Å; D26-D49 PolarHBondContact O-N 3.02Å; D26-D49 VanDerWaalsContact O-N 3.11Å
27G71Confident72.1Confident11 Ų1181.7 Ų81.711%0.11339%0.391CS..EExtended strand (participates in β ladder)trans163.9177.1-174.700000115R24 D49R24-G27 WeakPolarHBondContact CA-O 3.46Å; R24-G27 WeakPolarHBondContact CB-O 3.09Å; R24-G27 PolarHBondContact N-O 3.39Å; G27-D49 CarbonylContact C-O 3.46Å; G27-D49 WeakPolarHBondContact CA-O 3.41Å
28D75.6Confident71.3Confident11 Ų1174.9 Ų74.96%0.05936%0.355CS..EExtended strand (participates in β ladder)trans-97.4125.3176.3-69.3-31000109.6N6 R23 D49 V50 M51N6-D28 PolarHBondContact ND2-OD1 3.3Å; N6-D28 PolarHBondContact ND2-OD2 3.27Å; R23-D28 WeakPolarHBondContact CG-OD1 3.44Å; D28-D49 PolarHBondContact N-O 3.24Å; D28-V50 HydrophobicContact CB-CG2 3.97Å; D28-V50 WeakPolarHBondContact O-CA 3.31Å; D28-M51 PolarHBondContact O-N 3.24Å
29V74.2Confident70.3Confident25 Ų2574.7 Ų74.715%0.15236%0.357CS..EExtended strand (participates in β ladder)trans-101.8123.2172.4-177.20000108.4T21 Q22 R24 M51T21-V29 WeakPolarHBondContact CA-O 3.31Å; Q22-V29 HydrophobicContact CB-CB 4.49Å; Q22-V29 PolarHBondContact N-O 3.04Å; Q22-V29 PolarHBondContact O-N 2.87Å; R24-V29 HydrophobicContact CG-CG2 4.45Å; V29-M51 WeakPolarHBondContact CA-O 3.33Å; V29-M51 HydrophobicContact CG2-CB 4.35Å
30I77.2Confident69.3Low1 Ų173.6 Ų73.61%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-120.8117.6179.8-49.8178.1000107.5Y4 L11 V19 T21 M32 M51 I52 S53Y4-I30 HydrophobicContact CD1-CD1 4.35Å; L11-I30 HydrophobicContact CB-CD1 4.27Å; L11-I30 HydrophobicContact CD2-CB 4.28Å; L11-I30 HydrophobicContact CD2-CD1 3.41Å; L11-I30 VanDerWaalsContact CD2-CD1 3.41Å; L11-I30 HydrophobicContact CD2-CG1 4.34Å; L11-I30 HydrophobicContact CD2-CG2 3.56Å; L11-I30 HydrophobicContact CG-CD1 4.43Å; V19-I30 HydrophobicContact CG1-CG2 4.24Å; T21-I30 HydrophobicContact CG2-CG1 4.25Å; T21-I30 HydrophobicContact CG2-CG2 4.2Å; I30-M32 HydrophobicContact CG2-CG 4.46Å; I30-M51 PolarHBondContact N-O 2.84Å; I30-I52 WeakPolarHBondContact O-CA 3.41Å; I30-S53 PolarHBondContact O-N 3.41Å
31S74.2Confident68.1Low33 Ų3374 Ų7423%0.23135%0.348CS..EExtended strand (participates in β ladder)trans-118126.4-177.7-66.20000110T20 S53T20-S31 PolarHBondContact N-O 3.32Å; T20-S31 PolarHBondContact O-N 2.88Å; T20-S31 WeakPolarHBondContact OG1-CB 3.31Å; T20-S31 PolarHBondContact OG1-O 2.91Å; S31-S53 CarbonylContact C-O 3.57Å; S31-S53 WeakPolarHBondContact CA-O 3.33Å
32M75Confident67.4Low1 Ų171.4 Ų71.41%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-122.2118.5-177.2-61.7179.8-67.100108.5V13 D18 V19 I30 V38 I52 S53 M54 L55V13-M32 HydrophobicContact CB-SD 4.27Å; V13-M32 HydrophobicContact CG1-SD 3.5Å; V13-M32 VanDerWaalsContact CG1-SD 3.5Å; V13-M32 HydrophobicContact CG2-SD 3.68Å; D18-M32 WeakPolarHBondContact O-CA 3.49Å; V19-M32 HydrophobicContact CB-CG 4.47Å; V19-M32 HydrophobicContact CG1-CG 3.98Å; V19-M32 HydrophobicContact CG2-CG 4.09Å; I30-M32 HydrophobicContact CG2-CG 4.46Å; M32-V38 HydrophobicContact CE-CG1 4.34Å; M32-V38 HydrophobicContact SD-CG1 4.44Å; M32-I52 HydrophobicContact CE-CG2 3.64Å; M32-S53 PolarHBondContact N-O 3.13Å; M32-M54 HydrophobicContact CE-CE 3.36Å; M32-M54 HydrophobicContact CE-CG 3.54Å; M32-M54 HydrophobicContact CE-SD 3.53Å; M32-M54 VanDerWaalsContact CE-SD 3.53Å; M32-M54 WeakPolarHBondContact O-CA 3.35Å; M32-L55 PolarHBondContact O-N 2.78Å
33R69.5Low66.2Low147 Ų14772.2 Ų72.256%0.55533%0.33SS*.  trans-106.7-25.4-169.6-72.9178.6172.9-179.42114.9D18D18-R33 HydrophobicContact CB-CB 4.11Å; D18-R33 PolarHBondContact O-N 2.01Å; D18-R33 WeakPolarHBondContact OD2-CB 3.3Å; D18-R33 VanDerWaalsContact OD2-CD 3.24Å; D18-R33 WeakPolarHBondContact OD2-CD 3.34Å
34R67.8Low65.5Low180 Ų18064.5 Ų64.568%0.67930%0.301SS*.  trans-138.6104.2179.9-70.7-173.2-175.9-178.31.6108.7C16 D17 D18C16-R34 VanDerWaalsContact CA-O 3.24Å; C16-R34 WeakPolarHBondContact CA-O 2.97Å; D17-R34 PolarHBondContact N-O 2.85Å; D17-R34 VanDerWaalsContact N-O 3.11Å; D18-R34 HydrophobicContact CB-CB 4.47Å
35C65.3Low64.4Low9 Ų967.3 Ų67.36%0.06131%0.312CS..BIsolated β-bridgetrans-140.8137.3174.5-47.80000110.9G15 C16 V38 R57G15-C35 VanDerWaalsContact O-CA 3.25Å; G15-C35 WeakPolarHBondContact O-CA 3.36Å; C16-C35 HydrophobicContact CB-CB 4.1Å; C16-C35 WeakPolarHBondContact CB-SG 3.42Å; C16-C35 WeakPolarHBondContact SG-CB 3.21Å; C16-C35 CovalentContact SG-SG 2.02Å; C16-C35 PolarHBondContact SG-SG 2.59Å; C35-V38 HydrophobicContact CB-CG2 3.11Å; C35-R57 PolarHBondContact O-N 2.82Å; C35-R57 VanDerWaalsContact O-N 3.15Å
36D57.1Low63.8Low123 Ų12361 Ų6166%0.65828%0.282SS*.SBendtrans-91.2-35.1-179-63.9-31.4000111.9G15 G58G15-D36 PolarHBondContact O-N 3.25Å; D36-G58 WeakPolarHBondContact O-CA 3.44Å
37D57.4Low63.1Low92 Ų9262.3 Ų62.349%0.49228%0.279SS..SBendtrans-154.8129167.9-77.2-45.7000108.4P39 D59D37-P39 VanDerWaalsContact O-CD 3.26Å; D37-P39 WeakPolarHBondContact O-CD 3.33Å; D37-D59 PolarHBondContact OD1-N 2.81Å; D37-D59 VanDerWaalsContact OD1-N 3.16Å
38V56.1Low62.4Low4 Ų463.1 Ų63.12%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-11787.2-172.2-165.70000111.3V13 M32 C35 A40 M54 D59 R61V13-V38 HydrophobicContact CG1-CG1 3.98Å; M32-V38 HydrophobicContact CE-CG1 4.34Å; M32-V38 HydrophobicContact SD-CG1 4.44Å; C35-V38 HydrophobicContact CB-CG2 3.11Å; V38-A40 VanDerWaalsContact C-N 3.29Å; V38-A40 HydrophobicContact CG1-CB 3.81Å; V38-A40 PolarHBondContact O-N 3.23Å; V38-M54 HydrophobicContact CB-SD 4.35Å; V38-M54 HydrophobicContact CG1-CE 4.44Å; V38-M54 HydrophobicContact CG1-SD 4.23Å; V38-M54 HydrophobicContact CG2-SD 4.37Å; V38-D59 PolarHBondContact N-O 2.96Å; V38-R61 CarbonylContact O-C 3.6Å; V38-R61 VanDerWaalsContact O-C 3.23Å; V38-R61 WeakPolarHBondContact O-CA 3.23Å; V38-R61 PolarHBondContact O-N 3.47Å
39P54.9Low62Low48 Ų4866 Ų6631%0.31230%0.302SS..EExtended strand (participates in β ladder)trans-69.694.9151.127.1-25.6000107.5W14 D37 R61W14-P39 HydrophobicContact CB-CG 3.84Å; W14-P39 HydrophobicContact CG-CG 3.97Å; D37-P39 VanDerWaalsContact O-CD 3.26Å; D37-P39 WeakPolarHBondContact O-CD 3.33Å; P39-R61 CarbonylContact C-O 3.58Å; P39-R61 VanDerWaalsContact CA-O 3.22Å; P39-R61 WeakPolarHBondContact CA-O 3.04Å
40A56.7Low61.7Low0 Ų064.9 Ų64.90%030%0.296CS..EExtended strand (participates in β ladder)trans-92.2100.8169.700000108L11 S12 V38 M54 R61 T62 Q63L11-A40 HydrophobicContact CD1-CB 4.11Å; S12-A40 WeakPolarHBondContact O-CA 3.39Å; V38-A40 VanDerWaalsContact C-N 3.29Å; V38-A40 HydrophobicContact CG1-CB 3.81Å; V38-A40 PolarHBondContact O-N 3.23Å; A40-M54 HydrophobicContact CB-CE 4.36Å; A40-R61 PolarHBondContact N-O 2.79Å; A40-T62 HydrophobicContact CB-CG2 4.05Å; A40-Q63 PolarHBondContact O-N 2.76Å
41E55.5Low61.2Low73 Ų7368.9 Ų68.934%0.34132%0.315SS..EExtended strand (participates in β ladder)trans-92.9122.4172.7-79.8-174.9-15100110.2L11 S12 Q63L11-E41 WeakPolarHBondContact CA-O 3.3Å; S12-E41 PolarHBondContact N-O 3.38Å; S12-E41 PolarHBondContact O-N 2.77Å; S12-E41 VanDerWaalsContact O-N 3.14Å; E41-Q63 CarbonylContact C-O 3.58Å; E41-Q63 WeakPolarHBondContact CA-O 3.16Å; E41-Q63 HydrophobicContact CG-CB 4.03Å
42I62.4Low61Low4 Ų467.3 Ų67.32%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-118.6110.7-176.5-45.2-169.5000108.6V9 T10 L11 R44 I52 Q63 V64 Q65V9-I42 HydrophobicContact CG1-CG2 4.3Å; T10-I42 CarbonylContact O-C 3.59Å; T10-I42 WeakPolarHBondContact O-CA 3.33Å; L11-I42 HydrophobicContact CD1-CD1 4.02Å; L11-I42 HydrophobicContact CD1-CG1 3.61Å; I42-R44 HydrophobicContact CG2-CG 4.31Å; I42-I52 HydrophobicContact CD1-CD1 3.04Å; I42-I52 HydrophobicContact CD1-CG1 4.42Å; I42-I52 HydrophobicContact CG1-CD1 4.5Å; I42-Q63 PolarHBondContact N-O 2.74Å; I42-V64 HydrophobicContact CB-CB 4.44Å; I42-V64 HydrophobicContact CB-CG1 4.3Å; I42-V64 HydrophobicContact CB-CG2 4.16Å; I42-V64 HydrophobicContact CD1-CG2 3.94Å; I42-V64 HydrophobicContact CG1-CG2 4.19Å; I42-Q65 PolarHBondContact O-N 2.78Å
43W53.5Low60.6Low118 Ų11868.8 Ų68.845%0.44732%0.315SS..EExtended strand (participates in β ladder)trans-101110.3173-73.486.5000108.9T10 Q65T10-W43 PolarHBondContact N-O 2.94Å; T10-W43 PolarHBondContact O-N 2.79Å; W43-Q65 WeakPolarHBondContact CA-O 3.32Å; W43-Q65 HydrophobicContact CD2-CB 4.17Å; W43-Q65 HydrophobicContact CE3-CB 4.02Å; W43-Q65 HydrophobicContact CE3-CG 4.1Å; W43-Q65 HydrophobicContact CH2-CB 4.18Å; W43-Q65 HydrophobicContact CH2-CG 3.79Å; W43-Q65 HydrophobicContact CZ2-CB 4.27Å; W43-Q65 HydrophobicContact CZ2-CG 4.34Å; W43-Q65 HydrophobicContact CZ3-CB 4.03Å; W43-Q65 HydrophobicContact CZ3-CG 3.64Å
44R61.6Low60.6Low4 Ų462 Ų622%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-103.1126.7176.1-93.4-178.6160.7-146.1-23.8110.8G8 V9 I42 Y47 G48 V50 Q65 Q66 G67G8-R44 CarbonylContact O-C 3.6Å; G8-R44 WeakPolarHBondContact O-CA 3.27Å; V9-R44 HydrophobicContact CG1-CG 4.34Å; V9-R44 HydrophobicContact CG2-CG 4.02Å; I42-R44 HydrophobicContact CG2-CG 4.31Å; R44-Y47 PolarHBondContact NH2-O 2.88Å; R44-G48 PolarHBondContact NH1-O 3.22Å; R44-G48 PolarHBondContact NH2-O 2.86Å; R44-V50 VanDerWaalsContact CZ-CG2 3.42Å; R44-Q65 PolarHBondContact N-O 2.84Å; R44-Q66 HydrophobicContact CB-CB 4.46Å; R44-Q66 HydrophobicContact CB-CG 4.05Å; R44-G67 PolarHBondContact O-N 2.63Å
45R52.6Low60.3Low203 Ų20358.3 Ų58.377%0.76628%0.283SS*.  trans-98.6-52.1167.6-71.7-169.9175.7-167-0.5111G8G8-R45 PolarHBondContact O-N 2.89Å
46Q53.4Low60.2Low67 Ų6762.4 Ų62.431%0.31330%0.297SS..SBendtrans-162.1154179.2-64.8-167.4-35.200113.9G8 S69 T72G8-Q46 WeakPolarHBondContact CA-O 3.45Å; G8-Q46 PolarHBondContact O-N 2.95Å; Q46-S69 PolarHBondContact NE2-OG 3.33Å; Q46-T72 HydrophobicContact CB-CG2 3.58Å; Q46-T72 HydrophobicContact CG-CG2 3.33Å; Q46-T72 PolarHBondContact NE2-OG1 2.83Å
47Y53.9Low60.2Low154 Ų15465 Ų6560%0.60430%0.297SS*.  trans69.4140.6168.2-60.3-76.9000122.2R44 T72R44-Y47 PolarHBondContact NH2-O 2.88Å; Y47-T72 HydrophobicContact CE2-CG2 4.19Å
48G57.8Low60.2Low28 Ų2861.1 Ų61.129%0.28928%0.279SS..SBendtrans92153.6164.900000115.7R44 G75R44-G48 PolarHBondContact NH1-O 3.22Å; R44-G48 PolarHBondContact NH2-O 2.86Å; G48-G75 WeakPolarHBondContact O-CA 3.41Å
49D65.9Low60.4Low71 Ų7164.8 Ų64.838%0.3830%0.299SS..EExtended strand (participates in β ladder)trans-71.2149.5165.6-62.5-21.3000109D26 G27 D28 G75 D76D26-D49 PolarHBondContact O-N 3.02Å; D26-D49 VanDerWaalsContact O-N 3.11Å; G27-D49 CarbonylContact C-O 3.46Å; G27-D49 WeakPolarHBondContact CA-O 3.41Å; D28-D49 PolarHBondContact N-O 3.24Å; D49-G75 VanDerWaalsContact OD1-CA 3.23Å; D49-G75 WeakPolarHBondContact OD1-CA 3.34Å; D49-D76 CarbonylContact C-O 3.37Å; D49-D76 VanDerWaalsContact CA-O 3.26Å; D49-D76 WeakPolarHBondContact CA-O 3.19Å; D49-D76 PolarHBondContact OD1-N 2.83Å
50V67.5Low60.7Low3 Ų363 Ų632%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-123.6124.4169.9148.30000108.8D28 R44 I52 D76 M78D28-V50 HydrophobicContact CB-CG2 3.97Å; D28-V50 WeakPolarHBondContact O-CA 3.31Å; R44-V50 VanDerWaalsContact CZ-CG2 3.42Å; V50-I52 HydrophobicContact CG1-CD1 3.82Å; V50-I52 HydrophobicContact CG1-CG1 3.47Å; V50-I52 VanDerWaalsContact CG1-CG1 3.47Å; V50-D76 PolarHBondContact N-O 3.31Å; V50-M78 PolarHBondContact O-N 3.5Å
51M67.5Low61Low84 Ų8468.6 Ų68.641%0.41431%0.308SS..EExtended strand (participates in β ladder)trans-109.3120.1170.7-171.7-179.6-66.100108.7D28 V29 I30 M78D28-M51 PolarHBondContact O-N 3.24Å; V29-M51 WeakPolarHBondContact CA-O 3.33Å; V29-M51 HydrophobicContact CG2-CB 4.35Å; I30-M51 PolarHBondContact N-O 2.84Å; M51-M78 CarbonylContact C-O 3.43Å; M51-M78 WeakPolarHBondContact CA-O 3.49Å; M51-M78 HydrophobicContact CE-SD 3.8Å; M51-M78 HydrophobicContact CG-CB 4.35Å; M51-M78 HydrophobicContact CG-SD 4.39Å; M51-M78 HydrophobicContact SD-SD 4.48Å
52I69.8Low61.4Low0 Ų065.2 Ų65.20%029%0.293CS..EExtended strand (participates in β ladder)trans-111.6121.2177-50.2178.6000106.8I30 M32 I42 V50 M54 M78 I79 S80I30-I52 WeakPolarHBondContact O-CA 3.41Å; M32-I52 HydrophobicContact CE-CG2 3.64Å; I42-I52 HydrophobicContact CD1-CD1 3.04Å; I42-I52 HydrophobicContact CD1-CG1 4.42Å; I42-I52 HydrophobicContact CG1-CD1 4.5Å; V50-I52 HydrophobicContact CG1-CD1 3.82Å; V50-I52 HydrophobicContact CG1-CG1 3.47Å; V50-I52 VanDerWaalsContact CG1-CG1 3.47Å; I52-M54 HydrophobicContact CG2-CE 3.79Å; I52-M54 HydrophobicContact CG2-CG 4.3Å; I52-M78 PolarHBondContact N-O 3.31Å; I52-I79 HydrophobicContact CD1-CG1 4.37Å; I52-S80 PolarHBondContact O-N 3.34Å
53S67.3Low61.5Low33 Ų3367.8 Ų67.823%0.23131%0.305CS..EExtended strand (participates in β ladder)trans-119.3123.9176.9-174.50000109.3I30 S31 M32 S80I30-S53 PolarHBondContact O-N 3.41Å; S31-S53 CarbonylContact C-O 3.57Å; S31-S53 WeakPolarHBondContact CA-O 3.33Å; M32-S53 PolarHBondContact N-O 3.13Å; S53-S80 CarbonylContact C-O 3.57Å; S53-S80 WeakPolarHBondContact CA-O 3.28Å
54M68.3Low62Low5 Ų562.3 Ų62.33%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-117.7133.4176.6-49.9-164.3-15700110.3M32 V38 A40 I52 V60 T62 S80 V81 S82M32-M54 HydrophobicContact CE-CE 3.36Å; M32-M54 HydrophobicContact CE-CG 3.54Å; M32-M54 HydrophobicContact CE-SD 3.53Å; M32-M54 VanDerWaalsContact CE-SD 3.53Å; M32-M54 WeakPolarHBondContact O-CA 3.35Å; V38-M54 HydrophobicContact CB-SD 4.35Å; V38-M54 HydrophobicContact CG1-CE 4.44Å; V38-M54 HydrophobicContact CG1-SD 4.23Å; V38-M54 HydrophobicContact CG2-SD 4.37Å; A40-M54 HydrophobicContact CB-CE 4.36Å; I52-M54 HydrophobicContact CG2-CE 3.79Å; I52-M54 HydrophobicContact CG2-CG 4.3Å; M54-V60 HydrophobicContact CE-CG1 3.73Å; M54-V60 HydrophobicContact SD-CG1 3.53Å; M54-V60 VanDerWaalsContact SD-CG1 3.53Å; M54-V60 HydrophobicContact SD-CG2 4.17Å; M54-T62 HydrophobicContact CE-CG2 3.39Å; M54-S80 PolarHBondContact N-O 2.88Å; M54-V81 HydrophobicContact CB-CG1 4.44Å; M54-V81 HydrophobicContact CB-CG2 4.41Å; M54-V81 HydrophobicContact CG-CG2 4.42Å; M54-V81 HydrophobicContact SD-CG2 4.42Å; M54-S82 WeakPolarHBondContact O-CB 3.33Å; M54-S82 PolarHBondContact O-N 2.95Å; M54-S82 PolarHBondContact O-OG 2.88Å
