| 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 | 91.5 | Very high | 93.6 | Very high | 59 Ų | 59 | 75.7 Ų | 75.7 | 29% | 0.291 | 41% | 0.406 | S | S | . | . | 0 | 152 | 0 | -67.6 | -178 | 73.7 | 0 | 0 | 108.7 | F42 V43 V51 V53 M86 I87 S90 I91 | M1-F42 HydrophobicContact CB-CB 3.93Å; M1-F42 HydrophobicContact CE-CB 4.01Å; M1-F42 WeakPolarHBondContact CE-O 3.28Å; M1-F42 HydrophobicContact SD-CB 4.32Å; M1-V43 CarbonylContact C-O 3.6Å; M1-V43 WeakPolarHBondContact CA-O 3.38Å; M1-V43 WeakPolarHBondContact CB-O 3.07Å; M1-V51 HydrophobicContact CE-CG1 4.19Å; M1-V53 HydrophobicContact CE-CB 4.08Å; M1-V53 HydrophobicContact CE-CG2 3.78Å; M1-V53 HydrophobicContact SD-CB 4.37Å; M1-V53 HydrophobicContact SD-CG2 3.98Å; M1-M86 HydrophobicContact CE-CE 4.42Å; M1-M86 HydrophobicContact CG-CE 4.05Å; M1-M86 HydrophobicContact CG-CG 4.27Å; M1-M86 HydrophobicContact CG-SD 4.26Å; M1-M86 HydrophobicContact SD-CE 4.18Å; M1-I87 HydrophobicContact SD-CG1 4.04Å; M1-S90 WeakPolarHBondContact CG-OG 3.47Å; M1-I91 HydrophobicContact SD-CG1 3.97Å | |||
| 2 | H | 93.9 | Very high | 93.7 | Very high | 91 Ų | 91 | 69.4 Ų | 69.4 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.3 | 177.5 | 175 | 66.3 | 0 | 0 | 0 | 110 | F42 V43 | H2-F42 CarbonylContact O-C 3.56Å; H2-F42 VanDerWaalsContact O-CA 3.26Å; H2-F42 WeakPolarHBondContact O-CA 3.39Å; H2-V43 HydrophobicContact CB-CG2 4.11Å; H2-V43 PolarHBondContact N-O 3.02Å; H2-V43 PolarHBondContact O-N 3.23Å |
| 3 | L | 96 | Very high | 93.8 | Very high | 75 Ų | 75 | 66.7 Ų | 66.7 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.8 | 173.9 | 176.7 | 64.3 | 0 | 0 | 0 | 108.9 | E40 F42 | L3-E40 HydrophobicContact CD1-CB 4.1Å; L3-F42 HydrophobicContact CB-CD1 4.14Å; L3-F42 HydrophobicContact CB-CE1 4.07Å; L3-F42 HydrophobicContact CD1-CD1 4.17Å; L3-F42 HydrophobicContact CD1-CE1 3.87Å; L3-F42 HydrophobicContact CD1-CE2 4.38Å; L3-F42 HydrophobicContact CD1-CZ 3.99Å; L3-F42 HydrophobicContact CG-CE1 4.45Å |
| 4 | L | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 142 | 176.2 | -63.6 | -174.9 | 0 | 0 | 0 | 111.7 | E8 Y9 L12 I41 V43 W46 | L4-E8 WeakPolarHBondContact CA-OE2 3.35Å; L4-E8 HydrophobicContact CB-CB 4.45Å; L4-E8 WeakPolarHBondContact CD2-OE2 3.35Å; L4-Y9 HydrophobicContact CB-CD1 4.36Å; L4-Y9 HydrophobicContact CB-CE1 3.96Å; L4-L12 HydrophobicContact CD1-CB 4.49Å; L4-L12 HydrophobicContact CD1-CD2 3.96Å; L4-I41 HydrophobicContact CB-CB 4.41Å; L4-I41 HydrophobicContact CD1-CG2 3.95Å; L4-I41 HydrophobicContact CG-CG2 4.47Å; L4-I41 PolarHBondContact N-O 2.91Å; L4-V43 HydrophobicContact CD1-CG1 3.75Å; L4-V43 HydrophobicContact CD2-CG1 4.42Å; L4-V43 HydrophobicContact CD2-CG2 3.77Å; L4-V43 HydrophobicContact CG-CG1 4.02Å; L4-V43 HydrophobicContact CG-CG2 4.12Å; L4-W46 HydrophobicContact CD1-CE3 4.02Å; L4-W46 HydrophobicContact CD1-CH2 4.22Å; L4-W46 HydrophobicContact CD1-CZ3 3.82Å; L4-W46 HydrophobicContact CD2-CB 4.27Å; L4-W46 HydrophobicContact CD2-CD2 3.39Å; L4-W46 HydrophobicContact CD2-CE3 3.56Å; L4-W46 HydrophobicContact CD2-CG 3.72Å; L4-W46 HydrophobicContact CD2-CZ2 4.4Å; L4-W46 HydrophobicContact CD2-CZ3 4.13Å; L4-W46 HydrophobicContact CG-CE3 4.45Å |
| 5 | E | 93.8 | Very high | 94 | Very high | 127 Ų | 127 | 65.3 Ų | 65.3 | 59% | 0.593 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 150.4 | 168.6 | -63 | -64.8 | 161.6 | 0 | 0 | 110.5 | T7 E8 Y9 | E5-T7 PolarHBondContact O-N 2.87Å; E5-E8 HydrophobicContact CB-CG 4.34Å; E5-E8 PolarHBondContact N-OE2 3.01Å; E5-E8 VanDerWaalsContact O-CB 3.26Å; E5-E8 WeakPolarHBondContact O-CB 3.47Å; E5-E8 PolarHBondContact O-N 3.05Å; E5-Y9 WeakPolarHBondContact O-CD1 3.2Å; E5-Y9 WeakPolarHBondContact O-CE1 3.23Å |
| 6 | E | 90.3 | Very high | 94 | Very high | 142 Ų | 142 | 61.2 Ų | 61.2 | 66% | 0.664 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -57.9 | -28.3 | -178.3 | -69.9 | -167.4 | -176.8 | 0 | 0 | 113.4 | E8 Y9 | E6-E8 PolarHBondContact O-N 2.77Å; E6-E8 VanDerWaalsContact O-N 3.17Å; E6-Y9 HydrophobicContact CB-CE2 4.44Å; E6-Y9 HydrophobicContact CG-CE2 4.02Å; E6-Y9 PolarHBondContact O-N 3.46Å |
| 7 | T | 93 | Very high | 94 | Very high | 127 Ų | 127 | 62.6 Ų | 62.6 | 78% | 0.779 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -63.1 | -17.7 | 175.6 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | E5 | E5-T7 PolarHBondContact O-N 2.87Š|
| 8 | E | 94.7 | Very high | 94 | Very high | 43 Ų | 43 | 68.7 Ų | 68.7 | 20% | 0.201 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -93.8 | -15.3 | -176.7 | -60.9 | -178.7 | 125.4 | 0 | 0 | 112.6 | L4 E5 E6 P10 A11 L12 W46 | L4-E8 WeakPolarHBondContact CA-OE2 3.35Å; L4-E8 HydrophobicContact CB-CB 4.45Å; L4-E8 WeakPolarHBondContact CD2-OE2 3.35Å; E5-E8 HydrophobicContact CB-CG 4.34Å; E5-E8 PolarHBondContact N-OE2 3.01Å; E5-E8 VanDerWaalsContact O-CB 3.26Å; E5-E8 WeakPolarHBondContact O-CB 3.47Å; E5-E8 PolarHBondContact O-N 3.05Å; E6-E8 PolarHBondContact O-N 2.77Å; E6-E8 VanDerWaalsContact O-N 3.17Å; E8-P10 VanDerWaalsContact C-CD 3.49Å; E8-A11 WeakPolarHBondContact O-CB 3.34Å; E8-A11 PolarHBondContact O-N 2.81Å; E8-L12 PolarHBondContact O-N 3.17Å; E8-L12 VanDerWaalsContact O-N 3.14Å; E8-W46 HydrophobicContact CB-CH2 4.25Å; E8-W46 HydrophobicContact CB-CZ2 3.59Å; E8-W46 HydrophobicContact CG-CZ2 4.17Å; E8-W46 VanDerWaalsContact OE1-CD1 3.32Å; E8-W46 PolarHBondContact OE1-NE1 3.11Å |
| 9 | Y | 92.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 67.4 Ų | 67.4 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -37.4 | -175.7 | -64.5 | 6.8 | 0 | 0 | 0 | 113.4 | L4 E5 E6 A11 L12 R13 L39 I41 | L4-Y9 HydrophobicContact CB-CD1 4.36Å; L4-Y9 HydrophobicContact CB-CE1 3.96Å; E5-Y9 WeakPolarHBondContact O-CD1 3.2Å; E5-Y9 WeakPolarHBondContact O-CE1 3.23Å; E6-Y9 HydrophobicContact CB-CE2 4.44Å; E6-Y9 HydrophobicContact CG-CE2 4.02Å; E6-Y9 PolarHBondContact O-N 3.46Å; Y9-A11 VanDerWaalsContact C-N 3.3Å; Y9-A11 PolarHBondContact O-N 3.42Å; Y9-L12 PolarHBondContact O-N 2.79Å; Y9-R13 PolarHBondContact O-N 2.76Å; Y9-L39 PolarHBondContact OH-O 3.14Å; Y9-I41 HydrophobicContact CD1-CD1 3.83Å; Y9-I41 HydrophobicContact CD2-CD1 3.92Å; Y9-I41 HydrophobicContact CE1-CB 4.14Å; Y9-I41 HydrophobicContact CE1-CD1 3.61Å; Y9-I41 HydrophobicContact CE1-CG1 3.94Å; Y9-I41 HydrophobicContact CE2-CD1 3.67Å; Y9-I41 HydrophobicContact CE2-CG1 4.23Å; Y9-I41 HydrophobicContact CG-CD1 4Å |
| 10 | P | 93 | Very high | 94.1 | Very high | 84 Ų | 84 | 66.6 Ų | 66.6 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.2 | -37.9 | 173.5 | -25.2 | 36 | 0 | 0 | 0 | 113.1 | E8 R13 E14 | E8-P10 VanDerWaalsContact C-CD 3.49Å; P10-R13 WeakPolarHBondContact O-CB 3.25Å; P10-R13 PolarHBondContact O-N 2.97Å; P10-E14 PolarHBondContact O-N 3.09Å; P10-E14 VanDerWaalsContact O-N 3.08Å |
| 11 | A | 95.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E8 Y9 R13 E14 Q15 W46 | E8-A11 WeakPolarHBondContact O-CB 3.34Å; E8-A11 PolarHBondContact O-N 2.81Å; Y9-A11 VanDerWaalsContact C-N 3.3Å; Y9-A11 PolarHBondContact O-N 3.42Å; A11-R13 VanDerWaalsContact C-N 3.34Å; A11-R13 PolarHBondContact O-N 3.47Å; A11-E14 PolarHBondContact O-N 2.99Å; A11-Q15 PolarHBondContact O-N 3.29Å; A11-W46 HydrophobicContact CB-CH2 3.97Å; A11-W46 HydrophobicContact CB-CZ2 4.03Å |
| 12 | L | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 173.6 | 177.6 | 60.5 | 0 | 0 | 0 | 111.3 | L4 E8 Y9 E14 Q15 C16 M30 I41 W46 I52 | L4-L12 HydrophobicContact CD1-CB 4.49Å; L4-L12 HydrophobicContact CD1-CD2 3.96Å; E8-L12 PolarHBondContact O-N 3.17Å; E8-L12 VanDerWaalsContact O-N 3.14Å; Y9-L12 PolarHBondContact O-N 2.79Å; L12-E14 PolarHBondContact O-N 2.91Å; L12-Q15 WeakPolarHBondContact O-CB 3.34Å; L12-Q15 PolarHBondContact O-N 2.87Å; L12-Q15 VanDerWaalsContact O-N 3.16Å; L12-C16 PolarHBondContact O-N 2.89Å; L12-C16 PolarHBondContact O-SG 3.31Å; L12-M30 HydrophobicContact CD2-SD 4.04Å; L12-I41 HydrophobicContact CD2-CD1 4.43Å; L12-I41 HydrophobicContact CD2-CG2 3.86Å; L12-W46 HydrophobicContact CB-CH2 4.03Å; L12-W46 HydrophobicContact CB-CZ3 4.1Å; L12-W46 HydrophobicContact CD1-CZ3 4.39Å; L12-I52 HydrophobicContact CD1-CG1 4.13Å; L12-I52 HydrophobicContact CD2-CG2 4.28Å |
| 13 | R | 94.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 59.9 Ų | 59.9 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -45 | 175.6 | -172.9 | -178.8 | -179.5 | -105.5 | 9.3 | 112.3 | Y9 P10 A11 Q15 C16 K17 F27 M30 S31 D249 | Y9-R13 PolarHBondContact O-N 2.76Å; P10-R13 WeakPolarHBondContact O-CB 3.25Å; P10-R13 PolarHBondContact O-N 2.97Å; A11-R13 VanDerWaalsContact C-N 3.34Å; A11-R13 PolarHBondContact O-N 3.47Å; R13-Q15 VanDerWaalsContact C-N 3.31Å; R13-Q15 PolarHBondContact O-N 2.77Å; R13-C16 WeakPolarHBondContact O-CB 3.47Å; R13-C16 PolarHBondContact O-N 3.39Å; R13-K17 PolarHBondContact O-N 2.98Å; R13-F27 HydrophobicContact CG-CD2 3.82Å; R13-F27 HydrophobicContact CG-CE2 3.68Å; R13-M30 HydrophobicContact CB-CB 3.78Å; R13-M30 HydrophobicContact CB-CG 4.38Å; R13-M30 HydrophobicContact CG-CB 3.95Å; R13-S31 VanDerWaalsContact CZ-OG 3.32Å; R13-S31 PolarHBondContact NE-OG 2.76Å; R13-S31 PolarHBondContact NH2-OG 3.31Å; R13-D249 IonicContact CZ-OD2 2.83Å; R13-D249 IonicContact NH2-OD1 2.92Å; R13-D249 PolarHBondContact NH2-OD1 2.79Å; R13-D249 IonicContact NH2-OD2 2.76Å; R13-D249 PolarHBondContact NH2-OD2 3.23Å |
| 14 | E | 95.2 | Very high | 94.2 | Very high | 92 Ų | 92 | 56.4 Ų | 56.4 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.7 | -33.3 | 176.1 | -68.1 | -52 | 123.8 | 0 | 0 | 112.3 | P10 A11 L12 K17 | P10-E14 PolarHBondContact O-N 3.09Å; P10-E14 VanDerWaalsContact O-N 3.08Å; A11-E14 PolarHBondContact O-N 2.99Å; L12-E14 PolarHBondContact O-N 2.91Å; E14-K17 VanDerWaalsContact OE1-CE 3.27Å; E14-K17 WeakPolarHBondContact OE1-CE 3.41Å; E14-K17 IonicContact OE1-NZ 2.9Å; E14-K17 PolarHBondContact OE1-NZ 2.97Å; E14-K17 WeakPolarHBondContact OE2-CD 3.24Å; E14-K17 IonicContact OE2-NZ 3.71Å; E14-K17 PolarHBondContact OE2-NZ 3.23Å |
| 15 | Q | 95 | Very high | 94.2 | Very high | 20 Ų | 20 | 56.3 Ų | 56.3 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 170.9 | -168.9 | -177.4 | 1.3 | 0 | 0 | 110.7 | A11 L12 R13 K17 K18 F19 P47 A49 L74 | A11-Q15 PolarHBondContact O-N 3.29Å; L12-Q15 WeakPolarHBondContact O-CB 3.34Å; L12-Q15 PolarHBondContact O-N 2.87Å; L12-Q15 VanDerWaalsContact O-N 3.16Å; R13-Q15 VanDerWaalsContact C-N 3.31Å; R13-Q15 PolarHBondContact O-N 2.77Å; Q15-K17 VanDerWaalsContact C-N 3.29Å; Q15-K17 PolarHBondContact O-N 2.84Å; Q15-K18 WeakPolarHBondContact O-CB 3.34Å; Q15-K18 PolarHBondContact O-N 2.98Å; Q15-K18 VanDerWaalsContact O-N 3.07Å; Q15-F19 HydrophobicContact CG-CD2 4.47Å; Q15-F19 HydrophobicContact CG-CE2 4Å; Q15-F19 VanDerWaalsContact O-CD2 3.26Å; Q15-F19 WeakPolarHBondContact O-CD2 3.29Å; Q15-P47 PolarHBondContact OE1-O 3.15Å; Q15-A49 PolarHBondContact NE2-O 3.22Å; Q15-L74 HydrophobicContact CG-CD1 3.99Å |
| 16 | C | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.8 | -42.2 | 179.4 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | L12 R13 K18 F19 S23 L26 F27 | L12-C16 PolarHBondContact O-N 2.89Å; L12-C16 PolarHBondContact O-SG 3.31Å; R13-C16 WeakPolarHBondContact O-CB 3.47Å; R13-C16 PolarHBondContact O-N 3.39Å; C16-K18 PolarHBondContact O-N 3.34Å; C16-F19 CarbonylContact O-C 3.51Å; C16-F19 WeakPolarHBondContact O-CA 3.43Å; C16-F19 PolarHBondContact O-N 2.77Å; C16-S23 PolarHBondContact O-OG 3.39Å; C16-L26 WeakPolarHBondContact SG-CD2 3.41Å; C16-L26 WeakPolarHBondContact SG-CG 3.07Å; C16-F27 HydrophobicContact CB-CB 4.08Å; C16-F27 HydrophobicContact CB-CD2 4.34Å |
| 17 | K | 94.2 | Very high | 94.5 | Very high | 86 Ų | 86 | 43.8 Ų | 43.8 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -51.6 | -32.5 | 178.4 | -68.8 | -178 | -176.4 | 166.9 | 0 | 114.1 | R13 E14 Q15 F19 F27 | R13-K17 PolarHBondContact O-N 2.98Å; E14-K17 VanDerWaalsContact OE1-CE 3.27Å; E14-K17 WeakPolarHBondContact OE1-CE 3.41Å; E14-K17 IonicContact OE1-NZ 2.9Å; E14-K17 PolarHBondContact OE1-NZ 2.97Å; E14-K17 WeakPolarHBondContact OE2-CD 3.24Å; E14-K17 IonicContact OE2-NZ 3.71Å; E14-K17 PolarHBondContact OE2-NZ 3.23Å; Q15-K17 VanDerWaalsContact C-N 3.29Å; Q15-K17 PolarHBondContact O-N 2.84Å; K17-F19 PolarHBondContact O-N 2.65Å; K17-F27 HydrophobicContact CD-CE2 3.98Å; K17-F27 VanDerWaalsContact CE-CE2 3.43Å; K17-F27 HydrophobicContact CG-CD2 3.72Å; K17-F27 HydrophobicContact CG-CE2 3.34Å; K17-F27 HydrophobicContact CG-CZ 4.31Å |
| 18 | K | 94.2 | Very high | 94.6 | Very high | 171 Ų | 171 | 37.8 Ų | 37.8 | 74% | 0.743 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -16.8 | 179.7 | -58.5 | 177.2 | -176 | 173.8 | 0 | 113.4 | Q15 C16 | Q15-K18 WeakPolarHBondContact O-CB 3.34Å; Q15-K18 PolarHBondContact O-N 2.98Å; Q15-K18 VanDerWaalsContact O-N 3.07Å; C16-K18 PolarHBondContact O-N 3.34Å |
