A0A077ZM75_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZM75, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 124 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
1M48.2Very low80.8Confident194 Ų19483 Ų8396%0.95644%0.441SS*.  0110.20-78.8178-167.400104.2G3M1-G3 PolarHBondContact O-N 2.76Å
2E57.4Low81.3Confident195 Ų19579.8 Ų79.891%0.91143%0.43SS*.  trans-70.7116.9-177.9-69.1177.893.400109.3E56E2-E56 WeakPolarHBondContact CA-OE2 3.37Å
3G74Confident81.7Confident38 Ų3879 Ų7939%0.39242%0.42SS..SBendtrans145-167.8174.700000118M1 E56M1-G3 PolarHBondContact O-N 2.76Å; G3-E56 PolarHBondContact N-OE2 3.23Å
4Y82.4Confident82Confident126 Ų12686.9 Ų86.949%0.49445%0.454SS..EExtended strand (participates in β ladder)trans-101.9121.1175.5176.4-98.3000109.4V6 V53 H54 N55Y4-V6 HydrophobicContact CD1-CG2 4.24Å; Y4-V6 HydrophobicContact CE1-CG2 3.35Å; Y4-V6 HydrophobicContact CE2-CG2 4.22Å; Y4-V6 WeakPolarHBondContact OH-CG2 3.4Å; Y4-V53 HydrophobicContact CD2-CG1 4.23Å; Y4-V53 HydrophobicContact CE2-CG1 3.51Å; Y4-H54 CarbonylContact C-O 3.55Å; Y4-H54 VanDerWaalsContact CA-O 3.31Å; Y4-H54 WeakPolarHBondContact CA-O 3.21Å; Y4-N55 HydrophobicContact CD2-CB 4.03Å
5N86Confident82.3Confident72 Ų7282 Ų8239%0.38543%0.428SS..EExtended strand (participates in β ladder)trans-128.9139.2177-164.7-24.9000110.3V53 H54N5-V53 WeakPolarHBondContact O-CA 3.41Å; N5-H54 HydrophobicContact CB-CB 4.22Å; N5-H54 PolarHBondContact N-O 2.81Å; N5-H54 PolarHBondContact O-N 2.76Å
6V87.1Confident82.7Confident10 Ų1081.9 Ų81.96%0.06143%0.432CS..EExtended strand (participates in β ladder)trans-126.4118.6174-174.20000108.5Y4 K24 L51 V53Y4-V6 HydrophobicContact CD1-CG2 4.24Å; Y4-V6 HydrophobicContact CE1-CG2 3.35Å; Y4-V6 HydrophobicContact CE2-CG2 4.22Å; Y4-V6 WeakPolarHBondContact OH-CG2 3.4Å; V6-K24 HydrophobicContact CB-CB 4.49Å; V6-K24 HydrophobicContact CB-CG 4.32Å; V6-K24 HydrophobicContact CG1-CB 4.26Å; V6-K24 HydrophobicContact CG1-CG 4Å; V6-K24 WeakPolarHBondContact O-CE 3.38Å; V6-K24 PolarHBondContact O-NZ 3.41Å; V6-L51 HydrophobicContact CG1-CB 3.98Å; V6-L51 HydrophobicContact CG1-CD1 3.99Å; V6-L51 HydrophobicContact CG1-CD2 4.14Å; V6-L51 HydrophobicContact CG1-CG 4.27Å; V6-V53 HydrophobicContact CG1-CG2 4.3Å; V6-V53 HydrophobicContact CG2-CG1 4.26Å; V6-V53 HydrophobicContact CG2-CG2 4.26Å
7T90.3Very high82.9Confident65 Ų6586.6 Ų86.640%0.39945%0.451SS..EExtended strand (participates in β ladder)trans-113.8149.6174.562.80000109.8L51 D52T7-L51 CarbonylContact O-C 3.59Å; T7-L51 VanDerWaalsContact O-CA 3.22Å; T7-L51 WeakPolarHBondContact O-CA 3.23Å; T7-D52 PolarHBondContact N-O 3.32Å; T7-D52 PolarHBondContact O-N 3.36Å; T7-D52 PolarHBondContact OG1-O 3.26Å
8I90.4Very high83.2Confident27 Ų2791.6 Ų91.614%0.13847%0.468CS..EExtended strand (participates in β ladder)trans-94.2110177.4-61.7171.5000106.1T11 L15 R20 V50 L51I8-T11 HydrophobicContact CG2-CG2 3.24Å; I8-L15 HydrophobicContact CD1-CD1 4.42Å; I8-R20 HydrophobicContact CD1-CB 3.76Å; I8-R20 HydrophobicContact CD1-CG 3.8Å; I8-V50 CarbonylContact C-O 3.44Å; I8-L51 HydrophobicContact CB-CD2 4.26Å; I8-L51 HydrophobicContact CG1-CD2 3.58Å
9A91.3Very high83.3Confident58 Ų5888.9 Ų88.948%0.47945%0.454SS..EExtended strand (participates in β ladder)trans-80.1-43.7-178.500000111.7V50 D52A9-V50 HydrophobicContact CB-CB 4.46Å; A9-V50 HydrophobicContact CB-CG1 4.36Å; A9-V50 PolarHBondContact N-O 2.68Å; A9-D52 VanDerWaalsContact CB-OD2 3.25Å; A9-D52 WeakPolarHBondContact CB-OD2 3.41Å
10K90.4Very high83.5Confident83 Ų8389.8 Ų89.836%0.36145%0.451SS..EExtended strand (participates in β ladder)trans-145.2149.5-179.3-174170.7-179171.40110.5Y48 A49 V50 D88K10-Y48 WeakPolarHBondContact CE-OH 3.21Å; K10-A49 CarbonylContact O-C 3.46Å; K10-A49 WeakPolarHBondContact O-CA 3.42Å; K10-V50 HydrophobicContact CB-CB 4Å; K10-V50 HydrophobicContact CB-CG2 4.02Å; K10-V50 PolarHBondContact N-O 3.49Å; K10-V50 PolarHBondContact O-N 2.85Å; K10-D88 WeakPolarHBondContact CE-OD2 3.42Å; K10-D88 IonicContact NZ-OD1 2.98Å; K10-D88 PolarHBondContact NZ-OD1 2.91Å; K10-D88 IonicContact NZ-OD2 2.62Å; K10-D88 PolarHBondContact NZ-OD2 3.07Å
11T90.8Very high83.7Confident45 Ų4590.4 Ų90.428%0.27646%0.459SS..EExtended strand (participates in β ladder)trans-137.9146.5170.664.20000109.2I8 K13 L15 Y48 A49I8-T11 HydrophobicContact CG2-CG2 3.24Å; T11-K13 VanDerWaalsContact C-N 3.32Å; T11-K13 VanDerWaalsContact CB-O 3.23Å; T11-K13 WeakPolarHBondContact CB-O 3.3Å; T11-K13 PolarHBondContact OG1-O 2.87Å; T11-L15 HydrophobicContact CG2-CD1 3.57Å; T11-L15 HydrophobicContact CG2-CG 3.99Å; T11-Y48 WeakPolarHBondContact CA-O 3.5Å; T11-A49 HydrophobicContact CG2-CB 4.15Å
12S87.5Confident85.5Confident44 Ų4489.4 Ų89.431%0.30845%0.445SS..SBendtrans-77-22.5175.6710000113.3F47 Y48S12-F47 VanDerWaalsContact OG-CA 3.32Å; S12-F47 WeakPolarHBondContact OG-CA 3.29Å; S12-F47 VanDerWaalsContact OG-CB 3.25Å; S12-F47 WeakPolarHBondContact OG-CB 3.33Å; S12-Y48 VanDerWaalsContact CB-CD1 3.41Å; S12-Y48 PolarHBondContact N-O 3.21Å; S12-Y48 PolarHBondContact OG-N 3.32Å
13K86.4Confident86.8Confident70 Ų7080.4 Ų80.430%0.30440%0.403SS..SBendtrans-134.3164.3176.474.6177.2-171.9-1760110.7T11 L15 E19 D46 F47T11-K13 VanDerWaalsContact C-N 3.32Å; T11-K13 VanDerWaalsContact CB-O 3.23Å; T11-K13 WeakPolarHBondContact CB-O 3.3Å; T11-K13 PolarHBondContact OG1-O 2.87Å; K13-L15 HydrophobicContact CD-CD2 4.42Å; K13-L15 HydrophobicContact CG-CD2 3.85Å; K13-L15 PolarHBondContact O-N 3.21Å; K13-E19 WeakPolarHBondContact CE-OE1 3.45Å; K13-E19 IonicContact NZ-OE1 2.87Å; K13-E19 PolarHBondContact NZ-OE1 3.38Å; K13-D46 IonicContact NZ-OD2 3.67Å; K13-F47 HydrophobicContact CD-CB 3.8Å; K13-F47 HydrophobicContact CD-CD1 4.17Å; K13-F47 HydrophobicContact CD-CD2 4.37Å; K13-F47 HydrophobicContact CD-CG 3.89Å; K13-F47 VanDerWaalsContact CE-CG 3.5Å; K13-F47 HydrophobicContact CG-CB 3.94Å; K13-F47 HydrophobicContact CG-CD2 4.4Å; K13-F47 HydrophobicContact CG-CG 4.24Å; K13-F47 VanDerWaalsContact NZ-CD1 3.32Å; K13-F47 VanDerWaalsContact NZ-CE1 3.35Å
14E85.8Confident87.3Confident190 Ų19082.7 Ų82.789%0.88840%0.402SS*.PPolyproline II helixtrans-70.5116.4170.1-160.5173103.600109.7
15L86.8Confident87.4Confident13 Ų1380 Ų807%0.06840%0.396CS..PPolyproline II helixtrans-90.3132.8-177.5-62.8-179.6000111.1I8 T11 K13 E19 R20 M23 F47 A49I8-L15 HydrophobicContact CD1-CD1 4.42Å; T11-L15 HydrophobicContact CG2-CD1 3.57Å; T11-L15 HydrophobicContact CG2-CG 3.99Å; K13-L15 HydrophobicContact CD-CD2 4.42Å; K13-L15 HydrophobicContact CG-CD2 3.85Å; K13-L15 PolarHBondContact O-N 3.21Å; L15-E19 HydrophobicContact CB-CB 4.04Å; L15-E19 HydrophobicContact CD2-CB 4.02Å; L15-E19 HydrophobicContact CG-CB 4.49Å; L15-R20 HydrophobicContact CB-CG 3.66Å; L15-R20 HydrophobicContact CD1-CG 4.31Å; L15-M23 HydrophobicContact CD1-CG 3.63Å; L15-F47 HydrophobicContact CD2-CD2 3.7Å; L15-F47 HydrophobicContact CD2-CE2 3.57Å; L15-F47 HydrophobicContact CD2-CZ 4.5Å; L15-A49 HydrophobicContact CD1-CB 4.44Å
16T89Confident87.2Confident80 Ų8077.9 Ų77.949%0.49139%0.386SS..PPolyproline II helixtrans-62.8162.2167.563.90000111.2K18 E19 R20T16-K18 PolarHBondContact O-N 3.36Å; T16-E19 WeakPolarHBondContact CB-OE2 3.22Å; T16-E19 WeakPolarHBondContact CG2-OE2 3.31Å; T16-E19 PolarHBondContact N-OE2 2.86Å; T16-E19 PolarHBondContact O-N 3.38Å; T16-E19 WeakPolarHBondContact OG1-CG 3.42Å; T16-E19 PolarHBondContact OG1-N 2.72Å; T16-E19 PolarHBondContact OG1-OE2 2.74Å; T16-R20 WeakPolarHBondContact O-CG 3.32Å; T16-R20 PolarHBondContact O-N 2.98Å
17H86.1Confident86.9Confident163 Ų16382.5 Ų82.576%0.75542%0.415SS*.Hα-helixtrans-58.1-36.9179.4-67.620.5000112.4V21H17-V21 WeakPolarHBondContact O-CG2 3.19Å; H17-V21 PolarHBondContact O-N 3.21Å
18K87Confident86.7Confident176 Ų17685.6 Ų85.677%0.76543%0.428SS*.Hα-helixtrans-65.6-43.3175.1-75.8-176178.4176.90112T16 V21 R22T16-K18 PolarHBondContact O-N 3.36Å; K18-V21 PolarHBondContact O-N 3.13Å; K18-R22 PolarHBondContact O-N 2.98Å