55L61.4Low62.1Low101 Ų10165.7 Ų65.753%0.52930%0.3SS..  trans-117.558-174.8-138112000112.2M32M32-L55 PolarHBondContact O-N 2.78Å
56R64.5Low62.6Low95 Ų9556.5 Ų56.536%0.35827%0.266SS..  trans73.8163.1177.5-39.7-153.8-144.9-177.3-134.5116R83R56-R83 WeakPolarHBondContact CA-O 3.31Å; R56-R83 HydrophobicContact CG-CB 3.77Å; R56-R83 HydrophobicContact CG-CG 3.97Å
57R55.5Low62.6Low177 Ų17755 Ų5567%0.66827%0.268SS*.  cis-156.895.415.7-153.2-179.9-162.3-176.11.9109.4C35C35-R57 PolarHBondContact O-N 2.82Å; C35-R57 VanDerWaalsContact O-N 3.15Å
58G58.5Low62.5Low11 Ų1152.1 Ų52.111%0.11328%0.276CS..SBendtrans164.5-166.5179.900000111.1D36 V60D36-G58 WeakPolarHBondContact O-CA 3.44Å; G58-V60 PolarHBondContact O-N 2.77Å
59D59.7Low62.2Low81 Ų8152.8 Ų52.843%0.43328%0.276SS..  trans-75.5123.4-179.9-69.7-12.4000109.9D37 V38 D86D37-D59 PolarHBondContact OD1-N 2.81Å; D37-D59 VanDerWaalsContact OD1-N 3.16Å; V38-D59 PolarHBondContact N-O 2.96Å; D59-D86 WeakPolarHBondContact CA-O 3.46Å; D59-D86 WeakPolarHBondContact OD1-CB 3.18Å
60V61.1Low61.5Low10 Ų1054.9 Ų54.96%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-100.7112.2178.91780000109M54 G58 T62 V81 C84 D86 A87 T88M54-V60 HydrophobicContact CE-CG1 3.73Å; M54-V60 HydrophobicContact SD-CG1 3.53Å; M54-V60 VanDerWaalsContact SD-CG1 3.53Å; M54-V60 HydrophobicContact SD-CG2 4.17Å; G58-V60 PolarHBondContact O-N 2.77Å; V60-T62 HydrophobicContact CG1-CG2 4.04Å; V60-V81 HydrophobicContact CG1-CG2 4.06Å; V60-V81 HydrophobicContact CG2-CG1 3.94Å; V60-C84 HydrophobicContact CG2-CB 4.28Å; V60-D86 PolarHBondContact N-O 3.15Å; V60-A87 HydrophobicContact CB-CB 4.49Å; V60-A87 CarbonylContact O-C 3.59Å; V60-T88 CarbonylContact O-C 3.56Å; V60-T88 PolarHBondContact O-N 2.78Å
61R64.1Low60.6Low119 Ų11961.8 Ų61.845%0.44933%0.334SS..EExtended strand (participates in β ladder)trans-109.7101.3171.4-164.9175.6-170.3137.40.5110.9V38 P39 A40 T88 E90V38-R61 CarbonylContact O-C 3.6Å; V38-R61 VanDerWaalsContact O-C 3.23Å; V38-R61 WeakPolarHBondContact O-CA 3.23Å; V38-R61 PolarHBondContact O-N 3.47Å; P39-R61 CarbonylContact C-O 3.58Å; P39-R61 VanDerWaalsContact CA-O 3.22Å; P39-R61 WeakPolarHBondContact CA-O 3.04Å; A40-R61 PolarHBondContact N-O 2.79Å; R61-T88 CarbonylContact C-O 3.57Å; R61-T88 VanDerWaalsContact CA-O 3.28Å; R61-T88 WeakPolarHBondContact CA-O 3.34Å; R61-T88 HydrophobicContact CG-CG2 4.34Å; R61-E90 IonicContact CZ-OE1 3.16Å; R61-E90 IonicContact NE-OE1 2.75Å; R61-E90 IonicContact NH2-OE1 3.12Å; R61-E90 PolarHBondContact NH2-OE1 3.12Å; R61-E90 IonicContact NH2-OE2 3.52Å
62T62.6Low59.8Low2 Ų258.2 Ų58.21%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-94.5123.6173.450.60000109.9A40 M54 V60 I79 T88 A89 E90A40-T62 HydrophobicContact CB-CG2 4.05Å; M54-T62 HydrophobicContact CE-CG2 3.39Å; V60-T62 HydrophobicContact CG1-CG2 4.04Å; T62-I79 HydrophobicContact CG2-CG2 4.38Å; T62-T88 PolarHBondContact N-O 2.71Å; T62-A89 WeakPolarHBondContact OG1-CA 2.96Å; T62-E90 PolarHBondContact O-N 3.44Å; T62-E90 VanDerWaalsContact O-O 3.11Å
63Q64.1Low59.1Low58 Ų5869 Ų6927%0.27136%0.357SS..EExtended strand (participates in β ladder)trans-115111.7171.2-85.5-175.31.800109.1A40 E41 I42 E90A40-Q63 PolarHBondContact O-N 2.76Å; E41-Q63 CarbonylContact C-O 3.58Å; E41-Q63 WeakPolarHBondContact CA-O 3.16Å; E41-Q63 HydrophobicContact CG-CB 4.03Å; I42-Q63 PolarHBondContact N-O 2.74Å; Q63-E90 CarbonylContact C-O 3.55Å; Q63-E90 VanDerWaalsContact CA-O 3.25Å; Q63-E90 WeakPolarHBondContact CA-O 3.36Å; Q63-E90 HydrophobicContact CG-CB 3.81Å; Q63-E90 PolarHBondContact NE2-OE2 2.66Å
64V65Low58.6Low3 Ų368 Ų682%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-108.9110.5177-175.40000109.1I42 I79 E90 M91 R92I42-V64 HydrophobicContact CB-CB 4.44Å; I42-V64 HydrophobicContact CB-CG1 4.3Å; I42-V64 HydrophobicContact CB-CG2 4.16Å; I42-V64 HydrophobicContact CD1-CG2 3.94Å; I42-V64 HydrophobicContact CG1-CG2 4.19Å; V64-I79 HydrophobicContact CG2-CD1 4.33Å; V64-E90 PolarHBondContact N-O 3.15Å; V64-M91 HydrophobicContact CB-CE 3.87Å; V64-M91 HydrophobicContact CB-CG 4.11Å; V64-M91 HydrophobicContact CG1-CE 4.15Å; V64-M91 HydrophobicContact CG2-CE 3.92Å; V64-R92 CarbonylContact O-C 3.53Å; V64-R92 PolarHBondContact O-N 2.83Å
65Q64Low58.4Low75 Ų7568.4 Ų68.435%0.3536%0.355SS..EExtended strand (participates in β ladder)trans-113.1121.5177.7-164.9158.61.900110.8I42 W43 R44 R92I42-Q65 PolarHBondContact O-N 2.78Å; W43-Q65 WeakPolarHBondContact CA-O 3.32Å; W43-Q65 HydrophobicContact CD2-CB 4.17Å; W43-Q65 HydrophobicContact CE3-CB 4.02Å; W43-Q65 HydrophobicContact CE3-CG 4.1Å; W43-Q65 HydrophobicContact CH2-CB 4.18Å; W43-Q65 HydrophobicContact CH2-CG 3.79Å; W43-Q65 HydrophobicContact CZ2-CB 4.27Å; W43-Q65 HydrophobicContact CZ2-CG 4.34Å; W43-Q65 HydrophobicContact CZ3-CB 4.03Å; W43-Q65 HydrophobicContact CZ3-CG 3.64Å; R44-Q65 PolarHBondContact N-O 2.84Å; Q65-R92 WeakPolarHBondContact CA-O 3.03Å; Q65-R92 HydrophobicContact CG-CB 4.44Å
66Q62.1Low58.8Low9 Ų965.9 Ų65.94%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-115.5120.9179.8-166.5158.12600112R44 C74 R92 R93 S94R44-Q66 HydrophobicContact CB-CB 4.46Å; R44-Q66 HydrophobicContact CB-CG 4.05Å; Q66-C74 VanDerWaalsContact CD-SG 3.6Å; Q66-C74 PolarHBondContact NE2-SG 2.61Å; Q66-R92 PolarHBondContact N-O 2.85Å; Q66-R93 HydrophobicContact CB-CG 3.84Å; Q66-S94 PolarHBondContact O-OG 2.77Å
67G54.5Low59.2Low36 Ų3661.4 Ų61.437%0.37133%0.326SS..  trans-64.2144179.700000112.7R44 S69 S94R44-G67 PolarHBondContact O-N 2.63Å; G67-S69 PolarHBondContact O-N 2.79Å; G67-S94 VanDerWaalsContact C-OG 3.29Å; G67-S94 PolarHBondContact O-OG 3.04Å; G67-S94 VanDerWaalsContact O-OG 3.13Å
68A50.5Low60Low93 Ų9355.9 Ų55.977%0.76931%0.308SS*.  trans-73.183.9179.800000110.9S94A68-S94 WeakPolarHBondContact CA-OG 2.91Å; A68-S94 PolarHBondContact N-OG 2.79Å
69S52.8Low60.7Low42 Ų4255.4 Ų55.429%0.29430%0.303SS..  trans-108.696.9169.9172.30000108.7Q46 G67 D71 T72 Q95Q46-S69 PolarHBondContact NE2-OG 3.33Å; G67-S69 PolarHBondContact O-N 2.79Å; S69-D71 PolarHBondContact O-N 3.06Å; S69-T72 WeakPolarHBondContact CB-OG1 3.47Å; S69-T72 PolarHBondContact O-N 2.74Å; S69-T72 PolarHBondContact O-OG1 2.84Å; S69-T72 PolarHBondContact OG-OG1 2.86Å; S69-T72 VanDerWaalsContact OG-OG1 3.07Å; S69-Q95 VanDerWaalsContact C-NE2 3.26Å; S69-Q95 PolarHBondContact O-NE2 2.8Å; S69-Q95 PolarHBondContact O-OE1 3.27Å
70S50.6Low61.5Low116 Ų11653.1 Ų53.181%0.81129%0.293SS*.THydrogen-bonded Turntrans-48.5-13-172.745.70000116.7
71D47.9Very low62Low147 Ų14752.7 Ų52.779%0.78629%0.291SS*.THydrogen-bonded Turntrans-119.221.6-166.1-147.96.5000114.6S69S69-D71 PolarHBondContact O-N 3.06Å
72T50.8Low62.4Low9 Ų948.4 Ų48.46%0.05528%0.279CS..  trans-121121.3-173.6-15.70000114.3Q46 Y47 S69 C74 Q95Q46-T72 HydrophobicContact CB-CG2 3.58Å; Q46-T72 HydrophobicContact CG-CG2 3.33Å; Q46-T72 PolarHBondContact NE2-OG1 2.83Å; Y47-T72 HydrophobicContact CE2-CG2 4.19Å; S69-T72 WeakPolarHBondContact CB-OG1 3.47Å; S69-T72 PolarHBondContact O-N 2.74Å; S69-T72 PolarHBondContact O-OG1 2.84Å; S69-T72 PolarHBondContact OG-OG1 2.86Å; S69-T72 VanDerWaalsContact OG-OG1 3.07Å; T72-C74 PolarHBondContact O-N 2.84Å; T72-C74 PolarHBondContact O-SG 2.82Å; T72-C74 VanDerWaalsContact O-SG 3.38Å; T72-Q95 PolarHBondContact O-OE1 2.76Å; T72-Q95 VanDerWaalsContact O-OE1 3.1Å
73R55.1Low62.7Low228 Ų22852.5 Ų52.586%0.8629%0.294SS*.  trans-62.8107.9159.6-73.7-175.1179.7-173.9-0.1108.2
74C57.8Low62.9Low11 Ų1150 Ų507%0.07428%0.283CS..PPolyproline II helixtrans-90.3130.3173.8-54.70000107.7Q66 T72 N96Q66-C74 VanDerWaalsContact CD-SG 3.6Å; Q66-C74 PolarHBondContact NE2-SG 2.61Å; T72-C74 PolarHBondContact O-N 2.84Å; T72-C74 PolarHBondContact O-SG 2.82Å; T72-C74 VanDerWaalsContact O-SG 3.38Å; C74-N96 VanDerWaalsContact CB-O 3.24Å; C74-N96 WeakPolarHBondContact CB-O 3.17Å
75G63.1Low63.2Low13 Ų1353.9 Ų53.913%0.13430%0.303CS..PPolyproline II helixtrans-69.4171.4176.800000111.9G48 D49 R93G48-G75 WeakPolarHBondContact O-CA 3.41Å; D49-G75 VanDerWaalsContact OD1-CA 3.23Å; D49-G75 WeakPolarHBondContact OD1-CA 3.34Å; G75-R93 PolarHBondContact O-NH2 3.01Å
76D71.4Confident63.5Low48 Ų4854.1 Ų54.126%0.25731%0.307SS..PPolyproline II helixtrans-69.5150.7179.3-65.9-17.5000110.3D49 V50 H98D49-D76 CarbonylContact C-O 3.37Å; D49-D76 VanDerWaalsContact CA-O 3.26Å; D49-D76 WeakPolarHBondContact CA-O 3.19Å; D49-D76 PolarHBondContact OD1-N 2.83Å; V50-D76 PolarHBondContact N-O 3.31Å; D76-H98 WeakPolarHBondContact CA-O 3.46Å; D76-H98 HydrophobicContact CB-CB 4.37Å; D76-H98 WeakPolarHBondContact OD1-CA 3.05Å; D76-H98 WeakPolarHBondContact OD1-CB 3.37Å; D76-H98 IonicContact OD1-CD2 2.72Å; D76-H98 PolarHBondContact OD1-CD2 2.74Å; D76-H98 IonicContact OD1-CG 3.69Å; D76-H98 PolarHBondContact OD1-N 2.81Å; D76-H98 IonicContact OD2-CD2 3.83Å
77V71.3Confident63.7Low2 Ų253.8 Ų53.81%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-116.2117.4174.4174.90000107.2I79 M91 H98 L99 M100V77-I79 HydrophobicContact CG1-CD1 4.24Å; V77-I79 HydrophobicContact CG1-CG1 3.89Å; V77-M91 HydrophobicContact CB-CE 4.48Å; V77-M91 HydrophobicContact CG1-CE 4.14Å; V77-H98 PolarHBondContact N-O 2.79Å; V77-L99 HydrophobicContact CB-CD1 4.16Å; V77-L99 HydrophobicContact CG1-CD1 4.08Å; V77-L99 WeakPolarHBondContact O-CA 3.31Å; V77-L99 WeakPolarHBondContact O-CD1 3.4Å; V77-M100 PolarHBondContact O-N 2.03Å
78M73Confident64.4Low60 Ų6053.8 Ų53.830%0.29630%0.299SS..EExtended strand (participates in β ladder)trans-107.8120.3171.2-172.1177.1-71.300108.9V50 M51 I52 M100V50-M78 PolarHBondContact O-N 3.5Å; M51-M78 CarbonylContact C-O 3.43Å; M51-M78 WeakPolarHBondContact CA-O 3.49Å; M51-M78 HydrophobicContact CE-SD 3.8Å; M51-M78 HydrophobicContact CG-CB 4.35Å; M51-M78 HydrophobicContact CG-SD 4.39Å; M51-M78 HydrophobicContact SD-SD 4.48Å; I52-M78 PolarHBondContact N-O 3.31Å; M78-M100 CarbonylContact C-O 3.35Å; M78-M100 VanDerWaalsContact CA-O 3.28Å; M78-M100 WeakPolarHBondContact CA-O 3.07Å; M78-M100 HydrophobicContact CE-CB 4.31Å; M78-M100 HydrophobicContact CE-CE 3.41Å; M78-M100 VanDerWaalsContact CE-CE 3.41Å; M78-M100 HydrophobicContact CE-SD 3.74Å; M78-M100 HydrophobicContact CG-CB 4.2Å
79I74Confident65.2Low2 Ų249.4 Ų49.41%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-112.8121.1172.4-53.6179000106.9I52 T62 V64 V77 V81 M100 I101 S102I52-I79 HydrophobicContact CD1-CG1 4.37Å; T62-I79 HydrophobicContact CG2-CG2 4.38Å; V64-I79 HydrophobicContact CG2-CD1 4.33Å; V77-I79 HydrophobicContact CG1-CD1 4.24Å; V77-I79 HydrophobicContact CG1-CG1 3.89Å; I79-V81 HydrophobicContact CG2-CG2 4.19Å; I79-M100 PolarHBondContact N-O 2.8Å; I79-I101 HydrophobicContact CB-CG1 4.48Å; I79-I101 CarbonylContact O-C 3.56Å; I79-I101 WeakPolarHBondContact O-CA 3.01Å; I79-S102 PolarHBondContact O-N 2.92Å
80S75.9Confident65.8Low32 Ų3249.3 Ų49.322%0.22426%0.258CS..EExtended strand (participates in β ladder)trans-121.6115.4176.4-176.70000109I52 S53 M54 S102I52-S80 PolarHBondContact O-N 3.34Å; S53-S80 CarbonylContact C-O 3.57Å; S53-S80 WeakPolarHBondContact CA-O 3.28Å; M54-S80 PolarHBondContact N-O 2.88Å; S80-S102 WeakPolarHBondContact CA-O 3.43Å
81V72.1Confident66.4Low1 Ų144 Ų441%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-113.6105.4175.9-177.90000107.4M54 V60 I79 R83 C84 S102 M103 P104M54-V81 HydrophobicContact CB-CG1 4.44Å; M54-V81 HydrophobicContact CB-CG2 4.41Å; M54-V81 HydrophobicContact CG-CG2 4.42Å; M54-V81 HydrophobicContact SD-CG2 4.42Å; V60-V81 HydrophobicContact CG1-CG2 4.06Å; V60-V81 HydrophobicContact CG2-CG1 3.94Å; I79-V81 HydrophobicContact CG2-CG2 4.19Å; V81-R83 PolarHBondContact O-N 3.45Å; V81-C84 HydrophobicContact CG1-CB 3.89Å; V81-S102 PolarHBondContact N-O 3.24Å; V81-M103 HydrophobicContact CB-CE 4.41Å; V81-M103 HydrophobicContact CB-CG 3.86Å; V81-M103 HydrophobicContact CG2-CE 3.98Å; V81-M103 HydrophobicContact CG2-CG 4.44Å; V81-P104 WeakPolarHBondContact O-CD 3.28Å
82S71.2Confident67.3Low29 Ų2943.7 Ų43.720%0.20321%0.208CC..SBendtrans-63-45.8-168.6-49.20000111.8M54M54-S82 WeakPolarHBondContact O-CB 3.33Å; M54-S82 PolarHBondContact O-N 2.95Å; M54-S82 PolarHBondContact O-OG 2.88Å
83R69.8Low67.9Low89 Ų8943.5 Ų43.534%0.33621%0.206SC..  trans-151.6143.9170.1-33.5-170.9-164.1178.6-5.5111.2R56 V81 R105R56-R83 WeakPolarHBondContact CA-O 3.31Å; R56-R83 HydrophobicContact CG-CB 3.77Å; R56-R83 HydrophobicContact CG-CG 3.97Å; V81-R83 PolarHBondContact O-N 3.45Å; R83-R105 WeakPolarHBondContact CA-O 3.46Å; R83-R105 HydrophobicContact CB-CB 4.11Å; R83-R105 WeakPolarHBondContact CB-O 3.28Å; R83-R105 HydrophobicContact CG-CB 3.95Å
84C69.1Low67.9Low5 Ų533.7 Ų33.73%0.03417%0.173CC..EExtended strand (participates in β ladder)trans-149.3165.5176.569.70000110.1V60 V81 D86 A87 R105 C106 D107V60-C84 HydrophobicContact CG2-CB 4.28Å; V81-C84 HydrophobicContact CG1-CB 3.89Å; C84-D86 VanDerWaalsContact SG-C 3.5Å; C84-A87 WeakPolarHBondContact SG-CB 3.31Å; C84-A87 PolarHBondContact SG-N 3.48Å; C84-A87 VanDerWaalsContact SG-N 3.45Å; C84-R105 PolarHBondContact N-O 3.15Å; C84-R105 VanDerWaalsContact N-O 3.13Å; C84-C106 HydrophobicContact CB-CB 4.37Å; C84-C106 WeakPolarHBondContact CB-SG 3.48Å; C84-C106 PolarHBondContact N-SG 2.9Å; C84-C106 VanDerWaalsContact N-SG 3.41Å; C84-C106 VanDerWaalsContact O-CA 3.29Å; C84-C106 WeakPolarHBondContact O-CA 3.41Å; C84-C106 WeakPolarHBondContact SG-CB 3.32Å; C84-C106 CovalentContact SG-SG 2.03Å; C84-C106 PolarHBondContact SG-SG 2.9Å; C84-D107 PolarHBondContact O-N 3.45Å