| 19 | F | 94.2 | Very high | 94.6 | Very high | 44 Ų | 44 | 36 Ų | 36 | 19% | 0.193 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 27.5 | -176.4 | -61.3 | -86.8 | 0 | 0 | 0 | 111.6 | Q15 C16 K17 G22 S23 L74 Y75 | Q15-F19 HydrophobicContact CG-CD2 4.47Å; Q15-F19 HydrophobicContact CG-CE2 4Å; Q15-F19 VanDerWaalsContact O-CD2 3.26Å; Q15-F19 WeakPolarHBondContact O-CD2 3.29Å; C16-F19 CarbonylContact O-C 3.51Å; C16-F19 WeakPolarHBondContact O-CA 3.43Å; C16-F19 PolarHBondContact O-N 2.77Å; K17-F19 PolarHBondContact O-N 2.65Å; F19-G22 PolarHBondContact O-N 2.86Å; F19-S23 PolarHBondContact O-N 3.49Å; F19-S23 PolarHBondContact O-OG 2.75Å; F19-L74 HydrophobicContact CB-CB 4.39Å; F19-L74 HydrophobicContact CB-CD2 4.04Å; F19-L74 HydrophobicContact CD1-CB 3.78Å; F19-L74 WeakPolarHBondContact CD1-O 3.35Å; F19-L74 HydrophobicContact CD2-CB 4Å; F19-L74 HydrophobicContact CD2-CD1 3.7Å; F19-L74 HydrophobicContact CD2-CD2 4.2Å; F19-L74 HydrophobicContact CD2-CG 4.18Å; F19-L74 HydrophobicContact CE1-CB 3.95Å; F19-L74 WeakPolarHBondContact CE1-O 3.31Å; F19-L74 HydrophobicContact CE2-CB 4.19Å; F19-L74 HydrophobicContact CE2-CD1 3.77Å; F19-L74 HydrophobicContact CG-CB 3.79Å; F19-L74 HydrophobicContact CG-CD1 4.32Å; F19-L74 HydrophobicContact CG-CD2 4.17Å; F19-L74 HydrophobicContact CG-CG 4.3Å; F19-L74 HydrophobicContact CZ-CB 4.15Å; F19-L74 HydrophobicContact CZ-CD1 4.41Å; F19-Y75 HydrophobicContact CE1-CD1 4.17Å; F19-Y75 HydrophobicContact CE1-CD2 4.18Å; F19-Y75 AromaticContact CE1-CE1 3.69Å; F19-Y75 HydrophobicContact CE1-CE1 3.69Å; F19-Y75 AromaticContact CE1-CE2 3.7Å; F19-Y75 HydrophobicContact CE1-CE2 3.7Å; F19-Y75 HydrophobicContact CE1-CG 4.41Å; F19-Y75 AromaticContact CE1-CZ 3.44Å; F19-Y75 VanDerWaalsContact CE1-CZ 3.44Å; F19-Y75 HydrophobicContact CZ-CE1 4.2Å; F19-Y75 AromaticContact CZ-CE2 3.66Å; F19-Y75 HydrophobicContact CZ-CE2 3.66Å; F19-Y75 AromaticContact CZ-CZ 3.49Å; F19-Y75 VanDerWaalsContact CZ-CZ 3.49Å; F19-Y75 WeakPolarHBondContact CZ-OH 3.4Å |
| 20 | L | 94.9 | Very high | 94.5 | Very high | 51 Ų | 51 | 36 Ų | 36 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 143.4 | 168.9 | -68.3 | 172.9 | 0 | 0 | 0 | 109.5 | V24 W139 L251 | L20-V24 HydrophobicContact CD2-CB 4Å; L20-V24 HydrophobicContact CD2-CG2 4.44Å; L20-W139 HydrophobicContact CB-CH2 4.35Å; L20-W139 HydrophobicContact CB-CZ3 4.23Å; L20-L251 HydrophobicContact CD1-CD1 3.74Å; L20-L251 HydrophobicContact CD2-CD1 3.72Å; L20-L251 HydrophobicContact CG-CD1 4.41Å |
| 21 | P | 94.8 | Very high | 94.5 | Very high | 42 Ų | 42 | 32.2 Ų | 32.2 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -85.9 | -15.9 | 4.7 | 32 | -35 | 0 | 0 | 0 | 116.8 | S23 V24 W139 I276 | P21-S23 PolarHBondContact O-N 3.43Å; P21-V24 VanDerWaalsContact O-CB 3.3Å; P21-V24 WeakPolarHBondContact O-CB 3.4Å; P21-V24 WeakPolarHBondContact O-CG1 3.3Å; P21-V24 PolarHBondContact O-N 2.94Å; P21-W139 HydrophobicContact CB-CD2 3.58Å; P21-W139 HydrophobicContact CB-CE3 3.97Å; P21-W139 HydrophobicContact CB-CG 4.08Å; P21-W139 HydrophobicContact CB-CH2 3.94Å; P21-W139 HydrophobicContact CB-CZ2 3.57Å; P21-W139 HydrophobicContact CB-CZ3 4.12Å; P21-W139 HydrophobicContact CG-CZ2 4.05Å; P21-I276 HydrophobicContact CB-CD1 3.95Å; P21-I276 HydrophobicContact CB-CG1 3.96Å; P21-I276 HydrophobicContact CB-CG2 4.37Å; P21-I276 HydrophobicContact CG-CG1 4.33Å; P21-I276 HydrophobicContact CG-CG2 4.18Å |
| 22 | G | 92.6 | Very high | 94.2 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 33% | 0.33 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | F19 | F19-G22 PolarHBondContact O-N 2.86Š|
| 23 | S | 94.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 9.3 | 177.1 | 63 | 0 | 0 | 0 | 0 | 115.1 | C16 F19 P21 V25 L26 F27 | C16-S23 PolarHBondContact O-OG 3.39Å; F19-S23 PolarHBondContact O-N 3.49Å; F19-S23 PolarHBondContact O-OG 2.75Å; P21-S23 PolarHBondContact O-N 3.43Å; S23-V25 PolarHBondContact O-N 2.97Å; S23-V25 VanDerWaalsContact O-N 3.12Å; S23-L26 PolarHBondContact O-N 3.12Å; S23-L26 VanDerWaalsContact O-N 3.09Å; S23-F27 WeakPolarHBondContact O-CB 3.47Å; S23-F27 PolarHBondContact O-N 3.13Å |
| 24 | V | 96 | Very high | 91.8 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.1 | -38.4 | -172.8 | 67 | 0 | 0 | 0 | 0 | 113.3 | L20 P21 F27 N28 W139 L251 C253 I276 | L20-V24 HydrophobicContact CD2-CB 4Å; L20-V24 HydrophobicContact CD2-CG2 4.44Å; P21-V24 VanDerWaalsContact O-CB 3.3Å; P21-V24 WeakPolarHBondContact O-CB 3.4Å; P21-V24 WeakPolarHBondContact O-CG1 3.3Å; P21-V24 PolarHBondContact O-N 2.94Å; V24-F27 WeakPolarHBondContact O-CB 3.46Å; V24-N28 PolarHBondContact O-N 3.29Å; V24-W139 HydrophobicContact CG2-CE3 4.42Å; V24-L251 HydrophobicContact CG2-CB 3.68Å; V24-L251 HydrophobicContact CG2-CD1 4.08Å; V24-C253 HydrophobicContact CG1-CB 3.88Å; V24-C253 HydrophobicContact CG2-CB 3.87Å; V24-I276 HydrophobicContact CG1-CD1 3.64Å |
| 25 | V | 94.8 | Very high | 90 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.7 | -50.5 | 179.4 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | S23 F27 N28 M29 F72 Y106 M216 Y255 | S23-V25 PolarHBondContact O-N 2.97Å; S23-V25 VanDerWaalsContact O-N 3.12Å; V25-F27 PolarHBondContact O-N 2.67Å; V25-N28 CarbonylContact O-C 3.58Å; V25-N28 WeakPolarHBondContact O-CB 3.34Å; V25-N28 PolarHBondContact O-N 3.43Å; V25-M29 HydrophobicContact CG1-CG 4.46Å; V25-M29 HydrophobicContact CG1-SD 4.5Å; V25-M29 VanDerWaalsContact O-CG 3.31Å; V25-M29 WeakPolarHBondContact O-CG 3.25Å; V25-M29 PolarHBondContact O-N 2.9Å; V25-F72 HydrophobicContact CB-CE1 3.94Å; V25-F72 HydrophobicContact CB-CZ 4.42Å; V25-F72 HydrophobicContact CG1-CE1 4.07Å; V25-F72 HydrophobicContact CG1-CZ 4.12Å; V25-Y106 HydrophobicContact CB-CE1 4.19Å; V25-Y106 HydrophobicContact CG1-CE1 3.82Å; V25-Y106 HydrophobicContact CG1-CE2 3.94Å; V25-Y106 VanDerWaalsContact CG1-CZ 3.41Å; V25-Y106 VanDerWaalsContact CG1-OH 3.23Å; V25-Y106 WeakPolarHBondContact CG1-OH 3.47Å; V25-Y106 HydrophobicContact CG2-CE1 3.78Å; V25-M216 HydrophobicContact CG1-CB 4.23Å; V25-Y255 WeakPolarHBondContact CG1-OH 3.21Å; V25-Y255 HydrophobicContact CG2-CE1 4.41Å; V25-Y255 WeakPolarHBondContact CG2-OH 3.42Å |
| 26 | L | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 177.8 | 179.2 | 59.3 | 0 | 0 | 0 | 110.4 | C16 S23 N28 M29 M30 I52 I54 F72 L74 | C16-L26 WeakPolarHBondContact SG-CD2 3.41Å; C16-L26 WeakPolarHBondContact SG-CG 3.07Å; S23-L26 PolarHBondContact O-N 3.12Å; S23-L26 VanDerWaalsContact O-N 3.09Å; L26-N28 PolarHBondContact O-N 3.47Å; L26-M29 PolarHBondContact O-N 3.32Å; L26-M30 HydrophobicContact CD1-CE 4.39Å; L26-M30 WeakPolarHBondContact O-CG 3.46Å; L26-M30 PolarHBondContact O-N 3.27Å; L26-M30 VanDerWaalsContact O-N 3.07Å; L26-I52 HydrophobicContact CD1-CG2 4.15Å; L26-I52 HydrophobicContact CD2-CB 4.1Å; L26-I52 HydrophobicContact CD2-CD1 3.89Å; L26-I52 HydrophobicContact CD2-CG1 4.03Å; L26-I52 HydrophobicContact CD2-CG2 4.28Å; L26-I54 HydrophobicContact CD1-CD1 3.42Å; L26-I54 VanDerWaalsContact CD1-CD1 3.42Å; L26-I54 HydrophobicContact CD1-CG1 4.43Å; L26-F72 HydrophobicContact CB-CD1 4.19Å; L26-F72 HydrophobicContact CB-CD2 4.28Å; L26-F72 HydrophobicContact CB-CE1 4.38Å; L26-F72 HydrophobicContact CB-CE2 4.45Å; L26-F72 HydrophobicContact CB-CG 4.13Å; L26-F72 HydrophobicContact CB-CZ 4.5Å; L26-F72 HydrophobicContact CD1-CD2 3.94Å; L26-F72 HydrophobicContact CD1-CE2 4.13Å; L26-F72 HydrophobicContact CD2-CB 4.16Å; L26-F72 HydrophobicContact CD2-CD2 4.44Å; L26-F72 HydrophobicContact CD2-CG 4.33Å; L26-F72 HydrophobicContact CG-CD2 4.45Å; L26-L74 HydrophobicContact CD2-CD2 4.35Å |
| 27 | F | 95.6 | Very high | 87.4 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.7 | -50.1 | 172.3 | 178.7 | -89.7 | 0 | 0 | 0 | 111.7 | R13 C16 K17 S23 V24 V25 M30 S31 L251 | R13-F27 HydrophobicContact CG-CD2 3.82Å; R13-F27 HydrophobicContact CG-CE2 3.68Å; C16-F27 HydrophobicContact CB-CB 4.08Å; C16-F27 HydrophobicContact CB-CD2 4.34Å; K17-F27 HydrophobicContact CD-CE2 3.98Å; K17-F27 VanDerWaalsContact CE-CE2 3.43Å; K17-F27 HydrophobicContact CG-CD2 3.72Å; K17-F27 HydrophobicContact CG-CE2 3.34Å; K17-F27 HydrophobicContact CG-CZ 4.31Å; S23-F27 WeakPolarHBondContact O-CB 3.47Å; S23-F27 PolarHBondContact O-N 3.13Å; V24-F27 WeakPolarHBondContact O-CB 3.46Å; V25-F27 PolarHBondContact O-N 2.67Å; F27-M30 PolarHBondContact O-N 2.99Å; F27-S31 WeakPolarHBondContact CE1-OG 3.46Å; F27-S31 PolarHBondContact O-N 3.46Å; F27-S31 PolarHBondContact O-OG 3.06Å; F27-L251 HydrophobicContact CD1-CD1 3.44Å; F27-L251 VanDerWaalsContact CD1-CD1 3.44Å; F27-L251 HydrophobicContact CD1-CG 3.56Å; F27-L251 HydrophobicContact CE1-CD1 3.74Å; F27-L251 HydrophobicContact CE1-CD2 4.06Å; F27-L251 HydrophobicContact CE1-CG 3.56Å; F27-L251 HydrophobicContact CG-CD1 3.98Å; F27-L251 HydrophobicContact CZ-CD1 4.49Å |
| 28 | N | 95.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 178.2 | -76.2 | -6.5 | 0 | 0 | 0 | 112.1 | V24 V25 L26 M30 S31 I32 M216 G217 L250 L251 C253 | V24-N28 PolarHBondContact O-N 3.29Å; V25-N28 CarbonylContact O-C 3.58Å; V25-N28 WeakPolarHBondContact O-CB 3.34Å; V25-N28 PolarHBondContact O-N 3.43Å; L26-N28 PolarHBondContact O-N 3.47Å; N28-M30 PolarHBondContact O-N 3.12Å; N28-S31 WeakPolarHBondContact O-CA 3.48Å; N28-S31 WeakPolarHBondContact O-CB 3.5Å; N28-S31 PolarHBondContact O-N 3.23Å; N28-I32 WeakPolarHBondContact O-CG1 3.4Å; N28-I32 PolarHBondContact O-N 2.62Å; N28-I32 VanDerWaalsContact O-N 3.08Å; N28-M216 WeakPolarHBondContact CB-O 3.43Å; N28-G217 PolarHBondContact ND2-O 3.41Å; N28-L250 HydrophobicContact CB-CD2 4.21Å; N28-L251 PolarHBondContact ND2-O 2.93Å; N28-L251 PolarHBondContact OD1-N 3.19Å; N28-C253 PolarHBondContact ND2-SG 2.97Å; N28-C253 VanDerWaalsContact ND2-SG 3.42Å |
| 29 | M | 93.8 | Very high | 86.6 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.7 | -38.9 | 174.5 | -67.1 | -175 | 70.6 | 0 | 0 | 111.6 | V25 L26 I54 F72 L215 | V25-M29 HydrophobicContact CG1-CG 4.46Å; V25-M29 HydrophobicContact CG1-SD 4.5Å; V25-M29 VanDerWaalsContact O-CG 3.31Å; V25-M29 WeakPolarHBondContact O-CG 3.25Å; V25-M29 PolarHBondContact O-N 2.9Å; L26-M29 PolarHBondContact O-N 3.32Å; M29-I54 HydrophobicContact CE-CB 4.13Å; M29-I54 HydrophobicContact CE-CD1 3.59Å; M29-I54 HydrophobicContact CE-CG1 4.45Å; M29-I54 HydrophobicContact CE-CG2 3.8Å; M29-I54 HydrophobicContact SD-CD1 3.88Å; M29-F72 HydrophobicContact SD-CE2 3.71Å; M29-F72 HydrophobicContact SD-CZ 3.6Å; M29-F72 VanDerWaalsContact SD-CZ 3.6Å; M29-L215 HydrophobicContact CE-CD1 3.88Å; M29-L215 HydrophobicContact CE-CG 4.02Å; M29-L215 VanDerWaalsContact CG-O 3.3Å; M29-L215 WeakPolarHBondContact CG-O 3.44Å |
| 30 | M | 92.1 | Very high | 86.5 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -78.5 | -19.4 | 177.1 | -60.6 | -54.7 | 91.4 | 0 | 0 | 113.7 | L12 R13 L26 F27 N28 L39 I41 I54 | L12-M30 HydrophobicContact CD2-SD 4.04Å; R13-M30 HydrophobicContact CB-CB 3.78Å; R13-M30 HydrophobicContact CB-CG 4.38Å; R13-M30 HydrophobicContact CG-CB 3.95Å; L26-M30 HydrophobicContact CD1-CE 4.39Å; L26-M30 WeakPolarHBondContact O-CG 3.46Å; L26-M30 PolarHBondContact O-N 3.27Å; L26-M30 VanDerWaalsContact O-N 3.07Å; F27-M30 PolarHBondContact O-N 2.99Å; N28-M30 PolarHBondContact O-N 3.12Å; M30-L39 HydrophobicContact CE-CD1 4.19Å; M30-I41 HydrophobicContact CE-CD1 3.57Å; M30-I41 HydrophobicContact SD-CD1 3.52Å; M30-I41 VanDerWaalsContact SD-CD1 3.52Å; M30-I54 HydrophobicContact CE-CD1 3.69Å |
| 31 | S | 92.1 | Very high | 86.6 | Confident | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -84.2 | -24.1 | 178.2 | -62 | 0 | 0 | 0 | 0 | 113.4 | R13 F27 N28 K33 D249 | R13-S31 VanDerWaalsContact CZ-OG 3.32Å; R13-S31 PolarHBondContact NE-OG 2.76Å; R13-S31 PolarHBondContact NH2-OG 3.31Å; F27-S31 WeakPolarHBondContact CE1-OG 3.46Å; F27-S31 PolarHBondContact O-N 3.46Å; F27-S31 PolarHBondContact O-OG 3.06Å; N28-S31 WeakPolarHBondContact O-CA 3.48Å; N28-S31 WeakPolarHBondContact O-CB 3.5Å; N28-S31 PolarHBondContact O-N 3.23Å; S31-K33 PolarHBondContact O-N 3.47Å; S31-D249 VanDerWaalsContact CB-O 3.32Å; S31-D249 WeakPolarHBondContact CB-O 3.49Å; S31-D249 PolarHBondContact OG-O 3.31Å |
| 32 | I | 90.2 | Very high | 86.7 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | trans | -67.8 | 116.9 | -177.3 | -66.9 | 165.5 | 0 | 0 | 0 | 110.2 | N28 T34 K36 M194 D214 L215 L250 | N28-I32 WeakPolarHBondContact O-CG1 3.4Å; N28-I32 PolarHBondContact O-N 2.62Å; N28-I32 VanDerWaalsContact O-N 3.08Å; I32-T34 WeakPolarHBondContact CG2-O 3.46Å; I32-K36 WeakPolarHBondContact O-CE 3.37Å; I32-M194 HydrophobicContact CD1-CE 4.09Å; I32-M194 HydrophobicContact CG1-CE 4.02Å; I32-M194 HydrophobicContact CG2-SD 4.43Å; I32-D214 VanDerWaalsContact CD1-O 3.25Å; I32-D214 WeakPolarHBondContact CD1-O 3.22Å; I32-L215 WeakPolarHBondContact CD1-O 3.46Å; I32-L250 HydrophobicContact CG1-CD2 3.92Å | ||
| 33 | K | 79.4 | Confident | 86.8 | Confident | 168 Ų | 168 | 34.8 Ų | 34.8 | 73% | 0.73 | 18% | 0.181 | S | C | * | . | trans | -97 | -33.5 | 179.5 | -64.5 | 174.5 | -172.9 | 169.9 | 0 | 112.1 | S31 | S31-K33 PolarHBondContact O-N 3.47Š| ||