19E86.7Confident86.7Confident41 Ų4184.6 Ų84.619%0.19242%0.424CS..Hα-helixtrans-66.2-40.2177.8-73.1166.9124.700111.6K13 L15 T16 V21 R22 M23K13-E19 WeakPolarHBondContact CE-OE1 3.45Å; K13-E19 IonicContact NZ-OE1 2.87Å; K13-E19 PolarHBondContact NZ-OE1 3.38Å; L15-E19 HydrophobicContact CB-CB 4.04Å; L15-E19 HydrophobicContact CD2-CB 4.02Å; L15-E19 HydrophobicContact CG-CB 4.49Å; T16-E19 WeakPolarHBondContact CB-OE2 3.22Å; T16-E19 WeakPolarHBondContact CG2-OE2 3.31Å; T16-E19 PolarHBondContact N-OE2 2.86Å; T16-E19 PolarHBondContact O-N 3.38Å; T16-E19 WeakPolarHBondContact OG1-CG 3.42Å; T16-E19 PolarHBondContact OG1-N 2.72Å; T16-E19 PolarHBondContact OG1-OE2 2.74Å; E19-V21 VanDerWaalsContact C-N 3.3Å; E19-V21 PolarHBondContact O-N 3.04Å; E19-R22 CarbonylContact O-C 3.55Å; E19-R22 WeakPolarHBondContact O-CA 3.34Å; E19-R22 WeakPolarHBondContact O-CB 3.49Å; E19-R22 PolarHBondContact O-N 3.03Å; E19-R22 VanDerWaalsContact O-N 3.08Å; E19-M23 WeakPolarHBondContact O-CG 3.25Å; E19-M23 PolarHBondContact O-N 3.32Å
20R86.9Confident86.8Confident105 Ų10585.7 Ų85.740%0.39642%0.422SS..Hα-helixtrans-57-44.7175-68.7178.373.385.8-1111.6I8 L15 T16 M23 K24I8-R20 HydrophobicContact CD1-CB 3.76Å; I8-R20 HydrophobicContact CD1-CG 3.8Å; L15-R20 HydrophobicContact CB-CG 3.66Å; L15-R20 HydrophobicContact CD1-CG 4.31Å; T16-R20 WeakPolarHBondContact O-CG 3.32Å; T16-R20 PolarHBondContact O-N 2.98Å; R20-M23 PolarHBondContact O-N 3.2Å; R20-K24 WeakPolarHBondContact O-CG 3.32Å; R20-K24 PolarHBondContact O-N 3.08Å
21V86.8Confident86.9Confident104 Ų10482.9 Ų82.963%0.6341%0.412SS*.Hα-helixtrans-64.4-43175.3175.90000110.8H17 K18 E19 M23 K24 D25H17-V21 WeakPolarHBondContact O-CG2 3.19Å; H17-V21 PolarHBondContact O-N 3.21Å; K18-V21 PolarHBondContact O-N 3.13Å; E19-V21 VanDerWaalsContact C-N 3.3Å; E19-V21 PolarHBondContact O-N 3.04Å; V21-M23 VanDerWaalsContact C-N 3.34Å; V21-M23 PolarHBondContact O-N 2.93Å; V21-K24 PolarHBondContact O-N 3.24Å; V21-D25 PolarHBondContact O-N 2.85Å
22R85.9Confident86.9Confident173 Ų17380.7 Ų80.765%0.65340%0.399SS*.Hα-helixtrans-64.5-32.4176.8-81.1-174.6170.3-172-2.5114.1K18 E19 D25 K75K18-R22 PolarHBondContact O-N 2.98Å; E19-R22 CarbonylContact O-C 3.55Å; E19-R22 WeakPolarHBondContact O-CA 3.34Å; E19-R22 WeakPolarHBondContact O-CB 3.49Å; E19-R22 PolarHBondContact O-N 3.03Å; E19-R22 VanDerWaalsContact O-N 3.08Å; R22-D25 PolarHBondContact O-N 3.27Å; R22-K75 PolarHBondContact O-NZ 2.82Å
23M85Confident87Confident5 Ų582.3 Ų82.33%0.02540%0.404CS..Hα-helixtrans-69.5-42.4176.4-71.5-54.7112.100110.7L15 E19 R20 V21 D25 F47 A49 L51 I67 V69L15-M23 HydrophobicContact CD1-CG 3.63Å; E19-M23 WeakPolarHBondContact O-CG 3.25Å; E19-M23 PolarHBondContact O-N 3.32Å; R20-M23 PolarHBondContact O-N 3.2Å; V21-M23 VanDerWaalsContact C-N 3.34Å; V21-M23 PolarHBondContact O-N 2.93Å; M23-D25 PolarHBondContact O-N 3.22Å; M23-F47 HydrophobicContact CE-CD2 4.42Å; M23-F47 HydrophobicContact CE-CE2 3.27Å; M23-F47 HydrophobicContact CE-CZ 3.55Å; M23-F47 HydrophobicContact SD-CD2 4.46Å; M23-F47 HydrophobicContact SD-CE2 3.75Å; M23-A49 HydrophobicContact CB-CB 4.4Å; M23-A49 HydrophobicContact CG-CB 3.95Å; M23-A49 HydrophobicContact SD-CB 4.03Å; M23-L51 HydrophobicContact CB-CD2 4.5Å; M23-L51 VanDerWaalsContact O-CD1 3.29Å; M23-L51 WeakPolarHBondContact O-CD1 3.21Å; M23-I67 HydrophobicContact SD-CB 4.48Å; M23-I67 HydrophobicContact SD-CG2 3.96Å; M23-V69 HydrophobicContact CE-CG2 3.51Å; M23-V69 HydrophobicContact SD-CG2 4Å
24K84.3Confident87.2Confident86 Ų8685 Ų8537%0.37442%0.418SS..Hα-helixtrans-62.1-25.9176.3-66.9-177.8-178.2-145.50112.7V6 R20 V21 T26V6-K24 HydrophobicContact CB-CB 4.49Å; V6-K24 HydrophobicContact CB-CG 4.32Å; V6-K24 HydrophobicContact CG1-CB 4.26Å; V6-K24 HydrophobicContact CG1-CG 4Å; V6-K24 WeakPolarHBondContact O-CE 3.38Å; V6-K24 PolarHBondContact O-NZ 3.41Å; R20-K24 WeakPolarHBondContact O-CG 3.32Å; R20-K24 PolarHBondContact O-N 3.08Å; V21-K24 PolarHBondContact O-N 3.24Å; K24-T26 PolarHBondContact O-N 3.42Å
25D85.1Confident87.5Confident69 Ų6978 Ų7837%0.36939%0.388SS..  trans-78.594.5171.7-168.7-71.6000111.2V21 R22 M23 T27 K75V21-D25 PolarHBondContact O-N 2.85Å; R22-D25 PolarHBondContact O-N 3.27Å; M23-D25 PolarHBondContact O-N 3.22Å; D25-T27 PolarHBondContact OD1-OG1 2.78Å; D25-T27 PolarHBondContact OD2-OG1 3.04Å; D25-K75 PolarHBondContact O-NZ 2.77Å; D25-K75 IonicContact OD1-NZ 3.96Å
26T81Confident87.6Confident29 Ų2977.6 Ų77.618%0.17839%0.386CS..  trans-91.5-4.4179.362.20000113.4K24 N28 A29 L51 I67 R77K24-T26 PolarHBondContact O-N 3.42Å; T26-N28 VanDerWaalsContact C-N 3.32Å; T26-N28 PolarHBondContact O-N 2.87Å; T26-A29 WeakPolarHBondContact O-CB 3.36Å; T26-A29 PolarHBondContact O-N 2.85Å; T26-A29 VanDerWaalsContact O-N 3.15Å; T26-L51 HydrophobicContact CG2-CD1 3.82Å; T26-I67 HydrophobicContact CG2-CD1 3.76Å; T26-I67 HydrophobicContact CG2-CG1 4.27Å; T26-R77 PolarHBondContact O-NH1 3.29Å
27T82.2Confident87.6Confident107 Ų10780.5 Ų80.566%0.65639%0.394SS*.THydrogen-bonded Turntrans-60.6-39.4-18012.80000112.6D25 A29D25-T27 PolarHBondContact OD1-OG1 2.78Å; D25-T27 PolarHBondContact OD2-OG1 3.04Å; T27-A29 VanDerWaalsContact C-N 3.32Å; T27-A29 PolarHBondContact O-N 2.89Å
28N85.8Confident87.6Confident129 Ų12980.8 Ų80.869%0.6940%0.401SS*.THydrogen-bonded Turntrans-92.116178.3-71.22.5000113.7T26T26-N28 VanDerWaalsContact C-N 3.32Å; T26-N28 PolarHBondContact O-N 2.87Å
29A89.4Confident87.7Confident6 Ų673.7 Ų73.75%0.0538%0.378CS..EExtended strand (participates in β ladder)trans-97.8131.8177.800000111.3T26 T27 I67 K75 R77T26-A29 WeakPolarHBondContact O-CB 3.36Å; T26-A29 PolarHBondContact O-N 2.85Å; T26-A29 VanDerWaalsContact O-N 3.15Å; T27-A29 VanDerWaalsContact C-N 3.32Å; T27-A29 PolarHBondContact O-N 2.89Å; A29-I67 HydrophobicContact CB-CD1 4.38Å; A29-K75 CarbonylContact C-O 3.49Å; A29-K75 VanDerWaalsContact CA-O 3.31Å; A29-K75 WeakPolarHBondContact CA-O 3.29Å; A29-K75 HydrophobicContact CB-CB 3.83Å; A29-R77 HydrophobicContact CB-CB 3.88Å; A29-R77 HydrophobicContact CB-CG 4.06Å; A29-R77 PolarHBondContact O-NH1 2.88Å
30L93Very high87.9Confident82 Ų8275.8 Ų75.843%0.42940%0.395SS..EExtended strand (participates in β ladder)trans-72.5132.1173.8-63.9173.6000109.9L32 V35 T74 K75 Y76 R77L30-L32 PolarHBondContact O-N 2.99Å; L30-V35 HydrophobicContact CB-CG1 4.12Å; L30-V35 HydrophobicContact CD1-CG1 4.47Å; L30-T74 HydrophobicContact CD1-CG2 3.78Å; L30-K75 PolarHBondContact N-O 2.77Å; L30-Y76 HydrophobicContact CB-CD1 3.94Å; L30-Y76 HydrophobicContact CB-CE1 4.27Å; L30-Y76 HydrophobicContact CD1-CD1 4.39Å; L30-Y76 HydrophobicContact CD1-CE1 3.89Å; L30-Y76 CarbonylContact O-C 3.54Å; L30-Y76 VanDerWaalsContact O-CA 3.25Å; L30-Y76 WeakPolarHBondContact O-CA 3.5Å; L30-R77 PolarHBondContact O-N 2.87Å
31S92.7Very high88.2Confident23 Ų2372 Ų7216%0.16138%0.383CS..EExtended strand (participates in β ladder)trans-71119.2175.7-172.80000109.7D33 E34 V35S31-D33 PolarHBondContact O-N 3.29Å; S31-E34 WeakPolarHBondContact CB-OE2 3.49Å; S31-E34 PolarHBondContact O-N 2.79Å; S31-V35 WeakPolarHBondContact O-CG2 3.46Å; S31-V35 PolarHBondContact O-N 2.84Å
32L92.4Very high88.5Confident0 Ų071.3 Ų71.30%038%0.376CS..Hα-helixtrans-59-30.2172.9-75177.2000112L30 V35 T36 I43 L68 Y76 R77 T78 F83 V105 L119L30-L32 PolarHBondContact O-N 2.99Å; L32-V35 HydrophobicContact CD2-CG2 3.92Å; L32-T36 VanDerWaalsContact O-CB 3.25Å; L32-T36 WeakPolarHBondContact O-CB 3.5Å; L32-T36 WeakPolarHBondContact O-CG2 3.16Å; L32-T36 PolarHBondContact O-N 3.45Å; L32-T36 VanDerWaalsContact O-N 3.08Å; L32-T36 PolarHBondContact O-OG1 2.72Å; L32-I43 HydrophobicContact CD2-CD1 3.67Å; L32-L68 HydrophobicContact CD1-CD1 3.6Å; L32-Y76 HydrophobicContact CD2-CD1 3.77Å; L32-Y76 HydrophobicContact CD2-CG 4.07Å; L32-R77 PolarHBondContact N-O 2.89Å; L32-T78 HydrophobicContact CD1-CG2 3.77Å; L32-F83 HydrophobicContact CD1-CE1 4.28Å; L32-F83 HydrophobicContact CD1-CE2 3.89Å; L32-F83 HydrophobicContact CD1-CZ 3.73Å; L32-V105 HydrophobicContact CD1-CG1 4.2Å; L32-V105 HydrophobicContact CD1-CG2 4.36Å; L32-V105 HydrophobicContact CD2-CB 4.44Å; L32-V105 HydrophobicContact CD2-CG1 4.32Å; L32-V105 HydrophobicContact CD2-CG2 4.26Å; L32-L119 HydrophobicContact CB-CD2 4.11Å
33D88.9Confident88.9Confident78 Ų7863.1 Ų63.142%0.41735%0.345SS..Hα-helixtrans-58.6-54171.6-153.8-92.6000109.7S31 T36 R107 L119S31-D33 PolarHBondContact O-N 3.29Å; D33-T36 PolarHBondContact O-N 3.37Å; D33-T36 PolarHBondContact O-OG1 2.8Å; D33-T36 VanDerWaalsContact O-OG1 3.1Å; D33-R107 VanDerWaalsContact C-NH2 3.29Å; D33-R107 PolarHBondContact O-NH2 2.98Å; D33-R107 IonicContact OD1-CZ 3.49Å; D33-R107 IonicContact OD1-NH2 3.74Å; D33-R107 PolarHBondContact OD1-NH2 3.42Å; D33-R107 IonicContact OD2-NH2 3.19Å; D33-R107 PolarHBondContact OD2-NH2 3.27Å; D33-L119 HydrophobicContact CB-CD1 4.05Å; D33-L119 WeakPolarHBondContact OD2-CD1 3.1Å
