| 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 | 74.4 | Confident | 93.2 | Very high | 184 Ų | 184 | 100 Ų | 100 | 91% | 0.906 | 47% | 0.473 | S | S | * | . | 0 | -71 | 0 | -168.5 | 163 | 156.1 | 0 | 0 | 112.5 | D3 D4 L5 | M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 3.17Å; M1-D4 WeakPolarHBondContact CA-OD2 3.49Å; M1-D4 PolarHBondContact N-OD2 2.86Å; M1-D4 PolarHBondContact O-N 3.31Å; M1-D4 VanDerWaalsContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 3.24Å | |||
| 2 | A | 84 | Confident | 93.6 | Very high | 61 Ų | 61 | 95.4 Ų | 95.4 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58 | -40.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L5 K6 | A2-L5 PolarHBondContact O-N 2.96Å; A2-K6 WeakPolarHBondContact O-CG 3.47Å; A2-K6 PolarHBondContact O-N 3.01Å |
| 3 | D | 91.5 | Very high | 94 | Very high | 100 Ų | 100 | 88.4 Ų | 88.4 | 54% | 0.535 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.1 | -33.3 | 177 | -65 | -37.4 | 0 | 0 | 0 | 113.3 | M1 L5 K6 R7 | M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 3.17Å; D3-L5 VanDerWaalsContact C-N 3.31Å; D3-K6 PolarHBondContact O-N 3.16Å; D3-R7 WeakPolarHBondContact O-CB 3.31Å; D3-R7 VanDerWaalsContact O-CG 3.25Å; D3-R7 WeakPolarHBondContact O-CG 3.37Å; D3-R7 PolarHBondContact O-N 2.85Å |
| 4 | D | 93.8 | Very high | 94.3 | Very high | 95 Ų | 95 | 89.9 Ų | 89.9 | 51% | 0.508 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 175.3 | -54.5 | -54.5 | 0 | 0 | 0 | 110.4 | M1 R7 F8 | M1-D4 WeakPolarHBondContact CA-OD2 3.49Å; M1-D4 PolarHBondContact N-OD2 2.86Å; M1-D4 PolarHBondContact O-N 3.31Å; M1-D4 VanDerWaalsContact O-N 3.13Å; D4-R7 PolarHBondContact O-N 2.75Å; D4-F8 WeakPolarHBondContact O-CB 3.27Å; D4-F8 PolarHBondContact O-N 3.25Å |
| 5 | L | 93.7 | Very high | 94.6 | Very high | 24 Ų | 24 | 88.2 Ų | 88.2 | 13% | 0.126 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 175 | 178.8 | 50.9 | 0 | 0 | 0 | 112.2 | M1 A2 D3 R7 F8 L9 I33 L113 L117 | M1-L5 PolarHBondContact O-N 3.24Å; A2-L5 PolarHBondContact O-N 2.96Å; D3-L5 VanDerWaalsContact C-N 3.31Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.22Å; L5-F8 HydrophobicContact CD1-CD1 4.38Å; L5-F8 PolarHBondContact O-N 3.27Å; L5-L9 HydrophobicContact CD1-CD1 4.16Å; L5-L9 HydrophobicContact CD1-CG 4.06Å; L5-L9 HydrophobicContact CG-CD1 4.42Å; L5-L9 WeakPolarHBondContact O-CG 3.15Å; L5-L9 PolarHBondContact O-N 3.46Å; L5-I33 HydrophobicContact CD2-CD1 3.19Å; L5-I33 HydrophobicContact CG-CD1 3.69Å; L5-L113 HydrophobicContact CD1-CD1 3.53Å; L5-L113 HydrophobicContact CD1-CD2 3.6Å; L5-L113 HydrophobicContact CD1-CG 4.03Å; L5-L113 HydrophobicContact CD2-CD1 4.16Å; L5-L117 HydrophobicContact CD2-CD1 4.07Å; L5-L117 HydrophobicContact CD2-CD2 3.78Å; L5-L117 HydrophobicContact CD2-CG 4.25Å |
| 6 | K | 96.9 | Very high | 94.8 | Very high | 85 Ų | 85 | 82.9 Ų | 82.9 | 37% | 0.37 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58 | -46.8 | 170.8 | -75.2 | 174.3 | -176.5 | 170.7 | 0 | 111.1 | A2 D3 F8 L9 Y10 I33 V35 | A2-K6 WeakPolarHBondContact O-CG 3.47Å; A2-K6 PolarHBondContact O-N 3.01Å; D3-K6 PolarHBondContact O-N 3.16Å; K6-F8 VanDerWaalsContact C-N 3.32Å; K6-F8 PolarHBondContact O-N 3.07Å; K6-L9 PolarHBondContact O-N 2.85Å; K6-Y10 VanDerWaalsContact O-CB 3.27Å; K6-Y10 WeakPolarHBondContact O-CB 3.38Å; K6-Y10 PolarHBondContact O-N 3.35Å; K6-I33 HydrophobicContact CG-CG2 3.88Å; K6-V35 HydrophobicContact CB-CG1 4.1Å; K6-V35 HydrophobicContact CG-CG1 4.39Å; K6-V35 VanDerWaalsContact O-CG1 3.24Å; K6-V35 WeakPolarHBondContact O-CG1 3.38Å |
| 7 | R | 97.6 | Very high | 95 | Very high | 170 Ų | 170 | 88.7 Ų | 88.7 | 64% | 0.642 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 177.5 | -74.3 | 169.5 | 178.4 | -177.2 | 0 | 111.8 | D3 D4 L5 K11 | D3-R7 WeakPolarHBondContact O-CB 3.31Å; D3-R7 VanDerWaalsContact O-CG 3.25Å; D3-R7 WeakPolarHBondContact O-CG 3.37Å; D3-R7 PolarHBondContact O-N 2.85Å; D4-R7 PolarHBondContact O-N 2.75Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.22Å; R7-K11 WeakPolarHBondContact O-CG 3.46Å; R7-K11 PolarHBondContact O-N 2.64Å; R7-K11 VanDerWaalsContact O-N 3.08Å |
| 8 | F | 97.9 | Very high | 95.2 | Very high | 90 Ų | 90 | 85.2 Ų | 85.2 | 40% | 0.395 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.4 | -51.7 | 176.3 | 173.3 | -102.2 | 0 | 0 | 0 | 111.9 | D4 L5 K6 Y10 K11 K12 L110 L113 | D4-F8 WeakPolarHBondContact O-CB 3.27Å; D4-F8 PolarHBondContact O-N 3.25Å; L5-F8 HydrophobicContact CD1-CD1 4.38Å; L5-F8 PolarHBondContact O-N 3.27Å; K6-F8 VanDerWaalsContact C-N 3.32Å; K6-F8 PolarHBondContact O-N 3.07Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 3.44Å; F8-K11 WeakPolarHBondContact O-CB 3.25Å; F8-K11 PolarHBondContact O-N 2.79Å; F8-K12 HydrophobicContact CE1-CG 4.36Å; F8-K12 VanDerWaalsContact CZ-CE 3.44Å; F8-K12 HydrophobicContact CZ-CG 4.34Å; F8-K12 PolarHBondContact O-N 3Å; F8-L110 HydrophobicContact CE1-CD2 3.7Å; F8-L110 HydrophobicContact CZ-CD2 4.17Å; F8-L113 HydrophobicContact CD1-CD2 4.16Å; F8-L113 HydrophobicContact CE1-CD2 3.92Å |
| 9 | L | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64 | -37.5 | 178.6 | -68.4 | 176.5 | 0 | 0 | 0 | 112.1 | L5 K6 K11 K12 L13 I22 I33 V35 L110 L113 | L5-L9 HydrophobicContact CD1-CD1 4.16Å; L5-L9 HydrophobicContact CD1-CG 4.06Å; L5-L9 HydrophobicContact CG-CD1 4.42Å; L5-L9 WeakPolarHBondContact O-CG 3.15Å; L5-L9 PolarHBondContact O-N 3.46Å; K6-L9 PolarHBondContact O-N 2.85Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 2.8Å; L9-K12 WeakPolarHBondContact O-CB 3.3Å; L9-K12 PolarHBondContact O-N 3.49Å; L9-L13 PolarHBondContact O-N 2.9Å; L9-I22 HydrophobicContact CD2-CD1 4.49Å; L9-I33 HydrophobicContact CD1-CG2 3.82Å; L9-V35 HydrophobicContact CB-CG1 4.13Å; L9-V35 HydrophobicContact CB-CG2 3.75Å; L9-L110 HydrophobicContact CD2-CD1 4.01Å; L9-L110 HydrophobicContact CD2-CD2 4.35Å; L9-L113 HydrophobicContact CD2-CD2 4.04Å |
| 10 | Y | 98.5 | Very high | 95.6 | Very high | 123 Ų | 123 | 78.1 Ų | 78.1 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 175 | -171.5 | -90.1 | 0 | 0 | 0 | 111.3 | K6 F8 K12 L13 V35 | K6-Y10 VanDerWaalsContact O-CB 3.27Å; K6-Y10 WeakPolarHBondContact O-CB 3.38Å; K6-Y10 PolarHBondContact O-N 3.35Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 3.44Å; Y10-K12 PolarHBondContact O-N 2.74Å; Y10-L13 HydrophobicContact CD2-CD1 3.89Å; Y10-L13 HydrophobicContact CE2-CD1 4.1Å; Y10-L13 HydrophobicContact CG-CD1 4.43Å; Y10-L13 WeakPolarHBondContact O-CB 3.32Å; Y10-L13 WeakPolarHBondContact O-CG 3.12Å; Y10-L13 PolarHBondContact O-N 2.91Å; Y10-L13 VanDerWaalsContact O-N 3.16Å; Y10-V35 HydrophobicContact CD2-CB 4.26Å |
| 11 | K | 98.4 | Very high | 95.7 | Very high | 167 Ų | 167 | 74.4 Ų | 74.4 | 73% | 0.726 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.9 | -17.1 | 173.9 | -73.3 | 177.4 | 179.3 | -176.5 | 0 | 113.8 | R7 F8 L9 P14 | R7-K11 WeakPolarHBondContact O-CG 3.46Å; R7-K11 PolarHBondContact O-N 2.64Å; R7-K11 VanDerWaalsContact O-N 3.08Å; F8-K11 WeakPolarHBondContact O-CB 3.25Å; F8-K11 PolarHBondContact O-N 2.79Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 2.8Å; K11-P14 WeakPolarHBondContact O-CD 3.46Å |
| 12 | K | 98.3 | Very high | 96.9 | Very high | 45 Ų | 45 | 65.6 Ų | 65.6 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -82.3 | -18 | 173.6 | -69.3 | -71.1 | -177.5 | 172.2 | 0 | 113 | F8 L9 Y10 S15 I22 L106 E109 L110 | F8-K12 HydrophobicContact CE1-CG 4.36Å; F8-K12 VanDerWaalsContact CZ-CE 3.44Å; F8-K12 HydrophobicContact CZ-CG 4.34Å; F8-K12 PolarHBondContact O-N 3Å; L9-K12 WeakPolarHBondContact O-CB 3.3Å; L9-K12 PolarHBondContact O-N 3.49Å; Y10-K12 PolarHBondContact O-N 2.74Å; K12-S15 VanDerWaalsContact O-CB 3.29Å; K12-S15 WeakPolarHBondContact O-CB 3.29Å; K12-S15 PolarHBondContact O-N 2.93Å; K12-S15 PolarHBondContact O-OG 3.25Å; K12-I22 HydrophobicContact CB-CD1 4.44Å; K12-L106 HydrophobicContact CD-CD1 4.22Å; K12-E109 IonicContact NZ-OE1 3.16Å; K12-E109 PolarHBondContact NZ-OE1 3.28Å; K12-L110 HydrophobicContact CG-CD2 4.47Å |
| 13 | L | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -53.4 | -45.1 | 179.3 | -60.9 | 178 | 0 | 0 | 0 | 113 | L9 Y10 S15 L19 I22 V35 N37 | L9-L13 PolarHBondContact O-N 2.9Å; Y10-L13 HydrophobicContact CD2-CD1 3.89Å; Y10-L13 HydrophobicContact CE2-CD1 4.1Å; Y10-L13 HydrophobicContact CG-CD1 4.43Å; Y10-L13 WeakPolarHBondContact O-CB 3.32Å; Y10-L13 WeakPolarHBondContact O-CG 3.12Å; Y10-L13 PolarHBondContact O-N 2.91Å; Y10-L13 VanDerWaalsContact O-N 3.16Å; L13-S15 PolarHBondContact O-N 3.42Å; L13-L19 HydrophobicContact CD2-CD2 4.19Å; L13-L19 HydrophobicContact CD2-CG 3.98Å; L13-I22 HydrophobicContact CD2-CD1 4.1Å; L13-I22 HydrophobicContact CD2-CG1 3.81Å; L13-V35 HydrophobicContact CD2-CG2 4.34Å; L13-N37 HydrophobicContact CD1-CB 4.45Å |
| 14 | P | 98.1 | Very high | 97.9 | Very high | 109 Ų | 109 | 58 Ų | 58 | 71% | 0.708 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -71.6 | -7.9 | 179.6 | -18.5 | 34 | 0 | 0 | 0 | 115.1 | K11 V16 | K11-P14 WeakPolarHBondContact O-CD 3.46Å; P14-V16 PolarHBondContact O-N 3.17Å |
| 15 | S | 98.1 | Very high | 98 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -69 | -18.6 | 179.5 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | K12 L13 | K12-S15 VanDerWaalsContact O-CB 3.29Å; K12-S15 WeakPolarHBondContact O-CB 3.29Å; K12-S15 PolarHBondContact O-N 2.93Å; K12-S15 PolarHBondContact O-OG 3.25Å; L13-S15 PolarHBondContact O-N 3.42Å |
| 16 | V | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -125.4 | 118.1 | 171.5 | -179 | 0 | 0 | 0 | 0 | 107.8 | P14 G18 L19 L102 I103 L106 | P14-V16 PolarHBondContact O-N 3.17Å; V16-G18 PolarHBondContact O-N 3.22Å; V16-L19 HydrophobicContact CB-CB 3.95Å; V16-L19 HydrophobicContact CB-CD2 4.33Å; V16-L19 HydrophobicContact CG1-CB 4.4Å; V16-L19 WeakPolarHBondContact O-CB 3.38Å; V16-L19 PolarHBondContact O-N 3.31Å; V16-L102 HydrophobicContact CG1-CB 4.04Å; V16-L102 HydrophobicContact CG2-CB 3.93Å; V16-I103 HydrophobicContact CG1-CG1 3.9Å; V16-L106 HydrophobicContact CG2-CB 4.39Å; V16-L106 HydrophobicContact CG2-CD2 4.09Å |
| 17 | E | 98.6 | Very high | 97.9 | Very high | 181 Ų | 181 | 57.2 Ų | 57.2 | 85% | 0.846 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 127.1 | 176.4 | -172.3 | 179.2 | 176.4 | 0 | 0 | 110.4 | A98 | E17-A98 VanDerWaalsContact O-CB 3.32Å; E17-A98 WeakPolarHBondContact O-CB 3.43Å |
