A0A077ZLL5_TRITR Loading...

Integrase zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLL5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 121 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
1M71.8Confident93.1Very high180 Ų18071.5 Ų71.589%0.88737%0.372SS*.  0140.60-71.3177.966.400109V3 D4M1-V3 PolarHBondContact O-N 2.8Å; M1-D4 PolarHBondContact O-N 2.8Å
2V90Very high93.4Very high111 Ų11172.9 Ų72.967%0.67338%0.375SS*.Hα-helixtrans-53.8-37.4-177.6177.60000112.7D4 L5 L6V2-D4 VanDerWaalsContact C-N 3.3Å; V2-D4 PolarHBondContact O-N 3.12Å; V2-L5 PolarHBondContact O-N 2.96Å; V2-L6 HydrophobicContact CG1-CD1 4.18Å; V2-L6 HydrophobicContact CG1-CG 4.38Å; V2-L6 PolarHBondContact O-N 3.12Å; V2-L6 VanDerWaalsContact O-N 3.07Å
3V93.8Very high93.7Very high41 Ų4178.6 Ų78.625%0.24840%0.395CS..Hα-helixtrans-57.1-40.3177.6-177.60000112.6M1 L5 L6 V7 I32 T38M1-V3 PolarHBondContact O-N 2.8Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.16Å; V3-L6 PolarHBondContact O-N 3.41Å; V3-V7 HydrophobicContact CG1-CG2 4.37Å; V3-V7 VanDerWaalsContact O-CG2 3.27Å; V3-V7 WeakPolarHBondContact O-CG2 3.3Å; V3-V7 PolarHBondContact O-N 3.35Å; V3-I32 HydrophobicContact CG1-CD1 3.93Å; V3-I32 HydrophobicContact CG1-CG1 4.18Å; V3-I32 HydrophobicContact CG1-CG2 3.64Å; V3-T38 HydrophobicContact CG1-CG2 3.91Å
4D95.1Very high93.8Very high39 Ų3974.9 Ų74.921%0.20938%0.376CS..Hα-helixtrans-66.8-37.5-178.4-75.412.9000111.3M1 V2 K8 R41 I42M1-D4 PolarHBondContact O-N 2.8Å; V2-D4 VanDerWaalsContact C-N 3.3Å; V2-D4 PolarHBondContact O-N 3.12Å; D4-K8 VanDerWaalsContact O-CB 3.29Å; D4-K8 WeakPolarHBondContact O-CB 3.5Å; D4-K8 PolarHBondContact O-N 3.43Å; D4-R41 VanDerWaalsContact CG-NH2 3.33Å; D4-R41 IonicContact OD1-CZ 3.51Å; D4-R41 IonicContact OD1-NH1 2.91Å; D4-R41 IonicContact OD1-NH2 3.15Å; D4-R41 PolarHBondContact OD1-NH2 3.17Å; D4-R41 IonicContact OD2-CZ 3.76Å; D4-R41 IonicContact OD2-NH1 3.86Å; D4-R41 PolarHBondContact OD2-NH1 3.23Å; D4-R41 IonicContact OD2-NH2 2.76Å; D4-R41 PolarHBondContact OD2-NH2 3.2Å; D4-R41 VanDerWaalsContact OD2-NH2 3.15Å; D4-I42 HydrophobicContact CB-CD1 3.87Å
5L95.6Very high94Very high125 Ų12580.9 Ų80.965%0.65441%0.405SS*.Hα-helixtrans-68.7-41.2175.9-65.1176.3000111.6V2 V3 K8 N9V2-L5 PolarHBondContact O-N 2.96Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.16Å; L5-K8 PolarHBondContact O-N 3.37Å; L5-N9 VanDerWaalsContact O-CB 3.28Å; L5-N9 WeakPolarHBondContact O-CB 3.18Å; L5-N9 PolarHBondContact O-N 3.16Å
6L95.2Very high94.2Very high75 Ų7578.8 Ų78.839%0.39339%0.393SS..Hα-helixtrans-60.3-47.6176.1-72.2172.4000111.6V2 V3 Q10V2-L6 HydrophobicContact CG1-CD1 4.18Å; V2-L6 HydrophobicContact CG1-CG 4.38Å; V2-L6 PolarHBondContact O-N 3.12Å; V2-L6 VanDerWaalsContact O-N 3.07Å; V3-L6 PolarHBondContact O-N 3.41Å; L6-Q10 WeakPolarHBondContact O-CB 3.39Å; L6-Q10 PolarHBondContact O-N 3.5Å
7V96.4Very high94.2Very high0 Ų075.4 Ų75.40%038%0.381CS..Hα-helixtrans-64.4-42.9178.6173.70000111.1V3 Q10 N11 L26 I32 T38 V39 I42V3-V7 HydrophobicContact CG1-CG2 4.37Å; V3-V7 VanDerWaalsContact O-CG2 3.27Å; V3-V7 WeakPolarHBondContact O-CG2 3.3Å; V3-V7 PolarHBondContact O-N 3.35Å; V7-Q10 PolarHBondContact O-N 2.91Å; V7-N11 WeakPolarHBondContact O-CB 3.2Å; V7-N11 PolarHBondContact O-N 3.41Å; V7-L26 HydrophobicContact CB-CD1 4.42Å; V7-L26 HydrophobicContact CG2-CD1 3.8Å; V7-I32 HydrophobicContact CG2-CD1 4.36Å; V7-T38 HydrophobicContact CG2-CG2 4.35Å; V7-V39 HydrophobicContact CG1-CB 4.27Å; V7-V39 HydrophobicContact CG1-CG1 4.35Å; V7-V39 HydrophobicContact CG1-CG2 4.02Å; V7-V39 HydrophobicContact CG2-CG2 4.15Å; V7-I42 HydrophobicContact CB-CB 4.41Å; V7-I42 HydrophobicContact CB-CG1 4.22Å; V7-I42 HydrophobicContact CB-CG2 4.34Å; V7-I42 HydrophobicContact CG1-CB 3.59Å; V7-I42 HydrophobicContact CG1-CG1 3.86Å; V7-I42 HydrophobicContact CG1-CG2 3.72Å
8K96.6Very high94.3Very high109 Ų10973.8 Ų73.847%0.47439%0.386SS..Hα-helixtrans-62-50.4178-178.4179.2171.6-174.50111.4D4 L5 Q10 N11 E12 I42D4-K8 VanDerWaalsContact O-CB 3.29Å; D4-K8 WeakPolarHBondContact O-CB 3.5Å; D4-K8 PolarHBondContact O-N 3.43Å; L5-K8 PolarHBondContact O-N 3.37Å; K8-Q10 VanDerWaalsContact C-N 3.29Å; K8-Q10 PolarHBondContact O-N 3.13Å; K8-N11 PolarHBondContact O-N 3.3Å; K8-N11 VanDerWaalsContact O-N 3.16Å; K8-E12 WeakPolarHBondContact CE-OE1 3.37Å; K8-E12 IonicContact NZ-OE1 3.9Å; K8-E12 WeakPolarHBondContact O-CG 3.3Å; K8-E12 PolarHBondContact O-N 3.32Å; K8-I42 HydrophobicContact CB-CG2 4.09Å
9N96.8Very high94.4Very high71 Ų7171.4 Ų71.438%0.3838%0.375SS..Hα-helixtrans-58.8-40.4176.9175.663.3000111.8L5 E12 K13L5-N9 VanDerWaalsContact O-CB 3.28Å; L5-N9 WeakPolarHBondContact O-CB 3.18Å; L5-N9 PolarHBondContact O-N 3.16Å; N9-E12 PolarHBondContact O-N 3.45Å; N9-K13 WeakPolarHBondContact O-CB 3.33Å; N9-K13 WeakPolarHBondContact O-CG 3.4Å; N9-K13 PolarHBondContact O-N 3.29Å
10Q96.2Very high94.5Very high34 Ų3472.8 Ų72.816%0.15938%0.379CS..Hα-helixtrans-65.9-42.4176.1-17162.125.300112.3L6 V7 K8 E12 K13 Q14 T22 L26L6-Q10 WeakPolarHBondContact O-CB 3.39Å; L6-Q10 PolarHBondContact O-N 3.5Å; V7-Q10 PolarHBondContact O-N 2.91Å; K8-Q10 VanDerWaalsContact C-N 3.29Å; K8-Q10 PolarHBondContact O-N 3.13Å; Q10-E12 VanDerWaalsContact C-N 3.34Å; Q10-E12 PolarHBondContact O-N 2.82Å; Q10-K13 PolarHBondContact O-N 3.13Å; Q10-Q14 WeakPolarHBondContact O-CB 3.3Å; Q10-Q14 VanDerWaalsContact O-CG 3.24Å; Q10-Q14 WeakPolarHBondContact O-CG 3.49Å; Q10-Q14 PolarHBondContact O-N 3.2Å; Q10-Q14 VanDerWaalsContact O-N 3.13Å; Q10-T22 HydrophobicContact CB-CG2 4.22Å; Q10-T22 HydrophobicContact CG-CG2 4.05Å; Q10-L26 HydrophobicContact CB-CD2 3.84Å; Q10-L26 HydrophobicContact CB-CG 4.22Å; Q10-L26 HydrophobicContact CG-CD2 3.98Å; Q10-L26 HydrophobicContact CG-CG 3.98Å
11N96.3Very high94.6Very high2 Ų274.4 Ų74.41%0.01139%0.385CS..Hα-helixtrans-61.4-41.9175.7-179.1-107.1000111.9V7 K8 Q14 H16 A17 T22V7-N11 WeakPolarHBondContact O-CB 3.2Å; V7-N11 PolarHBondContact O-N 3.41Å; K8-N11 PolarHBondContact O-N 3.3Å; K8-N11 VanDerWaalsContact O-N 3.16Å; N11-Q14 PolarHBondContact O-N 3.16Å; N11-H16 WeakPolarHBondContact O-CA 3.2Å; N11-H16 PolarHBondContact O-N 3.44Å; N11-H16 PolarHBondContact OD1-ND1 2.97Å; N11-H16 VanDerWaalsContact OD1-ND1 3.07Å; N11-A17 PolarHBondContact ND2-O 3.4Å; N11-T22 HydrophobicContact CB-CG2 4.38Å
12E97.1Very high95.8Very high88 Ų8865.8 Ų65.841%0.41134%0.342SS..Hα-helixtrans-66.3-45.1177.8-72.8171.2176.200111.9K8 N9 Q10 Q14 M15K8-E12 WeakPolarHBondContact CE-OE1 3.37Å; K8-E12 IonicContact NZ-OE1 3.9Å; K8-E12 WeakPolarHBondContact O-CG 3.3Å; K8-E12 PolarHBondContact O-N 3.32Å; N9-E12 PolarHBondContact O-N 3.45Å; Q10-E12 VanDerWaalsContact C-N 3.34Å; Q10-E12 PolarHBondContact O-N 2.82Å; E12-Q14 PolarHBondContact O-N 3.18Å; E12-M15 PolarHBondContact O-N 2.74Å; E12-M15 VanDerWaalsContact O-N 3.11Å