34E90.3Very high89.3Confident126 Ų12665.5 Ų65.559%0.58936%0.358SS*.Hα-helixtrans-66-47-177.7-62.8179.4115.600112.5S31 T36 Q37S31-E34 WeakPolarHBondContact CB-OE2 3.49Å; S31-E34 PolarHBondContact O-N 2.79Å; E34-T36 PolarHBondContact O-N 3.32Å; E34-Q37 WeakPolarHBondContact O-CB 3.38Å; E34-Q37 PolarHBondContact O-N 2.62Å; E34-Q37 VanDerWaalsContact O-N 3.14Å
35V91.8Very high89.6Confident43 Ų4362 Ų6226%0.26134%0.343SS..Hα-helixtrans-68.2-24.9-176.7-62.90000113L30 S31 L32 Q37 V41 Y76L30-V35 HydrophobicContact CB-CG1 4.12Å; L30-V35 HydrophobicContact CD1-CG1 4.47Å; S31-V35 WeakPolarHBondContact O-CG2 3.46Å; S31-V35 PolarHBondContact O-N 2.84Å; L32-V35 HydrophobicContact CD2-CG2 3.92Å; V35-Q37 VanDerWaalsContact C-N 3.31Å; V35-V41 HydrophobicContact CB-CG2 4.06Å; V35-V41 HydrophobicContact CG2-CG2 3.85Å; V35-V41 WeakPolarHBondContact O-CG2 3.06Å; V35-Y76 HydrophobicContact CG2-CD1 4.44Å
36T90.3Very high89.8Confident5 Ų562.6 Ų62.63%0.03135%0.346CS..THydrogen-bonded Turntrans-83.9-3.8177.258.30000114.1L32 D33 E34 D38 G39 V41 V105 R107 L119L32-T36 VanDerWaalsContact O-CB 3.25Å; L32-T36 WeakPolarHBondContact O-CB 3.5Å; L32-T36 WeakPolarHBondContact O-CG2 3.16Å; L32-T36 PolarHBondContact O-N 3.45Å; L32-T36 VanDerWaalsContact O-N 3.08Å; L32-T36 PolarHBondContact O-OG1 2.72Å; D33-T36 PolarHBondContact O-N 3.37Å; D33-T36 PolarHBondContact O-OG1 2.8Å; D33-T36 VanDerWaalsContact O-OG1 3.1Å; E34-T36 PolarHBondContact O-N 3.32Å; T36-D38 VanDerWaalsContact C-N 3.27Å; T36-D38 PolarHBondContact O-N 2.96Å; T36-G39 CarbonylContact C-O 3.52Å; T36-G39 VanDerWaalsContact CA-O 3.24Å; T36-G39 WeakPolarHBondContact CA-O 3.48Å; T36-G39 PolarHBondContact O-N 2.8Å; T36-V41 HydrophobicContact CG2-CB 4.43Å; T36-V41 HydrophobicContact CG2-CG2 3.96Å; T36-V105 HydrophobicContact CG2-CB 4.23Å; T36-V105 HydrophobicContact CG2-CG1 3.84Å; T36-R107 WeakPolarHBondContact OG1-CG 3.43Å; T36-R107 PolarHBondContact OG1-NE 3.05Å; T36-L119 HydrophobicContact CG2-CD2 3.94Å
37Q87.3Confident90.2Very high140 Ų14061.7 Ų61.765%0.65434%0.34SS*.THydrogen-bonded Turntrans-66.4-31.7173.9-71.6-156.8-39.500112.5E34 V35 G39E34-Q37 WeakPolarHBondContact O-CB 3.38Å; E34-Q37 PolarHBondContact O-N 2.62Å; E34-Q37 VanDerWaalsContact O-N 3.14Å; V35-Q37 VanDerWaalsContact C-N 3.31Å; Q37-G39 VanDerWaalsContact C-N 3.34Å
38D86.6Confident90.7Very high170 Ų17057 Ų5791%0.90931%0.31SS*.SBendtrans-83.9-14.1-179.3-140.7-104.8000112.4T36T36-D38 VanDerWaalsContact C-N 3.27Å; T36-D38 PolarHBondContact O-N 2.96Å
39G89.4Confident91.1Very high27 Ų2750.9 Ų50.928%0.27828%0.277SS..SBendtrans151-177.8-179.500000113T36 Q37T36-G39 CarbonylContact C-O 3.52Å; T36-G39 VanDerWaalsContact CA-O 3.24Å; T36-G39 WeakPolarHBondContact CA-O 3.48Å; T36-G39 PolarHBondContact O-N 2.8Å; Q37-G39 VanDerWaalsContact C-N 3.34Å
40P91.3Very high91.3Very high85 Ų8551.2 Ų51.255%0.55228%0.279SS*.  trans-62.9140.7172.825.9-31.7000111.2E104 V105P40-E104 HydrophobicContact CB-CG 3.98Å; P40-V105 CarbonylContact C-O 3.52Å; P40-V105 VanDerWaalsContact CA-O 3.29Å; P40-V105 WeakPolarHBondContact CA-O 3.49Å
41V93.3Very high91.2Very high24 Ų2447.3 Ų47.315%0.14526%0.258CS..EExtended strand (participates in β ladder)trans-111.1124.9-179.7178.60000109.2V35 T36 I43 Y76 E104 V105V35-V41 HydrophobicContact CB-CG2 4.06Å; V35-V41 HydrophobicContact CG2-CG2 3.85Å; V35-V41 WeakPolarHBondContact O-CG2 3.06Å; T36-V41 HydrophobicContact CG2-CB 4.43Å; T36-V41 HydrophobicContact CG2-CG2 3.96Å; V41-I43 HydrophobicContact CG1-CD1 4.48Å; V41-I43 HydrophobicContact CG1-CG1 3.95Å; V41-Y76 HydrophobicContact CG1-CE1 4.5Å; V41-E104 WeakPolarHBondContact O-CA 3.29Å; V41-V105 PolarHBondContact N-O 3.29Å; V41-V105 PolarHBondContact O-N 3.01Å
42L93.4Very high91.2Very high91 Ų9149.2 Ų49.248%0.47627%0.267SS..EExtended strand (participates in β ladder)trans-89.6126.5172.6-63.8177.4000109.8E104 V124L42-E104 HydrophobicContact CD2-CB 3.7Å; L42-E104 HydrophobicContact CD2-CG 3.87Å; L42-V124 HydrophobicContact CD2-CG2 3.63Å
43I93.4Very high91.1Very high1 Ų149.4 Ų49.41%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-122116.5-179.5-53.2177.3000108L32 V41 L45 D70 Y76 L103 V105L32-I43 HydrophobicContact CD2-CD1 3.67Å; V41-I43 HydrophobicContact CG1-CD1 4.48Å; V41-I43 HydrophobicContact CG1-CG1 3.95Å; I43-L45 VanDerWaalsContact C-N 3.27Å; I43-L45 PolarHBondContact O-N 3.44Å; I43-D70 HydrophobicContact CG2-CB 3.96Å; I43-Y76 HydrophobicContact CD1-CD1 4.41Å; I43-Y76 HydrophobicContact CD1-CD2 4.05Å; I43-Y76 HydrophobicContact CD1-CE2 4.37Å; I43-Y76 HydrophobicContact CD1-CG 4.07Å; I43-Y76 HydrophobicContact CG1-CD2 4.47Å; I43-Y76 HydrophobicContact CG1-CE2 4.32Å; I43-Y76 HydrophobicContact CG2-CD2 4.17Å; I43-Y76 HydrophobicContact CG2-CE2 4.08Å; I43-L103 HydrophobicContact CB-CB 4.39Å; I43-L103 PolarHBondContact N-O 3.08Å; I43-L103 PolarHBondContact O-N 3.22Å; I43-V105 HydrophobicContact CD1-CG2 3.55Å; I43-V105 HydrophobicContact CG1-CG2 4.24Å
44D92.3Very high91.1Very high54 Ų5447.9 Ų47.929%0.28926%0.258SS..  trans-78.882.1170.5-165-6.9000108.7D46 D70 K71D44-D46 PolarHBondContact O-N 3.43Å; D44-D70 CarbonylContact O-C 3.51Å; D44-D70 WeakPolarHBondContact O-CA 3.22Å; D44-D70 WeakPolarHBondContact O-CB 3.41Å; D44-K71 PolarHBondContact O-N 3.42Å; D44-K71 WeakPolarHBondContact OD1-CD 3.42Å; D44-K71 VanDerWaalsContact OD1-CE 3.3Å; D44-K71 WeakPolarHBondContact OD1-CE 3.33Å; D44-K71 IonicContact OD1-NZ 2.72Å; D44-K71 PolarHBondContact OD1-NZ 3.02Å; D44-K71 IonicContact OD2-NZ 3.76Å
45L90.6Very high90.8Very high13 Ų1343.5 Ų43.57%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-63.7120.3-169-173.265.6000111.1I43 F47 Y48 L68 L87 M91 W101I43-L45 VanDerWaalsContact C-N 3.27Å; I43-L45 PolarHBondContact O-N 3.44Å; L45-F47 WeakPolarHBondContact CD1-O 3.27Å; L45-Y48 HydrophobicContact CD2-CD1 4.43Å; L45-L68 HydrophobicContact CD1-CB 3.79Å; L45-L68 HydrophobicContact CD1-CD2 3.76Å; L45-L68 HydrophobicContact CD1-CG 4.28Å; L45-L87 HydrophobicContact CD2-CD1 4.12Å; L45-M91 HydrophobicContact CD2-CE 4.44Å; L45-M91 HydrophobicContact CD2-SD 3.65Å; L45-W101 HydrophobicContact CB-CH2 4.33Å; L45-W101 HydrophobicContact CD2-CH2 3.88Å
46D90.1Very high90.3Very high81 Ų8146.1 Ų46.143%0.43325%0.248SC..EExtended strand (participates in β ladder)trans-88.3-49.2169.1-165.968.9000109.7K13 D44 V69 K71K13-D46 IonicContact NZ-OD2 3.67Å; D44-D46 PolarHBondContact O-N 3.43Å; D46-V69 WeakPolarHBondContact CB-O 3.42Å; D46-V69 PolarHBondContact N-O 2.95Å; D46-K71 HydrophobicContact CB-CG 3.87Å
47F90.6Very high89.8Confident11 Ų1155.5 Ų55.55%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-162.4163.8176.562.6-76.8000112.3S12 K13 L15 M23 L45 V69S12-F47 VanDerWaalsContact OG-CA 3.32Å; S12-F47 WeakPolarHBondContact OG-CA 3.29Å; S12-F47 VanDerWaalsContact OG-CB 3.25Å; S12-F47 WeakPolarHBondContact OG-CB 3.33Å; K13-F47 HydrophobicContact CD-CB 3.8Å; K13-F47 HydrophobicContact CD-CD1 4.17Å; K13-F47 HydrophobicContact CD-CD2 4.37Å; K13-F47 HydrophobicContact CD-CG 3.89Å; K13-F47 VanDerWaalsContact CE-CG 3.5Å; K13-F47 HydrophobicContact CG-CB 3.94Å; K13-F47 HydrophobicContact CG-CD2 4.4Å; K13-F47 HydrophobicContact CG-CG 4.24Å; K13-F47 VanDerWaalsContact NZ-CD1 3.32Å; K13-F47 VanDerWaalsContact NZ-CE1 3.35Å; L15-F47 HydrophobicContact CD2-CD2 3.7Å; L15-F47 HydrophobicContact CD2-CE2 3.57Å; L15-F47 HydrophobicContact CD2-CZ 4.5Å; M23-F47 HydrophobicContact CE-CD2 4.42Å; M23-F47 HydrophobicContact CE-CE2 3.27Å; M23-F47 HydrophobicContact CE-CZ 3.55Å; M23-F47 HydrophobicContact SD-CD2 4.46Å; M23-F47 HydrophobicContact SD-CE2 3.75Å; L45-F47 WeakPolarHBondContact CD1-O 3.27Å; F47-V69 HydrophobicContact CD1-CB 4.07Å; F47-V69 HydrophobicContact CD1-CG1 4.39Å; F47-V69 HydrophobicContact CE1-CB 3.74Å; F47-V69 HydrophobicContact CE1-CG1 3.71Å; F47-V69 HydrophobicContact CE1-CG2 4.3Å; F47-V69 HydrophobicContact CE2-CB 4.27Å; F47-V69 HydrophobicContact CE2-CG2 4.03Å; F47-V69 HydrophobicContact CG-CB 4.47Å; F47-V69 HydrophobicContact CZ-CB 3.86Å; F47-V69 HydrophobicContact CZ-CG1 3.98Å; F47-V69 HydrophobicContact CZ-CG2 3.89Å; F47-V69 PolarHBondContact N-O 2.77Å; F47-V69 PolarHBondContact O-N 3.17Å