| 18 | G | 98.6 | Very high | 97.8 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 4.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V16 H20 A94 S95 | V16-G18 PolarHBondContact O-N 3.22Å; G18-H20 PolarHBondContact O-CD2 2.98Å; G18-H20 PolarHBondContact O-CE1 3.38Å; G18-H20 VanDerWaalsContact O-CE1 3.27Å; G18-H20 PolarHBondContact O-N 3.09Å; G18-H20 PolarHBondContact O-ND1 2.78Å; G18-H20 PolarHBondContact O-NE2 3.12Å; G18-A94 CarbonylContact O-C 3.58Å; G18-A94 WeakPolarHBondContact O-CA 3.24Å; G18-A94 VanDerWaalsContact O-CB 3.29Å; G18-A94 WeakPolarHBondContact O-CB 3.25Å; G18-S95 PolarHBondContact O-N 2.76Å |
| 19 | L | 98.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 124.5 | 171.4 | 178.7 | 63.8 | 0 | 0 | 0 | 110.8 | L13 V16 I22 N37 F92 A94 L106 | L13-L19 HydrophobicContact CD2-CD2 4.19Å; L13-L19 HydrophobicContact CD2-CG 3.98Å; V16-L19 HydrophobicContact CB-CB 3.95Å; V16-L19 HydrophobicContact CB-CD2 4.33Å; V16-L19 HydrophobicContact CG1-CB 4.4Å; V16-L19 WeakPolarHBondContact O-CB 3.38Å; V16-L19 PolarHBondContact O-N 3.31Å; L19-I22 HydrophobicContact CD2-CD1 4.3Å; L19-I22 HydrophobicContact CD2-CG1 4.29Å; L19-N37 PolarHBondContact O-ND2 2.91Å; L19-F92 HydrophobicContact CD1-CB 4Å; L19-F92 HydrophobicContact CD1-CD1 3.98Å; L19-F92 HydrophobicContact CD2-CD1 4.14Å; L19-A94 HydrophobicContact CD1-CB 4.14Å; L19-L106 HydrophobicContact CD2-CD2 3.65Å |
| 20 | H | 98.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 12% | 0.116 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -35.2 | -172 | -57 | -44 | 0 | 0 | 0 | 113.3 | G18 A36 N37 N39 A40 I93 S95 | G18-H20 PolarHBondContact O-CD2 2.98Å; G18-H20 PolarHBondContact O-CE1 3.38Å; G18-H20 VanDerWaalsContact O-CE1 3.27Å; G18-H20 PolarHBondContact O-N 3.09Å; G18-H20 PolarHBondContact O-ND1 2.78Å; G18-H20 PolarHBondContact O-NE2 3.12Å; H20-A36 CarbonylContact O-C 3.42Å; H20-A36 VanDerWaalsContact O-CA 3.26Å; H20-A36 WeakPolarHBondContact O-CA 3.46Å; H20-N37 WeakPolarHBondContact CA-OD1 3.33Å; H20-N37 PolarHBondContact O-N 3.1Å; H20-N37 PolarHBondContact O-OD1 2.82Å; H20-N39 WeakPolarHBondContact ND1-CB 3.36Å; H20-A40 HydrophobicContact CB-CB 3.82Å; H20-I93 WeakPolarHBondContact CA-O 3.44Å; H20-I93 WeakPolarHBondContact CB-O 3.47Å; H20-I93 PolarHBondContact N-O 2.79Å; H20-S95 PolarHBondContact CD2-N 3.25Å; H20-S95 PolarHBondContact NE2-N 3.17Å |
| 21 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 152.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V23 V35 A36 A40 L45 F92 I93 | A21-V23 HydrophobicContact CB-CG2 4.48Å; A21-V35 CarbonylContact C-O 3.4Å; A21-V35 WeakPolarHBondContact CA-O 3.44Å; A21-V35 VanDerWaalsContact CB-O 3.26Å; A21-V35 WeakPolarHBondContact CB-O 3.41Å; A21-A36 HydrophobicContact CB-CB 3.76Å; A21-A40 HydrophobicContact CB-CB 4.07Å; A21-L45 HydrophobicContact CB-CD2 3.76Å; A21-F92 WeakPolarHBondContact O-CA 3.39Å; A21-I93 HydrophobicContact CB-CB 4.19Å; A21-I93 HydrophobicContact CB-CD1 4.28Å; A21-I93 PolarHBondContact N-O 2.97Å; A21-I93 PolarHBondContact O-N 3.03Å |
| 22 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.8 | 165.3 | -56.2 | 171.6 | 0 | 0 | 0 | 106.8 | L9 K12 L13 L19 V35 S91 F92 L110 F114 | L9-I22 HydrophobicContact CD2-CD1 4.49Å; K12-I22 HydrophobicContact CB-CD1 4.44Å; L13-I22 HydrophobicContact CD2-CD1 4.1Å; L13-I22 HydrophobicContact CD2-CG1 3.81Å; L19-I22 HydrophobicContact CD2-CD1 4.3Å; L19-I22 HydrophobicContact CD2-CG1 4.29Å; I22-V35 HydrophobicContact CB-CG2 3.83Å; I22-V35 HydrophobicContact CG1-CG2 4.48Å; I22-V35 PolarHBondContact N-O 3.25Å; I22-V35 PolarHBondContact O-N 2.8Å; I22-S91 CarbonylContact C-O 3.53Å; I22-S91 WeakPolarHBondContact CA-O 3.44Å; I22-F92 HydrophobicContact CD1-CD1 4.2Å; I22-F92 HydrophobicContact CD1-CE1 3.77Å; I22-F92 HydrophobicContact CG1-CD1 3.71Å; I22-F92 HydrophobicContact CG1-CE1 3.74Å; I22-F92 HydrophobicContact CG2-CE1 4.24Å; I22-F92 HydrophobicContact CG2-CZ 4.36Å; I22-L110 HydrophobicContact CD1-CD1 4.38Å; I22-F114 HydrophobicContact CG2-CZ 4.37Å |
| 23 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.3 | -178.8 | -169.3 | 0 | 0 | 0 | 0 | 109 | A21 P31 I33 K34 L45 L50 V90 S91 I93 | A21-V23 HydrophobicContact CB-CG2 4.48Å; V23-P31 HydrophobicContact CG1-CB 4.11Å; V23-P31 HydrophobicContact CG1-CG 4.38Å; V23-I33 CarbonylContact C-O 2.81Å; V23-I33 WeakPolarHBondContact CA-O 3.32Å; V23-K34 HydrophobicContact CG1-CB 4.32Å; V23-K34 HydrophobicContact CG2-CG 4.18Å; V23-L45 HydrophobicContact CG2-CD2 3.64Å; V23-L50 HydrophobicContact CG1-CD1 3.86Å; V23-V90 CarbonylContact O-C 3.58Å; V23-S91 PolarHBondContact N-O 3.33Å; V23-S91 PolarHBondContact O-N 3.35Å; V23-I93 HydrophobicContact CG2-CD1 4.49Å |
| 24 | V | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.5 | 165.7 | -174.5 | 0 | 0 | 0 | 0 | 106.6 | V32 I33 L88 V89 V90 F114 | V24-V32 PolarHBondContact O-N 2.95Å; V24-I33 HydrophobicContact CB-CB 4.27Å; V24-I33 PolarHBondContact N-O 3.02Å; V24-I33 PolarHBondContact O-N 3.07Å; V24-L88 HydrophobicContact CG1-CB 4.26Å; V24-L88 HydrophobicContact CG1-CD1 3.94Å; V24-L88 HydrophobicContact CG1-CD2 4.3Å; V24-L88 HydrophobicContact CG1-CG 4.4Å; V24-V89 WeakPolarHBondContact CA-O 3.29Å; V24-V90 HydrophobicContact CG2-CG2 4.43Å; V24-F114 HydrophobicContact CG2-CD1 3.85Å; V24-F114 HydrophobicContact CG2-CE1 3.58Å |
| 25 | S | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 164.9 | 176.6 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | V30 L88 V89 | S25-V30 CarbonylContact C-O 3.58Å; S25-V30 WeakPolarHBondContact CA-O 3.42Å; S25-V30 VanDerWaalsContact CB-O 3.29Å; S25-V30 WeakPolarHBondContact CB-O 3.45Å; S25-L88 CarbonylContact O-C 3.5Å; S25-L88 VanDerWaalsContact O-CA 3.31Å; S25-L88 WeakPolarHBondContact O-CA 3.33Å; S25-L88 WeakPolarHBondContact O-CD2 3.49Å; S25-V89 PolarHBondContact N-O 3.45Å; S25-V89 PolarHBondContact O-N 3.13Å |
| 26 | D | 94.9 | Very high | 97.1 | Very high | 45 Ų | 45 | 41.9 Ų | 41.9 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -173.7 | 160 | 67.8 | 14.6 | 0 | 0 | 0 | 111.3 | D28 G29 V30 | D26-D28 VanDerWaalsContact C-N 3.26Å; D26-D28 PolarHBondContact O-N 2.88Å; D26-D28 WeakPolarHBondContact OD1-CA 3.43Å; D26-D28 PolarHBondContact OD1-N 3.21Å; D26-G29 PolarHBondContact O-N 3.07Å; D26-G29 PolarHBondContact OD1-N 2.86Å; D26-V30 PolarHBondContact N-O 2.9Å; D26-V30 PolarHBondContact OD1-N 2.86Å; D26-V30 WeakPolarHBondContact OD2-CB 3.26Å |
| 27 | R | 93.2 | Very high | 97.1 | Very high | 143 Ų | 143 | 43.5 Ų | 43.5 | 54% | 0.54 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.1 | 177.3 | 68.8 | -179.8 | 66.3 | -177 | 2.4 | 114.1 | G29 A54 L86 P87 | R27-G29 VanDerWaalsContact C-N 3.26Å; R27-A54 HydrophobicContact CB-CB 4.21Å; R27-A54 VanDerWaalsContact O-CB 3.3Å; R27-A54 WeakPolarHBondContact O-CB 3.48Å; R27-L86 HydrophobicContact CB-CD2 4.03Å; R27-P87 PolarHBondContact N-O 3.43Å |
| 28 | D | 94.6 | Very high | 97 | Very high | 109 Ų | 109 | 42.9 Ų | 42.9 | 58% | 0.583 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 3.9 | -178.4 | -62 | -41.2 | 0 | 0 | 0 | 111.5 | D26 V30 S51 | D26-D28 VanDerWaalsContact C-N 3.26Å; D26-D28 PolarHBondContact O-N 2.88Å; D26-D28 WeakPolarHBondContact OD1-CA 3.43Å; D26-D28 PolarHBondContact OD1-N 3.21Å; D28-V30 VanDerWaalsContact C-N 3.3Å; D28-S51 WeakPolarHBondContact O-CB 3.28Å |
| 29 | G | 96.2 | Very high | 97 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | 80.7 | 8.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D26 R27 P31 P47 | D26-G29 PolarHBondContact O-N 3.07Å; D26-G29 PolarHBondContact OD1-N 2.86Å; R27-G29 VanDerWaalsContact C-N 3.26Å; G29-P31 VanDerWaalsContact O-CD 3.26Å; G29-P31 WeakPolarHBondContact O-CD 3.38Å; G29-P47 WeakPolarHBondContact O-CA 3.43Å | ||
| 30 | V | 96.4 | Very high | 97 | Very high | 78 Ų | 78 | 47.9 Ų | 47.9 | 47% | 0.473 | 26% | 0.255 | S | S | . | . | trans | -72.4 | 118.9 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | S25 D26 D28 V32 | S25-V30 CarbonylContact C-O 3.58Å; S25-V30 WeakPolarHBondContact CA-O 3.42Å; S25-V30 VanDerWaalsContact CB-O 3.29Å; S25-V30 WeakPolarHBondContact CB-O 3.45Å; D26-V30 PolarHBondContact N-O 2.9Å; D26-V30 PolarHBondContact OD1-N 2.86Å; D26-V30 WeakPolarHBondContact OD2-CB 3.26Å; D28-V30 VanDerWaalsContact C-N 3.3Å; V30-V32 PolarHBondContact O-N 2.95Å | ||
| 31 | P | 95.5 | Very high | 96.9 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 33% | 0.325 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 121.8 | -177.4 | -19.9 | 33.4 | 0 | 0 | 0 | 111.7 | V23 G29 K34 L50 | V23-P31 HydrophobicContact CG1-CB 4.11Å; V23-P31 HydrophobicContact CG1-CG 4.38Å; G29-P31 VanDerWaalsContact O-CD 3.26Å; G29-P31 WeakPolarHBondContact O-CD 3.38Å; P31-K34 HydrophobicContact CB-CB 4.08Å; P31-L50 HydrophobicContact CG-CD1 4.5Å |
| 32 | V | 93.9 | Very high | 96.8 | Very high | 73 Ų | 73 | 54 Ų | 54 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -43.4 | 165.4 | -176.1 | 0 | 0 | 0 | 0 | 109 | V24 V30 L88 | V24-V32 PolarHBondContact O-N 2.95Å; V30-V32 PolarHBondContact O-N 2.95Å; V32-L88 HydrophobicContact CG2-CD2 3.97Å |
| 33 | I | 95.5 | Very high | 96.6 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 133.6 | 175.6 | -53 | -175.4 | 0 | 0 | 0 | 108.7 | L5 K6 L9 V23 V24 L117 | L5-I33 HydrophobicContact CD2-CD1 3.19Å; L5-I33 HydrophobicContact CG-CD1 3.69Å; K6-I33 HydrophobicContact CG-CG2 3.88Å; L9-I33 HydrophobicContact CD1-CG2 3.82Å; V23-I33 CarbonylContact C-O 2.81Å; V23-I33 WeakPolarHBondContact CA-O 3.32Å; V24-I33 HydrophobicContact CB-CB 4.27Å; V24-I33 PolarHBondContact N-O 3.02Å; V24-I33 PolarHBondContact O-N 3.07Å; I33-L117 HydrophobicContact CD1-CD1 3.68Å; I33-L117 HydrophobicContact CD1-CD2 3.94Å; I33-L117 HydrophobicContact CD1-CG 4.48Å |
| 34 | K | 97.3 | Very high | 96.6 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 128.1 | 176.4 | 172.2 | 176.5 | 167.7 | -178.6 | 0 | 109.4 | V23 P31 | V23-K34 HydrophobicContact CG1-CB 4.32Å; V23-K34 HydrophobicContact CG2-CG 4.18Å; P31-K34 HydrophobicContact CB-CB 4.08Å |
