| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 92.6 | Very high | 95.4 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 35% | 0.345 | 39% | 0.385 | S | S | . | . | 0 | 122.5 | 0 | 177.2 | -178.4 | 178 | 0 | 0 | 106.7 | V3 L13 A14 F61 M62 L63 | M1-V3 HydrophobicContact CE-CG1 3.88Å; M1-V3 HydrophobicContact CG-CG1 3.99Å; M1-V3 HydrophobicContact SD-CG1 4.4Å; M1-L13 HydrophobicContact CE-CB 4.16Å; M1-A14 HydrophobicContact CE-CB 4.33Å; M1-A14 HydrophobicContact SD-CB 3.76Å; M1-F61 HydrophobicContact CE-CB 3.61Å; M1-F61 HydrophobicContact CE-CD1 3.96Å; M1-F61 HydrophobicContact CE-CD2 3.42Å; M1-F61 VanDerWaalsContact CE-CD2 3.42Å; M1-F61 HydrophobicContact CE-CE2 4.04Å; M1-F61 HydrophobicContact CE-CG 3.37Å; M1-F61 HydrophobicContact CG-CB 4.26Å; M1-F61 HydrophobicContact CG-CD2 4.36Å; M1-F61 HydrophobicContact SD-CD2 4.41Å; M1-M62 CarbonylContact C-O 3.57Å; M1-M62 WeakPolarHBondContact CA-O 2.76Å; M1-L63 HydrophobicContact CB-CD2 3.88Å; M1-L63 HydrophobicContact CG-CD2 3.75Å; M1-L63 HydrophobicContact SD-CD2 4.22Å | |||
| 2 | A | 96.3 | Very high | 95.4 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 143.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | F61 M62 | A2-F61 CarbonylContact O-C 3.51Å; A2-F61 WeakPolarHBondContact O-CA 3.34Å; A2-F61 VanDerWaalsContact O-CB 3.25Å; A2-F61 WeakPolarHBondContact O-CB 3.45Å; A2-M62 HydrophobicContact CB-CB 4.41Å; A2-M62 PolarHBondContact N-O 2.95Å; A2-M62 PolarHBondContact O-N 3.49Å |
| 3 | V | 96.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 57 Ų | 57 | 38% | 0.376 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.5 | -169.7 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | M1 L7 A10 F61 | M1-V3 HydrophobicContact CE-CG1 3.88Å; M1-V3 HydrophobicContact CG-CG1 3.99Å; M1-V3 HydrophobicContact SD-CG1 4.4Å; V3-L7 HydrophobicContact CG2-CD1 4.35Å; V3-A10 HydrophobicContact CB-CB 3.77Å; V3-A10 HydrophobicContact CG1-CB 3.97Å; V3-A10 HydrophobicContact CG2-CB 3.84Å; V3-F61 HydrophobicContact CB-CB 4.42Å; V3-F61 HydrophobicContact CG1-CB 3.89Å |
| 4 | A | 95.4 | Very high | 95.5 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 131.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C59 S60 I91 | A4-C59 CarbonylContact O-C 3.47Å; A4-C59 VanDerWaalsContact O-CA 3.27Å; A4-C59 WeakPolarHBondContact O-CA 3.47Å; A4-C59 WeakPolarHBondContact O-CB 3.25Å; A4-S60 PolarHBondContact N-O 3.27Å; A4-S60 PolarHBondContact O-N 3.31Å; A4-I91 HydrophobicContact CB-CB 4.18Å; A4-I91 HydrophobicContact CB-CD1 3.63Å; A4-I91 HydrophobicContact CB-CG1 3.7Å |
| 5 | G | 94.6 | Very high | 95.6 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 68% | 0.68 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 123.2 | -145.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L7 G58 | G5-L7 PolarHBondContact O-N 3.38Å; G5-G58 WeakPolarHBondContact CA-O 3.38Å |
| 6 | L | 95.5 | Very high | 95.6 | Very high | 86 Ų | 86 | 54.4 Ų | 54.4 | 45% | 0.45 | 33% | 0.331 | S | S | . | . | trans | -71.2 | 112.7 | -178.1 | -175.9 | 58.9 | 0 | 0 | 0 | 111.4 | A8 D9 A10 G58 | L6-A8 VanDerWaalsContact C-N 3.31Å; L6-A8 PolarHBondContact O-N 2.94Å; L6-D9 HydrophobicContact CB-CB 4.36Å; L6-D9 WeakPolarHBondContact CD2-OD1 3.23Å; L6-D9 HydrophobicContact CG-CB 4.48Å; L6-D9 WeakPolarHBondContact O-CB 2.84Å; L6-D9 PolarHBondContact O-N 3.45Å; L6-A10 PolarHBondContact O-N 3.28Å; L6-G58 PolarHBondContact N-O 3.26Å | ||
| 7 | L | 95.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -32.5 | -172.7 | -172.3 | 61.8 | 0 | 0 | 0 | 114 | V3 G5 A10 R11 | V3-L7 HydrophobicContact CG2-CD1 4.35Å; G5-L7 PolarHBondContact O-N 3.38Å; L7-A10 PolarHBondContact O-N 3.49Å; L7-R11 WeakPolarHBondContact O-CG 3.41Å; L7-R11 PolarHBondContact O-N 3.34Å |
| 8 | A | 95.6 | Very high | 95.8 | Very high | 66 Ų | 66 | 58.2 Ų | 58.2 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L6 R11 S12 | L6-A8 VanDerWaalsContact C-N 3.31Å; L6-A8 PolarHBondContact O-N 2.94Å; A8-R11 PolarHBondContact O-N 3.45Å; A8-S12 PolarHBondContact O-N 3.03Å |
| 9 | D | 95.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 175.6 | -72.8 | 19 | 0 | 0 | 0 | 110.7 | L6 R11 S12 L13 R55 F57 G58 | L6-D9 HydrophobicContact CB-CB 4.36Å; L6-D9 WeakPolarHBondContact CD2-OD1 3.23Å; L6-D9 HydrophobicContact CG-CB 4.48Å; L6-D9 WeakPolarHBondContact O-CB 2.84Å; L6-D9 PolarHBondContact O-N 3.45Å; D9-R11 VanDerWaalsContact C-N 3.31Å; D9-R11 PolarHBondContact O-N 3.39Å; D9-S12 PolarHBondContact O-N 3.17Å; D9-S12 VanDerWaalsContact O-N 3.13Å; D9-S12 PolarHBondContact O-OG 3.06Å; D9-L13 PolarHBondContact O-N 3.12Å; D9-R55 IonicContact OD1-CZ 3.96Å; D9-R55 IonicContact OD1-NH1 2.76Å; D9-R55 IonicContact OD1-NH2 3.93Å; D9-R55 PolarHBondContact OD1-NH2 3.02Å; D9-R55 IonicContact OD2-CZ 2.86Å; D9-R55 IonicContact OD2-NH1 2.82Å; D9-R55 PolarHBondContact OD2-NH1 2.63Å; D9-R55 IonicContact OD2-NH2 3.25Å; D9-R55 PolarHBondContact OD2-NH2 3.3Å; D9-F57 HydrophobicContact CB-CD1 4.03Å; D9-G58 PolarHBondContact OD2-N 3.3Å |
| 10 | A | 95.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V3 L6 L7 L13 A14 C59 | V3-A10 HydrophobicContact CB-CB 3.77Å; V3-A10 HydrophobicContact CG1-CB 3.97Å; V3-A10 HydrophobicContact CG2-CB 3.84Å; L6-A10 PolarHBondContact O-N 3.28Å; L7-A10 PolarHBondContact O-N 3.49Å; A10-L13 PolarHBondContact O-N 3.06Å; A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 3.24Å; A10-C59 HydrophobicContact CB-CB 4.27Å |
| 11 | R | 95.9 | Very high | 95.9 | Very high | 159 Ų | 159 | 58.6 Ų | 58.6 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 174.8 | -74.3 | 174.9 | -178.3 | 155.8 | -0.1 | 111.6 | L7 A8 D9 L13 A14 D15 | L7-R11 WeakPolarHBondContact O-CG 3.41Å; L7-R11 PolarHBondContact O-N 3.34Å; A8-R11 PolarHBondContact O-N 3.45Å; D9-R11 VanDerWaalsContact C-N 3.31Å; D9-R11 PolarHBondContact O-N 3.39Å; R11-L13 VanDerWaalsContact C-N 3.33Å; R11-L13 PolarHBondContact O-N 3.08Å; R11-A14 WeakPolarHBondContact O-CB 3.37Å; R11-A14 PolarHBondContact O-N 2.97Å; R11-A14 VanDerWaalsContact O-N 3.17Å; R11-D15 PolarHBondContact O-N 2.86Å |
| 12 | S | 95.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 177.6 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | A8 D9 A14 D15 I16 | A8-S12 PolarHBondContact O-N 3.03Å; D9-S12 PolarHBondContact O-N 3.17Å; D9-S12 VanDerWaalsContact O-N 3.13Å; D9-S12 PolarHBondContact O-OG 3.06Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.72Å; S12-D15 PolarHBondContact O-N 2.87Å; S12-I16 WeakPolarHBondContact O-CD1 3.44Å; S12-I16 WeakPolarHBondContact O-CG1 3.37Å; S12-I16 PolarHBondContact O-N 3.47Å |
| 13 | L | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.1 | -34.3 | 175.8 | -69.9 | 177.2 | 0 | 0 | 0 | 112.6 | M1 D9 A10 R11 D15 I16 A17 Y44 V45 F57 C59 F61 | M1-L13 HydrophobicContact CE-CB 4.16Å; D9-L13 PolarHBondContact O-N 3.12Å; A10-L13 PolarHBondContact O-N 3.06Å; R11-L13 VanDerWaalsContact C-N 3.33Å; R11-L13 PolarHBondContact O-N 3.08Å; L13-D15 VanDerWaalsContact C-N 3.3Å; L13-D15 PolarHBondContact O-N 3.2Å; L13-I16 HydrophobicContact CD2-CD1 4.12Å; L13-I16 PolarHBondContact O-N 3.3Å; L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 3.43Å; L13-Y44 HydrophobicContact CD2-CD1 4.31Å; L13-V45 HydrophobicContact CD1-CG2 4.08Å; L13-V45 HydrophobicContact CD2-CG2 3.74Å; L13-F57 HydrophobicContact CD1-CB 4.02Å; L13-F57 HydrophobicContact CD1-CD1 3.98Å; L13-F57 HydrophobicContact CD1-CD2 4.46Å; L13-F57 HydrophobicContact CD1-CG 3.9Å; L13-F57 HydrophobicContact CD2-CD1 4.02Å; L13-F57 HydrophobicContact CD2-CD2 4.02Å; L13-F57 HydrophobicContact CD2-CE1 3.89Å; L13-F57 HydrophobicContact CD2-CE2 3.88Å; L13-F57 HydrophobicContact CD2-CG 4.09Å; L13-F57 HydrophobicContact CD2-CZ 3.84Å; L13-F57 HydrophobicContact CG-CD1 3.88Å; L13-F57 HydrophobicContact CG-CE1 4.06Å; L13-F57 HydrophobicContact CG-CG 4.18Å; L13-C59 VanDerWaalsContact CD1-SG 3.55Å; L13-F61 HydrophobicContact CD1-CD1 3.97Å; L13-F61 HydrophobicContact CD1-CE1 3.57Å; L13-F61 HydrophobicContact CD1-CZ 4.43Å |
| 14 | A | 96.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1 A10 R11 S12 A17 R18 | M1-A14 HydrophobicContact CE-CB 4.33Å; M1-A14 HydrophobicContact SD-CB 3.76Å; A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 3.24Å; R11-A14 WeakPolarHBondContact O-CB 3.37Å; R11-A14 PolarHBondContact O-N 2.97Å; R11-A14 VanDerWaalsContact O-N 3.17Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.72Å; A14-A17 PolarHBondContact O-N 3.36Å; A14-R18 WeakPolarHBondContact O-CD 3.38Å; A14-R18 VanDerWaalsContact O-CG 3.24Å; A14-R18 WeakPolarHBondContact O-CG 3.09Å; A14-R18 PolarHBondContact O-N 3.44Å |
| 15 | D | 97.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | 176.6 | -66.7 | -28.4 | 0 | 0 | 0 | 111.7 | R11 S12 L13 A17 R18 E19 | R11-D15 PolarHBondContact O-N 2.86Å; S12-D15 PolarHBondContact O-N 2.87Å; L13-D15 VanDerWaalsContact C-N 3.3Å; L13-D15 PolarHBondContact O-N 3.2Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.02Å; D15-R18 WeakPolarHBondContact O-CB 3.46Å; D15-R18 PolarHBondContact O-N 3.06Å; D15-R18 IonicContact OD1-CZ 2.88Å; D15-R18 IonicContact OD1-NH1 2.68Å; D15-R18 PolarHBondContact OD1-NH1 2.92Å; D15-E19 WeakPolarHBondContact O-CB 3.44Å; D15-E19 PolarHBondContact O-N 3.19Å |
| 16 | I | 95.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 173.1 | -67.2 | 154.1 | 0 | 0 | 0 | 111.2 | S12 L13 R18 E19 E20 Y44 | S12-I16 WeakPolarHBondContact O-CD1 3.44Å; S12-I16 WeakPolarHBondContact O-CG1 3.37Å; S12-I16 PolarHBondContact O-N 3.47Å; L13-I16 HydrophobicContact CD2-CD1 4.12Å; L13-I16 PolarHBondContact O-N 3.3Å; I16-R18 VanDerWaalsContact C-N 3.33Å; I16-R18 PolarHBondContact O-N 3.41Å; I16-E19 PolarHBondContact O-N 3Å; I16-E20 PolarHBondContact O-N 2.96Å; I16-Y44 HydrophobicContact CD1-CD1 3.87Å; I16-Y44 HydrophobicContact CD1-CE1 3.23Å; I16-Y44 HydrophobicContact CD1-CE2 4.47Å; I16-Y44 HydrophobicContact CG1-CE1 4.28Å; I16-Y44 HydrophobicContact CG2-CD1 4.27Å; I16-Y44 HydrophobicContact CG2-CD2 4.34Å; I16-Y44 HydrophobicContact CG2-CG 4.18Å |
| 17 | A | 96.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 64 Ų | 64 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L13 A14 D15 A21 L37 V41 | L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 3.43Å; A14-A17 PolarHBondContact O-N 3.36Å; D15-A17 VanDerWaalsContact C-N 3.33Å; D15-A17 PolarHBondContact O-N 3.02Å; A17-A21 WeakPolarHBondContact O-CB 3.41Å; A17-A21 PolarHBondContact O-N 3.12Å; A17-L37 HydrophobicContact CB-CD1 4.48Å; A17-L37 WeakPolarHBondContact O-CD1 3.49Å; A17-V41 HydrophobicContact CB-CG2 3.82Å |
| 18 | R | 96.6 | Very high | 96.3 | Very high | 168 Ų | 168 | 65.7 Ų | 65.7 | 63% | 0.634 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 174.3 | -73.4 | 163.9 | 178.5 | 159.8 | -3.2 | 111.5 | A14 D15 I16 A21 S22 | A14-R18 WeakPolarHBondContact O-CD 3.38Å; A14-R18 VanDerWaalsContact O-CG 3.24Å; A14-R18 WeakPolarHBondContact O-CG 3.09Å; A14-R18 PolarHBondContact O-N 3.44Å; D15-R18 WeakPolarHBondContact O-CB 3.46Å; D15-R18 PolarHBondContact O-N 3.06Å; D15-R18 IonicContact OD1-CZ 2.88Å; D15-R18 IonicContact OD1-NH1 2.68Å; D15-R18 PolarHBondContact OD1-NH1 2.92Å; I16-R18 VanDerWaalsContact C-N 3.33Å; I16-R18 PolarHBondContact O-N 3.41Å; R18-A21 PolarHBondContact O-N 2.96Å; R18-S22 WeakPolarHBondContact O-CB 3.43Å; R18-S22 PolarHBondContact O-N 3.17Å |
| 19 | E | 97.1 | Very high | 96.2 | Very high | 120 Ų | 120 | 65.7 Ų | 65.7 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.9 | -48.3 | 177.1 | -170.4 | 178 | 171.3 | 0 | 0 | 110.6 | D15 I16 A21 S22 N23 | D15-E19 WeakPolarHBondContact O-CB 3.44Å; D15-E19 PolarHBondContact O-N 3.19Å; I16-E19 PolarHBondContact O-N 3Å; E19-A21 PolarHBondContact O-N 3.46Å; E19-S22 WeakPolarHBondContact O-CB 3.48Å; E19-S22 PolarHBondContact O-N 3.21Å; E19-S22 VanDerWaalsContact O-N 3.12Å; E19-N23 WeakPolarHBondContact O-CB 3.43Å; E19-N23 PolarHBondContact O-N 3.1Å; E19-N23 PolarHBondContact O-ND2 3.34Å |
| 20 | E | 96.8 | Very high | 96.2 | Very high | 41 Ų | 41 | 71.1 Ų | 71.1 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 178.1 | -75.5 | -59.9 | -111.4 | 0 | 0 | 113.8 | I16 S22 N23 F24 L37 R40 | I16-E20 PolarHBondContact O-N 2.96Å; E20-S22 VanDerWaalsContact C-N 3.3Å; E20-S22 PolarHBondContact O-N 3.21Å; E20-N23 PolarHBondContact OE2-ND2 2.76Å; E20-F24 VanDerWaalsContact O-CB 3.26Å; E20-F24 WeakPolarHBondContact O-CB 3.41Å; E20-F24 PolarHBondContact O-N 3.15Å; E20-L37 HydrophobicContact CB-CD1 4.33Å; E20-R40 IonicContact OE1-CZ 3.34Å; E20-R40 IonicContact OE1-NE 3.06Å; E20-R40 PolarHBondContact OE1-NE 3.35Å; E20-R40 IonicContact OE1-NH2 2.75Å; E20-R40 PolarHBondContact OE1-NH2 3.31Å |
| 21 | A | 95.9 | Very high | 96 | Very high | 23 Ų | 23 | 76.2 Ų | 76.2 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | A17 R18 E19 R25 I32 L37 | A17-A21 WeakPolarHBondContact O-CB 3.41Å; A17-A21 PolarHBondContact O-N 3.12Å; R18-A21 PolarHBondContact O-N 2.96Å; E19-A21 PolarHBondContact O-N 3.46Å; A21-R25 PolarHBondContact O-N 3.48Å; A21-R25 VanDerWaalsContact O-N 3.15Å; A21-I32 HydrophobicContact CB-CG2 3.85Å; A21-L37 HydrophobicContact CB-CD1 4.47Å |
| 22 | S | 97 | Very high | 96 | Very high | 60 Ų | 60 | 69.9 Ų | 69.9 | 42% | 0.42 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.9 | -45.6 | 177.6 | -173 | 0 | 0 | 0 | 0 | 112.2 | R18 E19 E20 F24 R25 S26 | R18-S22 WeakPolarHBondContact O-CB 3.43Å; R18-S22 PolarHBondContact O-N 3.17Å; E19-S22 WeakPolarHBondContact O-CB 3.48Å; E19-S22 PolarHBondContact O-N 3.21Å; E19-S22 VanDerWaalsContact O-N 3.12Å; E20-S22 VanDerWaalsContact C-N 3.3Å; E20-S22 PolarHBondContact O-N 3.21Å; S22-F24 VanDerWaalsContact C-N 3.34Å; S22-F24 PolarHBondContact O-N 3.23Å; S22-R25 PolarHBondContact O-N 3.32Å; S22-S26 WeakPolarHBondContact O-CB 3.42Å; S22-S26 PolarHBondContact O-N 3.46Å; S22-S26 PolarHBondContact O-OG 2.88Å |