85D70.4Confident68Low84 Ų8434 Ų3445%0.44917%0.173SC..EExtended strand (participates in β ladder)trans-83.2-63.8168.7-60.3-16.6000105.5D107 G108D85-D107 CarbonylContact O-C 3.53Å; D85-D107 WeakPolarHBondContact O-CA 3.22Å; D85-D107 WeakPolarHBondContact O-CB 3.42Å; D85-D107 PolarHBondContact O-N 3.49Å; D85-G108 PolarHBondContact O-N 3.45Å
86D69.3Low67.7Low81 Ų8136.9 Ų36.943%0.43319%0.185SC..EExtended strand (participates in β ladder)trans-116.8141.8166.1-66.4-51.4000113.3D59 V60 C84 G108D59-D86 WeakPolarHBondContact CA-O 3.46Å; D59-D86 WeakPolarHBondContact OD1-CB 3.18Å; V60-D86 PolarHBondContact N-O 3.15Å; C84-D86 VanDerWaalsContact SG-C 3.5Å; D86-G108 WeakPolarHBondContact CA-O 3.37Å; D86-G108 WeakPolarHBondContact OD1-CA 3.46Å
87A66.7Low67.3Low2 Ų235 Ų352%0.01718%0.177CC..EExtended strand (participates in β ladder)trans-119.3121.7168.600000111.1V60 C84 M103 G108 F109 T110V60-A87 HydrophobicContact CB-CB 4.49Å; V60-A87 CarbonylContact O-C 3.59Å; C84-A87 WeakPolarHBondContact SG-CB 3.31Å; C84-A87 PolarHBondContact SG-N 3.48Å; C84-A87 VanDerWaalsContact SG-N 3.45Å; A87-M103 HydrophobicContact CB-CE 4.02Å; A87-M103 HydrophobicContact CB-CG 4.49Å; A87-M103 HydrophobicContact CB-SD 4.46Å; A87-G108 PolarHBondContact N-O 3.34Å; A87-F109 HydrophobicContact CB-CD2 3.84Å; A87-F109 CarbonylContact O-C 3.48Å; A87-F109 VanDerWaalsContact O-CA 3.31Å; A87-F109 WeakPolarHBondContact O-CA 3.33Å; A87-F109 VanDerWaalsContact O-CD2 3.23Å; A87-F109 WeakPolarHBondContact O-CD2 3.28Å; A87-T110 PolarHBondContact O-N 3.27Å
88T69.8Low67.3Low35 Ų3538.1 Ų38.122%0.21519%0.192CC..EExtended strand (participates in β ladder)trans-105.5123.7165.5-580000110.8V60 R61 T62 E90 T110V60-T88 CarbonylContact O-C 3.56Å; V60-T88 PolarHBondContact O-N 2.78Å; R61-T88 CarbonylContact C-O 3.57Å; R61-T88 VanDerWaalsContact CA-O 3.28Å; R61-T88 WeakPolarHBondContact CA-O 3.34Å; R61-T88 HydrophobicContact CG-CG2 4.34Å; T62-T88 PolarHBondContact N-O 2.71Å; T88-E90 HydrophobicContact CG2-CG 4.39Å; T88-T110 CarbonylContact C-O 3.51Å; T88-T110 WeakPolarHBondContact CA-O 3.17Å
89A66.7Low67.3Low2 Ų235.3 Ų35.32%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-117.7104.8173.200000110T62 I101 F109 T110 A111 E112T62-A89 WeakPolarHBondContact OG1-CA 2.96Å; A89-I101 HydrophobicContact CB-CD1 3.84Å; A89-F109 HydrophobicContact CB-CE2 3.98Å; A89-F109 HydrophobicContact CB-CZ 4.36Å; A89-T110 PolarHBondContact N-O 3.38Å; A89-A111 CarbonylContact O-C 3.58Å; A89-A111 WeakPolarHBondContact O-CA 3.46Å; A89-E112 PolarHBondContact O-N 2.88Å
90E66Low67.3Low39 Ų3938.3 Ų38.318%0.18219%0.192CC..EExtended strand (participates in β ladder)trans-99.5119.4172-84.8173.8-148.800109.8R61 T62 Q63 V64 T88 E112R61-E90 IonicContact CZ-OE1 3.16Å; R61-E90 IonicContact NE-OE1 2.75Å; R61-E90 IonicContact NH2-OE1 3.12Å; R61-E90 PolarHBondContact NH2-OE1 3.12Å; R61-E90 IonicContact NH2-OE2 3.52Å; T62-E90 PolarHBondContact O-N 3.44Å; T62-E90 VanDerWaalsContact O-O 3.11Å; Q63-E90 CarbonylContact C-O 3.55Å; Q63-E90 VanDerWaalsContact CA-O 3.25Å; Q63-E90 WeakPolarHBondContact CA-O 3.36Å; Q63-E90 HydrophobicContact CG-CB 3.81Å; Q63-E90 PolarHBondContact NE2-OE2 2.66Å; V64-E90 PolarHBondContact N-O 3.15Å; T88-E90 HydrophobicContact CG2-CG 4.39Å; E90-E112 CarbonylContact C-O 3.56Å; E90-E112 VanDerWaalsContact CA-O 3.29Å; E90-E112 WeakPolarHBondContact CA-O 3.07Å; E90-E112 HydrophobicContact CG-CB 4.02Å
91M63.8Low67.2Low4 Ų437 Ų372%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-122.4122.6175.2-175.3166.9-57.700110.9V64 V77 R93 L99 E112 M113 W114V64-M91 HydrophobicContact CB-CE 3.87Å; V64-M91 HydrophobicContact CB-CG 4.11Å; V64-M91 HydrophobicContact CG1-CE 4.15Å; V64-M91 HydrophobicContact CG2-CE 3.92Å; V77-M91 HydrophobicContact CB-CE 4.48Å; V77-M91 HydrophobicContact CG1-CE 4.14Å; M91-R93 HydrophobicContact CG-CB 4.2Å; M91-R93 HydrophobicContact CG-CG 4.16Å; M91-R93 HydrophobicContact SD-CB 4.37Å; M91-R93 HydrophobicContact SD-CG 4.02Å; M91-L99 HydrophobicContact CE-CD1 3.29Å; M91-L99 HydrophobicContact CE-CD2 3.64Å; M91-L99 HydrophobicContact CE-CG 4Å; M91-L99 HydrophobicContact SD-CB 4.43Å; M91-L99 HydrophobicContact SD-CD1 4.16Å; M91-L99 HydrophobicContact SD-CD2 3.65Å; M91-L99 HydrophobicContact SD-CG 4.31Å; M91-E112 PolarHBondContact N-O 3.02Å; M91-M113 HydrophobicContact CB-CG 4.24Å; M91-W114 PolarHBondContact O-N 3.24Å
92R66.5Low67.5Low142 Ų14239 Ų3954%0.53620%0.197SC..EExtended strand (participates in β ladder)trans-115.691.9172.3-66.5-167.9143.6-178.4-2.8109.1V64 Q65 Q66 W114V64-R92 CarbonylContact O-C 3.53Å; V64-R92 PolarHBondContact O-N 2.83Å; Q65-R92 WeakPolarHBondContact CA-O 3.03Å; Q65-R92 HydrophobicContact CG-CB 4.44Å; Q66-R92 PolarHBondContact N-O 2.85Å; R92-W114 WeakPolarHBondContact CA-O 3.27Å; R92-W114 HydrophobicContact CG-CB 4.21Å
93R63.9Low67.7Low5 Ų537.6 Ų37.62%0.01919%0.187CC..EExtended strand (participates in β ladder)trans-110.3131.9-177-109.6-171.7164.2-175.2-6.8111.6Q66 G75 M91 W114 R115 R116Q66-R93 HydrophobicContact CB-CG 3.84Å; G75-R93 PolarHBondContact O-NH2 3.01Å; M91-R93 HydrophobicContact CG-CB 4.2Å; M91-R93 HydrophobicContact CG-CG 4.16Å; M91-R93 HydrophobicContact SD-CB 4.37Å; M91-R93 HydrophobicContact SD-CG 4.02Å; R93-W114 PolarHBondContact N-O 2.78Å; R93-R115 HydrophobicContact CB-CG 3.88Å; R93-R115 VanDerWaalsContact O-CA 3.31Å; R93-R115 WeakPolarHBondContact O-CA 3.27Å; R93-R116 PolarHBondContact O-N 3.3Å
94S55Low67.7Low22 Ų2235.5 Ų35.515%0.15419%0.185CC..  trans-92.6-14.5175.554.10000113.6Q66 G67 A68Q66-S94 PolarHBondContact O-OG 2.77Å; G67-S94 VanDerWaalsContact C-OG 3.29Å; G67-S94 PolarHBondContact O-OG 3.04Å; G67-S94 VanDerWaalsContact O-OG 3.13Å; A68-S94 WeakPolarHBondContact CA-OG 2.91Å; A68-S94 PolarHBondContact N-OG 2.79Å
95Q58.6Low67.9Low16 Ų1642 Ų428%0.07521%0.209CC..SBendtrans-143.1170.7-166.1-66.6-145.1-42.100116S69 T72S69-Q95 VanDerWaalsContact C-NE2 3.26Å; S69-Q95 PolarHBondContact O-NE2 2.8Å; S69-Q95 PolarHBondContact O-OE1 3.27Å; T72-Q95 PolarHBondContact O-OE1 2.76Å; T72-Q95 VanDerWaalsContact O-OE1 3.1Å
96N56.3Low67.9Low74 Ų7438 Ų3840%0.39619%0.188SC..  trans-62.9140.3-167.5-58.7-23.8000114.3C74 Y118C74-N96 VanDerWaalsContact CB-O 3.24Å; C74-N96 WeakPolarHBondContact CB-O 3.17Å; N96-Y118 WeakPolarHBondContact CA-O 3.01Å; N96-Y118 WeakPolarHBondContact CB-O 3.27Å; N96-Y118 PolarHBondContact OD1-N 2.79Å; N96-Y118 VanDerWaalsContact OD1-N 3.11Å; N96-Y118 PolarHBondContact OD1-O 2.74Å
97G64.5Low67.9Low9 Ų938.3 Ų38.39%0.09319%0.189CC..  trans150.8145.8174.700000111.6R115 Y118G97-R115 PolarHBondContact O-NH1 2.8Å; G97-R115 PolarHBondContact O-NH2 2.79Å; G97-Y118 PolarHBondContact N-O 2.77Å
98H71.2Confident68.1Low68 Ų6838.3 Ų38.332%0.31519%0.19SC..  trans-71.5149.4178.7-59.4-83000110.6D76 V77 D120D76-H98 WeakPolarHBondContact CA-O 3.46Å; D76-H98 HydrophobicContact CB-CB 4.37Å; D76-H98 WeakPolarHBondContact OD1-CA 3.05Å; D76-H98 WeakPolarHBondContact OD1-CB 3.37Å; D76-H98 IonicContact OD1-CD2 2.72Å; D76-H98 PolarHBondContact OD1-CD2 2.74Å; D76-H98 IonicContact OD1-CG 3.69Å; D76-H98 PolarHBondContact OD1-N 2.81Å; D76-H98 IonicContact OD2-CD2 3.83Å; V77-H98 PolarHBondContact N-O 2.79Å; H98-D120 VanDerWaalsContact CA-O 3.31Å; H98-D120 WeakPolarHBondContact CA-O 3Å; H98-D120 IonicContact CE1-OD2 3.49Å; H98-D120 PolarHBondContact CE1-OD2 3.45Å; H98-D120 WeakPolarHBondContact ND1-CB 3.3Å; H98-D120 PolarHBondContact ND1-N 2.87Å; H98-D120 IonicContact ND1-OD2 2.66Å; H98-D120 PolarHBondContact ND1-OD2 2.96Å
99L71.4Confident68.1Low0 Ų036.8 Ų36.80%018%0.18CC..EExtended strand (participates in β ladder)trans-118.8123.7168.3169.262.9000108.1V77 M91 I101 M113 R115 D120 V121 M122V77-L99 HydrophobicContact CB-CD1 4.16Å; V77-L99 HydrophobicContact CG1-CD1 4.08Å; V77-L99 WeakPolarHBondContact O-CA 3.31Å; V77-L99 WeakPolarHBondContact O-CD1 3.4Å; M91-L99 HydrophobicContact CE-CD1 3.29Å; M91-L99 HydrophobicContact CE-CD2 3.64Å; M91-L99 HydrophobicContact CE-CG 4Å; M91-L99 HydrophobicContact SD-CB 4.43Å; M91-L99 HydrophobicContact SD-CD1 4.16Å; M91-L99 HydrophobicContact SD-CD2 3.65Å; M91-L99 HydrophobicContact SD-CG 4.31Å; L99-I101 HydrophobicContact CD1-CD1 4.22Å; L99-I101 HydrophobicContact CD1-CG1 3.71Å; L99-I101 HydrophobicContact CD2-CD1 3.89Å; L99-I101 HydrophobicContact CD2-CG1 4.17Å; L99-I101 HydrophobicContact CG-CD1 4.19Å; L99-I101 HydrophobicContact CG-CG1 3.89Å; L99-M113 HydrophobicContact CD2-CG 4.3Å; L99-M113 HydrophobicContact CD2-SD 3.33Å; L99-M113 WeakPolarHBondContact CD2-SD 3.17Å; L99-R115 VanDerWaalsContact CB-NH2 3.32Å; L99-D120 PolarHBondContact N-O 2.92Å; L99-V121 HydrophobicContact CB-CG2 4.5Å; L99-V121 HydrophobicContact CD2-CG1 4.4Å; L99-M122 PolarHBondContact O-N 3.32Å
100M74.8Confident68.3Low65 Ų6538.9 Ų38.932%0.3219%0.192SC..EExtended strand (participates in β ladder)trans-114119.3168.8-73.7-175.9-85.400108.6V77 M78 I79 M122V77-M100 PolarHBondContact O-N 2.03Å; M78-M100 CarbonylContact C-O 3.35Å; M78-M100 VanDerWaalsContact CA-O 3.28Å; M78-M100 WeakPolarHBondContact CA-O 3.07Å; M78-M100 HydrophobicContact CE-CB 4.31Å; M78-M100 HydrophobicContact CE-CE 3.41Å; M78-M100 VanDerWaalsContact CE-CE 3.41Å; M78-M100 HydrophobicContact CE-SD 3.74Å; M78-M100 HydrophobicContact CG-CB 4.2Å; I79-M100 PolarHBondContact N-O 2.8Å; M100-M122 WeakPolarHBondContact CA-O 3.2Å; M100-M122 HydrophobicContact CG-CB 4.16Å
101I75Confident68.3Low4 Ų437 Ų372%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-112.5126170.4-63178.4000107.2I79 A89 L99 M103 F109 M122 I123 S124I79-I101 HydrophobicContact CB-CG1 4.48Å; I79-I101 CarbonylContact O-C 3.56Å; I79-I101 WeakPolarHBondContact O-CA 3.01Å; A89-I101 HydrophobicContact CB-CD1 3.84Å; L99-I101 HydrophobicContact CD1-CD1 4.22Å; L99-I101 HydrophobicContact CD1-CG1 3.71Å; L99-I101 HydrophobicContact CD2-CD1 3.89Å; L99-I101 HydrophobicContact CD2-CG1 4.17Å; L99-I101 HydrophobicContact CG-CD1 4.19Å; L99-I101 HydrophobicContact CG-CG1 3.89Å; I101-M103 HydrophobicContact CG2-CE 3.21Å; I101-M103 HydrophobicContact CG2-SD 3.2Å; I101-M103 WeakPolarHBondContact CG2-SD 3.22Å; I101-F109 HydrophobicContact CD1-CZ 4.45Å; I101-F109 HydrophobicContact CG2-CE2 4.19Å; I101-F109 HydrophobicContact CG2-CZ 4.01Å; I101-M122 PolarHBondContact N-O 2.98Å; I101-I123 HydrophobicContact CB-CG1 4.3Å; I101-I123 WeakPolarHBondContact O-CA 3.14Å; I101-S124 PolarHBondContact O-N 2.85Å
102S77.7Confident68.5Low43 Ų4339.4 Ų39.430%0.30120%0.195SC..EExtended strand (participates in β ladder)trans-128.7117.5178.6-173.70000110.4I79 S80 V81 S124I79-S102 PolarHBondContact O-N 2.92Å; S80-S102 WeakPolarHBondContact CA-O 3.43Å; V81-S102 PolarHBondContact N-O 3.24Å; S102-S124 WeakPolarHBondContact CA-O 3.23Å
103M74.4Confident68.5Low1 Ų132.7 Ų32.71%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-128.890.5175.6-70.7114.9-178.600110.2V81 A87 I101 R105 F109 S124 M125 T126V81-M103 HydrophobicContact CB-CE 4.41Å; V81-M103 HydrophobicContact CB-CG 3.86Å; V81-M103 HydrophobicContact CG2-CE 3.98Å; V81-M103 HydrophobicContact CG2-CG 4.44Å; A87-M103 HydrophobicContact CB-CE 4.02Å; A87-M103 HydrophobicContact CB-CG 4.49Å; A87-M103 HydrophobicContact CB-SD 4.46Å; I101-M103 HydrophobicContact CG2-CE 3.21Å; I101-M103 HydrophobicContact CG2-SD 3.2Å; I101-M103 WeakPolarHBondContact CG2-SD 3.22Å; M103-R105 VanDerWaalsContact C-N 3.31Å; M103-R105 PolarHBondContact O-N 2.91Å; M103-F109 HydrophobicContact CE-CD2 3.95Å; M103-F109 HydrophobicContact CE-CE2 3.48Å; M103-F109 VanDerWaalsContact CE-CE2 3.48Å; M103-F109 HydrophobicContact CE-CZ 4.38Å; M103-F109 HydrophobicContact SD-CD2 3.46Å; M103-F109 WeakPolarHBondContact SD-CD2 3.48Å; M103-F109 HydrophobicContact SD-CE2 3.29Å; M103-F109 WeakPolarHBondContact SD-CE2 3.36Å; M103-F109 HydrophobicContact SD-CG 4.26Å; M103-F109 HydrophobicContact SD-CZ 3.94Å; M103-S124 PolarHBondContact N-O 3.09Å; M103-M125 HydrophobicContact CB-CG 4.21Å; M103-M125 VanDerWaalsContact O-CA 3.31Å; M103-M125 WeakPolarHBondContact O-CA 3.31Å; M103-T126 PolarHBondContact O-N 3.08Å
104P71.4Confident68.5Low45 Ų4537.2 Ų37.229%0.29219%0.187SC..SBendtrans-71.7-20-176.723.4-32.2000114.4V81 T126V81-P104 WeakPolarHBondContact O-CD 3.28Å; P104-T126 VanDerWaalsContact O-CB 3.32Å; P104-T126 WeakPolarHBondContact O-CB 3.25Å
105R72.3Confident69.1Low141 Ų14136.6 Ų36.653%0.53218%0.181SC..SBendtrans-151.476.7-177.4-60.1-173.9-175.3-165.80.9111.9R83 C84 M103R83-R105 WeakPolarHBondContact CA-O 3.46Å; R83-R105 HydrophobicContact CB-CB 4.11Å; R83-R105 WeakPolarHBondContact CB-O 3.28Å; R83-R105 HydrophobicContact CG-CB 3.95Å; C84-R105 PolarHBondContact N-O 3.15Å; C84-R105 VanDerWaalsContact N-O 3.13Å; M103-R105 VanDerWaalsContact C-N 3.31Å; M103-R105 PolarHBondContact O-N 2.91Å
106C69.8Low69.1Low0 Ų044.8 Ų44.80%021%0.211CC..EExtended strand (participates in β ladder)trans-115.3154.3169.4-70.50000109.2C84 R127 G128C84-C106 HydrophobicContact CB-CB 4.37Å; C84-C106 WeakPolarHBondContact CB-SG 3.48Å; C84-C106 PolarHBondContact N-SG 2.9Å; C84-C106 VanDerWaalsContact N-SG 3.41Å; C84-C106 VanDerWaalsContact O-CA 3.29Å; C84-C106 WeakPolarHBondContact O-CA 3.41Å; C84-C106 WeakPolarHBondContact SG-CB 3.32Å; C84-C106 CovalentContact SG-SG 2.03Å; C84-C106 PolarHBondContact SG-SG 2.9Å; C106-R127 PolarHBondContact N-O 3.03Å; C106-R127 CarbonylContact O-C 3.58Å; C106-R127 VanDerWaalsContact O-C 3.28Å; C106-G128 WeakPolarHBondContact O-CA 3.33Å; C106-G128 PolarHBondContact O-N 2.86Å