48Y92.6Very high89.3Confident8 Ų850.7 Ų50.73%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-131.7159172.677.2-89.1000112K10 T11 S12 L45 V50 I67 L87 M91K10-Y48 WeakPolarHBondContact CE-OH 3.21Å; T11-Y48 WeakPolarHBondContact CA-O 3.5Å; S12-Y48 VanDerWaalsContact CB-CD1 3.41Å; S12-Y48 PolarHBondContact N-O 3.21Å; S12-Y48 PolarHBondContact OG-N 3.32Å; L45-Y48 HydrophobicContact CD2-CD1 4.43Å; Y48-V50 HydrophobicContact CD2-CG2 4.13Å; Y48-V50 HydrophobicContact CE2-CG2 3.95Å; Y48-I67 CarbonylContact C-O 3.57Å; Y48-I67 WeakPolarHBondContact CA-O 3.09Å; Y48-I67 WeakPolarHBondContact CB-O 3.09Å; Y48-L87 HydrophobicContact CD1-CD2 4Å; Y48-L87 HydrophobicContact CD1-CG 4.42Å; Y48-L87 HydrophobicContact CD2-CD2 3.86Å; Y48-L87 HydrophobicContact CE1-CD2 4.38Å; Y48-L87 HydrophobicContact CE1-CG 4.48Å; Y48-L87 HydrophobicContact CE2-CD2 4.25Å; Y48-L87 HydrophobicContact CG-CD2 3.75Å; Y48-M91 HydrophobicContact CD1-CE 4.13Å; Y48-M91 HydrophobicContact CD1-CG 4.07Å; Y48-M91 HydrophobicContact CD1-SD 4.33Å; Y48-M91 HydrophobicContact CE1-CB 3.94Å; Y48-M91 HydrophobicContact CE1-CE 3.85Å; Y48-M91 HydrophobicContact CE1-CG 3.46Å; Y48-M91 VanDerWaalsContact CE1-CG 3.46Å; Y48-M91 HydrophobicContact CE1-SD 4.15Å
49A93Very high88.8Confident0 Ų052.6 Ų52.60%027%0.274CS..EExtended strand (participates in β ladder)trans-139137.2173.500000110K10 T11 L15 M23 I67K10-A49 CarbonylContact O-C 3.46Å; K10-A49 WeakPolarHBondContact O-CA 3.42Å; T11-A49 HydrophobicContact CG2-CB 4.15Å; L15-A49 HydrophobicContact CD1-CB 4.44Å; M23-A49 HydrophobicContact CB-CB 4.4Å; M23-A49 HydrophobicContact CG-CB 3.95Å; M23-A49 HydrophobicContact SD-CB 4.03Å; A49-I67 PolarHBondContact N-O 2.79Å; A49-I67 PolarHBondContact O-N 2.86Å
50V93.5Very high88.4Confident13 Ų1354.7 Ų54.78%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-99.8125.7173.4-173.20000107.7I8 A9 K10 Y48 T64 L84I8-V50 CarbonylContact C-O 3.44Å; A9-V50 HydrophobicContact CB-CB 4.46Å; A9-V50 HydrophobicContact CB-CG1 4.36Å; A9-V50 PolarHBondContact N-O 2.68Å; K10-V50 HydrophobicContact CB-CB 4Å; K10-V50 HydrophobicContact CB-CG2 4.02Å; K10-V50 PolarHBondContact N-O 3.49Å; K10-V50 PolarHBondContact O-N 2.85Å; Y48-V50 HydrophobicContact CD2-CG2 4.13Å; Y48-V50 HydrophobicContact CE2-CG2 3.95Å; V50-T64 HydrophobicContact CG1-CG2 3.19Å; V50-L84 HydrophobicContact CB-CD2 4.41Å; V50-L84 HydrophobicContact CG1-CD2 3.98Å; V50-L84 HydrophobicContact CG2-CD2 3.54Å
51L92.3Very high88.1Confident0 Ų054.4 Ų54.40%028%0.277CS..EExtended strand (participates in β ladder)trans-111.5129.1-178.5-56.4178000109.5V6 T7 I8 M23 T26 V53 T64 V65 I67V6-L51 HydrophobicContact CG1-CB 3.98Å; V6-L51 HydrophobicContact CG1-CD1 3.99Å; V6-L51 HydrophobicContact CG1-CD2 4.14Å; V6-L51 HydrophobicContact CG1-CG 4.27Å; T7-L51 CarbonylContact O-C 3.59Å; T7-L51 VanDerWaalsContact O-CA 3.22Å; T7-L51 WeakPolarHBondContact O-CA 3.23Å; I8-L51 HydrophobicContact CB-CD2 4.26Å; I8-L51 HydrophobicContact CG1-CD2 3.58Å; M23-L51 HydrophobicContact CB-CD2 4.5Å; M23-L51 VanDerWaalsContact O-CD1 3.29Å; M23-L51 WeakPolarHBondContact O-CD1 3.21Å; T26-L51 HydrophobicContact CG2-CD1 3.82Å; L51-V53 HydrophobicContact CB-CG2 4.39Å; L51-T64 CarbonylContact O-C 3.51Å; L51-T64 WeakPolarHBondContact O-CA 3.22Å; L51-V65 PolarHBondContact N-O 3.49Å; L51-V65 PolarHBondContact O-N 2.81Å; L51-I67 HydrophobicContact CD1-CD1 4.35Å; L51-I67 HydrophobicContact CD1-CG1 3.52Å; L51-I67 HydrophobicContact CG-CG1 4.15Å
52D92Very high87.9Confident64 Ų6458.5 Ų58.534%0.34230%0.298SS..EExtended strand (participates in β ladder)trans-92.8117.3164.3-74.9-41.4000108.4T7 A9 T64T7-D52 PolarHBondContact N-O 3.32Å; T7-D52 PolarHBondContact O-N 3.36Å; T7-D52 PolarHBondContact OG1-O 3.26Å; A9-D52 VanDerWaalsContact CB-OD2 3.25Å; A9-D52 WeakPolarHBondContact CB-OD2 3.41Å; D52-T64 PolarHBondContact OD1-OG1 2.9Å
53V89.4Confident87.7Confident3 Ų357.7 Ų57.72%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-106.4121.2-178.7-174.60000108.4Y4 N5 V6 L51 N55 D62 Y63 V65Y4-V53 HydrophobicContact CD2-CG1 4.23Å; Y4-V53 HydrophobicContact CE2-CG1 3.51Å; N5-V53 WeakPolarHBondContact O-CA 3.41Å; V6-V53 HydrophobicContact CG1-CG2 4.3Å; V6-V53 HydrophobicContact CG2-CG1 4.26Å; V6-V53 HydrophobicContact CG2-CG2 4.26Å; L51-V53 HydrophobicContact CB-CG2 4.39Å; V53-N55 HydrophobicContact CG1-CB 4.49Å; V53-D62 WeakPolarHBondContact O-CA 3.25Å; V53-Y63 HydrophobicContact CB-CD1 4.35Å; V53-Y63 HydrophobicContact CB-CD2 4.19Å; V53-Y63 HydrophobicContact CB-CE1 4.01Å; V53-Y63 HydrophobicContact CB-CE2 3.81Å; V53-Y63 HydrophobicContact CB-CG 4.46Å; V53-Y63 HydrophobicContact CG1-CE1 3.78Å; V53-Y63 HydrophobicContact CG1-CE2 4.05Å; V53-Y63 VanDerWaalsContact CG1-CZ 3.48Å; V53-Y63 WeakPolarHBondContact CG1-OH 3.5Å; V53-Y63 HydrophobicContact CG2-CE2 4.11Å; V53-Y63 PolarHBondContact N-O 2.92Å; V53-Y63 PolarHBondContact O-N 2.75Å; V53-V65 HydrophobicContact CG2-CG2 4.3Å
54H88.7Confident87.6Confident46 Ų4660.4 Ų60.421%0.21331%0.306CS..EExtended strand (participates in β ladder)trans-101.8116.7169.5-17085.1000108.2Y4 N5 I61 D62Y4-H54 CarbonylContact C-O 3.55Å; Y4-H54 VanDerWaalsContact CA-O 3.31Å; Y4-H54 WeakPolarHBondContact CA-O 3.21Å; N5-H54 HydrophobicContact CB-CB 4.22Å; N5-H54 PolarHBondContact N-O 2.81Å; N5-H54 PolarHBondContact O-N 2.76Å; H54-I61 CarbonylContact C-O 3.44Å; H54-I61 WeakPolarHBondContact CA-O 3.31Å; H54-I61 WeakPolarHBondContact CE1-CG2 3.29Å; H54-D62 IonicContact CE1-OD1 3.47Å; H54-D62 IonicContact CE1-OD2 3.57Å; H54-D62 PolarHBondContact CE1-OD2 3.15Å; H54-D62 IonicContact CG-OD1 3.46Å; H54-D62 IonicContact ND1-OD1 2.72Å; H54-D62 PolarHBondContact ND1-OD1 2.94Å; H54-D62 IonicContact ND1-OD2 3.84Å; H54-D62 PolarHBondContact ND1-OD2 3.42Å
55N85.4Confident87.6Confident35 Ų3558.6 Ų58.619%0.18730%0.297CS..EExtended strand (participates in β ladder)trans-141.199.3179-178.28000109.9Y4 V53 K57 S58 I61 Y63Y4-N55 HydrophobicContact CD2-CB 4.03Å; V53-N55 HydrophobicContact CG1-CB 4.49Å; N55-K57 PolarHBondContact O-N 2.95Å; N55-K57 WeakPolarHBondContact OD1-CB 3.38Å; N55-K57 PolarHBondContact OD1-N 3.21Å; N55-K57 VanDerWaalsContact OD1-N 3.13Å; N55-S58 VanDerWaalsContact O-CB 3.3Å; N55-S58 WeakPolarHBondContact O-CB 3.24Å; N55-S58 PolarHBondContact O-N 2.87Å; N55-I61 PolarHBondContact N-O 2.84Å; N55-I61 WeakPolarHBondContact O-CA 3.25Å; N55-Y63 HydrophobicContact CB-CE1 4Å
56E80.5Confident87.8Confident97 Ų9758 Ų5845%0.45329%0.294SS..THydrogen-bonded Turntrans-61.3-14.1178.3-69.1178.2119.800114.6E2 G3 S58 I61E2-E56 WeakPolarHBondContact CA-OE2 3.37Å; G3-E56 PolarHBondContact N-OE2 3.23Å; E56-S58 VanDerWaalsContact C-N 3.35Å; E56-I61 HydrophobicContact CG-CG2 4.23Å
57K79.6Confident87.9Confident202 Ų20254.1 Ų54.188%0.87827%0.273SS*.THydrogen-bonded Turntrans-85.8-8174.8-60-173.4177-179.10113.5N55N55-K57 PolarHBondContact O-N 2.95Å; N55-K57 WeakPolarHBondContact OD1-CB 3.38Å; N55-K57 PolarHBondContact OD1-N 3.21Å; N55-K57 VanDerWaalsContact OD1-N 3.13Å
58S78Confident88.1Confident40 Ų4053.6 Ų53.628%0.2827%0.271SS..SBendtrans-90.2147.7179.7-174.50000110.2N55 E56 S60N55-S58 VanDerWaalsContact O-CB 3.3Å; N55-S58 WeakPolarHBondContact O-CB 3.24Å; N55-S58 PolarHBondContact O-N 2.87Å; E56-S58 VanDerWaalsContact C-N 3.35Å; S58-S60 WeakPolarHBondContact CB-O 3.44Å; S58-S60 PolarHBondContact O-N 2.85Å; S58-S60 PolarHBondContact OG-O 2.79Å
59E76.2Confident88.1Confident209 Ų20953.6 Ų53.698%0.97727%0.272SS*.SBendtrans-58.7-37.4172.4-72.3-174.496.600111.3
60S80.5Confident88.1Confident71 Ų7154.4 Ų54.450%0.49728%0.276SS..SBendtrans-97.198.8165.7-62.20000108.1S58 D62 Y63S58-S60 WeakPolarHBondContact CB-O 3.44Å; S58-S60 PolarHBondContact O-N 2.85Å; S58-S60 PolarHBondContact OG-O 2.79Å; S60-D62 VanDerWaalsContact C-N 3.3Å; S60-D62 PolarHBondContact O-N 2.84Å; S60-Y63 VanDerWaalsContact O-CD1 3.26Å; S60-Y63 WeakPolarHBondContact O-CD1 3.48Å
61I85.3Confident87.9Confident79 Ų7959.6 Ų59.641%0.40530%0.298SS..SBendtrans-55-50.2-179-62173.5000110H54 N55 E56H54-I61 CarbonylContact C-O 3.44Å; H54-I61 WeakPolarHBondContact CA-O 3.31Å; H54-I61 WeakPolarHBondContact CE1-CG2 3.29Å; N55-I61 PolarHBondContact N-O 2.84Å; N55-I61 WeakPolarHBondContact O-CA 3.25Å; E56-I61 HydrophobicContact CG-CG2 4.23Å
62D88.7Confident87.9Confident110 Ų11063.9 Ų63.959%0.58833%0.333SS*.EExtended strand (participates in β ladder)trans-106.8123176.3-67.7-84.8000109.4V53 H54 S60V53-D62 WeakPolarHBondContact O-CA 3.25Å; H54-D62 IonicContact CE1-OD1 3.47Å; H54-D62 IonicContact CE1-OD2 3.57Å; H54-D62 PolarHBondContact CE1-OD2 3.15Å; H54-D62 IonicContact CG-OD1 3.46Å; H54-D62 IonicContact ND1-OD1 2.72Å; H54-D62 PolarHBondContact ND1-OD1 2.94Å; H54-D62 IonicContact ND1-OD2 3.84Å; H54-D62 PolarHBondContact ND1-OD2 3.42Å; S60-D62 VanDerWaalsContact C-N 3.3Å; S60-D62 PolarHBondContact O-N 2.84Å