| 35 | V | 98.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.5 | 167.6 | -63 | 0 | 0 | 0 | 0 | 108.3 | K6 L9 Y10 L13 A21 I22 | K6-V35 HydrophobicContact CB-CG1 4.1Å; K6-V35 HydrophobicContact CG-CG1 4.39Å; K6-V35 VanDerWaalsContact O-CG1 3.24Å; K6-V35 WeakPolarHBondContact O-CG1 3.38Å; L9-V35 HydrophobicContact CB-CG1 4.13Å; L9-V35 HydrophobicContact CB-CG2 3.75Å; Y10-V35 HydrophobicContact CD2-CB 4.26Å; L13-V35 HydrophobicContact CD2-CG2 4.34Å; A21-V35 CarbonylContact C-O 3.4Å; A21-V35 WeakPolarHBondContact CA-O 3.44Å; A21-V35 VanDerWaalsContact CB-O 3.26Å; A21-V35 WeakPolarHBondContact CB-O 3.41Å; I22-V35 HydrophobicContact CB-CG2 3.83Å; I22-V35 HydrophobicContact CG1-CG2 4.48Å; I22-V35 PolarHBondContact N-O 3.25Å; I22-V35 PolarHBondContact O-N 2.8Å |
| 36 | A | 98.7 | Very high | 96.6 | Very high | 33 Ų | 33 | 65.2 Ų | 65.2 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 144.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | H20 A21 A40 L45 | H20-A36 CarbonylContact O-C 3.42Å; H20-A36 VanDerWaalsContact O-CA 3.26Å; H20-A36 WeakPolarHBondContact O-CA 3.46Å; A21-A36 HydrophobicContact CB-CB 3.76Å; A36-A40 HydrophobicContact CB-CB 3.85Å; A36-L45 HydrophobicContact CB-CD1 4.12Å |
| 37 | N | 98.2 | Very high | 96.8 | Very high | 38 Ų | 38 | 66 Ų | 66 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | trans | -93.5 | 175.3 | 164.1 | 62.7 | 36.8 | 0 | 0 | 0 | 110.7 | L13 L19 H20 N39 A40 | L13-N37 HydrophobicContact CD1-CB 4.45Å; L19-N37 PolarHBondContact O-ND2 2.91Å; H20-N37 WeakPolarHBondContact CA-OD1 3.33Å; H20-N37 PolarHBondContact O-N 3.1Å; H20-N37 PolarHBondContact O-OD1 2.82Å; N37-N39 PolarHBondContact O-N 3.28Å; N37-N39 VanDerWaalsContact O-N 3.07Å; N37-N39 WeakPolarHBondContact OD1-CB 3.43Å; N37-N39 PolarHBondContact OD1-N 3.46Å; N37-A40 WeakPolarHBondContact O-CB 3.38Å; N37-A40 PolarHBondContact O-N 3.18Å | ||
| 38 | D | 97.5 | Very high | 96.9 | Very high | 169 Ų | 169 | 61.7 Ų | 61.7 | 90% | 0.904 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -14.6 | -173.7 | -57.7 | -31.2 | 0 | 0 | 0 | 114 | ||
| 39 | N | 98 | Very high | 97.1 | Very high | 119 Ų | 119 | 58.6 Ų | 58.6 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -6.3 | 178.3 | -61.9 | -49.9 | 0 | 0 | 0 | 112.9 | H20 N37 P41 | H20-N39 WeakPolarHBondContact ND1-CB 3.36Å; N37-N39 PolarHBondContact O-N 3.28Å; N37-N39 VanDerWaalsContact O-N 3.07Å; N37-N39 WeakPolarHBondContact OD1-CB 3.43Å; N37-N39 PolarHBondContact OD1-N 3.46Å; N39-P41 WeakPolarHBondContact O-CD 3.29Å |
| 40 | A | 98.3 | Very high | 97.2 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -70.6 | 125.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | H20 A21 A36 N37 E42 L45 | H20-A40 HydrophobicContact CB-CB 3.82Å; A21-A40 HydrophobicContact CB-CB 4.07Å; A36-A40 HydrophobicContact CB-CB 3.85Å; N37-A40 WeakPolarHBondContact O-CB 3.38Å; N37-A40 PolarHBondContact O-N 3.18Å; A40-E42 PolarHBondContact O-N 3Å; A40-L45 HydrophobicContact CB-CD1 3.93Å |
| 41 | P | 97.4 | Very high | 97.2 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | trans | -64.1 | 119.2 | 178.2 | 22.2 | -30 | 0 | 0 | 0 | 110.9 | N39 H43 A44 Y78 I93 | N39-P41 WeakPolarHBondContact O-CD 3.29Å; P41-H43 VanDerWaalsContact C-N 3.3Å; P41-H43 PolarHBondContact O-N 3.41Å; P41-A44 HydrophobicContact CB-CB 4.39Å; P41-A44 HydrophobicContact CG-CB 3.94Å; P41-A44 PolarHBondContact O-N 2.61Å; P41-A44 VanDerWaalsContact O-N 3.12Å; P41-Y78 HydrophobicContact CB-CD1 4.35Å; P41-Y78 HydrophobicContact CB-CG 4.5Å; P41-Y78 HydrophobicContact CG-CD1 4.03Å; P41-Y78 HydrophobicContact CG-CD2 3.81Å; P41-Y78 HydrophobicContact CG-CE1 4.49Å; P41-Y78 HydrophobicContact CG-CE2 4.27Å; P41-Y78 HydrophobicContact CG-CG 3.7Å; P41-I93 HydrophobicContact CG-CG2 3.71Å | ||
| 42 | E | 96.4 | Very high | 97.1 | Very high | 128 Ų | 128 | 57.9 Ų | 57.9 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -58.4 | -40.2 | -171.1 | -163.5 | -157.1 | 129.9 | 0 | 0 | 112.8 | A40 A44 L45 R46 | A40-E42 PolarHBondContact O-N 3Å; E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 2.84Å; E42-L45 WeakPolarHBondContact O-CB 3.38Å; E42-L45 PolarHBondContact O-N 3.04Å; E42-L45 VanDerWaalsContact O-N 3.1Å; E42-R46 IonicContact OE1-CZ 3.58Å; E42-R46 IonicContact OE1-NE 3.51Å; E42-R46 IonicContact OE1-NH2 2.78Å; E42-R46 PolarHBondContact OE1-NH2 3.18Å |
| 43 | H | 96.2 | Very high | 97.3 | Very high | 86 Ų | 86 | 54.5 Ų | 54.5 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -65 | -33.3 | -178.8 | 66 | -76.7 | 0 | 0 | 0 | 112.7 | P41 L45 R46 F49 Y78 | P41-H43 VanDerWaalsContact C-N 3.3Å; P41-H43 PolarHBondContact O-N 3.41Å; H43-L45 PolarHBondContact O-N 3.28Å; H43-R46 PolarHBondContact O-N 3.22Å; H43-F49 VanDerWaalsContact O-CB 3.28Å; H43-F49 WeakPolarHBondContact O-CB 3.33Å; H43-Y78 AromaticContact CE1-CE1 3.68Å; H43-Y78 AromaticContact CE1-CZ 3.85Å; H43-Y78 AromaticContact NE2-CE1 3.47Å; H43-Y78 WeakPolarHBondContact NE2-CE1 3.5Å; H43-Y78 AromaticContact NE2-CZ 3.25Å; H43-Y78 PolarHBondContact NE2-OH 3.16Å |
| 44 | A | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -70.1 | -15.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P41 E42 F49 L50 Y78 I93 | P41-A44 HydrophobicContact CB-CB 4.39Å; P41-A44 HydrophobicContact CG-CB 3.94Å; P41-A44 PolarHBondContact O-N 2.61Å; P41-A44 VanDerWaalsContact O-N 3.12Å; E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 2.84Å; A44-F49 HydrophobicContact CB-CD1 4.21Å; A44-F49 HydrophobicContact CB-CE1 4.03Å; A44-F49 HydrophobicContact CB-CZ 4.28Å; A44-F49 WeakPolarHBondContact O-CD1 3.45Å; A44-L50 WeakPolarHBondContact O-CD2 3.5Å; A44-Y78 HydrophobicContact CB-CD2 4.49Å; A44-Y78 HydrophobicContact CB-CE2 3.91Å; A44-I93 HydrophobicContact CB-CD1 3.93Å; A44-I93 HydrophobicContact CB-CG1 4.43Å; A44-I93 HydrophobicContact CB-CG2 4.34Å |
| 45 | L | 98.1 | Very high | 97 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -94.5 | -2 | 178.3 | -60.2 | 169.2 | 0 | 0 | 0 | 113.3 | A21 V23 A36 A40 E42 H43 I93 | A21-L45 HydrophobicContact CB-CD2 3.76Å; V23-L45 HydrophobicContact CG2-CD2 3.64Å; A36-L45 HydrophobicContact CB-CD1 4.12Å; A40-L45 HydrophobicContact CB-CD1 3.93Å; E42-L45 WeakPolarHBondContact O-CB 3.38Å; E42-L45 PolarHBondContact O-N 3.04Å; E42-L45 VanDerWaalsContact O-N 3.1Å; H43-L45 PolarHBondContact O-N 3.28Å; L45-I93 HydrophobicContact CD2-CD1 3.37Å; L45-I93 HydrophobicContact CG-CD1 4.08Å |
| 46 | R | 97.4 | Very high | 96.8 | Very high | 137 Ų | 137 | 58.1 Ų | 58.1 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -81.8 | 143.7 | -177.6 | -65.9 | -177.6 | 179.6 | -174.8 | -0.4 | 110.5 | E42 H43 G48 F49 L50 | E42-R46 IonicContact OE1-CZ 3.58Å; E42-R46 IonicContact OE1-NE 3.51Å; E42-R46 IonicContact OE1-NH2 2.78Å; E42-R46 PolarHBondContact OE1-NH2 3.18Å; H43-R46 PolarHBondContact O-N 3.22Å; R46-G48 VanDerWaalsContact C-N 3.28Å; R46-G48 PolarHBondContact O-N 3.49Å; R46-F49 WeakPolarHBondContact O-CB 3.39Å; R46-F49 PolarHBondContact O-N 2.78Å; R46-L50 PolarHBondContact O-N 3.08Å; R46-L50 VanDerWaalsContact O-N 3.08Å |
| 47 | P | 97.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -51.5 | -43.3 | 180 | -30.2 | 35.8 | 0 | 0 | 0 | 114.2 | G29 F49 L50 S51 | G29-P47 WeakPolarHBondContact O-CA 3.43Å; P47-F49 PolarHBondContact O-N 3.42Å; P47-L50 PolarHBondContact O-N 3.43Å; P47-L50 VanDerWaalsContact O-N 3.16Å; P47-S51 WeakPolarHBondContact O-CB 3.46Å; P47-S51 PolarHBondContact O-N 3.29Å; P47-S51 PolarHBondContact O-OG 3.24Å |
| 48 | G | 96.4 | Very high | 96.5 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 55% | 0.546 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -29.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R46 S51 T52 | R46-G48 VanDerWaalsContact C-N 3.28Å; R46-G48 PolarHBondContact O-N 3.49Å; G48-S51 PolarHBondContact O-OG 3.48Å; G48-T52 PolarHBondContact O-OG1 3.28Å |
| 49 | F | 97.7 | Very high | 96.4 | Very high | 43 Ų | 43 | 56 Ų | 56 | 19% | 0.189 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76.6 | -48.3 | 172.8 | -173.2 | -81.7 | 0 | 0 | 0 | 110.6 | H43 A44 R46 P47 S51 T52 Y75 Y78 V80 | H43-F49 VanDerWaalsContact O-CB 3.28Å; H43-F49 WeakPolarHBondContact O-CB 3.33Å; A44-F49 HydrophobicContact CB-CD1 4.21Å; A44-F49 HydrophobicContact CB-CE1 4.03Å; A44-F49 HydrophobicContact CB-CZ 4.28Å; A44-F49 WeakPolarHBondContact O-CD1 3.45Å; R46-F49 WeakPolarHBondContact O-CB 3.39Å; R46-F49 PolarHBondContact O-N 2.78Å; P47-F49 PolarHBondContact O-N 3.42Å; F49-S51 PolarHBondContact O-N 3.21Å; F49-T52 WeakPolarHBondContact O-CB 3.44Å; F49-T52 PolarHBondContact O-N 3.16Å; F49-T52 PolarHBondContact O-OG1 3.1Å; F49-Y75 AromaticContact CZ-CE2 3.87Å; F49-Y75 HydrophobicContact CZ-CE2 3.87Å; F49-Y75 AromaticContact CZ-CZ 3.8Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.33Å; F49-Y78 HydrophobicContact CZ-CE2 4.35Å; F49-V80 HydrophobicContact CE1-CG1 4.21Å; F49-V80 HydrophobicContact CE1-CG2 3.97Å; F49-V80 HydrophobicContact CZ-CG2 4.08Å |
| 50 | L | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -40.2 | -177 | -64.9 | 170.5 | 0 | 0 | 0 | 112.6 | V23 P31 A44 R46 P47 T52 F53 | V23-L50 HydrophobicContact CG1-CD1 3.86Å; P31-L50 HydrophobicContact CG-CD1 4.5Å; A44-L50 WeakPolarHBondContact O-CD2 3.5Å; R46-L50 PolarHBondContact O-N 3.08Å; R46-L50 VanDerWaalsContact O-N 3.08Å; P47-L50 PolarHBondContact O-N 3.43Å; P47-L50 VanDerWaalsContact O-N 3.16Å; L50-T52 PolarHBondContact O-N 2.94Å; L50-F53 WeakPolarHBondContact O-CB 3.36Å; L50-F53 PolarHBondContact O-N 3.19Å |
| 51 | S | 96.4 | Very high | 96.1 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.1 | -178.9 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | D28 P47 G48 F49 F53 A54 | D28-S51 WeakPolarHBondContact O-CB 3.28Å; P47-S51 WeakPolarHBondContact O-CB 3.46Å; P47-S51 PolarHBondContact O-N 3.29Å; P47-S51 PolarHBondContact O-OG 3.24Å; G48-S51 PolarHBondContact O-OG 3.48Å; F49-S51 PolarHBondContact O-N 3.21Å; S51-F53 PolarHBondContact O-N 2.99Å; S51-F53 VanDerWaalsContact O-N 3.14Å; S51-A54 PolarHBondContact O-N 3.27Å |
| 52 | T | 95.2 | Very high | 96 | Very high | 82 Ų | 82 | 57.2 Ų | 57.2 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57 | -31.9 | 176.6 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | G48 F49 L50 A54 L55 A56 | G48-T52 PolarHBondContact O-OG1 3.28Å; F49-T52 WeakPolarHBondContact O-CB 3.44Å; F49-T52 PolarHBondContact O-N 3.16Å; F49-T52 PolarHBondContact O-OG1 3.1Å; L50-T52 PolarHBondContact O-N 2.94Å; T52-A54 PolarHBondContact O-N 3.33Å; T52-L55 PolarHBondContact O-N 3.26Å; T52-A56 WeakPolarHBondContact O-CB 3.44Å; T52-A56 PolarHBondContact O-N 3.33Å |