| 34 | T | 59.7 | Low | 86.8 | Confident | 78 Ų | 78 | 35.9 Ų | 35.9 | 48% | 0.479 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -89.3 | 144.7 | -177.3 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | I32 K36 T193 | I32-T34 WeakPolarHBondContact CG2-O 3.46Å; T34-K36 VanDerWaalsContact C-N 3.31Å; T34-K36 PolarHBondContact O-N 2.82Å; T34-T193 PolarHBondContact OG1-O 3.13Å |
| 35 | A | 57.2 | Low | 86.7 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 31% | 0.314 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 58.9 | 31.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | L37 T193 | A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 2.67Å; A35-T193 HydrophobicContact CB-CG2 3.89Å |
| 36 | K | 62.1 | Low | 86.7 | Confident | 126 Ų | 126 | 44.5 Ų | 44.5 | 55% | 0.548 | 22% | 0.224 | S | C | . | . | trans | -57.6 | 95.2 | 174.2 | -72.6 | -169.8 | 178.7 | -172.6 | 0 | 110.3 | I32 T34 | I32-K36 WeakPolarHBondContact O-CE 3.37Å; T34-K36 VanDerWaalsContact C-N 3.31Å; T34-K36 PolarHBondContact O-N 2.82Å | ||
| 37 | L | 72.2 | Confident | 86.6 | Confident | 37 Ų | 37 | 48.4 Ų | 48.4 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | trans | -52 | 139.8 | 154.5 | -67.1 | 171.2 | 0 | 0 | 0 | 106.6 | A35 L39 S56 | A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 2.67Å; L37-L39 WeakPolarHBondContact O-CD2 3.43Å; L37-L39 WeakPolarHBondContact O-CG 3.4Å; L37-L39 PolarHBondContact O-N 3.37Å; L37-L39 VanDerWaalsContact O-N 3.07Å; L37-S56 WeakPolarHBondContact CB-OG 3.34Å | ||
| 38 | P | 82.1 | Confident | 86.5 | Confident | 92 Ų | 92 | 54 Ų | 54 | 60% | 0.597 | 28% | 0.279 | S | S | * | . | trans | -56.5 | 121.6 | 178.4 | 23.7 | -32.8 | 0 | 0 | 0 | 108.8 | ||||
| 39 | L | 89.8 | Confident | 86.4 | Confident | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | trans | -104.3 | 130.2 | 178.4 | -56.5 | -174.5 | 0 | 0 | 0 | 108.8 | Y9 M30 L37 I41 I54 L215 | Y9-L39 PolarHBondContact OH-O 3.14Å; M30-L39 HydrophobicContact CE-CD1 4.19Å; L37-L39 WeakPolarHBondContact O-CD2 3.43Å; L37-L39 WeakPolarHBondContact O-CG 3.4Å; L37-L39 PolarHBondContact O-N 3.37Å; L37-L39 VanDerWaalsContact O-N 3.07Å; L39-I41 HydrophobicContact CB-CG1 4.27Å; L39-I54 HydrophobicContact CB-CG2 4.32Å; L39-I54 HydrophobicContact CD1-CG2 4.5Å; L39-I54 HydrophobicContact CD2-CG2 4.03Å; L39-L215 HydrophobicContact CD2-CD1 3.59Å | ||
| 40 | E | 93.3 | Very high | 86.4 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 113.7 | 164.4 | -59.4 | 178.5 | 106.5 | 0 | 0 | 106.8 | L3 F42 I54 K55 | L3-E40 HydrophobicContact CD1-CB 4.1Å; E40-F42 HydrophobicContact CB-CD2 4.49Å; E40-F42 HydrophobicContact CB-CE2 3.61Å; E40-F42 HydrophobicContact CB-CZ 4.01Å; E40-I54 WeakPolarHBondContact O-CA 3.38Å; E40-K55 HydrophobicContact CB-CB 4.26Å; E40-K55 PolarHBondContact N-O 3.05Å; E40-K55 PolarHBondContact O-N 2.98Å; E40-K55 WeakPolarHBondContact OE2-CD 3.42Å; E40-K55 WeakPolarHBondContact OE2-CE 3.37Å; E40-K55 IonicContact OE2-NZ 2.93Å; E40-K55 PolarHBondContact OE2-NZ 3.3Å; E40-K55 VanDerWaalsContact OE2-NZ 3.09Å |
| 41 | I | 95.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115.3 | -176 | -52.4 | -172.6 | 0 | 0 | 0 | 109.6 | L4 Y9 L12 M30 L39 I52 I54 | L4-I41 HydrophobicContact CB-CB 4.41Å; L4-I41 HydrophobicContact CD1-CG2 3.95Å; L4-I41 HydrophobicContact CG-CG2 4.47Å; L4-I41 PolarHBondContact N-O 2.91Å; Y9-I41 HydrophobicContact CD1-CD1 3.83Å; Y9-I41 HydrophobicContact CD2-CD1 3.92Å; Y9-I41 HydrophobicContact CE1-CB 4.14Å; Y9-I41 HydrophobicContact CE1-CD1 3.61Å; Y9-I41 HydrophobicContact CE1-CG1 3.94Å; Y9-I41 HydrophobicContact CE2-CD1 3.67Å; Y9-I41 HydrophobicContact CE2-CG1 4.23Å; Y9-I41 HydrophobicContact CG-CD1 4Å; L12-I41 HydrophobicContact CD2-CD1 4.43Å; L12-I41 HydrophobicContact CD2-CG2 3.86Å; M30-I41 HydrophobicContact CE-CD1 3.57Å; M30-I41 HydrophobicContact SD-CD1 3.52Å; M30-I41 VanDerWaalsContact SD-CD1 3.52Å; L39-I41 HydrophobicContact CB-CG1 4.27Å; I41-I52 HydrophobicContact CG2-CG2 3.79Å; I41-I54 HydrophobicContact CD1-CD1 4.48Å; I41-I54 HydrophobicContact CG1-CG1 4.14Å; I41-I54 HydrophobicContact CG2-CG1 4.22Å |
| 42 | F | 96.6 | Very high | 86.7 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.3 | 178.5 | -57.3 | -90.9 | 0 | 0 | 0 | 110.4 | M1 H2 L3 E40 I52 V53 K55 I91 | M1-F42 HydrophobicContact CB-CB 3.93Å; M1-F42 HydrophobicContact CE-CB 4.01Å; M1-F42 WeakPolarHBondContact CE-O 3.28Å; M1-F42 HydrophobicContact SD-CB 4.32Å; H2-F42 CarbonylContact O-C 3.56Å; H2-F42 VanDerWaalsContact O-CA 3.26Å; H2-F42 WeakPolarHBondContact O-CA 3.39Å; L3-F42 HydrophobicContact CB-CD1 4.14Å; L3-F42 HydrophobicContact CB-CE1 4.07Å; L3-F42 HydrophobicContact CD1-CD1 4.17Å; L3-F42 HydrophobicContact CD1-CE1 3.87Å; L3-F42 HydrophobicContact CD1-CE2 4.38Å; L3-F42 HydrophobicContact CD1-CZ 3.99Å; L3-F42 HydrophobicContact CG-CE1 4.45Å; E40-F42 HydrophobicContact CB-CD2 4.49Å; E40-F42 HydrophobicContact CB-CE2 3.61Å; E40-F42 HydrophobicContact CB-CZ 4.01Å; F42-I52 CarbonylContact O-C 3.58Å; F42-I52 WeakPolarHBondContact O-CA 3.35Å; F42-V53 HydrophobicContact CB-CB 4.33Å; F42-V53 PolarHBondContact N-O 3.42Å; F42-V53 PolarHBondContact O-N 2.7Å; F42-K55 HydrophobicContact CE2-CB 4.16Å; F42-I91 HydrophobicContact CB-CD1 4.01Å; F42-I91 HydrophobicContact CD1-CD1 3.47Å; F42-I91 VanDerWaalsContact CD1-CD1 3.47Å; F42-I91 HydrophobicContact CD2-CD1 3.69Å; F42-I91 HydrophobicContact CE1-CD1 3.76Å; F42-I91 HydrophobicContact CE2-CD1 3.97Å; F42-I91 HydrophobicContact CG-CD1 3.43Å; F42-I91 VanDerWaalsContact CG-CD1 3.43Å; F42-I91 HydrophobicContact CG-CG1 4.45Å; F42-I91 HydrophobicContact CZ-CD1 4Å |
| 43 | V | 96.1 | Very high | 87 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155.3 | 174.9 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | M1 H2 L4 H45 W46 A49 V51 I52 | M1-V43 CarbonylContact C-O 3.6Å; M1-V43 WeakPolarHBondContact CA-O 3.38Å; M1-V43 WeakPolarHBondContact CB-O 3.07Å; H2-V43 HydrophobicContact CB-CG2 4.11Å; H2-V43 PolarHBondContact N-O 3.02Å; H2-V43 PolarHBondContact O-N 3.23Å; L4-V43 HydrophobicContact CD1-CG1 3.75Å; L4-V43 HydrophobicContact CD2-CG1 4.42Å; L4-V43 HydrophobicContact CD2-CG2 3.77Å; L4-V43 HydrophobicContact CG-CG1 4.02Å; L4-V43 HydrophobicContact CG-CG2 4.12Å; V43-H45 WeakPolarHBondContact CG2-O 3.18Å; V43-W46 HydrophobicContact CG2-CB 4.07Å; V43-W46 HydrophobicContact CG2-CE3 4.37Å; V43-A49 HydrophobicContact CB-CB 3.79Å; V43-A49 HydrophobicContact CG1-CB 3.71Å; V43-V51 WeakPolarHBondContact CA-O 3.41Å; V43-I52 HydrophobicContact CG1-CG1 4.11Å; V43-I52 HydrophobicContact CG1-CG2 4.42Å |
| 44 | D | 94.1 | Very high | 87.8 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -71.3 | -42.2 | 171.9 | 63.4 | -35.7 | 0 | 0 | 0 | 112.1 | T50 V51 M86 | D44-T50 PolarHBondContact OD1-N 2.93Å; D44-T50 WeakPolarHBondContact OD2-CB 3.41Å; D44-T50 PolarHBondContact OD2-OG1 3.36Å; D44-V51 HydrophobicContact CB-CB 4.16Å; D44-V51 PolarHBondContact N-O 2.89Å; D44-V51 PolarHBondContact OD1-N 3.4Å; D44-M86 HydrophobicContact CB-CE 3.86Å; D44-M86 HydrophobicContact CB-SD 4.34Å |
| 45 | H | 93.2 | Very high | 89.4 | Confident | 119 Ų | 119 | 42.7 Ų | 42.7 | 55% | 0.551 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -140.8 | 151.9 | 179.5 | -55 | 93.8 | 0 | 0 | 0 | 110.6 | V43 A49 | V43-H45 WeakPolarHBondContact CG2-O 3.18Å; H45-A49 WeakPolarHBondContact O-CA 3.46Å; H45-A49 WeakPolarHBondContact O-CB 3.19Å; H45-A49 PolarHBondContact O-N 2.87Å |
| 46 | W | 95.4 | Very high | 91 | Very high | 67 Ų | 67 | 41 Ų | 41 | 25% | 0.254 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -139.1 | 135.2 | 175.4 | -170.4 | -114.4 | 0 | 0 | 0 | 110.1 | L4 E8 A11 L12 V43 | L4-W46 HydrophobicContact CD1-CE3 4.02Å; L4-W46 HydrophobicContact CD1-CH2 4.22Å; L4-W46 HydrophobicContact CD1-CZ3 3.82Å; L4-W46 HydrophobicContact CD2-CB 4.27Å; L4-W46 HydrophobicContact CD2-CD2 3.39Å; L4-W46 HydrophobicContact CD2-CE3 3.56Å; L4-W46 HydrophobicContact CD2-CG 3.72Å; L4-W46 HydrophobicContact CD2-CZ2 4.4Å; L4-W46 HydrophobicContact CD2-CZ3 4.13Å; L4-W46 HydrophobicContact CG-CE3 4.45Å; E8-W46 HydrophobicContact CB-CH2 4.25Å; E8-W46 HydrophobicContact CB-CZ2 3.59Å; E8-W46 HydrophobicContact CG-CZ2 4.17Å; E8-W46 VanDerWaalsContact OE1-CD1 3.32Å; E8-W46 PolarHBondContact OE1-NE1 3.11Å; A11-W46 HydrophobicContact CB-CH2 3.97Å; A11-W46 HydrophobicContact CB-CZ2 4.03Å; L12-W46 HydrophobicContact CB-CH2 4.03Å; L12-W46 HydrophobicContact CB-CZ3 4.1Å; L12-W46 HydrophobicContact CD1-CZ3 4.39Å; V43-W46 HydrophobicContact CG2-CB 4.07Å; V43-W46 HydrophobicContact CG2-CE3 4.37Å |
| 47 | P | 93.5 | Very high | 92.2 | Very high | 83 Ų | 83 | 39 Ų | 39 | 54% | 0.539 | 20% | 0.201 | S | C | . | . | S | Bend | cis | -83.6 | -3.1 | 9.2 | 34 | -37.5 | 0 | 0 | 0 | 116.8 | Q15 A49 | Q15-P47 PolarHBondContact OE1-O 3.15Å; P47-A49 PolarHBondContact O-N 3.45Å |
| 48 | N | 92.2 | Very high | 92.7 | Very high | 122 Ų | 122 | 38.3 Ų | 38.3 | 65% | 0.652 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -103.3 | 68.3 | -175 | -60.8 | -55.3 | 0 | 0 | 0 | 111.4 | ||
| 49 | A | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -63.2 | 139.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q15 V43 H45 P47 I52 L74 | Q15-A49 PolarHBondContact NE2-O 3.22Å; V43-A49 HydrophobicContact CB-CB 3.79Å; V43-A49 HydrophobicContact CG1-CB 3.71Å; H45-A49 WeakPolarHBondContact O-CA 3.46Å; H45-A49 WeakPolarHBondContact O-CB 3.19Å; H45-A49 PolarHBondContact O-N 2.87Å; P47-A49 PolarHBondContact O-N 3.45Å; A49-I52 HydrophobicContact CB-CD1 4.25Å; A49-I52 HydrophobicContact CB-CG1 4.1Å; A49-L74 WeakPolarHBondContact O-CD1 3.39Å | ||
| 50 | T | 93.4 | Very high | 92.1 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 19% | 0.19 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -111.9 | -27.7 | 170.2 | 82.7 | 0 | 0 | 0 | 0 | 111.9 | D44 S73 L74 Y75 | D44-T50 PolarHBondContact OD1-N 2.93Å; D44-T50 WeakPolarHBondContact OD2-CB 3.41Å; D44-T50 PolarHBondContact OD2-OG1 3.36Å; T50-S73 CarbonylContact O-C 3.5Å; T50-S73 VanDerWaalsContact O-CA 3.3Å; T50-S73 WeakPolarHBondContact O-CA 3.49Å; T50-L74 PolarHBondContact O-N 2.89Å; T50-Y75 HydrophobicContact CG2-CD2 3.97Å; T50-Y75 HydrophobicContact CG2-CE2 4.02Å |
| 51 | V | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.6 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 107.9 | M1 V43 D44 V53 F72 N77 L78 V83 M86 I87 | M1-V51 HydrophobicContact CE-CG1 4.19Å; V43-V51 WeakPolarHBondContact CA-O 3.41Å; D44-V51 HydrophobicContact CB-CB 4.16Å; D44-V51 PolarHBondContact N-O 2.89Å; D44-V51 PolarHBondContact OD1-N 3.4Å; V51-V53 HydrophobicContact CG1-CG2 4.49Å; V51-F72 WeakPolarHBondContact CA-O 3.29Å; V51-N77 HydrophobicContact CG2-CB 4.38Å; V51-L78 HydrophobicContact CG1-CD2 4.33Å; V51-V83 HydrophobicContact CB-CG1 4.49Å; V51-V83 HydrophobicContact CG1-CG1 4.11Å; V51-V83 HydrophobicContact CG2-CG1 3.62Å; V51-V83 HydrophobicContact CG2-CG2 4.32Å; V51-M86 HydrophobicContact CG1-CE 4.44Å; V51-I87 HydrophobicContact CG1-CD1 3.82Å; V51-I87 HydrophobicContact CG1-CG1 4.3Å |
| 52 | I | 96.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.5 | -178.5 | -55.9 | 90 | 0 | 0 | 0 | 107.9 | L12 L26 I41 F42 V43 A49 I54 A71 F72 L74 | L12-I52 HydrophobicContact CD1-CG1 4.13Å; L12-I52 HydrophobicContact CD2-CG2 4.28Å; L26-I52 HydrophobicContact CD1-CG2 4.15Å; L26-I52 HydrophobicContact CD2-CB 4.1Å; L26-I52 HydrophobicContact CD2-CD1 3.89Å; L26-I52 HydrophobicContact CD2-CG1 4.03Å; L26-I52 HydrophobicContact CD2-CG2 4.28Å; I41-I52 HydrophobicContact CG2-CG2 3.79Å; F42-I52 CarbonylContact O-C 3.58Å; F42-I52 WeakPolarHBondContact O-CA 3.35Å; V43-I52 HydrophobicContact CG1-CG1 4.11Å; V43-I52 HydrophobicContact CG1-CG2 4.42Å; A49-I52 HydrophobicContact CB-CD1 4.25Å; A49-I52 HydrophobicContact CB-CG1 4.1Å; I52-I54 HydrophobicContact CG2-CG1 4.2Å; I52-A71 CarbonylContact O-C 3.59Å; I52-F72 HydrophobicContact CB-CB 4.43Å; I52-F72 PolarHBondContact N-O 2.49Å; I52-F72 PolarHBondContact O-N 2.84Å; I52-L74 HydrophobicContact CD1-CD1 3.95Å; I52-L74 HydrophobicContact CD1-CD2 4.13Å; I52-L74 HydrophobicContact CD1-CG 3.67Å |
| 53 | V | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.1 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 107.7 | M1 F42 V51 I69 C70 A71 I87 I91 | M1-V53 HydrophobicContact CE-CB 4.08Å; M1-V53 HydrophobicContact CE-CG2 3.78Å; M1-V53 HydrophobicContact SD-CB 4.37Å; M1-V53 HydrophobicContact SD-CG2 3.98Å; F42-V53 HydrophobicContact CB-CB 4.33Å; F42-V53 PolarHBondContact N-O 3.42Å; F42-V53 PolarHBondContact O-N 2.7Å; V51-V53 HydrophobicContact CG1-CG2 4.49Å; V53-I69 HydrophobicContact CG1-CG2 3.54Å; V53-C70 CarbonylContact C-O 3.55Å; V53-C70 WeakPolarHBondContact CA-O 3.46Å; V53-A71 HydrophobicContact CG2-CB 4.26Å; V53-I87 HydrophobicContact CG2-CD1 3.98Å; V53-I87 HydrophobicContact CG2-CG1 3.95Å; V53-I87 HydrophobicContact CG2-CG2 4.03Å; V53-I91 HydrophobicContact CG1-CG1 4.34Å; V53-I91 HydrophobicContact CG1-CG2 4.12Å |