13K96.6Very high96.2Very high147 Ų14760.6 Ų60.664%0.63931%0.311SS*.Hα-helixtrans-60.4-28.7175.2-76.5-178178.1-171.20113.6N9 Q10 M15N9-K13 WeakPolarHBondContact O-CB 3.33Å; N9-K13 WeakPolarHBondContact O-CG 3.4Å; N9-K13 PolarHBondContact O-N 3.29Å; Q10-K13 PolarHBondContact O-N 3.13Å; K13-M15 VanDerWaalsContact C-N 3.3Å
14Q95.6Very high96.3Very high27 Ų2761.1 Ų61.113%0.12632%0.32CS..THydrogen-bonded Turntrans-93.620.6179.2-67176.3-29.700113.1Q10 N11 E12 H16 A17 H21 T22 T25Q10-Q14 WeakPolarHBondContact O-CB 3.3Å; Q10-Q14 VanDerWaalsContact O-CG 3.24Å; Q10-Q14 WeakPolarHBondContact O-CG 3.49Å; Q10-Q14 PolarHBondContact O-N 3.2Å; Q10-Q14 VanDerWaalsContact O-N 3.13Å; N11-Q14 PolarHBondContact O-N 3.16Å; E12-Q14 PolarHBondContact O-N 3.18Å; Q14-H16 PolarHBondContact O-N 2.9Å; Q14-A17 HydrophobicContact CB-CB 3.84Å; Q14-A17 WeakPolarHBondContact O-CB 3.3Å; Q14-A17 PolarHBondContact O-N 3.45Å; Q14-H21 VanDerWaalsContact CD-CD2 3.46Å; Q14-H21 PolarHBondContact NE2-CD2 2.99Å; Q14-T22 PolarHBondContact OE1-OG1 3.2Å; Q14-T25 PolarHBondContact NE2-OG1 3.33Å
15M97Very high96.4Very high165 Ų16560.6 Ų60.681%0.81332%0.318SS*.THydrogen-bonded Turntrans54.142.9178.7-56.7-62.2-70.500112.4E12 K13 A17E12-M15 PolarHBondContact O-N 2.74Å; E12-M15 VanDerWaalsContact O-N 3.11Å; K13-M15 VanDerWaalsContact C-N 3.3Å; M15-A17 PolarHBondContact O-N 3.18Å
16H96.9Very high96.3Very high46 Ų4655.2 Ų55.221%0.21329%0.289CS..THydrogen-bonded Turntrans6434.4178.4-59.7-66000115.4N11 Q14 C46 I48N11-H16 WeakPolarHBondContact O-CA 3.2Å; N11-H16 PolarHBondContact O-N 3.44Å; N11-H16 PolarHBondContact OD1-ND1 2.97Å; N11-H16 VanDerWaalsContact OD1-ND1 3.07Å; Q14-H16 PolarHBondContact O-N 2.9Å; H16-C46 PolarHBondContact ND1-SG 3.4Å; H16-I48 HydrophobicContact CB-CG2 4.32Å; H16-I48 WeakPolarHBondContact CD2-CG2 3.21Å; H16-I48 WeakPolarHBondContact NE2-CD1 3.2Å
17A95.3Very high96.4Very high22 Ų2258.6 Ų58.618%0.18230%0.297CS..  trans-54.8156.4174.600000113.7N11 Q14 M15 H21 T22N11-A17 PolarHBondContact ND2-O 3.4Å; Q14-A17 HydrophobicContact CB-CB 3.84Å; Q14-A17 WeakPolarHBondContact O-CB 3.3Å; Q14-A17 PolarHBondContact O-N 3.45Å; M15-A17 PolarHBondContact O-N 3.18Å; A17-H21 HydrophobicContact CB-CB 3.92Å; A17-H21 WeakPolarHBondContact CB-CD2 3.44Å; A17-T22 PolarHBondContact O-OG1 3.09Å
18G95.2Very high96.3Very high46 Ų4665.4 Ų65.447%0.47433%0.329SS..  trans-64.4167.5179.900000113.8E20 H21 T22G18-E20 VanDerWaalsContact C-N 3.29Å; G18-E20 PolarHBondContact O-N 2.88Å; G18-H21 PolarHBondContact O-N 3.43Å; G18-T22 PolarHBondContact O-N 2.93Å; G18-T22 VanDerWaalsContact O-N 3.09Å; G18-T22 PolarHBondContact O-OG1 3.06Å
19T96.5Very high96.2Very high28 Ų2866.6 Ų66.617%0.17234%0.34CS..Hα-helixtrans-51.2-43.5-177.1-60.30000113.6L23 V39 K40T19-L23 WeakPolarHBondContact O-CB 3.27Å; T19-L23 PolarHBondContact O-N 2.76Å; T19-V39 HydrophobicContact CG2-CB 4.31Å; T19-V39 HydrophobicContact CG2-CG1 3.97Å; T19-K40 HydrophobicContact CG2-CB 3.9Å
20E96.7Very high96Very high100 Ų10065.7 Ų65.747%0.46734%0.337SS..Hα-helixtrans-70.9-37.8-175.5-59.5-57142.600112.2G18 L23 A24 R36G18-E20 VanDerWaalsContact C-N 3.29Å; G18-E20 PolarHBondContact O-N 2.88Å; E20-L23 PolarHBondContact O-N 3.09Å; E20-A24 WeakPolarHBondContact O-CB 3.34Å; E20-A24 PolarHBondContact O-N 2.99Å; E20-R36 IonicContact OE1-CZ 3.31Å; E20-R36 VanDerWaalsContact OE1-CZ 3.31Å; E20-R36 IonicContact OE1-NE 2.96Å; E20-R36 PolarHBondContact OE1-NE 3.44Å; E20-R36 IonicContact OE1-NH2 2.8Å; E20-R36 PolarHBondContact OE1-NH2 3.27Å
21H96.8Very high95.9Very high106 Ų10674.4 Ų74.449%0.49137%0.369SS..Hα-helixtrans-69.2-44.5177.3-172.682.6000111.7Q14 A17 G18 L23 A24 T25Q14-H21 VanDerWaalsContact CD-CD2 3.46Å; Q14-H21 PolarHBondContact NE2-CD2 2.99Å; A17-H21 HydrophobicContact CB-CB 3.92Å; A17-H21 WeakPolarHBondContact CB-CD2 3.44Å; G18-H21 PolarHBondContact O-N 3.43Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 2.87Å; H21-A24 PolarHBondContact O-N 3.22Å; H21-T25 PolarHBondContact O-N 3.35Å; H21-T25 VanDerWaalsContact O-N 3.16Å; H21-T25 PolarHBondContact O-OG1 3Å
22T96.7Very high95.7Very high0 Ų075.7 Ų75.70%038%0.375CS..Hα-helixtrans-62.3-40.9174.3-56.80000111.9Q10 N11 Q14 A17 G18 L26 V39Q10-T22 HydrophobicContact CB-CG2 4.22Å; Q10-T22 HydrophobicContact CG-CG2 4.05Å; N11-T22 HydrophobicContact CB-CG2 4.38Å; Q14-T22 PolarHBondContact OE1-OG1 3.2Å; A17-T22 PolarHBondContact O-OG1 3.09Å; G18-T22 PolarHBondContact O-N 2.93Å; G18-T22 VanDerWaalsContact O-N 3.09Å; G18-T22 PolarHBondContact O-OG1 3.06Å; T22-L26 HydrophobicContact CG2-CD1 4.08Å; T22-L26 WeakPolarHBondContact O-CB 3.37Å; T22-L26 VanDerWaalsContact O-CG 3.3Å; T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3.46Å; T22-V39 HydrophobicContact CG2-CG1 3.84Å
23L97Very high95.5Very high1 Ų178.4 Ų78.41%0.00539%0.392CS..Hα-helixtrans-64.4-43.4175.8179.361.8000112.5T19 E20 H21 T25 L26 R27 A35 R36 V39T19-L23 WeakPolarHBondContact O-CB 3.27Å; T19-L23 PolarHBondContact O-N 2.76Å; E20-L23 PolarHBondContact O-N 3.09Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 2.87Å; L23-T25 VanDerWaalsContact C-N 3.33Å; L23-T25 PolarHBondContact O-N 3.31Å; L23-L26 PolarHBondContact O-N 3.04Å; L23-R27 HydrophobicContact CD1-CG 4.47Å; L23-R27 WeakPolarHBondContact O-CG 3.24Å; L23-R27 PolarHBondContact O-N 3.17Å; L23-R27 VanDerWaalsContact O-N 3.12Å; L23-A35 HydrophobicContact CD1-CB 3.49Å; L23-A35 VanDerWaalsContact CD1-CB 3.49Å; L23-R36 HydrophobicContact CD2-CB 3.86Å; L23-R36 HydrophobicContact CD2-CG 3.96Å; L23-V39 HydrophobicContact CD1-CG2 4.3Å
24A97Very high95.4Very high53 Ų5380 Ų8044%0.43840%0.399SS..Hα-helixtrans-60.9-41.4-179.800000112E20 H21E20-A24 WeakPolarHBondContact O-CB 3.34Å; E20-A24 PolarHBondContact O-N 2.99Å; H21-A24 PolarHBondContact O-N 3.22Å
25T96.1Very high95.3Very high28 Ų2879.3 Ų79.317%0.17240%0.398CS..Hα-helixtrans-77.7-34.7179.5-49.80000112.9Q14 H21 L23 R27 Q28Q14-T25 PolarHBondContact NE2-OG1 3.33Å; H21-T25 PolarHBondContact O-N 3.35Å; H21-T25 VanDerWaalsContact O-N 3.16Å; H21-T25 PolarHBondContact O-OG1 3Å; L23-T25 VanDerWaalsContact C-N 3.33Å; L23-T25 PolarHBondContact O-N 3.31Å; T25-R27 VanDerWaalsContact C-N 3.25Å; T25-R27 PolarHBondContact O-N 3.15Å; T25-Q28 WeakPolarHBondContact O-CB 3.44Å; T25-Q28 PolarHBondContact O-N 2.91Å
26L95.5Very high95.3Very high11 Ų1178.6 Ų78.66%0.05839%0.386CS..Hα-helixtrans-58.3-41.1172.4-76.5169.4000111.4V7 Q10 T22 L23 Q28 N29 V30 I32 V39V7-L26 HydrophobicContact CB-CD1 4.42Å; V7-L26 HydrophobicContact CG2-CD1 3.8Å; Q10-L26 HydrophobicContact CB-CD2 3.84Å; Q10-L26 HydrophobicContact CB-CG 4.22Å; Q10-L26 HydrophobicContact CG-CD2 3.98Å; Q10-L26 HydrophobicContact CG-CG 3.98Å; T22-L26 HydrophobicContact CG2-CD1 4.08Å; T22-L26 WeakPolarHBondContact O-CB 3.37Å; T22-L26 VanDerWaalsContact O-CG 3.3Å; T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 3.04Å; L26-Q28 PolarHBondContact O-N 3.43Å; L26-Q28 VanDerWaalsContact O-N 3.12Å; L26-N29 PolarHBondContact O-N 3.48Å; L26-N29 VanDerWaalsContact O-N 3.09Å; L26-V30 HydrophobicContact CB-CG2 4.1Å; L26-V30 HydrophobicContact CD2-CG2 3.97Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 2.95Å; L26-I32 HydrophobicContact CD1-CD1 4.46Å; L26-V39 HydrophobicContact CD1-CG2 3.6Å