| 53 | F | 96.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.7 | -46 | 175.2 | 178 | -96.4 | 0 | 0 | 0 | 112.9 | L50 S51 L55 A56 T57 I71 Q82 N84 V89 | L50-F53 WeakPolarHBondContact O-CB 3.36Å; L50-F53 PolarHBondContact O-N 3.19Å; S51-F53 PolarHBondContact O-N 2.99Å; S51-F53 VanDerWaalsContact O-N 3.14Å; F53-L55 VanDerWaalsContact C-N 3.27Å; F53-L55 PolarHBondContact O-N 3.47Å; F53-A56 PolarHBondContact O-N 3.42Å; F53-T57 HydrophobicContact CD1-CG2 4.16Å; F53-T57 HydrophobicContact CE1-CG2 3.83Å; F53-T57 HydrophobicContact CZ-CG2 4.29Å; F53-T57 WeakPolarHBondContact O-CB 3.43Å; F53-T57 WeakPolarHBondContact O-CG2 3.26Å; F53-T57 PolarHBondContact O-N 3.14Å; F53-I71 HydrophobicContact CD2-CB 3.91Å; F53-I71 HydrophobicContact CD2-CD1 3.99Å; F53-I71 HydrophobicContact CD2-CG1 4.08Å; F53-I71 HydrophobicContact CE2-CB 3.74Å; F53-I71 HydrophobicContact CE2-CD1 4.01Å; F53-I71 HydrophobicContact CE2-CG1 3.72Å; F53-Q82 HydrophobicContact CB-CB 4.45Å; F53-Q82 HydrophobicContact CD2-CB 3.2Å; F53-Q82 HydrophobicContact CD2-CG 4.13Å; F53-Q82 HydrophobicContact CE2-CB 3.41Å; F53-Q82 VanDerWaalsContact CE2-CB 3.41Å; F53-Q82 WeakPolarHBondContact CE2-O 3.17Å; F53-Q82 HydrophobicContact CG-CB 3.83Å; F53-Q82 HydrophobicContact CZ-CB 4.2Å; F53-N84 HydrophobicContact CE1-CB 4.12Å; F53-N84 HydrophobicContact CZ-CB 3.9Å; F53-V89 HydrophobicContact CB-CG1 4.22Å; F53-V89 HydrophobicContact CD1-CB 4.13Å; F53-V89 HydrophobicContact CD1-CG1 3.32Å; F53-V89 HydrophobicContact CD1-CG2 3.64Å; F53-V89 HydrophobicContact CE1-CG1 3.79Å; F53-V89 HydrophobicContact CE1-CG2 4.08Å; F53-V89 HydrophobicContact CG-CG1 3.83Å |
| 54 | A | 94.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.5 | -38.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R27 S51 T52 T57 D58 | R27-A54 HydrophobicContact CB-CB 4.21Å; R27-A54 VanDerWaalsContact O-CB 3.3Å; R27-A54 WeakPolarHBondContact O-CB 3.48Å; S51-A54 PolarHBondContact O-N 3.27Å; T52-A54 PolarHBondContact O-N 3.33Å; A54-T57 WeakPolarHBondContact O-CG2 3.47Å; A54-D58 PolarHBondContact O-N 3.45Å |
| 55 | L | 92.8 | Very high | 95.7 | Very high | 125 Ų | 125 | 63.9 Ų | 63.9 | 65% | 0.654 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.5 | -47.8 | 173.9 | -62.8 | 175.3 | 0 | 0 | 0 | 111.4 | T52 F53 T57 D58 Q59 | T52-L55 PolarHBondContact O-N 3.26Å; F53-L55 VanDerWaalsContact C-N 3.27Å; F53-L55 PolarHBondContact O-N 3.47Å; L55-T57 PolarHBondContact O-N 3.06Å; L55-D58 PolarHBondContact O-N 2.97Å; L55-Q59 WeakPolarHBondContact O-CG 3.1Å; L55-Q59 PolarHBondContact O-N 3.11Å; L55-Q59 VanDerWaalsContact O-N 3.13Å |
| 56 | A | 95.8 | Very high | 95.5 | Very high | 43 Ų | 43 | 68 Ų | 68 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T52 F53 Q59 G60 I71 | T52-A56 WeakPolarHBondContact O-CB 3.44Å; T52-A56 PolarHBondContact O-N 3.33Å; F53-A56 PolarHBondContact O-N 3.42Å; A56-Q59 PolarHBondContact O-N 3.35Å; A56-G60 PolarHBondContact O-N 2.84Å; A56-I71 HydrophobicContact CB-CD1 3.58Å |
| 57 | T | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70 | -34.7 | 179.7 | -164.1 | 0 | 0 | 0 | 0 | 111.9 | F53 A54 L55 S61 N68 N84 L86 | F53-T57 HydrophobicContact CD1-CG2 4.16Å; F53-T57 HydrophobicContact CE1-CG2 3.83Å; F53-T57 HydrophobicContact CZ-CG2 4.29Å; F53-T57 WeakPolarHBondContact O-CB 3.43Å; F53-T57 WeakPolarHBondContact O-CG2 3.26Å; F53-T57 PolarHBondContact O-N 3.14Å; A54-T57 WeakPolarHBondContact O-CG2 3.47Å; L55-T57 PolarHBondContact O-N 3.06Å; T57-S61 WeakPolarHBondContact O-CB 3.38Å; T57-S61 PolarHBondContact O-N 2.75Å; T57-S61 PolarHBondContact O-OG 3.21Å; T57-N68 PolarHBondContact OG1-OD1 3.42Å; T57-N84 PolarHBondContact OG1-ND2 3.32Å; T57-N84 VanDerWaalsContact OG1-ND2 3.16Å; T57-L86 HydrophobicContact CG2-CD1 4.28Å |
| 58 | D | 93.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 43% | 0.428 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 173.3 | -179.8 | 62 | 0 | 0 | 0 | 111 | A54 L55 G60 S61 K62 | A54-D58 PolarHBondContact O-N 3.45Å; L55-D58 PolarHBondContact O-N 2.97Å; D58-G60 PolarHBondContact O-N 3.48Å; D58-S61 PolarHBondContact O-N 3.26Å; D58-K62 WeakPolarHBondContact O-CG 3.06Å; D58-K62 PolarHBondContact O-N 2.83Å; D58-K62 WeakPolarHBondContact OD2-CE 3.3Å; D58-K62 IonicContact OD2-NZ 3.2Å; D58-K62 PolarHBondContact OD2-NZ 2.82Å |
| 59 | Q | 95.4 | Very high | 95.4 | Very high | 114 Ų | 114 | 72 Ų | 72 | 53% | 0.533 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 177.2 | -60.7 | -57.2 | -30.6 | 0 | 0 | 112.2 | L55 A56 S61 K62 | L55-Q59 WeakPolarHBondContact O-CG 3.1Å; L55-Q59 PolarHBondContact O-N 3.11Å; L55-Q59 VanDerWaalsContact O-N 3.13Å; A56-Q59 PolarHBondContact O-N 3.35Å; Q59-S61 VanDerWaalsContact C-N 3.27Å; Q59-S61 PolarHBondContact O-N 3.26Å; Q59-K62 VanDerWaalsContact NE2-NZ 3.12Å; Q59-K62 WeakPolarHBondContact O-CB 3.45Å; Q59-K62 PolarHBondContact O-N 3.01Å; Q59-K62 VanDerWaalsContact O-N 3.11Å |
| 60 | G | 93.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 71.9 Ų | 71.9 | 28% | 0.278 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -35.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | A56 D58 K62 L63 | A56-G60 PolarHBondContact O-N 2.84Å; D58-G60 PolarHBondContact O-N 3.48Å; G60-K62 PolarHBondContact O-N 2.93Å; G60-L63 WeakPolarHBondContact O-CB 3.42Å; G60-L63 WeakPolarHBondContact O-CG 3.4Å; G60-L63 PolarHBondContact O-N 2.76Å |
| 61 | S | 95.6 | Very high | 95.4 | Very high | 33 Ų | 33 | 73.8 Ų | 73.8 | 23% | 0.231 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.1 | -19.6 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | T57 D58 Q59 L63 N68 | T57-S61 WeakPolarHBondContact O-CB 3.38Å; T57-S61 PolarHBondContact O-N 2.75Å; T57-S61 PolarHBondContact O-OG 3.21Å; D58-S61 PolarHBondContact O-N 3.26Å; Q59-S61 VanDerWaalsContact C-N 3.27Å; Q59-S61 PolarHBondContact O-N 3.26Å; S61-L63 VanDerWaalsContact C-N 3.26Å; S61-L63 PolarHBondContact O-N 3.28Å; S61-N68 PolarHBondContact OG-N 3.42Å |
| 62 | K | 96.6 | Very high | 95.5 | Very high | 124 Ų | 124 | 75.5 Ų | 75.5 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -5.7 | 178.2 | -65.9 | 170.9 | -168.4 | 165.3 | 0 | 113.7 | D58 Q59 G60 G64 | D58-K62 WeakPolarHBondContact O-CG 3.06Å; D58-K62 PolarHBondContact O-N 2.83Å; D58-K62 WeakPolarHBondContact OD2-CE 3.3Å; D58-K62 IonicContact OD2-NZ 3.2Å; D58-K62 PolarHBondContact OD2-NZ 2.82Å; Q59-K62 VanDerWaalsContact NE2-NZ 3.12Å; Q59-K62 WeakPolarHBondContact O-CB 3.45Å; Q59-K62 PolarHBondContact O-N 3.01Å; Q59-K62 VanDerWaalsContact O-N 3.11Å; G60-K62 PolarHBondContact O-N 2.93Å; K62-G64 PolarHBondContact O-N 2.83Å |
| 63 | L | 94.5 | Very high | 95.6 | Very high | 134 Ų | 134 | 73.4 Ų | 73.4 | 70% | 0.702 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 2.6 | 178.8 | -61.9 | 177.1 | 0 | 0 | 0 | 114.1 | G60 S61 L65 | G60-L63 WeakPolarHBondContact O-CB 3.42Å; G60-L63 WeakPolarHBondContact O-CG 3.4Å; G60-L63 PolarHBondContact O-N 2.76Å; S61-L63 VanDerWaalsContact C-N 3.26Å; S61-L63 PolarHBondContact O-N 3.28Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.16Å |
| 64 | G | 93.9 | Very high | 95.7 | Very high | 69 Ų | 69 | 79.9 Ų | 79.9 | 71% | 0.711 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 79.5 | 8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K62 | K62-G64 PolarHBondContact O-N 2.83Š|
| 65 | L | 94.2 | Very high | 95.8 | Very high | 151 Ų | 151 | 83.5 Ų | 83.5 | 79% | 0.791 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -99.4 | 32.4 | -178.6 | -60.6 | 179 | 0 | 0 | 0 | 113.3 | L63 | L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.16Å |
| 66 | S | 95 | Very high | 96 | Very high | 100 Ų | 100 | 84.9 Ų | 84.9 | 70% | 0.699 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 65.8 | -173 | -169.8 | -160.8 | 0 | 0 | 0 | 0 | 113.4 | N68 | S66-N68 PolarHBondContact O-N 3.44Š|
| 67 | K | 94.9 | Very high | 96.1 | Very high | 121 Ų | 121 | 87.3 Ų | 87.3 | 53% | 0.526 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -68.6 | 124.5 | -179.6 | -172.5 | 174.9 | -179.6 | -179.9 | 0 | 109.9 | K69 N84 | K67-K69 PolarHBondContact O-N 2.86Å; K67-N84 WeakPolarHBondContact CE-ND2 3.17Å |
| 68 | N | 96.7 | Very high | 96.2 | Very high | 45 Ų | 45 | 88 Ų | 88 | 24% | 0.241 | 47% | 0.47 | C | S | . | . | trans | -61.1 | 127.9 | 173.5 | 172.8 | -97.3 | 0 | 0 | 0 | 109.7 | T57 S61 S66 S70 N84 | T57-N68 PolarHBondContact OG1-OD1 3.42Å; S61-N68 PolarHBondContact OG-N 3.42Å; S66-N68 PolarHBondContact O-N 3.44Å; N68-S70 PolarHBondContact ND2-O 2.91Å; N68-S70 PolarHBondContact OD1-O 2.97Å; N68-N84 VanDerWaalsContact O-CB 3.3Å; N68-N84 WeakPolarHBondContact O-CB 3.39Å; N68-N84 PolarHBondContact O-ND2 2.99Å | ||
| 69 | K | 96.4 | Very high | 96.5 | Very high | 170 Ų | 170 | 84.2 Ų | 84.2 | 74% | 0.739 | 45% | 0.45 | S | S | * | . | trans | -93.1 | -31.9 | -175.9 | -64 | -177.5 | -179.2 | 177.9 | 0 | 112.9 | K67 N84 | K67-K69 PolarHBondContact O-N 2.86Å; K69-N84 WeakPolarHBondContact O-CB 3.42Å; K69-N84 PolarHBondContact O-N 3.32Å | ||
| 70 | S | 97.8 | Very high | 96.6 | Very high | 41 Ų | 41 | 78.8 Ų | 78.8 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 160.2 | -178.1 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | N68 Q82 | N68-S70 PolarHBondContact ND2-O 2.91Å; N68-S70 PolarHBondContact OD1-O 2.97Å; S70-Q82 CarbonylContact C-O 3.58Å; S70-Q82 WeakPolarHBondContact CA-O 3.43Å; S70-Q82 WeakPolarHBondContact CB-O 3.39Å |
| 71 | I | 98.1 | Very high | 96.9 | Very high | 40 Ų | 40 | 77.5 Ų | 77.5 | 21% | 0.205 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.8 | 172.1 | -59.9 | -179.3 | 0 | 0 | 0 | 107.1 | F53 A56 Q82 | F53-I71 HydrophobicContact CD2-CB 3.91Å; F53-I71 HydrophobicContact CD2-CD1 3.99Å; F53-I71 HydrophobicContact CD2-CG1 4.08Å; F53-I71 HydrophobicContact CE2-CB 3.74Å; F53-I71 HydrophobicContact CE2-CD1 4.01Å; F53-I71 HydrophobicContact CE2-CG1 3.72Å; A56-I71 HydrophobicContact CB-CD1 3.58Å; I71-Q82 PolarHBondContact N-O 2.82Å; I71-Q82 PolarHBondContact O-N 3Å |
| 72 | I | 98.3 | Very high | 97 | Very high | 67 Ų | 67 | 76.3 Ų | 76.3 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118 | -179.1 | -53.1 | -176.2 | 0 | 0 | 0 | 107.8 | Y74 V80 V81 T100 | I72-Y74 HydrophobicContact CG2-CD2 4.03Å; I72-Y74 HydrophobicContact CG2-CE2 3.6Å; I72-V80 WeakPolarHBondContact CA-O 3.35Å; I72-V81 HydrophobicContact CD1-CG1 4.22Å; I72-V81 HydrophobicContact CG1-CG1 4.03Å; I72-V81 HydrophobicContact CG2-CG2 4.27Å; I72-T100 HydrophobicContact CD1-CG2 3.75Å; I72-T100 HydrophobicContact CG2-CG2 4.14Å |