63Y89.6Confident87.7Confident75 Ų7563.2 Ų63.229%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-144.6147.4175.662.3-82.4000111.6V53 N55 S60 V65V53-Y63 HydrophobicContact CB-CD1 4.35Å; V53-Y63 HydrophobicContact CB-CD2 4.19Å; V53-Y63 HydrophobicContact CB-CE1 4.01Å; V53-Y63 HydrophobicContact CB-CE2 3.81Å; V53-Y63 HydrophobicContact CB-CG 4.46Å; V53-Y63 HydrophobicContact CG1-CE1 3.78Å; V53-Y63 HydrophobicContact CG1-CE2 4.05Å; V53-Y63 VanDerWaalsContact CG1-CZ 3.48Å; V53-Y63 WeakPolarHBondContact CG1-OH 3.5Å; V53-Y63 HydrophobicContact CG2-CE2 4.11Å; V53-Y63 PolarHBondContact N-O 2.92Å; V53-Y63 PolarHBondContact O-N 2.75Å; N55-Y63 HydrophobicContact CB-CE1 4Å; S60-Y63 VanDerWaalsContact O-CD1 3.26Å; S60-Y63 WeakPolarHBondContact O-CD1 3.48Å; Y63-V65 HydrophobicContact CD2-CG2 3.56Å; Y63-V65 HydrophobicContact CE2-CG2 3.55Å
64T91.3Very high87.8Confident57 Ų5765.3 Ų65.335%0.3535%0.354SS..EExtended strand (participates in β ladder)trans-98.5133-179.7-49.50000109.8V50 L51 D52 L84V50-T64 HydrophobicContact CG1-CG2 3.19Å; L51-T64 CarbonylContact O-C 3.51Å; L51-T64 WeakPolarHBondContact O-CA 3.22Å; D52-T64 PolarHBondContact OD1-OG1 2.9Å; T64-L84 HydrophobicContact CG2-CD1 4.24Å
65V92.3Very high88Confident16 Ų1664.5 Ų64.510%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-123.5126176.1177.80000109.2L51 V53 Y63 I67 R77L51-V65 PolarHBondContact N-O 3.49Å; L51-V65 PolarHBondContact O-N 2.81Å; V53-V65 HydrophobicContact CG2-CG2 4.3Å; Y63-V65 HydrophobicContact CD2-CG2 3.56Å; Y63-V65 HydrophobicContact CE2-CG2 3.55Å; V65-I67 HydrophobicContact CG1-CD1 3.78Å; V65-I67 HydrophobicContact CG1-CG1 4.47Å; V65-R77 HydrophobicContact CG1-CB 4.06Å
66C93.6Very high88.5Confident0 Ų064.1 Ų64.10%035%0.346CS..EExtended strand (participates in β ladder)trans-85.8127.9167.1-167.30000109.9R77 T78 L84C66-R77 CarbonylContact O-C 3.54Å; C66-R77 VanDerWaalsContact O-CA 3.29Å; C66-R77 WeakPolarHBondContact O-CA 3.4Å; C66-T78 HydrophobicContact CB-CG2 3.83Å; C66-T78 PolarHBondContact N-O 3.33Å; C66-T78 PolarHBondContact O-N 2.79Å; C66-L84 HydrophobicContact CB-CD1 4.28Å; C66-L84 HydrophobicContact CB-CD2 3.68Å; C66-L84 HydrophobicContact CB-CG 3.85Å
67I93.5Very high89.1Confident0 Ų063.2 Ų63.20%034%0.338CS..EExtended strand (participates in β ladder)trans-106.7124.8169.5-56.4-58.5000108.3M23 T26 A29 Y48 A49 L51 V65 V69 K75 Y76 R77M23-I67 HydrophobicContact SD-CB 4.48Å; M23-I67 HydrophobicContact SD-CG2 3.96Å; T26-I67 HydrophobicContact CG2-CD1 3.76Å; T26-I67 HydrophobicContact CG2-CG1 4.27Å; A29-I67 HydrophobicContact CB-CD1 4.38Å; Y48-I67 CarbonylContact C-O 3.57Å; Y48-I67 WeakPolarHBondContact CA-O 3.09Å; Y48-I67 WeakPolarHBondContact CB-O 3.09Å; A49-I67 PolarHBondContact N-O 2.79Å; A49-I67 PolarHBondContact O-N 2.86Å; L51-I67 HydrophobicContact CD1-CD1 4.35Å; L51-I67 HydrophobicContact CD1-CG1 3.52Å; L51-I67 HydrophobicContact CG-CG1 4.15Å; V65-I67 HydrophobicContact CG1-CD1 3.78Å; V65-I67 HydrophobicContact CG1-CG1 4.47Å; I67-V69 HydrophobicContact CG2-CG2 4.41Å; I67-K75 HydrophobicContact CG2-CD 4.49Å; I67-Y76 CarbonylContact C-O 3.52Å; I67-Y76 VanDerWaalsContact CA-O 3.24Å; I67-Y76 WeakPolarHBondContact CA-O 3.49Å; I67-R77 HydrophobicContact CD1-CB 3.43Å; I67-R77 VanDerWaalsContact CD1-CB 3.43Å
68L93.4Very high89.7Confident0 Ų054 Ų540%030%0.299CS..EExtended strand (participates in β ladder)trans-109.6143172.3-52.998000109.1L32 L45 K75 Y76 T78 F83 L87 L103L32-L68 HydrophobicContact CD1-CD1 3.6Å; L45-L68 HydrophobicContact CD1-CB 3.79Å; L45-L68 HydrophobicContact CD1-CD2 3.76Å; L45-L68 HydrophobicContact CD1-CG 4.28Å; L68-K75 CarbonylContact O-C 3.52Å; L68-K75 WeakPolarHBondContact O-CA 3.47Å; L68-Y76 PolarHBondContact N-O 2.81Å; L68-Y76 PolarHBondContact O-N 2.76Å; L68-T78 HydrophobicContact CD1-CG2 4.29Å; L68-F83 HydrophobicContact CD1-CE1 3.79Å; L68-F83 HydrophobicContact CD1-CZ 3.85Å; L68-F83 HydrophobicContact CD2-CE1 3.98Å; L68-F83 HydrophobicContact CD2-CZ 3.72Å; L68-F83 HydrophobicContact CG-CE1 4.4Å; L68-F83 HydrophobicContact CG-CZ 4.43Å; L68-L87 HydrophobicContact CD2-CD1 4.28Å; L68-L87 HydrophobicContact CD2-CD2 3.93Å; L68-L103 HydrophobicContact CD2-CD2 3.7Å
69V93Very high90.3Very high9 Ų954.4 Ų54.46%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-123.4123.2175.3-176.70000108.4M23 D46 F47 I67 T74 K75M23-V69 HydrophobicContact CE-CG2 3.51Å; M23-V69 HydrophobicContact SD-CG2 4Å; D46-V69 WeakPolarHBondContact CB-O 3.42Å; D46-V69 PolarHBondContact N-O 2.95Å; F47-V69 HydrophobicContact CD1-CB 4.07Å; F47-V69 HydrophobicContact CD1-CG1 4.39Å; F47-V69 HydrophobicContact CE1-CB 3.74Å; F47-V69 HydrophobicContact CE1-CG1 3.71Å; F47-V69 HydrophobicContact CE1-CG2 4.3Å; F47-V69 HydrophobicContact CE2-CB 4.27Å; F47-V69 HydrophobicContact CE2-CG2 4.03Å; F47-V69 HydrophobicContact CG-CB 4.47Å; F47-V69 HydrophobicContact CZ-CB 3.86Å; F47-V69 HydrophobicContact CZ-CG1 3.98Å; F47-V69 HydrophobicContact CZ-CG2 3.89Å; F47-V69 PolarHBondContact N-O 2.77Å; F47-V69 PolarHBondContact O-N 3.17Å; I67-V69 HydrophobicContact CG2-CG2 4.41Å; V69-T74 WeakPolarHBondContact CA-O 3.44Å; V69-K75 HydrophobicContact CG2-CD 4.47Å; V69-K75 HydrophobicContact CG2-CG 3.9Å
70D93.2Very high90.9Very high17 Ų1745.4 Ų45.49%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-77.8167.5173.375.711.6000111.2I43 D44 A72 G73 T74 Y76I43-D70 HydrophobicContact CG2-CB 3.96Å; D44-D70 CarbonylContact O-C 3.51Å; D44-D70 WeakPolarHBondContact O-CA 3.22Å; D44-D70 WeakPolarHBondContact O-CB 3.41Å; D70-A72 PolarHBondContact O-N 3.49Å; D70-A72 WeakPolarHBondContact OD1-CA 3.29Å; D70-A72 VanDerWaalsContact OD1-CB 3.31Å; D70-A72 WeakPolarHBondContact OD1-CB 3.14Å; D70-A72 PolarHBondContact OD1-N 3.43Å; D70-G73 PolarHBondContact O-N 2.85Å; D70-G73 PolarHBondContact OD1-N 2.83Å; D70-T74 VanDerWaalsContact CG-CB 3.46Å; D70-T74 PolarHBondContact N-O 3.08Å; D70-T74 WeakPolarHBondContact OD1-CB 3.31Å; D70-T74 PolarHBondContact OD1-N 2.88Å; D70-T74 PolarHBondContact OD1-OG1 3.41Å; D70-T74 WeakPolarHBondContact OD2-CB 3.4Å; D70-T74 PolarHBondContact OD2-OG1 3.44Å; D70-Y76 HydrophobicContact CB-CE2 4.25Å
71K90Very high91.3Very high122 Ų12246.5 Ų46.553%0.5328%0.275SS..THydrogen-bonded Turntrans-63.4-19.1175.5-69.2-179.7-172.9145.60113.9D44 D46 G73D44-K71 PolarHBondContact O-N 3.42Å; D44-K71 WeakPolarHBondContact OD1-CD 3.42Å; D44-K71 VanDerWaalsContact OD1-CE 3.3Å; D44-K71 WeakPolarHBondContact OD1-CE 3.33Å; D44-K71 IonicContact OD1-NZ 2.72Å; D44-K71 PolarHBondContact OD1-NZ 3.02Å; D44-K71 IonicContact OD2-NZ 3.76Å; D46-K71 HydrophobicContact CB-CG 3.87Å; K71-G73 VanDerWaalsContact C-N 3.29Å
72A91.1Very high91.5Very high90 Ų9045.3 Ų45.374%0.74427%0.274SS*.THydrogen-bonded Turntrans-80.7-9.7173.600000112.9D70D70-A72 PolarHBondContact O-N 3.49Å; D70-A72 WeakPolarHBondContact OD1-CA 3.29Å; D70-A72 VanDerWaalsContact OD1-CB 3.31Å; D70-A72 WeakPolarHBondContact OD1-CB 3.14Å; D70-A72 PolarHBondContact OD1-N 3.43Å
73G87.7Confident91.7Very high49 Ų4940.1 Ų40.151%0.50525%0.246SC..  trans87.67.4-176.500000114.6D70 K71D70-G73 PolarHBondContact O-N 2.85Å; D70-G73 PolarHBondContact OD1-N 2.83Å; K71-G73 VanDerWaalsContact C-N 3.29Å
74T92.2Very high91.8Very high48 Ų4837.9 Ų37.929%0.29424%0.239SC..  trans-68.3129.5172.2-41.40000109.3L30 V69 D70 Y76L30-T74 HydrophobicContact CD1-CG2 3.78Å; V69-T74 WeakPolarHBondContact CA-O 3.44Å; D70-T74 VanDerWaalsContact CG-CB 3.46Å; D70-T74 PolarHBondContact N-O 3.08Å; D70-T74 WeakPolarHBondContact OD1-CB 3.31Å; D70-T74 PolarHBondContact OD1-N 2.88Å; D70-T74 PolarHBondContact OD1-OG1 3.41Å; D70-T74 WeakPolarHBondContact OD2-CB 3.4Å; D70-T74 PolarHBondContact OD2-OG1 3.44Å; T74-Y76 HydrophobicContact CG2-CD2 4.45Å; T74-Y76 HydrophobicContact CG2-CE1 4.26Å; T74-Y76 HydrophobicContact CG2-CE2 3.73Å
75K93.2Very high91.8Very high28 Ų2839.3 Ų39.312%0.12225%0.248CC..EExtended strand (participates in β ladder)trans-96.1135.1175-66.3-166.2-102.1164.90110R22 D25 A29 L30 I67 L68 V69R22-K75 PolarHBondContact O-NZ 2.82Å; D25-K75 PolarHBondContact O-NZ 2.77Å; D25-K75 IonicContact OD1-NZ 3.96Å; A29-K75 CarbonylContact C-O 3.49Å; A29-K75 VanDerWaalsContact CA-O 3.31Å; A29-K75 WeakPolarHBondContact CA-O 3.29Å; A29-K75 HydrophobicContact CB-CB 3.83Å; L30-K75 PolarHBondContact N-O 2.77Å; I67-K75 HydrophobicContact CG2-CD 4.49Å; L68-K75 CarbonylContact O-C 3.52Å; L68-K75 WeakPolarHBondContact O-CA 3.47Å; V69-K75 HydrophobicContact CG2-CD 4.47Å; V69-K75 HydrophobicContact CG2-CG 3.9Å