107D70.8Confident69.2Low88 Ų8845.5 Ų45.547%0.47121%0.212SC..EExtended strand (participates in β ladder)trans-87.2-26.8175.6-64.2-19.4000109.9C84 D85 G128 D129 D130C84-D107 PolarHBondContact O-N 3.45Å; D85-D107 CarbonylContact O-C 3.53Å; D85-D107 WeakPolarHBondContact O-CA 3.22Å; D85-D107 WeakPolarHBondContact O-CB 3.42Å; D85-D107 PolarHBondContact O-N 3.49Å; D107-G128 CarbonylContact O-C 3.58Å; D107-D129 PolarHBondContact O-N 2.79Å; D107-D130 PolarHBondContact O-N 2.82Å
108G69.8Low68.7Low2 Ų250.2 Ų50.22%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-145.4154.9167.200000113.8D85 D86 A87 D130D85-G108 PolarHBondContact O-N 3.45Å; D86-G108 WeakPolarHBondContact CA-O 3.37Å; D86-G108 WeakPolarHBondContact OD1-CA 3.46Å; A87-G108 PolarHBondContact N-O 3.34Å; G108-D130 VanDerWaalsContact CA-O 3.27Å; G108-D130 WeakPolarHBondContact CA-O 3.45Å
109F69.8Low68.3Low2 Ų247.2 Ų47.21%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-139.4131.4174.9173.8-112.2000112.6A87 A89 I101 M103 A111 I123 M125 D130 D131 R132A87-F109 HydrophobicContact CB-CD2 3.84Å; A87-F109 CarbonylContact O-C 3.48Å; A87-F109 VanDerWaalsContact O-CA 3.31Å; A87-F109 WeakPolarHBondContact O-CA 3.33Å; A87-F109 VanDerWaalsContact O-CD2 3.23Å; A87-F109 WeakPolarHBondContact O-CD2 3.28Å; A89-F109 HydrophobicContact CB-CE2 3.98Å; A89-F109 HydrophobicContact CB-CZ 4.36Å; I101-F109 HydrophobicContact CD1-CZ 4.45Å; I101-F109 HydrophobicContact CG2-CE2 4.19Å; I101-F109 HydrophobicContact CG2-CZ 4.01Å; M103-F109 HydrophobicContact CE-CD2 3.95Å; M103-F109 HydrophobicContact CE-CE2 3.48Å; M103-F109 VanDerWaalsContact CE-CE2 3.48Å; M103-F109 HydrophobicContact CE-CZ 4.38Å; M103-F109 HydrophobicContact SD-CD2 3.46Å; M103-F109 WeakPolarHBondContact SD-CD2 3.48Å; M103-F109 HydrophobicContact SD-CE2 3.29Å; M103-F109 WeakPolarHBondContact SD-CE2 3.36Å; M103-F109 HydrophobicContact SD-CG 4.26Å; M103-F109 HydrophobicContact SD-CZ 3.94Å; F109-A111 HydrophobicContact CD1-CB 4.4Å; F109-A111 HydrophobicContact CE1-CB 3.37Å; F109-A111 HydrophobicContact CE2-CB 4.23Å; F109-A111 HydrophobicContact CZ-CB 3.3Å; F109-I123 HydrophobicContact CE1-CD1 4.34Å; F109-I123 HydrophobicContact CE1-CG2 3.76Å; F109-I123 HydrophobicContact CZ-CG2 4.26Å; F109-M125 HydrophobicContact CB-CE 3.38Å; F109-M125 HydrophobicContact CB-SD 3.33Å; F109-M125 WeakPolarHBondContact CB-SD 3.39Å; F109-M125 HydrophobicContact CD1-SD 3.3Å; F109-M125 WeakPolarHBondContact CD1-SD 3.29Å; F109-M125 HydrophobicContact CD2-SD 4.43Å; F109-M125 HydrophobicContact CE1-SD 4.14Å; F109-M125 HydrophobicContact CG-CE 4.15Å; F109-M125 HydrophobicContact CG-SD 3.45Å; F109-M125 WeakPolarHBondContact CG-SD 3.36Å; F109-D130 PolarHBondContact N-O 2.77Å; F109-D131 PolarHBondContact N-OD1 3.16Å; F109-R132 PolarHBondContact O-N 3.44Å
110T70.3Confident68.3Low46 Ų4649.9 Ų49.928%0.28223%0.23SC..EExtended strand (participates in β ladder)trans-117.9114.4167.6-590000111.3A87 T88 A89 E112 R132A87-T110 PolarHBondContact O-N 3.27Å; T88-T110 CarbonylContact C-O 3.51Å; T88-T110 WeakPolarHBondContact CA-O 3.17Å; A89-T110 PolarHBondContact N-O 3.38Å; T110-E112 HydrophobicContact CG2-CG 4.41Å; T110-R132 CarbonylContact C-O 3.54Å; T110-R132 WeakPolarHBondContact CA-O 3.35Å
111A67.2Low68.1Low0 Ų046.8 Ų46.80%022%0.215CC..EExtended strand (participates in β ladder)trans-103128.616700000110.4A89 F109 I123 R132 T133 Q134A89-A111 CarbonylContact O-C 3.58Å; A89-A111 WeakPolarHBondContact O-CA 3.46Å; F109-A111 HydrophobicContact CD1-CB 4.4Å; F109-A111 HydrophobicContact CE1-CB 3.37Å; F109-A111 HydrophobicContact CE2-CB 4.23Å; F109-A111 HydrophobicContact CZ-CB 3.3Å; A111-I123 HydrophobicContact CB-CD1 4.02Å; A111-R132 PolarHBondContact N-O 2.98Å; A111-T133 HydrophobicContact CB-CG2 4.1Å; A111-Q134 WeakPolarHBondContact O-CA 3.38Å; A111-Q134 PolarHBondContact O-N 2.03Å; A111-Q134 VanDerWaalsContact O-O 3.04Å
112E67.5Low68Low55 Ų5551 Ų5126%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-121.6111.5164.6-65.9-158.1171.800110.6A89 E90 M91 T110 Q134A89-E112 PolarHBondContact O-N 2.88Å; E90-E112 CarbonylContact C-O 3.56Å; E90-E112 VanDerWaalsContact CA-O 3.29Å; E90-E112 WeakPolarHBondContact CA-O 3.07Å; E90-E112 HydrophobicContact CG-CB 4.02Å; M91-E112 PolarHBondContact N-O 3.02Å; T110-E112 HydrophobicContact CG2-CG 4.41Å; E112-Q134 VanDerWaalsContact CA-O 3.3Å; E112-Q134 WeakPolarHBondContact CA-O 3.45Å; E112-Q134 HydrophobicContact CG-CB 4.34Å; E112-Q134 PolarHBondContact OE1-NE2 2.87Å
113M66.5Low67.7Low0 Ų049 Ų490%022%0.221CC..EExtended strand (participates in β ladder)trans-116.4126.4-178-64.7177.7-66.100110.7M91 L99 V121 I123 Q134 I135 Y136M91-M113 HydrophobicContact CB-CG 4.24Å; L99-M113 HydrophobicContact CD2-CG 4.3Å; L99-M113 HydrophobicContact CD2-SD 3.33Å; L99-M113 WeakPolarHBondContact CD2-SD 3.17Å; M113-V121 HydrophobicContact CE-CG1 3.54Å; M113-V121 HydrophobicContact SD-CG1 3.57Å; M113-V121 VanDerWaalsContact SD-CG1 3.57Å; M113-V121 HydrophobicContact SD-CG2 4.32Å; M113-I123 HydrophobicContact CE-CD1 3.55Å; M113-I123 HydrophobicContact SD-CD1 4.39Å; M113-Q134 PolarHBondContact N-O 2.9Å; M113-I135 HydrophobicContact CE-CB 4.19Å; M113-I135 HydrophobicContact CE-CD1 3.33Å; M113-I135 HydrophobicContact CE-CG1 3.33Å; M113-I135 HydrophobicContact CE-CG2 4.09Å; M113-Y136 CarbonylContact O-C 3.57Å; M113-Y136 WeakPolarHBondContact O-CA 3.3Å; M113-Y136 PolarHBondContact O-N 3.41Å; M113-Y136 VanDerWaalsContact O-O 3.07Å
114W64.8Low67.8Low101 Ų10151 Ų5138%0.38324%0.235SC..EExtended strand (participates in β ladder)trans-121.6105.5176.9-63.484.9000108.7M91 R92 R93 Y136M91-W114 PolarHBondContact O-N 3.24Å; R92-W114 WeakPolarHBondContact CA-O 3.27Å; R92-W114 HydrophobicContact CG-CB 4.21Å; R93-W114 PolarHBondContact N-O 2.78Å; W114-Y136 VanDerWaalsContact CA-O 3.3Å; W114-Y136 WeakPolarHBondContact CA-O 3.29Å; W114-Y136 HydrophobicContact CD2-CD2 4.23Å; W114-Y136 HydrophobicContact CD2-CG 4.17Å; W114-Y136 AromaticContact CE2-CD2 3.71Å; W114-Y136 VanDerWaalsContact CE3-CB 3.42Å; W114-Y136 HydrophobicContact CE3-CD1 4.5Å; W114-Y136 HydrophobicContact CE3-CD2 4.44Å; W114-Y136 AromaticContact CE3-CG 3.94Å; W114-Y136 HydrophobicContact CE3-CG 3.94Å; W114-Y136 AromaticContact CH2-CD1 3.54Å; W114-Y136 HydrophobicContact CH2-CD1 3.54Å; W114-Y136 AromaticContact CH2-CD2 3.72Å; W114-Y136 HydrophobicContact CH2-CD2 3.72Å; W114-Y136 AromaticContact CH2-CE1 3.81Å; W114-Y136 HydrophobicContact CH2-CE1 3.81Å; W114-Y136 HydrophobicContact CH2-CE2 4.03Å; W114-Y136 AromaticContact CH2-CG 3.48Å; W114-Y136 HydrophobicContact CH2-CG 3.48Å; W114-Y136 VanDerWaalsContact CH2-CG 3.48Å; W114-Y136 HydrophobicContact CZ2-CD1 4.17Å; W114-Y136 AromaticContact CZ2-CD2 3.45Å; W114-Y136 HydrophobicContact CZ2-CD2 3.45Å; W114-Y136 VanDerWaalsContact CZ2-CD2 3.45Å; W114-Y136 HydrophobicContact CZ2-CE1 4.33Å; W114-Y136 AromaticContact CZ2-CE2 3.7Å; W114-Y136 HydrophobicContact CZ2-CE2 3.7Å; W114-Y136 AromaticContact CZ2-CG 3.72Å; W114-Y136 HydrophobicContact CZ2-CG 3.72Å; W114-Y136 AromaticContact CZ3-CD1 3.74Å; W114-Y136 HydrophobicContact CZ3-CD1 3.74Å; W114-Y136 HydrophobicContact CZ3-CD2 4.21Å; W114-Y136 HydrophobicContact CZ3-CE1 4.43Å; W114-Y136 AromaticContact CZ3-CG 3.6Å; W114-Y136 HydrophobicContact CZ3-CG 3.6Å
115R66.3Low67.8Low9 Ų948.9 Ų48.93%0.03422%0.222CC..EExtended strand (participates in β ladder)trans-123.1143.1-179.9-70.7-174.6165.8-158.9-5.8113.9R93 G97 L99 G119 Y136 E137 H138R93-R115 HydrophobicContact CB-CG 3.88Å; R93-R115 VanDerWaalsContact O-CA 3.31Å; R93-R115 WeakPolarHBondContact O-CA 3.27Å; G97-R115 PolarHBondContact O-NH1 2.8Å; G97-R115 PolarHBondContact O-NH2 2.79Å; L99-R115 VanDerWaalsContact CB-NH2 3.32Å; R115-G119 PolarHBondContact NH1-O 3.02Å; R115-Y136 PolarHBondContact N-O 3.13Å; R115-Y136 VanDerWaalsContact N-O 3.15Å; R115-E137 HydrophobicContact CB-CG 4.1Å; R115-H138 WeakPolarHBondContact O-CB 3.48Å; R115-H138 PolarHBondContact O-N 3.38Å
116R59.2Low67.5Low187 Ų18745.2 Ų45.271%0.70622%0.215SC*.SBendtrans-92.9-31.9171.4-77.2-166.6177-169.20.3114.3R93R93-R116 PolarHBondContact O-N 3.3Å
117Q58.1Low67.3Low90 Ų9053.6 Ų53.642%0.42125%0.246SC..SBendtrans-150.4174.3-172.5-73.4-168.8-3200114.3
118Y55.1Low67Low107 Ų10749.4 Ų49.442%0.4222%0.224SC..  trans-63.1128.2-148.1-53.4-87.4000119.1N96 G97N96-Y118 WeakPolarHBondContact CA-O 3.01Å; N96-Y118 WeakPolarHBondContact CB-O 3.27Å; N96-Y118 PolarHBondContact OD1-N 2.79Å; N96-Y118 VanDerWaalsContact OD1-N 3.11Å; N96-Y118 PolarHBondContact OD1-O 2.74Å; G97-Y118 PolarHBondContact N-O 2.77Å
119G63Low66.8Low5 Ų553.6 Ų53.65%0.05225%0.246CC..  trans166.9140.9162.300000111.1R115 N140R115-G119 PolarHBondContact NH1-O 3.02Å; G119-N140 VanDerWaalsContact C-OD1 3.27Å; G119-N140 PolarHBondContact O-OD1 3.11Å
120D70.9Confident66.8Low56 Ų5657.6 Ų57.630%0.29927%0.267SS..  trans-65.3145.8-172.9-52.4-42.6000111.9H98 L99 R141 G142H98-D120 VanDerWaalsContact CA-O 3.31Å; H98-D120 WeakPolarHBondContact CA-O 3Å; H98-D120 IonicContact CE1-OD2 3.49Å; H98-D120 PolarHBondContact CE1-OD2 3.45Å; H98-D120 WeakPolarHBondContact ND1-CB 3.3Å; H98-D120 PolarHBondContact ND1-N 2.87Å; H98-D120 IonicContact ND1-OD2 2.66Å; H98-D120 PolarHBondContact ND1-OD2 2.96Å; L99-D120 PolarHBondContact N-O 2.92Å; D120-R141 WeakPolarHBondContact OD1-CB 3.43Å; D120-G142 VanDerWaalsContact CA-O 3.29Å; D120-G142 WeakPolarHBondContact CA-O 3.41Å; D120-G142 PolarHBondContact OD1-N 2.82Å; D120-G142 VanDerWaalsContact OD1-N 3.08Å
121V69.9Low66.7Low1 Ų155.5 Ų55.51%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-109.1123.5173.11750000107.7L99 M113 I123 E137 G142 T144L99-V121 HydrophobicContact CB-CG2 4.5Å; L99-V121 HydrophobicContact CD2-CG1 4.4Å; M113-V121 HydrophobicContact CE-CG1 3.54Å; M113-V121 HydrophobicContact SD-CG1 3.57Å; M113-V121 VanDerWaalsContact SD-CG1 3.57Å; M113-V121 HydrophobicContact SD-CG2 4.32Å; V121-I123 HydrophobicContact CG1-CD1 4.34Å; V121-I123 HydrophobicContact CG1-CG1 4.15Å; V121-E137 WeakPolarHBondContact CG2-OE1 3.31Å; V121-G142 PolarHBondContact N-O 3.06Å; V121-G142 VanDerWaalsContact N-O 3.09Å; V121-T144 PolarHBondContact O-N 2.8Å
122M72.4Confident66.9Low93 Ų9361.5 Ų61.546%0.45828%0.277SS..EExtended strand (participates in β ladder)trans-117.8120171.1-168.9176.9-71.400109.3L99 M100 I101 T144L99-M122 PolarHBondContact O-N 3.32Å; M100-M122 WeakPolarHBondContact CA-O 3.2Å; M100-M122 HydrophobicContact CG-CB 4.16Å; I101-M122 PolarHBondContact N-O 2.98Å; M122-T144 CarbonylContact C-O 3.59Å; M122-T144 VanDerWaalsContact CA-O 3.27Å; M122-T144 WeakPolarHBondContact CA-O 3.29Å
123I73.2Confident66.9Low1 Ų159 Ų591%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-112.7125170.8-64.1169.4000107.1I101 F109 A111 M113 V121 M125 T133 I135 T144 M145 S146I101-I123 HydrophobicContact CB-CG1 4.3Å; I101-I123 WeakPolarHBondContact O-CA 3.14Å; F109-I123 HydrophobicContact CE1-CD1 4.34Å; F109-I123 HydrophobicContact CE1-CG2 3.76Å; F109-I123 HydrophobicContact CZ-CG2 4.26Å; A111-I123 HydrophobicContact CB-CD1 4.02Å; M113-I123 HydrophobicContact CE-CD1 3.55Å; M113-I123 HydrophobicContact SD-CD1 4.39Å; V121-I123 HydrophobicContact CG1-CD1 4.34Å; V121-I123 HydrophobicContact CG1-CG1 4.15Å; I123-M125 HydrophobicContact CG2-CG 4.41Å; I123-T133 HydrophobicContact CD1-CG2 3.69Å; I123-I135 HydrophobicContact CD1-CD1 4.37Å; I123-T144 PolarHBondContact N-O 3.14Å; I123-M145 HydrophobicContact CB-CG 4.13Å; I123-M145 HydrophobicContact CG2-CG 4.28Å; I123-M145 CarbonylContact O-C 3.54Å; I123-M145 WeakPolarHBondContact O-CA 3.25Å; I123-S146 PolarHBondContact O-N 3Å
124S75.9Confident66.9Low42 Ų4261.2 Ų61.229%0.29428%0.276SS..EExtended strand (participates in β ladder)trans-125.5126.1176.3-176.80000110.4I101 S102 M103 S146I101-S124 PolarHBondContact O-N 2.85Å; S102-S124 WeakPolarHBondContact CA-O 3.23Å; M103-S124 PolarHBondContact N-O 3.09Å; S124-S146 CarbonylContact C-O 3.51Å; S124-S146 WeakPolarHBondContact CA-O 3.33Å
125M70.5Confident66.9Low1 Ų156.5 Ų56.51%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-133.2141176.3-66.3-172.257.700110.5M103 F109 I123 D131 S146 V147 Q148M103-M125 HydrophobicContact CB-CG 4.21Å; M103-M125 VanDerWaalsContact O-CA 3.31Å; M103-M125 WeakPolarHBondContact O-CA 3.31Å; F109-M125 HydrophobicContact CB-CE 3.38Å; F109-M125 HydrophobicContact CB-SD 3.33Å; F109-M125 WeakPolarHBondContact CB-SD 3.39Å; F109-M125 HydrophobicContact CD1-SD 3.3Å; F109-M125 WeakPolarHBondContact CD1-SD 3.29Å; F109-M125 HydrophobicContact CD2-SD 4.43Å; F109-M125 HydrophobicContact CE1-SD 4.14Å; F109-M125 HydrophobicContact CG-CE 4.15Å; F109-M125 HydrophobicContact CG-SD 3.45Å; F109-M125 WeakPolarHBondContact CG-SD 3.36Å; I123-M125 HydrophobicContact CG2-CG 4.41Å; M125-D131 VanDerWaalsContact CE-CG 3.45Å; M125-D131 WeakPolarHBondContact CE-OD1 3.46Å; M125-D131 WeakPolarHBondContact CE-OD2 3.45Å; M125-S146 PolarHBondContact N-O 3.25Å; M125-V147 HydrophobicContact CB-CB 4.39Å; M125-V147 HydrophobicContact CB-CG1 4.08Å; M125-V147 HydrophobicContact CB-CG2 4.23Å; M125-V147 CarbonylContact O-C 3.55Å; M125-V147 WeakPolarHBondContact O-CA 3.3Å; M125-Q148 PolarHBondContact O-N 3.01Å
126T67.2Low66.8Low63 Ų6358 Ų5839%0.38726%0.264SS..SBendtrans-112.9-12.9-176-42.50000113.9M103 P104 Q148M103-T126 PolarHBondContact O-N 3.08Å; P104-T126 VanDerWaalsContact O-CB 3.32Å; P104-T126 WeakPolarHBondContact O-CB 3.25Å; T126-Q148 CarbonylContact C-O 3.58Å
127R64.5Low67.1Low176 Ų17649.4 Ų49.466%0.66423%0.232SC*.  trans-165.5136.8174.8-151.3168.4178.7152.4-1.9107.9C106 Q148C106-R127 PolarHBondContact N-O 3.03Å; C106-R127 CarbonylContact O-C 3.58Å; C106-R127 VanDerWaalsContact O-C 3.28Å; R127-Q148 WeakPolarHBondContact CA-O 3.17Å; R127-Q148 PolarHBondContact N-O 2.84Å