| 73 | C | 97.9 | Very high | 97.1 | Very high | 37 Ų | 37 | 70.9 Ų | 70.9 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.4 | -179.1 | -61.3 | 0 | 0 | 0 | 0 | 109.5 | Y75 Q79 V80 | C73-Y75 HydrophobicContact CB-CD2 4.46Å; C73-Y75 HydrophobicContact CB-CE2 3.64Å; C73-Q79 CarbonylContact O-C 3.53Å; C73-Q79 VanDerWaalsContact O-CA 3.27Å; C73-Q79 WeakPolarHBondContact O-CA 3.27Å; C73-V80 HydrophobicContact CB-CB 4.42Å; C73-V80 PolarHBondContact N-O 3.24Å; C73-V80 PolarHBondContact O-N 3.19Å |
| 74 | Y | 98.1 | Very high | 97.2 | Very high | 139 Ų | 139 | 65.1 Ų | 65.1 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.9 | 172.4 | -76 | -97.4 | 0 | 0 | 0 | 110 | I72 Q79 T100 | I72-Y74 HydrophobicContact CG2-CD2 4.03Å; I72-Y74 HydrophobicContact CG2-CE2 3.6Å; Y74-Q79 HydrophobicContact CD1-CB 4.11Å; Y74-Q79 HydrophobicContact CE1-CB 4.3Å; Y74-T100 PolarHBondContact OH-OG1 3.42Å |
| 75 | Y | 96.8 | Very high | 97.2 | Very high | 93 Ų | 93 | 65.5 Ų | 65.5 | 37% | 0.365 | 33% | 0.328 | S | S | . | . | trans | -112.2 | 174.9 | 169.3 | -56.4 | -87.5 | 0 | 0 | 0 | 109 | F49 C73 T77 Y78 V80 S96 | F49-Y75 AromaticContact CZ-CE2 3.87Å; F49-Y75 HydrophobicContact CZ-CE2 3.87Å; F49-Y75 AromaticContact CZ-CZ 3.8Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.33Å; C73-Y75 HydrophobicContact CB-CD2 4.46Å; C73-Y75 HydrophobicContact CB-CE2 3.64Å; Y75-T77 VanDerWaalsContact C-N 3.32Å; Y75-T77 PolarHBondContact O-N 3.08Å; Y75-Y78 CarbonylContact C-O 3.45Å; Y75-Y78 WeakPolarHBondContact CA-O 3.46Å; Y75-Y78 VanDerWaalsContact CB-O 3.31Å; Y75-Y78 WeakPolarHBondContact CB-O 3.39Å; Y75-Y78 AromaticContact CD2-CD2 3.79Å; Y75-Y78 HydrophobicContact CD2-CD2 3.79Å; Y75-Y78 HydrophobicContact CD2-CE1 4.03Å; Y75-Y78 AromaticContact CD2-CE2 3.2Å; Y75-Y78 HydrophobicContact CD2-CE2 3.2Å; Y75-Y78 HydrophobicContact CD2-CG 4.38Å; Y75-Y78 AromaticContact CD2-CZ 3.3Å; Y75-Y78 WeakPolarHBondContact CD2-OH 3.45Å; Y75-Y78 HydrophobicContact CE2-CD2 4.44Å; Y75-Y78 AromaticContact CE2-CE2 3.58Å; Y75-Y78 HydrophobicContact CE2-CE2 3.58Å; Y75-Y78 AromaticContact CE2-CZ 3.8Å; Y75-Y78 HydrophobicContact CG-CD1 4.46Å; Y75-Y78 HydrophobicContact CG-CD2 4.5Å; Y75-Y78 AromaticContact CG-CE1 3.84Å; Y75-Y78 HydrophobicContact CG-CE1 3.84Å; Y75-Y78 AromaticContact CG-CE2 3.9Å; Y75-Y78 HydrophobicContact CG-CE2 3.9Å; Y75-Y78 AromaticContact CG-CZ 3.48Å; Y75-Y78 VanDerWaalsContact CG-CZ 3.48Å; Y75-Y78 PolarHBondContact N-O 3.17Å; Y75-V80 HydrophobicContact CD2-CG2 4.4Å; Y75-V80 HydrophobicContact CE2-CB 4.5Å; Y75-V80 HydrophobicContact CE2-CG2 3.99Å; Y75-S96 WeakPolarHBondContact O-CB 3.45Å | ||
| 76 | N | 97.1 | Very high | 97.1 | Very high | 154 Ų | 154 | 60.4 Ų | 60.4 | 82% | 0.824 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -57.4 | -43.5 | -176.1 | -168 | 57.3 | 0 | 0 | 0 | 112.7 | S96 | N76-S96 PolarHBondContact O-OG 2.8Š|
| 77 | T | 97.6 | Very high | 97 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -113.7 | -12.9 | -173.1 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | Y75 S96 | Y75-T77 VanDerWaalsContact C-N 3.32Å; Y75-T77 PolarHBondContact O-N 3.08Å; T77-S96 PolarHBondContact O-N 2.93Å; T77-S96 VanDerWaalsContact O-N 3.17Å |
| 78 | Y | 98.5 | Very high | 97 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 159.3 | -177.6 | 70.3 | -81.3 | 0 | 0 | 0 | 111.1 | P41 H43 A44 F49 Y75 V80 I93 A94 | P41-Y78 HydrophobicContact CB-CD1 4.35Å; P41-Y78 HydrophobicContact CB-CG 4.5Å; P41-Y78 HydrophobicContact CG-CD1 4.03Å; P41-Y78 HydrophobicContact CG-CD2 3.81Å; P41-Y78 HydrophobicContact CG-CE1 4.49Å; P41-Y78 HydrophobicContact CG-CE2 4.27Å; P41-Y78 HydrophobicContact CG-CG 3.7Å; H43-Y78 AromaticContact CE1-CE1 3.68Å; H43-Y78 AromaticContact CE1-CZ 3.85Å; H43-Y78 AromaticContact NE2-CE1 3.47Å; H43-Y78 WeakPolarHBondContact NE2-CE1 3.5Å; H43-Y78 AromaticContact NE2-CZ 3.25Å; H43-Y78 PolarHBondContact NE2-OH 3.16Å; A44-Y78 HydrophobicContact CB-CD2 4.49Å; A44-Y78 HydrophobicContact CB-CE2 3.91Å; F49-Y78 HydrophobicContact CZ-CE2 4.35Å; Y75-Y78 CarbonylContact C-O 3.45Å; Y75-Y78 WeakPolarHBondContact CA-O 3.46Å; Y75-Y78 VanDerWaalsContact CB-O 3.31Å; Y75-Y78 WeakPolarHBondContact CB-O 3.39Å; Y75-Y78 AromaticContact CD2-CD2 3.79Å; Y75-Y78 HydrophobicContact CD2-CD2 3.79Å; Y75-Y78 HydrophobicContact CD2-CE1 4.03Å; Y75-Y78 AromaticContact CD2-CE2 3.2Å; Y75-Y78 HydrophobicContact CD2-CE2 3.2Å; Y75-Y78 HydrophobicContact CD2-CG 4.38Å; Y75-Y78 AromaticContact CD2-CZ 3.3Å; Y75-Y78 WeakPolarHBondContact CD2-OH 3.45Å; Y75-Y78 HydrophobicContact CE2-CD2 4.44Å; Y75-Y78 AromaticContact CE2-CE2 3.58Å; Y75-Y78 HydrophobicContact CE2-CE2 3.58Å; Y75-Y78 AromaticContact CE2-CZ 3.8Å; Y75-Y78 HydrophobicContact CG-CD1 4.46Å; Y75-Y78 HydrophobicContact CG-CD2 4.5Å; Y75-Y78 AromaticContact CG-CE1 3.84Å; Y75-Y78 HydrophobicContact CG-CE1 3.84Å; Y75-Y78 AromaticContact CG-CE2 3.9Å; Y75-Y78 HydrophobicContact CG-CE2 3.9Å; Y75-Y78 AromaticContact CG-CZ 3.48Å; Y75-Y78 VanDerWaalsContact CG-CZ 3.48Å; Y75-Y78 PolarHBondContact N-O 3.17Å; Y78-V80 HydrophobicContact CD2-CG2 3.64Å; Y78-V80 HydrophobicContact CE2-CG2 3.47Å; Y78-V80 VanDerWaalsContact CE2-CG2 3.47Å; Y78-I93 HydrophobicContact CD2-CG2 4.24Å; Y78-A94 CarbonylContact C-O 3.53Å; Y78-A94 WeakPolarHBondContact CA-O 3.36Å; Y78-A94 VanDerWaalsContact CB-O 3.25Å; Y78-A94 WeakPolarHBondContact CB-O 3.3Å |
| 79 | Q | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 152.5 | 169.2 | 70.4 | -175.8 | -86.9 | 0 | 0 | 110 | C73 Y74 V81 A94 S95 A98 T100 I103 | C73-Q79 CarbonylContact O-C 3.53Å; C73-Q79 VanDerWaalsContact O-CA 3.27Å; C73-Q79 WeakPolarHBondContact O-CA 3.27Å; Y74-Q79 HydrophobicContact CD1-CB 4.11Å; Y74-Q79 HydrophobicContact CE1-CB 4.3Å; Q79-V81 HydrophobicContact CG-CG2 4.46Å; Q79-A94 HydrophobicContact CG-CB 3.98Å; Q79-A94 PolarHBondContact N-O 3.43Å; Q79-A94 PolarHBondContact O-N 2.68Å; Q79-S95 PolarHBondContact NE2-O 3.16Å; Q79-A98 PolarHBondContact NE2-O 2.97Å; Q79-T100 PolarHBondContact OE1-OG1 3.47Å; Q79-I103 HydrophobicContact CG-CD1 4.45Å |
| 80 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 117.2 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | F49 I72 C73 Y75 Y78 Q82 F92 I93 | F49-V80 HydrophobicContact CE1-CG1 4.21Å; F49-V80 HydrophobicContact CE1-CG2 3.97Å; F49-V80 HydrophobicContact CZ-CG2 4.08Å; I72-V80 WeakPolarHBondContact CA-O 3.35Å; C73-V80 HydrophobicContact CB-CB 4.42Å; C73-V80 PolarHBondContact N-O 3.24Å; C73-V80 PolarHBondContact O-N 3.19Å; Y75-V80 HydrophobicContact CD2-CG2 4.4Å; Y75-V80 HydrophobicContact CE2-CB 4.5Å; Y75-V80 HydrophobicContact CE2-CG2 3.99Å; Y78-V80 HydrophobicContact CD2-CG2 3.64Å; Y78-V80 HydrophobicContact CE2-CG2 3.47Å; Y78-V80 VanDerWaalsContact CE2-CG2 3.47Å; V80-Q82 HydrophobicContact CG1-CG 3.65Å; V80-F92 WeakPolarHBondContact CA-O 3.32Å; V80-I93 HydrophobicContact CG1-CG1 4.43Å; V80-I93 HydrophobicContact CG2-CG1 4.25Å |
| 81 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 109.5 | -179.1 | -169.5 | 0 | 0 | 0 | 0 | 107.5 | I72 Q79 F83 F92 T100 I103 V104 | I72-V81 HydrophobicContact CD1-CG1 4.22Å; I72-V81 HydrophobicContact CG1-CG1 4.03Å; I72-V81 HydrophobicContact CG2-CG2 4.27Å; Q79-V81 HydrophobicContact CG-CG2 4.46Å; V81-F83 HydrophobicContact CB-CE2 4.2Å; V81-F83 HydrophobicContact CG1-CD2 4.37Å; V81-F83 HydrophobicContact CG1-CE1 4.49Å; V81-F83 HydrophobicContact CG1-CE2 3.42Å; V81-F83 VanDerWaalsContact CG1-CE2 3.42Å; V81-F83 HydrophobicContact CG1-CZ 3.49Å; V81-F83 VanDerWaalsContact CG1-CZ 3.49Å; V81-F92 HydrophobicContact CB-CB 4.3Å; V81-F92 PolarHBondContact N-O 3.42Å; V81-F92 PolarHBondContact O-N 2.88Å; V81-T100 HydrophobicContact CG2-CG2 4.07Å; V81-I103 HydrophobicContact CB-CG2 3.93Å; V81-I103 HydrophobicContact CG1-CG2 4.13Å; V81-I103 HydrophobicContact CG2-CB 4.42Å; V81-I103 HydrophobicContact CG2-CD1 3.98Å; V81-I103 HydrophobicContact CG2-CG2 3.92Å; V81-V104 HydrophobicContact CG1-CG2 4.44Å |
| 82 | Q | 98.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.7 | -174.6 | -65.4 | 178.6 | -69.8 | 0 | 0 | 111.1 | F53 S70 I71 V80 V89 V90 S91 | F53-Q82 HydrophobicContact CB-CB 4.45Å; F53-Q82 HydrophobicContact CD2-CB 3.2Å; F53-Q82 HydrophobicContact CD2-CG 4.13Å; F53-Q82 HydrophobicContact CE2-CB 3.41Å; F53-Q82 VanDerWaalsContact CE2-CB 3.41Å; F53-Q82 WeakPolarHBondContact CE2-O 3.17Å; F53-Q82 HydrophobicContact CG-CB 3.83Å; F53-Q82 HydrophobicContact CZ-CB 4.2Å; S70-Q82 CarbonylContact C-O 3.58Å; S70-Q82 WeakPolarHBondContact CA-O 3.43Å; S70-Q82 WeakPolarHBondContact CB-O 3.39Å; I71-Q82 PolarHBondContact N-O 2.82Å; I71-Q82 PolarHBondContact O-N 3Å; V80-Q82 HydrophobicContact CG1-CG 3.65Å; Q82-V89 HydrophobicContact CB-CG1 4.46Å; Q82-V90 CarbonylContact C-O 3.53Å; Q82-V90 VanDerWaalsContact CA-O 3.3Å; Q82-V90 WeakPolarHBondContact CA-O 3.49Å; Q82-S91 WeakPolarHBondContact CG-OG 3.26Å; Q82-S91 PolarHBondContact NE2-OG 3.19Å |
| 83 | F | 98.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.044 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.5 | -174.4 | -61 | -96.6 | 0 | 0 | 0 | 110.6 | V81 R85 V90 F92 V104 E107 | V81-F83 HydrophobicContact CB-CE2 4.2Å; V81-F83 HydrophobicContact CG1-CD2 4.37Å; V81-F83 HydrophobicContact CG1-CE1 4.49Å; V81-F83 HydrophobicContact CG1-CE2 3.42Å; V81-F83 VanDerWaalsContact CG1-CE2 3.42Å; V81-F83 HydrophobicContact CG1-CZ 3.49Å; V81-F83 VanDerWaalsContact CG1-CZ 3.49Å; F83-R85 PolarHBondContact O-N 3.27Å; F83-R85 VanDerWaalsContact O-N 3.16Å; F83-V90 HydrophobicContact CB-CB 4.42Å; F83-V90 PolarHBondContact N-O 3.48Å; F83-V90 PolarHBondContact O-N 3.41Å; F83-F92 AromaticContact CD2-CD2 3.96Å; F83-F92 HydrophobicContact CD2-CD2 3.96Å; F83-F92 HydrophobicContact CD2-CE2 4Å; F83-F92 AromaticContact CE2-CD2 3.63Å; F83-F92 HydrophobicContact CE2-CD2 3.63Å; F83-F92 AromaticContact CE2-CE2 3.81Å; F83-F92 HydrophobicContact CE2-CE2 3.81Å; F83-V104 HydrophobicContact CE1-CG2 4.33Å; F83-V104 HydrophobicContact CZ-CB 4.46Å; F83-V104 HydrophobicContact CZ-CG2 4Å; F83-E107 HydrophobicContact CB-CG 4.34Å; F83-E107 HydrophobicContact CD1-CB 4.39Å; F83-E107 HydrophobicContact CD1-CG 3.83Å; F83-E107 HydrophobicContact CD2-CB 4.16Å; F83-E107 HydrophobicContact CD2-CG 3.59Å; F83-E107 HydrophobicContact CE1-CB 3.97Å; F83-E107 HydrophobicContact CE1-CG 3.93Å; F83-E107 HydrophobicContact CE2-CB 3.69Å; F83-E107 HydrophobicContact CE2-CG 3.68Å; F83-E107 HydrophobicContact CG-CB 4.47Å; F83-E107 HydrophobicContact CG-CG 3.65Å; F83-E107 HydrophobicContact CZ-CB 3.59Å; F83-E107 HydrophobicContact CZ-CG 3.86Å |