| 23 | N | 96.8 | Very high | 96 | Very high | 60 Ų | 60 | 69.4 Ų | 69.4 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 177 | -70.6 | -19.1 | 0 | 0 | 0 | 110.8 | E19 E20 R25 S26 N27 | E19-N23 WeakPolarHBondContact O-CB 3.43Å; E19-N23 PolarHBondContact O-N 3.1Å; E19-N23 PolarHBondContact O-ND2 3.34Å; E20-N23 PolarHBondContact OE2-ND2 2.76Å; N23-R25 PolarHBondContact O-N 3.44Å; N23-S26 PolarHBondContact O-N 3.22Å; N23-N27 WeakPolarHBondContact O-CB 3.33Å; N23-N27 VanDerWaalsContact O-CG 3.23Å; N23-N27 PolarHBondContact O-N 2.82Å; N23-N27 PolarHBondContact O-ND2 3.24Å |
| 24 | F | 96.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 69.9 Ų | 69.9 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -47 | 177.4 | -172.1 | -85.5 | 0 | 0 | 0 | 111.8 | E20 S22 S26 N27 F28 Y30 I32 H36 | E20-F24 VanDerWaalsContact O-CB 3.26Å; E20-F24 WeakPolarHBondContact O-CB 3.41Å; E20-F24 PolarHBondContact O-N 3.15Å; S22-F24 VanDerWaalsContact C-N 3.34Å; S22-F24 PolarHBondContact O-N 3.23Å; F24-S26 VanDerWaalsContact C-N 3.3Å; F24-S26 PolarHBondContact O-N 2.94Å; F24-N27 PolarHBondContact O-N 2.68Å; F24-F28 HydrophobicContact CD1-CB 4.5Å; F24-F28 HydrophobicContact CD1-CD2 4.09Å; F24-F28 AromaticContact CD2-CD2 3.46Å; F24-F28 HydrophobicContact CD2-CD2 3.46Å; F24-F28 VanDerWaalsContact CD2-CD2 3.46Å; F24-F28 AromaticContact CD2-CE2 3.63Å; F24-F28 HydrophobicContact CD2-CE2 3.63Å; F24-F28 HydrophobicContact CE1-CB 4.17Å; F24-F28 HydrophobicContact CE1-CD2 4.08Å; F24-F28 HydrophobicContact CE1-CG 4.4Å; F24-F28 AromaticContact CE2-CD2 3.43Å; F24-F28 HydrophobicContact CE2-CD2 3.43Å; F24-F28 VanDerWaalsContact CE2-CD2 3.43Å; F24-F28 AromaticContact CE2-CE2 3.6Å; F24-F28 HydrophobicContact CE2-CE2 3.6Å; F24-F28 HydrophobicContact CE2-CG 4.23Å; F24-F28 HydrophobicContact CE2-CZ 4.48Å; F24-F28 AromaticContact CG-CD2 3.81Å; F24-F28 HydrophobicContact CG-CD2 3.81Å; F24-F28 HydrophobicContact CG-CE2 4.37Å; F24-F28 HydrophobicContact CZ-CB 4.36Å; F24-F28 AromaticContact CZ-CD2 3.77Å; F24-F28 HydrophobicContact CZ-CD2 3.77Å; F24-F28 HydrophobicContact CZ-CE2 4.34Å; F24-F28 HydrophobicContact CZ-CG 4.16Å; F24-F28 WeakPolarHBondContact O-CB 3.33Å; F24-F28 WeakPolarHBondContact O-CD2 3.41Å; F24-F28 PolarHBondContact O-N 3.04Å; F24-Y30 HydrophobicContact CE1-CD2 4.11Å; F24-Y30 HydrophobicContact CE1-CE1 4.25Å; F24-Y30 AromaticContact CE1-CE2 3.6Å; F24-Y30 HydrophobicContact CE1-CE2 3.6Å; F24-Y30 AromaticContact CE1-CZ 3.67Å; F24-Y30 HydrophobicContact CZ-CE1 4.42Å; F24-Y30 AromaticContact CZ-CE2 3.92Å; F24-Y30 HydrophobicContact CZ-CE2 3.92Å; F24-Y30 AromaticContact CZ-CZ 3.68Å; F24-Y30 WeakPolarHBondContact CZ-OH 3.4Å; F24-I32 HydrophobicContact CB-CB 4.07Å; F24-I32 HydrophobicContact CB-CD1 3.82Å; F24-I32 HydrophobicContact CB-CG1 4.15Å; F24-I32 HydrophobicContact CD1-CB 3.57Å; F24-I32 HydrophobicContact CD1-CD1 4.47Å; F24-I32 HydrophobicContact CD1-CG1 3.87Å; F24-I32 HydrophobicContact CD2-CD1 4Å; F24-I32 HydrophobicContact CD2-CG1 4.01Å; F24-I32 HydrophobicContact CE1-CB 4.15Å; F24-I32 HydrophobicContact CE1-CG1 4.26Å; F24-I32 HydrophobicContact CE2-CG1 4.4Å; F24-I32 HydrophobicContact CG-CB 3.81Å; F24-I32 HydrophobicContact CG-CD1 3.83Å; F24-I32 HydrophobicContact CG-CG1 3.72Å; F24-H36 AromaticContact CD2-CE1 3.6Å; F24-H36 AromaticContact CD2-ND1 3.47Å; F24-H36 WeakPolarHBondContact CD2-ND1 3.39Å; F24-H36 AromaticContact CE2-CE1 3.43Å; F24-H36 VanDerWaalsContact CE2-CE1 3.43Å; F24-H36 WeakPolarHBondContact CE2-CE1 3.41Å; F24-H36 AromaticContact CE2-ND1 3.17Å; F24-H36 WeakPolarHBondContact CE2-ND1 3.35Å |
| 25 | R | 95.6 | Very high | 95.9 | Very high | 128 Ų | 128 | 74.6 Ų | 74.6 | 48% | 0.483 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 177.5 | -174.7 | -179.1 | -68.3 | 133 | -1.3 | 111.9 | A21 S22 N23 N27 G29 Y30 N31 | A21-R25 PolarHBondContact O-N 3.48Å; A21-R25 VanDerWaalsContact O-N 3.15Å; S22-R25 PolarHBondContact O-N 3.32Å; N23-R25 PolarHBondContact O-N 3.44Å; R25-N27 VanDerWaalsContact C-N 3.34Å; R25-G29 VanDerWaalsContact O-CA 3.25Å; R25-G29 WeakPolarHBondContact O-CA 3.33Å; R25-G29 PolarHBondContact O-N 3.4Å; R25-Y30 WeakPolarHBondContact CA-O 3.3Å; R25-N31 PolarHBondContact NE-OD1 3.27Å; R25-N31 VanDerWaalsContact NE-OD1 3.12Å; R25-N31 PolarHBondContact NH2-OD1 3.46Å |
| 26 | S | 96.9 | Very high | 95.8 | Very high | 92 Ų | 92 | 74.2 Ų | 74.2 | 64% | 0.643 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.8 | -36.8 | 179.6 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | S22 N23 F24 | S22-S26 WeakPolarHBondContact O-CB 3.42Å; S22-S26 PolarHBondContact O-N 3.46Å; S22-S26 PolarHBondContact O-OG 2.88Å; N23-S26 PolarHBondContact O-N 3.22Å; F24-S26 VanDerWaalsContact C-N 3.3Å; F24-S26 PolarHBondContact O-N 2.94Å |
| 27 | N | 96.8 | Very high | 95.8 | Very high | 126 Ų | 126 | 74 Ų | 74 | 67% | 0.674 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -81.9 | -38.9 | -178.1 | -68.1 | -22.3 | 0 | 0 | 0 | 113.2 | N23 F24 R25 | N23-N27 WeakPolarHBondContact O-CB 3.33Å; N23-N27 VanDerWaalsContact O-CG 3.23Å; N23-N27 PolarHBondContact O-N 2.82Å; N23-N27 PolarHBondContact O-ND2 3.24Å; F24-N27 PolarHBondContact O-N 2.68Å; R25-N27 VanDerWaalsContact C-N 3.34Å |
| 28 | F | 95.4 | Very high | 95.8 | Very high | 122 Ų | 122 | 73.6 Ų | 73.6 | 54% | 0.535 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -110.3 | -13.3 | -170.8 | -61.7 | -76.2 | 0 | 0 | 0 | 114.3 | F24 Y30 | F24-F28 HydrophobicContact CD1-CB 4.5Å; F24-F28 HydrophobicContact CD1-CD2 4.09Å; F24-F28 AromaticContact CD2-CD2 3.46Å; F24-F28 HydrophobicContact CD2-CD2 3.46Å; F24-F28 VanDerWaalsContact CD2-CD2 3.46Å; F24-F28 AromaticContact CD2-CE2 3.63Å; F24-F28 HydrophobicContact CD2-CE2 3.63Å; F24-F28 HydrophobicContact CE1-CB 4.17Å; F24-F28 HydrophobicContact CE1-CD2 4.08Å; F24-F28 HydrophobicContact CE1-CG 4.4Å; F24-F28 AromaticContact CE2-CD2 3.43Å; F24-F28 HydrophobicContact CE2-CD2 3.43Å; F24-F28 VanDerWaalsContact CE2-CD2 3.43Å; F24-F28 AromaticContact CE2-CE2 3.6Å; F24-F28 HydrophobicContact CE2-CE2 3.6Å; F24-F28 HydrophobicContact CE2-CG 4.23Å; F24-F28 HydrophobicContact CE2-CZ 4.48Å; F24-F28 AromaticContact CG-CD2 3.81Å; F24-F28 HydrophobicContact CG-CD2 3.81Å; F24-F28 HydrophobicContact CG-CE2 4.37Å; F24-F28 HydrophobicContact CZ-CB 4.36Å; F24-F28 AromaticContact CZ-CD2 3.77Å; F24-F28 HydrophobicContact CZ-CD2 3.77Å; F24-F28 HydrophobicContact CZ-CE2 4.34Å; F24-F28 HydrophobicContact CZ-CG 4.16Å; F24-F28 WeakPolarHBondContact O-CB 3.33Å; F24-F28 WeakPolarHBondContact O-CD2 3.41Å; F24-F28 PolarHBondContact O-N 3.04Å; F28-Y30 VanDerWaalsContact C-N 3.34Å; F28-Y30 HydrophobicContact CB-CD1 3.93Å; F28-Y30 HydrophobicContact CB-CE1 3.61Å; F28-Y30 HydrophobicContact CG-CE1 4.47Å; F28-Y30 WeakPolarHBondContact O-CD1 3.2Å; F28-Y30 PolarHBondContact O-N 2.96Å |
| 29 | G | 94.1 | Very high | 95.8 | Very high | 67 Ų | 67 | 68.7 Ų | 68.7 | 69% | 0.691 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 79.4 | 5.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116 | R25 | R25-G29 VanDerWaalsContact O-CA 3.25Å; R25-G29 WeakPolarHBondContact O-CA 3.33Å; R25-G29 PolarHBondContact O-N 3.4Å |
| 30 | Y | 93.8 | Very high | 95.8 | Very high | 126 Ų | 126 | 68.1 Ų | 68.1 | 49% | 0.494 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -136.8 | 171.2 | 177.1 | 67.9 | -86.6 | 0 | 0 | 0 | 112.5 | F24 R25 F28 P33 | F24-Y30 HydrophobicContact CE1-CD2 4.11Å; F24-Y30 HydrophobicContact CE1-CE1 4.25Å; F24-Y30 AromaticContact CE1-CE2 3.6Å; F24-Y30 HydrophobicContact CE1-CE2 3.6Å; F24-Y30 AromaticContact CE1-CZ 3.67Å; F24-Y30 HydrophobicContact CZ-CE1 4.42Å; F24-Y30 AromaticContact CZ-CE2 3.92Å; F24-Y30 HydrophobicContact CZ-CE2 3.92Å; F24-Y30 AromaticContact CZ-CZ 3.68Å; F24-Y30 WeakPolarHBondContact CZ-OH 3.4Å; R25-Y30 WeakPolarHBondContact CA-O 3.3Å; F28-Y30 VanDerWaalsContact C-N 3.34Å; F28-Y30 HydrophobicContact CB-CD1 3.93Å; F28-Y30 HydrophobicContact CB-CE1 3.61Å; F28-Y30 HydrophobicContact CG-CE1 4.47Å; F28-Y30 WeakPolarHBondContact O-CD1 3.2Å; F28-Y30 PolarHBondContact O-N 2.96Å; Y30-P33 HydrophobicContact CE2-CG 4.34Å |
| 31 | N | 93.1 | Very high | 95.8 | Very high | 109 Ų | 109 | 66.2 Ų | 66.2 | 58% | 0.583 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 137.2 | -179.2 | -70.5 | -14.5 | 0 | 0 | 0 | 111.6 | R25 | R25-N31 PolarHBondContact NE-OD1 3.27Å; R25-N31 VanDerWaalsContact NE-OD1 3.12Å; R25-N31 PolarHBondContact NH2-OD1 3.46Å |
| 32 | I | 94.9 | Very high | 95.8 | Very high | 26 Ų | 26 | 65.3 Ų | 65.3 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 129.9 | 179.8 | -168.6 | 168 | 0 | 0 | 0 | 111.5 | A21 F24 H36 L37 | A21-I32 HydrophobicContact CB-CG2 3.85Å; F24-I32 HydrophobicContact CB-CB 4.07Å; F24-I32 HydrophobicContact CB-CD1 3.82Å; F24-I32 HydrophobicContact CB-CG1 4.15Å; F24-I32 HydrophobicContact CD1-CB 3.57Å; F24-I32 HydrophobicContact CD1-CD1 4.47Å; F24-I32 HydrophobicContact CD1-CG1 3.87Å; F24-I32 HydrophobicContact CD2-CD1 4Å; F24-I32 HydrophobicContact CD2-CG1 4.01Å; F24-I32 HydrophobicContact CE1-CB 4.15Å; F24-I32 HydrophobicContact CE1-CG1 4.26Å; F24-I32 HydrophobicContact CE2-CG1 4.4Å; F24-I32 HydrophobicContact CG-CB 3.81Å; F24-I32 HydrophobicContact CG-CD1 3.83Å; F24-I32 HydrophobicContact CG-CG1 3.72Å; I32-H36 HydrophobicContact CG1-CB 4.32Å; I32-L37 HydrophobicContact CD1-CB 3.82Å; I32-L37 HydrophobicContact CD1-CD1 4.1Å; I32-L37 HydrophobicContact CG1-CB 4.15Å; I32-L37 HydrophobicContact CG2-CB 4.19Å; I32-L37 HydrophobicContact CG2-CD2 4.33Å |
| 33 | P | 94.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 68.3 Ų | 68.3 | 24% | 0.24 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 138.9 | 169.5 | -23.4 | 34.5 | 0 | 0 | 0 | 110.9 | Y30 K35 H36 L37 | Y30-P33 HydrophobicContact CE2-CG 4.34Å; P33-K35 VanDerWaalsContact C-N 3.31Å; P33-K35 PolarHBondContact O-N 3.32Å; P33-H36 HydrophobicContact CB-CB 4.43Å; P33-H36 PolarHBondContact O-N 3.05Å; P33-L37 PolarHBondContact O-N 3.15Å |
| 34 | L | 95.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | -173.5 | -172.6 | 66.5 | 0 | 0 | 0 | 112.5 | H36 L37 A38 L63 Q73 Y75 | L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 3.29Å; L34-L37 PolarHBondContact O-N 3.37Å; L34-A38 WeakPolarHBondContact O-CB 3.33Å; L34-A38 PolarHBondContact O-N 3.05Å; L34-L63 HydrophobicContact CD1-CB 3.74Å; L34-L63 HydrophobicContact CG-CB 4.47Å; L34-Q73 HydrophobicContact CB-CB 4.39Å; L34-Q73 HydrophobicContact CD2-CB 3.57Å; L34-Q73 VanDerWaalsContact CD2-O 3.23Å; L34-Q73 WeakPolarHBondContact CD2-O 3.48Å; L34-Y75 HydrophobicContact CD2-CD2 3.87Å; L34-Y75 HydrophobicContact CG-CD2 4.13Å |
| 35 | K | 95.1 | Very high | 95.6 | Very high | 118 Ų | 118 | 68.9 Ų | 68.9 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.2 | -45.9 | 175.5 | -179 | 176.2 | 179.5 | 179.4 | 0 | 111.6 | P33 A38 D39 Y75 | P33-K35 VanDerWaalsContact C-N 3.31Å; P33-K35 PolarHBondContact O-N 3.32Å; K35-A38 PolarHBondContact O-N 3.39Å; K35-D39 VanDerWaalsContact O-CG 3.24Å; K35-D39 PolarHBondContact O-N 2.91Å; K35-Y75 HydrophobicContact CB-CE2 4.21Å; K35-Y75 HydrophobicContact CG-CE1 4.41Å; K35-Y75 WeakPolarHBondContact CG-OH 3.5Å |
| 36 | H | 95.6 | Very high | 95.7 | Very high | 76 Ų | 76 | 66.9 Ų | 66.9 | 35% | 0.352 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 179.8 | -172.6 | -140.5 | 0 | 0 | 0 | 111.4 | F24 I32 P33 L34 A38 D39 R40 | F24-H36 AromaticContact CD2-CE1 3.6Å; F24-H36 AromaticContact CD2-ND1 3.47Å; F24-H36 WeakPolarHBondContact CD2-ND1 3.39Å; F24-H36 AromaticContact CE2-CE1 3.43Å; F24-H36 VanDerWaalsContact CE2-CE1 3.43Å; F24-H36 WeakPolarHBondContact CE2-CE1 3.41Å; F24-H36 AromaticContact CE2-ND1 3.17Å; F24-H36 WeakPolarHBondContact CE2-ND1 3.35Å; I32-H36 HydrophobicContact CG1-CB 4.32Å; P33-H36 HydrophobicContact CB-CB 4.43Å; P33-H36 PolarHBondContact O-N 3.05Å; L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 3.29Å; H36-A38 VanDerWaalsContact C-N 3.33Å; H36-A38 PolarHBondContact O-N 3.48Å; H36-D39 PolarHBondContact O-N 3.06Å; H36-R40 WeakPolarHBondContact O-CB 3.4Å; H36-R40 WeakPolarHBondContact O-CG 3.44Å; H36-R40 PolarHBondContact O-N 3.16Å |
| 37 | L | 96.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 64.4 Ų | 64.4 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 173.9 | -179.4 | 62.2 | 0 | 0 | 0 | 111.5 | A17 E20 A21 I32 P33 L34 R40 V41 L63 | A17-L37 HydrophobicContact CB-CD1 4.48Å; A17-L37 WeakPolarHBondContact O-CD1 3.49Å; E20-L37 HydrophobicContact CB-CD1 4.33Å; A21-L37 HydrophobicContact CB-CD1 4.47Å; I32-L37 HydrophobicContact CD1-CB 3.82Å; I32-L37 HydrophobicContact CD1-CD1 4.1Å; I32-L37 HydrophobicContact CG1-CB 4.15Å; I32-L37 HydrophobicContact CG2-CB 4.19Å; I32-L37 HydrophobicContact CG2-CD2 4.33Å; P33-L37 PolarHBondContact O-N 3.15Å; L34-L37 PolarHBondContact O-N 3.37Å; L37-R40 PolarHBondContact O-N 3.5Å; L37-V41 HydrophobicContact CD1-CG2 4.08Å; L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.3Å; L37-V41 PolarHBondContact O-N 3.25Å; L37-L63 HydrophobicContact CG-CD1 4.36Å |
| 38 | A | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L34 K35 H36 R40 V41 A42 L63 Y75 I77 | L34-A38 WeakPolarHBondContact O-CB 3.33Å; L34-A38 PolarHBondContact O-N 3.05Å; K35-A38 PolarHBondContact O-N 3.39Å; H36-A38 VanDerWaalsContact C-N 3.33Å; H36-A38 PolarHBondContact O-N 3.48Å; A38-R40 PolarHBondContact O-N 2.89Å; A38-V41 PolarHBondContact O-N 3.49Å; A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 3.35Å; A38-L63 HydrophobicContact CB-CD1 4.15Å; A38-Y75 HydrophobicContact CB-CD1 3.99Å; A38-Y75 HydrophobicContact CB-CG 3.94Å; A38-I77 HydrophobicContact CB-CD1 4.11Å; A38-I77 WeakPolarHBondContact O-CD1 3.45Å |