128G64.7Low67Low0 Ų049.1 Ų49.10%023%0.23CC..EExtended strand (participates in β ladder)trans-172.4133.1175.200000108.9C106 D107 G149 C150C106-G128 WeakPolarHBondContact O-CA 3.33Å; C106-G128 PolarHBondContact O-N 2.86Å; D107-G128 CarbonylContact O-C 3.58Å; G128-G149 PolarHBondContact N-O 2.7Å; G128-C150 WeakPolarHBondContact O-CA 3.48Å; G128-C150 WeakPolarHBondContact O-CB 3.46Å
129D66.7Low67.2Low90 Ų9044.4 Ų44.448%0.48121%0.213SC..EExtended strand (participates in β ladder)trans-74.6-45.8177.1-69.2-22.4000109.4D107 V151 H152D107-D129 PolarHBondContact O-N 2.79Å; D129-V151 HydrophobicContact CB-CG2 4.4Å; D129-V151 WeakPolarHBondContact O-CB 3.45Å; D129-V151 PolarHBondContact O-N 2.93Å; D129-H152 PolarHBondContact O-N 2.86Å
130D68.5Low67.1Low86 Ų8644.3 Ų44.346%0.4621%0.211SC..EExtended strand (participates in β ladder)trans-130.4108.5-179.1-79.4-36.1000112.9D107 G108 F109 H152D107-D130 PolarHBondContact O-N 2.82Å; G108-D130 VanDerWaalsContact CA-O 3.27Å; G108-D130 WeakPolarHBondContact CA-O 3.45Å; F109-D130 PolarHBondContact N-O 2.77Å; D130-H152 WeakPolarHBondContact OD1-CB 3.2Å
131D69.1Low66.8Low2 Ų250.3 Ų50.31%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-114124.2-177.9-68.3-28.7000111.9F109 M125 V147 H152 V153 T154F109-D131 PolarHBondContact N-OD1 3.16Å; M125-D131 VanDerWaalsContact CE-CG 3.45Å; M125-D131 WeakPolarHBondContact CE-OD1 3.46Å; M125-D131 WeakPolarHBondContact CE-OD2 3.45Å; D131-V147 WeakPolarHBondContact OD2-CG1 3.33Å; D131-H152 PolarHBondContact N-O 3.13Å; D131-V153 HydrophobicContact CB-CG2 3.72Å; D131-V153 CarbonylContact O-C 3.58Å; D131-V153 WeakPolarHBondContact O-CA 3.38Å; D131-T154 PolarHBondContact O-N 2.84Å
132R71.7Confident66.9Low126 Ų12650.6 Ų50.648%0.47523%0.233SC..EExtended strand (participates in β ladder)trans-121.3107.7177.1-70.3-165.1168.386.15.4111.7F109 T110 A111 T154F109-R132 PolarHBondContact O-N 3.44Å; T110-R132 CarbonylContact C-O 3.54Å; T110-R132 WeakPolarHBondContact CA-O 3.35Å; A111-R132 PolarHBondContact N-O 2.98Å; R132-T154 CarbonylContact C-O 3.58Å; R132-T154 WeakPolarHBondContact CA-O 3.3Å
133T67.1Low66.9Low2 Ų246.2 Ų46.21%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-110.4119.7176-66.20000110.4A111 I123 I135 M145 T154 T155 Q156A111-T133 HydrophobicContact CB-CG2 4.1Å; I123-T133 HydrophobicContact CD1-CG2 3.69Å; T133-I135 HydrophobicContact CG2-CD1 3.65Å; T133-I135 HydrophobicContact CG2-CG1 3.62Å; T133-M145 HydrophobicContact CG2-SD 3.99Å; T133-T154 PolarHBondContact N-O 2.88Å; T133-T155 HydrophobicContact CG2-CG2 4.43Å; T133-T155 CarbonylContact O-C 3.57Å; T133-T155 VanDerWaalsContact O-CA 3.32Å; T133-T155 WeakPolarHBondContact O-CA 3.25Å; T133-Q156 PolarHBondContact O-N 2.98Å
134Q66.4Low67.1Low48 Ų4848.6 Ų48.622%0.22423%0.226CC..EExtended strand (participates in β ladder)trans-115.3122.4172-64.7-172.959.600110.9A111 E112 M113 Y136 Q156A111-Q134 WeakPolarHBondContact O-CA 3.38Å; A111-Q134 PolarHBondContact O-N 2.03Å; A111-Q134 VanDerWaalsContact O-O 3.04Å; E112-Q134 VanDerWaalsContact CA-O 3.3Å; E112-Q134 WeakPolarHBondContact CA-O 3.45Å; E112-Q134 HydrophobicContact CG-CB 4.34Å; E112-Q134 PolarHBondContact OE1-NE2 2.87Å; M113-Q134 PolarHBondContact N-O 2.9Å; Q134-Y136 HydrophobicContact CB-CD2 4.38Å; Q134-Y136 HydrophobicContact CB-CE2 3.83Å; Q134-Y136 PolarHBondContact OE1-OH 3.37Å; Q134-Q156 CarbonylContact C-O 3.54Å; Q134-Q156 WeakPolarHBondContact CA-O 3.44Å; Q134-Q156 HydrophobicContact CG-CB 4.28Å
135I65.1Low67Low1 Ų146.7 Ų46.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-124.8115.3-175.5-50.5-171.9000107.5M113 I123 T133 E137 V143 Q156 V157 R158M113-I135 HydrophobicContact CE-CB 4.19Å; M113-I135 HydrophobicContact CE-CD1 3.33Å; M113-I135 HydrophobicContact CE-CG1 3.33Å; M113-I135 HydrophobicContact CE-CG2 4.09Å; I123-I135 HydrophobicContact CD1-CD1 4.37Å; T133-I135 HydrophobicContact CG2-CD1 3.65Å; T133-I135 HydrophobicContact CG2-CG1 3.62Å; I135-E137 HydrophobicContact CG2-CG 3.68Å; I135-V143 HydrophobicContact CD1-CG1 3.47Å; I135-V143 VanDerWaalsContact CD1-CG1 3.47Å; I135-V143 HydrophobicContact CG2-CG2 4.25Å; I135-Q156 PolarHBondContact N-O 2.88Å; I135-V157 HydrophobicContact CB-CG1 4.19Å; I135-V157 HydrophobicContact CB-CG2 4.4Å; I135-V157 HydrophobicContact CD1-CG2 4.41Å; I135-V157 HydrophobicContact CG2-CG1 4.33Å; I135-V157 CarbonylContact O-C 3.52Å; I135-V157 WeakPolarHBondContact O-CA 3.41Å; I135-R158 PolarHBondContact O-N 2.79Å
136Y63.9Low67.5Low41 Ų4148.5 Ų48.516%0.16123%0.225CC..EExtended strand (participates in β ladder)trans-117.6103.3177.5-67.1-93.5000108.9M113 W114 R115 Q134 R158M113-Y136 CarbonylContact O-C 3.57Å; M113-Y136 WeakPolarHBondContact O-CA 3.3Å; M113-Y136 PolarHBondContact O-N 3.41Å; M113-Y136 VanDerWaalsContact O-O 3.07Å; W114-Y136 VanDerWaalsContact CA-O 3.3Å; W114-Y136 WeakPolarHBondContact CA-O 3.29Å; W114-Y136 HydrophobicContact CD2-CD2 4.23Å; W114-Y136 HydrophobicContact CD2-CG 4.17Å; W114-Y136 AromaticContact CE2-CD2 3.71Å; W114-Y136 VanDerWaalsContact CE3-CB 3.42Å; W114-Y136 HydrophobicContact CE3-CD1 4.5Å; W114-Y136 HydrophobicContact CE3-CD2 4.44Å; W114-Y136 AromaticContact CE3-CG 3.94Å; W114-Y136 HydrophobicContact CE3-CG 3.94Å; W114-Y136 AromaticContact CH2-CD1 3.54Å; W114-Y136 HydrophobicContact CH2-CD1 3.54Å; W114-Y136 AromaticContact CH2-CD2 3.72Å; W114-Y136 HydrophobicContact CH2-CD2 3.72Å; W114-Y136 AromaticContact CH2-CE1 3.81Å; W114-Y136 HydrophobicContact CH2-CE1 3.81Å; W114-Y136 HydrophobicContact CH2-CE2 4.03Å; W114-Y136 AromaticContact CH2-CG 3.48Å; W114-Y136 HydrophobicContact CH2-CG 3.48Å; W114-Y136 VanDerWaalsContact CH2-CG 3.48Å; W114-Y136 HydrophobicContact CZ2-CD1 4.17Å; W114-Y136 AromaticContact CZ2-CD2 3.45Å; W114-Y136 HydrophobicContact CZ2-CD2 3.45Å; W114-Y136 VanDerWaalsContact CZ2-CD2 3.45Å; W114-Y136 HydrophobicContact CZ2-CE1 4.33Å; W114-Y136 AromaticContact CZ2-CE2 3.7Å; W114-Y136 HydrophobicContact CZ2-CE2 3.7Å; W114-Y136 AromaticContact CZ2-CG 3.72Å; W114-Y136 HydrophobicContact CZ2-CG 3.72Å; W114-Y136 AromaticContact CZ3-CD1 3.74Å; W114-Y136 HydrophobicContact CZ3-CD1 3.74Å; W114-Y136 HydrophobicContact CZ3-CD2 4.21Å; W114-Y136 HydrophobicContact CZ3-CE1 4.43Å; W114-Y136 AromaticContact CZ3-CG 3.6Å; W114-Y136 HydrophobicContact CZ3-CG 3.6Å; R115-Y136 PolarHBondContact N-O 3.13Å; R115-Y136 VanDerWaalsContact N-O 3.15Å; Q134-Y136 HydrophobicContact CB-CD2 4.38Å; Q134-Y136 HydrophobicContact CB-CE2 3.83Å; Q134-Y136 PolarHBondContact OE1-OH 3.37Å; Y136-R158 HydrophobicContact CD1-CB 4.03Å; Y136-R158 HydrophobicContact CD1-CG 4.27Å; Y136-R158 HydrophobicContact CE1-CB 4.46Å; Y136-R158 HydrophobicContact CE1-CG 4.2Å; Y136-R158 PolarHBondContact OH-NH1 3.42Å
137E64.6Low67.8Low6 Ų645.5 Ų45.53%0.02821%0.207CC..EExtended strand (participates in β ladder)trans-128.2137-175.3-61.6-175.1139.500112.3R115 V121 I135 N140 R158 L159 R160R115-E137 HydrophobicContact CB-CG 4.1Å; V121-E137 WeakPolarHBondContact CG2-OE1 3.31Å; I135-E137 HydrophobicContact CG2-CG 3.68Å; E137-N140 PolarHBondContact OE1-ND2 2.85Å; E137-N140 WeakPolarHBondContact OE2-CB 3.47Å; E137-N140 VanDerWaalsContact OE2-CG 3.31Å; E137-N140 PolarHBondContact OE2-ND2 3.13Å; E137-R158 PolarHBondContact N-O 2.85Å; E137-L159 HydrophobicContact CB-CD2 3.72Å; E137-L159 HydrophobicContact CG-CD2 4.4Å; E137-L159 CarbonylContact O-C 3.49Å; E137-L159 WeakPolarHBondContact O-CA 3.4Å; E137-R160 PolarHBondContact O-N 3.01Å
138H57.3Low68.2Low84 Ų8441 Ų4139%0.38919%0.193SC..SBendtrans-81.3-30.5179.4-140.2-79.3000111.8R115 R160 Q161R115-H138 WeakPolarHBondContact O-CB 3.48Å; R115-H138 PolarHBondContact O-N 3.38Å; H138-R160 WeakPolarHBondContact NE2-CD 3.08Å; H138-R160 WeakPolarHBondContact O-CB 3.44Å; H138-Q161 WeakPolarHBondContact O-CB 3.45Å; H138-Q161 PolarHBondContact O-N 2.84Å; H138-Q161 VanDerWaalsContact O-N 3.15Å
139S57.6Low68.6Low8 Ų842.3 Ų42.36%0.05621%0.207CC..SBendtrans-167.7126.5174.5-1510000109.6Q161S139-Q161 WeakPolarHBondContact OG-CB 3.38Å
140N62.5Low68.8Low3 Ų338.3 Ų38.32%0.01619%0.186CC..  trans-142.1147.6178.9-174.7-3.7000111.2G119 E137 G142 C162 G163G119-N140 VanDerWaalsContact C-OD1 3.27Å; G119-N140 PolarHBondContact O-OD1 3.11Å; E137-N140 PolarHBondContact OE1-ND2 2.85Å; E137-N140 WeakPolarHBondContact OE2-CB 3.47Å; E137-N140 VanDerWaalsContact OE2-CG 3.31Å; E137-N140 PolarHBondContact OE2-ND2 3.13Å; N140-G142 PolarHBondContact ND2-O 2.83Å; N140-G142 PolarHBondContact OD1-N 3.29Å; N140-G142 PolarHBondContact OD1-O 2.76Å; N140-C162 CarbonylContact C-O 3.53Å; N140-C162 CarbonylContact O-C 3.23Å; N140-G163 WeakPolarHBondContact O-CA 3.32Å
141R64.5Low69.2Low182 Ų18237.4 Ų37.469%0.68718%0.184SC*.SBendtrans-67.6-35.7169.7-78.6-174.7175.8177.2-2113D120 G163 D164D120-R141 WeakPolarHBondContact OD1-CB 3.43Å; R141-G163 CarbonylContact O-C 3.59Å; R141-G163 VanDerWaalsContact O-CA 3.27Å; R141-G163 WeakPolarHBondContact O-CA 3.31Å; R141-D164 PolarHBondContact O-N 2.95Å
142G70.7Confident69.6Low7 Ų739.5 Ų39.57%0.07219%0.193CC..EExtended strand (participates in β ladder)trans-179.8159.7173.200000115.7D120 V121 N140 D164D120-G142 VanDerWaalsContact CA-O 3.29Å; D120-G142 WeakPolarHBondContact CA-O 3.41Å; D120-G142 PolarHBondContact OD1-N 2.82Å; D120-G142 VanDerWaalsContact OD1-N 3.08Å; V121-G142 PolarHBondContact N-O 3.06Å; V121-G142 VanDerWaalsContact N-O 3.09Å; N140-G142 PolarHBondContact ND2-O 2.83Å; N140-G142 PolarHBondContact OD1-N 3.29Å; N140-G142 PolarHBondContact OD1-O 2.76Å; G142-D164 CarbonylContact C-O 3.5Å; G142-D164 WeakPolarHBondContact CA-O 3.44Å
143V72.5Confident69.7Low2 Ų233.5 Ų33.51%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-119.6123.1175.7175.50000107.6I135 D164 V165 T166I135-V143 HydrophobicContact CD1-CG1 3.47Å; I135-V143 VanDerWaalsContact CD1-CG1 3.47Å; I135-V143 HydrophobicContact CG2-CG2 4.25Å; V143-D164 PolarHBondContact N-O 3.38Å; V143-V165 HydrophobicContact CB-CG2 4.41Å; V143-V165 CarbonylContact O-C 3.54Å; V143-V165 WeakPolarHBondContact O-CA 3.36Å; V143-T166 PolarHBondContact O-N 2.76Å
144T78Confident70.3Confident50 Ų5034.7 Ų34.731%0.30718%0.178SC..EExtended strand (participates in β ladder)trans-116125170.9-590000109.1V121 M122 I123 T166V121-T144 PolarHBondContact O-N 2.8Å; M122-T144 CarbonylContact C-O 3.59Å; M122-T144 VanDerWaalsContact CA-O 3.27Å; M122-T144 WeakPolarHBondContact CA-O 3.29Å; I123-T144 PolarHBondContact N-O 3.14Å; T144-T166 CarbonylContact C-O 3.58Å; T144-T166 VanDerWaalsContact CA-O 3.3Å; T144-T166 WeakPolarHBondContact CA-O 3.22Å
145M74.9Confident70.6Confident2 Ų232.5 Ų32.51%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-125.3130.2174-168.1-178.57200109.3I123 T133 V147 V153 T155 T166 I167 S168 L169I123-M145 HydrophobicContact CB-CG 4.13Å; I123-M145 HydrophobicContact CG2-CG 4.28Å; I123-M145 CarbonylContact O-C 3.54Å; I123-M145 WeakPolarHBondContact O-CA 3.25Å; T133-M145 HydrophobicContact CG2-SD 3.99Å; M145-V147 HydrophobicContact CE-CG2 4.34Å; M145-V147 HydrophobicContact CG-CG2 4.18Å; M145-V147 HydrophobicContact SD-CG2 4.36Å; M145-V153 HydrophobicContact CE-CG1 4.17Å; M145-T155 HydrophobicContact CE-CG2 3.88Å; M145-T155 WeakPolarHBondContact CE-OG1 2.96Å; M145-T155 HydrophobicContact SD-CG2 4.01Å; M145-T166 PolarHBondContact N-O 3.2Å; M145-I167 HydrophobicContact CB-CG1 4.44Å; M145-I167 HydrophobicContact CE-CG1 4.31Å; M145-I167 HydrophobicContact CE-CG2 3.71Å; M145-I167 CarbonylContact O-C 3.56Å; M145-I167 WeakPolarHBondContact O-CA 3.41Å; M145-S168 PolarHBondContact O-N 2.73Å; M145-L169 HydrophobicContact CE-CD2 3.89Å
146S80.6Confident71.1Confident39 Ų3934.4 Ų34.427%0.27318%0.177SC..EExtended strand (participates in β ladder)trans-128.6116.5172.7-178.30000109.3I123 S124 M125 S168I123-S146 PolarHBondContact O-N 3Å; S124-S146 CarbonylContact C-O 3.51Å; S124-S146 WeakPolarHBondContact CA-O 3.33Å; M125-S146 PolarHBondContact N-O 3.25Å; S146-S168 VanDerWaalsContact CA-O 3.25Å; S146-S168 WeakPolarHBondContact CA-O 3.39Å
147V72.7Confident71.4Confident1 Ų132.7 Ų32.71%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-122.2121.5174.2-176.80000108M125 D131 M145 C150 V153 S168 L169 P170M125-V147 HydrophobicContact CB-CB 4.39Å; M125-V147 HydrophobicContact CB-CG1 4.08Å; M125-V147 HydrophobicContact CB-CG2 4.23Å; M125-V147 CarbonylContact O-C 3.55Å; M125-V147 WeakPolarHBondContact O-CA 3.3Å; D131-V147 WeakPolarHBondContact OD2-CG1 3.33Å; M145-V147 HydrophobicContact CE-CG2 4.34Å; M145-V147 HydrophobicContact CG-CG2 4.18Å; M145-V147 HydrophobicContact SD-CG2 4.36Å; V147-C150 HydrophobicContact CG1-CB 3.98Å; V147-V153 HydrophobicContact CB-CG2 4.13Å; V147-V153 HydrophobicContact CG1-CG2 3.88Å; V147-V153 HydrophobicContact CG2-CG2 4.22Å; V147-S168 PolarHBondContact N-O 2.7Å; V147-L169 HydrophobicContact CB-CD2 3.54Å; V147-L169 HydrophobicContact CG2-CD2 3.81Å; V147-L169 VanDerWaalsContact O-CA 3.28Å; V147-L169 WeakPolarHBondContact O-CA 3.42Å; V147-P170 VanDerWaalsContact O-CD 3.25Å; V147-P170 WeakPolarHBondContact O-CD 3.38Å
148Q74.4Confident71.8Confident80 Ų8036.4 Ų36.437%0.37418%0.184SC..  trans-108.7136.5178.2-177.8178000109.9M125 T126 R127 P170M125-Q148 PolarHBondContact O-N 3.01Å; T126-Q148 CarbonylContact C-O 3.58Å; R127-Q148 WeakPolarHBondContact CA-O 3.17Å; R127-Q148 PolarHBondContact N-O 2.84Å; Q148-P170 WeakPolarHBondContact CA-O 3.29Å; Q148-P170 HydrophobicContact CB-CG 4.05Å; Q148-P170 HydrophobicContact CG-CG 4.09Å