| 54 | I | 95.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 123.2 | 176.8 | -60.6 | 177.4 | 0 | 0 | 0 | 107.9 | L26 M29 M30 L39 E40 I41 I52 I69 C70 F72 | L26-I54 HydrophobicContact CD1-CD1 3.42Å; L26-I54 VanDerWaalsContact CD1-CD1 3.42Å; L26-I54 HydrophobicContact CD1-CG1 4.43Å; M29-I54 HydrophobicContact CE-CB 4.13Å; M29-I54 HydrophobicContact CE-CD1 3.59Å; M29-I54 HydrophobicContact CE-CG1 4.45Å; M29-I54 HydrophobicContact CE-CG2 3.8Å; M29-I54 HydrophobicContact SD-CD1 3.88Å; M30-I54 HydrophobicContact CE-CD1 3.69Å; L39-I54 HydrophobicContact CB-CG2 4.32Å; L39-I54 HydrophobicContact CD1-CG2 4.5Å; L39-I54 HydrophobicContact CD2-CG2 4.03Å; E40-I54 WeakPolarHBondContact O-CA 3.38Å; I41-I54 HydrophobicContact CD1-CD1 4.48Å; I41-I54 HydrophobicContact CG1-CG1 4.14Å; I41-I54 HydrophobicContact CG2-CG1 4.22Å; I52-I54 HydrophobicContact CG2-CG1 4.2Å; I54-I69 CarbonylContact O-C 3.41Å; I54-I69 VanDerWaalsContact O-CA 3.29Å; I54-I69 WeakPolarHBondContact O-CA 3.41Å; I54-C70 PolarHBondContact N-O 3.42Å; I54-C70 PolarHBondContact O-N 3.38Å; I54-F72 HydrophobicContact CD1-CE2 4.18Å |
| 55 | K | 93.7 | Very high | 89 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 10% | 0.096 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.8 | 169.8 | 175.2 | 179.3 | 167.9 | -155.4 | 0 | 108.8 | E40 F42 I69 | E40-K55 HydrophobicContact CB-CB 4.26Å; E40-K55 PolarHBondContact N-O 3.05Å; E40-K55 PolarHBondContact O-N 2.98Å; E40-K55 WeakPolarHBondContact OE2-CD 3.42Å; E40-K55 WeakPolarHBondContact OE2-CE 3.37Å; E40-K55 IonicContact OE2-NZ 2.93Å; E40-K55 PolarHBondContact OE2-NZ 3.3Å; E40-K55 VanDerWaalsContact OE2-NZ 3.09Å; F42-K55 HydrophobicContact CE2-CB 4.16Å; K55-I69 HydrophobicContact CB-CG1 4.39Å; K55-I69 HydrophobicContact CG-CG1 4.39Å |
| 56 | S | 91.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 176.7 | 174.7 | -174 | 0 | 0 | 0 | 0 | 108.9 | L37 P67 A68 | L37-S56 WeakPolarHBondContact CB-OG 3.34Å; S56-P67 WeakPolarHBondContact O-CA 3.1Å; S56-A68 PolarHBondContact N-O 3.27Å; S56-A68 PolarHBondContact O-N 3.33Å |
| 57 | K | 88.1 | Confident | 88.6 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 36% | 0.357 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.3 | 176.3 | -69.1 | 173.9 | 178.1 | 176.7 | 0 | 109.3 | N65 Y66 | K57-N65 HydrophobicContact CB-CB 4.5Å; K57-N65 HydrophobicContact CD-CB 4.2Å; K57-Y66 WeakPolarHBondContact CA-O 3.48Å |
| 58 | C | 81.9 | Confident | 88.6 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 16% | 0.155 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 167.3 | 175.9 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | S64 N65 Y66 | C58-S64 CarbonylContact O-C 3.54Å; C58-N65 CarbonylContact O-C 3.46Å; C58-Y66 PolarHBondContact N-O 3.22Å; C58-Y66 PolarHBondContact O-N 3.07Å |
| 59 | K | 80.6 | Confident | 88.7 | Confident | 82 Ų | 82 | 35.3 Ų | 35.3 | 36% | 0.357 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 128.9 | 166.7 | -172 | 174.4 | -179.3 | 178.6 | 0 | 108.4 | F63 F180 D185 | K59-F63 CarbonylContact C-O 3.54Å; K59-F63 VanDerWaalsContact CA-O 3.28Å; K59-F63 WeakPolarHBondContact CA-O 3.36Å; K59-F180 WeakPolarHBondContact O-CE2 3.49Å; K59-D185 IonicContact NZ-OD2 3.69Å; K59-D185 PolarHBondContact NZ-OD2 3.08Å |
| 60 | W | 79.3 | Confident | 88.7 | Confident | 72 Ų | 72 | 35.4 Ų | 35.4 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 111.7 | 177.8 | -175.1 | -95.7 | 0 | 0 | 0 | 110.4 | N62 F63 Y66 I103 F180 | W60-N62 PolarHBondContact O-N 3.32Å; W60-F63 PolarHBondContact N-O 3.36Å; W60-F63 WeakPolarHBondContact O-CB 3.43Å; W60-F63 PolarHBondContact O-N 2.94Å; W60-F63 VanDerWaalsContact O-N 3.07Å; W60-Y66 HydrophobicContact CB-CD1 3.69Å; W60-Y66 HydrophobicContact CB-CG 3.76Å; W60-Y66 AromaticContact CD1-CD1 3.84Å; W60-Y66 AromaticContact CD1-CE1 3.84Å; W60-Y66 AromaticContact CG-CD1 3.8Å; W60-Y66 HydrophobicContact CG-CD1 3.8Å; W60-Y66 HydrophobicContact CG-CE1 4.17Å; W60-Y66 HydrophobicContact CG-CG 4.22Å; W60-I103 HydrophobicContact CD2-CD1 4.07Å; W60-I103 HydrophobicContact CD2-CG1 4Å; W60-I103 HydrophobicContact CE3-CD1 4.43Å; W60-I103 HydrophobicContact CE3-CG1 4.11Å; W60-I103 HydrophobicContact CH2-CD1 4.05Å; W60-I103 HydrophobicContact CH2-CG1 4.44Å; W60-I103 HydrophobicContact CZ2-CD1 3.64Å; W60-I103 HydrophobicContact CZ2-CG1 4.35Å; W60-I103 HydrophobicContact CZ3-CD1 4.42Å; W60-I103 HydrophobicContact CZ3-CG1 4.32Å; W60-F180 HydrophobicContact CE3-CD1 4.22Å; W60-F180 HydrophobicContact CE3-CD2 4.22Å; W60-F180 HydrophobicContact CE3-CE1 4.15Å; W60-F180 HydrophobicContact CE3-CE2 4.17Å; W60-F180 HydrophobicContact CE3-CG 4.25Å; W60-F180 HydrophobicContact CE3-CZ 4.13Å; W60-F180 HydrophobicContact CH2-CD1 4.47Å; W60-F180 AromaticContact CZ3-CD1 3.79Å; W60-F180 HydrophobicContact CZ3-CD1 3.79Å; W60-F180 AromaticContact CZ3-CE1 3.87Å; W60-F180 HydrophobicContact CZ3-CE1 3.87Å; W60-F180 HydrophobicContact CZ3-CG 4.16Å; W60-F180 HydrophobicContact CZ3-CZ 4.32Å |
| 61 | G | 78.9 | Confident | 88.8 | Confident | 20 Ų | 20 | 34 Ų | 34 | 21% | 0.206 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -129.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111 | F63 E181 | G61-F63 VanDerWaalsContact C-N 3.28Å; G61-F63 PolarHBondContact O-N 3.14Å; G61-E181 PolarHBondContact N-O 3.22Å |
| 62 | N | 79.4 | Confident | 88.7 | Confident | 138 Ų | 138 | 34.5 Ų | 34.5 | 74% | 0.738 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -2.5 | 176.2 | -72 | -53.7 | 0 | 0 | 0 | 114.7 | W60 E181 | W60-N62 PolarHBondContact O-N 3.32Å; N62-E181 PolarHBondContact OD1-OE1 2.91Å; N62-E181 PolarHBondContact OD1-OE2 2.91Å |
| 63 | F | 82.8 | Confident | 88.5 | Confident | 92 Ų | 92 | 35.6 Ų | 35.6 | 40% | 0.404 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.9 | -180 | -60.4 | -73.7 | 0 | 0 | 0 | 110.7 | K59 W60 G61 Y66 Y99 | K59-F63 CarbonylContact C-O 3.54Å; K59-F63 VanDerWaalsContact CA-O 3.28Å; K59-F63 WeakPolarHBondContact CA-O 3.36Å; W60-F63 PolarHBondContact N-O 3.36Å; W60-F63 WeakPolarHBondContact O-CB 3.43Å; W60-F63 PolarHBondContact O-N 2.94Å; W60-F63 VanDerWaalsContact O-N 3.07Å; G61-F63 VanDerWaalsContact C-N 3.28Å; G61-F63 PolarHBondContact O-N 3.14Å; F63-Y66 HydrophobicContact CB-CD2 4.1Å; F63-Y66 HydrophobicContact CB-CG 4.41Å; F63-Y66 AromaticContact CD2-CD2 3.67Å; F63-Y66 HydrophobicContact CD2-CD2 3.67Å; F63-Y66 HydrophobicContact CD2-CE2 4.11Å; F63-Y66 HydrophobicContact CE2-CD2 4.31Å; F63-Y66 HydrophobicContact CE2-CE2 4.34Å; F63-Y66 AromaticContact CG-CD2 3.95Å; F63-Y66 HydrophobicContact CG-CD2 3.95Å; F63-Y99 HydrophobicContact CD1-CD1 4.27Å |
| 64 | S | 82.9 | Confident | 88.3 | Confident | 85 Ų | 85 | 36.4 Ų | 36.4 | 59% | 0.594 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -19.9 | 174.8 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | C58 | C58-S64 CarbonylContact O-C 3.54Å |
| 65 | N | 86.1 | Confident | 87.8 | Confident | 77 Ų | 77 | 42.8 Ų | 42.8 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 34.1 | -171.3 | -73.3 | -53.9 | 0 | 0 | 0 | 112.4 | K57 C58 Y99 | K57-N65 HydrophobicContact CB-CB 4.5Å; K57-N65 HydrophobicContact CD-CB 4.2Å; C58-N65 CarbonylContact O-C 3.46Å; N65-Y99 WeakPolarHBondContact O-CE1 2.99Å; N65-Y99 PolarHBondContact O-OH 3.36Å |
| 66 | Y | 88.3 | Confident | 87.1 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 135 | -179.6 | -163.3 | -108.4 | 0 | 0 | 0 | 110.4 | K57 C58 W60 F63 A68 Y99 G101 F102 I103 Q284 | K57-Y66 WeakPolarHBondContact CA-O 3.48Å; C58-Y66 PolarHBondContact N-O 3.22Å; C58-Y66 PolarHBondContact O-N 3.07Å; W60-Y66 HydrophobicContact CB-CD1 3.69Å; W60-Y66 HydrophobicContact CB-CG 3.76Å; W60-Y66 AromaticContact CD1-CD1 3.84Å; W60-Y66 AromaticContact CD1-CE1 3.84Å; W60-Y66 AromaticContact CG-CD1 3.8Å; W60-Y66 HydrophobicContact CG-CD1 3.8Å; W60-Y66 HydrophobicContact CG-CE1 4.17Å; W60-Y66 HydrophobicContact CG-CG 4.22Å; F63-Y66 HydrophobicContact CB-CD2 4.1Å; F63-Y66 HydrophobicContact CB-CG 4.41Å; F63-Y66 AromaticContact CD2-CD2 3.67Å; F63-Y66 HydrophobicContact CD2-CD2 3.67Å; F63-Y66 HydrophobicContact CD2-CE2 4.11Å; F63-Y66 HydrophobicContact CE2-CD2 4.31Å; F63-Y66 HydrophobicContact CE2-CE2 4.34Å; F63-Y66 AromaticContact CG-CD2 3.95Å; F63-Y66 HydrophobicContact CG-CD2 3.95Å; Y66-A68 PolarHBondContact O-N 3.5Å; Y66-Y99 HydrophobicContact CD2-CD1 4.25Å; Y66-G101 WeakPolarHBondContact CE2-O 3.43Å; Y66-G101 VanDerWaalsContact CZ-C 3.41Å; Y66-G101 WeakPolarHBondContact OH-CA 3.42Å; Y66-G101 PolarHBondContact OH-O 2.95Å; Y66-F102 VanDerWaalsContact CE1-CA 3.42Å; Y66-F102 PolarHBondContact OH-N 2.88Å; Y66-F102 VanDerWaalsContact OH-N 3.08Å; Y66-I103 HydrophobicContact CD1-CG1 4.08Å; Y66-I103 HydrophobicContact CE1-CD1 3.95Å; Y66-I103 HydrophobicContact CE1-CG1 3.78Å; Y66-Q284 PolarHBondContact OH-NE2 2.82Å; Y66-Q284 VanDerWaalsContact OH-NE2 3.08Å |
| 67 | P | 92 | Very high | 86.4 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133.6 | -178.8 | -14.5 | 26.8 | 0 | 0 | 0 | 111.2 | S56 Y99 F102 I103 | S56-P67 WeakPolarHBondContact O-CA 3.1Å; P67-Y99 VanDerWaalsContact CD-CD2 3.44Å; P67-Y99 HydrophobicContact CG-CD2 3.33Å; P67-Y99 HydrophobicContact CG-CE2 3.89Å; P67-Y99 HydrophobicContact CG-CG 3.8Å; P67-F102 HydrophobicContact CB-CB 3.74Å; P67-F102 HydrophobicContact CG-CB 4.25Å; P67-F102 WeakPolarHBondContact O-CA 3.26Å; P67-F102 VanDerWaalsContact O-CB 3.28Å; P67-F102 WeakPolarHBondContact O-CB 3.46Å; P67-I103 PolarHBondContact O-N 3.06Å |
| 68 | A | 92.1 | Very high | 85.9 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S56 Y66 | S56-A68 PolarHBondContact N-O 3.27Å; S56-A68 PolarHBondContact O-N 3.33Å; Y66-A68 PolarHBondContact O-N 3.5Å |
| 69 | I | 94.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.8 | -177.7 | -58.2 | -176.6 | 0 | 0 | 0 | 109.1 | V53 I54 K55 I91 F92 A95 F102 I103 L104 N105 | V53-I69 HydrophobicContact CG1-CG2 3.54Å; I54-I69 CarbonylContact O-C 3.41Å; I54-I69 VanDerWaalsContact O-CA 3.29Å; I54-I69 WeakPolarHBondContact O-CA 3.41Å; K55-I69 HydrophobicContact CB-CG1 4.39Å; K55-I69 HydrophobicContact CG-CG1 4.39Å; I69-I91 HydrophobicContact CD1-CG2 3.96Å; I69-F92 HydrophobicContact CD1-CD1 4.06Å; I69-F92 HydrophobicContact CD1-CE1 4.18Å; I69-F92 HydrophobicContact CG2-CE1 4.03Å; I69-A95 HydrophobicContact CD1-CB 3.8Å; I69-F102 HydrophobicContact CB-CD2 4.22Å; I69-F102 HydrophobicContact CB-CE2 4.5Å; I69-F102 HydrophobicContact CD1-CD1 4.36Å; I69-F102 HydrophobicContact CD1-CD2 3.63Å; I69-F102 HydrophobicContact CD1-CE1 4.49Å; I69-F102 HydrophobicContact CD1-CE2 3.79Å; I69-F102 HydrophobicContact CD1-CG 3.95Å; I69-F102 HydrophobicContact CD1-CZ 4.24Å; I69-F102 HydrophobicContact CG1-CD2 3.96Å; I69-F102 HydrophobicContact CG1-CE2 4.44Å; I69-F102 HydrophobicContact CG1-CG 4.41Å; I69-I103 PolarHBondContact N-O 2.73Å; I69-L104 HydrophobicContact CB-CD1 4.28Å; I69-L104 HydrophobicContact CG2-CD1 4.1Å; I69-L104 CarbonylContact O-C 3.31Å; I69-L104 WeakPolarHBondContact O-CA 3.41Å; I69-N105 PolarHBondContact O-N 3.08Å |
| 70 | C | 94.6 | Very high | 85.7 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.9 | 169.2 | -60.7 | 0 | 0 | 0 | 0 | 108.5 | V53 I54 F72 N105 Y106 | V53-C70 CarbonylContact C-O 3.55Å; V53-C70 WeakPolarHBondContact CA-O 3.46Å; I54-C70 PolarHBondContact N-O 3.42Å; I54-C70 PolarHBondContact O-N 3.38Å; C70-F72 HydrophobicContact CB-CD2 4.37Å; C70-F72 HydrophobicContact CB-CE2 3.44Å; C70-F72 VanDerWaalsContact CB-CE2 3.44Å; C70-F72 HydrophobicContact CB-CZ 3.76Å; C70-N105 WeakPolarHBondContact CA-O 3.48Å; C70-Y106 HydrophobicContact CB-CD2 3.94Å |
| 71 | A | 94.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I52 V53 L78 N105 Y106 W107 | I52-A71 CarbonylContact O-C 3.59Å; V53-A71 HydrophobicContact CG2-CB 4.26Å; A71-L78 HydrophobicContact CB-CD1 4.1Å; A71-L78 HydrophobicContact CB-CD2 4.11Å; A71-L78 WeakPolarHBondContact O-CD1 3.38Å; A71-N105 PolarHBondContact N-O 2.63Å; A71-Y106 VanDerWaalsContact O-CB 3.28Å; A71-Y106 WeakPolarHBondContact O-CB 3.05Å; A71-W107 HydrophobicContact CB-CE3 3.85Å; A71-W107 HydrophobicContact CB-CZ3 3.9Å |