| 39 | D | 96.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 58.3 Ų | 58.3 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 177.9 | -68.3 | -20.1 | 0 | 0 | 0 | 111.7 | K35 H36 A42 M43 | K35-D39 VanDerWaalsContact O-CG 3.24Å; K35-D39 PolarHBondContact O-N 2.91Å; H36-D39 PolarHBondContact O-N 3.06Å; D39-A42 PolarHBondContact O-N 3.03Å; D39-M43 WeakPolarHBondContact O-CB 3.43Å; D39-M43 VanDerWaalsContact O-CG 3.26Å; D39-M43 WeakPolarHBondContact O-CG 3.41Å; D39-M43 PolarHBondContact O-N 2.74Å |
| 40 | R | 96.7 | Very high | 95.4 | Very high | 108 Ų | 108 | 60 Ų | 60 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 178.3 | -69.4 | -65.7 | -63.6 | 176.3 | -1.6 | 112.4 | E20 H36 L37 A38 M43 Y44 | E20-R40 IonicContact OE1-CZ 3.34Å; E20-R40 IonicContact OE1-NE 3.06Å; E20-R40 PolarHBondContact OE1-NE 3.35Å; E20-R40 IonicContact OE1-NH2 2.75Å; E20-R40 PolarHBondContact OE1-NH2 3.31Å; H36-R40 WeakPolarHBondContact O-CB 3.4Å; H36-R40 WeakPolarHBondContact O-CG 3.44Å; H36-R40 PolarHBondContact O-N 3.16Å; L37-R40 PolarHBondContact O-N 3.5Å; A38-R40 PolarHBondContact O-N 2.89Å; R40-M43 PolarHBondContact O-N 3.35Å; R40-Y44 PolarHBondContact O-N 2.95Å; R40-Y44 VanDerWaalsContact O-N 3.12Å |
| 41 | V | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 179.1 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | A17 L37 A38 Y44 V45 F61 I77 | A17-V41 HydrophobicContact CB-CG2 3.82Å; L37-V41 HydrophobicContact CD1-CG2 4.08Å; L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.3Å; L37-V41 PolarHBondContact O-N 3.25Å; A38-V41 PolarHBondContact O-N 3.49Å; V41-Y44 WeakPolarHBondContact O-CB 3.24Å; V41-Y44 PolarHBondContact O-N 3.2Å; V41-V45 WeakPolarHBondContact O-CG2 3.4Å; V41-V45 PolarHBondContact O-N 3.17Å; V41-F61 HydrophobicContact CB-CZ 4.47Å; V41-F61 HydrophobicContact CG1-CE2 3.83Å; V41-F61 HydrophobicContact CG1-CZ 3.48Å; V41-F61 VanDerWaalsContact CG1-CZ 3.48Å; V41-I77 HydrophobicContact CB-CD1 4.48Å |
| 42 | A | 96.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A38 D39 Y44 V45 H46 I77 G81 | A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 3.35Å; D39-A42 PolarHBondContact O-N 3.03Å; A42-Y44 VanDerWaalsContact C-N 3.3Å; A42-Y44 PolarHBondContact O-N 2.86Å; A42-V45 PolarHBondContact O-N 3.38Å; A42-H46 WeakPolarHBondContact O-CB 3.39Å; A42-H46 PolarHBondContact O-N 3.24Å; A42-I77 HydrophobicContact CB-CD1 4.33Å; A42-I77 HydrophobicContact CB-CG1 4.19Å; A42-I77 HydrophobicContact CB-CG2 4.09Å; A42-G81 WeakPolarHBondContact CB-O 3.07Å; A42-G81 WeakPolarHBondContact O-CA 3.44Å |
| 43 | M | 96.1 | Very high | 95.2 | Very high | 124 Ų | 124 | 66.3 Ų | 66.3 | 61% | 0.611 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.9 | -40.5 | 172.3 | -75.1 | 179.3 | 70.2 | 0 | 0 | 112.1 | D39 R40 H46 A47 | D39-M43 WeakPolarHBondContact O-CB 3.43Å; D39-M43 VanDerWaalsContact O-CG 3.26Å; D39-M43 WeakPolarHBondContact O-CG 3.41Å; D39-M43 PolarHBondContact O-N 2.74Å; R40-M43 PolarHBondContact O-N 3.35Å; M43-H46 PolarHBondContact O-N 3.25Å; M43-A47 PolarHBondContact O-N 3.26Å |
| 44 | Y | 95.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 67.5 Ų | 67.5 | 33% | 0.333 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 176 | -173.1 | -85.6 | 0 | 0 | 0 | 111.6 | L13 I16 R40 V41 A42 H46 A47 Y48 F57 | L13-Y44 HydrophobicContact CD2-CD1 4.31Å; I16-Y44 HydrophobicContact CD1-CD1 3.87Å; I16-Y44 HydrophobicContact CD1-CE1 3.23Å; I16-Y44 HydrophobicContact CD1-CE2 4.47Å; I16-Y44 HydrophobicContact CG1-CE1 4.28Å; I16-Y44 HydrophobicContact CG2-CD1 4.27Å; I16-Y44 HydrophobicContact CG2-CD2 4.34Å; I16-Y44 HydrophobicContact CG2-CG 4.18Å; R40-Y44 PolarHBondContact O-N 2.95Å; R40-Y44 VanDerWaalsContact O-N 3.12Å; V41-Y44 WeakPolarHBondContact O-CB 3.24Å; V41-Y44 PolarHBondContact O-N 3.2Å; A42-Y44 VanDerWaalsContact C-N 3.3Å; A42-Y44 PolarHBondContact O-N 2.86Å; Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.29Å; Y44-A47 WeakPolarHBondContact O-CB 3.24Å; Y44-A47 PolarHBondContact O-N 3.09Å; Y44-Y48 HydrophobicContact CD1-CD2 4.4Å; Y44-Y48 HydrophobicContact CD1-CE2 4.12Å; Y44-Y48 HydrophobicContact CE1-CD2 4.07Å; Y44-Y48 AromaticContact CE1-CE2 3.4Å; Y44-Y48 HydrophobicContact CE1-CE2 3.4Å; Y44-Y48 VanDerWaalsContact CE1-CE2 3.4Å; Y44-Y48 HydrophobicContact CE2-CE2 4.3Å; Y44-Y48 AromaticContact CZ-CE2 3.53Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.16Å; Y44-Y48 PolarHBondContact OH-OH 2.59Å; Y44-F57 HydrophobicContact CD1-CE2 4.12Å; Y44-F57 HydrophobicContact CD1-CZ 4.39Å; Y44-F57 AromaticContact CE1-CE2 3.92Å; Y44-F57 HydrophobicContact CE1-CE2 3.92Å; Y44-F57 AromaticContact CE1-CZ 3.8Å; Y44-F57 HydrophobicContact CE1-CZ 3.8Å |
| 45 | V | 95.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | L13 V41 A42 A47 Y48 F57 F61 P79 | L13-V45 HydrophobicContact CD1-CG2 4.08Å; L13-V45 HydrophobicContact CD2-CG2 3.74Å; V41-V45 WeakPolarHBondContact O-CG2 3.4Å; V41-V45 PolarHBondContact O-N 3.17Å; A42-V45 PolarHBondContact O-N 3.38Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.24Å; V45-Y48 PolarHBondContact O-N 3.47Å; V45-Y48 VanDerWaalsContact O-N 3.16Å; V45-F57 HydrophobicContact CB-CD2 4.4Å; V45-F57 HydrophobicContact CG1-CD2 4.28Å; V45-F57 HydrophobicContact CG2-CD2 4.17Å; V45-F61 HydrophobicContact CG2-CE1 4.18Å; V45-F61 HydrophobicContact CG2-CZ 4.29Å; V45-P79 WeakPolarHBondContact CG1-O 3.42Å |
| 46 | H | 96.1 | Very high | 95.1 | Very high | 86 Ų | 86 | 71.2 Ų | 71.2 | 40% | 0.398 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 178.7 | -173.7 | 60.4 | 0 | 0 | 0 | 112.1 | A42 M43 Y44 Y48 T49 S80 | A42-H46 WeakPolarHBondContact O-CB 3.39Å; A42-H46 PolarHBondContact O-N 3.24Å; M43-H46 PolarHBondContact O-N 3.25Å; Y44-H46 VanDerWaalsContact C-N 3.32Å; Y44-H46 PolarHBondContact O-N 3.29Å; H46-Y48 PolarHBondContact O-N 3.02Å; H46-Y48 VanDerWaalsContact O-N 3.13Å; H46-T49 PolarHBondContact ND1-OG1 3.35Å; H46-T49 WeakPolarHBondContact O-CB 3.48Å; H46-T49 PolarHBondContact O-N 3.12Å; H46-T49 PolarHBondContact O-OG1 3.02Å; H46-S80 PolarHBondContact ND1-O 2.79Å |
| 47 | A | 95.1 | Very high | 95.1 | Very high | 40 Ų | 40 | 68.3 Ų | 68.3 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57 | -31.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M43 Y44 V45 T49 L50 | M43-A47 PolarHBondContact O-N 3.26Å; Y44-A47 WeakPolarHBondContact O-CB 3.24Å; Y44-A47 PolarHBondContact O-N 3.09Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.24Å; A47-T49 PolarHBondContact O-N 3.19Å; A47-L50 PolarHBondContact O-N 3.1Å |
| 48 | Y | 94.5 | Very high | 95 | Very high | 68 Ų | 68 | 69 Ų | 69 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -0.9 | 177.2 | -79.7 | -108.8 | 0 | 0 | 0 | 113.7 | Y44 V45 H46 V54 F57 | Y44-Y48 HydrophobicContact CD1-CD2 4.4Å; Y44-Y48 HydrophobicContact CD1-CE2 4.12Å; Y44-Y48 HydrophobicContact CE1-CD2 4.07Å; Y44-Y48 AromaticContact CE1-CE2 3.4Å; Y44-Y48 HydrophobicContact CE1-CE2 3.4Å; Y44-Y48 VanDerWaalsContact CE1-CE2 3.4Å; Y44-Y48 HydrophobicContact CE2-CE2 4.3Å; Y44-Y48 AromaticContact CZ-CE2 3.53Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.16Å; Y44-Y48 PolarHBondContact OH-OH 2.59Å; V45-Y48 PolarHBondContact O-N 3.47Å; V45-Y48 VanDerWaalsContact O-N 3.16Å; H46-Y48 PolarHBondContact O-N 3.02Å; H46-Y48 VanDerWaalsContact O-N 3.13Å; Y48-V54 HydrophobicContact CD1-CB 3.84Å; Y48-V54 HydrophobicContact CD1-CG1 4.38Å; Y48-V54 HydrophobicContact CD1-CG2 3.82Å; Y48-V54 HydrophobicContact CE1-CB 4.22Å; Y48-V54 HydrophobicContact CE1-CG1 4.28Å; Y48-V54 HydrophobicContact CE1-CG2 4.46Å; Y48-V54 HydrophobicContact CG-CG2 4.2Å; Y48-F57 AromaticContact CD1-CE2 3.84Å; Y48-F57 HydrophobicContact CD1-CE2 3.84Å; Y48-F57 HydrophobicContact CD1-CZ 4.02Å; Y48-F57 HydrophobicContact CD2-CD2 4.47Å; Y48-F57 AromaticContact CD2-CE2 3.5Å; Y48-F57 HydrophobicContact CD2-CE2 3.5Å; Y48-F57 HydrophobicContact CD2-CZ 4.1Å; Y48-F57 HydrophobicContact CE1-CE2 4.23Å; Y48-F57 AromaticContact CE1-CZ 3.99Å; Y48-F57 HydrophobicContact CE1-CZ 3.99Å; Y48-F57 AromaticContact CE2-CE2 3.91Å; Y48-F57 HydrophobicContact CE2-CE2 3.91Å; Y48-F57 HydrophobicContact CE2-CZ 4.06Å; Y48-F57 HydrophobicContact CG-CD2 4.14Å; Y48-F57 AromaticContact CG-CE2 3.45Å; Y48-F57 HydrophobicContact CG-CE2 3.45Å; Y48-F57 VanDerWaalsContact CG-CE2 3.45Å; Y48-F57 HydrophobicContact CG-CZ 4.07Å; Y48-F57 AromaticContact CZ-CZ 4Å |
| 49 | T | 94.3 | Very high | 95 | Very high | 52 Ų | 52 | 69.2 Ų | 69.2 | 32% | 0.319 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -9.7 | 176.1 | 72.2 | 0 | 0 | 0 | 0 | 113.2 | H46 A47 P56 P79 | H46-T49 PolarHBondContact ND1-OG1 3.35Å; H46-T49 WeakPolarHBondContact O-CB 3.48Å; H46-T49 PolarHBondContact O-N 3.12Å; H46-T49 PolarHBondContact O-OG1 3.02Å; A47-T49 PolarHBondContact O-N 3.19Å; T49-P56 HydrophobicContact CG2-CB 4.2Å; T49-P56 HydrophobicContact CG2-CG 4.27Å; T49-P79 WeakPolarHBondContact CG2-O 3.38Å |
| 50 | L | 92.9 | Very high | 95 | Very high | 102 Ų | 102 | 67.4 Ų | 67.4 | 53% | 0.534 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -27.8 | -172.7 | -63.3 | 176.4 | 0 | 0 | 0 | 114.1 | A47 | A47-L50 PolarHBondContact O-N 3.1Š|
| 51 | Y | 91.4 | Very high | 95 | Very high | 163 Ų | 163 | 62.2 Ų | 62.2 | 64% | 0.639 | 34% | 0.342 | S | S | * | . | trans | -115.7 | 135.1 | -170.6 | -58.3 | -75.8 | 0 | 0 | 0 | 111.7 | A53 V54 | Y51-A53 PolarHBondContact O-N 3.46Å; Y51-V54 PolarHBondContact O-N 3.12Å | ||
| 52 | S | 91.2 | Very high | 95 | Very high | 137 Ų | 137 | 63.5 Ų | 63.5 | 96% | 0.958 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.2 | 177.1 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | V54 | S52-V54 VanDerWaalsContact C-N 3.32Š|
| 53 | A | 94.7 | Very high | 95 | Very high | 95 Ų | 95 | 63.8 Ų | 63.8 | 79% | 0.785 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -21.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y51 | Y51-A53 PolarHBondContact O-N 3.46Š|
| 54 | V | 94.4 | Very high | 95 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -126.6 | 148.5 | -179.2 | -65 | 0 | 0 | 0 | 0 | 109.7 | Y48 Y51 S52 | Y48-V54 HydrophobicContact CD1-CB 3.84Å; Y48-V54 HydrophobicContact CD1-CG1 4.38Å; Y48-V54 HydrophobicContact CD1-CG2 3.82Å; Y48-V54 HydrophobicContact CE1-CB 4.22Å; Y48-V54 HydrophobicContact CE1-CG1 4.28Å; Y48-V54 HydrophobicContact CE1-CG2 4.46Å; Y48-V54 HydrophobicContact CG-CG2 4.2Å; Y51-V54 PolarHBondContact O-N 3.12Å; S52-V54 VanDerWaalsContact C-N 3.32Å |
| 55 | R | 95 | Very high | 95 | Very high | 142 Ų | 142 | 57.1 Ų | 57.1 | 54% | 0.536 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 149.4 | 172.7 | 64.5 | 172.6 | -175 | 77.4 | -0.1 | 110.2 | D9 | D9-R55 IonicContact OD1-CZ 3.96Å; D9-R55 IonicContact OD1-NH1 2.76Å; D9-R55 IonicContact OD1-NH2 3.93Å; D9-R55 PolarHBondContact OD1-NH2 3.02Å; D9-R55 IonicContact OD2-CZ 2.86Å; D9-R55 IonicContact OD2-NH1 2.82Å; D9-R55 PolarHBondContact OD2-NH1 2.63Å; D9-R55 IonicContact OD2-NH2 3.25Å; D9-R55 PolarHBondContact OD2-NH2 3.3Å |
| 56 | P | 95.2 | Very high | 95 | Very high | 64 Ų | 64 | 59.2 Ų | 59.2 | 42% | 0.416 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 155.4 | 167.5 | -25.6 | 35 | 0 | 0 | 0 | 112.5 | T49 G58 | T49-P56 HydrophobicContact CG2-CB 4.2Å; T49-P56 HydrophobicContact CG2-CG 4.27Å; P56-G58 PolarHBondContact O-N 3.19Å |
| 57 | F | 95.4 | Very high | 94.8 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -69 | 128.3 | 172.8 | -70.8 | -79.1 | 0 | 0 | 0 | 110.6 | D9 L13 Y44 V45 Y48 C59 P79 | D9-F57 HydrophobicContact CB-CD1 4.03Å; L13-F57 HydrophobicContact CD1-CB 4.02Å; L13-F57 HydrophobicContact CD1-CD1 3.98Å; L13-F57 HydrophobicContact CD1-CD2 4.46Å; L13-F57 HydrophobicContact CD1-CG 3.9Å; L13-F57 HydrophobicContact CD2-CD1 4.02Å; L13-F57 HydrophobicContact CD2-CD2 4.02Å; L13-F57 HydrophobicContact CD2-CE1 3.89Å; L13-F57 HydrophobicContact CD2-CE2 3.88Å; L13-F57 HydrophobicContact CD2-CG 4.09Å; L13-F57 HydrophobicContact CD2-CZ 3.84Å; L13-F57 HydrophobicContact CG-CD1 3.88Å; L13-F57 HydrophobicContact CG-CE1 4.06Å; L13-F57 HydrophobicContact CG-CG 4.18Å; Y44-F57 HydrophobicContact CD1-CE2 4.12Å; Y44-F57 HydrophobicContact CD1-CZ 4.39Å; Y44-F57 AromaticContact CE1-CE2 3.92Å; Y44-F57 HydrophobicContact CE1-CE2 3.92Å; Y44-F57 AromaticContact CE1-CZ 3.8Å; Y44-F57 HydrophobicContact CE1-CZ 3.8Å; V45-F57 HydrophobicContact CB-CD2 4.4Å; V45-F57 HydrophobicContact CG1-CD2 4.28Å; V45-F57 HydrophobicContact CG2-CD2 4.17Å; Y48-F57 AromaticContact CD1-CE2 3.84Å; Y48-F57 HydrophobicContact CD1-CE2 3.84Å; Y48-F57 HydrophobicContact CD1-CZ 4.02Å; Y48-F57 HydrophobicContact CD2-CD2 4.47Å; Y48-F57 AromaticContact CD2-CE2 3.5Å; Y48-F57 HydrophobicContact CD2-CE2 3.5Å; Y48-F57 HydrophobicContact CD2-CZ 4.1Å; Y48-F57 HydrophobicContact CE1-CE2 4.23Å; Y48-F57 AromaticContact CE1-CZ 3.99Å; Y48-F57 HydrophobicContact CE1-CZ 3.99Å; Y48-F57 AromaticContact CE2-CE2 3.91Å; Y48-F57 HydrophobicContact CE2-CE2 3.91Å; Y48-F57 HydrophobicContact CE2-CZ 4.06Å; Y48-F57 HydrophobicContact CG-CD2 4.14Å; Y48-F57 AromaticContact CG-CE2 3.45Å; Y48-F57 HydrophobicContact CG-CE2 3.45Å; Y48-F57 VanDerWaalsContact CG-CE2 3.45Å; Y48-F57 HydrophobicContact CG-CZ 4.07Å; Y48-F57 AromaticContact CZ-CZ 4Å; F57-C59 PolarHBondContact O-N 2.82Å; F57-C59 VanDerWaalsContact O-N 3.1Å; F57-P79 VanDerWaalsContact O-CB 3.29Å; F57-P79 WeakPolarHBondContact O-CB 3.43Å |
| 58 | G | 94.9 | Very high | 94.5 | Very high | 36 Ų | 36 | 61 Ų | 61 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -83.9 | 32.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | G5 L6 D9 P56 | G5-G58 WeakPolarHBondContact CA-O 3.38Å; L6-G58 PolarHBondContact N-O 3.26Å; D9-G58 PolarHBondContact OD2-N 3.3Å; P56-G58 PolarHBondContact O-N 3.19Å |