149G71.4Confident72.3Confident28 Ų2832.7 Ų32.729%0.28917%0.167SC..SBendtrans66.171.2170.500000113G128 P170 R171G128-G149 PolarHBondContact N-O 2.7Å; G149-P170 PolarHBondContact N-O 2.81Å; G149-P170 VanDerWaalsContact N-O 3.15Å; G149-R171 VanDerWaalsContact CA-O 3.22Å; G149-R171 WeakPolarHBondContact CA-O 3.28Å; G149-R171 PolarHBondContact N-O 3.21Å
150C72.1Confident72.7Confident6 Ų639.2 Ų39.24%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-131.6154-179.275.50000113.9G128 V147 V153 R171 C172 D173G128-C150 WeakPolarHBondContact O-CA 3.48Å; G128-C150 WeakPolarHBondContact O-CB 3.46Å; V147-C150 HydrophobicContact CG1-CB 3.98Å; C150-V153 HydrophobicContact CB-CG2 4.21Å; C150-V153 WeakPolarHBondContact SG-CG2 3.37Å; C150-R171 PolarHBondContact N-O 3Å; C150-C172 HydrophobicContact CB-CB 4.32Å; C150-C172 WeakPolarHBondContact CB-SG 3.39Å; C150-C172 PolarHBondContact N-SG 3.1Å; C150-C172 CarbonylContact O-C 3.52Å; C150-C172 WeakPolarHBondContact O-CA 3.29Å; C150-C172 WeakPolarHBondContact SG-CB 3.36Å; C150-C172 CovalentContact SG-SG 2.03Å; C150-C172 PolarHBondContact SG-SG 3.07Å; C150-D173 PolarHBondContact O-N 2.83Å
151V76.4Confident72.7Confident68 Ų6842.9 Ų42.941%0.41221%0.208SC..EExtended strand (participates in β ladder)trans-83.5-49.9172.9-176.80000108.5D129 D174D129-V151 HydrophobicContact CB-CG2 4.4Å; D129-V151 WeakPolarHBondContact O-CB 3.45Å; D129-V151 PolarHBondContact O-N 2.93Å; V151-D174 PolarHBondContact O-N 2.85Å
152H77.6Confident72.3Confident45 Ų4536.6 Ų36.621%0.20819%0.191CC..EExtended strand (participates in β ladder)trans-136.1129-179.4-161.979000112.5D129 D130 D131 T154 D174D129-H152 PolarHBondContact O-N 2.86Å; D130-H152 WeakPolarHBondContact OD1-CB 3.2Å; D131-H152 PolarHBondContact N-O 3.13Å; H152-T154 PolarHBondContact NE2-OG1 3.21Å; H152-D174 WeakPolarHBondContact CA-O 3.28Å; H152-D174 VanDerWaalsContact ND1-CB 3.34Å; H152-D174 WeakPolarHBondContact ND1-CB 3.27Å; H152-D174 IonicContact ND1-OD2 3.92Å
153V74.1Confident72.1Confident1 Ų136.5 Ų36.51%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-117.4126167.9159.80000110.3D131 M145 V147 C150 T155 L169 D174 A175 T176D131-V153 HydrophobicContact CB-CG2 3.72Å; D131-V153 CarbonylContact O-C 3.58Å; D131-V153 WeakPolarHBondContact O-CA 3.38Å; M145-V153 HydrophobicContact CE-CG1 4.17Å; V147-V153 HydrophobicContact CB-CG2 4.13Å; V147-V153 HydrophobicContact CG1-CG2 3.88Å; V147-V153 HydrophobicContact CG2-CG2 4.22Å; C150-V153 HydrophobicContact CB-CG2 4.21Å; C150-V153 WeakPolarHBondContact SG-CG2 3.37Å; V153-T155 WeakPolarHBondContact CG1-OG1 3.25Å; V153-L169 HydrophobicContact CB-CD1 4.22Å; V153-L169 HydrophobicContact CB-CD2 4.44Å; V153-L169 HydrophobicContact CG1-CD1 3.78Å; V153-L169 HydrophobicContact CG1-CD2 3.99Å; V153-L169 HydrophobicContact CG2-CD2 4.17Å; V153-D174 PolarHBondContact N-O 3.48Å; V153-A175 HydrophobicContact CB-CB 4.49Å; V153-A175 CarbonylContact O-C 3.54Å; V153-A175 WeakPolarHBondContact O-CA 3.41Å; V153-T176 PolarHBondContact O-N 3.13Å
154T78.3Confident72.2Confident26 Ų2640.1 Ų40.116%0.1621%0.21CC..EExtended strand (participates in β ladder)trans-112.3123.4163.7-59.50000109.9D131 R132 T133 H152 T176D131-T154 PolarHBondContact O-N 2.84Å; R132-T154 CarbonylContact C-O 3.58Å; R132-T154 WeakPolarHBondContact CA-O 3.3Å; T133-T154 PolarHBondContact N-O 2.88Å; H152-T154 PolarHBondContact NE2-OG1 3.21Å; T154-T176 CarbonylContact C-O 3.53Å; T154-T176 WeakPolarHBondContact CA-O 3.29Å
155T72.7Confident72Confident2 Ų237.8 Ų37.81%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-121.1127.6174.6-48.90000110.2T133 M145 V153 V157 I167 T176 A177 E178T133-T155 HydrophobicContact CG2-CG2 4.43Å; T133-T155 CarbonylContact O-C 3.57Å; T133-T155 VanDerWaalsContact O-CA 3.32Å; T133-T155 WeakPolarHBondContact O-CA 3.25Å; M145-T155 HydrophobicContact CE-CG2 3.88Å; M145-T155 WeakPolarHBondContact CE-OG1 2.96Å; M145-T155 HydrophobicContact SD-CG2 4.01Å; V153-T155 WeakPolarHBondContact CG1-OG1 3.25Å; T155-V157 HydrophobicContact CG2-CG2 3.83Å; T155-I167 HydrophobicContact CG2-CD1 4.1Å; T155-T176 PolarHBondContact N-O 3.15Å; T155-A177 CarbonylContact O-C 3.52Å; T155-A177 VanDerWaalsContact O-CA 3.27Å; T155-A177 WeakPolarHBondContact O-CA 3Å; T155-E178 PolarHBondContact O-N 2.84Å
156Q75.8Confident72.2Confident42 Ų4240.2 Ų40.220%0.19621%0.21CC..EExtended strand (participates in β ladder)trans-119119.2169.4-60.5-165.5-8.500109.4T133 Q134 I135 E178T133-Q156 PolarHBondContact O-N 2.98Å; Q134-Q156 CarbonylContact C-O 3.54Å; Q134-Q156 WeakPolarHBondContact CA-O 3.44Å; Q134-Q156 HydrophobicContact CG-CB 4.28Å; I135-Q156 PolarHBondContact N-O 2.88Å; Q156-E178 CarbonylContact C-O 3.46Å; Q156-E178 VanDerWaalsContact CA-O 3.3Å; Q156-E178 WeakPolarHBondContact CA-O 3.34Å; Q156-E178 HydrophobicContact CG-CB 4.29Å
157V71.2Confident72.1Confident4 Ų438.4 Ų38.42%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-119.4117.7176-168.80000109.1I135 T155 L159 V165 E178 M179 R180I135-V157 HydrophobicContact CB-CG1 4.19Å; I135-V157 HydrophobicContact CB-CG2 4.4Å; I135-V157 HydrophobicContact CD1-CG2 4.41Å; I135-V157 HydrophobicContact CG2-CG1 4.33Å; I135-V157 CarbonylContact O-C 3.52Å; I135-V157 WeakPolarHBondContact O-CA 3.41Å; T155-V157 HydrophobicContact CG2-CG2 3.83Å; V157-L159 HydrophobicContact CG1-CD1 4.26Å; V157-L159 HydrophobicContact CG1-CD2 3.83Å; V157-L159 HydrophobicContact CG1-CG 3.79Å; V157-V165 HydrophobicContact CG1-CG2 4.32Å; V157-E178 PolarHBondContact N-O 2.84Å; V157-M179 HydrophobicContact CB-CG 4.22Å; V157-M179 CarbonylContact O-C 3.53Å; V157-M179 VanDerWaalsContact O-CA 3.28Å; V157-M179 WeakPolarHBondContact O-CA 3.39Å; V157-R180 PolarHBondContact O-N 2.94Å
158R73.4Confident72.5Confident84 Ų8440.1 Ų40.132%0.31721%0.21SC..EExtended strand (participates in β ladder)trans-115.5105.3174.6-59.5-161.3177.51219.8108.9I135 Y136 E137 R180I135-R158 PolarHBondContact O-N 2.79Å; Y136-R158 HydrophobicContact CD1-CB 4.03Å; Y136-R158 HydrophobicContact CD1-CG 4.27Å; Y136-R158 HydrophobicContact CE1-CB 4.46Å; Y136-R158 HydrophobicContact CE1-CG 4.2Å; Y136-R158 PolarHBondContact OH-NH1 3.42Å; E137-R158 PolarHBondContact N-O 2.85Å; R158-R180 WeakPolarHBondContact CA-O 3.46Å; R158-R180 HydrophobicContact CG-CB 4.21Å
159L67.1Low72.7Confident7 Ų736.4 Ų36.44%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-108.5123.9178.8-56.1-179.7000110.1E137 V157 V165 R180 R181 L182E137-L159 HydrophobicContact CB-CD2 3.72Å; E137-L159 HydrophobicContact CG-CD2 4.4Å; E137-L159 CarbonylContact O-C 3.49Å; E137-L159 WeakPolarHBondContact O-CA 3.4Å; V157-L159 HydrophobicContact CG1-CD1 4.26Å; V157-L159 HydrophobicContact CG1-CD2 3.83Å; V157-L159 HydrophobicContact CG1-CG 3.79Å; L159-V165 HydrophobicContact CD1-CG2 3.79Å; L159-R180 PolarHBondContact N-O 2.74Å; L159-R181 HydrophobicContact CB-CG 4.29Å; L159-L182 PolarHBondContact O-N 2.82Å
160R66.4Low72.8Confident145 Ų14536.5 Ų36.555%0.54719%0.188SC..SBendtrans-79.9-33.8171.8-73.3-152.8-177.1-146.31.7113.8E137 H138 L182E137-R160 PolarHBondContact O-N 3.01Å; H138-R160 WeakPolarHBondContact NE2-CD 3.08Å; H138-R160 WeakPolarHBondContact O-CB 3.44Å; R160-L182 HydrophobicContact CB-CD1 4.07Å; R160-L182 HydrophobicContact CG-CD1 3.77Å; R160-L182 WeakPolarHBondContact O-CB 3.46Å
161Q62.1Low73Confident79 Ų7943.9 Ų43.937%0.36922%0.215SC..SBendtrans-140.6150.4-177.2-66.6-175.4-29.100110.2H138 S139H138-Q161 WeakPolarHBondContact O-CB 3.45Å; H138-Q161 PolarHBondContact O-N 2.84Å; H138-Q161 VanDerWaalsContact O-N 3.15Å; S139-Q161 WeakPolarHBondContact OG-CB 3.38Å
162C56.6Low73Confident50 Ų5040.7 Ų40.734%0.33820%0.196SC..  trans-27.5138.5-165.8-45.80000116.4N140 H184N140-C162 CarbonylContact C-O 3.53Å; N140-C162 CarbonylContact O-C 3.23Å; C162-H184 WeakPolarHBondContact CA-O 3.39Å; C162-H184 HydrophobicContact CB-CB 3.96Å; C162-H184 WeakPolarHBondContact SG-CB 3.38Å; C162-H184 PolarHBondContact SG-CD2 2.89Å
163G65.7Low73Confident6 Ų642 Ų426%0.06220%0.204CC..  trans171.7141168.600000113.9N140 R141 R181 H184N140-G163 WeakPolarHBondContact O-CA 3.32Å; R141-G163 CarbonylContact O-C 3.59Å; R141-G163 VanDerWaalsContact O-CA 3.27Å; R141-G163 WeakPolarHBondContact O-CA 3.31Å; G163-R181 PolarHBondContact O-NH2 2.83Å; G163-H184 PolarHBondContact N-O 2.02Å; G163-H184 VanDerWaalsContact N-O 3.12Å
164D75.2Confident73.2Confident78 Ų7844.3 Ų44.342%0.41722%0.217SC..EExtended strand (participates in β ladder)trans-74.5143.2-175.4-60.7-28.6000112.2R141 G142 V143 G185 D186R141-D164 PolarHBondContact O-N 2.95Å; G142-D164 CarbonylContact C-O 3.5Å; G142-D164 WeakPolarHBondContact CA-O 3.44Å; V143-D164 PolarHBondContact N-O 3.38Å; D164-G185 WeakPolarHBondContact OD1-CA 3.24Å; D164-D186 CarbonylContact C-O 3.55Å; D164-D186 VanDerWaalsContact CA-O 3.31Å; D164-D186 WeakPolarHBondContact CA-O 3.46Å; D164-D186 PolarHBondContact OD1-N 2.86Å
165V72.9Confident73Confident1 Ų143.2 Ų43.21%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-119.4116.9177.7179.30000108.8V143 V157 L159 I167 M179 D186 V187 V188V143-V165 HydrophobicContact CB-CG2 4.41Å; V143-V165 CarbonylContact O-C 3.54Å; V143-V165 WeakPolarHBondContact O-CA 3.36Å; V157-V165 HydrophobicContact CG1-CG2 4.32Å; L159-V165 HydrophobicContact CD1-CG2 3.79Å; V165-I167 HydrophobicContact CG1-CD1 4Å; V165-I167 HydrophobicContact CG1-CG1 3.99Å; V165-M179 HydrophobicContact CG1-SD 4.22Å; V165-D186 PolarHBondContact N-O 2.95Å; V165-V187 HydrophobicContact CB-CG1 4.44Å; V165-V187 HydrophobicContact CB-CG2 4.43Å; V165-V187 CarbonylContact O-C 3.56Å; V165-V187 VanDerWaalsContact O-CA 3.27Å; V165-V187 WeakPolarHBondContact O-CA 3.48Å; V165-V188 PolarHBondContact O-N 3.19Å
166T79.7Confident73.3Confident52 Ų5244.9 Ų44.932%0.31922%0.22SC..EExtended strand (participates in β ladder)trans-113.2121172.5-60.30000109.5V143 T144 M145 V188V143-T166 PolarHBondContact O-N 2.76Å; T144-T166 CarbonylContact C-O 3.58Å; T144-T166 VanDerWaalsContact CA-O 3.3Å; T144-T166 WeakPolarHBondContact CA-O 3.22Å; M145-T166 PolarHBondContact N-O 3.2Å; T166-V188 CarbonylContact C-O 3.56Å; T166-V188 VanDerWaalsContact CA-O 3.29Å; T166-V188 WeakPolarHBondContact CA-O 3.11Å; T166-V188 HydrophobicContact CG2-CB 4.37Å
167I77.7Confident73.1Confident1 Ų143 Ų431%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-120.8121.1176-64.4169.7000108.1M145 T155 V165 L169 A177 V188 I189 S190M145-I167 HydrophobicContact CB-CG1 4.44Å; M145-I167 HydrophobicContact CE-CG1 4.31Å; M145-I167 HydrophobicContact CE-CG2 3.71Å; M145-I167 CarbonylContact O-C 3.56Å; M145-I167 WeakPolarHBondContact O-CA 3.41Å; T155-I167 HydrophobicContact CG2-CD1 4.1Å; V165-I167 HydrophobicContact CG1-CD1 4Å; V165-I167 HydrophobicContact CG1-CG1 3.99Å; I167-L169 HydrophobicContact CG2-CD1 3.82Å; I167-L169 HydrophobicContact CG2-CD2 4.08Å; I167-L169 HydrophobicContact CG2-CG 3.7Å; I167-A177 HydrophobicContact CD1-CB 4.31Å; I167-V188 PolarHBondContact N-O 3.42Å; I167-I189 HydrophobicContact CB-CG2 4.21Å; I167-I189 HydrophobicContact CG2-CG2 4.27Å; I167-I189 CarbonylContact O-C 3.58Å; I167-I189 VanDerWaalsContact O-CA 3.31Å; I167-I189 WeakPolarHBondContact O-CA 3.49Å; I167-S190 PolarHBondContact O-N 3.07Å
168S82.3Confident73.3Confident38 Ų3845.1 Ų45.127%0.26622%0.221SC..EExtended strand (participates in β ladder)trans-122.5113.1177.7176.20000109.4M145 S146 V147 P170 S190M145-S168 PolarHBondContact O-N 2.73Å; S146-S168 VanDerWaalsContact CA-O 3.25Å; S146-S168 WeakPolarHBondContact CA-O 3.39Å; V147-S168 PolarHBondContact N-O 2.7Å; S168-P170 VanDerWaalsContact O-CD 3.28Å; S168-P170 WeakPolarHBondContact O-CD 3.48Å; S168-S190 WeakPolarHBondContact CA-O 3.31Å
169L79Confident73.2Confident2 Ų241.4 Ų41.41%0.0121%0.208CC..  trans-121.271-177.3-51170.6000110.7M145 V147 V153 I167 R171 C172 A175 S190 M191M145-L169 HydrophobicContact CE-CD2 3.89Å; V147-L169 HydrophobicContact CB-CD2 3.54Å; V147-L169 HydrophobicContact CG2-CD2 3.81Å; V147-L169 VanDerWaalsContact O-CA 3.28Å; V147-L169 WeakPolarHBondContact O-CA 3.42Å; V153-L169 HydrophobicContact CB-CD1 4.22Å; V153-L169 HydrophobicContact CB-CD2 4.44Å; V153-L169 HydrophobicContact CG1-CD1 3.78Å; V153-L169 HydrophobicContact CG1-CD2 3.99Å; V153-L169 HydrophobicContact CG2-CD2 4.17Å; I167-L169 HydrophobicContact CG2-CD1 3.82Å; I167-L169 HydrophobicContact CG2-CD2 4.08Å; I167-L169 HydrophobicContact CG2-CG 3.7Å; L169-R171 PolarHBondContact O-N 3.24Å; L169-C172 HydrophobicContact CB-CB 4.24Å; L169-A175 HydrophobicContact CD1-CB 3.57Å; L169-S190 PolarHBondContact N-O 3.12Å; L169-M191 HydrophobicContact CB-CG 3.57Å; L169-M191 HydrophobicContact CB-SD 3.95Å; L169-M191 HydrophobicContact CD1-CE 4.19Å; L169-M191 HydrophobicContact CD1-CG 4.3Å; L169-M191 HydrophobicContact CD1-SD 3.75Å; L169-M191 HydrophobicContact CG-CG 4.33Å; L169-M191 HydrophobicContact CG-SD 4.39Å; L169-M191 WeakPolarHBondContact O-CG 3.36Å
170P72.2Confident73.4Confident30 Ų3047.2 Ų47.220%0.19523%0.229CC..THydrogen-bonded Turntrans-71.8120.8178.427.1-34.2000111.7V147 Q148 G149 S168 P192V147-P170 VanDerWaalsContact O-CD 3.25Å; V147-P170 WeakPolarHBondContact O-CD 3.38Å; Q148-P170 WeakPolarHBondContact CA-O 3.29Å; Q148-P170 HydrophobicContact CB-CG 4.05Å; Q148-P170 HydrophobicContact CG-CG 4.09Å; G149-P170 PolarHBondContact N-O 2.81Å; G149-P170 VanDerWaalsContact N-O 3.15Å; S168-P170 VanDerWaalsContact O-CD 3.28Å; S168-P170 WeakPolarHBondContact O-CD 3.48Å; P170-P192 HydrophobicContact CB-CG 3.99Å
171R76.9Confident73.3Confident161 Ų16141.8 Ų41.861%0.60821%0.209SC*.THydrogen-bonded Turntrans67.850.3176.3-46.3175179.8-171.4-1.3112.1G149 C150 L169G149-R171 VanDerWaalsContact CA-O 3.22Å; G149-R171 WeakPolarHBondContact CA-O 3.28Å; G149-R171 PolarHBondContact N-O 3.21Å; C150-R171 PolarHBondContact N-O 3Å; L169-R171 PolarHBondContact O-N 3.24Å