76Y94.6Very high91.8Very high27 Ų2739.3 Ų39.311%0.10625%0.25CS..EExtended strand (participates in β ladder)trans-120146.3172.7-60.1-87.8000109.4L30 L32 V35 V41 I43 I67 L68 D70 T74L30-Y76 HydrophobicContact CB-CD1 3.94Å; L30-Y76 HydrophobicContact CB-CE1 4.27Å; L30-Y76 HydrophobicContact CD1-CD1 4.39Å; L30-Y76 HydrophobicContact CD1-CE1 3.89Å; L30-Y76 CarbonylContact O-C 3.54Å; L30-Y76 VanDerWaalsContact O-CA 3.25Å; L30-Y76 WeakPolarHBondContact O-CA 3.5Å; L32-Y76 HydrophobicContact CD2-CD1 3.77Å; L32-Y76 HydrophobicContact CD2-CG 4.07Å; V35-Y76 HydrophobicContact CG2-CD1 4.44Å; V41-Y76 HydrophobicContact CG1-CE1 4.5Å; I43-Y76 HydrophobicContact CD1-CD1 4.41Å; I43-Y76 HydrophobicContact CD1-CD2 4.05Å; I43-Y76 HydrophobicContact CD1-CE2 4.37Å; I43-Y76 HydrophobicContact CD1-CG 4.07Å; I43-Y76 HydrophobicContact CG1-CD2 4.47Å; I43-Y76 HydrophobicContact CG1-CE2 4.32Å; I43-Y76 HydrophobicContact CG2-CD2 4.17Å; I43-Y76 HydrophobicContact CG2-CE2 4.08Å; I67-Y76 CarbonylContact C-O 3.52Å; I67-Y76 VanDerWaalsContact CA-O 3.24Å; I67-Y76 WeakPolarHBondContact CA-O 3.49Å; L68-Y76 PolarHBondContact N-O 2.81Å; L68-Y76 PolarHBondContact O-N 2.76Å; D70-Y76 HydrophobicContact CB-CE2 4.25Å; T74-Y76 HydrophobicContact CG2-CD2 4.45Å; T74-Y76 HydrophobicContact CG2-CE1 4.26Å; T74-Y76 HydrophobicContact CG2-CE2 3.73Å
77R93.7Very high91.8Very high78 Ų7839.4 Ų39.429%0.29425%0.25SS..EExtended strand (participates in β ladder)trans-127.8141.6177.268.5177.2-174.6-117.6-9.1111.6T26 A29 L30 L32 V65 C66 I67T26-R77 PolarHBondContact O-NH1 3.29Å; A29-R77 HydrophobicContact CB-CB 3.88Å; A29-R77 HydrophobicContact CB-CG 4.06Å; A29-R77 PolarHBondContact O-NH1 2.88Å; L30-R77 PolarHBondContact O-N 2.87Å; L32-R77 PolarHBondContact N-O 2.89Å; V65-R77 HydrophobicContact CG1-CB 4.06Å; C66-R77 CarbonylContact O-C 3.54Å; C66-R77 VanDerWaalsContact O-CA 3.29Å; C66-R77 WeakPolarHBondContact O-CA 3.4Å; I67-R77 HydrophobicContact CD1-CB 3.43Å; I67-R77 VanDerWaalsContact CD1-CB 3.43Å
78T93.4Very high91.6Very high8 Ų842 Ų425%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-147.8137.4171.8-177.50000110.9L32 C66 L68 S80 F83L32-T78 HydrophobicContact CD1-CG2 3.77Å; C66-T78 HydrophobicContact CB-CG2 3.83Å; C66-T78 PolarHBondContact N-O 3.33Å; C66-T78 PolarHBondContact O-N 2.79Å; L68-T78 HydrophobicContact CD1-CG2 4.29Å; T78-S80 WeakPolarHBondContact OG1-CB 3.4Å; T78-S80 PolarHBondContact OG1-N 2.91Å; T78-S80 VanDerWaalsContact OG1-N 3.17Å; T78-F83 HydrophobicContact CG2-CB 4.46Å; T78-F83 HydrophobicContact CG2-CD1 3.32Å; T78-F83 HydrophobicContact CG2-CE1 3.58Å; T78-F83 HydrophobicContact CG2-CG 3.89Å; T78-F83 HydrophobicContact CG2-CZ 4.31Å
79G90.7Very high91.5Very high49 Ų4947.9 Ų47.951%0.50529%0.292SS..  trans-98.610170.300000112.8P81G79-P81 VanDerWaalsContact O-CD 3.25Å; G79-P81 WeakPolarHBondContact O-CD 3.48Å
80S88.4Confident91.4Very high21 Ų2148.6 Ų48.615%0.14730%0.295CS..  trans-75118.9-175.4-174.70000111T78 S82 F83 L84T78-S80 WeakPolarHBondContact OG1-CB 3.4Å; T78-S80 PolarHBondContact OG1-N 2.91Å; T78-S80 VanDerWaalsContact OG1-N 3.17Å; S80-S82 VanDerWaalsContact C-N 3.34Å; S80-S82 PolarHBondContact O-N 2.86Å; S80-F83 PolarHBondContact O-N 2.76Å; S80-L84 PolarHBondContact O-N 3.29Å; S80-L84 VanDerWaalsContact O-N 3.14Å
81P87.6Confident91.2Very high93 Ų9349.6 Ų49.660%0.60430%0.3SS*.Hα-helixtrans-64.2-39.2178.3-21.433.8000112.2G79 F83 L84 T85G79-P81 VanDerWaalsContact O-CD 3.25Å; G79-P81 WeakPolarHBondContact O-CD 3.48Å; P81-F83 VanDerWaalsContact C-N 3.29Å; P81-F83 PolarHBondContact O-N 3.25Å; P81-L84 WeakPolarHBondContact O-CB 3.47Å; P81-L84 PolarHBondContact O-N 2.93Å; P81-L84 VanDerWaalsContact O-N 3.14Å; P81-T85 PolarHBondContact O-N 2.87Å; P81-T85 PolarHBondContact O-OG1 2.96Å
82S89.6Confident91.1Very high55 Ų5548.5 Ų48.539%0.38530%0.303SS..Hα-helixtrans-60.6-40.2178.4-51.40000112.1S80 A86S80-S82 VanDerWaalsContact C-N 3.34Å; S80-S82 PolarHBondContact O-N 2.86Å; S82-A86 WeakPolarHBondContact O-CB 3.43Å; S82-A86 PolarHBondContact O-N 3.49Å; S82-A86 VanDerWaalsContact O-N 3.11Å
83F93Very high91Very high0 Ų050.8 Ų50.80%030%0.303CS..Hα-helixtrans-64.4-45.1174.6178.1-83.4000111.5L32 L68 T78 S80 P81 T85 A86 L87 L103 V105 L119 C121L32-F83 HydrophobicContact CD1-CE1 4.28Å; L32-F83 HydrophobicContact CD1-CE2 3.89Å; L32-F83 HydrophobicContact CD1-CZ 3.73Å; L68-F83 HydrophobicContact CD1-CE1 3.79Å; L68-F83 HydrophobicContact CD1-CZ 3.85Å; L68-F83 HydrophobicContact CD2-CE1 3.98Å; L68-F83 HydrophobicContact CD2-CZ 3.72Å; L68-F83 HydrophobicContact CG-CE1 4.4Å; L68-F83 HydrophobicContact CG-CZ 4.43Å; T78-F83 HydrophobicContact CG2-CB 4.46Å; T78-F83 HydrophobicContact CG2-CD1 3.32Å; T78-F83 HydrophobicContact CG2-CE1 3.58Å; T78-F83 HydrophobicContact CG2-CG 3.89Å; T78-F83 HydrophobicContact CG2-CZ 4.31Å; S80-F83 PolarHBondContact O-N 2.76Å; P81-F83 VanDerWaalsContact C-N 3.29Å; P81-F83 PolarHBondContact O-N 3.25Å; F83-T85 PolarHBondContact O-N 3.11Å; F83-A86 PolarHBondContact O-N 3.14Å; F83-L87 HydrophobicContact CD1-CB 4.49Å; F83-L87 HydrophobicContact CE1-CB 4.23Å; F83-L87 HydrophobicContact CE1-CD2 3.94Å; F83-L87 VanDerWaalsContact O-CB 3.29Å; F83-L87 WeakPolarHBondContact O-CB 3.35Å; F83-L87 PolarHBondContact O-N 3.38Å; F83-L103 HydrophobicContact CE2-CD2 4.26Å; F83-L103 HydrophobicContact CZ-CD2 3.84Å; F83-V105 HydrophobicContact CD2-CG1 3.96Å; F83-V105 HydrophobicContact CE2-CB 4.21Å; F83-V105 HydrophobicContact CE2-CG1 3.6Å; F83-V105 HydrophobicContact CE2-CG2 3.64Å; F83-V105 HydrophobicContact CZ-CG2 4.21Å; F83-L119 HydrophobicContact CB-CB 4.35Å; F83-L119 PolarHBondContact N-O 3.34Å; F83-C121 HydrophobicContact CD2-CB 3.96Å; F83-C121 HydrophobicContact CE2-CB 3.57Å; F83-C121 HydrophobicContact CZ-CB 4.27Å
84L91.6Very high90.9Very high29 Ų2950.2 Ų50.215%0.15229%0.287CS..Hα-helixtrans-58.6-46.5178.4-94156.1000111.6V50 T64 C66 S80 P81 L87 D88V50-L84 HydrophobicContact CB-CD2 4.41Å; V50-L84 HydrophobicContact CG1-CD2 3.98Å; V50-L84 HydrophobicContact CG2-CD2 3.54Å; T64-L84 HydrophobicContact CG2-CD1 4.24Å; C66-L84 HydrophobicContact CB-CD1 4.28Å; C66-L84 HydrophobicContact CB-CD2 3.68Å; C66-L84 HydrophobicContact CB-CG 3.85Å; S80-L84 PolarHBondContact O-N 3.29Å; S80-L84 VanDerWaalsContact O-N 3.14Å; P81-L84 WeakPolarHBondContact O-CB 3.47Å; P81-L84 PolarHBondContact O-N 2.93Å; P81-L84 VanDerWaalsContact O-N 3.14Å; L84-L87 PolarHBondContact O-N 3.02Å; L84-D88 WeakPolarHBondContact O-CB 3.46Å; L84-D88 PolarHBondContact O-N 3.49Å
85T91.2Very high90.3Very high86 Ų8651.4 Ų51.453%0.52830%0.302SS..Hα-helixtrans-61-49.8176.9-55.40000111.6P81 F83 L87 D88 E89P81-T85 PolarHBondContact O-N 2.87Å; P81-T85 PolarHBondContact O-OG1 2.96Å; F83-T85 PolarHBondContact O-N 3.11Å; T85-L87 VanDerWaalsContact C-N 3.33Å; T85-L87 PolarHBondContact O-N 3.37Å; T85-D88 WeakPolarHBondContact O-CB 3.25Å; T85-D88 PolarHBondContact O-N 3.19Å; T85-E89 PolarHBondContact O-N 3.21Å; T85-E89 VanDerWaalsContact O-N 3.08Å
86A92.9Very high89.6Confident17 Ų1757.5 Ų57.514%0.1434%0.336CS..Hα-helixtrans-62.6-4018000000112.1S82 F83 D88 E89 I90S82-A86 WeakPolarHBondContact O-CB 3.43Å; S82-A86 PolarHBondContact O-N 3.49Å; S82-A86 VanDerWaalsContact O-N 3.11Å; F83-A86 PolarHBondContact O-N 3.14Å; A86-D88 VanDerWaalsContact C-N 3.34Å; A86-E89 PolarHBondContact O-N 2.96Å; A86-I90 WeakPolarHBondContact O-CD1 3.3Å; A86-I90 WeakPolarHBondContact O-CG1 3.44Å; A86-I90 PolarHBondContact O-N 3.14Å
87L93.1Very high88.8Confident1 Ų158 Ų581%0.00534%0.343CS..Hα-helixtrans-63.8-41.8175.7-178.768.6000111L45 Y48 L68 F83 L84 T85 I90 M91 L103 C121L45-L87 HydrophobicContact CD2-CD1 4.12Å; Y48-L87 HydrophobicContact CD1-CD2 4Å; Y48-L87 HydrophobicContact CD1-CG 4.42Å; Y48-L87 HydrophobicContact CD2-CD2 3.86Å; Y48-L87 HydrophobicContact CE1-CD2 4.38Å; Y48-L87 HydrophobicContact CE1-CG 4.48Å; Y48-L87 HydrophobicContact CE2-CD2 4.25Å; Y48-L87 HydrophobicContact CG-CD2 3.75Å; L68-L87 HydrophobicContact CD2-CD1 4.28Å; L68-L87 HydrophobicContact CD2-CD2 3.93Å; F83-L87 HydrophobicContact CD1-CB 4.49Å; F83-L87 HydrophobicContact CE1-CB 4.23Å; F83-L87 HydrophobicContact CE1-CD2 3.94Å; F83-L87 VanDerWaalsContact O-CB 3.29Å; F83-L87 WeakPolarHBondContact O-CB 3.35Å; F83-L87 PolarHBondContact O-N 3.38Å; L84-L87 PolarHBondContact O-N 3.02Å; T85-L87 VanDerWaalsContact C-N 3.33Å; T85-L87 PolarHBondContact O-N 3.37Å; L87-I90 PolarHBondContact O-N 3.34Å; L87-M91 HydrophobicContact CD1-CG 3.87Å; L87-M91 HydrophobicContact CD1-SD 4.47Å; L87-M91 HydrophobicContact CG-CG 4.06Å; L87-M91 VanDerWaalsContact O-CB 3.27Å; L87-M91 WeakPolarHBondContact O-CB 3.26Å; L87-M91 WeakPolarHBondContact O-CG 3.33Å; L87-M91 PolarHBondContact O-N 3.46Å; L87-L103 HydrophobicContact CD1-CD1 3.82Å; L87-L103 HydrophobicContact CD1-CD2 3.83Å; L87-C121 PolarHBondContact N-SG 3.28Å; L87-C121 VanDerWaalsContact N-SG 3.43Å