| 59 | C | 95.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.02 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 148.4 | -178.1 | 66.8 | 0 | 0 | 0 | 0 | 113 | A4 A10 L13 F57 | A4-C59 CarbonylContact O-C 3.47Å; A4-C59 VanDerWaalsContact O-CA 3.27Å; A4-C59 WeakPolarHBondContact O-CA 3.47Å; A4-C59 WeakPolarHBondContact O-CB 3.25Å; A10-C59 HydrophobicContact CB-CB 4.27Å; L13-C59 VanDerWaalsContact CD1-SG 3.55Å; F57-C59 PolarHBondContact O-N 2.82Å; F57-C59 VanDerWaalsContact O-N 3.1Å |
| 60 | S | 96.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 152.1 | 165 | -59.8 | 0 | 0 | 0 | 0 | 108.5 | A4 I77 P79 | A4-S60 PolarHBondContact N-O 3.27Å; A4-S60 PolarHBondContact O-N 3.31Å; S60-I77 WeakPolarHBondContact CA-O 3.48Å; S60-P79 WeakPolarHBondContact OG-CD 3.15Å |
| 61 | F | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 156.6 | 177.8 | 55.8 | -84.8 | 0 | 0 | 0 | 111.9 | M1 A2 V3 L13 V41 V45 L63 M76 I77 | M1-F61 HydrophobicContact CE-CB 3.61Å; M1-F61 HydrophobicContact CE-CD1 3.96Å; M1-F61 HydrophobicContact CE-CD2 3.42Å; M1-F61 VanDerWaalsContact CE-CD2 3.42Å; M1-F61 HydrophobicContact CE-CE2 4.04Å; M1-F61 HydrophobicContact CE-CG 3.37Å; M1-F61 HydrophobicContact CG-CB 4.26Å; M1-F61 HydrophobicContact CG-CD2 4.36Å; M1-F61 HydrophobicContact SD-CD2 4.41Å; A2-F61 CarbonylContact O-C 3.51Å; A2-F61 WeakPolarHBondContact O-CA 3.34Å; A2-F61 VanDerWaalsContact O-CB 3.25Å; A2-F61 WeakPolarHBondContact O-CB 3.45Å; V3-F61 HydrophobicContact CB-CB 4.42Å; V3-F61 HydrophobicContact CG1-CB 3.89Å; L13-F61 HydrophobicContact CD1-CD1 3.97Å; L13-F61 HydrophobicContact CD1-CE1 3.57Å; L13-F61 HydrophobicContact CD1-CZ 4.43Å; V41-F61 HydrophobicContact CB-CZ 4.47Å; V41-F61 HydrophobicContact CG1-CE2 3.83Å; V41-F61 HydrophobicContact CG1-CZ 3.48Å; V41-F61 VanDerWaalsContact CG1-CZ 3.48Å; V45-F61 HydrophobicContact CG2-CE1 4.18Å; V45-F61 HydrophobicContact CG2-CZ 4.29Å; F61-L63 HydrophobicContact CD2-CD2 4.2Å; F61-L63 HydrophobicContact CD2-CG 4.15Å; F61-L63 HydrophobicContact CE2-CD1 4.29Å; F61-L63 HydrophobicContact CE2-CD2 4.5Å; F61-L63 HydrophobicContact CE2-CG 4.29Å; F61-M76 WeakPolarHBondContact O-CA 3.21Å; F61-I77 HydrophobicContact CD2-CB 4.42Å; F61-I77 HydrophobicContact CD2-CD1 4.27Å; F61-I77 HydrophobicContact CE1-CB 4.06Å; F61-I77 HydrophobicContact CE1-CG2 3.95Å; F61-I77 HydrophobicContact CE2-CB 3.88Å; F61-I77 HydrophobicContact CE2-CD1 3.35Å; F61-I77 HydrophobicContact CE2-CG1 4.19Å; F61-I77 HydrophobicContact CE2-CG2 4.38Å; F61-I77 HydrophobicContact CZ-CB 3.64Å; F61-I77 HydrophobicContact CZ-CD1 3.66Å; F61-I77 HydrophobicContact CZ-CG1 4.27Å; F61-I77 HydrophobicContact CZ-CG2 3.65Å; F61-I77 PolarHBondContact N-O 3.33Å; F61-I77 VanDerWaalsContact N-O 3.1Å; F61-I77 PolarHBondContact O-N 3.26Å |
| 62 | M | 97.3 | Very high | 94 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134 | -179.5 | -63.6 | 169.8 | 57.8 | 0 | 0 | 109.6 | M1 A2 L74 Y75 M76 C89 I91 | M1-M62 CarbonylContact C-O 3.57Å; M1-M62 WeakPolarHBondContact CA-O 2.76Å; A2-M62 HydrophobicContact CB-CB 4.41Å; A2-M62 PolarHBondContact N-O 2.95Å; A2-M62 PolarHBondContact O-N 3.49Å; M62-L74 HydrophobicContact CB-CD1 4.38Å; M62-L74 HydrophobicContact CE-CD1 3.8Å; M62-L74 HydrophobicContact CE-CD2 3.95Å; M62-L74 HydrophobicContact CE-CG 4.27Å; M62-Y75 CarbonylContact C-O 3.59Å; M62-Y75 VanDerWaalsContact CA-O 3.26Å; M62-Y75 WeakPolarHBondContact CA-O 3.41Å; M62-M76 HydrophobicContact CG-CB 4.06Å; M62-M76 HydrophobicContact CG-CG 3.84Å; M62-C89 HydrophobicContact CE-CB 3.68Å; M62-C89 WeakPolarHBondContact CE-O 3.4Å; M62-C89 HydrophobicContact SD-CB 4.26Å; M62-I91 HydrophobicContact CG-CD1 3.99Å; M62-I91 HydrophobicContact CG-CG1 4.45Å; M62-I91 HydrophobicContact SD-CD1 4.14Å; M62-I91 HydrophobicContact SD-CG1 3.98Å; M62-I91 HydrophobicContact SD-CG2 4.46Å |
| 63 | L | 97 | Very high | 94.1 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.4 | 175.5 | -60.1 | 178.3 | 0 | 0 | 0 | 107.9 | M1 L34 L37 A38 F61 L74 Y75 I77 | M1-L63 HydrophobicContact CB-CD2 3.88Å; M1-L63 HydrophobicContact CG-CD2 3.75Å; M1-L63 HydrophobicContact SD-CD2 4.22Å; L34-L63 HydrophobicContact CD1-CB 3.74Å; L34-L63 HydrophobicContact CG-CB 4.47Å; L37-L63 HydrophobicContact CG-CD1 4.36Å; A38-L63 HydrophobicContact CB-CD1 4.15Å; F61-L63 HydrophobicContact CD2-CD2 4.2Å; F61-L63 HydrophobicContact CD2-CG 4.15Å; F61-L63 HydrophobicContact CE2-CD1 4.29Å; F61-L63 HydrophobicContact CE2-CD2 4.5Å; F61-L63 HydrophobicContact CE2-CG 4.29Å; L63-L74 WeakPolarHBondContact O-CA 3.45Å; L63-Y75 PolarHBondContact N-O 2.82Å; L63-Y75 PolarHBondContact O-N 3.5Å; L63-I77 HydrophobicContact CD1-CD1 3.95Å |
| 64 | G | 96.2 | Very high | 94.2 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q73 | G64-Q73 WeakPolarHBondContact CA-O 3.42Å |
| 65 | S | 95.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 51.6 Ų | 51.6 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 157.9 | 177.3 | -169 | 0 | 0 | 0 | 0 | 110.6 | Q73 | S65-Q73 PolarHBondContact N-O 3.23Å; S65-Q73 PolarHBondContact O-N 3Å |
| 66 | Y | 95.1 | Very high | 94.4 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133 | 173.4 | 175.7 | -91.6 | 0 | 0 | 0 | 109.7 | A72 E144 G148 | Y66-A72 HydrophobicContact CD2-CB 4.03Å; Y66-E144 HydrophobicContact CE1-CB 3.96Å; Y66-G148 WeakPolarHBondContact O-CA 3.4Å |
| 67 | S | 92.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 42.2 Ų | 42.2 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.5 | 174.1 | 167.2 | 0 | 0 | 0 | 0 | 108.2 | N69 D70 G71 | S67-N69 PolarHBondContact O-N 3.48Å; S67-N69 PolarHBondContact OG-N 2.95Å; S67-D70 WeakPolarHBondContact CB-OD2 3.47Å; S67-D70 PolarHBondContact O-N 3.04Å; S67-D70 PolarHBondContact OG-OD2 3.17Å; S67-G71 PolarHBondContact N-O 3.43Å; S67-G71 VanDerWaalsContact O-CA 3.3Å; S67-G71 WeakPolarHBondContact O-CA 3.41Å; S67-G71 PolarHBondContact O-N 2.95Å |
| 68 | V | 89.6 | Confident | 94.5 | Very high | 127 Ų | 127 | 43.6 Ų | 43.6 | 77% | 0.77 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.7 | 177.8 | -178.9 | 0 | 0 | 0 | 0 | 111 | ||
| 69 | N | 89.4 | Confident | 94.5 | Very high | 151 Ų | 151 | 44 Ų | 44 | 81% | 0.807 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -34 | -178.2 | -61.4 | -18.6 | 0 | 0 | 0 | 112.9 | S67 | S67-N69 PolarHBondContact O-N 3.48Å; S67-N69 PolarHBondContact OG-N 2.95Å |
| 70 | D | 86.6 | Confident | 94.4 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -10.2 | -172.2 | -53.6 | -72.2 | 0 | 0 | 0 | 113.7 | S67 Q73 | S67-D70 WeakPolarHBondContact CB-OD2 3.47Å; S67-D70 PolarHBondContact O-N 3.04Å; S67-D70 PolarHBondContact OG-OD2 3.17Å; D70-Q73 PolarHBondContact O-NE2 3.43Å; D70-Q73 VanDerWaalsContact O-NE2 3.12Å |
| 71 | G | 91.3 | Very high | 94.2 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.5 | -169.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S67 | S67-G71 PolarHBondContact N-O 3.43Å; S67-G71 VanDerWaalsContact O-CA 3.3Å; S67-G71 WeakPolarHBondContact O-CA 3.41Å; S67-G71 PolarHBondContact O-N 2.95Å |
| 72 | A | 93.3 | Very high | 94.2 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 69% | 0.686 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y66 | Y66-A72 HydrophobicContact CD2-CB 4.03Å |
| 73 | Q | 95.1 | Very high | 94.1 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 138.3 | -177.7 | -61.6 | -177.1 | -16.6 | 0 | 0 | 110.4 | L34 G64 S65 D70 Y75 | L34-Q73 HydrophobicContact CB-CB 4.39Å; L34-Q73 HydrophobicContact CD2-CB 3.57Å; L34-Q73 VanDerWaalsContact CD2-O 3.23Å; L34-Q73 WeakPolarHBondContact CD2-O 3.48Å; G64-Q73 WeakPolarHBondContact CA-O 3.42Å; S65-Q73 PolarHBondContact N-O 3.23Å; S65-Q73 PolarHBondContact O-N 3Å; D70-Q73 PolarHBondContact O-NE2 3.43Å; D70-Q73 VanDerWaalsContact O-NE2 3.12Å; Q73-Y75 HydrophobicContact CB-CE2 4.41Å |
| 74 | L | 95.9 | Very high | 94 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 124 | 175.9 | 176.9 | 67.8 | 0 | 0 | 0 | 109 | M62 L63 G85 Y86 C89 | M62-L74 HydrophobicContact CB-CD1 4.38Å; M62-L74 HydrophobicContact CE-CD1 3.8Å; M62-L74 HydrophobicContact CE-CD2 3.95Å; M62-L74 HydrophobicContact CE-CG 4.27Å; L63-L74 WeakPolarHBondContact O-CA 3.45Å; L74-G85 CarbonylContact O-C 3.57Å; L74-G85 WeakPolarHBondContact O-CA 3.47Å; L74-Y86 WeakPolarHBondContact CB-O 3.27Å; L74-Y86 PolarHBondContact O-N 3.13Å; L74-C89 HydrophobicContact CD2-CB 4.37Å |
| 75 | Y | 97.6 | Very high | 94 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146 | 176.7 | -80.1 | -99.4 | 0 | 0 | 0 | 110.4 | L34 K35 A38 M62 L63 Q73 Y84 | L34-Y75 HydrophobicContact CD2-CD2 3.87Å; L34-Y75 HydrophobicContact CG-CD2 4.13Å; K35-Y75 HydrophobicContact CB-CE2 4.21Å; K35-Y75 HydrophobicContact CG-CE1 4.41Å; K35-Y75 WeakPolarHBondContact CG-OH 3.5Å; A38-Y75 HydrophobicContact CB-CD1 3.99Å; A38-Y75 HydrophobicContact CB-CG 3.94Å; M62-Y75 CarbonylContact C-O 3.59Å; M62-Y75 VanDerWaalsContact CA-O 3.26Å; M62-Y75 WeakPolarHBondContact CA-O 3.41Å; L63-Y75 PolarHBondContact N-O 2.82Å; L63-Y75 PolarHBondContact O-N 3.5Å; Q73-Y75 HydrophobicContact CB-CE2 4.41Å; Y75-Y84 CarbonylContact C-O 3.52Å; Y75-Y84 VanDerWaalsContact CA-O 3.27Å; Y75-Y84 WeakPolarHBondContact CA-O 3.49Å |
| 76 | M | 96.8 | Very high | 94 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.044 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.9 | 171.5 | -174.3 | -80.5 | -62.4 | 0 | 0 | 109.2 | F61 M62 D78 Y84 Y86 I91 | F61-M76 WeakPolarHBondContact O-CA 3.21Å; M62-M76 HydrophobicContact CG-CB 4.06Å; M62-M76 HydrophobicContact CG-CG 3.84Å; M76-D78 HydrophobicContact SD-CB 4.37Å; M76-Y84 PolarHBondContact N-O 3.07Å; M76-Y84 PolarHBondContact O-N 3.27Å; M76-Y84 VanDerWaalsContact O-N 3.1Å; M76-Y86 HydrophobicContact CB-CD2 3.78Å; M76-Y86 HydrophobicContact CB-CE2 3.59Å; M76-Y86 HydrophobicContact CE-CE2 3.95Å; M76-Y86 WeakPolarHBondContact CE-OH 3.45Å; M76-I91 HydrophobicContact CG-CG2 3.8Å; M76-I91 HydrophobicContact SD-CG2 4.17Å |
| 77 | I | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.3 | 178.8 | -63 | 153.3 | 0 | 0 | 0 | 108.8 | A38 V41 A42 S60 F61 L63 V82 | A38-I77 HydrophobicContact CB-CD1 4.11Å; A38-I77 WeakPolarHBondContact O-CD1 3.45Å; V41-I77 HydrophobicContact CB-CD1 4.48Å; A42-I77 HydrophobicContact CB-CD1 4.33Å; A42-I77 HydrophobicContact CB-CG1 4.19Å; A42-I77 HydrophobicContact CB-CG2 4.09Å; S60-I77 WeakPolarHBondContact CA-O 3.48Å; F61-I77 HydrophobicContact CD2-CB 4.42Å; F61-I77 HydrophobicContact CD2-CD1 4.27Å; F61-I77 HydrophobicContact CE1-CB 4.06Å; F61-I77 HydrophobicContact CE1-CG2 3.95Å; F61-I77 HydrophobicContact CE2-CB 3.88Å; F61-I77 HydrophobicContact CE2-CD1 3.35Å; F61-I77 HydrophobicContact CE2-CG1 4.19Å; F61-I77 HydrophobicContact CE2-CG2 4.38Å; F61-I77 HydrophobicContact CZ-CB 3.64Å; F61-I77 HydrophobicContact CZ-CD1 3.66Å; F61-I77 HydrophobicContact CZ-CG1 4.27Å; F61-I77 HydrophobicContact CZ-CG2 3.65Å; F61-I77 PolarHBondContact N-O 3.33Å; F61-I77 VanDerWaalsContact N-O 3.1Å; F61-I77 PolarHBondContact O-N 3.26Å; L63-I77 HydrophobicContact CD1-CD1 3.95Å; I77-V82 WeakPolarHBondContact CA-O 3.39Å |
| 78 | D | 94.7 | Very high | 93.8 | Very high | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | trans | -98 | 165.5 | 176.5 | 72.8 | 28.1 | 0 | 0 | 0 | 112.3 | M76 S80 G81 V82 | M76-D78 HydrophobicContact SD-CB 4.37Å; D78-S80 PolarHBondContact O-N 3.43Å; D78-S80 WeakPolarHBondContact OD1-CA 3.47Å; D78-S80 VanDerWaalsContact OD1-CB 3.29Å; D78-S80 WeakPolarHBondContact OD1-CB 3.5Å; D78-S80 PolarHBondContact OD1-N 3Å; D78-S80 PolarHBondContact OD1-OG 2.98Å; D78-G81 PolarHBondContact O-N 3.36Å; D78-G81 PolarHBondContact OD1-N 3.5Å; D78-V82 PolarHBondContact N-O 2.76Å; D78-V82 PolarHBondContact OD1-N 3.37Å | ||
| 79 | P | 94.4 | Very high | 94.1 | Very high | 44 Ų | 44 | 58.5 Ų | 58.5 | 29% | 0.286 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -18.6 | 176.7 | -34.1 | 38.4 | 0 | 0 | 0 | 116.3 | V45 T49 F57 S60 G81 | V45-P79 WeakPolarHBondContact CG1-O 3.42Å; T49-P79 WeakPolarHBondContact CG2-O 3.38Å; F57-P79 VanDerWaalsContact O-CB 3.29Å; F57-P79 WeakPolarHBondContact O-CB 3.43Å; S60-P79 WeakPolarHBondContact OG-CD 3.15Å; P79-G81 VanDerWaalsContact C-N 3.25Å |
| 80 | S | 93.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 37% | 0.371 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.6 | 177.9 | 77.9 | 0 | 0 | 0 | 0 | 112.7 | H46 D78 V82 | H46-S80 PolarHBondContact ND1-O 2.79Å; D78-S80 PolarHBondContact O-N 3.43Å; D78-S80 WeakPolarHBondContact OD1-CA 3.47Å; D78-S80 VanDerWaalsContact OD1-CB 3.29Å; D78-S80 WeakPolarHBondContact OD1-CB 3.5Å; D78-S80 PolarHBondContact OD1-N 3Å; D78-S80 PolarHBondContact OD1-OG 2.98Å; S80-V82 VanDerWaalsContact OG-CG2 3.27Å; S80-V82 WeakPolarHBondContact OG-CG2 3.41Å |
| 81 | G | 93.4 | Very high | 94.7 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | trans | 85.3 | 20.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A42 D78 P79 | A42-G81 WeakPolarHBondContact CB-O 3.07Å; A42-G81 WeakPolarHBondContact O-CA 3.44Å; D78-G81 PolarHBondContact O-N 3.36Å; D78-G81 PolarHBondContact OD1-N 3.5Å; P79-G81 VanDerWaalsContact C-N 3.25Å | ||
| 82 | V | 95.1 | Very high | 94.7 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | trans | -86.6 | 130.6 | 173.5 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | I77 D78 S80 Y84 | I77-V82 WeakPolarHBondContact CA-O 3.39Å; D78-V82 PolarHBondContact N-O 2.76Å; D78-V82 PolarHBondContact OD1-N 3.37Å; S80-V82 VanDerWaalsContact OG-CG2 3.27Å; S80-V82 WeakPolarHBondContact OG-CG2 3.41Å; V82-Y84 HydrophobicContact CG1-CD2 3.58Å; V82-Y84 HydrophobicContact CG1-CE2 3.17Å; V82-Y84 HydrophobicContact CG1-CG 4.48Å | ||