27R95.5Very high95.3Very high147 Ų14779.8 Ų79.856%0.55540%0.4SS*.THydrogen-bonded Turntrans-62.9-16.4179.5-78.4174.5170.6153.7-5114.8L23 T25 N29L23-R27 HydrophobicContact CD1-CG 4.47Å; L23-R27 WeakPolarHBondContact O-CG 3.24Å; L23-R27 PolarHBondContact O-N 3.17Å; L23-R27 VanDerWaalsContact O-N 3.12Å; T25-R27 VanDerWaalsContact C-N 3.25Å; T25-R27 PolarHBondContact O-N 3.15Å; R27-N29 VanDerWaalsContact C-N 3.29Å
28Q95.4Very high95.3Very high143 Ų14379.9 Ų79.967%0.66840%0.398SS*.THydrogen-bonded Turntrans-72.7-24.3175.8-64.8174.6-18.500112.3T25 L26T25-Q28 WeakPolarHBondContact O-CB 3.44Å; T25-Q28 PolarHBondContact O-N 2.91Å; L26-Q28 PolarHBondContact O-N 3.43Å; L26-Q28 VanDerWaalsContact O-N 3.12Å
29N93.5Very high95.4Very high133 Ų13377.7 Ų77.771%0.71138%0.375SS*.THydrogen-bonded Turntrans-129.8-22.6-170.7-60-68000114L26 R27L26-N29 PolarHBondContact O-N 3.48Å; L26-N29 VanDerWaalsContact O-N 3.09Å; R27-N29 VanDerWaalsContact C-N 3.29Å
30V93.5Very high95.5Very high53 Ų5380.6 Ų80.632%0.32139%0.386SS..  trans-140.5141-175.1-64.90000112.3L26 I32L26-V30 HydrophobicContact CB-CG2 4.1Å; L26-V30 HydrophobicContact CD2-CG2 3.97Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 2.95Å; V30-I32 HydrophobicContact CG2-CD1 3.92Å; V30-I32 HydrophobicContact CG2-CG1 4.22Å
31W93.7Very high95.5Very high217 Ų21781.7 Ų81.782%0.82239%0.386SS*.  trans-104.4106.4172.1-169.3-97.3000110.7
32I92.3Very high95.5Very high28 Ų2877.8 Ų77.814%0.14437%0.368CS..  trans-105.8124.9-179.1-61.8161.4000109.2V3 V7 L26 V30 K34 A35V3-I32 HydrophobicContact CG1-CD1 3.93Å; V3-I32 HydrophobicContact CG1-CG1 4.18Å; V3-I32 HydrophobicContact CG1-CG2 3.64Å; V7-I32 HydrophobicContact CG2-CD1 4.36Å; L26-I32 HydrophobicContact CD1-CD1 4.46Å; V30-I32 HydrophobicContact CG2-CD1 3.92Å; V30-I32 HydrophobicContact CG2-CG1 4.22Å; I32-K34 PolarHBondContact O-N 3.46Å; I32-A35 HydrophobicContact CB-CB 3.88Å; I32-A35 HydrophobicContact CG2-CB 4.19Å; I32-A35 VanDerWaalsContact O-CB 3.3Å; I32-A35 WeakPolarHBondContact O-CB 3.41Å; I32-A35 PolarHBondContact O-N 2.89Å; I32-A35 VanDerWaalsContact O-N 3.16Å
33L93.1Very high95.5Very high146 Ų14678.5 Ų78.576%0.76437%0.372SS*.THydrogen-bonded Turntrans-62.2133.1171.7-64.2178.5000110.2A35L33-A35 PolarHBondContact O-N 3.16Å
34K93.6Very high95.4Very high180 Ų18086.4 Ų86.478%0.78340%0.402SS*.THydrogen-bonded Turntrans53.234.3-174.8-56-178.2177.6177.70113I32 R36 S37 T38I32-K34 PolarHBondContact O-N 3.46Å; K34-R36 VanDerWaalsContact C-N 3.28Å; K34-R36 PolarHBondContact O-N 3.13Å; K34-R36 VanDerWaalsContact O-N 3.13Å; K34-S37 WeakPolarHBondContact CB-OG 3.42Å; K34-S37 PolarHBondContact O-N 3.39Å; K34-S37 VanDerWaalsContact O-N 3.16Å; K34-S37 PolarHBondContact O-OG 2.96Å; K34-T38 PolarHBondContact O-N 3.36Å; K34-T38 PolarHBondContact O-OG1 3.37Å
35A94.4Very high95.4Very high13 Ų1386.8 Ų86.811%0.10741%0.405CS..Hα-helixtrans-46.5-47.1-176.400000113.5L23 I32 L33 S37 T38 V39L23-A35 HydrophobicContact CD1-CB 3.49Å; L23-A35 VanDerWaalsContact CD1-CB 3.49Å; I32-A35 HydrophobicContact CB-CB 3.88Å; I32-A35 HydrophobicContact CG2-CB 4.19Å; I32-A35 VanDerWaalsContact O-CB 3.3Å; I32-A35 WeakPolarHBondContact O-CB 3.41Å; I32-A35 PolarHBondContact O-N 2.89Å; I32-A35 VanDerWaalsContact O-N 3.16Å; L33-A35 PolarHBondContact O-N 3.16Å; A35-S37 PolarHBondContact O-N 3.07Å; A35-T38 PolarHBondContact O-N 2.94Å; A35-T38 VanDerWaalsContact O-N 3.13Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.16Å; A35-V39 PolarHBondContact O-N 3.46Å
36R96.7Very high95.4Very high149 Ų14986.7 Ų86.756%0.56241%0.406SS*.Hα-helixtrans-58.7-45.5-176.1-169.7177-168.6-158.53.4112.8E20 L23 K34 T38 K40E20-R36 IonicContact OE1-CZ 3.31Å; E20-R36 VanDerWaalsContact OE1-CZ 3.31Å; E20-R36 IonicContact OE1-NE 2.96Å; E20-R36 PolarHBondContact OE1-NE 3.44Å; E20-R36 IonicContact OE1-NH2 2.8Å; E20-R36 PolarHBondContact OE1-NH2 3.27Å; L23-R36 HydrophobicContact CD2-CB 3.86Å; L23-R36 HydrophobicContact CD2-CG 3.96Å; K34-R36 VanDerWaalsContact C-N 3.28Å; K34-R36 PolarHBondContact O-N 3.13Å; K34-R36 VanDerWaalsContact O-N 3.13Å; R36-T38 VanDerWaalsContact C-N 3.33Å; R36-T38 PolarHBondContact O-N 3.49Å; R36-K40 WeakPolarHBondContact O-CB 3.34Å; R36-K40 PolarHBondContact O-N 3.35Å
37S97Very high95.5Very high72 Ų7290.4 Ų90.450%0.50343%0.428SS..Hα-helixtrans-66.2-37177.744.10000111.9K34 A35 R41K34-S37 WeakPolarHBondContact CB-OG 3.42Å; K34-S37 PolarHBondContact O-N 3.39Å; K34-S37 VanDerWaalsContact O-N 3.16Å; K34-S37 PolarHBondContact O-OG 2.96Å; A35-S37 PolarHBondContact O-N 3.07Å; S37-R41 WeakPolarHBondContact O-CB 3.29Å; S37-R41 PolarHBondContact O-N 3.39Å
38T96.1Very high95.6Very high23 Ų2386.8 Ų86.814%0.14142%0.419CS..Hα-helixtrans-66.7-50176.9-54.90000111.2V3 V7 K34 A35 R36 K40 R41 I42V3-T38 HydrophobicContact CG1-CG2 3.91Å; V7-T38 HydrophobicContact CG2-CG2 4.35Å; K34-T38 PolarHBondContact O-N 3.36Å; K34-T38 PolarHBondContact O-OG1 3.37Å; A35-T38 PolarHBondContact O-N 2.94Å; A35-T38 VanDerWaalsContact O-N 3.13Å; R36-T38 VanDerWaalsContact C-N 3.33Å; R36-T38 PolarHBondContact O-N 3.49Å; T38-K40 PolarHBondContact O-N 3.36Å; T38-R41 PolarHBondContact O-N 3.07Å; T38-I42 WeakPolarHBondContact O-CG1 3.23Å; T38-I42 PolarHBondContact O-N 3.48Å
39V97.2Very high95.7Very high0 Ų080.7 Ų80.70%039%0.392CS..Hα-helixtrans-58.2-48175.9179.10000110.8V7 T19 T22 L23 L26 A35 R41 I42 V43V7-V39 HydrophobicContact CG1-CB 4.27Å; V7-V39 HydrophobicContact CG1-CG1 4.35Å; V7-V39 HydrophobicContact CG1-CG2 4.02Å; V7-V39 HydrophobicContact CG2-CG2 4.15Å; T19-V39 HydrophobicContact CG2-CB 4.31Å; T19-V39 HydrophobicContact CG2-CG1 3.97Å; T22-V39 HydrophobicContact CG2-CG1 3.84Å; L23-V39 HydrophobicContact CD1-CG2 4.3Å; L26-V39 HydrophobicContact CD1-CG2 3.6Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.16Å; A35-V39 PolarHBondContact O-N 3.46Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 2.98Å; V39-I42 PolarHBondContact O-N 3.02Å; V39-V43 HydrophobicContact CG1-CG2 3.98Å; V39-V43 WeakPolarHBondContact O-CB 3.49Å; V39-V43 VanDerWaalsContact O-CG2 3.3Å; V39-V43 WeakPolarHBondContact O-CG2 2.78Å; V39-V43 PolarHBondContact O-N 3.03Å
40K97.6Very high95.8Very high90 Ų9080.1 Ų80.139%0.39138%0.383SS..Hα-helixtrans-58.4-42.2178-173173.6179.61750112T19 R36 T38 R44T19-K40 HydrophobicContact CG2-CB 3.9Å; R36-K40 WeakPolarHBondContact O-CB 3.34Å; R36-K40 PolarHBondContact O-N 3.35Å; T38-K40 PolarHBondContact O-N 3.36Å; K40-R44 WeakPolarHBondContact O-CB 3.38Å; K40-R44 WeakPolarHBondContact O-CG 3.4Å; K40-R44 PolarHBondContact O-N 3.11Å