| 84 | N | 96.2 | Very high | 97.3 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 98.4 | -179.9 | -172.6 | -11.3 | 0 | 0 | 0 | 109.7 | F53 T57 K67 N68 K69 L86 | F53-N84 HydrophobicContact CE1-CB 4.12Å; F53-N84 HydrophobicContact CZ-CB 3.9Å; T57-N84 PolarHBondContact OG1-ND2 3.32Å; T57-N84 VanDerWaalsContact OG1-ND2 3.16Å; K67-N84 WeakPolarHBondContact CE-ND2 3.17Å; N68-N84 VanDerWaalsContact O-CB 3.3Å; N68-N84 WeakPolarHBondContact O-CB 3.39Å; N68-N84 PolarHBondContact O-ND2 2.99Å; K69-N84 WeakPolarHBondContact O-CB 3.42Å; K69-N84 PolarHBondContact O-N 3.32Å; N84-L86 VanDerWaalsContact OD1-CG 3.32Å; N84-L86 WeakPolarHBondContact OD1-CG 3.3Å; N84-L86 PolarHBondContact OD1-N 2.62Å |
| 85 | R | 94.6 | Very high | 97.3 | Very high | 77 Ų | 77 | 26.8 Ų | 26.8 | 29% | 0.291 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 30.9 | 174.1 | -60.9 | -71.3 | 177.7 | -134.7 | 4.7 | 110.5 | F83 L88 V90 E107 | F83-R85 PolarHBondContact O-N 3.27Å; F83-R85 VanDerWaalsContact O-N 3.16Å; R85-L88 CarbonylContact C-O 3.59Å; R85-L88 WeakPolarHBondContact CA-O 3.38Å; R85-L88 PolarHBondContact N-O 3.19Å; R85-L88 PolarHBondContact O-N 2.85Å; R85-L88 VanDerWaalsContact O-O 3.04Å; R85-V90 HydrophobicContact CB-CG2 4.42Å; R85-V90 HydrophobicContact CG-CG2 3.99Å; R85-E107 IonicContact CZ-OE1 3.52Å; R85-E107 IonicContact NE-OE1 2.8Å; R85-E107 PolarHBondContact NE-OE1 2.96Å; R85-E107 VanDerWaalsContact NH2-CD 3.32Å; R85-E107 IonicContact NH2-OE1 3.56Å; R85-E107 PolarHBondContact NH2-OE1 3.26Å; R85-E107 IonicContact NH2-OE2 2.84Å; R85-E107 PolarHBondContact NH2-OE2 2.99Å; R85-E107 VanDerWaalsContact NH2-OE2 3.16Å |
| 86 | L | 91.5 | Very high | 97.4 | Very high | 45 Ų | 45 | 24.3 Ų | 24.3 | 24% | 0.236 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 134 | -170.7 | -75.9 | 172.6 | 0 | 0 | 0 | 110.8 | R27 T57 N84 L88 V89 R118 | R27-L86 HydrophobicContact CB-CD2 4.03Å; T57-L86 HydrophobicContact CG2-CD1 4.28Å; N84-L86 VanDerWaalsContact OD1-CG 3.32Å; N84-L86 WeakPolarHBondContact OD1-CG 3.3Å; N84-L86 PolarHBondContact OD1-N 2.62Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 VanDerWaalsContact CA-N 3.27Å; L86-L88 WeakPolarHBondContact CA-O 3.44Å; L86-L88 PolarHBondContact N-O 2.68Å; L86-V89 HydrophobicContact CD2-CG2 4.08Å; L86-R118 PolarHBondContact O-NE 3.17Å |
| 87 | P | 92.6 | Very high | 97.4 | Very high | 25 Ų | 25 | 22 Ų | 22 | 16% | 0.162 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.4 | -2.2 | 18.3 | 32.6 | -37.9 | 0 | 0 | 0 | 116.4 | R27 V121 E122 | R27-P87 PolarHBondContact N-O 3.43Å; P87-V121 HydrophobicContact CG-CG1 4.31Å; P87-E122 VanDerWaalsContact CD-OE1 3.29Å; P87-E122 WeakPolarHBondContact CD-OE1 3.42Å; P87-E122 HydrophobicContact CG-CG 3.88Å |
| 88 | L | 95.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 156 | 173.4 | -62.5 | 179.1 | 0 | 0 | 0 | 113.2 | V24 S25 V32 R85 L86 L117 R118 V121 | V24-L88 HydrophobicContact CG1-CB 4.26Å; V24-L88 HydrophobicContact CG1-CD1 3.94Å; V24-L88 HydrophobicContact CG1-CD2 4.3Å; V24-L88 HydrophobicContact CG1-CG 4.4Å; S25-L88 CarbonylContact O-C 3.5Å; S25-L88 VanDerWaalsContact O-CA 3.31Å; S25-L88 WeakPolarHBondContact O-CA 3.33Å; S25-L88 WeakPolarHBondContact O-CD2 3.49Å; V32-L88 HydrophobicContact CG2-CD2 3.97Å; R85-L88 CarbonylContact C-O 3.59Å; R85-L88 WeakPolarHBondContact CA-O 3.38Å; R85-L88 PolarHBondContact N-O 3.19Å; R85-L88 PolarHBondContact O-N 2.85Å; R85-L88 VanDerWaalsContact O-O 3.04Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 VanDerWaalsContact CA-N 3.27Å; L86-L88 WeakPolarHBondContact CA-O 3.44Å; L86-L88 PolarHBondContact N-O 2.68Å; L88-L117 HydrophobicContact CD1-CB 4.1Å; L88-R118 HydrophobicContact CD1-CB 4.12Å; L88-V121 HydrophobicContact CD1-CG2 4.49Å; L88-V121 HydrophobicContact CD2-CG2 4.26Å |
| 89 | V | 97.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.3 | 170.8 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | V24 S25 F53 Q82 L86 | V24-V89 WeakPolarHBondContact CA-O 3.29Å; S25-V89 PolarHBondContact N-O 3.45Å; S25-V89 PolarHBondContact O-N 3.13Å; F53-V89 HydrophobicContact CB-CG1 4.22Å; F53-V89 HydrophobicContact CD1-CB 4.13Å; F53-V89 HydrophobicContact CD1-CG1 3.32Å; F53-V89 HydrophobicContact CD1-CG2 3.64Å; F53-V89 HydrophobicContact CE1-CG1 3.79Å; F53-V89 HydrophobicContact CE1-CG2 4.08Å; F53-V89 HydrophobicContact CG-CG1 3.83Å; Q82-V89 HydrophobicContact CB-CG1 4.46Å; L86-V89 HydrophobicContact CD2-CG2 4.08Å |
| 90 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.5 | 175.7 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | V23 V24 Q82 F83 R85 F92 F114 | V23-V90 CarbonylContact O-C 3.58Å; V24-V90 HydrophobicContact CG2-CG2 4.43Å; Q82-V90 CarbonylContact C-O 3.53Å; Q82-V90 VanDerWaalsContact CA-O 3.3Å; Q82-V90 WeakPolarHBondContact CA-O 3.49Å; F83-V90 HydrophobicContact CB-CB 4.42Å; F83-V90 PolarHBondContact N-O 3.48Å; F83-V90 PolarHBondContact O-N 3.41Å; R85-V90 HydrophobicContact CB-CG2 4.42Å; R85-V90 HydrophobicContact CG-CG2 3.99Å; V90-F92 HydrophobicContact CG1-CD2 4.18Å; V90-F92 HydrophobicContact CG1-CE2 3.51Å; V90-F92 HydrophobicContact CG1-CZ 4.19Å; V90-F114 HydrophobicContact CB-CE2 4.48Å; V90-F114 HydrophobicContact CG1-CD2 4.08Å; V90-F114 HydrophobicContact CG1-CE1 4.13Å; V90-F114 HydrophobicContact CG1-CE2 3.56Å; V90-F114 HydrophobicContact CG1-CZ 3.6Å; V90-F114 HydrophobicContact CG2-CB 4.23Å; V90-F114 HydrophobicContact CG2-CD1 4.08Å; V90-F114 HydrophobicContact CG2-CD2 3.89Å; V90-F114 HydrophobicContact CG2-CE1 4.42Å; V90-F114 HydrophobicContact CG2-CE2 4.23Å; V90-F114 HydrophobicContact CG2-CG 3.81Å; V90-F114 HydrophobicContact CG2-CZ 4.49Å |
| 91 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.8 | -175.7 | -51.8 | 0 | 0 | 0 | 0 | 110.4 | I22 V23 Q82 | I22-S91 CarbonylContact C-O 3.53Å; I22-S91 WeakPolarHBondContact CA-O 3.44Å; V23-S91 PolarHBondContact N-O 3.33Å; V23-S91 PolarHBondContact O-N 3.35Å; Q82-S91 WeakPolarHBondContact CG-OG 3.26Å; Q82-S91 PolarHBondContact NE2-OG 3.19Å |
| 92 | F | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.7 | 169.8 | -64.6 | -105.7 | 0 | 0 | 0 | 108.3 | L19 A21 I22 V80 V81 F83 V90 I103 L106 E107 L110 F114 | L19-F92 HydrophobicContact CD1-CB 4Å; L19-F92 HydrophobicContact CD1-CD1 3.98Å; L19-F92 HydrophobicContact CD2-CD1 4.14Å; A21-F92 WeakPolarHBondContact O-CA 3.39Å; I22-F92 HydrophobicContact CD1-CD1 4.2Å; I22-F92 HydrophobicContact CD1-CE1 3.77Å; I22-F92 HydrophobicContact CG1-CD1 3.71Å; I22-F92 HydrophobicContact CG1-CE1 3.74Å; I22-F92 HydrophobicContact CG2-CE1 4.24Å; I22-F92 HydrophobicContact CG2-CZ 4.36Å; V80-F92 WeakPolarHBondContact CA-O 3.32Å; V81-F92 HydrophobicContact CB-CB 4.3Å; V81-F92 PolarHBondContact N-O 3.42Å; V81-F92 PolarHBondContact O-N 2.88Å; F83-F92 AromaticContact CD2-CD2 3.96Å; F83-F92 HydrophobicContact CD2-CD2 3.96Å; F83-F92 HydrophobicContact CD2-CE2 4Å; F83-F92 AromaticContact CE2-CD2 3.63Å; F83-F92 HydrophobicContact CE2-CD2 3.63Å; F83-F92 AromaticContact CE2-CE2 3.81Å; F83-F92 HydrophobicContact CE2-CE2 3.81Å; V90-F92 HydrophobicContact CG1-CD2 4.18Å; V90-F92 HydrophobicContact CG1-CE2 3.51Å; V90-F92 HydrophobicContact CG1-CZ 4.19Å; F92-I103 HydrophobicContact CB-CG2 3.47Å; F92-I103 VanDerWaalsContact CB-CG2 3.47Å; F92-I103 HydrophobicContact CD1-CG2 3.84Å; F92-I103 HydrophobicContact CD2-CG2 4.14Å; F92-I103 HydrophobicContact CG-CG2 3.56Å; F92-L106 HydrophobicContact CD1-CD2 4.43Å; F92-L106 HydrophobicContact CE1-CD2 3.85Å; F92-L106 HydrophobicContact CE1-CG 4.11Å; F92-E107 HydrophobicContact CE2-CB 3.71Å; F92-E107 HydrophobicContact CE2-CG 3.74Å; F92-E107 HydrophobicContact CZ-CB 3.88Å; F92-E107 HydrophobicContact CZ-CG 4.19Å; F92-L110 HydrophobicContact CE1-CD1 4.41Å; F92-L110 HydrophobicContact CZ-CD1 4.29Å; F92-F114 HydrophobicContact CZ-CE2 4.32Å; F92-F114 HydrophobicContact CZ-CZ 4.44Å |
| 93 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.7 | 178.1 | -59 | 159.4 | 0 | 0 | 0 | 107.3 | H20 A21 V23 P41 A44 L45 Y78 V80 | H20-I93 WeakPolarHBondContact CA-O 3.44Å; H20-I93 WeakPolarHBondContact CB-O 3.47Å; H20-I93 PolarHBondContact N-O 2.79Å; A21-I93 HydrophobicContact CB-CB 4.19Å; A21-I93 HydrophobicContact CB-CD1 4.28Å; A21-I93 PolarHBondContact N-O 2.97Å; A21-I93 PolarHBondContact O-N 3.03Å; V23-I93 HydrophobicContact CG2-CD1 4.49Å; P41-I93 HydrophobicContact CG-CG2 3.71Å; A44-I93 HydrophobicContact CB-CD1 3.93Å; A44-I93 HydrophobicContact CB-CG1 4.43Å; A44-I93 HydrophobicContact CB-CG2 4.34Å; L45-I93 HydrophobicContact CD2-CD1 3.37Å; L45-I93 HydrophobicContact CG-CD1 4.08Å; Y78-I93 HydrophobicContact CD2-CG2 4.24Å; V80-I93 HydrophobicContact CG1-CG1 4.43Å; V80-I93 HydrophobicContact CG2-CG1 4.25Å |
| 94 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 167.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G18 L19 Y78 Q79 A98 I103 | G18-A94 CarbonylContact O-C 3.58Å; G18-A94 WeakPolarHBondContact O-CA 3.24Å; G18-A94 VanDerWaalsContact O-CB 3.29Å; G18-A94 WeakPolarHBondContact O-CB 3.25Å; L19-A94 HydrophobicContact CD1-CB 4.14Å; Y78-A94 CarbonylContact C-O 3.53Å; Y78-A94 WeakPolarHBondContact CA-O 3.36Å; Y78-A94 VanDerWaalsContact CB-O 3.25Å; Y78-A94 WeakPolarHBondContact CB-O 3.3Å; Q79-A94 HydrophobicContact CG-CB 3.98Å; Q79-A94 PolarHBondContact N-O 3.43Å; Q79-A94 PolarHBondContact O-N 2.68Å; A94-A98 HydrophobicContact CB-CB 3.66Å; A94-I103 HydrophobicContact CB-CD1 3.62Å |
| 95 | S | 98.7 | Very high | 97.6 | Very high | 24 Ų | 24 | 32 Ų | 32 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 149.3 | 168.6 | 174 | 0 | 0 | 0 | 0 | 110.8 | G18 H20 Q79 S97 A98 | G18-S95 PolarHBondContact O-N 2.76Å; H20-S95 PolarHBondContact CD2-N 3.25Å; H20-S95 PolarHBondContact NE2-N 3.17Å; Q79-S95 PolarHBondContact NE2-O 3.16Å; S95-S97 PolarHBondContact O-N 3.32Å; S95-S97 VanDerWaalsContact O-N 3.16Å; S95-S97 PolarHBondContact OG-N 3.32Å; S95-S97 PolarHBondContact OG-OG 2.78Å; S95-A98 VanDerWaalsContact O-CB 3.3Å; S95-A98 WeakPolarHBondContact O-CB 3.31Å; S95-A98 PolarHBondContact O-N 3.47Å |
| 96 | S | 98.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 28.6 Ų | 28.6 | 29% | 0.287 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.8 | 174 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | Y75 N76 T77 | Y75-S96 WeakPolarHBondContact O-CB 3.45Å; N76-S96 PolarHBondContact O-OG 2.8Å; T77-S96 PolarHBondContact O-N 2.93Å; T77-S96 VanDerWaalsContact O-N 3.17Å |