| 83 | S | 95.5 | Very high | 94.5 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127 | 178.9 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 84 | Y | 96.1 | Very high | 94.3 | Very high | 142 Ų | 142 | 54.7 Ų | 54.7 | 56% | 0.557 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.4 | 174.7 | -74.5 | -60.3 | 0 | 0 | 0 | 111.8 | Y75 M76 V82 Y86 | Y75-Y84 CarbonylContact C-O 3.52Å; Y75-Y84 VanDerWaalsContact CA-O 3.27Å; Y75-Y84 WeakPolarHBondContact CA-O 3.49Å; M76-Y84 PolarHBondContact N-O 3.07Å; M76-Y84 PolarHBondContact O-N 3.27Å; M76-Y84 VanDerWaalsContact O-N 3.1Å; V82-Y84 HydrophobicContact CG1-CD2 3.58Å; V82-Y84 HydrophobicContact CG1-CE2 3.17Å; V82-Y84 HydrophobicContact CG1-CG 4.48Å; Y84-Y86 VanDerWaalsContact CB-CE2 3.47Å; Y84-Y86 WeakPolarHBondContact O-CD2 3.4Å; Y84-Y86 VanDerWaalsContact O-CE2 3.29Å; Y84-Y86 WeakPolarHBondContact O-CE2 3.48Å |
| 85 | G | 95.7 | Very high | 94.2 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L74 | L74-G85 CarbonylContact O-C 3.57Å; L74-G85 WeakPolarHBondContact O-CA 3.47Å |
| 86 | Y | 94.7 | Very high | 94 | Very high | 68 Ų | 68 | 62.4 Ų | 62.4 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | trans | -130.8 | 151.8 | -176.3 | -68.1 | -90.6 | 0 | 0 | 0 | 111.7 | L74 M76 Y84 C89 | L74-Y86 WeakPolarHBondContact CB-O 3.27Å; L74-Y86 PolarHBondContact O-N 3.13Å; M76-Y86 HydrophobicContact CB-CD2 3.78Å; M76-Y86 HydrophobicContact CB-CE2 3.59Å; M76-Y86 HydrophobicContact CE-CE2 3.95Å; M76-Y86 WeakPolarHBondContact CE-OH 3.45Å; Y84-Y86 VanDerWaalsContact CB-CE2 3.47Å; Y84-Y86 WeakPolarHBondContact O-CD2 3.4Å; Y84-Y86 VanDerWaalsContact O-CE2 3.29Å; Y84-Y86 WeakPolarHBondContact O-CE2 3.48Å; Y86-C89 HydrophobicContact CD1-CB 4.09Å; Y86-C89 HydrophobicContact CD2-CB 4.25Å; Y86-C89 HydrophobicContact CG-CB 3.79Å | ||
| 87 | W | 91.7 | Very high | 93.8 | Very high | 203 Ų | 203 | 64.2 Ų | 64.2 | 77% | 0.769 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -83.6 | -46.8 | 165.3 | -68.7 | 99.8 | 0 | 0 | 0 | 110.9 | K108 | W87-K108 HydrophobicContact CZ3-CG 4.48Š|
| 88 | G | 93.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 64.7 Ų | 64.7 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -136.3 | 141.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 89 | C | 94.1 | Very high | 93.7 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 14% | 0.135 | 36% | 0.363 | C | S | . | . | trans | -144.5 | 145.3 | -179.1 | -167.6 | 0 | 0 | 0 | 0 | 110.1 | M62 L74 Y86 | M62-C89 HydrophobicContact CE-CB 3.68Å; M62-C89 WeakPolarHBondContact CE-O 3.4Å; M62-C89 HydrophobicContact SD-CB 4.26Å; L74-C89 HydrophobicContact CD2-CB 4.37Å; Y86-C89 HydrophobicContact CD1-CB 4.09Å; Y86-C89 HydrophobicContact CD2-CB 4.25Å; Y86-C89 HydrophobicContact CG-CB 3.79Å | ||
| 90 | A | 95.4 | Very high | 93.7 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | trans | -130.6 | 143.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | R95 A98 I102 | A90-R95 WeakPolarHBondContact O-CD 3.44Å; A90-R95 VanDerWaalsContact O-CG 3.3Å; A90-R95 WeakPolarHBondContact O-CG 3.35Å; A90-R95 PolarHBondContact O-NE 2.69Å; A90-A98 HydrophobicContact CB-CB 3.59Å; A90-I102 HydrophobicContact CB-CD1 4.06Å | ||
| 91 | I | 94.6 | Very high | 93.7 | Very high | 37 Ų | 37 | 66.5 Ų | 66.5 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | trans | -136.6 | 149.4 | 177.4 | 56.5 | 171.9 | 0 | 0 | 0 | 109.2 | A4 M62 M76 | A4-I91 HydrophobicContact CB-CB 4.18Å; A4-I91 HydrophobicContact CB-CD1 3.63Å; A4-I91 HydrophobicContact CB-CG1 3.7Å; M62-I91 HydrophobicContact CG-CD1 3.99Å; M62-I91 HydrophobicContact CG-CG1 4.45Å; M62-I91 HydrophobicContact SD-CD1 4.14Å; M62-I91 HydrophobicContact SD-CG1 3.98Å; M62-I91 HydrophobicContact SD-CG2 4.46Å; M76-I91 HydrophobicContact CG-CG2 3.8Å; M76-I91 HydrophobicContact SD-CG2 4.17Å | ||
| 92 | G | 91.6 | Very high | 93.7 | Very high | 49 Ų | 49 | 67.1 Ų | 67.1 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 106.3 | -156.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 93 | K | 88.7 | Confident | 93.6 | Very high | 167 Ų | 167 | 70.3 Ų | 70.3 | 73% | 0.726 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 149.9 | 175.1 | -67.5 | -174.7 | -179.3 | -176.7 | 0 | 110 | R95 D132 | K93-R95 PolarHBondContact O-N 3.27Å; K93-D132 IonicContact NZ-OD1 3.79Å; K93-D132 PolarHBondContact NZ-OD1 3.49Å |
| 94 | A | 91.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 75.6 Ų | 75.6 | 41% | 0.405 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 24.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q96 A97 A98 V126 | A94-Q96 PolarHBondContact O-N 3.3Å; A94-Q96 VanDerWaalsContact O-N 3.1Å; A94-A97 HydrophobicContact CB-CB 4.43Å; A94-A97 PolarHBondContact O-N 3.22Å; A94-A98 PolarHBondContact O-N 2.88Å; A94-V126 HydrophobicContact CB-CB 4.09Å |
| 95 | R | 92.9 | Very high | 93.2 | Very high | 116 Ų | 116 | 70.3 Ų | 70.3 | 44% | 0.438 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -47.6 | -43.3 | 179 | 171.2 | 176 | -177.7 | -161.2 | -0.1 | 113.5 | A90 K93 K99 | A90-R95 WeakPolarHBondContact O-CD 3.44Å; A90-R95 VanDerWaalsContact O-CG 3.3Å; A90-R95 WeakPolarHBondContact O-CG 3.35Å; A90-R95 PolarHBondContact O-NE 2.69Å; K93-R95 PolarHBondContact O-N 3.27Å; R95-K99 WeakPolarHBondContact O-CB 3.49Å; R95-K99 PolarHBondContact O-N 3.28Å |
| 96 | Q | 93.1 | Very high | 92.9 | Very high | 128 Ų | 128 | 73.9 Ų | 73.9 | 60% | 0.598 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69.1 | -40.8 | -177.4 | -174.1 | 58 | 40.6 | 0 | 0 | 111.9 | A94 K99 T100 | A94-Q96 PolarHBondContact O-N 3.3Å; A94-Q96 VanDerWaalsContact O-N 3.1Å; Q96-K99 WeakPolarHBondContact O-CB 3.38Å; Q96-K99 PolarHBondContact O-N 2.99Å; Q96-T100 PolarHBondContact O-N 2.65Å; Q96-T100 VanDerWaalsContact O-N 3.09Å |
| 97 | A | 93.3 | Very high | 92.3 | Very high | 48 Ų | 48 | 73.4 Ų | 73.4 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A94 K99 T100 E101 V126 | A94-A97 HydrophobicContact CB-CB 4.43Å; A94-A97 PolarHBondContact O-N 3.22Å; A97-K99 VanDerWaalsContact C-N 3.28Å; A97-K99 PolarHBondContact O-N 2.95Å; A97-T100 WeakPolarHBondContact CA-OG1 3.37Å; A97-T100 PolarHBondContact O-N 3.06Å; A97-T100 PolarHBondContact O-OG1 2.86Å; A97-E101 PolarHBondContact O-N 3.3Å; A97-V126 HydrophobicContact CB-CG1 4.17Å |
| 98 | A | 94.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 71.6 Ų | 71.6 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A90 A94 T100 E101 I102 I122 V126 | A90-A98 HydrophobicContact CB-CB 3.59Å; A94-A98 PolarHBondContact O-N 2.88Å; A98-T100 PolarHBondContact O-N 3.05Å; A98-E101 PolarHBondContact O-N 3.37Å; A98-I102 WeakPolarHBondContact O-CB 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.29Å; A98-I102 PolarHBondContact O-N 3.32Å; A98-I122 HydrophobicContact CB-CG2 4.23Å; A98-V126 HydrophobicContact CB-CG1 3.98Å |
| 99 | K | 94.2 | Very high | 91.6 | Very high | 88 Ų | 88 | 78.5 Ų | 78.5 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 178.6 | -167.7 | 175.9 | -176.6 | -90.5 | 0 | 112.3 | R95 Q96 A97 E101 I102 E103 | R95-K99 WeakPolarHBondContact O-CB 3.49Å; R95-K99 PolarHBondContact O-N 3.28Å; Q96-K99 WeakPolarHBondContact O-CB 3.38Å; Q96-K99 PolarHBondContact O-N 2.99Å; A97-K99 VanDerWaalsContact C-N 3.28Å; A97-K99 PolarHBondContact O-N 2.95Å; K99-E101 VanDerWaalsContact C-N 3.33Å; K99-E101 PolarHBondContact O-N 2.73Å; K99-I102 PolarHBondContact O-N 2.74Å; K99-E103 WeakPolarHBondContact CE-OE1 3.33Å; K99-E103 IonicContact NZ-OE1 2.67Å; K99-E103 PolarHBondContact NZ-OE1 2.83Å; K99-E103 VanDerWaalsContact O-CG 3.29Å; K99-E103 WeakPolarHBondContact O-CG 3.36Å; K99-E103 PolarHBondContact O-N 2.7Å |
| 100 | T | 94.9 | Very high | 91.4 | Very high | 58 Ų | 58 | 80.2 Ų | 80.2 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | Q96 A97 A98 | Q96-T100 PolarHBondContact O-N 2.65Å; Q96-T100 VanDerWaalsContact O-N 3.09Å; A97-T100 WeakPolarHBondContact CA-OG1 3.37Å; A97-T100 PolarHBondContact O-N 3.06Å; A97-T100 PolarHBondContact O-OG1 2.86Å; A98-T100 PolarHBondContact O-N 3.05Å |
| 101 | E | 93.4 | Very high | 91.2 | Very high | 33 Ų | 33 | 83.1 Ų | 83.1 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -71.5 | -41.7 | 174.1 | -61.4 | -50.6 | 120.5 | 0 | 0 | 112.2 | A97 A98 K99 E103 K104 I122 I125 | A97-E101 PolarHBondContact O-N 3.3Å; A98-E101 PolarHBondContact O-N 3.37Å; K99-E101 VanDerWaalsContact C-N 3.33Å; K99-E101 PolarHBondContact O-N 2.73Å; E101-E103 PolarHBondContact O-N 3.05Å; E101-K104 WeakPolarHBondContact O-CB 3.34Å; E101-K104 PolarHBondContact O-N 3.09Å; E101-K104 VanDerWaalsContact O-N 3.07Å; E101-K104 WeakPolarHBondContact OE1-CE 3.3Å; E101-K104 IonicContact OE1-NZ 3.96Å; E101-K104 PolarHBondContact OE1-NZ 2.87Å; E101-K104 WeakPolarHBondContact OE2-CD 3.46Å; E101-K104 WeakPolarHBondContact OE2-CE 3.47Å; E101-K104 IonicContact OE2-NZ 3.67Å; E101-K104 PolarHBondContact OE2-NZ 3.1Å; E101-I122 HydrophobicContact CB-CB 4.49Å; E101-I122 HydrophobicContact CB-CD1 4.14Å; E101-I122 HydrophobicContact CB-CG1 3.71Å; E101-I122 HydrophobicContact CB-CG2 4.14Å; E101-I125 HydrophobicContact CG-CG2 4.32Å |
| 102 | I | 93.9 | Very high | 90.8 | Very high | 28 Ų | 28 | 83.9 Ų | 83.9 | 14% | 0.144 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -55.7 | -39 | 174.4 | -76.7 | 170.4 | 0 | 0 | 0 | 111.6 | A90 A98 K99 K104 L105 M107 I122 | A90-I102 HydrophobicContact CB-CD1 4.06Å; A98-I102 WeakPolarHBondContact O-CB 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.29Å; A98-I102 PolarHBondContact O-N 3.32Å; K99-I102 PolarHBondContact O-N 2.74Å; I102-K104 VanDerWaalsContact C-N 3.25Å; I102-K104 PolarHBondContact O-N 3.1Å; I102-L105 PolarHBondContact O-N 3.48Å; I102-M107 HydrophobicContact CB-CE 4.41Å; I102-M107 HydrophobicContact CG2-CE 3.63Å; I102-I122 HydrophobicContact CG1-CD1 3.91Å |
| 103 | E | 92.9 | Very high | 90.7 | Very high | 118 Ų | 118 | 87.5 Ų | 87.5 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.9 | -19.6 | -179.6 | -76.7 | 171.5 | -177.3 | 0 | 0 | 113.5 | K99 E101 L105 | K99-E103 WeakPolarHBondContact CE-OE1 3.33Å; K99-E103 IonicContact NZ-OE1 2.67Å; K99-E103 PolarHBondContact NZ-OE1 2.83Å; K99-E103 VanDerWaalsContact O-CG 3.29Å; K99-E103 WeakPolarHBondContact O-CG 3.36Å; K99-E103 PolarHBondContact O-N 2.7Å; E101-E103 PolarHBondContact O-N 3.05Å; E103-L105 VanDerWaalsContact C-N 3.3Å |
| 104 | K | 92.1 | Very high | 90.9 | Very high | 137 Ų | 137 | 82.9 Ų | 82.9 | 60% | 0.596 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.5 | -20.2 | 174.5 | -61.2 | 173.7 | -171.9 | 170.3 | 0 | 112.6 | E101 I102 | E101-K104 WeakPolarHBondContact O-CB 3.34Å; E101-K104 PolarHBondContact O-N 3.09Å; E101-K104 VanDerWaalsContact O-N 3.07Å; E101-K104 WeakPolarHBondContact OE1-CE 3.3Å; E101-K104 IonicContact OE1-NZ 3.96Å; E101-K104 PolarHBondContact OE1-NZ 2.87Å; E101-K104 WeakPolarHBondContact OE2-CD 3.46Å; E101-K104 WeakPolarHBondContact OE2-CE 3.47Å; E101-K104 IonicContact OE2-NZ 3.67Å; E101-K104 PolarHBondContact OE2-NZ 3.1Å; I102-K104 VanDerWaalsContact C-N 3.25Å; I102-K104 PolarHBondContact O-N 3.1Å |
| 105 | L | 90.9 | Very high | 90.9 | Very high | 30 Ų | 30 | 82.3 Ų | 82.3 | 16% | 0.157 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -84.8 | 137.7 | -173.8 | -58.3 | -179.8 | 0 | 0 | 0 | 113.1 | I102 E103 M107 M110 E118 I122 | I102-L105 PolarHBondContact O-N 3.48Å; E103-L105 VanDerWaalsContact C-N 3.3Å; L105-M107 VanDerWaalsContact C-N 3.33Å; L105-M107 HydrophobicContact CB-CE 4.45Å; L105-M107 HydrophobicContact CB-CG 4.17Å; L105-M107 HydrophobicContact CD1-CE 4.15Å; L105-M107 PolarHBondContact O-N 2.94Å; L105-M107 VanDerWaalsContact O-N 3.15Å; L105-M110 HydrophobicContact CB-SD 4.45Å; L105-E118 HydrophobicContact CD1-CB 3.77Å; L105-E118 HydrophobicContact CD1-CG 4.35Å; L105-E118 HydrophobicContact CD2-CB 4.05Å; L105-E118 HydrophobicContact CD2-CG 3.8Å; L105-I122 HydrophobicContact CD1-CD1 3.81Å |
| 106 | Q | 89.3 | Confident | 91 | Very high | 125 Ų | 125 | 77.3 Ų | 77.3 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | trans | -88.9 | 66.2 | 172.7 | -64.5 | -58.9 | -40 | 0 | 0 | 111.5 | K108 E109 M110 | Q106-K108 PolarHBondContact O-N 3.35Å; Q106-E109 PolarHBondContact O-N 2.92Å; Q106-M110 WeakPolarHBondContact O-CG 3.29Å; Q106-M110 PolarHBondContact O-N 3.42Å | ||
| 107 | M | 83.3 | Confident | 91.1 | Very high | 57 Ų | 57 | 73.9 Ų | 73.9 | 28% | 0.281 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -22.5 | -171.6 | -64 | -175 | 165.4 | 0 | 0 | 115.7 | I102 L105 E109 I115 | I102-M107 HydrophobicContact CB-CE 4.41Å; I102-M107 HydrophobicContact CG2-CE 3.63Å; L105-M107 VanDerWaalsContact C-N 3.33Å; L105-M107 HydrophobicContact CB-CE 4.45Å; L105-M107 HydrophobicContact CB-CG 4.17Å; L105-M107 HydrophobicContact CD1-CE 4.15Å; L105-M107 PolarHBondContact O-N 2.94Å; L105-M107 VanDerWaalsContact O-N 3.15Å; M107-E109 VanDerWaalsContact C-N 3.32Å; M107-I115 HydrophobicContact CG-CD1 4.38Å |
| 108 | K | 82.8 | Confident | 91.1 | Very high | 165 Ų | 165 | 73.1 Ų | 73.1 | 72% | 0.717 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -23.4 | 179.9 | -67.4 | -177.9 | 179.8 | 177.5 | 0 | 113.5 | W87 Q106 | W87-K108 HydrophobicContact CZ3-CG 4.48Å; Q106-K108 PolarHBondContact O-N 3.35Å |
| 109 | E | 87.3 | Confident | 91.2 | Very high | 168 Ų | 168 | 75.4 Ų | 75.4 | 79% | 0.785 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -10.8 | -173.8 | -60.3 | -177.1 | 175.2 | 0 | 0 | 112.1 | Q106 M107 | Q106-E109 PolarHBondContact O-N 2.92Å; M107-E109 VanDerWaalsContact C-N 3.32Å |