41R97.1Very high95.8Very high123 Ų12386.5 Ų86.546%0.46440%0.402SS..Hα-helixtrans-62.5-47.4176.6178.3176.65781.41.4111.5D4 S37 T38 V39 A45D4-R41 VanDerWaalsContact CG-NH2 3.33Å; D4-R41 IonicContact OD1-CZ 3.51Å; D4-R41 IonicContact OD1-NH1 2.91Å; D4-R41 IonicContact OD1-NH2 3.15Å; D4-R41 PolarHBondContact OD1-NH2 3.17Å; D4-R41 IonicContact OD2-CZ 3.76Å; D4-R41 IonicContact OD2-NH1 3.86Å; D4-R41 PolarHBondContact OD2-NH1 3.23Å; D4-R41 IonicContact OD2-NH2 2.76Å; D4-R41 PolarHBondContact OD2-NH2 3.2Å; D4-R41 VanDerWaalsContact OD2-NH2 3.15Å; S37-R41 WeakPolarHBondContact O-CB 3.29Å; S37-R41 PolarHBondContact O-N 3.39Å; T38-R41 PolarHBondContact O-N 3.07Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 2.98Å; R41-A45 WeakPolarHBondContact O-CB 3.29Å; R41-A45 PolarHBondContact O-N 3.2Å
42I96.3Very high95.8Very high24 Ų2484.3 Ų84.312%0.12340%0.399CS..Hα-helixtrans-68.3-46.5-178.1-61.6-62.2000111.6D4 V7 K8 T38 V39 R44 A45 C46D4-I42 HydrophobicContact CB-CD1 3.87Å; V7-I42 HydrophobicContact CB-CB 4.41Å; V7-I42 HydrophobicContact CB-CG1 4.22Å; V7-I42 HydrophobicContact CB-CG2 4.34Å; V7-I42 HydrophobicContact CG1-CB 3.59Å; V7-I42 HydrophobicContact CG1-CG1 3.86Å; V7-I42 HydrophobicContact CG1-CG2 3.72Å; K8-I42 HydrophobicContact CB-CG2 4.09Å; T38-I42 WeakPolarHBondContact O-CG1 3.23Å; T38-I42 PolarHBondContact O-N 3.48Å; V39-I42 PolarHBondContact O-N 3.02Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 3.11Å; I42-A45 PolarHBondContact O-N 3.22Å; I42-A45 VanDerWaalsContact O-N 3.11Å; I42-C46 PolarHBondContact O-N 2.94Å
43V96.8Very high95.7Very high14 Ų1486.9 Ų86.99%0.08542%0.424CS..Hα-helixtrans-61.2-43176.8174.90000110.8V39 A45 C46 C49V39-V43 HydrophobicContact CG1-CG2 3.98Å; V39-V43 WeakPolarHBondContact O-CB 3.49Å; V39-V43 VanDerWaalsContact O-CG2 3.3Å; V39-V43 WeakPolarHBondContact O-CG2 2.78Å; V39-V43 PolarHBondContact O-N 3.03Å; V43-A45 VanDerWaalsContact C-N 3.28Å; V43-A45 PolarHBondContact O-N 2.89Å; V43-C46 WeakPolarHBondContact O-CB 3.35Å; V43-C46 PolarHBondContact O-N 2.9Å; V43-C49 HydrophobicContact CG1-CB 4.26Å; V43-C49 VanDerWaalsContact O-CB 3.29Å; V43-C49 WeakPolarHBondContact O-CB 3.45Å
44R95.9Very high95.7Very high167 Ų16783.8 Ų83.863%0.6341%0.414SS*.Hα-helixtrans-66.3-27.3175.3-78.2-179.5170.6-170.3-8.2113.5K40 I42 K50K40-R44 WeakPolarHBondContact O-CB 3.38Å; K40-R44 WeakPolarHBondContact O-CG 3.4Å; K40-R44 PolarHBondContact O-N 3.11Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 3.11Å; R44-K50 WeakPolarHBondContact O-CE 3.17Å; R44-K50 WeakPolarHBondContact O-CG 3.45Å
45A96.2Very high95.4Very high61 Ų6180.1 Ų80.150%0.50441%0.411SS..Hα-helixtrans-80.8-23.117700000112.7R41 I42 V43 V47R41-A45 WeakPolarHBondContact O-CB 3.29Å; R41-A45 PolarHBondContact O-N 3.2Å; I42-A45 PolarHBondContact O-N 3.22Å; I42-A45 VanDerWaalsContact O-N 3.11Å; V43-A45 VanDerWaalsContact C-N 3.28Å; V43-A45 PolarHBondContact O-N 2.89Å; A45-V47 PolarHBondContact O-N 3.37Å
46C97.1Very high95.1Very high27 Ų2785.2 Ų85.218%0.18244%0.444CS..  trans-63.8123.5-179.4-178.80000111.8H16 I42 V43 I48 C49 K50H16-C46 PolarHBondContact ND1-SG 3.4Å; I42-C46 PolarHBondContact O-N 2.94Å; V43-C46 WeakPolarHBondContact O-CB 3.35Å; V43-C46 PolarHBondContact O-N 2.9Å; C46-I48 VanDerWaalsContact C-N 3.3Å; C46-I48 PolarHBondContact O-N 3.27Å; C46-C49 HydrophobicContact CB-CB 3.94Å; C46-C49 PolarHBondContact O-N 3.1Å; C46-C49 VanDerWaalsContact SG-SG 3.67Å; C46-K50 WeakPolarHBondContact O-CG 3.35Å; C46-K50 PolarHBondContact O-N 3.24Å
47V96.7Very high94.7Very high88 Ų8886.4 Ų86.453%0.53345%0.453SS..Hα-helixtrans-62.2-38.2-176.9177.50000111.6A45 K50 R51A45-V47 PolarHBondContact O-N 3.37Å; V47-K50 PolarHBondContact O-N 3.43Å; V47-R51 WeakPolarHBondContact O-CG 3.34Å; V47-R51 PolarHBondContact O-N 2.96Å
48I97.2Very high94.3Very high71 Ų7188.9 Ų88.936%0.36447%0.465SS..Hα-helixtrans-67.8-49179.9-62.7170.1000109.8H16 C46 K50 R51 F52H16-I48 HydrophobicContact CB-CG2 4.32Å; H16-I48 WeakPolarHBondContact CD2-CG2 3.21Å; H16-I48 WeakPolarHBondContact NE2-CD1 3.2Å; C46-I48 VanDerWaalsContact C-N 3.3Å; C46-I48 PolarHBondContact O-N 3.27Å; I48-K50 VanDerWaalsContact C-N 3.3Å; I48-K50 PolarHBondContact O-N 2.83Å; I48-R51 PolarHBondContact O-N 3.43Å; I48-R51 VanDerWaalsContact O-N 3.15Å; I48-F52 HydrophobicContact CG2-CD2 3.64Å; I48-F52 HydrophobicContact CG2-CE2 3.45Å; I48-F52 VanDerWaalsContact CG2-CE2 3.45Å; I48-F52 VanDerWaalsContact O-CD2 3.23Å; I48-F52 WeakPolarHBondContact O-CD2 2.9Å; I48-F52 PolarHBondContact O-N 3.03Å
49C97Very high94Very high15 Ų1594.8 Ų94.810%0.10149%0.491CS..Hα-helixtrans-57.3-41.8173.6-59.20000112.2V43 C46 F52 A53V43-C49 HydrophobicContact CG1-CB 4.26Å; V43-C49 VanDerWaalsContact O-CB 3.29Å; V43-C49 WeakPolarHBondContact O-CB 3.45Å; C46-C49 HydrophobicContact CB-CB 3.94Å; C46-C49 PolarHBondContact O-N 3.1Å; C46-C49 VanDerWaalsContact SG-SG 3.67Å; C49-F52 PolarHBondContact O-N 3.15Å; C49-A53 WeakPolarHBondContact O-CB 3.45Å; C49-A53 PolarHBondContact O-N 2.98Å
50K95.8Very high93.6Very high121 Ų121103.8 Ų103.853%0.52653%0.53SS..Hα-helixtrans-61.4-42176.4-76.9-177.8-177.5-176.30112.5R44 C46 V47 I48 A53 S54R44-K50 WeakPolarHBondContact O-CE 3.17Å; R44-K50 WeakPolarHBondContact O-CG 3.45Å; C46-K50 WeakPolarHBondContact O-CG 3.35Å; C46-K50 PolarHBondContact O-N 3.24Å; V47-K50 PolarHBondContact O-N 3.43Å; I48-K50 VanDerWaalsContact C-N 3.3Å; I48-K50 PolarHBondContact O-N 2.83Å; K50-A53 PolarHBondContact O-N 3.33Å; K50-S54 WeakPolarHBondContact O-CB 3.28Å; K50-S54 PolarHBondContact O-N 3.38Å
51R94.6Very high93.3Very high188 Ų188105.8 Ų105.871%0.70954%0.544SS*.Hα-helixtrans-66.4-40.8178-74.3176.4-178.7-172.90.6112.2V47 I48 S54V47-R51 WeakPolarHBondContact O-CG 3.34Å; V47-R51 PolarHBondContact O-N 2.96Å; I48-R51 PolarHBondContact O-N 3.43Å; I48-R51 VanDerWaalsContact O-N 3.15Å; R51-S54 PolarHBondContact O-OG 2.9Å
52F92.8Very high93Very high171 Ų171104 Ų10475%0.7556%0.555SS**Hα-helixtrans-74.1-31176.8-75.2-67.9000113I48 C49I48-F52 HydrophobicContact CG2-CD2 3.64Å; I48-F52 HydrophobicContact CG2-CE2 3.45Å; I48-F52 VanDerWaalsContact CG2-CE2 3.45Å; I48-F52 VanDerWaalsContact O-CD2 3.23Å; I48-F52 WeakPolarHBondContact O-CD2 2.9Å; I48-F52 PolarHBondContact O-N 3.03Å; C49-F52 PolarHBondContact O-N 3.15Å
53A91.7Very high92.7Very high82 Ų82108.5 Ų108.568%0.67859%0.588SS**Hα-helixtrans-83.9-10177.100000113.6C49 K50 S55C49-A53 WeakPolarHBondContact O-CB 3.45Å; C49-A53 PolarHBondContact O-N 2.98Å; K50-A53 PolarHBondContact O-N 3.33Å; A53-S55 PolarHBondContact O-N 3.35Å
54S91.2Very high92.2Very high80 Ų80114 Ų11456%0.55962%0.616SS**PPolyproline II helixtrans-70124.9179.962.20000110.1K50 R51K50-S54 WeakPolarHBondContact O-CB 3.28Å; K50-S54 PolarHBondContact O-N 3.38Å; R51-S54 PolarHBondContact O-OG 2.9Å