88D90.6Very high88Confident55 Ų5560.8 Ų60.829%0.29437%0.373SS..Hα-helixtrans-61.1-46.8179.4-142.3-109.5000111.5K10 L84 T85 A86 M91 V92K10-D88 WeakPolarHBondContact CE-OD2 3.42Å; K10-D88 IonicContact NZ-OD1 2.98Å; K10-D88 PolarHBondContact NZ-OD1 2.91Å; K10-D88 IonicContact NZ-OD2 2.62Å; K10-D88 PolarHBondContact NZ-OD2 3.07Å; L84-D88 WeakPolarHBondContact O-CB 3.46Å; L84-D88 PolarHBondContact O-N 3.49Å; T85-D88 WeakPolarHBondContact O-CB 3.25Å; T85-D88 PolarHBondContact O-N 3.19Å; A86-D88 VanDerWaalsContact C-N 3.34Å; D88-M91 PolarHBondContact O-N 2.71Å; D88-V92 VanDerWaalsContact O-CG2 3.29Å; D88-V92 WeakPolarHBondContact O-CG2 3.46Å; D88-V92 PolarHBondContact O-N 2.75Å
89E91.1Very high87.5Confident123 Ų12367.9 Ų67.958%0.57541%0.406SS*.Hα-helixtrans-59.3-51.2176.4-69.3-178.7111.800111T85 A86 M91 V92 D93T85-E89 PolarHBondContact O-N 3.21Å; T85-E89 VanDerWaalsContact O-N 3.08Å; A86-E89 PolarHBondContact O-N 2.96Å; E89-M91 VanDerWaalsContact C-N 3.31Å; E89-M91 PolarHBondContact O-N 3.46Å; E89-V92 PolarHBondContact O-N 2.95Å; E89-D93 PolarHBondContact O-N 2.94Å
90I91.4Very high87.2Confident25 Ų2570.5 Ų70.513%0.12842%0.423CS..Hα-helixtrans-57.6-45.1177.8-68164.9000110.8A86 L87 V92 D93 M94 W101 L103 V123A86-I90 WeakPolarHBondContact O-CD1 3.3Å; A86-I90 WeakPolarHBondContact O-CG1 3.44Å; A86-I90 PolarHBondContact O-N 3.14Å; L87-I90 PolarHBondContact O-N 3.34Å; I90-V92 VanDerWaalsContact C-N 3.32Å; I90-V92 PolarHBondContact O-N 3.13Å; I90-D93 PolarHBondContact O-N 3.01Å; I90-M94 HydrophobicContact CG2-CG 3.87Å; I90-M94 WeakPolarHBondContact O-CB 3.21Å; I90-M94 WeakPolarHBondContact O-CG 3.18Å; I90-M94 PolarHBondContact O-N 3.17Å; I90-W101 HydrophobicContact CG2-CH2 4.44Å; I90-W101 HydrophobicContact CG2-CZ3 4.32Å; I90-L103 HydrophobicContact CD1-CD1 4.12Å; I90-L103 HydrophobicContact CG2-CD1 4.44Å; I90-V123 HydrophobicContact CG2-CB 4.44Å
91M88.7Confident87.2Confident37 Ų3771.5 Ų71.518%0.18242%0.423CS..Hα-helixtrans-72.1-27.2-175.8-69.4-68.1-52.800112.8L45 Y48 L87 D88 E89 A95 W101L45-M91 HydrophobicContact CD2-CE 4.44Å; L45-M91 HydrophobicContact CD2-SD 3.65Å; Y48-M91 HydrophobicContact CD1-CE 4.13Å; Y48-M91 HydrophobicContact CD1-CG 4.07Å; Y48-M91 HydrophobicContact CD1-SD 4.33Å; Y48-M91 HydrophobicContact CE1-CB 3.94Å; Y48-M91 HydrophobicContact CE1-CE 3.85Å; Y48-M91 HydrophobicContact CE1-CG 3.46Å; Y48-M91 VanDerWaalsContact CE1-CG 3.46Å; Y48-M91 HydrophobicContact CE1-SD 4.15Å; L87-M91 HydrophobicContact CD1-CG 3.87Å; L87-M91 HydrophobicContact CD1-SD 4.47Å; L87-M91 HydrophobicContact CG-CG 4.06Å; L87-M91 VanDerWaalsContact O-CB 3.27Å; L87-M91 WeakPolarHBondContact O-CB 3.26Å; L87-M91 WeakPolarHBondContact O-CG 3.33Å; L87-M91 PolarHBondContact O-N 3.46Å; D88-M91 PolarHBondContact O-N 2.71Å; E89-M91 VanDerWaalsContact C-N 3.31Å; E89-M91 PolarHBondContact O-N 3.46Å; M91-A95 WeakPolarHBondContact O-CB 3.25Å; M91-A95 PolarHBondContact O-N 2.99Å; M91-A95 VanDerWaalsContact O-N 3.13Å; M91-W101 HydrophobicContact SD-CH2 3.57Å; M91-W101 VanDerWaalsContact SD-CH2 3.57Å; M91-W101 HydrophobicContact SD-CZ2 3.87Å
92V88Confident87.5Confident100 Ų10070.5 Ų70.561%0.60641%0.41SS*.Hα-helixtrans-68.7-46.5170.6168.20000110.4D88 E89 I90D88-V92 VanDerWaalsContact O-CG2 3.29Å; D88-V92 WeakPolarHBondContact O-CG2 3.46Å; D88-V92 PolarHBondContact O-N 2.75Å; E89-V92 PolarHBondContact O-N 2.95Å; I90-V92 VanDerWaalsContact C-N 3.32Å; I90-V92 PolarHBondContact O-N 3.13Å
93D87.4Confident87.6Confident137 Ų13767.9 Ų67.973%0.73339%0.392SS*.Hα-helixtrans-69.7-31.9178.6-77.8-57.6000112.8E89 I90E89-D93 PolarHBondContact O-N 2.94Å; I90-D93 PolarHBondContact O-N 3.01Å
94M85.9Confident87.7Confident37 Ų3770.5 Ų70.518%0.18240%0.404CS..THydrogen-bonded Turntrans-952.5-176.7-59.3-67.2-80.800113.8I90 D96 C97 W101 V123I90-M94 HydrophobicContact CG2-CG 3.87Å; I90-M94 WeakPolarHBondContact O-CB 3.21Å; I90-M94 WeakPolarHBondContact O-CG 3.18Å; I90-M94 PolarHBondContact O-N 3.17Å; M94-D96 PolarHBondContact O-N 2.99Å; M94-C97 HydrophobicContact CB-CB 4.19Å; M94-C97 HydrophobicContact CE-CB 4.04Å; M94-C97 WeakPolarHBondContact O-CB 3.13Å; M94-C97 PolarHBondContact O-N 3.1Å; M94-C97 HydrophobicContact SD-CB 4.06Å; M94-W101 HydrophobicContact CB-CZ2 4.19Å; M94-W101 HydrophobicContact CE-CB 3.64Å; M94-W101 HydrophobicContact CE-CD2 3.68Å; M94-W101 HydrophobicContact CE-CE3 4.44Å; M94-W101 HydrophobicContact CE-CG 3.27Å; M94-V123 HydrophobicContact CE-CG2 3.62Å; M94-V123 HydrophobicContact SD-CG2 4.43Å
95A79.5Confident87.8Confident74 Ų7469.1 Ų69.161%0.61240%0.397SS*.THydrogen-bonded Turntrans-57.5-35.1-175.700000113.6M91M91-A95 WeakPolarHBondContact O-CB 3.25Å; M91-A95 PolarHBondContact O-N 2.99Å; M91-A95 VanDerWaalsContact O-N 3.13Å
96D78.4Confident87.8Confident155 Ų15565.7 Ų65.783%0.82938%0.377SS*.THydrogen-bonded Turntrans-104.27.4178.6-71.9-80000112.9M94 C98M94-D96 PolarHBondContact O-N 2.99Å; D96-C98 PolarHBondContact O-N 2.65Å
97C78.7Confident87.7Confident39 Ų3967.5 Ų67.526%0.26438%0.38SS..  trans-74.8121.8-177.7-171.40000110.6M94 E99M94-C97 HydrophobicContact CB-CB 4.19Å; M94-C97 HydrophobicContact CE-CB 4.04Å; M94-C97 WeakPolarHBondContact O-CB 3.13Å; M94-C97 PolarHBondContact O-N 3.1Å; M94-C97 HydrophobicContact SD-CB 4.06Å; C97-E99 PolarHBondContact SG-N 3.42Å
98C77.3Confident87.3Confident135 Ų13573.6 Ų73.691%0.91240%0.403SS*.  trans-93.5-4.6175-650000112.9D96D96-C98 PolarHBondContact O-N 2.65Å
99E83.1Confident86.9Confident158 Ų15875.8 Ų75.874%0.73842%0.42SS*.SBendtrans-77.6148.4-179.4-59.7-177.587.500110.3C97 W101C97-E99 PolarHBondContact SG-N 3.42Å; E99-W101 VanDerWaalsContact O-CD1 3.3Å; E99-W101 PolarHBondContact O-N 2.62Å
100A83.4Confident86.1Confident104 Ų10471.2 Ų71.286%0.8640%0.402SS*.  trans-72.3123.9172.500000108.6
101W89.8Confident85Confident41 Ų4179.9 Ų79.916%0.15544%0.438CS..  trans-137.2156.7178.864.1-89.3000109.8L45 I90 M91 M94 E99 L103 V123L45-W101 HydrophobicContact CB-CH2 4.33Å; L45-W101 HydrophobicContact CD2-CH2 3.88Å; I90-W101 HydrophobicContact CG2-CH2 4.44Å; I90-W101 HydrophobicContact CG2-CZ3 4.32Å; M91-W101 HydrophobicContact SD-CH2 3.57Å; M91-W101 VanDerWaalsContact SD-CH2 3.57Å; M91-W101 HydrophobicContact SD-CZ2 3.87Å; M94-W101 HydrophobicContact CB-CZ2 4.19Å; M94-W101 HydrophobicContact CE-CB 3.64Å; M94-W101 HydrophobicContact CE-CD2 3.68Å; M94-W101 HydrophobicContact CE-CE3 4.44Å; M94-W101 HydrophobicContact CE-CG 3.27Å; E99-W101 VanDerWaalsContact O-CD1 3.3Å; E99-W101 PolarHBondContact O-N 2.62Å; W101-L103 HydrophobicContact CZ3-CB 4.1Å; W101-L103 HydrophobicContact CZ3-CD1 3.95Å; W101-V123 HydrophobicContact CB-CG2 3.76Å; W101-V123 HydrophobicContact CD2-CG2 4.23Å; W101-V123 HydrophobicContact CE3-CG2 3.89Å; W101-V123 HydrophobicContact CG-CG2 4.22Å
102Q91.9Very high84Confident73 Ų7385.2 Ų85.234%0.34147%0.467SS..  trans-124.1152.2173.3-59.5-173.2-50.700110.3V123 V124Q102-V123 WeakPolarHBondContact O-CA 3.42Å; Q102-V124 HydrophobicContact CB-CG2 3.98Å; Q102-V124 PolarHBondContact N-O 3.12Å; Q102-V124 PolarHBondContact O-N 3Å
103L93.3Very high82.8Confident0 Ų088.1 Ų88.10%047%0.469CS..EExtended strand (participates in β ladder)trans-92.2109.2173.3-16485.2000108.4I43 L68 F83 L87 I90 W101 V105 C121I43-L103 HydrophobicContact CB-CB 4.39Å; I43-L103 PolarHBondContact N-O 3.08Å; I43-L103 PolarHBondContact O-N 3.22Å; L68-L103 HydrophobicContact CD2-CD2 3.7Å; F83-L103 HydrophobicContact CE2-CD2 4.26Å; F83-L103 HydrophobicContact CZ-CD2 3.84Å; L87-L103 HydrophobicContact CD1-CD1 3.82Å; L87-L103 HydrophobicContact CD1-CD2 3.83Å; I90-L103 HydrophobicContact CD1-CD1 4.12Å; I90-L103 HydrophobicContact CG2-CD1 4.44Å; W101-L103 HydrophobicContact CZ3-CB 4.1Å; W101-L103 HydrophobicContact CZ3-CD1 3.95Å; L103-V105 HydrophobicContact CD2-CG2 4.05Å; L103-C121 HydrophobicContact CD1-CB 3.84Å; L103-C121 HydrophobicContact CD2-CB 3.91Å; L103-C121 HydrophobicContact CG-CB 3.78Å