| 72 | F | 94.2 | Very high | 86.7 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 153.8 | 177.7 | -56.4 | -83.3 | 0 | 0 | 0 | 110.6 | V25 L26 M29 V51 I52 I54 C70 Y106 | V25-F72 HydrophobicContact CB-CE1 3.94Å; V25-F72 HydrophobicContact CB-CZ 4.42Å; V25-F72 HydrophobicContact CG1-CE1 4.07Å; V25-F72 HydrophobicContact CG1-CZ 4.12Å; L26-F72 HydrophobicContact CB-CD1 4.19Å; L26-F72 HydrophobicContact CB-CD2 4.28Å; L26-F72 HydrophobicContact CB-CE1 4.38Å; L26-F72 HydrophobicContact CB-CE2 4.45Å; L26-F72 HydrophobicContact CB-CG 4.13Å; L26-F72 HydrophobicContact CB-CZ 4.5Å; L26-F72 HydrophobicContact CD1-CD2 3.94Å; L26-F72 HydrophobicContact CD1-CE2 4.13Å; L26-F72 HydrophobicContact CD2-CB 4.16Å; L26-F72 HydrophobicContact CD2-CD2 4.44Å; L26-F72 HydrophobicContact CD2-CG 4.33Å; L26-F72 HydrophobicContact CG-CD2 4.45Å; M29-F72 HydrophobicContact SD-CE2 3.71Å; M29-F72 HydrophobicContact SD-CZ 3.6Å; M29-F72 VanDerWaalsContact SD-CZ 3.6Å; V51-F72 WeakPolarHBondContact CA-O 3.29Å; I52-F72 HydrophobicContact CB-CB 4.43Å; I52-F72 PolarHBondContact N-O 2.49Å; I52-F72 PolarHBondContact O-N 2.84Å; I54-F72 HydrophobicContact CD1-CE2 4.18Å; C70-F72 HydrophobicContact CB-CD2 4.37Å; C70-F72 HydrophobicContact CB-CE2 3.44Å; C70-F72 VanDerWaalsContact CB-CE2 3.44Å; C70-F72 HydrophobicContact CB-CZ 3.76Å; F72-Y106 HydrophobicContact CD1-CG 4.38Å; F72-Y106 AromaticContact CE1-CD1 3.9Å; F72-Y106 HydrophobicContact CE1-CD1 3.9Å; F72-Y106 AromaticContact CE1-CD2 3.81Å; F72-Y106 HydrophobicContact CE1-CD2 3.81Å; F72-Y106 HydrophobicContact CE1-CE1 4.43Å; F72-Y106 HydrophobicContact CE1-CE2 4.31Å; F72-Y106 AromaticContact CE1-CG 3.58Å; F72-Y106 HydrophobicContact CE1-CG 3.58Å; F72-Y106 AromaticContact CZ-CD2 3.68Å; F72-Y106 HydrophobicContact CZ-CD2 3.68Å; F72-Y106 HydrophobicContact CZ-CE2 4.09Å; F72-Y106 AromaticContact CZ-CG 3.95Å; F72-Y106 HydrophobicContact CZ-CG 3.95Å |
| 73 | S | 92.4 | Very high | 87.2 | Confident | 22 Ų | 22 | 47 Ų | 47 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 134 | 168.2 | 153.5 | 0 | 0 | 0 | 0 | 109.9 | T50 Y75 E76 N77 | T50-S73 CarbonylContact O-C 3.5Å; T50-S73 VanDerWaalsContact O-CA 3.3Å; T50-S73 WeakPolarHBondContact O-CA 3.49Å; S73-Y75 VanDerWaalsContact C-N 3.34Å; S73-Y75 PolarHBondContact OG-N 3.05Å; S73-Y75 VanDerWaalsContact OG-N 3.17Å; S73-E76 PolarHBondContact OG-N 3.18Å; S73-N77 PolarHBondContact OG-N 2.96Å |
| 74 | L | 90.6 | Very high | 87.7 | Confident | 18 Ų | 18 | 42.7 Ų | 42.7 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.5 | 177.1 | -57.5 | -175.7 | 0 | 0 | 0 | 113 | Q15 F19 L26 A49 T50 I52 | Q15-L74 HydrophobicContact CG-CD1 3.99Å; F19-L74 HydrophobicContact CB-CB 4.39Å; F19-L74 HydrophobicContact CB-CD2 4.04Å; F19-L74 HydrophobicContact CD1-CB 3.78Å; F19-L74 WeakPolarHBondContact CD1-O 3.35Å; F19-L74 HydrophobicContact CD2-CB 4Å; F19-L74 HydrophobicContact CD2-CD1 3.7Å; F19-L74 HydrophobicContact CD2-CD2 4.2Å; F19-L74 HydrophobicContact CD2-CG 4.18Å; F19-L74 HydrophobicContact CE1-CB 3.95Å; F19-L74 WeakPolarHBondContact CE1-O 3.31Å; F19-L74 HydrophobicContact CE2-CB 4.19Å; F19-L74 HydrophobicContact CE2-CD1 3.77Å; F19-L74 HydrophobicContact CG-CB 3.79Å; F19-L74 HydrophobicContact CG-CD1 4.32Å; F19-L74 HydrophobicContact CG-CD2 4.17Å; F19-L74 HydrophobicContact CG-CG 4.3Å; F19-L74 HydrophobicContact CZ-CB 4.15Å; F19-L74 HydrophobicContact CZ-CD1 4.41Å; L26-L74 HydrophobicContact CD2-CD2 4.35Å; A49-L74 WeakPolarHBondContact O-CD1 3.39Å; T50-L74 PolarHBondContact O-N 2.89Å; I52-L74 HydrophobicContact CD1-CD1 3.95Å; I52-L74 HydrophobicContact CD1-CD2 4.13Å; I52-L74 HydrophobicContact CD1-CG 3.67Å |
| 75 | Y | 85.1 | Confident | 88.2 | Confident | 135 Ų | 135 | 40.4 Ų | 40.4 | 53% | 0.529 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 32.4 | -176.5 | -64.9 | -89.3 | 0 | 0 | 0 | 113.2 | F19 T50 S73 N77 | F19-Y75 HydrophobicContact CE1-CD1 4.17Å; F19-Y75 HydrophobicContact CE1-CD2 4.18Å; F19-Y75 AromaticContact CE1-CE1 3.69Å; F19-Y75 HydrophobicContact CE1-CE1 3.69Å; F19-Y75 AromaticContact CE1-CE2 3.7Å; F19-Y75 HydrophobicContact CE1-CE2 3.7Å; F19-Y75 HydrophobicContact CE1-CG 4.41Å; F19-Y75 AromaticContact CE1-CZ 3.44Å; F19-Y75 VanDerWaalsContact CE1-CZ 3.44Å; F19-Y75 HydrophobicContact CZ-CE1 4.2Å; F19-Y75 AromaticContact CZ-CE2 3.66Å; F19-Y75 HydrophobicContact CZ-CE2 3.66Å; F19-Y75 AromaticContact CZ-CZ 3.49Å; F19-Y75 VanDerWaalsContact CZ-CZ 3.49Å; F19-Y75 WeakPolarHBondContact CZ-OH 3.4Å; T50-Y75 HydrophobicContact CG2-CD2 3.97Å; T50-Y75 HydrophobicContact CG2-CE2 4.02Å; S73-Y75 VanDerWaalsContact C-N 3.34Å; S73-Y75 PolarHBondContact OG-N 3.05Å; S73-Y75 VanDerWaalsContact OG-N 3.17Å; Y75-N77 PolarHBondContact O-N 3.41Å; Y75-N77 PolarHBondContact O-OD1 3.49Å |
| 76 | E | 79.1 | Confident | 88.6 | Confident | 156 Ų | 156 | 39.5 Ų | 39.5 | 73% | 0.729 | 21% | 0.206 | S | C | * | . | S | Bend | trans | 51.1 | 35.8 | 179.9 | -58.9 | 174.3 | -165.9 | 0 | 0 | 114.2 | S73 | S73-E76 PolarHBondContact OG-N 3.18Š|
| 77 | N | 76.7 | Confident | 88.9 | Confident | 29 Ų | 29 | 39.3 Ų | 39.3 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | trans | -89 | -16.7 | -179.2 | -73.4 | -29.1 | 0 | 0 | 0 | 113.2 | V51 S73 Y75 K80 V83 | V51-N77 HydrophobicContact CG2-CB 4.38Å; S73-N77 PolarHBondContact OG-N 2.96Å; Y75-N77 PolarHBondContact O-N 3.41Å; Y75-N77 PolarHBondContact O-OD1 3.49Å; N77-K80 HydrophobicContact CB-CD 4.4Å; N77-K80 WeakPolarHBondContact O-CB 3.47Å; N77-K80 WeakPolarHBondContact O-CG 3.5Å; N77-K80 PolarHBondContact O-N 3.28Å; N77-K80 VanDerWaalsContact O-N 3.11Å; N77-K80 PolarHBondContact OD1-NZ 3.04Å; N77-V83 HydrophobicContact CB-CG2 4.28Å | ||
| 78 | L | 76.7 | Confident | 88.9 | Confident | 19 Ų | 19 | 39.2 Ų | 39.2 | 10% | 0.099 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 138 | 173.7 | -77 | 176.1 | 0 | 0 | 0 | 110 | V51 A71 K80 V83 I87 W107 P108 | V51-L78 HydrophobicContact CG1-CD2 4.33Å; A71-L78 HydrophobicContact CB-CD1 4.1Å; A71-L78 HydrophobicContact CB-CD2 4.11Å; A71-L78 WeakPolarHBondContact O-CD1 3.38Å; L78-K80 VanDerWaalsContact C-N 3.34Å; L78-V83 HydrophobicContact CD2-CG1 4.23Å; L78-I87 HydrophobicContact CD2-CD1 3.62Å; L78-W107 HydrophobicContact CD2-CH2 4.2Å; L78-W107 HydrophobicContact CD2-CZ3 3.99Å; L78-P108 HydrophobicContact CB-CG 3.7Å |
| 79 | G | 73.5 | Confident | 89 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -7.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | I114 | G79-I114 WeakPolarHBondContact O-CD1 3.39Š|
| 80 | K | 85.1 | Confident | 88.8 | Confident | 111 Ų | 111 | 46.6 Ų | 46.6 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | trans | -73.2 | 137.7 | 165.8 | -64.3 | 179.5 | -176.8 | 172 | 0 | 109.4 | N77 L78 A82 V83 T84 | N77-K80 HydrophobicContact CB-CD 4.4Å; N77-K80 WeakPolarHBondContact O-CB 3.47Å; N77-K80 WeakPolarHBondContact O-CG 3.5Å; N77-K80 PolarHBondContact O-N 3.28Å; N77-K80 VanDerWaalsContact O-N 3.11Å; N77-K80 PolarHBondContact OD1-NZ 3.04Å; L78-K80 VanDerWaalsContact C-N 3.34Å; K80-A82 PolarHBondContact O-N 3.3Å; K80-V83 HydrophobicContact CB-CG2 4.46Å; K80-V83 PolarHBondContact O-N 3.45Å; K80-T84 WeakPolarHBondContact O-CB 3.38Å; K80-T84 PolarHBondContact O-N 3.1Å; K80-T84 PolarHBondContact O-OG1 3.4Å | ||
| 81 | I | 88.9 | Confident | 88.7 | Confident | 104 Ų | 104 | 46.9 Ų | 46.9 | 53% | 0.533 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -53.4 | -49.6 | -175 | -64.7 | 168 | 0 | 0 | 0 | 111.5 | V83 T84 N85 I114 | I81-V83 PolarHBondContact O-N 3.37Å; I81-T84 PolarHBondContact O-N 3.41Å; I81-N85 WeakPolarHBondContact O-CB 3.5Å; I81-N85 VanDerWaalsContact O-CG 3.28Å; I81-N85 PolarHBondContact O-N 3.29Å; I81-N85 PolarHBondContact O-OD1 2.81Å; I81-I114 HydrophobicContact CB-CG2 4.4Å; I81-I114 HydrophobicContact CG1-CD1 4.35Å; I81-I114 HydrophobicContact CG1-CG1 4.42Å; I81-I114 HydrophobicContact CG1-CG2 3.8Å |
| 82 | A | 89.8 | Confident | 88.6 | Confident | 79 Ų | 79 | 46.9 Ų | 46.9 | 65% | 0.653 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.3 | -43.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K80 M86 | K80-A82 PolarHBondContact O-N 3.3Å; A82-M86 WeakPolarHBondContact O-CB 3.47Å; A82-M86 PolarHBondContact O-N 3.13Å; A82-M86 VanDerWaalsContact O-N 3.07Å |
| 83 | V | 91.5 | Very high | 88.1 | Confident | 24 Ų | 24 | 50 Ų | 50 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | V51 N77 L78 K80 I81 M86 I87 | V51-V83 HydrophobicContact CB-CG1 4.49Å; V51-V83 HydrophobicContact CG1-CG1 4.11Å; V51-V83 HydrophobicContact CG2-CG1 3.62Å; V51-V83 HydrophobicContact CG2-CG2 4.32Å; N77-V83 HydrophobicContact CB-CG2 4.28Å; L78-V83 HydrophobicContact CD2-CG1 4.23Å; K80-V83 HydrophobicContact CB-CG2 4.46Å; K80-V83 PolarHBondContact O-N 3.45Å; I81-V83 PolarHBondContact O-N 3.37Å; V83-M86 PolarHBondContact O-N 3.08Å; V83-I87 HydrophobicContact CG1-CD1 4Å; V83-I87 WeakPolarHBondContact O-CG1 3.33Å; V83-I87 PolarHBondContact O-N 2.97Å |
| 84 | T | 93.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 179 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | K80 I81 M86 I87 V88 W107 I114 L115 A118 | K80-T84 WeakPolarHBondContact O-CB 3.38Å; K80-T84 PolarHBondContact O-N 3.1Å; K80-T84 PolarHBondContact O-OG1 3.4Å; I81-T84 PolarHBondContact O-N 3.41Å; T84-M86 VanDerWaalsContact C-N 3.33Å; T84-M86 PolarHBondContact O-N 3.44Å; T84-I87 PolarHBondContact O-N 3.06Å; T84-V88 HydrophobicContact CG2-CG2 4.37Å; T84-V88 VanDerWaalsContact O-CG2 3.28Å; T84-V88 WeakPolarHBondContact O-CG2 3.3Å; T84-V88 PolarHBondContact O-N 3.1Å; T84-W107 HydrophobicContact CG2-CH2 3.94Å; T84-W107 HydrophobicContact CG2-CZ2 3.65Å; T84-I114 HydrophobicContact CG2-CG2 4.18Å; T84-L115 HydrophobicContact CG2-CB 4.21Å; T84-L115 HydrophobicContact CG2-CD1 4.09Å; T84-A118 HydrophobicContact CG2-CB 3.71Å |
| 85 | N | 93.3 | Very high | 87.7 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 20% | 0.203 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 177.4 | -72.7 | 3.6 | 0 | 0 | 0 | 111.8 | I81 I87 V88 Q89 A118 I122 | I81-N85 WeakPolarHBondContact O-CB 3.5Å; I81-N85 VanDerWaalsContact O-CG 3.28Å; I81-N85 PolarHBondContact O-N 3.29Å; I81-N85 PolarHBondContact O-OD1 2.81Å; N85-I87 PolarHBondContact O-N 3.01Å; N85-V88 PolarHBondContact O-N 3.24Å; N85-Q89 WeakPolarHBondContact O-CB 3.11Å; N85-Q89 VanDerWaalsContact O-CG 3.3Å; N85-Q89 WeakPolarHBondContact O-CG 3.18Å; N85-Q89 PolarHBondContact O-N 2.86Å; N85-A118 WeakPolarHBondContact OD1-CB 3.35Å; N85-I122 HydrophobicContact CB-CD1 3.97Å |
| 86 | M | 93.6 | Very high | 87.8 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 28% | 0.281 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.5 | -46.6 | 176.5 | 176.4 | -169.8 | 72.8 | 0 | 0 | 112.1 | M1 D44 V51 A82 V83 T84 S90 | M1-M86 HydrophobicContact CE-CE 4.42Å; M1-M86 HydrophobicContact CG-CE 4.05Å; M1-M86 HydrophobicContact CG-CG 4.27Å; M1-M86 HydrophobicContact CG-SD 4.26Å; M1-M86 HydrophobicContact SD-CE 4.18Å; D44-M86 HydrophobicContact CB-CE 3.86Å; D44-M86 HydrophobicContact CB-SD 4.34Å; V51-M86 HydrophobicContact CG1-CE 4.44Å; A82-M86 WeakPolarHBondContact O-CB 3.47Å; A82-M86 PolarHBondContact O-N 3.13Å; A82-M86 VanDerWaalsContact O-N 3.07Å; V83-M86 PolarHBondContact O-N 3.08Å; T84-M86 VanDerWaalsContact C-N 3.33Å; T84-M86 PolarHBondContact O-N 3.44Å; M86-S90 WeakPolarHBondContact O-CB 3.27Å; M86-S90 PolarHBondContact O-N 3.45Å; M86-S90 PolarHBondContact O-OG 3.32Å |
| 87 | I | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 179 | -65.4 | 168.5 | 0 | 0 | 0 | 110.4 | M1 V51 V53 L78 V83 T84 N85 Q89 S90 I91 F92 W107 | M1-I87 HydrophobicContact SD-CG1 4.04Å; V51-I87 HydrophobicContact CG1-CD1 3.82Å; V51-I87 HydrophobicContact CG1-CG1 4.3Å; V53-I87 HydrophobicContact CG2-CD1 3.98Å; V53-I87 HydrophobicContact CG2-CG1 3.95Å; V53-I87 HydrophobicContact CG2-CG2 4.03Å; L78-I87 HydrophobicContact CD2-CD1 3.62Å; V83-I87 HydrophobicContact CG1-CD1 4Å; V83-I87 WeakPolarHBondContact O-CG1 3.33Å; V83-I87 PolarHBondContact O-N 2.97Å; T84-I87 PolarHBondContact O-N 3.06Å; N85-I87 PolarHBondContact O-N 3.01Å; I87-Q89 PolarHBondContact O-N 3Å; I87-S90 PolarHBondContact O-N 2.85Å; I87-I91 WeakPolarHBondContact O-CB 3.4Å; I87-I91 PolarHBondContact O-N 2.98Å; I87-F92 HydrophobicContact CG2-CD1 3.86Å; I87-F92 HydrophobicContact CG2-CE1 3.34Å; I87-F92 HydrophobicContact CG2-CE2 4.26Å; I87-F92 HydrophobicContact CG2-CG 4.49Å; I87-F92 HydrophobicContact CG2-CZ 3.57Å; I87-F92 PolarHBondContact O-N 3.13Å; I87-W107 HydrophobicContact CD1-CH2 4.05Å; I87-W107 HydrophobicContact CD1-CZ3 3.97Å |
| 88 | V | 93.2 | Very high | 88 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -62 | -47.4 | -178.5 | 174.4 | 0 | 0 | 0 | 0 | 111 | T84 N85 F92 Q93 L115 A118 V119 I122 | T84-V88 HydrophobicContact CG2-CG2 4.37Å; T84-V88 VanDerWaalsContact O-CG2 3.28Å; T84-V88 WeakPolarHBondContact O-CG2 3.3Å; T84-V88 PolarHBondContact O-N 3.1Å; N85-V88 PolarHBondContact O-N 3.24Å; V88-F92 HydrophobicContact CB-CD2 4.37Å; V88-F92 HydrophobicContact CG2-CD2 3.74Å; V88-F92 HydrophobicContact CG2-CE2 4.19Å; V88-F92 HydrophobicContact CG2-CG 4.49Å; V88-F92 PolarHBondContact O-N 3.26Å; V88-Q93 PolarHBondContact O-N 3.26Å; V88-Q93 VanDerWaalsContact O-N 3.15Å; V88-L115 HydrophobicContact CG2-CD1 3.95Å; V88-A118 HydrophobicContact CG2-CB 4.13Å; V88-V119 HydrophobicContact CG1-CG2 4.18Å; V88-V119 HydrophobicContact CG2-CG2 3.92Å; V88-I122 HydrophobicContact CB-CD1 3.8Å; V88-I122 HydrophobicContact CG1-CB 3.84Å; V88-I122 HydrophobicContact CG1-CD1 3.72Å; V88-I122 HydrophobicContact CG1-CG1 4.39Å; V88-I122 HydrophobicContact CG1-CG2 3.81Å |