| 97 | S | 98 | Very high | 98.2 | Very high | 105 Ų | 105 | 26.6 Ų | 26.6 | 73% | 0.734 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.8 | 174.7 | 61.5 | 0 | 0 | 0 | 0 | 115 | S95 | S95-S97 PolarHBondContact O-N 3.32Å; S95-S97 VanDerWaalsContact O-N 3.16Å; S95-S97 PolarHBondContact OG-N 3.32Å; S95-S97 PolarHBondContact OG-OG 2.78Å |
| 98 | A | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -64.8 | 145.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E17 Q79 A94 S95 T100 I103 | E17-A98 VanDerWaalsContact O-CB 3.32Å; E17-A98 WeakPolarHBondContact O-CB 3.43Å; Q79-A98 PolarHBondContact NE2-O 2.97Å; A94-A98 HydrophobicContact CB-CB 3.66Å; S95-A98 VanDerWaalsContact O-CB 3.3Å; S95-A98 WeakPolarHBondContact O-CB 3.31Å; S95-A98 PolarHBondContact O-N 3.47Å; A98-T100 PolarHBondContact O-N 2.86Å; A98-I103 HydrophobicContact CB-CD1 4.5Å |
| 99 | N | 98.7 | Very high | 98.6 | Very high | 93 Ų | 93 | 37.5 Ų | 37.5 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | trans | -73.5 | 105.4 | -179.5 | -173.3 | -45.1 | 0 | 0 | 0 | 111 | G101 L102 I103 | N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 2.89Å; N99-G101 WeakPolarHBondContact OD1-CA 3.47Å; N99-G101 PolarHBondContact OD1-N 3.27Å; N99-L102 HydrophobicContact CB-CB 4.24Å; N99-L102 HydrophobicContact CB-CD1 3.93Å; N99-L102 HydrophobicContact CB-CG 3.93Å; N99-L102 WeakPolarHBondContact O-CB 3.37Å; N99-L102 PolarHBondContact O-N 3.4Å; N99-L102 VanDerWaalsContact O-N 3.09Å; N99-L102 PolarHBondContact OD1-N 3.21Å; N99-L102 VanDerWaalsContact OD1-N 3.1Å; N99-I103 PolarHBondContact O-N 3.42Å | ||
| 100 | T | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -34 | 179.7 | -47.4 | 0 | 0 | 0 | 0 | 113.2 | I72 Y74 Q79 V81 A98 L102 I103 V104 | I72-T100 HydrophobicContact CD1-CG2 3.75Å; I72-T100 HydrophobicContact CG2-CG2 4.14Å; Y74-T100 PolarHBondContact OH-OG1 3.42Å; Q79-T100 PolarHBondContact OE1-OG1 3.47Å; V81-T100 HydrophobicContact CG2-CG2 4.07Å; A98-T100 PolarHBondContact O-N 2.86Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 3.34Å; T100-I103 WeakPolarHBondContact O-CB 3.37Å; T100-I103 PolarHBondContact O-N 2.88Å; T100-V104 WeakPolarHBondContact O-CG2 3.37Å; T100-V104 PolarHBondContact O-N 3.16Å |
| 101 | G | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 39 Ų | 39 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.9 | -34.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N99 S105 | N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 2.89Å; N99-G101 WeakPolarHBondContact OD1-CA 3.47Å; N99-G101 PolarHBondContact OD1-N 3.27Å; G101-S105 WeakPolarHBondContact O-CB 3.4Å; G101-S105 PolarHBondContact O-N 2.83Å; G101-S105 PolarHBondContact O-OG 2.96Å |
| 102 | L | 98.8 | Very high | 98.4 | Very high | 87 Ų | 87 | 43 Ų | 43 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.5 | -38 | 172.5 | -64.2 | -177.3 | 0 | 0 | 0 | 111.6 | V16 N99 T100 V104 S105 L106 | V16-L102 HydrophobicContact CG1-CB 4.04Å; V16-L102 HydrophobicContact CG2-CB 3.93Å; N99-L102 HydrophobicContact CB-CB 4.24Å; N99-L102 HydrophobicContact CB-CD1 3.93Å; N99-L102 HydrophobicContact CB-CG 3.93Å; N99-L102 WeakPolarHBondContact O-CB 3.37Å; N99-L102 PolarHBondContact O-N 3.4Å; N99-L102 VanDerWaalsContact O-N 3.09Å; N99-L102 PolarHBondContact OD1-N 3.21Å; N99-L102 VanDerWaalsContact OD1-N 3.1Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 3.34Å; L102-V104 VanDerWaalsContact C-N 3.35Å; L102-V104 PolarHBondContact O-N 3.14Å; L102-S105 PolarHBondContact O-N 3.28Å; L102-L106 WeakPolarHBondContact O-CB 3.48Å; L102-L106 PolarHBondContact O-N 3.42Å |
| 103 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 173.9 | -59.8 | 174.7 | 0 | 0 | 0 | 110.8 | V16 Q79 V81 F92 A94 A98 N99 T100 S105 L106 E107 | V16-I103 HydrophobicContact CG1-CG1 3.9Å; Q79-I103 HydrophobicContact CG-CD1 4.45Å; V81-I103 HydrophobicContact CB-CG2 3.93Å; V81-I103 HydrophobicContact CG1-CG2 4.13Å; V81-I103 HydrophobicContact CG2-CB 4.42Å; V81-I103 HydrophobicContact CG2-CD1 3.98Å; V81-I103 HydrophobicContact CG2-CG2 3.92Å; F92-I103 HydrophobicContact CB-CG2 3.47Å; F92-I103 VanDerWaalsContact CB-CG2 3.47Å; F92-I103 HydrophobicContact CD1-CG2 3.84Å; F92-I103 HydrophobicContact CD2-CG2 4.14Å; F92-I103 HydrophobicContact CG-CG2 3.56Å; A94-I103 HydrophobicContact CB-CD1 3.62Å; A98-I103 HydrophobicContact CB-CD1 4.5Å; N99-I103 PolarHBondContact O-N 3.42Å; T100-I103 WeakPolarHBondContact O-CB 3.37Å; T100-I103 PolarHBondContact O-N 2.88Å; I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 3.37Å; I103-L106 PolarHBondContact O-N 3.36Å; I103-E107 PolarHBondContact O-N 3.11Å |
| 104 | V | 98.8 | Very high | 98 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 22% | 0.218 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | V81 F83 T100 L102 E107 K108 | V81-V104 HydrophobicContact CG1-CG2 4.44Å; F83-V104 HydrophobicContact CE1-CG2 4.33Å; F83-V104 HydrophobicContact CZ-CB 4.46Å; F83-V104 HydrophobicContact CZ-CG2 4Å; T100-V104 WeakPolarHBondContact O-CG2 3.37Å; T100-V104 PolarHBondContact O-N 3.16Å; L102-V104 VanDerWaalsContact C-N 3.35Å; L102-V104 PolarHBondContact O-N 3.14Å; V104-E107 PolarHBondContact O-N 2.89Å; V104-K108 WeakPolarHBondContact O-CG 3.18Å; V104-K108 PolarHBondContact O-N 3Å |
| 105 | S | 98.7 | Very high | 97.8 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 47% | 0.469 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 175 | -59 | 0 | 0 | 0 | 0 | 111.8 | G101 L102 I103 K108 E109 | G101-S105 WeakPolarHBondContact O-CB 3.4Å; G101-S105 PolarHBondContact O-N 2.83Å; G101-S105 PolarHBondContact O-OG 2.96Å; L102-S105 PolarHBondContact O-N 3.28Å; I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 3.37Å; S105-K108 WeakPolarHBondContact O-CB 3.32Å; S105-K108 PolarHBondContact O-N 2.89Å; S105-E109 PolarHBondContact O-N 3.4Å |
| 106 | L | 98.7 | Very high | 97.4 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.4 | 178.6 | 62.5 | 0 | 0 | 0 | 111.7 | K12 V16 L19 F92 L102 I103 K108 E109 L110 | K12-L106 HydrophobicContact CD-CD1 4.22Å; V16-L106 HydrophobicContact CG2-CB 4.39Å; V16-L106 HydrophobicContact CG2-CD2 4.09Å; L19-L106 HydrophobicContact CD2-CD2 3.65Å; F92-L106 HydrophobicContact CD1-CD2 4.43Å; F92-L106 HydrophobicContact CE1-CD2 3.85Å; F92-L106 HydrophobicContact CE1-CG 4.11Å; L102-L106 WeakPolarHBondContact O-CB 3.48Å; L102-L106 PolarHBondContact O-N 3.42Å; I103-L106 PolarHBondContact O-N 3.36Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.03Å; L106-E109 WeakPolarHBondContact O-CB 3.32Å; L106-E109 PolarHBondContact O-N 2.95Å; L106-L110 HydrophobicContact CD1-CD1 3.95Å; L106-L110 HydrophobicContact CD1-CG 4.12Å; L106-L110 HydrophobicContact CG-CD1 3.94Å; L106-L110 HydrophobicContact CG-CG 4.46Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.31Å; L106-L110 PolarHBondContact O-N 3.27Å |
| 107 | E | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 175.1 | -170 | -87.6 | 165 | 0 | 0 | 111.9 | F83 R85 F92 I103 V104 E109 L110 A111 F114 | F83-E107 HydrophobicContact CB-CG 4.34Å; F83-E107 HydrophobicContact CD1-CB 4.39Å; F83-E107 HydrophobicContact CD1-CG 3.83Å; F83-E107 HydrophobicContact CD2-CB 4.16Å; F83-E107 HydrophobicContact CD2-CG 3.59Å; F83-E107 HydrophobicContact CE1-CB 3.97Å; F83-E107 HydrophobicContact CE1-CG 3.93Å; F83-E107 HydrophobicContact CE2-CB 3.69Å; F83-E107 HydrophobicContact CE2-CG 3.68Å; F83-E107 HydrophobicContact CG-CB 4.47Å; F83-E107 HydrophobicContact CG-CG 3.65Å; F83-E107 HydrophobicContact CZ-CB 3.59Å; F83-E107 HydrophobicContact CZ-CG 3.86Å; R85-E107 IonicContact CZ-OE1 3.52Å; R85-E107 IonicContact NE-OE1 2.8Å; R85-E107 PolarHBondContact NE-OE1 2.96Å; R85-E107 VanDerWaalsContact NH2-CD 3.32Å; R85-E107 IonicContact NH2-OE1 3.56Å; R85-E107 PolarHBondContact NH2-OE1 3.26Å; R85-E107 IonicContact NH2-OE2 2.84Å; R85-E107 PolarHBondContact NH2-OE2 2.99Å; R85-E107 VanDerWaalsContact NH2-OE2 3.16Å; F92-E107 HydrophobicContact CE2-CB 3.71Å; F92-E107 HydrophobicContact CE2-CG 3.74Å; F92-E107 HydrophobicContact CZ-CB 3.88Å; F92-E107 HydrophobicContact CZ-CG 4.19Å; I103-E107 PolarHBondContact O-N 3.11Å; V104-E107 PolarHBondContact O-N 2.89Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E107-E109 PolarHBondContact O-N 3.39Å; E107-L110 CarbonylContact O-C 3.5Å; E107-L110 PolarHBondContact O-N 2.79Å; E107-A111 PolarHBondContact O-N 3.03Å; E107-F114 HydrophobicContact CG-CE2 4.41Å |
| 108 | K | 98.1 | Very high | 96.7 | Very high | 141 Ų | 141 | 50.2 Ų | 50.2 | 61% | 0.613 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.1 | -39.8 | 176 | -70.6 | 171.4 | -177.9 | 176.4 | 0 | 112.3 | V104 S105 L106 L110 A111 | V104-K108 WeakPolarHBondContact O-CG 3.18Å; V104-K108 PolarHBondContact O-N 3Å; S105-K108 WeakPolarHBondContact O-CB 3.32Å; S105-K108 PolarHBondContact O-N 2.89Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.03Å; K108-L110 VanDerWaalsContact C-N 3.3Å; K108-A111 WeakPolarHBondContact O-CB 3.42Å; K108-A111 PolarHBondContact O-N 3.22Å |
| 109 | E | 98.3 | Very high | 96.1 | Very high | 116 Ų | 116 | 55 Ų | 55 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 174.4 | -172.9 | -166.4 | 141.6 | 0 | 0 | 111.3 | K12 S105 L106 E107 A111 P112 | K12-E109 IonicContact NZ-OE1 3.16Å; K12-E109 PolarHBondContact NZ-OE1 3.28Å; S105-E109 PolarHBondContact O-N 3.4Å; L106-E109 WeakPolarHBondContact O-CB 3.32Å; L106-E109 PolarHBondContact O-N 2.95Å; E107-E109 VanDerWaalsContact C-N 3.34Å; E107-E109 PolarHBondContact O-N 3.39Å; E109-A111 VanDerWaalsContact C-N 3.35Å; E109-P112 WeakPolarHBondContact O-CD 3.42Å |