| 110 | M | 89.4 | Confident | 91.2 | Very high | 57 Ų | 57 | 71.2 Ų | 71.2 | 28% | 0.281 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -89 | 146.4 | -176.7 | -64 | -175 | 75.9 | 0 | 0 | 112 | L105 Q106 D114 I115 E118 | L105-M110 HydrophobicContact CB-SD 4.45Å; Q106-M110 WeakPolarHBondContact O-CG 3.29Å; Q106-M110 PolarHBondContact O-N 3.42Å; M110-D114 HydrophobicContact CE-CB 3.78Å; M110-I115 HydrophobicContact CB-CD1 3.74Å; M110-I115 HydrophobicContact CB-CG1 3.84Å; M110-I115 HydrophobicContact CE-CD1 4.06Å; M110-I115 HydrophobicContact CG-CD1 4.28Å; M110-I115 HydrophobicContact SD-CD1 3.64Å; M110-E118 HydrophobicContact CE-CG 3.71Å |
| 111 | T | 90.3 | Very high | 91.2 | Very high | 77 Ų | 77 | 70.2 Ų | 70.2 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | trans | -81.3 | 158.4 | 172 | 76.1 | 0 | 0 | 0 | 0 | 110.7 | R113 D114 I115 | T111-R113 PolarHBondContact O-N 3.38Å; T111-R113 VanDerWaalsContact O-N 3.12Å; T111-R113 PolarHBondContact OG1-N 2.99Å; T111-D114 WeakPolarHBondContact CB-OD2 3.46Å; T111-D114 PolarHBondContact N-OD2 3.31Å; T111-D114 PolarHBondContact O-N 3.47Å; T111-D114 VanDerWaalsContact O-N 3.1Å; T111-D114 PolarHBondContact OG1-N 3Å; T111-D114 PolarHBondContact OG1-OD2 2.81Å; T111-I115 WeakPolarHBondContact O-CG1 3.25Å; T111-I115 PolarHBondContact O-N 3.38Å | ||
| 112 | C | 88.1 | Confident | 91.2 | Very high | 54 Ų | 54 | 69.3 Ų | 69.3 | 37% | 0.365 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.7 | -29 | 176.4 | -154.4 | 0 | 0 | 0 | 0 | 112 | V116 | C112-V116 WeakPolarHBondContact O-CG2 3.3Å; C112-V116 PolarHBondContact O-N 2.94Å |
| 113 | R | 88.8 | Confident | 91.3 | Very high | 124 Ų | 124 | 71.1 Ų | 71.1 | 47% | 0.468 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.7 | -37.1 | 178 | -168.6 | 164.6 | -171.4 | 157.9 | 3.5 | 112.9 | T111 E160 | T111-R113 PolarHBondContact O-N 3.38Å; T111-R113 VanDerWaalsContact O-N 3.12Å; T111-R113 PolarHBondContact OG1-N 2.99Å; R113-E160 IonicContact NH2-OE2 2.72Å |
| 114 | D | 91.9 | Very high | 91.3 | Very high | 71 Ų | 71 | 66.5 Ų | 66.5 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.4 | -41.3 | 175.9 | -52 | -43.4 | 0 | 0 | 0 | 110.3 | M110 T111 V116 K117 E118 | M110-D114 HydrophobicContact CE-CB 3.78Å; T111-D114 WeakPolarHBondContact CB-OD2 3.46Å; T111-D114 PolarHBondContact N-OD2 3.31Å; T111-D114 PolarHBondContact O-N 3.47Å; T111-D114 VanDerWaalsContact O-N 3.1Å; T111-D114 PolarHBondContact OG1-N 3Å; T111-D114 PolarHBondContact OG1-OD2 2.81Å; D114-V116 PolarHBondContact O-N 3.19Å; D114-K117 WeakPolarHBondContact O-CB 3.43Å; D114-K117 PolarHBondContact O-N 3.43Å; D114-E118 PolarHBondContact O-N 2.92Å |
| 115 | I | 93.1 | Very high | 91.2 | Very high | 37 Ų | 37 | 62.2 Ų | 62.2 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -34.2 | 177 | -68 | -66.1 | 0 | 0 | 0 | 112.1 | M107 M110 T111 K117 E118 V119 | M107-I115 HydrophobicContact CG-CD1 4.38Å; M110-I115 HydrophobicContact CB-CD1 3.74Å; M110-I115 HydrophobicContact CB-CG1 3.84Å; M110-I115 HydrophobicContact CE-CD1 4.06Å; M110-I115 HydrophobicContact CG-CD1 4.28Å; M110-I115 HydrophobicContact SD-CD1 3.64Å; T111-I115 WeakPolarHBondContact O-CG1 3.25Å; T111-I115 PolarHBondContact O-N 3.38Å; I115-K117 PolarHBondContact O-N 3.47Å; I115-E118 PolarHBondContact O-N 2.87Å; I115-V119 HydrophobicContact CG2-CG2 3.88Å; I115-V119 WeakPolarHBondContact O-CB 3.47Å; I115-V119 VanDerWaalsContact O-CG2 3.24Å; I115-V119 WeakPolarHBondContact O-CG2 3.42Å; I115-V119 PolarHBondContact O-N 3.45Å |
| 116 | V | 94.4 | Very high | 91.2 | Very high | 10 Ų | 10 | 62.4 Ų | 62.4 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.2 | -38.5 | 175.8 | 162.2 | 0 | 0 | 0 | 0 | 111.9 | C112 D114 A120 L139 V153 I157 A161 | C112-V116 WeakPolarHBondContact O-CG2 3.3Å; C112-V116 PolarHBondContact O-N 2.94Å; D114-V116 PolarHBondContact O-N 3.19Å; V116-A120 PolarHBondContact O-N 3.01Å; V116-A120 VanDerWaalsContact O-N 3.15Å; V116-L139 HydrophobicContact CG1-CD1 4.09Å; V116-V153 HydrophobicContact CG1-CG1 4.42Å; V116-V153 HydrophobicContact CG2-CG2 4.3Å; V116-I157 HydrophobicContact CG1-CG2 3.97Å; V116-A161 HydrophobicContact CG1-CB 3.89Å |
| 117 | K | 94.3 | Very high | 91.2 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.4 | -45.7 | 177.3 | -63.7 | -176.7 | 177.7 | -175.3 | 0 | 111.4 | D114 I115 V119 A120 K121 E160 A161 Y164 | D114-K117 WeakPolarHBondContact O-CB 3.43Å; D114-K117 PolarHBondContact O-N 3.43Å; I115-K117 PolarHBondContact O-N 3.47Å; K117-V119 PolarHBondContact O-N 2.95Å; K117-A120 PolarHBondContact O-N 3.15Å; K117-K121 PolarHBondContact O-N 3.36Å; K117-E160 WeakPolarHBondContact CE-OE1 3.43Å; K117-E160 IonicContact NZ-OE1 3.47Å; K117-E160 PolarHBondContact NZ-OE1 3.35Å; K117-A161 HydrophobicContact CG-CB 4.44Å; K117-Y164 HydrophobicContact CB-CD1 3.68Å; K117-Y164 HydrophobicContact CB-CE1 3.89Å; K117-Y164 HydrophobicContact CB-CG 4.26Å |
| 118 | E | 94.6 | Very high | 91.3 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 15% | 0.145 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -38.5 | 178.2 | -64.7 | -53.6 | 132.9 | 0 | 0 | 112.4 | L105 M110 D114 I115 A120 K121 I122 Y164 | L105-E118 HydrophobicContact CD1-CB 3.77Å; L105-E118 HydrophobicContact CD1-CG 4.35Å; L105-E118 HydrophobicContact CD2-CB 4.05Å; L105-E118 HydrophobicContact CD2-CG 3.8Å; M110-E118 HydrophobicContact CE-CG 3.71Å; D114-E118 PolarHBondContact O-N 2.92Å; I115-E118 PolarHBondContact O-N 2.87Å; E118-A120 PolarHBondContact O-N 3.23Å; E118-K121 PolarHBondContact O-N 2.98Å; E118-I122 WeakPolarHBondContact O-CG1 3.42Å; E118-I122 PolarHBondContact O-N 2.9Å; E118-Y164 PolarHBondContact OE1-OH 2.83Å |
| 119 | V | 95.1 | Very high | 91.1 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 35% | 0.352 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 174.4 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | I115 K117 I122 I123 L139 | I115-V119 HydrophobicContact CG2-CG2 3.88Å; I115-V119 WeakPolarHBondContact O-CB 3.47Å; I115-V119 VanDerWaalsContact O-CG2 3.24Å; I115-V119 WeakPolarHBondContact O-CG2 3.42Å; I115-V119 PolarHBondContact O-N 3.45Å; K117-V119 PolarHBondContact O-N 2.95Å; V119-I122 PolarHBondContact O-N 2.83Å; V119-I123 VanDerWaalsContact O-CG1 3.3Å; V119-I123 WeakPolarHBondContact O-CG1 3.26Å; V119-I123 PolarHBondContact O-N 2.81Å; V119-L139 HydrophobicContact CG1-CD2 3.76Å |
| 120 | A | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V116 K117 E118 I122 I123 Y124 L137 A161 A165 | V116-A120 PolarHBondContact O-N 3.01Å; V116-A120 VanDerWaalsContact O-N 3.15Å; K117-A120 PolarHBondContact O-N 3.15Å; E118-A120 PolarHBondContact O-N 3.23Å; A120-I122 PolarHBondContact O-N 3.43Å; A120-I123 PolarHBondContact O-N 3.02Å; A120-I123 VanDerWaalsContact O-N 3.16Å; A120-Y124 WeakPolarHBondContact O-CD2 3.4Å; A120-Y124 PolarHBondContact O-N 2.93Å; A120-L137 HydrophobicContact CB-CD2 3.82Å; A120-A161 HydrophobicContact CB-CB 3.81Å; A120-A165 HydrophobicContact CB-CB 4.12Å |
| 121 | K | 94.5 | Very high | 90.3 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -52.5 | -51.5 | 176.2 | 176.2 | 176.7 | 174.5 | 166.9 | 0 | 111.5 | K117 E118 I123 Y124 I125 Y164 A165 E172 | K117-K121 PolarHBondContact O-N 3.36Å; E118-K121 PolarHBondContact O-N 2.98Å; K121-I123 VanDerWaalsContact C-N 3.31Å; K121-I123 PolarHBondContact O-N 3.1Å; K121-Y124 PolarHBondContact O-N 3.4Å; K121-I125 HydrophobicContact CD-CD1 4.28Å; K121-I125 VanDerWaalsContact CE-CD1 3.42Å; K121-I125 HydrophobicContact CG-CD1 3.75Å; K121-I125 HydrophobicContact CG-CG1 4.41Å; K121-I125 WeakPolarHBondContact O-CG1 3.23Å; K121-I125 PolarHBondContact O-N 2.93Å; K121-Y164 HydrophobicContact CB-CD1 4.41Å; K121-Y164 HydrophobicContact CB-CE1 4.09Å; K121-Y164 HydrophobicContact CD-CE1 4.32Å; K121-A165 HydrophobicContact CB-CB 4.49Å; K121-E172 WeakPolarHBondContact CE-OE1 3.31Å; K121-E172 IonicContact NZ-OE1 3.32Å; K121-E172 PolarHBondContact NZ-OE1 3.26Å |
| 122 | I | 94.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | -179.3 | -66.3 | 166.4 | 0 | 0 | 0 | 111.3 | A98 E101 I102 L105 E118 V119 A120 Y124 I125 V126 | A98-I122 HydrophobicContact CB-CG2 4.23Å; E101-I122 HydrophobicContact CB-CB 4.49Å; E101-I122 HydrophobicContact CB-CD1 4.14Å; E101-I122 HydrophobicContact CB-CG1 3.71Å; E101-I122 HydrophobicContact CB-CG2 4.14Å; I102-I122 HydrophobicContact CG1-CD1 3.91Å; L105-I122 HydrophobicContact CD1-CD1 3.81Å; E118-I122 WeakPolarHBondContact O-CG1 3.42Å; E118-I122 PolarHBondContact O-N 2.9Å; V119-I122 PolarHBondContact O-N 2.83Å; A120-I122 PolarHBondContact O-N 3.43Å; I122-Y124 PolarHBondContact O-N 2.84Å; I122-I125 PolarHBondContact O-N 3.39Å; I122-V126 HydrophobicContact CG2-CG1 4.44Å; I122-V126 WeakPolarHBondContact O-CG1 3.38Å; I122-V126 WeakPolarHBondContact O-CG2 3.27Å; I122-V126 PolarHBondContact O-N 2.97Å |
| 123 | I | 94.2 | Very high | 89.8 | Confident | 66 Ų | 66 | 65.9 Ų | 65.9 | 34% | 0.338 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 179.5 | -66.9 | -66.7 | 0 | 0 | 0 | 111.5 | V119 A120 K121 V126 H127 F135 L137 | V119-I123 VanDerWaalsContact O-CG1 3.3Å; V119-I123 WeakPolarHBondContact O-CG1 3.26Å; V119-I123 PolarHBondContact O-N 2.81Å; A120-I123 PolarHBondContact O-N 3.02Å; A120-I123 VanDerWaalsContact O-N 3.16Å; K121-I123 VanDerWaalsContact C-N 3.31Å; K121-I123 PolarHBondContact O-N 3.1Å; I123-V126 WeakPolarHBondContact O-CG2 3.33Å; I123-H127 VanDerWaalsContact O-CB 3.3Å; I123-H127 WeakPolarHBondContact O-CB 3.5Å; I123-H127 PolarHBondContact O-N 3.2Å; I123-F135 HydrophobicContact CG2-CD2 4.47Å; I123-F135 HydrophobicContact CG2-CE2 3.69Å; I123-F135 HydrophobicContact CG2-CZ 4.11Å; I123-L137 HydrophobicContact CB-CD1 4.15Å; I123-L137 HydrophobicContact CG1-CD1 4.2Å; I123-L137 HydrophobicContact CG2-CD1 3.86Å |
| 124 | Y | 92.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 65 Ų | 65 | 8% | 0.082 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 176 | -84.4 | -93.8 | 0 | 0 | 0 | 112.2 | A120 K121 I122 V126 H127 F135 L137 E162 A165 K166 | A120-Y124 WeakPolarHBondContact O-CD2 3.4Å; A120-Y124 PolarHBondContact O-N 2.93Å; K121-Y124 PolarHBondContact O-N 3.4Å; I122-Y124 PolarHBondContact O-N 2.84Å; Y124-V126 PolarHBondContact O-N 3.26Å; Y124-H127 PolarHBondContact O-N 2.86Å; Y124-F135 HydrophobicContact CD1-CE1 4.32Å; Y124-F135 HydrophobicContact CD1-CZ 4.05Å; Y124-F135 HydrophobicContact CD2-CZ 4.05Å; Y124-F135 HydrophobicContact CE1-CE1 4.09Å; Y124-F135 AromaticContact CE1-CZ 3.83Å; Y124-F135 HydrophobicContact CE1-CZ 3.83Å; Y124-F135 HydrophobicContact CE2-CE2 4.45Å; Y124-F135 AromaticContact CE2-CZ 3.84Å; Y124-F135 HydrophobicContact CE2-CZ 3.84Å; Y124-F135 HydrophobicContact CG-CZ 4.18Å; Y124-F135 AromaticContact CZ-CZ 3.72Å; Y124-L137 HydrophobicContact CE2-CD2 4.21Å; Y124-E162 HydrophobicContact CE2-CG 4.2Å; Y124-A165 HydrophobicContact CD2-CB 3.48Å; Y124-A165 VanDerWaalsContact CD2-CB 3.48Å; Y124-A165 HydrophobicContact CE2-CB 4.06Å; Y124-A165 HydrophobicContact CG-CB 3.94Å; Y124-K166 HydrophobicContact CD1-CG 4.35Å; Y124-K166 HydrophobicContact CE1-CD 4.47Å; Y124-K166 HydrophobicContact CE1-CG 3.95Å; Y124-K166 VanDerWaalsContact OH-CE 3.23Å; Y124-K166 WeakPolarHBondContact OH-CE 3.4Å |
| 125 | I | 91.3 | Very high | 89.7 | Confident | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 176.7 | -71.6 | 171.1 | 0 | 0 | 0 | 111.9 | E101 K121 I122 H127 L169 | E101-I125 HydrophobicContact CG-CG2 4.32Å; K121-I125 HydrophobicContact CD-CD1 4.28Å; K121-I125 VanDerWaalsContact CE-CD1 3.42Å; K121-I125 HydrophobicContact CG-CD1 3.75Å; K121-I125 HydrophobicContact CG-CG1 4.41Å; K121-I125 WeakPolarHBondContact O-CG1 3.23Å; K121-I125 PolarHBondContact O-N 2.93Å; I122-I125 PolarHBondContact O-N 3.39Å; I125-H127 VanDerWaalsContact C-N 3.26Å; I125-H127 PolarHBondContact O-N 3.12Å; I125-L169 HydrophobicContact CG1-CD1 4.13Å |
| 126 | V | 91.1 | Very high | 89.7 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -81.6 | -8.3 | -177.9 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | A94 A97 A98 I122 I123 Y124 | A94-V126 HydrophobicContact CB-CB 4.09Å; A97-V126 HydrophobicContact CB-CG1 4.17Å; A98-V126 HydrophobicContact CB-CG1 3.98Å; I122-V126 HydrophobicContact CG2-CG1 4.44Å; I122-V126 WeakPolarHBondContact O-CG1 3.38Å; I122-V126 WeakPolarHBondContact O-CG2 3.27Å; I122-V126 PolarHBondContact O-N 2.97Å; I123-V126 WeakPolarHBondContact O-CG2 3.33Å; Y124-V126 PolarHBondContact O-N 3.26Å |
| 127 | H | 89.7 | Confident | 89.7 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 17% | 0.167 | 36% | 0.359 | C | S | . | . | trans | -84 | 119.7 | 176.7 | -177.4 | 65.5 | 0 | 0 | 0 | 110.1 | I123 Y124 I125 E129 D132 K133 F135 | I123-H127 VanDerWaalsContact O-CB 3.3Å; I123-H127 WeakPolarHBondContact O-CB 3.5Å; I123-H127 PolarHBondContact O-N 3.2Å; Y124-H127 PolarHBondContact O-N 2.86Å; I125-H127 VanDerWaalsContact C-N 3.26Å; I125-H127 PolarHBondContact O-N 3.12Å; H127-E129 PolarHBondContact O-N 3.26Å; H127-D132 VanDerWaalsContact CE1-CB 3.41Å; H127-D132 WeakPolarHBondContact CE1-CB 3.08Å; H127-K133 PolarHBondContact CE1-O 3.48Å; H127-K133 VanDerWaalsContact CE1-O 3.3Å; H127-F135 HydrophobicContact CB-CE1 4.2Å; H127-F135 AromaticContact CD2-CD1 3.54Å; H127-F135 AromaticContact CD2-CE1 3.48Å; H127-F135 VanDerWaalsContact CD2-CE1 3.48Å; H127-F135 WeakPolarHBondContact CD2-CE1 3.4Å; H127-F135 AromaticContact CE1-CD1 3.58Å; H127-F135 AromaticContact CG-CD1 3.74Å; H127-F135 AromaticContact CG-CE1 3.7Å; H127-F135 AromaticContact ND1-CD1 3.78Å; H127-F135 AromaticContact NE2-CD1 3.43Å; H127-F135 WeakPolarHBondContact NE2-CD1 3.21Å; H127-F135 AromaticContact NE2-CE1 3.87Å | ||
| 128 | D | 83.9 | Confident | 89.7 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 28% | 0.278 | 38% | 0.382 | S | S | . | . | trans | -89.9 | 97.8 | 176.1 | -176.3 | -28.9 | 0 | 0 | 0 | 109 | V130 K131 D132 | D128-V130 PolarHBondContact O-N 2.82Å; D128-V130 VanDerWaalsContact O-N 3.12Å; D128-V130 WeakPolarHBondContact OD1-CB 3.47Å; D128-V130 PolarHBondContact OD1-N 3.36Å; D128-K131 HydrophobicContact CB-CB 4.28Å; D128-K131 PolarHBondContact O-N 3.47Å; D128-K131 VanDerWaalsContact O-N 3.17Å; D128-K131 PolarHBondContact OD1-N 2.95Å; D128-K131 WeakPolarHBondContact OD2-CD 3.37Å; D128-K131 WeakPolarHBondContact OD2-CG 3.46Å; D128-K131 IonicContact OD2-NZ 3.66Å; D128-K131 PolarHBondContact OD2-NZ 3.03Å; D128-D132 WeakPolarHBondContact O-CB 3.29Å; D128-D132 PolarHBondContact O-N 3.25Å | ||