| 89 | Q | 92.2 | Very high | 88.1 | Confident | 115 Ų | 115 | 50.2 Ų | 50.2 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -64.8 | -43.3 | 179 | -74 | 172.9 | -7.3 | 0 | 0 | 112.6 | N85 I87 I122 | N85-Q89 WeakPolarHBondContact O-CB 3.11Å; N85-Q89 VanDerWaalsContact O-CG 3.3Å; N85-Q89 WeakPolarHBondContact O-CG 3.18Å; N85-Q89 PolarHBondContact O-N 2.86Å; I87-Q89 PolarHBondContact O-N 3Å; Q89-I122 HydrophobicContact CG-CD1 3.8Å; Q89-I122 HydrophobicContact CG-CG1 4.03Å; Q89-I122 HydrophobicContact CG-CG2 3.64Å |
| 90 | S | 91.7 | Very high | 88.7 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -88.2 | -29 | -170.9 | 61.6 | 0 | 0 | 0 | 0 | 114.6 | M1 M86 I87 | M1-S90 WeakPolarHBondContact CG-OG 3.47Å; M86-S90 WeakPolarHBondContact O-CB 3.27Å; M86-S90 PolarHBondContact O-N 3.45Å; M86-S90 PolarHBondContact O-OG 3.32Å; I87-S90 PolarHBondContact O-N 2.85Å |
| 91 | I | 92.9 | Very high | 89 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -120.3 | -49.5 | -172.6 | -52.2 | -60 | 0 | 0 | 0 | 111.9 | M1 F42 V53 I69 I87 D94 A95 | M1-I91 HydrophobicContact SD-CG1 3.97Å; F42-I91 HydrophobicContact CB-CD1 4.01Å; F42-I91 HydrophobicContact CD1-CD1 3.47Å; F42-I91 VanDerWaalsContact CD1-CD1 3.47Å; F42-I91 HydrophobicContact CD2-CD1 3.69Å; F42-I91 HydrophobicContact CE1-CD1 3.76Å; F42-I91 HydrophobicContact CE2-CD1 3.97Å; F42-I91 HydrophobicContact CG-CD1 3.43Å; F42-I91 VanDerWaalsContact CG-CD1 3.43Å; F42-I91 HydrophobicContact CG-CG1 4.45Å; F42-I91 HydrophobicContact CZ-CD1 4Å; V53-I91 HydrophobicContact CG1-CG1 4.34Å; V53-I91 HydrophobicContact CG1-CG2 4.12Å; I69-I91 HydrophobicContact CD1-CG2 3.96Å; I87-I91 WeakPolarHBondContact O-CB 3.4Å; I87-I91 PolarHBondContact O-N 2.98Å; I91-D94 PolarHBondContact O-N 2.64Å; I91-A95 WeakPolarHBondContact O-CB 3.41Å; I91-A95 PolarHBondContact O-N 3.12Å |
| 92 | F | 91.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -71.7 | -41.2 | -167 | -67.7 | 2.9 | 0 | 0 | 0 | 112.6 | I69 I87 V88 D94 A95 C96 F102 L104 W107 L115 V119 | I69-F92 HydrophobicContact CD1-CD1 4.06Å; I69-F92 HydrophobicContact CD1-CE1 4.18Å; I69-F92 HydrophobicContact CG2-CE1 4.03Å; I87-F92 HydrophobicContact CG2-CD1 3.86Å; I87-F92 HydrophobicContact CG2-CE1 3.34Å; I87-F92 HydrophobicContact CG2-CE2 4.26Å; I87-F92 HydrophobicContact CG2-CG 4.49Å; I87-F92 HydrophobicContact CG2-CZ 3.57Å; I87-F92 PolarHBondContact O-N 3.13Å; V88-F92 HydrophobicContact CB-CD2 4.37Å; V88-F92 HydrophobicContact CG2-CD2 3.74Å; V88-F92 HydrophobicContact CG2-CE2 4.19Å; V88-F92 HydrophobicContact CG2-CG 4.49Å; V88-F92 PolarHBondContact O-N 3.26Å; F92-D94 PolarHBondContact O-N 3.18Å; F92-A95 PolarHBondContact O-N 2.63Å; F92-C96 WeakPolarHBondContact O-CB 3.31Å; F92-C96 PolarHBondContact O-N 3Å; F92-F102 HydrophobicContact CB-CE1 3.82Å; F92-F102 HydrophobicContact CB-CZ 3.57Å; F92-F102 HydrophobicContact CD1-CE1 4.41Å; F92-F102 AromaticContact CD1-CE2 3.98Å; F92-F102 HydrophobicContact CD1-CE2 3.98Å; F92-F102 AromaticContact CD1-CZ 3.59Å; F92-F102 HydrophobicContact CD1-CZ 3.59Å; F92-F102 HydrophobicContact CD2-CE2 4.25Å; F92-F102 AromaticContact CD2-CZ 3.6Å; F92-F102 HydrophobicContact CD2-CZ 3.6Å; F92-F102 HydrophobicContact CE1-CE2 4.08Å; F92-F102 HydrophobicContact CE1-CZ 4.12Å; F92-F102 HydrophobicContact CE2-CE2 4.32Å; F92-F102 HydrophobicContact CE2-CZ 4.11Å; F92-F102 HydrophobicContact CG-CE1 4.09Å; F92-F102 HydrophobicContact CG-CE2 4.1Å; F92-F102 AromaticContact CG-CZ 3.32Å; F92-F102 HydrophobicContact CG-CZ 3.32Å; F92-F102 HydrophobicContact CZ-CE2 4.24Å; F92-F102 HydrophobicContact CZ-CZ 4.36Å; F92-L104 HydrophobicContact CE1-CD1 4.32Å; F92-L104 HydrophobicContact CE2-CD2 3.8Å; F92-L104 HydrophobicContact CZ-CD1 3.76Å; F92-L104 HydrophobicContact CZ-CD2 3.72Å; F92-L104 HydrophobicContact CZ-CG 4.37Å; F92-W107 HydrophobicContact CZ-CZ3 4.25Å; F92-L115 HydrophobicContact CD2-CD1 4.32Å; F92-L115 HydrophobicContact CE2-CD1 3.71Å; F92-V119 HydrophobicContact CD2-CG2 4.43Å |
| 93 | Q | 84.1 | Confident | 89.4 | Confident | 77 Ų | 77 | 41.1 Ų | 41.1 | 36% | 0.36 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.8 | -42.6 | 173.9 | -77 | -171.9 | -28.4 | 0 | 0 | 111.2 | V88 C96 K97 I122 | V88-Q93 PolarHBondContact O-N 3.26Å; V88-Q93 VanDerWaalsContact O-N 3.15Å; Q93-C96 PolarHBondContact O-N 2.79Å; Q93-K97 WeakPolarHBondContact O-CG 3.36Å; Q93-K97 PolarHBondContact O-N 3.05Å; Q93-I122 HydrophobicContact CG-CG2 4.15Å; Q93-I122 VanDerWaalsContact NE2-CG2 3.29Å; Q93-I122 PolarHBondContact NE2-O 2.56Å |
| 94 | D | 87.2 | Confident | 89.6 | Confident | 66 Ų | 66 | 40 Ų | 40 | 35% | 0.353 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.5 | -46.1 | 179.5 | -166.5 | 67.5 | 0 | 0 | 0 | 112.3 | I91 F92 C96 K97 | I91-D94 PolarHBondContact O-N 2.64Å; F92-D94 PolarHBondContact O-N 3.18Å; D94-C96 PolarHBondContact O-N 3.02Å; D94-K97 WeakPolarHBondContact O-CB 3.41Å; D94-K97 PolarHBondContact O-N 3.19Å; D94-K97 IonicContact OD1-NZ 2.6Å; D94-K97 PolarHBondContact OD1-NZ 3.39Å |
| 95 | A | 88.5 | Confident | 89.6 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -31.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | I69 I91 F92 F102 | I69-A95 HydrophobicContact CD1-CB 3.8Å; I91-A95 WeakPolarHBondContact O-CB 3.41Å; I91-A95 PolarHBondContact O-N 3.12Å; F92-A95 PolarHBondContact O-N 2.63Å; A95-F102 HydrophobicContact CB-CD1 3.66Å; A95-F102 HydrophobicContact CB-CE1 4.05Å; A95-F102 HydrophobicContact CB-CG 4.26Å |
| 96 | C | 85.8 | Confident | 89.5 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -82.6 | -6 | 175.8 | -79.9 | 0 | 0 | 0 | 0 | 114.8 | F92 Q93 D94 Y99 F102 L127 K287 | F92-C96 WeakPolarHBondContact O-CB 3.31Å; F92-C96 PolarHBondContact O-N 3Å; Q93-C96 PolarHBondContact O-N 2.79Å; D94-C96 PolarHBondContact O-N 3.02Å; C96-Y99 CarbonylContact C-O 3.57Å; C96-Y99 VanDerWaalsContact CA-O 3.28Å; C96-Y99 WeakPolarHBondContact CA-O 3.12Å; C96-F102 VanDerWaalsContact SG-CD1 3.54Å; C96-F102 WeakPolarHBondContact SG-CE1 3.28Å; C96-L127 HydrophobicContact CB-CD1 4.09Å; C96-L127 HydrophobicContact CB-CD2 4Å; C96-K287 WeakPolarHBondContact O-CE 3.32Å; C96-K287 PolarHBondContact O-NZ 3.15Å |
| 97 | K | 83 | Confident | 89.5 | Confident | 133 Ų | 133 | 37.2 Ų | 37.2 | 58% | 0.578 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -69.4 | -52.3 | 177.7 | -73 | 171.3 | -165.1 | 158.7 | 0 | 110.5 | Q93 D94 | Q93-K97 WeakPolarHBondContact O-CG 3.36Å; Q93-K97 PolarHBondContact O-N 3.05Å; D94-K97 WeakPolarHBondContact O-CB 3.41Å; D94-K97 PolarHBondContact O-N 3.19Å; D94-K97 IonicContact OD1-NZ 2.6Å; D94-K97 PolarHBondContact OD1-NZ 3.39Å |
| 98 | D | 78.4 | Confident | 89.5 | Confident | 128 Ų | 128 | 38.1 Ų | 38.1 | 68% | 0.684 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -79.9 | -30.3 | -173.5 | -63.5 | -20.3 | 0 | 0 | 0 | 112.8 | ||
| 99 | Y | 77.6 | Confident | 89.5 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -123.3 | 143.6 | -178.9 | -59.9 | -91.3 | 0 | 0 | 0 | 108.4 | F63 N65 Y66 P67 C96 G101 | F63-Y99 HydrophobicContact CD1-CD1 4.27Å; N65-Y99 WeakPolarHBondContact O-CE1 2.99Å; N65-Y99 PolarHBondContact O-OH 3.36Å; Y66-Y99 HydrophobicContact CD2-CD1 4.25Å; P67-Y99 VanDerWaalsContact CD-CD2 3.44Å; P67-Y99 HydrophobicContact CG-CD2 3.33Å; P67-Y99 HydrophobicContact CG-CE2 3.89Å; P67-Y99 HydrophobicContact CG-CG 3.8Å; C96-Y99 CarbonylContact C-O 3.57Å; C96-Y99 VanDerWaalsContact CA-O 3.28Å; C96-Y99 WeakPolarHBondContact CA-O 3.12Å; Y99-G101 VanDerWaalsContact CB-O 3.29Å; Y99-G101 WeakPolarHBondContact CB-O 3.48Å; Y99-G101 PolarHBondContact O-N 3.17Å |
| 100 | N | 86.4 | Confident | 89.5 | Confident | 102 Ų | 102 | 40.7 Ų | 40.7 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -67.4 | 16.4 | 175.8 | -71.1 | -22.5 | 0 | 0 | 0 | 113.4 | R286 K287 | N100-R286 CarbonylContact O-C 3.53Å; N100-R286 VanDerWaalsContact O-CA 3.24Å; N100-R286 WeakPolarHBondContact O-CA 3.42Å; N100-R286 VanDerWaalsContact O-CB 3.25Å; N100-R286 WeakPolarHBondContact O-CB 3.38Å; N100-K287 HydrophobicContact CB-CD 4.49Å; N100-K287 PolarHBondContact O-N 3.37Å; N100-K287 WeakPolarHBondContact OD1-CD 3.36Å; N100-K287 PolarHBondContact OD1-NZ 3.23Å |
| 101 | G | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | -175 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y66 Y99 V285 | Y66-G101 WeakPolarHBondContact CE2-O 3.43Å; Y66-G101 VanDerWaalsContact CZ-C 3.41Å; Y66-G101 WeakPolarHBondContact OH-CA 3.42Å; Y66-G101 PolarHBondContact OH-O 2.95Å; Y99-G101 VanDerWaalsContact CB-O 3.29Å; Y99-G101 WeakPolarHBondContact CB-O 3.48Å; Y99-G101 PolarHBondContact O-N 3.17Å; G101-V285 CarbonylContact C-O 3.49Å; G101-V285 WeakPolarHBondContact CA-O 3.21Å |
| 102 | F | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 161.5 | 171.5 | 57.2 | -93.3 | 0 | 0 | 0 | 110.6 | Y66 P67 I69 F92 A95 C96 L104 Q284 V285 | Y66-F102 VanDerWaalsContact CE1-CA 3.42Å; Y66-F102 PolarHBondContact OH-N 2.88Å; Y66-F102 VanDerWaalsContact OH-N 3.08Å; P67-F102 HydrophobicContact CB-CB 3.74Å; P67-F102 HydrophobicContact CG-CB 4.25Å; P67-F102 WeakPolarHBondContact O-CA 3.26Å; P67-F102 VanDerWaalsContact O-CB 3.28Å; P67-F102 WeakPolarHBondContact O-CB 3.46Å; I69-F102 HydrophobicContact CB-CD2 4.22Å; I69-F102 HydrophobicContact CB-CE2 4.5Å; I69-F102 HydrophobicContact CD1-CD1 4.36Å; I69-F102 HydrophobicContact CD1-CD2 3.63Å; I69-F102 HydrophobicContact CD1-CE1 4.49Å; I69-F102 HydrophobicContact CD1-CE2 3.79Å; I69-F102 HydrophobicContact CD1-CG 3.95Å; I69-F102 HydrophobicContact CD1-CZ 4.24Å; I69-F102 HydrophobicContact CG1-CD2 3.96Å; I69-F102 HydrophobicContact CG1-CE2 4.44Å; I69-F102 HydrophobicContact CG1-CG 4.41Å; F92-F102 HydrophobicContact CB-CE1 3.82Å; F92-F102 HydrophobicContact CB-CZ 3.57Å; F92-F102 HydrophobicContact CD1-CE1 4.41Å; F92-F102 AromaticContact CD1-CE2 3.98Å; F92-F102 HydrophobicContact CD1-CE2 3.98Å; F92-F102 AromaticContact CD1-CZ 3.59Å; F92-F102 HydrophobicContact CD1-CZ 3.59Å; F92-F102 HydrophobicContact CD2-CE2 4.25Å; F92-F102 AromaticContact CD2-CZ 3.6Å; F92-F102 HydrophobicContact CD2-CZ 3.6Å; F92-F102 HydrophobicContact CE1-CE2 4.08Å; F92-F102 HydrophobicContact CE1-CZ 4.12Å; F92-F102 HydrophobicContact CE2-CE2 4.32Å; F92-F102 HydrophobicContact CE2-CZ 4.11Å; F92-F102 HydrophobicContact CG-CE1 4.09Å; F92-F102 HydrophobicContact CG-CE2 4.1Å; F92-F102 AromaticContact CG-CZ 3.32Å; F92-F102 HydrophobicContact CG-CZ 3.32Å; F92-F102 HydrophobicContact CZ-CE2 4.24Å; F92-F102 HydrophobicContact CZ-CZ 4.36Å; A95-F102 HydrophobicContact CB-CD1 3.66Å; A95-F102 HydrophobicContact CB-CE1 4.05Å; A95-F102 HydrophobicContact CB-CG 4.26Å; C96-F102 VanDerWaalsContact SG-CD1 3.54Å; C96-F102 WeakPolarHBondContact SG-CE1 3.28Å; F102-L104 HydrophobicContact CD2-CB 4.31Å; F102-L104 HydrophobicContact CE2-CB 4.03Å; F102-Q284 WeakPolarHBondContact O-CA 3.18Å; F102-V285 HydrophobicContact CD1-CB 4.26Å; F102-V285 HydrophobicContact CD2-CB 4.3Å; F102-V285 HydrophobicContact CD2-CG2 4.44Å; F102-V285 HydrophobicContact CE1-CB 3.7Å; F102-V285 HydrophobicContact CE1-CG1 3.88Å; F102-V285 HydrophobicContact CE1-CG2 4.34Å; F102-V285 HydrophobicContact CE2-CB 3.74Å; F102-V285 HydrophobicContact CE2-CG2 3.59Å; F102-V285 HydrophobicContact CZ-CB 3.39Å; F102-V285 HydrophobicContact CZ-CG1 3.8Å; F102-V285 HydrophobicContact CZ-CG2 3.51Å; F102-V285 PolarHBondContact N-O 3.23Å; F102-V285 PolarHBondContact O-N 3.07Å |
| 103 | I | 93.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 135.9 | 168.7 | -59.3 | -50.7 | 0 | 0 | 0 | 108.5 | W60 Y66 P67 I69 F132 Q284 | W60-I103 HydrophobicContact CD2-CD1 4.07Å; W60-I103 HydrophobicContact CD2-CG1 4Å; W60-I103 HydrophobicContact CE3-CD1 4.43Å; W60-I103 HydrophobicContact CE3-CG1 4.11Å; W60-I103 HydrophobicContact CH2-CD1 4.05Å; W60-I103 HydrophobicContact CH2-CG1 4.44Å; W60-I103 HydrophobicContact CZ2-CD1 3.64Å; W60-I103 HydrophobicContact CZ2-CG1 4.35Å; W60-I103 HydrophobicContact CZ3-CD1 4.42Å; W60-I103 HydrophobicContact CZ3-CG1 4.32Å; Y66-I103 HydrophobicContact CD1-CG1 4.08Å; Y66-I103 HydrophobicContact CE1-CD1 3.95Å; Y66-I103 HydrophobicContact CE1-CG1 3.78Å; P67-I103 PolarHBondContact O-N 3.06Å; I69-I103 PolarHBondContact N-O 2.73Å; I103-F132 HydrophobicContact CD1-CE2 4.31Å; I103-Q284 HydrophobicContact CD1-CB 4.04Å; I103-Q284 HydrophobicContact CD1-CG 4.17Å |
| 104 | L | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.6 | 175.6 | 175 | 63.5 | 0 | 0 | 0 | 109.7 | I69 F92 F102 W107 L115 L283 V285 | I69-L104 HydrophobicContact CB-CD1 4.28Å; I69-L104 HydrophobicContact CG2-CD1 4.1Å; I69-L104 CarbonylContact O-C 3.31Å; I69-L104 WeakPolarHBondContact O-CA 3.41Å; F92-L104 HydrophobicContact CE1-CD1 4.32Å; F92-L104 HydrophobicContact CE2-CD2 3.8Å; F92-L104 HydrophobicContact CZ-CD1 3.76Å; F92-L104 HydrophobicContact CZ-CD2 3.72Å; F92-L104 HydrophobicContact CZ-CG 4.37Å; F102-L104 HydrophobicContact CD2-CB 4.31Å; F102-L104 HydrophobicContact CE2-CB 4.03Å; L104-W107 HydrophobicContact CD1-CE3 4.3Å; L104-W107 HydrophobicContact CD2-CB 4.28Å; L104-W107 HydrophobicContact CD2-CD2 4.25Å; L104-W107 HydrophobicContact CD2-CE3 3.99Å; L104-W107 HydrophobicContact CD2-CG 4.39Å; L104-W107 HydrophobicContact CG-CB 4.36Å; L104-L115 HydrophobicContact CD2-CD2 3.6Å; L104-L283 HydrophobicContact CB-CB 4.06Å; L104-L283 HydrophobicContact CD2-CD1 3.89Å; L104-L283 HydrophobicContact CG-CB 4.49Å; L104-L283 HydrophobicContact CG-CD1 4.38Å; L104-L283 PolarHBondContact N-O 3.11Å; L104-L283 PolarHBondContact O-N 3.3Å; L104-V285 HydrophobicContact CD2-CG2 4.39Å |