55S88Confident91.7Very high103 Ų103109.9 Ų109.972%0.7261%0.611SS**PPolyproline II helixtrans-65.3151.1170-54.40000110.7A53 F57A53-S55 PolarHBondContact O-N 3.35Å; S55-F57 PolarHBondContact O-N 3.37Å
56P87.5Confident91.2Very high121 Ų121113 Ų11379%0.78662%0.616SS**PPolyproline II helixtrans-50.9139.4168.5-24.633.9000110.4V58P56-V58 PolarHBondContact O-N 3.5Å
57F88.2Confident90.4Very high174 Ų174116.4 Ų116.476%0.76363%0.629SS**PPolyproline II helixtrans-63.3124.2173.7-176.3-99000108.9S55 Q59S55-F57 PolarHBondContact O-N 3.37Å; F57-Q59 PolarHBondContact O-N 2.95Å
58V89.3Confident89.5Confident123 Ų123114.5 Ų114.575%0.74563%0.627SS**  trans-76.6111.5169.3-178.60000106.9P56 K60P56-V58 PolarHBondContact O-N 3.5Å; V58-K60 PolarHBondContact O-N 3.43Å; V58-K60 VanDerWaalsContact O-N 3.1Å
59Q89.6Confident88.8Confident147 Ų147116.4 Ų116.469%0.68764%0.637SS**  trans-58.2116.8179-172.517816.400109.7F57 I61F57-Q59 PolarHBondContact O-N 2.95Å; Q59-I61 HydrophobicContact CG-CG1 4.04Å; Q59-I61 PolarHBondContact O-N 2.9Å
60K89.4Confident88.3Confident189 Ų189118.1 Ų118.182%0.82265%0.647SS**  trans-79.9109.8166.9-66.1-175.8-179.8-177.90107.6V58V58-K60 PolarHBondContact O-N 3.43Å; V58-K60 VanDerWaalsContact O-N 3.1Å
61I91Very high87.9Confident133 Ų133121.5 Ų121.568%0.68266%0.664SS**PPolyproline II helixtrans-89.9126.9176.9-57.3175.2000107.3Q59Q59-I61 HydrophobicContact CG-CG1 4.04Å; Q59-I61 PolarHBondContact O-N 2.9Å
62A90.1Very high87.8Confident84 Ų84113.4 Ų113.469%0.69464%0.638SS**PPolyproline II helixtrans-69.8164.217100000110.1L64A62-L64 PolarHBondContact O-N 3.43Å
63S90.4Very high87.8Confident119 Ų119113 Ų11383%0.83264%0.636SS**PPolyproline II helixtrans-52.1141.6169.5-59.40000110.3
64L86.6Confident88Confident129 Ų129112.7 Ų112.768%0.67563%0.627SS**PPolyproline II helixtrans-57.9139.4176.6-68.9170.6000109.7A62 E66 I69A62-L64 PolarHBondContact O-N 3.43Å; L64-E66 PolarHBondContact O-N 2.98Å; L64-I69 HydrophobicContact CB-CG2 4.4Å; L64-I69 HydrophobicContact CD1-CG2 4.36Å
65P85.5Confident88.1Confident81 Ų81113.5 Ų113.553%0.52662%0.621SS.*PPolyproline II helixtrans-58.4136.1175.323.1-31.3000109.9E67 G68P65-E67 WeakPolarHBondContact CB-OE2 3.11Å; P65-E67 PolarHBondContact O-N 3Å; P65-E67 VanDerWaalsContact O-N 3.17Å; P65-G68 PolarHBondContact O-N 3.26Å
66E86Confident88.4Confident127 Ų127114.2 Ų114.259%0.59361%0.613SS**G310 helixtrans-58.5-31.3-179-169.9177171.100111.1L64 G68 I69 T70 R77L64-E66 PolarHBondContact O-N 2.98Å; E66-G68 PolarHBondContact O-N 3.12Å; E66-G68 VanDerWaalsContact O-N 3.12Å; E66-I69 WeakPolarHBondContact O-CG1 3.17Å; E66-I69 PolarHBondContact O-N 3.17Å; E66-T70 HydrophobicContact CG-CG2 3.54Å; E66-T70 PolarHBondContact O-N 3.46Å; E66-T70 PolarHBondContact O-OG1 2.98Å; E66-R77 PolarHBondContact O-NH1 3.01Å
67E80.4Confident88.6Confident99 Ų99111 Ų11146%0.46359%0.585SS.*G310 helixtrans-53.9-32.1176.7-63.980.3-174.100112.5P65 R77 M105P65-E67 WeakPolarHBondContact CB-OE2 3.11Å; P65-E67 PolarHBondContact O-N 3Å; P65-E67 VanDerWaalsContact O-N 3.17Å; E67-R77 VanDerWaalsContact C-NH1 3.3Å; E67-R77 VanDerWaalsContact CA-NH1 3.25Å; E67-R77 WeakPolarHBondContact O-CD 3.34Å; E67-R77 PolarHBondContact O-NH1 3.47Å; E67-M105 HydrophobicContact CB-SD 4.22Å
68G77.5Confident88.9Confident48 Ų48105 Ų10550%0.49556%0.562SS.*G310 helixtrans-90.7-6.4-179.500000115.3P65 E66P65-G68 PolarHBondContact O-N 3.26Å; E66-G68 PolarHBondContact O-N 3.12Å; E66-G68 VanDerWaalsContact O-N 3.12Å
69I82.7Confident89.1Confident111 Ų111100.2 Ų100.257%0.56954%0.539SS*.THydrogen-bonded Turntrans-125.2-23.4-172.756.6170.8000114.5L64 E66L64-I69 HydrophobicContact CB-CG2 4.4Å; L64-I69 HydrophobicContact CD1-CG2 4.36Å; E66-I69 WeakPolarHBondContact O-CG1 3.17Å; E66-I69 PolarHBondContact O-N 3.17Å
70T87Confident89.4Confident50 Ų5097.4 Ų97.431%0.30753%0.531SS..SBendtrans-89.1149.6176.849.50000112E66 R77E66-T70 HydrophobicContact CG-CG2 3.54Å; E66-T70 PolarHBondContact O-N 3.46Å; E66-T70 PolarHBondContact O-OG1 2.98Å; T70-R77 PolarHBondContact O-NH1 2.79Å; T70-R77 VanDerWaalsContact O-NH1 3.07Å; T70-R77 PolarHBondContact OG1-NH1 3.31Å; T70-R77 PolarHBondContact OG1-NH2 3.07Å
71Q86.5Confident89.7Confident192 Ų19293.5 Ų93.590%0.89752%0.52SS*.  trans-65.6138177-67.1-178.1-21.800110.2
72A91.4Very high89.9Confident19 Ų1991 Ų9116%0.15750%0.504CS..  trans-149163.6177.100000108.5E76 R77 T106A72-E76 HydrophobicContact CB-CB 4.14Å; A72-E76 HydrophobicContact CB-CG 4.35Å; A72-R77 HydrophobicContact CB-CG 4.31Å; A72-T106 WeakPolarHBondContact O-CG2 3.39Å; A72-T106 PolarHBondContact O-OG1 2.84Å
73F94.8Very high90.1Very high162 Ų16289 Ų8971%0.71149%0.487SS*.  trans-68.2156.5172.6-68.9-78.4000111.1F75 E76 T106F73-F75 PolarHBondContact O-N 2.7Å; F73-E76 HydrophobicContact CB-CB 4.33Å; F73-E76 WeakPolarHBondContact CD2-OE2 3.11Å; F73-E76 PolarHBondContact N-OE2 2.89Å; F73-E76 VanDerWaalsContact O-CB 3.23Å; F73-E76 WeakPolarHBondContact O-CB 3Å; F73-E76 PolarHBondContact O-N 3.17Å; F73-E76 VanDerWaalsContact O-N 3.14Å; F73-T106 PolarHBondContact O-OG1 2.94Å
74P94.2Very high90.2Very high75 Ų7585.5 Ų85.549%0.48747%0.47SS..THydrogen-bonded Turntrans-52.5133.8172.8-27.235.9000111.8E76 I107P74-E76 PolarHBondContact O-N 2.96Å; P74-E76 VanDerWaalsContact O-N 3.15Å; P74-I107 HydrophobicContact CB-CD1 4.01Å; P74-I107 HydrophobicContact CB-CG1 4.37Å; P74-I107 HydrophobicContact CG-CD1 4.33Å; P74-I107 HydrophobicContact CG-CG2 4.43Å
75F93.9Very high90.6Very high98 Ų9882.3 Ų82.343%0.4346%0.457SS..THydrogen-bonded Turntrans63.22.2-177-60-81.6000117F73 R77 T78 C104 A109 H111F73-F75 PolarHBondContact O-N 2.7Å; F75-R77 PolarHBondContact O-N 3.46Å; F75-T78 WeakPolarHBondContact CA-OG1 3.23Å; F75-T78 PolarHBondContact O-OG1 3.5Å; F75-C104 HydrophobicContact CD1-CB 3.85Å; F75-C104 HydrophobicContact CE1-CB 3.9Å; F75-C104 HydrophobicContact CG-CB 4.24Å; F75-C104 HydrophobicContact CZ-CB 4.33Å; F75-C104 PolarHBondContact N-SG 2.76Å; F75-A109 HydrophobicContact CE2-CB 4.47Å; F75-A109 HydrophobicContact CZ-CB 3.98Å; F75-H111 HydrophobicContact CE1-CB 4.31Å
76E94.3Very high91Very high118 Ų11882.4 Ų82.455%0.55145%0.453SS*.THydrogen-bonded Turntrans-61.3-33.3172-173.7178.9162.800111.5A72 F73 P74A72-E76 HydrophobicContact CB-CB 4.14Å; A72-E76 HydrophobicContact CB-CG 4.35Å; F73-E76 HydrophobicContact CB-CB 4.33Å; F73-E76 WeakPolarHBondContact CD2-OE2 3.11Å; F73-E76 PolarHBondContact N-OE2 2.89Å; F73-E76 VanDerWaalsContact O-CB 3.23Å; F73-E76 WeakPolarHBondContact O-CB 3Å; F73-E76 PolarHBondContact O-N 3.17Å; F73-E76 VanDerWaalsContact O-N 3.14Å; P74-E76 PolarHBondContact O-N 2.96Å; P74-E76 VanDerWaalsContact O-N 3.15Å