| 129 | E | 78.8 | Confident | 89.8 | Confident | 140 Ų | 140 | 74.1 Ų | 74.1 | 65% | 0.654 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.8 | -178.5 | -68.4 | -165.7 | 166.9 | 0 | 0 | 113.5 | H127 | H127-E129 PolarHBondContact O-N 3.26Š|
| 130 | V | 79.3 | Confident | 89.8 | Confident | 139 Ų | 139 | 74.6 Ų | 74.6 | 84% | 0.842 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -36.5 | -180 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | D128 | D128-V130 PolarHBondContact O-N 2.82Å; D128-V130 VanDerWaalsContact O-N 3.12Å; D128-V130 WeakPolarHBondContact OD1-CB 3.47Å; D128-V130 PolarHBondContact OD1-N 3.36Å |
| 131 | K | 80.5 | Confident | 89.8 | Confident | 167 Ų | 167 | 76 Ų | 76 | 73% | 0.726 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -34 | -174.7 | -63.8 | -166 | -165.1 | 93.8 | 0 | 114.1 | D128 | D128-K131 HydrophobicContact CB-CB 4.28Å; D128-K131 PolarHBondContact O-N 3.47Å; D128-K131 VanDerWaalsContact O-N 3.17Å; D128-K131 PolarHBondContact OD1-N 2.95Å; D128-K131 WeakPolarHBondContact OD2-CD 3.37Å; D128-K131 WeakPolarHBondContact OD2-CG 3.46Å; D128-K131 IonicContact OD2-NZ 3.66Å; D128-K131 PolarHBondContact OD2-NZ 3.03Å |
| 132 | D | 82.3 | Confident | 89.8 | Confident | 55 Ų | 55 | 75.8 Ų | 75.8 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -95.3 | 158.5 | -176 | -72.8 | -50 | 0 | 0 | 0 | 111.3 | K93 H127 D128 | K93-D132 IonicContact NZ-OD1 3.79Å; K93-D132 PolarHBondContact NZ-OD1 3.49Å; H127-D132 VanDerWaalsContact CE1-CB 3.41Å; H127-D132 WeakPolarHBondContact CE1-CB 3.08Å; D128-D132 WeakPolarHBondContact O-CB 3.29Å; D128-D132 PolarHBondContact O-N 3.25Å |
| 133 | K | 85.9 | Confident | 89.8 | Confident | 187 Ų | 187 | 75.5 Ų | 75.5 | 81% | 0.813 | 39% | 0.392 | S | S | * | . | trans | -78.4 | 159.1 | 175.5 | -63.6 | 179.9 | -178.7 | 179.9 | 0 | 109.4 | H127 F135 | H127-K133 PolarHBondContact CE1-O 3.48Å; H127-K133 VanDerWaalsContact CE1-O 3.3Å; K133-F135 PolarHBondContact O-N 2.82Å | ||
| 134 | A | 88.4 | Confident | 89.6 | Confident | 106 Ų | 106 | 79.4 Ų | 79.4 | 88% | 0.876 | 41% | 0.409 | S | S | * | . | trans | -45.5 | 132.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 135 | F | 90.8 | Very high | 89.5 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 32% | 0.316 | 43% | 0.432 | S | S | . | . | trans | -117.5 | 159.1 | -177.2 | 77.5 | -80.5 | 0 | 0 | 0 | 111 | I123 Y124 H127 K133 L137 | I123-F135 HydrophobicContact CG2-CD2 4.47Å; I123-F135 HydrophobicContact CG2-CE2 3.69Å; I123-F135 HydrophobicContact CG2-CZ 4.11Å; Y124-F135 HydrophobicContact CD1-CE1 4.32Å; Y124-F135 HydrophobicContact CD1-CZ 4.05Å; Y124-F135 HydrophobicContact CD2-CZ 4.05Å; Y124-F135 HydrophobicContact CE1-CE1 4.09Å; Y124-F135 AromaticContact CE1-CZ 3.83Å; Y124-F135 HydrophobicContact CE1-CZ 3.83Å; Y124-F135 HydrophobicContact CE2-CE2 4.45Å; Y124-F135 AromaticContact CE2-CZ 3.84Å; Y124-F135 HydrophobicContact CE2-CZ 3.84Å; Y124-F135 HydrophobicContact CG-CZ 4.18Å; Y124-F135 AromaticContact CZ-CZ 3.72Å; H127-F135 HydrophobicContact CB-CE1 4.2Å; H127-F135 AromaticContact CD2-CD1 3.54Å; H127-F135 AromaticContact CD2-CE1 3.48Å; H127-F135 VanDerWaalsContact CD2-CE1 3.48Å; H127-F135 WeakPolarHBondContact CD2-CE1 3.4Å; H127-F135 AromaticContact CE1-CD1 3.58Å; H127-F135 AromaticContact CG-CD1 3.74Å; H127-F135 AromaticContact CG-CE1 3.7Å; H127-F135 AromaticContact ND1-CD1 3.78Å; H127-F135 AromaticContact NE2-CD1 3.43Å; H127-F135 WeakPolarHBondContact NE2-CD1 3.21Å; H127-F135 AromaticContact NE2-CE1 3.87Å; K133-F135 PolarHBondContact O-N 2.82Å; F135-L137 HydrophobicContact CE2-CB 4.04Å; F135-L137 HydrophobicContact CE2-CD1 4.42Å | ||
| 136 | E | 92.9 | Very high | 89.6 | Confident | 145 Ų | 145 | 81.5 Ų | 81.5 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | trans | -107.3 | 131.3 | 168.5 | -178.5 | 172.8 | -178.4 | 0 | 0 | 108.4 | ||||
| 137 | L | 93.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 86.4 Ų | 86.4 | 5% | 0.052 | 45% | 0.447 | C | S | . | . | trans | -85.7 | 114.4 | 176.6 | -177.3 | 64.1 | 0 | 0 | 0 | 110.1 | A120 I123 Y124 F135 L139 R158 E162 | A120-L137 HydrophobicContact CB-CD2 3.82Å; I123-L137 HydrophobicContact CB-CD1 4.15Å; I123-L137 HydrophobicContact CG1-CD1 4.2Å; I123-L137 HydrophobicContact CG2-CD1 3.86Å; Y124-L137 HydrophobicContact CE2-CD2 4.21Å; F135-L137 HydrophobicContact CE2-CB 4.04Å; F135-L137 HydrophobicContact CE2-CD1 4.42Å; L137-L139 HydrophobicContact CD1-CD2 4.21Å; L137-L139 HydrophobicContact CD1-CG 4.34Å; L137-L139 HydrophobicContact CD2-CD1 3.91Å; L137-L139 HydrophobicContact CD2-CG 4.22Å; L137-L139 HydrophobicContact CG-CD1 4.23Å; L137-L139 HydrophobicContact CG-CD2 4.39Å; L137-L139 HydrophobicContact CG-CG 4Å; L137-R158 WeakPolarHBondContact O-CD 3.33Å; L137-E162 HydrophobicContact CD2-CG 3.74Å | ||
| 138 | E | 95.3 | Very high | 89.7 | Confident | 156 Ų | 156 | 85.9 Ų | 85.9 | 73% | 0.729 | 45% | 0.452 | S | S | * | . | trans | -102.7 | 127.4 | 170.8 | -65.9 | -170.4 | 144.5 | 0 | 0 | 110.4 | ||||
| 139 | L | 95.4 | Very high | 90.1 | Very high | 15 Ų | 15 | 91 Ų | 91 | 8% | 0.079 | 47% | 0.467 | C | S | . | . | trans | -126.4 | 140.3 | 179.3 | -65.9 | 170.7 | 0 | 0 | 0 | 110.2 | V116 V119 L137 V153 R158 | V116-L139 HydrophobicContact CG1-CD1 4.09Å; V119-L139 HydrophobicContact CG1-CD2 3.76Å; L137-L139 HydrophobicContact CD1-CD2 4.21Å; L137-L139 HydrophobicContact CD1-CG 4.34Å; L137-L139 HydrophobicContact CD2-CD1 3.91Å; L137-L139 HydrophobicContact CD2-CG 4.22Å; L137-L139 HydrophobicContact CG-CD1 4.23Å; L137-L139 HydrophobicContact CG-CD2 4.39Å; L137-L139 HydrophobicContact CG-CG 4Å; L139-V153 HydrophobicContact CB-CB 3.91Å; L139-V153 HydrophobicContact CB-CG2 3.75Å; L139-V153 PolarHBondContact O-N 3.23Å; L139-R158 HydrophobicContact CD1-CG 4.28Å | ||
| 140 | S | 96.1 | Very high | 91 | Very high | 68 Ų | 68 | 89.2 Ų | 89.2 | 48% | 0.476 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 149.4 | 176.2 | -64.8 | 0 | 0 | 0 | 0 | 109.8 | H150 E151 | S140-H150 WeakPolarHBondContact CB-NE2 3.33Å; S140-E151 WeakPolarHBondContact CA-O 3.44Å |
| 141 | W | 94.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 86 Ų | 86 | 11% | 0.106 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.3 | 177.3 | 59.2 | 11.9 | 0 | 0 | 0 | 111.6 | L145 T146 H150 E151 V153 P154 I157 | W141-L145 HydrophobicContact CD2-CD2 4.3Å; W141-L145 HydrophobicContact CE3-CD2 3.7Å; W141-L145 HydrophobicContact CH2-CD2 3.63Å; W141-L145 HydrophobicContact CH2-CG 4.46Å; W141-L145 HydrophobicContact CZ2-CD2 4.23Å; W141-L145 HydrophobicContact CZ3-CD2 3.35Å; W141-T146 HydrophobicContact CD2-CG2 4.18Å; W141-T146 HydrophobicContact CG-CG2 3.94Å; W141-T146 HydrophobicContact CZ2-CG2 4.41Å; W141-H150 WeakPolarHBondContact O-CA 3.4Å; W141-E151 VanDerWaalsContact CD1-O 3.23Å; W141-E151 PolarHBondContact N-O 3.36Å; W141-E151 PolarHBondContact O-N 3.32Å; W141-V153 HydrophobicContact CB-CG2 4.26Å; W141-V153 HydrophobicContact CD2-CG2 4.13Å; W141-V153 HydrophobicContact CE3-CG2 4.23Å; W141-V153 HydrophobicContact CG-CG2 4.12Å; W141-P154 HydrophobicContact CH2-CG 4.07Å; W141-P154 VanDerWaalsContact CZ2-CD 3.44Å; W141-P154 HydrophobicContact CZ2-CG 3.92Å; W141-I157 HydrophobicContact CH2-CD1 3.59Å; W141-I157 HydrophobicContact CZ3-CD1 3.69Å |
| 142 | V | 94.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 83.9 Ų | 83.9 | 21% | 0.206 | 43% | 0.429 | C | S | . | . | trans | -149.7 | 117.9 | 171.4 | 57.9 | 0 | 0 | 0 | 0 | 107.2 | H150 | V142-H150 HydrophobicContact CB-CB 4.16Å; V142-H150 HydrophobicContact CG2-CB 4.3Å | ||
| 143 | G | 93.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 81.5 Ų | 81.5 | 8% | 0.082 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -174.8 | -170.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L145 T146 N147 G148 | G143-L145 PolarHBondContact O-N 3.31Å; G143-T146 PolarHBondContact N-OG1 3.42Å; G143-T146 PolarHBondContact O-N 3.15Å; G143-T146 PolarHBondContact O-OG1 2.92Å; G143-T146 VanDerWaalsContact O-OG1 3.12Å; G143-N147 PolarHBondContact O-N 3.03Å; G143-G148 PolarHBondContact O-N 2.75Å |
| 144 | E | 91.7 | Very high | 93.5 | Very high | 149 Ų | 149 | 74.7 Ų | 74.7 | 70% | 0.696 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -58.9 | -39 | 173.4 | -168.9 | 172.5 | -158.2 | 0 | 0 | 111.4 | Y66 T146 N147 | Y66-E144 HydrophobicContact CE1-CB 3.96Å; E144-T146 PolarHBondContact O-N 3.46Å; E144-T146 VanDerWaalsContact O-N 3.09Å; E144-N147 PolarHBondContact O-N 3.39Å |
| 145 | L | 91 | Very high | 93.8 | Very high | 107 Ų | 107 | 75.8 Ų | 75.8 | 56% | 0.56 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -54.9 | -31 | 178.9 | -175.9 | 62.9 | 0 | 0 | 0 | 113.4 | W141 G143 | W141-L145 HydrophobicContact CD2-CD2 4.3Å; W141-L145 HydrophobicContact CE3-CD2 3.7Å; W141-L145 HydrophobicContact CH2-CD2 3.63Å; W141-L145 HydrophobicContact CH2-CG 4.46Å; W141-L145 HydrophobicContact CZ2-CD2 4.23Å; W141-L145 HydrophobicContact CZ3-CD2 3.35Å; G143-L145 PolarHBondContact O-N 3.31Å |
| 146 | T | 91.9 | Very high | 94 | Very high | 4 Ų | 4 | 77.6 Ų | 77.6 | 3% | 0.025 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -106 | 13.5 | -179.4 | 57 | 0 | 0 | 0 | 0 | 113 | W141 G143 E144 G148 R149 E151 | W141-T146 HydrophobicContact CD2-CG2 4.18Å; W141-T146 HydrophobicContact CG-CG2 3.94Å; W141-T146 HydrophobicContact CZ2-CG2 4.41Å; G143-T146 PolarHBondContact N-OG1 3.42Å; G143-T146 PolarHBondContact O-N 3.15Å; G143-T146 PolarHBondContact O-OG1 2.92Å; G143-T146 VanDerWaalsContact O-OG1 3.12Å; E144-T146 PolarHBondContact O-N 3.46Å; E144-T146 VanDerWaalsContact O-N 3.09Å; T146-G148 PolarHBondContact O-N 3.12Å; T146-R149 WeakPolarHBondContact CB-O 3.47Å; T146-R149 WeakPolarHBondContact O-CB 3.46Å; T146-R149 PolarHBondContact O-N 3.05Å; T146-R149 PolarHBondContact OG1-O 3.45Å; T146-E151 HydrophobicContact CG2-CB 4.4Å |
| 147 | N | 92.3 | Very high | 94 | Very high | 136 Ų | 136 | 71.4 Ų | 71.4 | 73% | 0.727 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 38.2 | -173.7 | -56.2 | -66.1 | 0 | 0 | 0 | 112.5 | G143 E144 R149 | G143-N147 PolarHBondContact O-N 3.03Å; E144-N147 PolarHBondContact O-N 3.39Å; N147-R149 VanDerWaalsContact C-N 3.26Å; N147-R149 PolarHBondContact O-N 3.06Å |
| 148 | G | 90.6 | Very high | 94.1 | Very high | 26 Ų | 26 | 73.3 Ų | 73.3 | 27% | 0.268 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 6.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y66 G143 T146 | Y66-G148 WeakPolarHBondContact O-CA 3.4Å; G143-G148 PolarHBondContact O-N 2.75Å; T146-G148 PolarHBondContact O-N 3.12Å |
| 149 | R | 93.8 | Very high | 94 | Very high | 158 Ų | 158 | 70.6 Ų | 70.6 | 60% | 0.596 | 36% | 0.355 | S | S | * | . | trans | -85.4 | 135.7 | 172.9 | -65.3 | -163.8 | -69.2 | -127.3 | -4.2 | 111.2 | T146 N147 E151 | T146-R149 WeakPolarHBondContact CB-O 3.47Å; T146-R149 WeakPolarHBondContact O-CB 3.46Å; T146-R149 PolarHBondContact O-N 3.05Å; T146-R149 PolarHBondContact OG1-O 3.45Å; N147-R149 VanDerWaalsContact C-N 3.26Å; N147-R149 PolarHBondContact O-N 3.06Å; R149-E151 HydrophobicContact CB-CG 4.18Å; R149-E151 IonicContact NE-OE1 2.7Å; R149-E151 PolarHBondContact NE-OE1 3.02Å; R149-E151 IonicContact NH2-OE1 2.74Å; R149-E151 PolarHBondContact O-N 2.83Å | ||
| 150 | H | 95.7 | Very high | 94 | Very high | 103 Ų | 103 | 73.5 Ų | 73.5 | 48% | 0.477 | 37% | 0.368 | S | S | . | . | trans | -80.3 | 117.8 | 170.9 | 172.7 | -79.9 | 0 | 0 | 0 | 109.4 | S140 W141 V142 | S140-H150 WeakPolarHBondContact CB-NE2 3.33Å; W141-H150 WeakPolarHBondContact O-CA 3.4Å; V142-H150 HydrophobicContact CB-CB 4.16Å; V142-H150 HydrophobicContact CG2-CB 4.3Å | ||
| 151 | E | 95.7 | Very high | 93.9 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 154 | -175.5 | -65.1 | 174.3 | -175.3 | 0 | 0 | 110 | S140 W141 T146 R149 | S140-E151 WeakPolarHBondContact CA-O 3.44Å; W141-E151 VanDerWaalsContact CD1-O 3.23Å; W141-E151 PolarHBondContact N-O 3.36Å; W141-E151 PolarHBondContact O-N 3.32Å; T146-E151 HydrophobicContact CG2-CB 4.4Å; R149-E151 HydrophobicContact CB-CG 4.18Å; R149-E151 IonicContact NE-OE1 2.7Å; R149-E151 PolarHBondContact NE-OE1 3.02Å; R149-E151 IonicContact NH2-OE1 2.74Å; R149-E151 PolarHBondContact O-N 2.83Å |
| 152 | I | 95.9 | Very high | 93.8 | Very high | 121 Ų | 121 | 70.8 Ų | 70.8 | 62% | 0.621 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 142.7 | 170.4 | -168 | 170.8 | 0 | 0 | 0 | 109 | ||
| 153 | V | 95.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 75.3 Ų | 75.3 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 131.7 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 109 | V116 L139 W141 I157 R158 | V116-V153 HydrophobicContact CG1-CG1 4.42Å; V116-V153 HydrophobicContact CG2-CG2 4.3Å; L139-V153 HydrophobicContact CB-CB 3.91Å; L139-V153 HydrophobicContact CB-CG2 3.75Å; L139-V153 PolarHBondContact O-N 3.23Å; W141-V153 HydrophobicContact CB-CG2 4.26Å; W141-V153 HydrophobicContact CD2-CG2 4.13Å; W141-V153 HydrophobicContact CE3-CG2 4.23Å; W141-V153 HydrophobicContact CG-CG2 4.12Å; V153-I157 HydrophobicContact CG1-CB 3.75Å; V153-I157 HydrophobicContact CG1-CG2 3.75Å; V153-R158 HydrophobicContact CG1-CB 4.46Å |