| 105 | N | 93.2 | Very high | 90.8 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 159.5 | 178 | -59.4 | -61.2 | 0 | 0 | 0 | 110.4 | I69 C70 A71 W107 | I69-N105 PolarHBondContact O-N 3.08Å; C70-N105 WeakPolarHBondContact CA-O 3.48Å; A71-N105 PolarHBondContact N-O 2.63Å; N105-W107 PolarHBondContact O-N 3.31Å |
| 106 | Y | 91.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.9 | 22.2 | 178.5 | -58.7 | -80.2 | 0 | 0 | 0 | 115.8 | V25 C70 A71 F72 M216 Y255 F280 | V25-Y106 HydrophobicContact CB-CE1 4.19Å; V25-Y106 HydrophobicContact CG1-CE1 3.82Å; V25-Y106 HydrophobicContact CG1-CE2 3.94Å; V25-Y106 VanDerWaalsContact CG1-CZ 3.41Å; V25-Y106 VanDerWaalsContact CG1-OH 3.23Å; V25-Y106 WeakPolarHBondContact CG1-OH 3.47Å; V25-Y106 HydrophobicContact CG2-CE1 3.78Å; C70-Y106 HydrophobicContact CB-CD2 3.94Å; A71-Y106 VanDerWaalsContact O-CB 3.28Å; A71-Y106 WeakPolarHBondContact O-CB 3.05Å; F72-Y106 HydrophobicContact CD1-CG 4.38Å; F72-Y106 AromaticContact CE1-CD1 3.9Å; F72-Y106 HydrophobicContact CE1-CD1 3.9Å; F72-Y106 AromaticContact CE1-CD2 3.81Å; F72-Y106 HydrophobicContact CE1-CD2 3.81Å; F72-Y106 HydrophobicContact CE1-CE1 4.43Å; F72-Y106 HydrophobicContact CE1-CE2 4.31Å; F72-Y106 AromaticContact CE1-CG 3.58Å; F72-Y106 HydrophobicContact CE1-CG 3.58Å; F72-Y106 AromaticContact CZ-CD2 3.68Å; F72-Y106 HydrophobicContact CZ-CD2 3.68Å; F72-Y106 HydrophobicContact CZ-CE2 4.09Å; F72-Y106 AromaticContact CZ-CG 3.95Å; F72-Y106 HydrophobicContact CZ-CG 3.95Å; Y106-M216 HydrophobicContact CE2-CG 4.14Å; Y106-M216 HydrophobicContact CE2-SD 3.34Å; Y106-M216 WeakPolarHBondContact CE2-SD 3.42Å; Y106-M216 PolarHBondContact OH-SD 2.74Å; Y106-Y255 AromaticContact CE1-CE1 3.79Å; Y106-Y255 HydrophobicContact CE1-CE1 3.79Å; Y106-Y255 HydrophobicContact CE1-CE2 4.14Å; Y106-Y255 AromaticContact CE1-CZ 3.47Å; Y106-Y255 VanDerWaalsContact CE1-CZ 3.47Å; Y106-Y255 WeakPolarHBondContact CE1-OH 3.12Å; Y106-Y255 AromaticContact CZ-CE2 3.89Å; Y106-Y255 AromaticContact CZ-CZ 3.63Å; Y106-Y255 WeakPolarHBondContact OH-CE2 3.41Å; Y106-Y255 PolarHBondContact OH-OH 3.47Å; Y106-F280 HydrophobicContact CD1-CD1 4.42Å; Y106-F280 HydrophobicContact CD1-CD2 4.04Å; Y106-F280 HydrophobicContact CD1-CE2 4.3Å; Y106-F280 HydrophobicContact CD1-CG 4.09Å; Y106-F280 WeakPolarHBondContact O-CD1 3.44Å |
| 107 | W | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 128.4 | 167.2 | -158.2 | -95.5 | 0 | 0 | 0 | 109.4 | A71 L78 T84 I87 F92 L104 N105 L109 G111 L115 F280 A281 L283 | A71-W107 HydrophobicContact CB-CE3 3.85Å; A71-W107 HydrophobicContact CB-CZ3 3.9Å; L78-W107 HydrophobicContact CD2-CH2 4.2Å; L78-W107 HydrophobicContact CD2-CZ3 3.99Å; T84-W107 HydrophobicContact CG2-CH2 3.94Å; T84-W107 HydrophobicContact CG2-CZ2 3.65Å; I87-W107 HydrophobicContact CD1-CH2 4.05Å; I87-W107 HydrophobicContact CD1-CZ3 3.97Å; F92-W107 HydrophobicContact CZ-CZ3 4.25Å; L104-W107 HydrophobicContact CD1-CE3 4.3Å; L104-W107 HydrophobicContact CD2-CB 4.28Å; L104-W107 HydrophobicContact CD2-CD2 4.25Å; L104-W107 HydrophobicContact CD2-CE3 3.99Å; L104-W107 HydrophobicContact CD2-CG 4.39Å; L104-W107 HydrophobicContact CG-CB 4.36Å; N105-W107 PolarHBondContact O-N 3.31Å; W107-L109 PolarHBondContact O-N 3.07Å; W107-G111 VanDerWaalsContact NE1-C 3.32Å; W107-G111 PolarHBondContact NE1-O 3.41Å; W107-L115 HydrophobicContact CD2-CD2 3.9Å; W107-L115 HydrophobicContact CG-CD2 3.96Å; W107-L115 HydrophobicContact CH2-CD1 4.29Å; W107-L115 HydrophobicContact CZ2-CB 3.92Å; W107-L115 HydrophobicContact CZ2-CD1 4.06Å; W107-L115 HydrophobicContact CZ2-CD2 4.41Å; W107-L115 HydrophobicContact CZ2-CG 4.33Å; W107-F280 CarbonylContact O-C 3.55Å; W107-F280 WeakPolarHBondContact O-CA 3.49Å; W107-A281 PolarHBondContact O-N 3.07Å; W107-L283 HydrophobicContact CB-CD1 3.73Å; W107-L283 HydrophobicContact CG-CD1 4.06Å |
| 108 | P | 93.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 135.7 | 178.6 | 25.7 | -34.1 | 0 | 0 | 0 | 110.1 | L78 S110 G111 | L78-P108 HydrophobicContact CB-CG 3.7Å; P108-S110 PolarHBondContact O-N 3.36Å; P108-G111 PolarHBondContact O-N 3.39Å |
| 109 | L | 93.4 | Very high | 92.9 | Very high | 59 Ų | 59 | 37.4 Ų | 37.4 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -55.8 | -39 | -178.6 | -179.2 | 62.8 | 0 | 0 | 0 | 111.8 | W107 G111 I112 Y131 E279 | W107-L109 PolarHBondContact O-N 3.07Å; L109-G111 PolarHBondContact O-N 3.24Å; L109-I112 HydrophobicContact CD1-CD1 3.59Å; L109-I112 WeakPolarHBondContact O-CG1 3.41Å; L109-I112 PolarHBondContact O-N 3.19Å; L109-Y131 HydrophobicContact CD1-CE2 3.97Å; L109-E279 HydrophobicContact CB-CB 4.33Å; L109-E279 HydrophobicContact CB-CG 4.27Å; L109-E279 WeakPolarHBondContact CB-O 3.42Å; L109-E279 HydrophobicContact CD2-CB 4.36Å; L109-E279 VanDerWaalsContact CD2-CD 3.42Å; L109-E279 HydrophobicContact CD2-CG 3.82Å; L109-E279 WeakPolarHBondContact CD2-OE1 3.42Å; L109-E279 PolarHBondContact N-O 2.78Å |
| 110 | S | 91.7 | Very high | 93.7 | Very high | 111 Ų | 111 | 41.7 Ų | 41.7 | 78% | 0.776 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -63.5 | -19.3 | 176.5 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | P108 | P108-S110 PolarHBondContact O-N 3.36Š|
| 111 | G | 93.3 | Very high | 94 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -98 | 3.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | W107 P108 L109 L115 | W107-G111 VanDerWaalsContact NE1-C 3.32Å; W107-G111 PolarHBondContact NE1-O 3.41Å; P108-G111 PolarHBondContact O-N 3.39Å; L109-G111 PolarHBondContact O-N 3.24Å; G111-L115 WeakPolarHBondContact O-CB 3.39Å; G111-L115 PolarHBondContact O-N 3.38Å |
| 112 | I | 95 | Very high | 93.9 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | -174.7 | -68.4 | -179.3 | 0 | 0 | 0 | 112.2 | L109 I114 L115 K116 Y131 A281 L283 | L109-I112 HydrophobicContact CD1-CD1 3.59Å; L109-I112 WeakPolarHBondContact O-CG1 3.41Å; L109-I112 PolarHBondContact O-N 3.19Å; I112-I114 VanDerWaalsContact C-N 3.35Å; I112-I114 PolarHBondContact O-N 3.31Å; I112-L115 WeakPolarHBondContact O-CB 3.42Å; I112-L115 PolarHBondContact O-N 3.2Å; I112-L115 VanDerWaalsContact O-N 3.17Å; I112-K116 HydrophobicContact CG2-CD 4.02Å; I112-K116 HydrophobicContact CG2-CG 4.29Å; I112-K116 WeakPolarHBondContact O-CG 3.36Å; I112-K116 PolarHBondContact O-N 3.4Å; I112-Y131 HydrophobicContact CD1-CD2 3.55Å; I112-Y131 HydrophobicContact CD1-CE2 3.74Å; I112-A281 HydrophobicContact CD1-CB 3.59Å; I112-A281 HydrophobicContact CG1-CB 4.07Å; I112-L283 HydrophobicContact CD1-CD2 4.14Å; I112-L283 HydrophobicContact CG1-CD2 4.49Å |
| 113 | D | 95.1 | Very high | 93.6 | Very high | 111 Ų | 111 | 45.4 Ų | 45.4 | 59% | 0.594 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.6 | -42.1 | -175.2 | -68.8 | -26.8 | 0 | 0 | 0 | 110.9 | L115 K116 E117 | D113-L115 VanDerWaalsContact C-N 3.29Å; D113-L115 PolarHBondContact O-N 2.93Å; D113-K116 WeakPolarHBondContact O-CB 3.05Å; D113-K116 PolarHBondContact O-N 3.01Å; D113-E117 WeakPolarHBondContact O-CG 3.49Å; D113-E117 PolarHBondContact O-N 3.22Å |
| 114 | I | 95.3 | Very high | 93.5 | Very high | 49 Ų | 49 | 53 Ų | 53 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 173 | -66.9 | 170.1 | 0 | 0 | 0 | 110.8 | G79 I81 T84 I112 E117 A118 | G79-I114 WeakPolarHBondContact O-CD1 3.39Å; I81-I114 HydrophobicContact CB-CG2 4.4Å; I81-I114 HydrophobicContact CG1-CD1 4.35Å; I81-I114 HydrophobicContact CG1-CG1 4.42Å; I81-I114 HydrophobicContact CG1-CG2 3.8Å; T84-I114 HydrophobicContact CG2-CG2 4.18Å; I112-I114 VanDerWaalsContact C-N 3.35Å; I112-I114 PolarHBondContact O-N 3.31Å; I114-E117 PolarHBondContact O-N 3.13Å; I114-A118 VanDerWaalsContact O-CB 3.29Å; I114-A118 WeakPolarHBondContact O-CB 3.35Å; I114-A118 PolarHBondContact O-N 3.17Å |
| 115 | L | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.3 | 173 | 65.1 | 0 | 0 | 0 | 112.5 | T84 V88 F92 L104 W107 G111 I112 D113 E117 A118 V119 V129 L283 | T84-L115 HydrophobicContact CG2-CB 4.21Å; T84-L115 HydrophobicContact CG2-CD1 4.09Å; V88-L115 HydrophobicContact CG2-CD1 3.95Å; F92-L115 HydrophobicContact CD2-CD1 4.32Å; F92-L115 HydrophobicContact CE2-CD1 3.71Å; L104-L115 HydrophobicContact CD2-CD2 3.6Å; W107-L115 HydrophobicContact CD2-CD2 3.9Å; W107-L115 HydrophobicContact CG-CD2 3.96Å; W107-L115 HydrophobicContact CH2-CD1 4.29Å; W107-L115 HydrophobicContact CZ2-CB 3.92Å; W107-L115 HydrophobicContact CZ2-CD1 4.06Å; W107-L115 HydrophobicContact CZ2-CD2 4.41Å; W107-L115 HydrophobicContact CZ2-CG 4.33Å; G111-L115 WeakPolarHBondContact O-CB 3.39Å; G111-L115 PolarHBondContact O-N 3.38Å; I112-L115 WeakPolarHBondContact O-CB 3.42Å; I112-L115 PolarHBondContact O-N 3.2Å; I112-L115 VanDerWaalsContact O-N 3.17Å; D113-L115 VanDerWaalsContact C-N 3.29Å; D113-L115 PolarHBondContact O-N 2.93Å; L115-E117 VanDerWaalsContact C-N 3.33Å; L115-E117 PolarHBondContact O-N 2.99Å; L115-A118 PolarHBondContact O-N 3.42Å; L115-V119 HydrophobicContact CD1-CG2 3.72Å; L115-V119 HydrophobicContact CG-CG2 4.3Å; L115-V119 WeakPolarHBondContact O-CB 3.25Å; L115-V119 VanDerWaalsContact O-CG2 3.3Å; L115-V119 WeakPolarHBondContact O-CG2 3.4Å; L115-V119 PolarHBondContact O-N 3Å; L115-V129 HydrophobicContact CD2-CG1 4.14Å; L115-V129 HydrophobicContact CG-CG2 4.24Å; L115-L283 HydrophobicContact CD2-CD1 3.61Å |
| 116 | K | 96.1 | Very high | 92.9 | Very high | 87 Ų | 87 | 57.6 Ų | 57.6 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 177.5 | -78.3 | 172.1 | 178 | 171 | 0 | 111.3 | I112 D113 K120 V129 | I112-K116 HydrophobicContact CG2-CD 4.02Å; I112-K116 HydrophobicContact CG2-CG 4.29Å; I112-K116 WeakPolarHBondContact O-CG 3.36Å; I112-K116 PolarHBondContact O-N 3.4Å; D113-K116 WeakPolarHBondContact O-CB 3.05Å; D113-K116 PolarHBondContact O-N 3.01Å; K116-K120 VanDerWaalsContact O-CB 3.23Å; K116-K120 WeakPolarHBondContact O-CB 3.34Å; K116-K120 PolarHBondContact O-N 3.31Å; K116-V129 HydrophobicContact CG-CB 3.93Å; K116-V129 HydrophobicContact CG-CG1 4.49Å; K116-V129 HydrophobicContact CG-CG2 4.28Å |
| 117 | E | 95.6 | Very high | 93 | Very high | 131 Ų | 131 | 57.8 Ų | 57.8 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.3 | -51 | 176.2 | -72.1 | 179.3 | 174.7 | 0 | 0 | 111.2 | D113 I114 L115 V119 K120 E121 | D113-E117 WeakPolarHBondContact O-CG 3.49Å; D113-E117 PolarHBondContact O-N 3.22Å; I114-E117 PolarHBondContact O-N 3.13Å; L115-E117 VanDerWaalsContact C-N 3.33Å; L115-E117 PolarHBondContact O-N 2.99Å; E117-V119 PolarHBondContact O-N 3.32Å; E117-K120 PolarHBondContact O-N 3.49Å; E117-E121 WeakPolarHBondContact O-CB 3.03Å; E117-E121 PolarHBondContact O-N 2.73Å |
| 118 | A | 95.2 | Very high | 93 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T84 N85 V88 I114 L115 K120 E121 I122 | T84-A118 HydrophobicContact CG2-CB 3.71Å; N85-A118 WeakPolarHBondContact OD1-CB 3.35Å; V88-A118 HydrophobicContact CG2-CB 4.13Å; I114-A118 VanDerWaalsContact O-CB 3.29Å; I114-A118 WeakPolarHBondContact O-CB 3.35Å; I114-A118 PolarHBondContact O-N 3.17Å; L115-A118 PolarHBondContact O-N 3.42Å; A118-K120 PolarHBondContact O-N 2.84Å; A118-E121 PolarHBondContact O-N 3.38Å; A118-I122 HydrophobicContact CB-CD1 4.28Å; A118-I122 VanDerWaalsContact O-CB 3.24Å; A118-I122 WeakPolarHBondContact O-CB 3.45Å; A118-I122 WeakPolarHBondContact O-CD1 3.48Å; A118-I122 WeakPolarHBondContact O-CG1 3.38Å; A118-I122 PolarHBondContact O-N 3.43Å |
| 119 | V | 94.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 177 | 169 | 0 | 0 | 0 | 0 | 110.5 | V88 F92 L115 E117 S123 L127 V129 V285 | V88-V119 HydrophobicContact CG1-CG2 4.18Å; V88-V119 HydrophobicContact CG2-CG2 3.92Å; F92-V119 HydrophobicContact CD2-CG2 4.43Å; L115-V119 HydrophobicContact CD1-CG2 3.72Å; L115-V119 HydrophobicContact CG-CG2 4.3Å; L115-V119 WeakPolarHBondContact O-CB 3.25Å; L115-V119 VanDerWaalsContact O-CG2 3.3Å; L115-V119 WeakPolarHBondContact O-CG2 3.4Å; L115-V119 PolarHBondContact O-N 3Å; E117-V119 PolarHBondContact O-N 3.32Å; V119-S123 WeakPolarHBondContact O-CB 3.21Å; V119-S123 PolarHBondContact O-N 2.87Å; V119-S123 PolarHBondContact O-OG 3.47Å; V119-L127 HydrophobicContact CG1-CB 3.55Å; V119-L127 HydrophobicContact CG1-CD1 4.5Å; V119-V129 HydrophobicContact CB-CG2 3.9Å; V119-V129 HydrophobicContact CG1-CG2 4Å; V119-V129 HydrophobicContact CG2-CG2 3.81Å; V119-V285 HydrophobicContact CG1-CG1 4.27Å |
| 120 | K | 93.1 | Very high | 93.2 | Very high | 140 Ų | 140 | 59.4 Ų | 59.4 | 61% | 0.609 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.3 | -46.4 | 178.8 | -178.8 | -175.8 | 174.4 | -172.6 | 0 | 111.7 | K116 E117 A118 E124 G125 | K116-K120 VanDerWaalsContact O-CB 3.23Å; K116-K120 WeakPolarHBondContact O-CB 3.34Å; K116-K120 PolarHBondContact O-N 3.31Å; E117-K120 PolarHBondContact O-N 3.49Å; A118-K120 PolarHBondContact O-N 2.84Å; K120-E124 PolarHBondContact O-N 2.87Å; K120-G125 PolarHBondContact O-N 2.84Å |