77R92.8Very high91.4Very high53 Ų5384.3 Ų84.320%0.246%0.456CS..SBendtrans-123.3111.9173.6-61.2176.7-175.2168.10.2108.9E66 E67 T70 A72 F75 M105E66-R77 PolarHBondContact O-NH1 3.01Å; E67-R77 VanDerWaalsContact C-NH1 3.3Å; E67-R77 VanDerWaalsContact CA-NH1 3.25Å; E67-R77 WeakPolarHBondContact O-CD 3.34Å; E67-R77 PolarHBondContact O-NH1 3.47Å; T70-R77 PolarHBondContact O-NH1 2.79Å; T70-R77 VanDerWaalsContact O-NH1 3.07Å; T70-R77 PolarHBondContact OG1-NH1 3.31Å; T70-R77 PolarHBondContact OG1-NH2 3.07Å; A72-R77 HydrophobicContact CB-CG 4.31Å; F75-R77 PolarHBondContact O-N 3.46Å; R77-M105 HydrophobicContact CB-CB 4.03Å; R77-M105 HydrophobicContact CB-CG 4.37Å; R77-M105 HydrophobicContact CB-SD 4.14Å; R77-M105 PolarHBondContact O-N 2.94Å
78T93.8Very high92.1Very high47 Ų4781.1 Ų81.129%0.28844%0.443SS..EExtended strand (participates in β ladder)trans-127.8125-172.4-62.20000110F75 F102 T103F75-T78 WeakPolarHBondContact CA-OG1 3.23Å; F75-T78 PolarHBondContact O-OG1 3.5Å; T78-F102 HydrophobicContact CG2-CB 3.83Å; T78-F102 HydrophobicContact CG2-CD1 4.23Å; T78-T103 CarbonylContact C-O 3.54Å; T78-T103 VanDerWaalsContact CA-O 3.31Å; T78-T103 WeakPolarHBondContact CA-O 3.44Å
79G93.6Very high92.9Very high24 Ų2487.9 Ų87.925%0.24746%0.459CS..EExtended strand (participates in β ladder)trans-83.1137.3165.800000109.5F102 T103G79-F102 CarbonylContact O-C 3.57Å; G79-F102 WeakPolarHBondContact O-CA 3.48Å; G79-T103 PolarHBondContact N-O 2.85Å; G79-T103 PolarHBondContact O-N 2.84Å
80V95.1Very high93.2Very high88 Ų8888.6 Ų88.653%0.53346%0.455SS..EExtended strand (participates in β ladder)trans-113.2130.8176.3-175.60000108.8L101 F102V80-L101 CarbonylContact C-O 3.6Å; V80-L101 VanDerWaalsContact CA-O 3.31Å; V80-L101 WeakPolarHBondContact CA-O 3.5Å; V80-F102 HydrophobicContact CG1-CD1 4.44Å; V80-F102 HydrophobicContact CG1-CE1 4.22Å; V80-F102 HydrophobicContact CG2-CD1 3.75Å; V80-F102 HydrophobicContact CG2-CE1 3.95Å
81D95.5Very high93.4Very high107 Ų10789 Ų8957%0.57247%0.469SS*.EExtended strand (participates in β ladder)trans-142.1168176.1-165.314.8000110.5C100 L101D81-C100 CarbonylContact O-C 3.59Å; D81-L101 HydrophobicContact CB-CB 4.48Å; D81-L101 HydrophobicContact CB-CD1 4.4Å; D81-L101 PolarHBondContact N-O 3.14Å; D81-L101 PolarHBondContact O-N 2.86Å
82F95.7Very high93.7Very high79 Ų7990.1 Ų90.135%0.34647%0.471SS..EExtended strand (participates in β ladder)trans-124.4131.5175.2-74-85.5000111.5V99 C100 V115 M118F82-V99 CarbonylContact C-O 3.56Å; F82-V99 WeakPolarHBondContact CA-O 3.37Å; F82-C100 HydrophobicContact CD1-CB 4.03Å; F82-C100 HydrophobicContact CE1-CB 3.56Å; F82-C100 HydrophobicContact CZ-CB 4.18Å; F82-V115 HydrophobicContact CD1-CG2 4.12Å; F82-V115 HydrophobicContact CE1-CG2 3.67Å; F82-M118 HydrophobicContact CD1-CG 4.29Å; F82-M118 HydrophobicContact CG-CG 4.39Å
83A95.3Very high93.7Very high43 Ų4393.5 Ų93.536%0.35549%0.492SS..EExtended strand (participates in β ladder)trans-102.9128.7166.400000110.1Y98 V99 L101A83-Y98 CarbonylContact O-C 3.57Å; A83-Y98 WeakPolarHBondContact O-CA 3.31Å; A83-V99 HydrophobicContact CB-CB 4.38Å; A83-V99 PolarHBondContact N-O 3.35Å; A83-V99 PolarHBondContact O-N 2.97Å; A83-L101 HydrophobicContact CB-CD1 3.74Å; A83-L101 VanDerWaalsContact N-CD1 3.27Å
84G92.6Very high93.7Very high45 Ų4589.6 Ų89.646%0.46449%0.485SS..EExtended strand (participates in β ladder)trans154.4-168.9173.500000113.4
85P93.7Very high93.7Very high63 Ų6390.2 Ų90.241%0.40948%0.48SS..EExtended strand (participates in β ladder)cis-73.2144.53.629.7-34.7000113.7K96 A97 Y98P85-K96 HydrophobicContact CB-CD 4.08Å; P85-K96 HydrophobicContact CB-CG 3.64Å; P85-A97 CarbonylContact C-O 3.58Å; P85-A97 WeakPolarHBondContact CA-O 3.5Å; P85-Y98 HydrophobicContact CB-CD1 4.45Å; P85-Y98 HydrophobicContact CB-CE1 3.92Å
86L94.2Very high93.8Very high83 Ų8390.3 Ų90.344%0.43548%0.481SS..EExtended strand (participates in β ladder)trans-104.5150.1165-59.3178.5000109.2K96 A97 V99L86-K96 CarbonylContact O-C 3.59Å; L86-K96 WeakPolarHBondContact O-CA 3.31Å; L86-A97 PolarHBondContact N-O 2.76Å; L86-A97 PolarHBondContact O-N 2.95Å; L86-V99 HydrophobicContact CD1-CG2 3.65Å
87Y95.3Very high93.8Very high167 Ų16784.7 Ų84.766%0.65545%0.454SS*.EExtended strand (participates in β ladder)trans-104.6103.7171.8-73.3-89.7000108.9K95 K96Y87-K95 CarbonylContact C-O 3.4Å; Y87-K95 WeakPolarHBondContact CA-O 3.37Å; Y87-K96 HydrophobicContact CE1-CB 4.45Å
88V93.4Very high94Very high32 Ų3283.4 Ų83.419%0.19445%0.45CS..EExtended strand (participates in β ladder)trans-93.1145-179.9-63.60000110.3Y90 S94 K95 A97 L114 M116V88-Y90 PolarHBondContact O-N 2.81Å; V88-S94 CarbonylContact O-C 3.6Å; V88-S94 WeakPolarHBondContact O-CA 3.3Å; V88-K95 PolarHBondContact N-O 3.15Å; V88-K95 PolarHBondContact O-N 3.37Å; V88-A97 HydrophobicContact CG1-CB 4.05Å; V88-A97 HydrophobicContact CG2-CB 3.73Å; V88-L114 HydrophobicContact CG1-CD1 3.99Å; V88-L114 HydrophobicContact CG1-CD2 4.21Å; V88-M116 HydrophobicContact CG2-CE 4.42Å
89K94.1Very high94.2Very high189 Ų18982.4 Ų82.482%0.82244%0.443SS*.EExtended strand (participates in β ladder)trans-67.5122.2174.5-174.1177.7-179.6-179.90109.2G91K89-G91 VanDerWaalsContact CE-O 3.31Å; K89-G91 WeakPolarHBondContact CE-O 3.44Å
90Y90.3Very high94.3Very high126 Ų12681.5 Ų81.549%0.49443%0.433SS..EExtended strand (participates in β ladder)trans-12589.7175.6-165.7-87.7000108.9V88 K92 C93 K95V88-Y90 PolarHBondContact O-N 2.81Å; Y90-K92 PolarHBondContact O-N 3.31Å; Y90-C93 CarbonylContact C-O 3.59Å; Y90-C93 WeakPolarHBondContact CA-O 3.44Å; Y90-C93 PolarHBondContact N-O 3.19Å; Y90-C93 PolarHBondContact O-N 2.79Å; Y90-C93 VanDerWaalsContact O-N 3.14Å; Y90-C93 VanDerWaalsContact O-O 3.06Å; Y90-K95 HydrophobicContact CD1-CD 3.75Å; Y90-K95 HydrophobicContact CD1-CG 4.38Å; Y90-K95 HydrophobicContact CD2-CD 3.85Å; Y90-K95 HydrophobicContact CE1-CD 4.28Å; Y90-K95 HydrophobicContact CE2-CD 4.35Å; Y90-K95 HydrophobicContact CG-CD 3.51Å; Y90-K95 HydrophobicContact CG-CG 4.01Å
91G90.6Very high94.4Very high58 Ų5879.2 Ų79.260%0.59842%0.418SS*.THydrogen-bonded Turntrans63.5-120-172.100000111.9K89K89-G91 VanDerWaalsContact CE-O 3.31Å; K89-G91 WeakPolarHBondContact CE-O 3.44Å
92K92.9Very high94.5Very high217 Ų21776.8 Ų76.894%0.94340%0.402SS*.THydrogen-bonded Turntrans-89.4-5.4177.6-65-176.1-179.4179.10113.6Y90Y90-K92 PolarHBondContact O-N 3.31Å
93C92.3Very high94.5Very high89 Ų8975.5 Ų75.560%0.60140%0.401SS*.EExtended strand (participates in β ladder)trans-114.5163.3-178.5-56.40000110.4Y90Y90-C93 CarbonylContact C-O 3.59Å; Y90-C93 WeakPolarHBondContact CA-O 3.44Å; Y90-C93 PolarHBondContact N-O 3.19Å; Y90-C93 PolarHBondContact O-N 2.79Å; Y90-C93 VanDerWaalsContact O-N 3.14Å; Y90-C93 VanDerWaalsContact O-O 3.06Å
94S94Very high94.4Very high81 Ų8173.4 Ų73.457%0.56638%0.384SS*.EExtended strand (participates in β ladder)trans-95.3141.1162.256.50000109.5V88V88-S94 CarbonylContact O-C 3.6Å; V88-S94 WeakPolarHBondContact O-CA 3.3Å