172C75.6Confident73Confident1 Ų142.3 Ų42.31%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-108.9134.6169.1-75.80000108.3C150 L169 R193 C194C150-C172 HydrophobicContact CB-CB 4.32Å; C150-C172 WeakPolarHBondContact CB-SG 3.39Å; C150-C172 PolarHBondContact N-SG 3.1Å; C150-C172 CarbonylContact O-C 3.52Å; C150-C172 WeakPolarHBondContact O-CA 3.29Å; C150-C172 WeakPolarHBondContact SG-CB 3.36Å; C150-C172 CovalentContact SG-SG 2.03Å; C150-C172 PolarHBondContact SG-SG 3.07Å; L169-C172 HydrophobicContact CB-CB 4.24Å; C172-R193 VanDerWaalsContact O-O 3.11Å; C172-C194 WeakPolarHBondContact O-CA 3.37Å; C172-C194 VanDerWaalsContact O-CB 3.23Å; C172-C194 WeakPolarHBondContact O-CB 3.38Å
173D78.5Confident73.2Confident73 Ų7343.3 Ų43.339%0.3921%0.213SC..EExtended strand (participates in β ladder)trans-70.2-54.1-178.2-61.4-21.4000108.6C150 C194 D195 D196C150-D173 PolarHBondContact O-N 2.83Å; D173-C194 CarbonylContact O-C 3.57Å; D173-D195 WeakPolarHBondContact O-CA 3.26Å; D173-D195 PolarHBondContact O-N 3.04Å; D173-D196 PolarHBondContact O-N 3.06Å
174D78.3Confident73.1Confident49 Ų4946.4 Ų46.426%0.26223%0.226SC..EExtended strand (participates in β ladder)trans-120.2139.5178.6-64.9-27.1000113.1V151 H152 V153 D196V151-D174 PolarHBondContact O-N 2.85Å; H152-D174 WeakPolarHBondContact CA-O 3.28Å; H152-D174 VanDerWaalsContact ND1-CB 3.34Å; H152-D174 WeakPolarHBondContact ND1-CB 3.27Å; H152-D174 IonicContact ND1-OD2 3.92Å; V153-D174 PolarHBondContact N-O 3.48Å; D174-D196 VanDerWaalsContact CA-O 3.31Å; D174-D196 WeakPolarHBondContact CA-O 3.41Å; D174-D196 WeakPolarHBondContact OD1-CB 3.4Å; D174-D196 PolarHBondContact OD1-N 2.81Å
175A73Confident72.7Confident2 Ų243.2 Ų43.22%0.01721%0.212CC..EExtended strand (participates in β ladder)trans-139.2130.5169.300000114.2V153 L169 M191 D196 V197 T198V153-A175 HydrophobicContact CB-CB 4.49Å; V153-A175 CarbonylContact O-C 3.54Å; V153-A175 WeakPolarHBondContact O-CA 3.41Å; L169-A175 HydrophobicContact CD1-CB 3.57Å; A175-M191 HydrophobicContact CB-CE 3.81Å; A175-M191 HydrophobicContact CB-SD 3.33Å; A175-M191 WeakPolarHBondContact CB-SD 3.25Å; A175-D196 PolarHBondContact N-O 2.97Å; A175-V197 HydrophobicContact CB-CG2 4.2Å; A175-V197 CarbonylContact O-C 3.52Å; A175-V197 VanDerWaalsContact O-CA 3.31Å; A175-V197 WeakPolarHBondContact O-CA 3.34Å; A175-T198 PolarHBondContact O-N 2.72Å
176T79.3Confident72.8Confident37 Ų3746.2 Ų46.223%0.22723%0.228CC..EExtended strand (participates in β ladder)trans-112.5124.2168.1-60.80000109.5V153 T154 T155 E178 T198V153-T176 PolarHBondContact O-N 3.13Å; T154-T176 CarbonylContact C-O 3.53Å; T154-T176 WeakPolarHBondContact CA-O 3.29Å; T155-T176 PolarHBondContact N-O 3.15Å; T176-E178 HydrophobicContact CG2-CG 4.47Å; T176-T198 CarbonylContact C-O 3.56Å; T176-T198 VanDerWaalsContact CA-O 3.31Å; T176-T198 WeakPolarHBondContact CA-O 3.48Å
177A72.5Confident72.3Confident3 Ų343.9 Ų43.93%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-124.3122.4168.200000112.1T155 I167 T198 F199 K200T155-A177 CarbonylContact O-C 3.52Å; T155-A177 VanDerWaalsContact O-CA 3.27Å; T155-A177 WeakPolarHBondContact O-CA 3Å; I167-A177 HydrophobicContact CD1-CB 4.31Å; A177-T198 PolarHBondContact N-O 2.93Å; A177-F199 HydrophobicContact CB-CD1 3.72Å; A177-F199 HydrophobicContact CB-CE1 3.79Å; A177-F199 WeakPolarHBondContact O-CA 3.48Å; A177-K200 PolarHBondContact O-N 3.04Å
178E75.2Confident72.3Confident48 Ų4846.2 Ų46.222%0.22423%0.227CC..EExtended strand (participates in β ladder)trans-108.5124.1172-59.5-162.8156.600110.1T155 Q156 V157 T176 K200T155-E178 PolarHBondContact O-N 2.84Å; Q156-E178 CarbonylContact C-O 3.46Å; Q156-E178 VanDerWaalsContact CA-O 3.3Å; Q156-E178 WeakPolarHBondContact CA-O 3.34Å; Q156-E178 HydrophobicContact CG-CB 4.29Å; V157-E178 PolarHBondContact N-O 2.84Å; T176-E178 HydrophobicContact CG2-CG 4.47Å; E178-K200 CarbonylContact C-O 3.52Å; E178-K200 WeakPolarHBondContact CA-O 3.37Å; E178-K200 HydrophobicContact CG-CB 4.17Å; E178-K200 HydrophobicContact CG-CG 4.49Å; E178-K200 WeakPolarHBondContact OE1-CD 3.36Å; E178-K200 IonicContact OE1-NZ 2.84Å; E178-K200 PolarHBondContact OE1-NZ 3.42Å
179M71.2Confident71.9Confident6 Ų644.5 Ų44.53%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-123.1126177.9-70.1174-80.800110.2V157 V165 V187 I189 K200 M201 W202V157-M179 HydrophobicContact CB-CG 4.22Å; V157-M179 CarbonylContact O-C 3.53Å; V157-M179 VanDerWaalsContact O-CA 3.28Å; V157-M179 WeakPolarHBondContact O-CA 3.39Å; V165-M179 HydrophobicContact CG1-SD 4.22Å; M179-V187 HydrophobicContact CE-CG1 3.76Å; M179-V187 HydrophobicContact SD-CB 4.45Å; M179-V187 HydrophobicContact SD-CG1 3.56Å; M179-V187 VanDerWaalsContact SD-CG1 3.56Å; M179-V187 HydrophobicContact SD-CG2 3.99Å; M179-I189 HydrophobicContact CE-CD1 3.62Å; M179-K200 PolarHBondContact N-O 2.96Å; M179-M201 HydrophobicContact CB-CG 4.12Å; M179-M201 HydrophobicContact CE-CG 3.5Å; M179-M201 VanDerWaalsContact CE-CG 3.5Å; M179-M201 HydrophobicContact CE-SD 3.75Å; M179-M201 CarbonylContact O-C 3.58Å; M179-M201 WeakPolarHBondContact O-CA 3.37Å; M179-W202 PolarHBondContact O-N 2.84Å
180R70.7Confident72Confident130 Ų13046.3 Ų46.349%0.49123%0.228SC..EExtended strand (participates in β ladder)trans-116.8120169.3-71-171.2138.5-162.5-4.4109.3V157 R158 L159 W202V157-R180 PolarHBondContact O-N 2.94Å; R158-R180 WeakPolarHBondContact CA-O 3.46Å; R158-R180 HydrophobicContact CG-CB 4.21Å; L159-R180 PolarHBondContact N-O 2.74Å; R180-W202 HydrophobicContact CG-CB 4.09Å; R180-W202 HydrophobicContact CG-CG 4.2Å
181R65.3Low72.2Confident30 Ų3044.9 Ų44.911%0.11322%0.219CC..EExtended strand (participates in β ladder)trans-125.4143.2-178.5-83.3177.3150.7-172.24.1111.6L159 G163 G185 D186 V187 W202 C204L159-R181 HydrophobicContact CB-CG 4.29Å; G163-R181 PolarHBondContact O-NH2 2.83Å; R181-G185 PolarHBondContact NH1-O 2.74Å; R181-D186 PolarHBondContact NH2-O 2.92Å; R181-V187 VanDerWaalsContact NH1-CG2 3.31Å; R181-W202 PolarHBondContact N-O 2.89Å; R181-C204 WeakPolarHBondContact O-CB 3.37Å; R181-C204 PolarHBondContact O-N 3.41Å
182L55.6Low72.1Confident91 Ų9139.4 Ų39.448%0.47620%0.204SC..SBendtrans-106.9-20.5-179.1-85.5156.2000114.3L159 R160 C204L159-L182 PolarHBondContact O-N 2.82Å; R160-L182 HydrophobicContact CB-CD1 4.07Å; R160-L182 HydrophobicContact CG-CD1 3.77Å; R160-L182 WeakPolarHBondContact O-CB 3.46Å; L182-C204 WeakPolarHBondContact O-CB 3.38Å
183Q61.1Low72Confident70 Ų7046 Ų4633%0.32723%0.229SC..SBendtrans-140.2-83.3-175.3-67.8-169-19.900116.2C204 H206Q183-C204 CarbonylContact C-O 3.59Å; Q183-H206 PolarHBondContact O-N 3.11Å; Q183-H206 VanDerWaalsContact O-N 3.13Å
184H63.5Low71.8Confident72 Ų7242.9 Ų42.933%0.33321%0.213SC..  trans-139.5164.6-168.4-50.3-37.6000115.9C162 G163 H206C162-H184 WeakPolarHBondContact CA-O 3.39Å; C162-H184 HydrophobicContact CB-CB 3.96Å; C162-H184 WeakPolarHBondContact SG-CB 3.38Å; C162-H184 PolarHBondContact SG-CD2 2.89Å; G163-H184 PolarHBondContact N-O 2.02Å; G163-H184 VanDerWaalsContact N-O 3.12Å; H184-H206 VanDerWaalsContact CA-O 3.31Å; H184-H206 WeakPolarHBondContact CA-O 3.01Å; H184-H206 AromaticContact CE1-ND1 3.41Å; H184-H206 PolarHBondContact CE1-ND1 2.85Å; H184-H206 WeakPolarHBondContact ND1-CB 3.36Å; H184-H206 AromaticContact ND1-CG 3.98Å; H184-H206 AromaticContact ND1-ND1 3.75Å
185G66.4Low71.8Confident11 Ų1145.2 Ų45.211%0.11323%0.225CC..  trans129.1163.3170.100000113.1D164 R181 H206 G207D164-G185 WeakPolarHBondContact OD1-CA 3.24Å; R181-G185 PolarHBondContact NH1-O 2.74Å; G185-H206 PolarHBondContact N-O 2.84Å; G185-G207 CarbonylContact O-C 2.91Å; G185-G207 VanDerWaalsContact O-CA 3.28Å; G185-G207 WeakPolarHBondContact O-CA 3.42Å
186D74.1Confident71.9Confident64 Ų6448.8 Ų48.834%0.34224%0.244SC..  trans-92.1153.9176.5-64.9-26.9000110.8D164 V165 R181 D208D164-D186 CarbonylContact C-O 3.55Å; D164-D186 VanDerWaalsContact CA-O 3.31Å; D164-D186 WeakPolarHBondContact CA-O 3.46Å; D164-D186 PolarHBondContact OD1-N 2.86Å; V165-D186 PolarHBondContact N-O 2.95Å; R181-D186 PolarHBondContact NH2-O 2.92Å; D186-D208 CarbonylContact C-O 3.58Å; D186-D208 WeakPolarHBondContact CA-O 3.23Å; D186-D208 PolarHBondContact OD1-N 2.85Å
187V70.6Confident71.6Confident3 Ų347.1 Ų47.12%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-122123.9170.7-176.50000108.2V165 M179 R181 I189 D208 V209 M210V165-V187 HydrophobicContact CB-CG1 4.44Å; V165-V187 HydrophobicContact CB-CG2 4.43Å; V165-V187 CarbonylContact O-C 3.56Å; V165-V187 VanDerWaalsContact O-CA 3.27Å; V165-V187 WeakPolarHBondContact O-CA 3.48Å; M179-V187 HydrophobicContact CE-CG1 3.76Å; M179-V187 HydrophobicContact SD-CB 4.45Å; M179-V187 HydrophobicContact SD-CG1 3.56Å; M179-V187 VanDerWaalsContact SD-CG1 3.56Å; M179-V187 HydrophobicContact SD-CG2 3.99Å; R181-V187 VanDerWaalsContact NH1-CG2 3.31Å; V187-I189 HydrophobicContact CG1-CD1 4.05Å; V187-I189 HydrophobicContact CG1-CG1 3.76Å; V187-D208 PolarHBondContact N-O 2.9Å; V187-V209 HydrophobicContact CB-CG1 4.37Å; V187-V209 HydrophobicContact CB-CG2 4.28Å; V187-V209 HydrophobicContact CG2-CG2 4.49Å; V187-V209 CarbonylContact O-C 3.54Å; V187-V209 WeakPolarHBondContact O-CA 3.43Å; V187-M210 PolarHBondContact O-N 3.03Å
188V76.7Confident71.9Confident50 Ų5049.2 Ų49.230%0.30325%0.246SC..EExtended strand (participates in β ladder)trans-117.2121.2172.3-175.60000108.3V165 T166 I167 M210V165-V188 PolarHBondContact O-N 3.19Å; T166-V188 CarbonylContact C-O 3.56Å; T166-V188 VanDerWaalsContact CA-O 3.29Å; T166-V188 WeakPolarHBondContact CA-O 3.11Å; T166-V188 HydrophobicContact CG2-CB 4.37Å; I167-V188 PolarHBondContact N-O 3.42Å; V188-M210 CarbonylContact C-O 3.57Å; V188-M210 WeakPolarHBondContact CA-O 3.26Å; V188-M210 HydrophobicContact CG2-CE 4.05Å
189I73.7Confident71.7Confident1 Ų147 Ų471%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-122.4125.9174.1-44.4178.9000109.1I167 M179 V187 M191 F199 M210 T211 S212 M213I167-I189 HydrophobicContact CB-CG2 4.21Å; I167-I189 HydrophobicContact CG2-CG2 4.27Å; I167-I189 CarbonylContact O-C 3.58Å; I167-I189 VanDerWaalsContact O-CA 3.31Å; I167-I189 WeakPolarHBondContact O-CA 3.49Å; M179-I189 HydrophobicContact CE-CD1 3.62Å; V187-I189 HydrophobicContact CG1-CD1 4.05Å; V187-I189 HydrophobicContact CG1-CG1 3.76Å; I189-M191 HydrophobicContact CG2-CE 4Å; I189-F199 HydrophobicContact CB-CE1 4.44Å; I189-F199 HydrophobicContact CB-CZ 4.21Å; I189-F199 HydrophobicContact CD1-CD1 3.61Å; I189-F199 HydrophobicContact CD1-CE1 3.33Å; I189-F199 HydrophobicContact CD1-CG 4.34Å; I189-F199 HydrophobicContact CD1-CZ 3.8Å; I189-F199 HydrophobicContact CG1-CE1 4.41Å; I189-F199 HydrophobicContact CG2-CE1 3.77Å; I189-F199 HydrophobicContact CG2-CZ 3.53Å; I189-M210 PolarHBondContact N-O 2.83Å; I189-T211 HydrophobicContact CB-CG2 4.37Å; I189-T211 HydrophobicContact CD1-CG2 4.48Å; I189-T211 CarbonylContact O-C 3.28Å; I189-T211 WeakPolarHBondContact O-CA 3.42Å; I189-S212 PolarHBondContact O-N 2.95Å; I189-M213 HydrophobicContact CB-CE 4.14Å; I189-M213 HydrophobicContact CG2-CE 3.91Å
190S80.6Confident71.9Confident40 Ų4049.9 Ų49.928%0.2825%0.249SC..EExtended strand (participates in β ladder)trans-125.5118.2179.8-173.50000110.3I167 S168 L169I167-S190 PolarHBondContact O-N 3.07Å; S168-S190 WeakPolarHBondContact CA-O 3.31Å; L169-S190 PolarHBondContact N-O 3.12Å
191M78.2Confident71.8Confident0 Ų044.4 Ų44.40%023%0.229CC..  trans-133.487.3175.7-95-176-73.400110.1L169 A175 I189 R193 V197 F199 S212 M213L169-M191 HydrophobicContact CB-CG 3.57Å; L169-M191 HydrophobicContact CB-SD 3.95Å; L169-M191 HydrophobicContact CD1-CE 4.19Å; L169-M191 HydrophobicContact CD1-CG 4.3Å; L169-M191 HydrophobicContact CD1-SD 3.75Å; L169-M191 HydrophobicContact CG-CG 4.33Å; L169-M191 HydrophobicContact CG-SD 4.39Å; L169-M191 WeakPolarHBondContact O-CG 3.36Å; A175-M191 HydrophobicContact CB-CE 3.81Å; A175-M191 HydrophobicContact CB-SD 3.33Å; A175-M191 WeakPolarHBondContact CB-SD 3.25Å; I189-M191 HydrophobicContact CG2-CE 4Å; M191-R193 PolarHBondContact O-N 2.8Å; M191-V197 HydrophobicContact CE-CB 4.25Å; M191-V197 HydrophobicContact CE-CG1 3.6Å; M191-V197 HydrophobicContact CE-CG2 3.47Å; M191-V197 VanDerWaalsContact CE-CG2 3.47Å; M191-V197 HydrophobicContact SD-CG2 3.46Å; M191-V197 WeakPolarHBondContact SD-CG2 3.36Å; M191-F199 HydrophobicContact CE-CE1 3.93Å; M191-F199 HydrophobicContact CE-CE2 4.15Å; M191-F199 HydrophobicContact CE-CZ 3.25Å; M191-S212 PolarHBondContact N-O 2.75Å; M191-M213 HydrophobicContact CB-CG 3.84Å; M191-M213 HydrophobicContact CE-CE 4.03Å; M191-M213 WeakPolarHBondContact O-CA 3.19Å
192P73.7Confident71.8Confident47 Ų4750.2 Ų50.231%0.30525%0.251SS..SBendtrans-67-21.4-174.623.1-32000114.4P170 P214 R215P170-P192 HydrophobicContact CB-CG 3.99Å; P192-P214 HydrophobicContact CB-CG 4.44Å; P192-R215 WeakPolarHBondContact O-CB 3.38Å
193R73.1Confident72.1Confident138 Ų13852 Ų5252%0.52125%0.251SS..SBendtrans-151.4128.2176.3-64.8-172.3-175.7-171.8-0.9108.8C172 M191 R215C172-R193 VanDerWaalsContact O-O 3.11Å; M191-R193 PolarHBondContact O-N 2.8Å; R193-R215 WeakPolarHBondContact CA-O 3.4Å; R193-R215 HydrophobicContact CG-CB 4.39Å
194C75Confident71.5Confident9 Ų951.1 Ų51.16%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-159160.4173.657.40000111.1C172 D173 V197 R215 C216 G217C172-C194 WeakPolarHBondContact O-CA 3.37Å; C172-C194 VanDerWaalsContact O-CB 3.23Å; C172-C194 WeakPolarHBondContact O-CB 3.38Å; D173-C194 CarbonylContact O-C 3.57Å; C194-V197 HydrophobicContact CB-CG2 3.97Å; C194-V197 WeakPolarHBondContact SG-CG2 3.47Å; C194-R215 PolarHBondContact N-O 2.86Å; C194-C216 HydrophobicContact CB-CB 4.28Å; C194-C216 WeakPolarHBondContact CB-SG 3.4Å; C194-C216 PolarHBondContact N-SG 2.84Å; C194-C216 WeakPolarHBondContact O-CA 3.24Å; C194-C216 WeakPolarHBondContact SG-CB 3.24Å; C194-C216 CovalentContact SG-SG 2.01Å; C194-C216 PolarHBondContact SG-SG 2.94Å; C194-G217 PolarHBondContact O-N 2.76Å