| 110 | L | 98 | Very high | 95.4 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -84.9 | -4.2 | -179 | -62.9 | 175.9 | 0 | 0 | 0 | 113.7 | F8 L9 K12 I22 F92 L106 E107 K108 P112 L113 F114 | F8-L110 HydrophobicContact CE1-CD2 3.7Å; F8-L110 HydrophobicContact CZ-CD2 4.17Å; L9-L110 HydrophobicContact CD2-CD1 4.01Å; L9-L110 HydrophobicContact CD2-CD2 4.35Å; K12-L110 HydrophobicContact CG-CD2 4.47Å; I22-L110 HydrophobicContact CD1-CD1 4.38Å; F92-L110 HydrophobicContact CE1-CD1 4.41Å; F92-L110 HydrophobicContact CZ-CD1 4.29Å; L106-L110 HydrophobicContact CD1-CD1 3.95Å; L106-L110 HydrophobicContact CD1-CG 4.12Å; L106-L110 HydrophobicContact CG-CD1 3.94Å; L106-L110 HydrophobicContact CG-CG 4.46Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.31Å; L106-L110 PolarHBondContact O-N 3.27Å; E107-L110 CarbonylContact O-C 3.5Å; E107-L110 PolarHBondContact O-N 2.79Å; K108-L110 VanDerWaalsContact C-N 3.3Å; L110-P112 VanDerWaalsContact C-CD 3.49Å; L110-L113 HydrophobicContact CD2-CD2 4.26Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.3Å; L110-L113 VanDerWaalsContact O-N 3.14Å; L110-F114 HydrophobicContact CB-CD2 4.01Å; L110-F114 HydrophobicContact CB-CE2 3.38Å; L110-F114 HydrophobicContact CB-CZ 3.78Å; L110-F114 HydrophobicContact CD1-CE2 4.23Å; L110-F114 HydrophobicContact CD1-CZ 3.99Å; L110-F114 HydrophobicContact CG-CE2 4.46Å; L110-F114 VanDerWaalsContact O-CD2 3.31Å; L110-F114 WeakPolarHBondContact O-CD2 3.44Å; L110-F114 PolarHBondContact O-N 3.44Å; L110-F114 VanDerWaalsContact O-N 3.11Å |
| 111 | A | 96.9 | Very high | 94.5 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.6 | -41.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E107 K108 E109 L113 F114 E115 | E107-A111 PolarHBondContact O-N 3.03Å; K108-A111 WeakPolarHBondContact O-CB 3.42Å; K108-A111 PolarHBondContact O-N 3.22Å; E109-A111 VanDerWaalsContact C-N 3.35Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 2.84Å; A111-F114 PolarHBondContact O-N 3.5Å; A111-E115 PolarHBondContact O-N 3.14Å |
| 112 | P | 95.9 | Very high | 93.3 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -58.6 | -42.2 | 176.4 | -24.6 | 35.4 | 0 | 0 | 0 | 112.6 | E109 L110 F114 E115 E116 | E109-P112 WeakPolarHBondContact O-CD 3.42Å; L110-P112 VanDerWaalsContact C-CD 3.49Å; P112-F114 PolarHBondContact O-N 3Å; P112-E115 PolarHBondContact O-N 3.13Å; P112-E116 PolarHBondContact O-N 3.46Å |
| 113 | L | 94.7 | Very high | 91.6 | Very high | 35 Ų | 35 | 61.5 Ų | 61.5 | 18% | 0.183 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 177.2 | 165.4 | 68.7 | 0 | 0 | 0 | 112 | L5 F8 L9 L110 A111 E115 E116 L117 | L5-L113 HydrophobicContact CD1-CD1 3.53Å; L5-L113 HydrophobicContact CD1-CD2 3.6Å; L5-L113 HydrophobicContact CD1-CG 4.03Å; L5-L113 HydrophobicContact CD2-CD1 4.16Å; F8-L113 HydrophobicContact CD1-CD2 4.16Å; F8-L113 HydrophobicContact CE1-CD2 3.92Å; L9-L113 HydrophobicContact CD2-CD2 4.04Å; L110-L113 HydrophobicContact CD2-CD2 4.26Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.3Å; L110-L113 VanDerWaalsContact O-N 3.14Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 2.84Å; L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E116 PolarHBondContact O-N 3.03Å; L113-L117 WeakPolarHBondContact O-CG 3.37Å; L113-L117 PolarHBondContact O-N 3.25Å; L113-L117 VanDerWaalsContact O-N 3.14Å |
| 114 | F | 94.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.009 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.2 | -30 | 177.3 | -60.7 | -44.1 | 0 | 0 | 0 | 112.6 | I22 V24 V90 F92 E107 L110 A111 P112 L117 R118 | I22-F114 HydrophobicContact CG2-CZ 4.37Å; V24-F114 HydrophobicContact CG2-CD1 3.85Å; V24-F114 HydrophobicContact CG2-CE1 3.58Å; V90-F114 HydrophobicContact CB-CE2 4.48Å; V90-F114 HydrophobicContact CG1-CD2 4.08Å; V90-F114 HydrophobicContact CG1-CE1 4.13Å; V90-F114 HydrophobicContact CG1-CE2 3.56Å; V90-F114 HydrophobicContact CG1-CZ 3.6Å; V90-F114 HydrophobicContact CG2-CB 4.23Å; V90-F114 HydrophobicContact CG2-CD1 4.08Å; V90-F114 HydrophobicContact CG2-CD2 3.89Å; V90-F114 HydrophobicContact CG2-CE1 4.42Å; V90-F114 HydrophobicContact CG2-CE2 4.23Å; V90-F114 HydrophobicContact CG2-CG 3.81Å; V90-F114 HydrophobicContact CG2-CZ 4.49Å; F92-F114 HydrophobicContact CZ-CE2 4.32Å; F92-F114 HydrophobicContact CZ-CZ 4.44Å; E107-F114 HydrophobicContact CG-CE2 4.41Å; L110-F114 HydrophobicContact CB-CD2 4.01Å; L110-F114 HydrophobicContact CB-CE2 3.38Å; L110-F114 HydrophobicContact CB-CZ 3.78Å; L110-F114 HydrophobicContact CD1-CE2 4.23Å; L110-F114 HydrophobicContact CD1-CZ 3.99Å; L110-F114 HydrophobicContact CG-CE2 4.46Å; L110-F114 VanDerWaalsContact O-CD2 3.31Å; L110-F114 WeakPolarHBondContact O-CD2 3.44Å; L110-F114 PolarHBondContact O-N 3.44Å; L110-F114 VanDerWaalsContact O-N 3.11Å; A111-F114 PolarHBondContact O-N 3.5Å; P112-F114 PolarHBondContact O-N 3Å; F114-L117 HydrophobicContact CD1-CD1 4.21Å; F114-R118 WeakPolarHBondContact O-CB 3.5Å; F114-R118 PolarHBondContact O-N 3Å |
| 115 | E | 94.1 | Very high | 89 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 33% | 0.332 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 174.5 | -168.4 | 60.7 | -154.9 | 0 | 0 | 111.7 | A111 P112 L113 L117 R118 Q119 | A111-E115 PolarHBondContact O-N 3.14Å; P112-E115 PolarHBondContact O-N 3.13Å; L113-E115 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 3.49Å; E115-R118 WeakPolarHBondContact O-CB 3.29Å; E115-R118 PolarHBondContact O-N 2.8Å; E115-R118 IonicContact OE1-NH1 2.68Å; E115-R118 IonicContact OE2-NH1 2.62Å; E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.35Å |
| 116 | E | 91.7 | Very high | 88.5 | Confident | 123 Ų | 123 | 70.7 Ų | 70.7 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.5 | -46.7 | 171.6 | -72.3 | 176.4 | -168.3 | 0 | 0 | 111.5 | P112 L113 R118 Q119 V120 | P112-E116 PolarHBondContact O-N 3.46Å; L113-E116 PolarHBondContact O-N 3.03Å; E116-R118 VanDerWaalsContact C-N 3.28Å; E116-R118 PolarHBondContact O-N 2.98Å; E116-Q119 PolarHBondContact O-N 3.29Å; E116-V120 PolarHBondContact O-N 3.06Å |
| 117 | L | 90.8 | Very high | 88 | Confident | 28 Ų | 28 | 74.3 Ų | 74.3 | 15% | 0.147 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 175.8 | -74.4 | 174.4 | 0 | 0 | 0 | 112.4 | L5 I33 L88 L113 F114 E115 V120 V121 | L5-L117 HydrophobicContact CD2-CD1 4.07Å; L5-L117 HydrophobicContact CD2-CD2 3.78Å; L5-L117 HydrophobicContact CD2-CG 4.25Å; I33-L117 HydrophobicContact CD1-CD1 3.68Å; I33-L117 HydrophobicContact CD1-CD2 3.94Å; I33-L117 HydrophobicContact CD1-CG 4.48Å; L88-L117 HydrophobicContact CD1-CB 4.1Å; L113-L117 WeakPolarHBondContact O-CG 3.37Å; L113-L117 PolarHBondContact O-N 3.25Å; L113-L117 VanDerWaalsContact O-N 3.14Å; F114-L117 HydrophobicContact CD1-CD1 4.21Å; E115-L117 PolarHBondContact O-N 3.49Å; L117-V120 PolarHBondContact O-N 3.36Å; L117-V121 PolarHBondContact O-N 3.23Å |
| 118 | R | 89.4 | Confident | 87.3 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 24% | 0.238 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 179.6 | -176.9 | -178.5 | 165.5 | -150.1 | -8.9 | 111.6 | L86 L88 F114 E115 E116 V120 V121 E122 | L86-R118 PolarHBondContact O-NE 3.17Å; L88-R118 HydrophobicContact CD1-CB 4.12Å; F114-R118 WeakPolarHBondContact O-CB 3.5Å; F114-R118 PolarHBondContact O-N 3Å; E115-R118 WeakPolarHBondContact O-CB 3.29Å; E115-R118 PolarHBondContact O-N 2.8Å; E115-R118 IonicContact OE1-NH1 2.68Å; E115-R118 IonicContact OE2-NH1 2.62Å; E116-R118 VanDerWaalsContact C-N 3.28Å; E116-R118 PolarHBondContact O-N 2.98Å; R118-V120 VanDerWaalsContact C-N 3.3Å; R118-V120 PolarHBondContact O-N 3.15Å; R118-V121 PolarHBondContact O-N 3.39Å; R118-V121 VanDerWaalsContact O-N 3.15Å; R118-E122 HydrophobicContact CG-CG 4.45Å; R118-E122 IonicContact CZ-OE1 2.68Å; R118-E122 VanDerWaalsContact CZ-OE1 3.23Å; R118-E122 IonicContact NE-OE1 2.97Å; R118-E122 PolarHBondContact NE-OE1 3.41Å; R118-E122 IonicContact NH2-OE1 3.23Å; R118-E122 PolarHBondContact NH2-OE1 3.35Å; R118-E122 PolarHBondContact O-N 3.35Å |
| 119 | Q | 87.6 | Confident | 86.7 | Confident | 109 Ų | 109 | 74.5 Ų | 74.5 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 178.2 | -70.5 | 173.5 | 9.9 | 0 | 0 | 112.4 | E115 E116 V121 E122 V123 | E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.35Å; E116-Q119 PolarHBondContact O-N 3.29Å; Q119-V121 VanDerWaalsContact C-N 3.29Å; Q119-V121 PolarHBondContact O-N 2.75Å; Q119-E122 PolarHBondContact O-N 3.47Å; Q119-V123 VanDerWaalsContact O-CG2 3.26Å; Q119-V123 WeakPolarHBondContact O-CG2 3.26Å; Q119-V123 PolarHBondContact O-N 3.03Å |
| 120 | V | 83.7 | Confident | 85.9 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.5 | -37.2 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | E116 L117 R118 S124 | E116-V120 PolarHBondContact O-N 3.06Å; L117-V120 PolarHBondContact O-N 3.36Å; R118-V120 VanDerWaalsContact C-N 3.3Å; R118-V120 PolarHBondContact O-N 3.15Å; V120-S124 PolarHBondContact O-OG 3.4Å |
| 121 | V | 80 | Confident | 85 | Confident | 52 Ų | 52 | 76.5 Ų | 76.5 | 32% | 0.315 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -76.8 | -33.3 | 180 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | P87 L88 L117 R118 Q119 V123 S124 | P87-V121 HydrophobicContact CG-CG1 4.31Å; L88-V121 HydrophobicContact CD1-CG2 4.49Å; L88-V121 HydrophobicContact CD2-CG2 4.26Å; L117-V121 PolarHBondContact O-N 3.23Å; R118-V121 PolarHBondContact O-N 3.39Å; R118-V121 VanDerWaalsContact O-N 3.15Å; Q119-V121 VanDerWaalsContact C-N 3.29Å; Q119-V121 PolarHBondContact O-N 2.75Å; V121-V123 VanDerWaalsContact C-N 3.3Å; V121-V123 PolarHBondContact O-N 3.47Å; V121-S124 PolarHBondContact O-N 3.28Å |
| 122 | E | 73.7 | Confident | 84.1 | Confident | 101 Ų | 101 | 80.4 Ų | 80.4 | 47% | 0.472 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.2 | -21.5 | 177.2 | -73.9 | -176.4 | 179.2 | 0 | 0 | 113.6 | P87 R118 Q119 | P87-E122 VanDerWaalsContact CD-OE1 3.29Å; P87-E122 WeakPolarHBondContact CD-OE1 3.42Å; P87-E122 HydrophobicContact CG-CG 3.88Å; R118-E122 HydrophobicContact CG-CG 4.45Å; R118-E122 IonicContact CZ-OE1 2.68Å; R118-E122 VanDerWaalsContact CZ-OE1 3.23Å; R118-E122 IonicContact NE-OE1 2.97Å; R118-E122 PolarHBondContact NE-OE1 3.41Å; R118-E122 IonicContact NH2-OE1 3.23Å; R118-E122 PolarHBondContact NH2-OE1 3.35Å; R118-E122 PolarHBondContact O-N 3.35Å; Q119-E122 PolarHBondContact O-N 3.47Å |
| 123 | V | 62.5 | Low | 83.1 | Confident | 129 Ų | 129 | 80 Ų | 80 | 78% | 0.782 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.6 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 112.6 | Q119 V121 | Q119-V123 VanDerWaalsContact O-CG2 3.26Å; Q119-V123 WeakPolarHBondContact O-CG2 3.26Å; Q119-V123 PolarHBondContact O-N 3.03Å; V121-V123 VanDerWaalsContact C-N 3.3Å; V121-V123 PolarHBondContact O-N 3.47Å |
| 124 | S | 54.6 | Low | 82.1 | Confident | 155 Ų | 155 | 84.1 Ų | 84.1 | 100% | 1.084 | 46% | 0.456 | S | S | * | . | trans | -95.2 | 0 | -178.8 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | V120 V121 | V120-S124 PolarHBondContact O-OG 3.4Å; V121-S124 PolarHBondContact O-N 3.28Å |
Retrieved 124 of 124 residues in 29.3 ms
(Link to these results)