95K94.4Very high94.3Very high88 Ų8875.3 Ų75.338%0.38338%0.382SS..EExtended strand (participates in β ladder)trans-118.6144.6171.8-77.7-170.5-179.5179.10110Y87 V88 Y90Y87-K95 CarbonylContact C-O 3.4Å; Y87-K95 WeakPolarHBondContact CA-O 3.37Å; V88-K95 PolarHBondContact N-O 3.15Å; V88-K95 PolarHBondContact O-N 3.37Å; Y90-K95 HydrophobicContact CD1-CD 3.75Å; Y90-K95 HydrophobicContact CD1-CG 4.38Å; Y90-K95 HydrophobicContact CD2-CD 3.85Å; Y90-K95 HydrophobicContact CE1-CD 4.28Å; Y90-K95 HydrophobicContact CE2-CD 4.35Å; Y90-K95 HydrophobicContact CG-CD 3.51Å; Y90-K95 HydrophobicContact CG-CG 4.01Å
96K95.6Very high94.1Very high100 Ų10074.8 Ų74.844%0.43538%0.378SS..EExtended strand (participates in β ladder)trans-68.1129.8171.1-169-178.1-177-173.50108.6P85 L86 Y87 Y98P85-K96 HydrophobicContact CB-CD 4.08Å; P85-K96 HydrophobicContact CB-CG 3.64Å; L86-K96 CarbonylContact O-C 3.59Å; L86-K96 WeakPolarHBondContact O-CA 3.31Å; Y87-K96 HydrophobicContact CE1-CB 4.45Å; K96-Y98 WeakPolarHBondContact CE-OH 3.34Å; K96-Y98 PolarHBondContact NZ-OH 2.79Å
97A95.4Very high94Very high0 Ų075.6 Ų75.60%038%0.381CS..EExtended strand (participates in β ladder)trans-140.3167.3175.200000109.6P85 L86 V88 L114 V115 M116P85-A97 CarbonylContact C-O 3.58Å; P85-A97 WeakPolarHBondContact CA-O 3.5Å; L86-A97 PolarHBondContact N-O 2.76Å; L86-A97 PolarHBondContact O-N 2.95Å; V88-A97 HydrophobicContact CG1-CB 4.05Å; V88-A97 HydrophobicContact CG2-CB 3.73Å; A97-L114 HydrophobicContact CB-CD1 3.75Å; A97-L114 HydrophobicContact CB-CG 4.23Å; A97-V115 CarbonylContact C-O 3.58Å; A97-V115 VanDerWaalsContact CA-O 3.25Å; A97-V115 WeakPolarHBondContact CA-O 3.31Å; A97-V115 WeakPolarHBondContact CB-O 3.44Å; A97-M116 HydrophobicContact CB-SD 4.19Å
98Y97Very high93.8Very high26 Ų2678 Ų7810%0.10239%0.389CS..EExtended strand (participates in β ladder)trans-130.8159.3172.4-55.6-96.7000108.4A83 P85 K96 V115 M118A83-Y98 CarbonylContact O-C 3.57Å; A83-Y98 WeakPolarHBondContact O-CA 3.31Å; P85-Y98 HydrophobicContact CB-CD1 4.45Å; P85-Y98 HydrophobicContact CB-CE1 3.92Å; K96-Y98 WeakPolarHBondContact CE-OH 3.34Å; K96-Y98 PolarHBondContact NZ-OH 2.79Å; Y98-V115 PolarHBondContact N-O 3.28Å; Y98-V115 PolarHBondContact O-N 2.83Å; Y98-M118 HydrophobicContact CD1-CG 4.18Å; Y98-M118 HydrophobicContact CD1-SD 3.89Å; Y98-M118 HydrophobicContact CD2-CG 3.77Å; Y98-M118 HydrophobicContact CD2-SD 4.46Å; Y98-M118 HydrophobicContact CE1-CE 4.23Å; Y98-M118 HydrophobicContact CE1-CG 4.25Å; Y98-M118 HydrophobicContact CE1-SD 3.67Å; Y98-M118 HydrophobicContact CE2-CG 3.82Å; Y98-M118 HydrophobicContact CE2-SD 4.25Å; Y98-M118 HydrophobicContact CG-CG 3.93Å; Y98-M118 HydrophobicContact CG-SD 4.27Å
99V96.6Very high93.9Very high25 Ų2578 Ų7815%0.15239%0.392CS..EExtended strand (participates in β ladder)trans-103.2115.9168.7-177.40000107F82 A83 L86 L101 L112 E113 L114F82-V99 CarbonylContact C-O 3.56Å; F82-V99 WeakPolarHBondContact CA-O 3.37Å; A83-V99 HydrophobicContact CB-CB 4.38Å; A83-V99 PolarHBondContact N-O 3.35Å; A83-V99 PolarHBondContact O-N 2.97Å; L86-V99 HydrophobicContact CD1-CG2 3.65Å; V99-L101 VanDerWaalsContact O-CD1 3.3Å; V99-L101 WeakPolarHBondContact O-CD1 3.45Å; V99-L112 HydrophobicContact CG1-CB 3.82Å; V99-L112 HydrophobicContact CG1-CD2 3.74Å; V99-L112 HydrophobicContact CG1-CG 4.22Å; V99-E113 CarbonylContact C-O 3.5Å; V99-E113 VanDerWaalsContact CA-O 3.32Å; V99-E113 WeakPolarHBondContact CA-O 3.32Å; V99-L114 HydrophobicContact CG2-CD1 4.4Å
100C96.8Very high94Very high6 Ų672.6 Ų72.64%0.04138%0.375CS..EExtended strand (participates in β ladder)trans-75.2122.7166.3-165.80000108.2D81 F82 F102 L112 E113 V115D81-C100 CarbonylContact O-C 3.59Å; F82-C100 HydrophobicContact CD1-CB 4.03Å; F82-C100 HydrophobicContact CE1-CB 3.56Å; F82-C100 HydrophobicContact CZ-CB 4.18Å; C100-F102 HydrophobicContact CB-CE2 3.93Å; C100-F102 HydrophobicContact CB-CZ 4.42Å; C100-F102 WeakPolarHBondContact SG-CE2 3.11Å; C100-F102 WeakPolarHBondContact SG-CZ 3.04Å; C100-L112 WeakPolarHBondContact O-CA 3.25Å; C100-E113 HydrophobicContact CB-CB 4.26Å; C100-E113 PolarHBondContact N-O 2.79Å; C100-E113 PolarHBondContact O-N 2.88Å; C100-V115 HydrophobicContact CB-CG1 4.29Å
101L96.9Very high94.3Very high39 Ų3971.5 Ų71.520%0.20437%0.374CS..EExtended strand (participates in β ladder)trans-103.6117178.5-57.996.7000109.2V80 D81 A83 V99 V110 L112V80-L101 CarbonylContact C-O 3.6Å; V80-L101 VanDerWaalsContact CA-O 3.31Å; V80-L101 WeakPolarHBondContact CA-O 3.5Å; D81-L101 HydrophobicContact CB-CB 4.48Å; D81-L101 HydrophobicContact CB-CD1 4.4Å; D81-L101 PolarHBondContact N-O 3.14Å; D81-L101 PolarHBondContact O-N 2.86Å; A83-L101 HydrophobicContact CB-CD1 3.74Å; A83-L101 VanDerWaalsContact N-CD1 3.27Å; V99-L101 VanDerWaalsContact O-CD1 3.3Å; V99-L101 WeakPolarHBondContact O-CD1 3.45Å; L101-V110 HydrophobicContact CB-CG1 4.36Å; L101-V110 HydrophobicContact CD2-CG1 4.39Å; L101-L112 HydrophobicContact CB-CD2 4.18Å; L101-L112 HydrophobicContact CD2-CD2 3.75Å; L101-L112 HydrophobicContact CG-CD2 3.65Å
102F96.8Very high94.6Very high56 Ų5673.7 Ų73.725%0.24637%0.372CS..EExtended strand (participates in β ladder)trans-103.3102.3171.5-61.1-89.2000108.6T78 G79 V80 C100 V110 H111 E113T78-F102 HydrophobicContact CG2-CB 3.83Å; T78-F102 HydrophobicContact CG2-CD1 4.23Å; G79-F102 CarbonylContact O-C 3.57Å; G79-F102 WeakPolarHBondContact O-CA 3.48Å; V80-F102 HydrophobicContact CG1-CD1 4.44Å; V80-F102 HydrophobicContact CG1-CE1 4.22Å; V80-F102 HydrophobicContact CG2-CD1 3.75Å; V80-F102 HydrophobicContact CG2-CE1 3.95Å; C100-F102 HydrophobicContact CB-CE2 3.93Å; C100-F102 HydrophobicContact CB-CZ 4.42Å; C100-F102 WeakPolarHBondContact SG-CE2 3.11Å; C100-F102 WeakPolarHBondContact SG-CZ 3.04Å; F102-V110 CarbonylContact O-C 3.48Å; F102-V110 WeakPolarHBondContact O-CA 3.46Å; F102-H111 HydrophobicContact CB-CB 4.15Å; F102-H111 AromaticContact CD2-CD2 3.72Å; F102-H111 PolarHBondContact N-O 3.29Å; F102-H111 PolarHBondContact O-N 2.89Å; F102-E113 HydrophobicContact CE2-CB 4.19Å
103T95.4Very high94.8Very high52 Ų5267.8 Ų67.832%0.31935%0.348SS..EExtended strand (participates in β ladder)trans-99.5114-177.1-57.70000110.5T78 G79 M105 A109 V110T78-T103 CarbonylContact C-O 3.54Å; T78-T103 VanDerWaalsContact CA-O 3.31Å; T78-T103 WeakPolarHBondContact CA-O 3.44Å; G79-T103 PolarHBondContact N-O 2.85Å; G79-T103 PolarHBondContact O-N 2.84Å; T103-M105 PolarHBondContact O-N 2.82Å; T103-A109 CarbonylContact C-O 3.58Å; T103-A109 WeakPolarHBondContact CA-O 3.39Å; T103-V110 HydrophobicContact CG2-CG2 4.23Å
104C93.6Very high94.9Very high0 Ų068 Ų680%034%0.342CS..EExtended strand (participates in β ladder)trans-67.5121.9172.2174.60000110.5F75 T106 I107 R108 A109F75-C104 HydrophobicContact CD1-CB 3.85Å; F75-C104 HydrophobicContact CE1-CB 3.9Å; F75-C104 HydrophobicContact CG-CB 4.24Å; F75-C104 HydrophobicContact CZ-CB 4.33Å; F75-C104 PolarHBondContact N-SG 2.76Å; C104-T106 VanDerWaalsContact C-N 3.34Å; C104-T106 PolarHBondContact O-N 2.78Å; C104-T106 PolarHBondContact SG-N 2.76Å; C104-I107 HydrophobicContact CB-CG1 4.18Å; C104-I107 VanDerWaalsContact SG-CG1 3.58Å; C104-R108 WeakPolarHBondContact O-CA 3.46Å; C104-R108 PolarHBondContact O-N 2.8Å; C104-A109 HydrophobicContact CB-CB 4.27Å; C104-A109 PolarHBondContact N-O 2.82Å