195D77.4Confident71.3Confident97 Ų9754.1 Ų54.152%0.51927%0.266SS..EExtended strand (participates in β ladder)trans-85.9-66.9168.5-69.4-20.1000107.5D173 G217 D218D173-D195 WeakPolarHBondContact O-CA 3.26Å; D173-D195 PolarHBondContact O-N 3.04Å; D195-G217 VanDerWaalsContact O-CA 3.31Å; D195-G217 WeakPolarHBondContact O-CA 3.09Å; D195-G217 PolarHBondContact O-N 3.37Å; D195-D218 PolarHBondContact O-N 3.26Å
196D76.7Confident70.8Confident77 Ų7759.6 Ų59.641%0.41229%0.289SS..EExtended strand (participates in β ladder)trans-122.1136.3-177.7-63.9-21.8000114.1D173 D174 A175 D218D173-D196 PolarHBondContact O-N 3.06Å; D174-D196 VanDerWaalsContact CA-O 3.31Å; D174-D196 WeakPolarHBondContact CA-O 3.41Å; D174-D196 WeakPolarHBondContact OD1-CB 3.4Å; D174-D196 PolarHBondContact OD1-N 2.81Å; A175-D196 PolarHBondContact N-O 2.97Å; D196-D218 WeakPolarHBondContact OD1-CB 3.41Å
197V71.8Confident70.2Confident2 Ų257.7 Ų57.71%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-132.7128.5176.4167.80000112.3A175 M191 C194 F199 D218 S220A175-V197 HydrophobicContact CB-CG2 4.2Å; A175-V197 CarbonylContact O-C 3.52Å; A175-V197 VanDerWaalsContact O-CA 3.31Å; A175-V197 WeakPolarHBondContact O-CA 3.34Å; M191-V197 HydrophobicContact CE-CB 4.25Å; M191-V197 HydrophobicContact CE-CG1 3.6Å; M191-V197 HydrophobicContact CE-CG2 3.47Å; M191-V197 VanDerWaalsContact CE-CG2 3.47Å; M191-V197 HydrophobicContact SD-CG2 3.46Å; M191-V197 WeakPolarHBondContact SD-CG2 3.36Å; C194-V197 HydrophobicContact CB-CG2 3.97Å; C194-V197 WeakPolarHBondContact SG-CG2 3.47Å; V197-F199 HydrophobicContact CB-CE2 4.43Å; V197-F199 HydrophobicContact CG1-CD2 3.56Å; V197-F199 HydrophobicContact CG1-CE1 4.07Å; V197-F199 HydrophobicContact CG1-CE2 2.96Å; V197-F199 HydrophobicContact CG1-CG 4.35Å; V197-F199 HydrophobicContact CG1-CZ 3.28Å; V197-D218 PolarHBondContact N-O 3.38Å; V197-S220 PolarHBondContact O-N 3.01Å
198T78.6Confident70.2Confident47 Ų4762.7 Ų62.729%0.28831%0.311SS..EExtended strand (participates in β ladder)trans-121.2125.3173.2-61.80000111.5A175 T176 A177 S220A175-T198 PolarHBondContact O-N 2.72Å; T176-T198 CarbonylContact C-O 3.56Å; T176-T198 VanDerWaalsContact CA-O 3.31Å; T176-T198 WeakPolarHBondContact CA-O 3.48Å; A177-T198 PolarHBondContact N-O 2.93Å; T198-S220 CarbonylContact C-O 3.5Å; T198-S220 WeakPolarHBondContact CA-O 3.47Å
199F71.9Confident69.8Low1 Ų162.7 Ų62.70%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-116.7132.7171.4-62.3-63.8000111.8A177 I189 M191 V197 M201 M213 S220 T221 Q222A177-F199 HydrophobicContact CB-CD1 3.72Å; A177-F199 HydrophobicContact CB-CE1 3.79Å; A177-F199 WeakPolarHBondContact O-CA 3.48Å; I189-F199 HydrophobicContact CB-CE1 4.44Å; I189-F199 HydrophobicContact CB-CZ 4.21Å; I189-F199 HydrophobicContact CD1-CD1 3.61Å; I189-F199 HydrophobicContact CD1-CE1 3.33Å; I189-F199 HydrophobicContact CD1-CG 4.34Å; I189-F199 HydrophobicContact CD1-CZ 3.8Å; I189-F199 HydrophobicContact CG1-CE1 4.41Å; I189-F199 HydrophobicContact CG2-CE1 3.77Å; I189-F199 HydrophobicContact CG2-CZ 3.53Å; M191-F199 HydrophobicContact CE-CE1 3.93Å; M191-F199 HydrophobicContact CE-CE2 4.15Å; M191-F199 HydrophobicContact CE-CZ 3.25Å; V197-F199 HydrophobicContact CB-CE2 4.43Å; V197-F199 HydrophobicContact CG1-CD2 3.56Å; V197-F199 HydrophobicContact CG1-CE1 4.07Å; V197-F199 HydrophobicContact CG1-CE2 2.96Å; V197-F199 HydrophobicContact CG1-CG 4.35Å; V197-F199 HydrophobicContact CG1-CZ 3.28Å; F199-M201 HydrophobicContact CB-CE 4.49Å; F199-M213 HydrophobicContact CD2-CE 4.42Å; F199-M213 HydrophobicContact CE2-CE 3.19Å; F199-M213 HydrophobicContact CE2-SD 3.74Å; F199-M213 HydrophobicContact CZ-CE 3.32Å; F199-M213 HydrophobicContact CZ-SD 4.39Å; F199-S220 PolarHBondContact N-O 3.05Å; F199-T221 HydrophobicContact CB-CG2 4.22Å; F199-T221 HydrophobicContact CD2-CG2 3.85Å; F199-Q222 PolarHBondContact O-N 2.84Å
200K74.7Confident69.7Low68 Ų6868 Ų6830%0.29634%0.337SS..EExtended strand (participates in β ladder)trans-123.4111.7164.9-55.6-169.8-163.1139.20109.4A177 E178 M179 Q222A177-K200 PolarHBondContact O-N 3.04Å; E178-K200 CarbonylContact C-O 3.52Å; E178-K200 WeakPolarHBondContact CA-O 3.37Å; E178-K200 HydrophobicContact CG-CB 4.17Å; E178-K200 HydrophobicContact CG-CG 4.49Å; E178-K200 WeakPolarHBondContact OE1-CD 3.36Å; E178-K200 IonicContact OE1-NZ 2.84Å; E178-K200 PolarHBondContact OE1-NZ 3.42Å; M179-K200 PolarHBondContact N-O 2.96Å; K200-Q222 CarbonylContact C-O 3.53Å; K200-Q222 WeakPolarHBondContact CA-O 3.43Å; K200-Q222 HydrophobicContact CG-CB 4.3Å
201M68.4Low69.3Low15 Ų1569.5 Ų69.57%0.07435%0.345CS..EExtended strand (participates in β ladder)trans-105.4141.8171.2-78.1173.7-81.200109.2M179 F199 V209 Q222 V223M179-M201 HydrophobicContact CB-CG 4.12Å; M179-M201 HydrophobicContact CE-CG 3.5Å; M179-M201 VanDerWaalsContact CE-CG 3.5Å; M179-M201 HydrophobicContact CE-SD 3.75Å; M179-M201 CarbonylContact O-C 3.58Å; M179-M201 WeakPolarHBondContact O-CA 3.37Å; F199-M201 HydrophobicContact CB-CE 4.49Å; M201-V209 HydrophobicContact CE-CG1 3.74Å; M201-V209 HydrophobicContact SD-CB 4.34Å; M201-V209 HydrophobicContact SD-CG1 3.68Å; M201-V209 HydrophobicContact SD-CG2 3.69Å; M201-Q222 PolarHBondContact N-O 3.37Å; M201-V223 HydrophobicContact CB-CG1 4.34Å; M201-V223 HydrophobicContact CE-CG2 3.98Å; M201-V223 CarbonylContact O-C 3.39Å; M201-V223 WeakPolarHBondContact O-CA 3.32Å
202W65.8Low69.3Low151 Ų15172.6 Ų72.657%0.57237%0.366SS*.EExtended strand (participates in β ladder)trans-124.3103.8167.7-68.169.2000106.2M179 R180 R181M179-W202 PolarHBondContact O-N 2.84Å; R180-W202 HydrophobicContact CG-CB 4.09Å; R180-W202 HydrophobicContact CG-CG 4.2Å; R181-W202 PolarHBondContact N-O 2.89Å
203R62.2Low69.5Low128 Ų12872.1 Ų72.148%0.48336%0.36SS..  trans-85.1145.1-174.5-141.3-174.6-154.3162.88.8110.7G207R203-G207 VanDerWaalsContact CZ-O 3.22Å; R203-G207 PolarHBondContact NE-O 2.92Å; R203-G207 PolarHBondContact NH2-O 3.11Å
204C49.4Very low69.4Low52 Ų5269.9 Ų69.935%0.35136%0.364SS..  trans-132.4130.7156.8-75.90000107.5R181 L182 Q183 H206R181-C204 WeakPolarHBondContact O-CB 3.37Å; R181-C204 PolarHBondContact O-N 3.41Å; L182-C204 WeakPolarHBondContact O-CB 3.38Å; Q183-C204 CarbonylContact C-O 3.59Å; C204-H206 PolarHBondContact O-N 2.73Å
205Q57.6Low69.6Low136 Ų13677.6 Ų77.664%0.63639%0.391SS*.SBendtrans72.5-78.7166.4-56.9-172-4.400118.9
206H56Low69.5Low125 Ų12574.3 Ų74.358%0.57938%0.376SS*.  trans-149.8157-168.7-59.282.2000115.4Q183 H184 G185 C204Q183-H206 PolarHBondContact O-N 3.11Å; Q183-H206 VanDerWaalsContact O-N 3.13Å; H184-H206 VanDerWaalsContact CA-O 3.31Å; H184-H206 WeakPolarHBondContact CA-O 3.01Å; H184-H206 AromaticContact CE1-ND1 3.41Å; H184-H206 PolarHBondContact CE1-ND1 2.85Å; H184-H206 WeakPolarHBondContact ND1-CB 3.36Å; H184-H206 AromaticContact ND1-CG 3.98Å; H184-H206 AromaticContact ND1-ND1 3.75Å; G185-H206 PolarHBondContact N-O 2.84Å; C204-H206 PolarHBondContact O-N 2.73Å
207G63.1Low69.4Low24 Ų2473.4 Ų73.425%0.24739%0.385CS..  trans114145.617200000113.6G185 R203G185-G207 CarbonylContact O-C 2.91Å; G185-G207 VanDerWaalsContact O-CA 3.28Å; G185-G207 WeakPolarHBondContact O-CA 3.42Å; R203-G207 VanDerWaalsContact CZ-O 3.22Å; R203-G207 PolarHBondContact NE-O 2.92Å; R203-G207 PolarHBondContact NH2-O 3.11Å
208D69.8Low69.7Low109 Ų10978.7 Ų78.758%0.58341%0.413SS*.  trans-85.2157.6-165.6-73.4-36.6000113.8D186 V187D186-D208 CarbonylContact C-O 3.58Å; D186-D208 WeakPolarHBondContact CA-O 3.23Å; D186-D208 PolarHBondContact OD1-N 2.85Å; V187-D208 PolarHBondContact N-O 2.9Å
209V67.8Low69.4Low50 Ų5079.8 Ų79.830%0.30342%0.42SS..EExtended strand (participates in β ladder)trans-123.1116.9173.9-1790000108.1V187 M201 T211V187-V209 HydrophobicContact CB-CG1 4.37Å; V187-V209 HydrophobicContact CB-CG2 4.28Å; V187-V209 HydrophobicContact CG2-CG2 4.49Å; V187-V209 CarbonylContact O-C 3.54Å; V187-V209 WeakPolarHBondContact O-CA 3.43Å; M201-V209 HydrophobicContact CE-CG1 3.74Å; M201-V209 HydrophobicContact SD-CB 4.34Å; M201-V209 HydrophobicContact SD-CG1 3.68Å; M201-V209 HydrophobicContact SD-CG2 3.69Å; V209-T211 HydrophobicContact CG1-CG2 4.17Å
210M72.3Confident69.7Low113 Ų11382.5 Ų82.556%0.55744%0.438SS*.EExtended strand (participates in β ladder)trans-111.8121.3172.9-73-170.6-82.300109.6V187 V188 I189V187-M210 PolarHBondContact O-N 3.03Å; V188-M210 CarbonylContact C-O 3.57Å; V188-M210 WeakPolarHBondContact CA-O 3.26Å; V188-M210 HydrophobicContact CG2-CE 4.05Å; I189-M210 PolarHBondContact N-O 2.83Å
211T71.4Confident69.4Low71 Ų7183.1 Ų83.144%0.43645%0.448SS..EExtended strand (participates in β ladder)trans-119129175.151.90000109.7I189 V209 M213I189-T211 HydrophobicContact CB-CG2 4.37Å; I189-T211 HydrophobicContact CD1-CG2 4.48Å; I189-T211 CarbonylContact O-C 3.28Å; I189-T211 WeakPolarHBondContact O-CA 3.42Å; V209-T211 HydrophobicContact CG1-CG2 4.17Å; T211-M213 HydrophobicContact CG2-CE 4.13Å
212S78.1Confident69.5Low65 Ų6587.8 Ų87.846%0.45547%0.47SS..EExtended strand (participates in β ladder)trans-123.2105.6175.9-174.80000110.2I189 M191I189-S212 PolarHBondContact O-N 2.95Å; M191-S212 PolarHBondContact N-O 2.75Å
213M77.8Confident69.5Low37 Ų3786.3 Ų86.318%0.18248%0.477CS..  trans-131.173.2177.9-68.4118.4-151.400111.6I189 M191 F199 T211 R215 C216 V219I189-M213 HydrophobicContact CB-CE 4.14Å; I189-M213 HydrophobicContact CG2-CE 3.91Å; M191-M213 HydrophobicContact CB-CG 3.84Å; M191-M213 HydrophobicContact CE-CE 4.03Å; M191-M213 WeakPolarHBondContact O-CA 3.19Å; F199-M213 HydrophobicContact CD2-CE 4.42Å; F199-M213 HydrophobicContact CE2-CE 3.19Å; F199-M213 HydrophobicContact CE2-SD 3.74Å; F199-M213 HydrophobicContact CZ-CE 3.32Å; F199-M213 HydrophobicContact CZ-SD 4.39Å; T211-M213 HydrophobicContact CG2-CE 4.13Å; M213-R215 VanDerWaalsContact C-N 3.29Å; M213-R215 PolarHBondContact O-N 3.21Å; M213-C216 HydrophobicContact CB-CB 4.28Å; M213-V219 HydrophobicContact CB-CG2 4.39Å; M213-V219 HydrophobicContact SD-CG1 4.14Å
214P72.2Confident69.8Low91 Ų9184.3 Ų84.359%0.59148%0.477SS*.THydrogen-bonded Turntrans-69.8-18.1-173.526.5-36.2000115.1P192P192-P214 HydrophobicContact CB-CG 4.44Å
215R77.8Confident70.9Confident170 Ų17085.9 Ų85.964%0.64248%0.484SS*.THydrogen-bonded Turntrans-14664.3-176.2-57.4-176.4-178.9-160.5-1.8111P192 R193 C194 M213P192-R215 WeakPolarHBondContact O-CB 3.38Å; R193-R215 WeakPolarHBondContact CA-O 3.4Å; R193-R215 HydrophobicContact CG-CB 4.39Å; C194-R215 PolarHBondContact N-O 2.86Å; M213-R215 VanDerWaalsContact C-N 3.29Å; M213-R215 PolarHBondContact O-N 3.21Å
216C75.5Confident71.6Confident29 Ų2983.2 Ų83.220%0.19648%0.475CS..EExtended strand (participates in β ladder)trans-118.8144.9174.4-62.40000111.3C194 M213 V219C194-C216 HydrophobicContact CB-CB 4.28Å; C194-C216 WeakPolarHBondContact CB-SG 3.4Å; C194-C216 PolarHBondContact N-SG 2.84Å; C194-C216 WeakPolarHBondContact O-CA 3.24Å; C194-C216 WeakPolarHBondContact SG-CB 3.24Å; C194-C216 CovalentContact SG-SG 2.01Å; C194-C216 PolarHBondContact SG-SG 2.94Å; M213-C216 HydrophobicContact CB-CB 4.28Å; C216-V219 HydrophobicContact CB-CG2 3.83Å
217G75.3Confident72.6Confident58 Ų5880.7 Ų80.760%0.59847%0.469SS*.EExtended strand (participates in β ladder)trans-69-71.6178.800000109.7C194 D195C194-G217 PolarHBondContact O-N 2.76Å; D195-G217 VanDerWaalsContact O-CA 3.31Å; D195-G217 WeakPolarHBondContact O-CA 3.09Å; D195-G217 PolarHBondContact O-N 3.37Å
218D77.5Confident73.1Confident113 Ų11384.3 Ų84.360%0.60448%0.483SS*.EExtended strand (participates in β ladder)trans-115.4128.4-179.8-69-31.6000111.6D195 D196 V197D195-D218 PolarHBondContact O-N 3.26Å; D196-D218 WeakPolarHBondContact OD1-CB 3.41Å; V197-D218 PolarHBondContact N-O 3.38Å
219V73.4Confident73.4Confident70 Ų7082.6 Ų82.642%0.42448%0.476SS..EExtended strand (participates in β ladder)trans-123.7111.6176.7-177.70000108.8M213 C216 T221M213-V219 HydrophobicContact CB-CG2 4.39Å; M213-V219 HydrophobicContact SD-CG1 4.14Å; C216-V219 HydrophobicContact CB-CG2 3.83Å; V219-T221 HydrophobicContact CG1-CG2 4.25Å
220S77Confident73.8Confident57 Ų5784.9 Ų84.940%0.39949%0.489SS..EExtended strand (participates in β ladder)trans-105.6126174.2-174.20000110.1V197 T198 F199V197-S220 PolarHBondContact O-N 3.01Å; T198-S220 CarbonylContact C-O 3.5Å; T198-S220 WeakPolarHBondContact CA-O 3.47Å; F199-S220 PolarHBondContact N-O 3.05Å
221T69.4Low73.9Confident81 Ų8182.8 Ų82.850%0.49748%0.483SS..EExtended strand (participates in β ladder)trans-127126.5178.848.50000109.7F199 V219F199-T221 HydrophobicContact CB-CG2 4.22Å; F199-T221 HydrophobicContact CD2-CG2 3.85Å; V219-T221 HydrophobicContact CG1-CG2 4.25Å
222Q69.6Low74.1Confident113 Ų11383.8 Ų83.853%0.52849%0.487SS..EExtended strand (participates in β ladder)trans-120.5131.3167.6-71-179-600107.9F199 K200 M201F199-Q222 PolarHBondContact O-N 2.84Å; K200-Q222 CarbonylContact C-O 3.53Å; K200-Q222 WeakPolarHBondContact CA-O 3.43Å; K200-Q222 HydrophobicContact CG-CB 4.3Å; M201-Q222 PolarHBondContact N-O 3.37Å
223V65.3Low73.7Confident121 Ų12185.5 Ų85.573%0.73349%0.49SS*.  trans-130.40-177.7-173.60000109.9M201M201-V223 HydrophobicContact CB-CG1 4.34Å; M201-V223 HydrophobicContact CE-CG2 3.98Å; M201-V223 CarbonylContact O-C 3.39Å; M201-V223 WeakPolarHBondContact O-CA 3.32Å

Retrieved 223 of 223 residues in 462.1 ms (Link to these results)

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