| 154 | P | 95.1 | Very high | 93.9 | Very high | 44 Ų | 44 | 78.5 Ų | 78.5 | 29% | 0.286 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 145 | 175.7 | -27.9 | 34.9 | 0 | 0 | 0 | 112.6 | W141 D156 I157 R158 | W141-P154 HydrophobicContact CH2-CG 4.07Å; W141-P154 VanDerWaalsContact CZ2-CD 3.44Å; W141-P154 HydrophobicContact CZ2-CG 3.92Å; P154-D156 VanDerWaalsContact C-N 3.25Å; P154-D156 WeakPolarHBondContact CB-OD1 3.37Å; P154-D156 PolarHBondContact O-N 2.86Å; P154-I157 HydrophobicContact CB-CD1 4.5Å; P154-I157 HydrophobicContact CB-CG1 4.43Å; P154-I157 HydrophobicContact CG-CD1 4.25Å; P154-I157 PolarHBondContact O-N 3.46Å; P154-R158 PolarHBondContact O-N 3.38Å |
| 155 | K | 93.9 | Very high | 93.9 | Very high | 128 Ų | 128 | 71.5 Ų | 71.5 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56.9 | -41.1 | -173.4 | 179.6 | 172.8 | 171.7 | 178.1 | 0 | 112.3 | R158 E159 | K155-R158 PolarHBondContact O-N 2.9Å; K155-E159 WeakPolarHBondContact CE-OE1 3.5Å; K155-E159 HydrophobicContact CG-CG 4.39Å; K155-E159 IonicContact NZ-OE1 3.78Å; K155-E159 WeakPolarHBondContact O-CB 3.49Å; K155-E159 WeakPolarHBondContact O-CG 3.35Å; K155-E159 PolarHBondContact O-N 3.1Å |
| 156 | D | 94.6 | Very high | 93.9 | Very high | 110 Ų | 110 | 71 Ų | 71 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.8 | -45.1 | 175.8 | 33.9 | -57.9 | 0 | 0 | 0 | 112.6 | P154 E160 | P154-D156 VanDerWaalsContact C-N 3.25Å; P154-D156 WeakPolarHBondContact CB-OD1 3.37Å; P154-D156 PolarHBondContact O-N 2.86Å; D156-E160 WeakPolarHBondContact O-CB 3.41Å; D156-E160 PolarHBondContact O-N 3.12Å; D156-E160 VanDerWaalsContact O-N 3.08Å |
| 157 | I | 94 | Very high | 93.9 | Very high | 15 Ų | 15 | 75.2 Ų | 75.2 | 8% | 0.077 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.8 | -37.2 | 177.4 | -58.6 | -179 | 0 | 0 | 0 | 111 | V116 W141 V153 P154 E160 A161 | V116-I157 HydrophobicContact CG1-CG2 3.97Å; W141-I157 HydrophobicContact CH2-CD1 3.59Å; W141-I157 HydrophobicContact CZ3-CD1 3.69Å; V153-I157 HydrophobicContact CG1-CB 3.75Å; V153-I157 HydrophobicContact CG1-CG2 3.75Å; P154-I157 HydrophobicContact CB-CD1 4.5Å; P154-I157 HydrophobicContact CB-CG1 4.43Å; P154-I157 HydrophobicContact CG-CD1 4.25Å; P154-I157 PolarHBondContact O-N 3.46Å; I157-E160 PolarHBondContact O-N 2.85Å; I157-A161 WeakPolarHBondContact O-CB 3.42Å; I157-A161 PolarHBondContact O-N 3.42Å |
| 158 | R | 94.1 | Very high | 93.8 | Very high | 50 Ų | 50 | 69.2 Ų | 69.2 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.4 | 178.2 | -177.2 | 64 | 175.9 | 5.1 | 111.3 | L137 L139 V153 P154 K155 E160 A161 E162 | L137-R158 WeakPolarHBondContact O-CD 3.33Å; L139-R158 HydrophobicContact CD1-CG 4.28Å; V153-R158 HydrophobicContact CG1-CB 4.46Å; P154-R158 PolarHBondContact O-N 3.38Å; K155-R158 PolarHBondContact O-N 2.9Å; R158-E160 VanDerWaalsContact C-N 3.32Å; R158-E160 PolarHBondContact O-N 3.18Å; R158-A161 PolarHBondContact O-N 3.45Å; R158-E162 WeakPolarHBondContact O-CG 3.29Å; R158-E162 PolarHBondContact O-N 3.46Å |
| 159 | E | 93.9 | Very high | 93.6 | Very high | 99 Ų | 99 | 70 Ų | 70 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 178.1 | -74.7 | 176.4 | -178.6 | 0 | 0 | 111.8 | K155 E162 K163 | K155-E159 WeakPolarHBondContact CE-OE1 3.5Å; K155-E159 HydrophobicContact CG-CG 4.39Å; K155-E159 IonicContact NZ-OE1 3.78Å; K155-E159 WeakPolarHBondContact O-CB 3.49Å; K155-E159 WeakPolarHBondContact O-CG 3.35Å; K155-E159 PolarHBondContact O-N 3.1Å; E159-E162 PolarHBondContact O-N 2.94Å; E159-K163 WeakPolarHBondContact O-CB 3.43Å; E159-K163 PolarHBondContact O-N 3.28Å |
| 160 | E | 94.7 | Very high | 93.1 | Very high | 76 Ų | 76 | 68.7 Ų | 68.7 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 172.1 | -171.9 | -170.4 | 159.4 | 0 | 0 | 111.6 | R113 K117 D156 I157 R158 K163 Y164 | R113-E160 IonicContact NH2-OE2 2.72Å; K117-E160 WeakPolarHBondContact CE-OE1 3.43Å; K117-E160 IonicContact NZ-OE1 3.47Å; K117-E160 PolarHBondContact NZ-OE1 3.35Å; D156-E160 WeakPolarHBondContact O-CB 3.41Å; D156-E160 PolarHBondContact O-N 3.12Å; D156-E160 VanDerWaalsContact O-N 3.08Å; I157-E160 PolarHBondContact O-N 2.85Å; R158-E160 VanDerWaalsContact C-N 3.32Å; R158-E160 PolarHBondContact O-N 3.18Å; E160-K163 PolarHBondContact O-N 3.34Å; E160-Y164 PolarHBondContact O-N 3.06Å |
| 161 | A | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V116 K117 A120 I157 R158 Y164 A165 | V116-A161 HydrophobicContact CG1-CB 3.89Å; K117-A161 HydrophobicContact CG-CB 4.44Å; A120-A161 HydrophobicContact CB-CB 3.81Å; I157-A161 WeakPolarHBondContact O-CB 3.42Å; I157-A161 PolarHBondContact O-N 3.42Å; R158-A161 PolarHBondContact O-N 3.45Å; A161-Y164 PolarHBondContact O-N 2.95Å; A161-A165 WeakPolarHBondContact O-CB 3.17Å; A161-A165 PolarHBondContact O-N 3.27Å |
| 162 | E | 93.8 | Very high | 91.1 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 173.4 | -75.6 | -177.3 | -154.4 | 0 | 0 | 112.1 | Y124 L137 R158 E159 A165 K166 | Y124-E162 HydrophobicContact CE2-CG 4.2Å; L137-E162 HydrophobicContact CD2-CG 3.74Å; R158-E162 WeakPolarHBondContact O-CG 3.29Å; R158-E162 PolarHBondContact O-N 3.46Å; E159-E162 PolarHBondContact O-N 2.94Å; E162-A165 PolarHBondContact O-N 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.2Å; E162-K166 PolarHBondContact O-N 3.42Å |
| 163 | K | 94.4 | Very high | 89.9 | Confident | 128 Ų | 128 | 69.1 Ų | 69.1 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.1 | -47.7 | 176.1 | -177.3 | 179.7 | 170.3 | -175.8 | 0 | 110.6 | E159 E160 A165 K166 E167 | E159-K163 WeakPolarHBondContact O-CB 3.43Å; E159-K163 PolarHBondContact O-N 3.28Å; E160-K163 PolarHBondContact O-N 3.34Å; K163-A165 PolarHBondContact O-N 3.38Å; K163-K166 PolarHBondContact O-N 3.25Å; K163-E167 WeakPolarHBondContact CE-OE1 3.48Å; K163-E167 IonicContact NZ-OE1 2.69Å; K163-E167 WeakPolarHBondContact O-CG 3.49Å; K163-E167 PolarHBondContact O-N 2.67Å |
| 164 | Y | 94.5 | Very high | 88.6 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.5 | -48.3 | 175.1 | 172.9 | -101.5 | 0 | 0 | 0 | 111.9 | K117 E118 K121 E160 A161 K166 E167 S168 | K117-Y164 HydrophobicContact CB-CD1 3.68Å; K117-Y164 HydrophobicContact CB-CE1 3.89Å; K117-Y164 HydrophobicContact CB-CG 4.26Å; E118-Y164 PolarHBondContact OE1-OH 2.83Å; K121-Y164 HydrophobicContact CB-CD1 4.41Å; K121-Y164 HydrophobicContact CB-CE1 4.09Å; K121-Y164 HydrophobicContact CD-CE1 4.32Å; E160-Y164 PolarHBondContact O-N 3.06Å; A161-Y164 PolarHBondContact O-N 2.95Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.02Å; Y164-E167 PolarHBondContact O-N 3.47Å; Y164-S168 PolarHBondContact O-N 3.16Å; Y164-S168 PolarHBondContact O-OG 2.65Å |
| 165 | A | 92.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 2% | 0.017 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A120 K121 Y124 A161 E162 K163 L169 | A120-A165 HydrophobicContact CB-CB 4.12Å; K121-A165 HydrophobicContact CB-CB 4.49Å; Y124-A165 HydrophobicContact CD2-CB 3.48Å; Y124-A165 VanDerWaalsContact CD2-CB 3.48Å; Y124-A165 HydrophobicContact CE2-CB 4.06Å; Y124-A165 HydrophobicContact CG-CB 3.94Å; A161-A165 WeakPolarHBondContact O-CB 3.17Å; A161-A165 PolarHBondContact O-N 3.27Å; E162-A165 PolarHBondContact O-N 3.46Å; K163-A165 PolarHBondContact O-N 3.38Å; A165-L169 PolarHBondContact O-N 3.21Å; A165-L169 VanDerWaalsContact O-N 3.12Å |
| 166 | K | 90.9 | Very high | 85.4 | Confident | 98 Ų | 98 | 75 Ų | 75 | 43% | 0.426 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.5 | -32.7 | 178.1 | -71.8 | 172.2 | -177.8 | 164.5 | 0 | 113.3 | Y124 E162 K163 Y164 K170 | Y124-K166 HydrophobicContact CD1-CG 4.35Å; Y124-K166 HydrophobicContact CE1-CD 4.47Å; Y124-K166 HydrophobicContact CE1-CG 3.95Å; Y124-K166 VanDerWaalsContact OH-CE 3.23Å; Y124-K166 WeakPolarHBondContact OH-CE 3.4Å; E162-K166 WeakPolarHBondContact O-CG 3.2Å; E162-K166 PolarHBondContact O-N 3.42Å; K163-K166 PolarHBondContact O-N 3.25Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.02Å; K166-K170 WeakPolarHBondContact O-CG 3.47Å |
| 167 | E | 92.8 | Very high | 83.7 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.2 | -46 | 174.9 | -74.2 | 172.9 | 173.7 | 0 | 0 | 110.3 | K163 Y164 L169 K170 E171 | K163-E167 WeakPolarHBondContact CE-OE1 3.48Å; K163-E167 IonicContact NZ-OE1 2.69Å; K163-E167 WeakPolarHBondContact O-CG 3.49Å; K163-E167 PolarHBondContact O-N 2.67Å; Y164-E167 PolarHBondContact O-N 3.47Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.32Å; E167-K170 PolarHBondContact O-N 2.89Å; E167-E171 PolarHBondContact O-N 3.13Å |
| 168 | S | 89.4 | Confident | 81.9 | Confident | 10 Ų | 10 | 82.2 Ų | 82.2 | 7% | 0.07 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.4 | -34.2 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 113.9 | Y164 E172 | Y164-S168 PolarHBondContact O-N 3.16Å; Y164-S168 PolarHBondContact O-OG 2.65Å; S168-E172 PolarHBondContact O-N 2.88Å |
| 169 | L | 85.8 | Confident | 79.8 | Confident | 42 Ų | 42 | 86.6 Ų | 86.6 | 22% | 0.22 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.3 | -38.2 | 178.7 | -162.2 | 69.5 | 0 | 0 | 0 | 111.6 | I125 A165 E167 E172 D173 | I125-L169 HydrophobicContact CG1-CD1 4.13Å; A165-L169 PolarHBondContact O-N 3.21Å; A165-L169 VanDerWaalsContact O-N 3.12Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 3.32Å; L169-E172 PolarHBondContact O-N 3.2Å; L169-D173 PolarHBondContact O-N 3.39Å; L169-D173 VanDerWaalsContact O-N 3.1Å |
| 170 | K | 83.8 | Confident | 77.4 | Confident | 130 Ų | 130 | 92.7 Ų | 92.7 | 57% | 0.565 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.2 | -39.4 | 177.3 | -68.1 | 173.6 | -178.6 | -178.8 | 0 | 112.7 | K166 E167 E172 D173 E174 | K166-K170 WeakPolarHBondContact O-CG 3.47Å; E167-K170 PolarHBondContact O-N 2.89Å; K170-E172 VanDerWaalsContact C-N 3.3Å; K170-E172 PolarHBondContact O-N 3.02Å; K170-D173 PolarHBondContact O-N 3.41Å; K170-E174 WeakPolarHBondContact O-CB 3.45Å; K170-E174 WeakPolarHBondContact O-CG 3.26Å; K170-E174 PolarHBondContact O-N 2.53Å |
| 171 | E | 78.7 | Confident | 76.5 | Confident | 134 Ų | 134 | 93.5 Ų | 93.5 | 63% | 0.626 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.7 | -36.4 | 178 | -69.7 | 178.7 | 176.7 | 0 | 0 | 111.6 | E167 S175 | E167-E171 PolarHBondContact O-N 3.13Å; E171-S175 WeakPolarHBondContact O-CB 3.27Å; E171-S175 PolarHBondContact O-N 3.05Å; E171-S175 VanDerWaalsContact O-N 3.15Å; E171-S175 PolarHBondContact O-OG 3Å |
| 172 | E | 70.8 | Confident | 75.6 | Confident | 72 Ų | 72 | 98.4 Ų | 98.4 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.9 | -46.2 | 174.5 | -76.2 | 175.7 | -164.9 | 0 | 0 | 110.9 | K121 S168 L169 K170 E174 S175 D176 | K121-E172 WeakPolarHBondContact CE-OE1 3.31Å; K121-E172 IonicContact NZ-OE1 3.32Å; K121-E172 PolarHBondContact NZ-OE1 3.26Å; S168-E172 PolarHBondContact O-N 2.88Å; L169-E172 PolarHBondContact O-N 3.2Å; K170-E172 VanDerWaalsContact C-N 3.3Å; K170-E172 PolarHBondContact O-N 3.02Å; E172-E174 PolarHBondContact O-N 3.29Å; E172-S175 PolarHBondContact O-N 3.04Å; E172-S175 PolarHBondContact O-OG 3.39Å; E172-D176 PolarHBondContact O-N 2.93Å |
| 173 | D | 71 | Confident | 74.6 | Confident | 101 Ų | 101 | 101.7 Ų | 101.7 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 177.4 | -70.5 | -26.3 | 0 | 0 | 0 | 112.8 | L169 K170 S175 D176 D177 | L169-D173 PolarHBondContact O-N 3.39Å; L169-D173 VanDerWaalsContact O-N 3.1Å; K170-D173 PolarHBondContact O-N 3.41Å; D173-S175 VanDerWaalsContact C-N 3.33Å; D173-S175 PolarHBondContact O-N 3.29Å; D173-D176 PolarHBondContact O-N 2.9Å; D173-D177 PolarHBondContact O-N 2.97Å |
| 174 | E | 68.4 | Low | 73.4 | Confident | 133 Ų | 133 | 100.1 Ų | 100.1 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.7 | -32.5 | 177.9 | -73.6 | 177.3 | -173.6 | 0 | 0 | 112.2 | K170 E172 D178 | K170-E174 WeakPolarHBondContact O-CB 3.45Å; K170-E174 WeakPolarHBondContact O-CG 3.26Å; K170-E174 PolarHBondContact O-N 2.53Å; E172-E174 PolarHBondContact O-N 3.29Å; E174-D178 PolarHBondContact O-N 3.43Å |
| 175 | S | 62.3 | Low | 72.1 | Confident | 55 Ų | 55 | 101.7 Ų | 101.7 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.2 | -25.1 | 179.2 | 73.9 | 0 | 0 | 0 | 0 | 114.2 | E171 E172 D173 N179 | E171-S175 WeakPolarHBondContact O-CB 3.27Å; E171-S175 PolarHBondContact O-N 3.05Å; E171-S175 VanDerWaalsContact O-N 3.15Å; E171-S175 PolarHBondContact O-OG 3Å; E172-S175 PolarHBondContact O-N 3.04Å; E172-S175 PolarHBondContact O-OG 3.39Å; D173-S175 VanDerWaalsContact C-N 3.33Å; D173-S175 PolarHBondContact O-N 3.29Å; S175-N179 PolarHBondContact O-ND2 3.12Å |
| 176 | D | 58.9 | Low | 70.8 | Confident | 112 Ų | 112 | 108.3 Ų | 108.3 | 60% | 0.599 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -80.7 | -32.1 | 175.7 | -81.9 | -12.5 | 0 | 0 | 0 | 111.7 | E172 D173 | E172-D176 PolarHBondContact O-N 2.93Å; D173-D176 PolarHBondContact O-N 2.9Å |
| 177 | D | 59.8 | Low | 69.3 | Low | 130 Ų | 130 | 109.1 Ų | 109.1 | 70% | 0.695 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.7 | -33.6 | 175.7 | -96 | -7.2 | 0 | 0 | 0 | 112.9 | D173 N179 | D173-D177 PolarHBondContact O-N 2.97Å; D177-N179 VanDerWaalsContact C-N 3.27Å; D177-N179 PolarHBondContact O-N 2.9Å |
| 178 | D | 55.4 | Low | 67.5 | Low | 148 Ų | 148 | 110.4 Ų | 110.4 | 79% | 0.791 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -11.3 | 178 | -91 | -13.8 | 0 | 0 | 0 | 113.9 | E174 | E174-D178 PolarHBondContact O-N 3.43Š|
| 179 | N | 48.9 | Very low | 65.7 | Low | 141 Ų | 141 | 118.8 Ų | 118.8 | 75% | 0.754 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 7.7 | 179.5 | -79.6 | -51.2 | 0 | 0 | 0 | 114.3 | S175 D177 | S175-N179 PolarHBondContact O-ND2 3.12Å; D177-N179 VanDerWaalsContact C-N 3.27Å; D177-N179 PolarHBondContact O-N 2.9Å |
| 180 | M | 44.6 | Very low | 63.9 | Low | 227 Ų | 227 | 125.7 Ų | 125.7 | 100% | 1.118 | 64% | 0.639 | S | S | * | * | trans | -104.2 | 0 | 171.8 | -74.4 | -155.6 | -174 | 0 | 0 | 113.1 |
Retrieved 180 of 180 residues in 123.4 ms
(Link to these results)