104E94.3Very high81.5Confident54 Ų5491.8 Ų91.825%0.25248%0.478SS..EExtended strand (participates in β ladder)trans-82120.7167.9-173-172.384.700109.2P40 V41 L42 C121 S122 V124P40-E104 HydrophobicContact CB-CG 3.98Å; V41-E104 WeakPolarHBondContact O-CA 3.29Å; L42-E104 HydrophobicContact CD2-CB 3.7Å; L42-E104 HydrophobicContact CD2-CG 3.87Å; E104-C121 CarbonylContact O-C 3.56Å; E104-C121 WeakPolarHBondContact O-CA 3.19Å; E104-S122 PolarHBondContact N-O 3.39Å; E104-S122 PolarHBondContact O-N 3.46Å; E104-V124 HydrophobicContact CB-CG1 3.97Å; E104-V124 HydrophobicContact CB-CG2 4.18Å
105V94.4Very high80.7Confident0 Ų094 Ų940%051%0.511CS..EExtended strand (participates in β ladder)trans-102.6119.8172.9-170.50000108.7L32 T36 P40 V41 I43 F83 L103 L119 T120L32-V105 HydrophobicContact CD1-CG1 4.2Å; L32-V105 HydrophobicContact CD1-CG2 4.36Å; L32-V105 HydrophobicContact CD2-CB 4.44Å; L32-V105 HydrophobicContact CD2-CG1 4.32Å; L32-V105 HydrophobicContact CD2-CG2 4.26Å; T36-V105 HydrophobicContact CG2-CB 4.23Å; T36-V105 HydrophobicContact CG2-CG1 3.84Å; P40-V105 CarbonylContact C-O 3.52Å; P40-V105 VanDerWaalsContact CA-O 3.29Å; P40-V105 WeakPolarHBondContact CA-O 3.49Å; V41-V105 PolarHBondContact N-O 3.29Å; V41-V105 PolarHBondContact O-N 3.01Å; I43-V105 HydrophobicContact CD1-CG2 3.55Å; I43-V105 HydrophobicContact CG1-CG2 4.24Å; F83-V105 HydrophobicContact CD2-CG1 3.96Å; F83-V105 HydrophobicContact CE2-CB 4.21Å; F83-V105 HydrophobicContact CE2-CG1 3.6Å; F83-V105 HydrophobicContact CE2-CG2 3.64Å; F83-V105 HydrophobicContact CZ-CG2 4.21Å; L103-V105 HydrophobicContact CD2-CG2 4.05Å; V105-L119 HydrophobicContact CG1-CD2 3.47Å; V105-L119 VanDerWaalsContact CG1-CD2 3.47Å; V105-T120 WeakPolarHBondContact CA-O 3.24Å
106S91.3Very high80.5Confident14 Ų1497.6 Ų97.610%0.09851%0.512CS..EExtended strand (participates in β ladder)trans-133.3152.4-179.157.40000112T120S106-T120 PolarHBondContact N-O 2.85Å; S106-T120 PolarHBondContact O-N 3.32Å
107R90Very high80.6Confident55 Ų5595.9 Ų95.921%0.20850%0.499CS..EExtended strand (participates in β ladder)trans-85.6125.7169.6-71.1174.5172.4-125.7-4.1108.6D33 T36 E117D33-R107 VanDerWaalsContact C-NH2 3.29Å; D33-R107 PolarHBondContact O-NH2 2.98Å; D33-R107 IonicContact OD1-CZ 3.49Å; D33-R107 IonicContact OD1-NH2 3.74Å; D33-R107 PolarHBondContact OD1-NH2 3.42Å; D33-R107 IonicContact OD2-NH2 3.19Å; D33-R107 PolarHBondContact OD2-NH2 3.27Å; T36-R107 WeakPolarHBondContact OG1-CG 3.43Å; T36-R107 PolarHBondContact OG1-NE 3.05Å; R107-E117 IonicContact NH1-OE2 2.71Å; R107-E117 PolarHBondContact NH1-OE2 3.49Å
108R85.2Confident80.9Confident130 Ų13097.2 Ų97.249%0.49150%0.501SS..EExtended strand (participates in β ladder)trans-113.3137.4172.4-72.9-161.8-179.9-178.81.8110.9S110 E117 F118 T120R108-S110 PolarHBondContact O-N 3.14Å; R108-E117 WeakPolarHBondContact O-CA 3.45Å; R108-F118 HydrophobicContact CB-CD1 4.5Å; R108-F118 HydrophobicContact CB-CE1 3.85Å; R108-F118 HydrophobicContact CB-CE2 4.15Å; R108-F118 HydrophobicContact CB-CZ 3.67Å; R108-F118 PolarHBondContact N-O 3.46Å; R108-F118 WeakPolarHBondContact O-CD1 3.19Å; R108-F118 WeakPolarHBondContact O-CE1 3.38Å; R108-F118 PolarHBondContact O-N 2.72Å; R108-T120 HydrophobicContact CB-CG2 4.32Å; R108-T120 HydrophobicContact CG-CG2 3.77Å
109P81.3Confident81.5Confident100 Ų10091.1 Ų91.165%0.64946%0.459SS*.EExtended strand (participates in β ladder)trans-67.6132171.226.5-31.6000109.5K111P109-K111 PolarHBondContact O-N 3.35Å
110S74.2Confident81.9Confident28 Ų2884.6 Ų84.620%0.19643%0.43CS..  trans-67.8121.8175.7-171.30000110.5R108 N112 Y113 K116R108-S110 PolarHBondContact O-N 3.14Å; S110-N112 PolarHBondContact O-N 3Å; S110-Y113 CarbonylContact O-C 3.58Å; S110-Y113 PolarHBondContact OG-N 3.42Å; S110-K116 WeakPolarHBondContact CB-O 3.4Å; S110-K116 PolarHBondContact N-O 3.47Å
111K69.4Low82.4Confident207 Ų20779.9 Ų79.990%0.939%0.391SS*.SBendtrans-63.3-31.1172.4-74.6-175.5178.2177.60112.2P109P109-K111 PolarHBondContact O-N 3.35Å
112N66.8Low82.5Confident148 Ų14879.7 Ų79.779%0.79140%0.396SS*.SBendtrans-86.8-28.6-176.4-72.8-40.5000113.1S110S110-N112 PolarHBondContact O-N 3Å
113Y63.5Low82.4Confident161 Ų16179.5 Ų79.563%0.63140%0.399SS*.SBendtrans-123.589.2-179.6-70.9-86.9000110S110 G115 K116S110-Y113 CarbonylContact O-C 3.58Å; S110-Y113 PolarHBondContact OG-N 3.42Å; Y113-G115 PolarHBondContact O-N 2.88Å; Y113-G115 VanDerWaalsContact O-N 3.12Å; Y113-K116 PolarHBondContact O-N 2.89Å
114K59.7Low82.2Confident215 Ų21584.6 Ų84.694%0.93543%0.43SS*.THydrogen-bonded Turntrans-50.5119.7176.5-79.2-174176.2-178.40110.3
115G69.9Low81.6Confident84 Ų8486.1 Ų86.187%0.86644%0.439SS*.THydrogen-bonded Turntrans93.6-3.917800000115.6Y113Y113-G115 PolarHBondContact O-N 2.88Å; Y113-G115 VanDerWaalsContact O-N 3.12Å
116K73.7Confident80.9Confident148 Ų14890.6 Ų90.664%0.64346%0.462SS*.  trans-100.7126.4169.7-76.6-167.9173.5-173.90110.7S110 Y113S110-K116 WeakPolarHBondContact CB-O 3.4Å; S110-K116 PolarHBondContact N-O 3.47Å; Y113-K116 PolarHBondContact O-N 2.89Å
117E82.2Confident80.4Confident119 Ų11994.9 Ų94.956%0.55648%0.482SS*.EExtended strand (participates in β ladder)trans-91.4148.5170.7-56.4-17811600109.2R107 R108R107-E117 IonicContact NH1-OE2 2.71Å; R107-E117 PolarHBondContact NH1-OE2 3.49Å; R108-E117 WeakPolarHBondContact O-CA 3.45Å
118F84.8Confident79.8Confident68 Ų6897.2 Ų97.230%0.29850%0.499SS..EExtended strand (participates in β ladder)trans-128.2146.7170.765.3-82.8000109.6R108 T120R108-F118 HydrophobicContact CB-CD1 4.5Å; R108-F118 HydrophobicContact CB-CE1 3.85Å; R108-F118 HydrophobicContact CB-CE2 4.15Å; R108-F118 HydrophobicContact CB-CZ 3.67Å; R108-F118 PolarHBondContact N-O 3.46Å; R108-F118 WeakPolarHBondContact O-CD1 3.19Å; R108-F118 WeakPolarHBondContact O-CE1 3.38Å; R108-F118 PolarHBondContact O-N 2.72Å; F118-T120 HydrophobicContact CE2-CG2 4.44Å
119L90.2Very high79.5Confident7 Ų795.2 Ų95.24%0.03750%0.499CS..EExtended strand (participates in β ladder)trans-75.2134.5170.5-91.9142.2000109.8L32 D33 T36 F83 V105L32-L119 HydrophobicContact CB-CD2 4.11Å; D33-L119 HydrophobicContact CB-CD1 4.05Å; D33-L119 WeakPolarHBondContact OD2-CD1 3.1Å; T36-L119 HydrophobicContact CG2-CD2 3.94Å; F83-L119 HydrophobicContact CB-CB 4.35Å; F83-L119 PolarHBondContact N-O 3.34Å; V105-L119 HydrophobicContact CG1-CD2 3.47Å; V105-L119 VanDerWaalsContact CG1-CD2 3.47Å
120T90.9Very high79.3Confident21 Ų2194.9 Ų94.913%0.12949%0.489CS..EExtended strand (participates in β ladder)trans-138.2162.6171.4-166.90000109.3V105 S106 R108 F118V105-T120 WeakPolarHBondContact CA-O 3.24Å; S106-T120 PolarHBondContact N-O 2.85Å; S106-T120 PolarHBondContact O-N 3.32Å; R108-T120 HydrophobicContact CB-CG2 4.32Å; R108-T120 HydrophobicContact CG-CG2 3.77Å; F118-T120 HydrophobicContact CE2-CG2 4.44Å
121C93.1Very high79.7Confident4 Ų499.6 Ų99.63%0.02751%0.51CS..EExtended strand (participates in β ladder)trans-121.8161.9168.649.40000112F83 L87 L103 E104F83-C121 HydrophobicContact CD2-CB 3.96Å; F83-C121 HydrophobicContact CE2-CB 3.57Å; F83-C121 HydrophobicContact CZ-CB 4.27Å; L87-C121 PolarHBondContact N-SG 3.28Å; L87-C121 VanDerWaalsContact N-SG 3.43Å; L103-C121 HydrophobicContact CD1-CB 3.84Å; L103-C121 HydrophobicContact CD2-CB 3.91Å; L103-C121 HydrophobicContact CG-CB 3.78Å; E104-C121 CarbonylContact O-C 3.56Å; E104-C121 WeakPolarHBondContact O-CA 3.19Å
122S92.1Very high80.5Confident37 Ų3791.4 Ų91.426%0.25948%0.48SS..EExtended strand (participates in β ladder)trans-149.4149.9173.6-63.80000109.3E104E104-S122 PolarHBondContact N-O 3.39Å; E104-S122 PolarHBondContact O-N 3.46Å
123V90.5Very high81.6Confident69 Ų6986.7 Ų86.742%0.41845%0.454SS..EExtended strand (participates in β ladder)trans-78.5137172.864.90000109.9I90 M94 W101 Q102I90-V123 HydrophobicContact CG2-CB 4.44Å; M94-V123 HydrophobicContact CE-CG2 3.62Å; M94-V123 HydrophobicContact SD-CG2 4.43Å; W101-V123 HydrophobicContact CB-CG2 3.76Å; W101-V123 HydrophobicContact CD2-CG2 4.23Å; W101-V123 HydrophobicContact CE3-CG2 3.89Å; W101-V123 HydrophobicContact CG-CG2 4.22Å; Q102-V123 WeakPolarHBondContact O-CA 3.42Å
124V89Confident83.3Confident107 Ų10779.9 Ų79.965%0.64844%0.438SS*.  trans-133.80173.3-63.40000112.2L42 Q102 E104L42-V124 HydrophobicContact CD2-CG2 3.63Å; Q102-V124 HydrophobicContact CB-CG2 3.98Å; Q102-V124 PolarHBondContact N-O 3.12Å; Q102-V124 PolarHBondContact O-N 3Å; E104-V124 HydrophobicContact CB-CG1 3.97Å; E104-V124 HydrophobicContact CB-CG2 4.18Å

Retrieved 124 of 124 residues in 27.2 ms (Link to these results)

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