105M90.8Very high94.9Very high84 Ų8465.4 Ų65.441%0.41432%0.323SS..THydrogen-bonded Turntrans-72.2-26.6179.5-63.9-179.1177.800113E67 R77 T103E67-M105 HydrophobicContact CB-SD 4.22Å; R77-M105 HydrophobicContact CB-CB 4.03Å; R77-M105 HydrophobicContact CB-CG 4.37Å; R77-M105 HydrophobicContact CB-SD 4.14Å; R77-M105 PolarHBondContact O-N 2.94Å; T103-M105 PolarHBondContact O-N 2.82Å
106T89.9Confident94.8Very high53 Ų5365.8 Ų65.833%0.32533%0.327SS..THydrogen-bonded Turntrans-72.1-58.4179.9-43.80000113.2A72 F73 C104A72-T106 WeakPolarHBondContact O-CG2 3.39Å; A72-T106 PolarHBondContact O-OG1 2.84Å; F73-T106 PolarHBondContact O-OG1 2.94Å; C104-T106 VanDerWaalsContact C-N 3.34Å; C104-T106 PolarHBondContact O-N 2.78Å; C104-T106 PolarHBondContact SG-N 2.76Å
107I91.9Very high94.6Very high100 Ų10065.2 Ų65.251%0.51333%0.329SS..THydrogen-bonded Turntrans-106.91.4-172.861.5162.3000113.4P74 C104 A109P74-I107 HydrophobicContact CB-CD1 4.01Å; P74-I107 HydrophobicContact CB-CG1 4.37Å; P74-I107 HydrophobicContact CG-CD1 4.33Å; P74-I107 HydrophobicContact CG-CG2 4.43Å; C104-I107 HydrophobicContact CB-CG1 4.18Å; C104-I107 VanDerWaalsContact SG-CG1 3.58Å; I107-A109 HydrophobicContact CD1-CB 3.66Å; I107-A109 HydrophobicContact CG1-CB 3.82Å; I107-A109 PolarHBondContact O-N 3.21Å; I107-A109 VanDerWaalsContact O-N 3.17Å
108R90.6Very high94.4Very high216 Ų21670.3 Ų70.382%0.81535%0.354SS*.  trans58.721.6-177.1-55.2-176.3177.9164.7-0.3114.7C104C104-R108 WeakPolarHBondContact O-CA 3.46Å; C104-R108 PolarHBondContact O-N 2.8Å
109A95.4Very high94Very high32 Ų3273 Ų7326%0.26438%0.376SS..  trans-69.3144.817100000110.5F75 T103 C104 I107F75-A109 HydrophobicContact CE2-CB 4.47Å; F75-A109 HydrophobicContact CZ-CB 3.98Å; T103-A109 CarbonylContact C-O 3.58Å; T103-A109 WeakPolarHBondContact CA-O 3.39Å; C104-A109 HydrophobicContact CB-CB 4.27Å; C104-A109 PolarHBondContact N-O 2.82Å; I107-A109 HydrophobicContact CD1-CB 3.66Å; I107-A109 HydrophobicContact CG1-CB 3.82Å; I107-A109 PolarHBondContact O-N 3.21Å; I107-A109 VanDerWaalsContact O-N 3.17Å
110V97.2Very high93.2Very high76 Ų7678.3 Ų78.346%0.46141%0.409SS..EExtended strand (participates in β ladder)trans-122.1122.4178.8-173.90000109L101 F102 T103 L112L101-V110 HydrophobicContact CB-CG1 4.36Å; L101-V110 HydrophobicContact CD2-CG1 4.39Å; F102-V110 CarbonylContact O-C 3.48Å; F102-V110 WeakPolarHBondContact O-CA 3.46Å; T103-V110 HydrophobicContact CG2-CG2 4.23Å; V110-L112 HydrophobicContact CG1-CD2 3.59Å; V110-L112 HydrophobicContact CG1-CG 4.21Å
111H97.2Very high91.9Very high103 Ų10389.1 Ų89.148%0.47747%0.467SS..EExtended strand (participates in β ladder)trans-98.6131.2168175.574.8000108.9F75 F102F75-H111 HydrophobicContact CE1-CB 4.31Å; F102-H111 HydrophobicContact CB-CB 4.15Å; F102-H111 AromaticContact CD2-CD2 3.72Å; F102-H111 PolarHBondContact N-O 3.29Å; F102-H111 PolarHBondContact O-N 2.89Å
112L97Very high91.7Very high104 Ų10491.6 Ų91.655%0.54548%0.48SS..EExtended strand (participates in β ladder)trans-115.3128.7-175.4-60.7178.3000109.6V99 C100 L101 V110V99-L112 HydrophobicContact CG1-CB 3.82Å; V99-L112 HydrophobicContact CG1-CD2 3.74Å; V99-L112 HydrophobicContact CG1-CG 4.22Å; C100-L112 WeakPolarHBondContact O-CA 3.25Å; L101-L112 HydrophobicContact CB-CD2 4.18Å; L101-L112 HydrophobicContact CD2-CD2 3.75Å; L101-L112 HydrophobicContact CG-CD2 3.65Å; V110-L112 HydrophobicContact CG1-CD2 3.59Å; V110-L112 HydrophobicContact CG1-CG 4.21Å
113E96.2Very high91.4Very high94 Ų9493.5 Ų93.544%0.43949%0.492SS..EExtended strand (participates in β ladder)trans-124.6131.2176.7-172.1177.7178.100110.5V99 C100 F102 V115V99-E113 CarbonylContact C-O 3.5Å; V99-E113 VanDerWaalsContact CA-O 3.32Å; V99-E113 WeakPolarHBondContact CA-O 3.32Å; C100-E113 HydrophobicContact CB-CB 4.26Å; C100-E113 PolarHBondContact N-O 2.79Å; C100-E113 PolarHBondContact O-N 2.88Å; F102-E113 HydrophobicContact CE2-CB 4.19Å; E113-V115 HydrophobicContact CG-CG1 4.35Å
114L94.5Very high91.2Very high92 Ų9295.8 Ų95.848%0.48250%0.502SS..EExtended strand (participates in β ladder)trans-84.7117.9176-174.675.6000109.8V88 A97 V99 M116V88-L114 HydrophobicContact CG1-CD1 3.99Å; V88-L114 HydrophobicContact CG1-CD2 4.21Å; A97-L114 HydrophobicContact CB-CD1 3.75Å; A97-L114 HydrophobicContact CB-CG 4.23Å; V99-L114 HydrophobicContact CG2-CD1 4.4Å; L114-M116 HydrophobicContact CD2-CE 4.47Å
115V94.7Very high91Very high28 Ų28101.4 Ų101.417%0.1753%0.531CS..EExtended strand (participates in β ladder)trans-116.4148.7178.6-59.60000111.5F82 A97 Y98 C100 E113 N117F82-V115 HydrophobicContact CD1-CG2 4.12Å; F82-V115 HydrophobicContact CE1-CG2 3.67Å; A97-V115 CarbonylContact C-O 3.58Å; A97-V115 VanDerWaalsContact CA-O 3.25Å; A97-V115 WeakPolarHBondContact CA-O 3.31Å; A97-V115 WeakPolarHBondContact CB-O 3.44Å; Y98-V115 PolarHBondContact N-O 3.28Å; Y98-V115 PolarHBondContact O-N 2.83Å; C100-V115 HydrophobicContact CB-CG1 4.29Å; E113-V115 HydrophobicContact CG-CG1 4.35Å; V115-N117 WeakPolarHBondContact CB-O 3.35Å; V115-N117 WeakPolarHBondContact CG2-O 3.5Å
116M92.5Very high91Very high95 Ų95102.5 Ų102.547%0.46854%0.539SS..SBendtrans-89.7-16.4-179.7-62.8-66.9168.400112.9V88 A97 L114V88-M116 HydrophobicContact CG2-CE 4.42Å; A97-M116 HydrophobicContact CB-SD 4.19Å; L114-M116 HydrophobicContact CD2-CE 4.47Å
117N90.4Very high91.1Very high88 Ų88105.8 Ų105.847%0.47155%0.553SS.*SBendtrans-144.8171.6176.362.939.1000109.3V115 S119V115-N117 WeakPolarHBondContact CB-O 3.35Å; V115-N117 WeakPolarHBondContact CG2-O 3.5Å; N117-S119 PolarHBondContact OD1-N 3.14Å
118M90.7Very high91Very high107 Ų107106.2 Ų106.253%0.52756%0.556SS.*SBendtrans-105.629.2176.6-59.7179.3-59.800110.9F82 Y98F82-M118 HydrophobicContact CD1-CG 4.29Å; F82-M118 HydrophobicContact CG-CG 4.39Å; Y98-M118 HydrophobicContact CD1-CG 4.18Å; Y98-M118 HydrophobicContact CD1-SD 3.89Å; Y98-M118 HydrophobicContact CD2-CG 3.77Å; Y98-M118 HydrophobicContact CD2-SD 4.46Å; Y98-M118 HydrophobicContact CE1-CE 4.23Å; Y98-M118 HydrophobicContact CE1-CG 4.25Å; Y98-M118 HydrophobicContact CE1-SD 3.67Å; Y98-M118 HydrophobicContact CE2-CG 3.82Å; Y98-M118 HydrophobicContact CE2-SD 4.25Å; Y98-M118 HydrophobicContact CG-CG 3.93Å; Y98-M118 HydrophobicContact CG-SD 4.27Å
119S88.9Confident91.1Very high82 Ų8297.8 Ų97.857%0.57354%0.536SS*.  trans-88.8148.8-178.2-61.90000110.5N117N117-S119 PolarHBondContact OD1-N 3.14Å
120T79.5Confident90.7Very high138 Ų138103.3 Ų103.385%0.84756%0.558SS**  trans-100.4119.5163.755.70000107.1
121D70.2Confident90.1Very high232 Ų232105.7 Ų105.7100%1.24157%0.567SS**  trans-70.30171.7-71.5-25.7000111.9

Retrieved 121 of 121 residues in 23.4 ms (Link to these results)