| 121 | E | 93.2 | Very high | 93.3 | Very high | 146 Ų | 146 | 58.8 Ų | 58.8 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.3 | -53 | -178.2 | -173.5 | -180 | 165.2 | 0 | 0 | 111.5 | E117 A118 S123 E124 | E117-E121 WeakPolarHBondContact O-CB 3.03Å; E117-E121 PolarHBondContact O-N 2.73Å; A118-E121 PolarHBondContact O-N 3.38Å; E121-S123 PolarHBondContact O-N 3.48Å; E121-E124 PolarHBondContact O-N 3.28Å |
| 122 | I | 91.1 | Very high | 93.2 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.1 | -31 | -173.4 | -67.8 | 158.6 | 0 | 0 | 0 | 112 | N85 V88 Q89 Q93 A118 E124 | N85-I122 HydrophobicContact CB-CD1 3.97Å; V88-I122 HydrophobicContact CB-CD1 3.8Å; V88-I122 HydrophobicContact CG1-CB 3.84Å; V88-I122 HydrophobicContact CG1-CD1 3.72Å; V88-I122 HydrophobicContact CG1-CG1 4.39Å; V88-I122 HydrophobicContact CG1-CG2 3.81Å; Q89-I122 HydrophobicContact CG-CD1 3.8Å; Q89-I122 HydrophobicContact CG-CG1 4.03Å; Q89-I122 HydrophobicContact CG-CG2 3.64Å; Q93-I122 HydrophobicContact CG-CG2 4.15Å; Q93-I122 VanDerWaalsContact NE2-CG2 3.29Å; Q93-I122 PolarHBondContact NE2-O 2.56Å; A118-I122 HydrophobicContact CB-CD1 4.28Å; A118-I122 VanDerWaalsContact O-CB 3.24Å; A118-I122 WeakPolarHBondContact O-CB 3.45Å; A118-I122 WeakPolarHBondContact O-CD1 3.48Å; A118-I122 WeakPolarHBondContact O-CG1 3.38Å; A118-I122 PolarHBondContact O-N 3.43Å; I122-E124 VanDerWaalsContact C-N 3.31Å |
| 123 | S | 87.4 | Confident | 93.2 | Very high | 10 Ų | 10 | 63.9 Ų | 63.9 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 6.1 | 175.8 | 73.6 | 0 | 0 | 0 | 0 | 114.1 | V119 E121 G125 N126 L127 | V119-S123 WeakPolarHBondContact O-CB 3.21Å; V119-S123 PolarHBondContact O-N 2.87Å; V119-S123 PolarHBondContact O-OG 3.47Å; E121-S123 PolarHBondContact O-N 3.48Å; S123-G125 PolarHBondContact O-N 3.12Å; S123-N126 VanDerWaalsContact O-CB 3.25Å; S123-N126 WeakPolarHBondContact O-CB 3.42Å; S123-N126 PolarHBondContact O-N 2.83Å; S123-N126 VanDerWaalsContact O-N 3.08Å; S123-N126 PolarHBondContact O-ND2 3.03Å; S123-L127 WeakPolarHBondContact OG-CB 3.46Å; S123-L127 PolarHBondContact OG-N 3.38Å; S123-L127 VanDerWaalsContact OG-N 3.07Å |
| 124 | E | 90.2 | Very high | 93.2 | Very high | 170 Ų | 170 | 59.1 Ų | 59.1 | 79% | 0.794 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 34.8 | -174.8 | -57.6 | 177.6 | -172.7 | 0 | 0 | 112.4 | K120 E121 I122 N126 | K120-E124 PolarHBondContact O-N 2.87Å; E121-E124 PolarHBondContact O-N 3.28Å; I122-E124 VanDerWaalsContact C-N 3.31Å; E124-N126 VanDerWaalsContact C-N 3.29Å; E124-N126 PolarHBondContact O-N 3.2Å |
| 125 | G | 87.6 | Confident | 93.2 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 0.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K120 S123 L127 K288 | K120-G125 PolarHBondContact O-N 2.84Å; S123-G125 PolarHBondContact O-N 3.12Å; G125-L127 VanDerWaalsContact C-N 3.33Å; G125-L127 PolarHBondContact O-N 2.79Å; G125-K288 WeakPolarHBondContact O-CD 2.97Å; G125-K288 WeakPolarHBondContact O-CE 3.43Å; G125-K288 PolarHBondContact O-NZ 2.83Å |
| 126 | N | 89 | Confident | 93.2 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | trans | -72 | -24.5 | -178 | -67.7 | -53.5 | 0 | 0 | 0 | 113.7 | S123 E124 K287 K288 | S123-N126 VanDerWaalsContact O-CB 3.25Å; S123-N126 WeakPolarHBondContact O-CB 3.42Å; S123-N126 PolarHBondContact O-N 2.83Å; S123-N126 VanDerWaalsContact O-N 3.08Å; S123-N126 PolarHBondContact O-ND2 3.03Å; E124-N126 VanDerWaalsContact C-N 3.29Å; E124-N126 PolarHBondContact O-N 3.2Å; N126-K287 WeakPolarHBondContact O-CA 3.38Å; N126-K288 PolarHBondContact O-N 2.89Å | ||
| 127 | L | 92.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 154.9 | 177.8 | -57.1 | -178.8 | 0 | 0 | 0 | 111.6 | C96 V119 S123 G125 V285 R286 K287 | C96-L127 HydrophobicContact CB-CD1 4.09Å; C96-L127 HydrophobicContact CB-CD2 4Å; V119-L127 HydrophobicContact CG1-CB 3.55Å; V119-L127 HydrophobicContact CG1-CD1 4.5Å; S123-L127 WeakPolarHBondContact OG-CB 3.46Å; S123-L127 PolarHBondContact OG-N 3.38Å; S123-L127 VanDerWaalsContact OG-N 3.07Å; G125-L127 VanDerWaalsContact C-N 3.33Å; G125-L127 PolarHBondContact O-N 2.79Å; L127-V285 HydrophobicContact CB-CG1 4.38Å; L127-V285 HydrophobicContact CD1-CG1 4.27Å; L127-R286 CarbonylContact C-O 3.49Å; L127-R286 VanDerWaalsContact CA-O 3.29Å; L127-R286 WeakPolarHBondContact CA-O 3.15Å; L127-K287 HydrophobicContact CD2-CB 4.32Å; L127-K287 HydrophobicContact CD2-CG 3.67Å |
| 128 | E | 94.5 | Very high | 93.2 | Very high | 57 Ų | 57 | 50 Ų | 50 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 155.7 | 170.7 | 63.4 | 177.5 | 175.6 | 0 | 0 | 111.5 | I130 V285 R286 K288 | E128-I130 HydrophobicContact CG-CG1 4.48Å; E128-V285 WeakPolarHBondContact O-CA 3.41Å; E128-R286 HydrophobicContact CG-CG 3.84Å; E128-R286 PolarHBondContact N-O 3.41Å; E128-R286 PolarHBondContact O-N 3.05Å; E128-R286 IonicContact OE1-CZ 3.89Å; E128-R286 VanDerWaalsContact OE1-CZ 3.24Å; E128-R286 IonicContact OE1-NE 2.93Å; E128-R286 PolarHBondContact OE1-NE 2.84Å; E128-R286 IonicContact OE1-NH2 2.6Å; E128-R286 PolarHBondContact OE1-NH2 3.26Å; E128-K288 HydrophobicContact CB-CG 3.88Å; E128-K288 HydrophobicContact CG-CG 3.92Å |
| 129 | V | 96.1 | Very high | 93.4 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.3 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | L115 K116 V119 L283 V285 | L115-V129 HydrophobicContact CD2-CG1 4.14Å; L115-V129 HydrophobicContact CG-CG2 4.24Å; K116-V129 HydrophobicContact CG-CB 3.93Å; K116-V129 HydrophobicContact CG-CG1 4.49Å; K116-V129 HydrophobicContact CG-CG2 4.28Å; V119-V129 HydrophobicContact CB-CG2 3.9Å; V119-V129 HydrophobicContact CG1-CG2 4Å; V119-V129 HydrophobicContact CG2-CG2 3.81Å; V129-L283 HydrophobicContact CG1-CB 4.36Å; V129-L283 HydrophobicContact CG1-CD1 4.16Å; V129-L283 HydrophobicContact CG1-CD2 4.2Å; V129-L283 HydrophobicContact CG1-CG 4.48Å; V129-V285 HydrophobicContact CG2-CG2 4.3Å |
| 130 | I | 95.2 | Very high | 93.6 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.1 | 178.3 | -61.7 | 172.1 | 0 | 0 | 0 | 108.5 | E128 F132 L283 Q284 R286 | E128-I130 HydrophobicContact CG-CG1 4.48Å; I130-F132 HydrophobicContact CG2-CD1 4.04Å; I130-F132 HydrophobicContact CG2-CE1 3.61Å; I130-F132 HydrophobicContact CG2-CZ 4.12Å; I130-L283 CarbonylContact O-C 3.59Å; I130-L283 WeakPolarHBondContact O-CA 3.3Å; I130-Q284 HydrophobicContact CB-CB 4.28Å; I130-Q284 PolarHBondContact N-O 2.74Å; I130-Q284 PolarHBondContact O-N 3.3Å; I130-R286 HydrophobicContact CD1-CG 3.88Å |
| 131 | Y | 94.9 | Very high | 93.8 | Very high | 97 Ų | 97 | 45.5 Ų | 45.5 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.1 | 176.4 | 174.7 | -100.5 | 0 | 0 | 0 | 110.1 | L109 I112 G133 S134 A281 L283 | L109-Y131 HydrophobicContact CD1-CE2 3.97Å; I112-Y131 HydrophobicContact CD1-CD2 3.55Å; I112-Y131 HydrophobicContact CD1-CE2 3.74Å; Y131-G133 VanDerWaalsContact CE2-C 3.48Å; Y131-G133 WeakPolarHBondContact CE2-O 3.35Å; Y131-G133 VanDerWaalsContact CZ-CA 3.42Å; Y131-G133 VanDerWaalsContact OH-C 3.22Å; Y131-S134 WeakPolarHBondContact OH-CB 3.23Å; Y131-S134 PolarHBondContact OH-N 2.9Å; Y131-S134 PolarHBondContact OH-OG 3.43Å; Y131-A281 HydrophobicContact CD2-CB 4.22Å; Y131-A281 HydrophobicContact CE2-CB 4.02Å; Y131-L283 HydrophobicContact CD2-CD2 3.72Å; Y131-L283 HydrophobicContact CG-CD2 4.39Å |
| 132 | F | 91.3 | Very high | 93.9 | Very high | 103 Ų | 103 | 41.4 Ų | 41.4 | 45% | 0.452 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -29.3 | 176 | -60.7 | -51.7 | 0 | 0 | 0 | 113 | I103 I130 W282 Q284 | I103-F132 HydrophobicContact CD1-CE2 4.31Å; I130-F132 HydrophobicContact CG2-CD1 4.04Å; I130-F132 HydrophobicContact CG2-CE1 3.61Å; I130-F132 HydrophobicContact CG2-CZ 4.12Å; F132-W282 HydrophobicContact CB-CB 4.34Å; F132-W282 PolarHBondContact N-O 3.2Å; F132-Q284 HydrophobicContact CE2-CB 3.53Å; F132-Q284 HydrophobicContact CZ-CB 3.54Å |
| 133 | G | 93.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | -171.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y131 A281 W282 | Y131-G133 VanDerWaalsContact CE2-C 3.48Å; Y131-G133 WeakPolarHBondContact CE2-O 3.35Å; Y131-G133 VanDerWaalsContact CZ-CA 3.42Å; Y131-G133 VanDerWaalsContact OH-C 3.22Å; G133-A281 WeakPolarHBondContact O-CA 3.32Å; G133-W282 PolarHBondContact O-N 3.37Å |
| 134 | S | 95.5 | Very high | 94.7 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 163.9 | -179.1 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | Y131 P258 E279 F280 | Y131-S134 WeakPolarHBondContact OH-CB 3.23Å; Y131-S134 PolarHBondContact OH-N 2.9Å; Y131-S134 PolarHBondContact OH-OG 3.43Å; S134-P258 WeakPolarHBondContact O-CD 3.39Å; S134-E279 WeakPolarHBondContact CB-OE1 3.44Å; S134-E279 PolarHBondContact OG-OE1 2.6Å; S134-F280 CarbonylContact C-O 3.56Å; S134-F280 WeakPolarHBondContact CA-O 3.23Å; S134-F280 WeakPolarHBondContact CB-O 3.45Å |
| 135 | T | 95.4 | Very high | 95 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 141.6 | 175.8 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | V257 E279 F280 W282 | T135-V257 HydrophobicContact CG2-CG2 3.9Å; T135-E279 WeakPolarHBondContact O-CA 3.37Å; T135-F280 PolarHBondContact N-O 3.39Å; T135-F280 PolarHBondContact O-N 2.58Å; T135-W282 HydrophobicContact CG2-CD2 4.42Å; T135-W282 HydrophobicContact CG2-CH2 3.68Å; T135-W282 HydrophobicContact CG2-CZ2 3.22Å; T135-W282 HydrophobicContact CG2-CZ3 4.43Å |
| 136 | R | 95.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 142.5 | 167.9 | -65.6 | 173.8 | 76.1 | -173.7 | 19.2 | 109.7 | F138 Y255 V256 P258 M264 E275 E279 | R136-F138 HydrophobicContact CB-CE2 3.89Å; R136-F138 HydrophobicContact CB-CZ 4.44Å; R136-Y255 WeakPolarHBondContact O-CA 3.36Å; R136-V256 PolarHBondContact N-O 3.04Å; R136-V256 PolarHBondContact O-N 3.22Å; R136-P258 HydrophobicContact CG-CG 4.29Å; R136-M264 HydrophobicContact CB-CE 4.27Å; R136-M264 HydrophobicContact CG-CE 4.41Å; R136-E275 IonicContact CZ-OE1 2.83Å; R136-E275 IonicContact CZ-OE2 3.9Å; R136-E275 IonicContact NE-OE1 2.98Å; R136-E275 PolarHBondContact NE-OE1 3.49Å; R136-E275 IonicContact NE-OE2 3.21Å; R136-E275 IonicContact NH1-OE2 2.64Å; R136-E275 IonicContact NH2-OE1 2.74Å; R136-E275 PolarHBondContact NH2-OE1 3.5Å; R136-E275 IonicContact NH2-OE2 3.74Å; R136-E275 PolarHBondContact NH2-OE2 2.81Å; R136-E279 HydrophobicContact CG-CB 4.44Å; R136-E279 HydrophobicContact CG-CG 4.32Å |
| 137 | T | 95.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134 | -177 | -49.9 | 0 | 0 | 0 | 0 | 111.8 | Y255 I276 E278 F280 | T137-Y255 HydrophobicContact CG2-CD1 4.03Å; T137-Y255 HydrophobicContact CG2-CE1 3.53Å; T137-Y255 WeakPolarHBondContact OG1-CD1 3.36Å; T137-Y255 WeakPolarHBondContact OG1-CE1 3.45Å; T137-I276 HydrophobicContact CG2-CD1 3.52Å; T137-I276 HydrophobicContact CG2-CG1 4.22Å; T137-I276 PolarHBondContact O-N 2.87Å; T137-E278 PolarHBondContact N-O 2.97Å; T137-F280 WeakPolarHBondContact OG1-CD2 3.48Å; T137-F280 WeakPolarHBondContact OG1-CE2 3.41Å |
| 138 | F | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.4 | 175.2 | -62.6 | -94.3 | 0 | 0 | 0 | 110.4 | R136 C253 K254 V256 M264 T267 M268 W273 K274 E275 | R136-F138 HydrophobicContact CB-CE2 3.89Å; R136-F138 HydrophobicContact CB-CZ 4.44Å; F138-C253 CarbonylContact O-C 3.55Å; F138-C253 WeakPolarHBondContact O-CA 3.4Å; F138-C253 WeakPolarHBondContact O-CB 3.37Å; F138-K254 HydrophobicContact CB-CG 4.04Å; F138-K254 PolarHBondContact N-O 3.44Å; F138-K254 PolarHBondContact O-N 3.17Å; F138-V256 HydrophobicContact CD2-CB 4.45Å; F138-V256 HydrophobicContact CD2-CG2 3.89Å; F138-V256 HydrophobicContact CE2-CB 4.1Å; F138-V256 HydrophobicContact CE2-CG2 3.94Å; F138-M264 HydrophobicContact CE2-CE 4.38Å; F138-M264 HydrophobicContact CE2-SD 3.95Å; F138-M264 HydrophobicContact CZ-SD 3.66Å; F138-T267 HydrophobicContact CB-CG2 4.01Å; F138-T267 HydrophobicContact CD1-CG2 3.39Å; F138-T267 HydrophobicContact CD2-CG2 3.74Å; F138-T267 HydrophobicContact CE1-CG2 3.69Å; F138-T267 HydrophobicContact CE2-CG2 4.02Å; F138-T267 HydrophobicContact CG-CG2 3.41Å; F138-T267 VanDerWaalsContact CG-CG2 3.41Å; F138-T267 HydrophobicContact CZ-CG2 3.99Å; F138-M268 HydrophobicContact CE1-SD 3.57Å; F138-M268 VanDerWaalsContact CE1-SD 3.57Å; F138-M268 HydrophobicContact CZ-SD 3.89Å; F138-W273 HydrophobicContact CB-CB 4.43Å; F138-W273 HydrophobicContact CB-CE3 4.12Å; F138-K274 CarbonylContact C-O 3.52Å; F138-K274 VanDerWaalsContact CA-O 3.22Å; F138-K274 WeakPolarHBondContact CA-O 3.29Å; F138-E275 HydrophobicContact CD1-CB 3.91Å; F138-E275 HydrophobicContact CD1-CG 4.11Å; F138-E275 HydrophobicContact CE1-CB 3.65Å; F138-E275 HydrophobicContact CE1-CG 3.67Å; F138-E275 HydrophobicContact CZ-CB 4.41Å; F138-E275 HydrophobicContact CZ-CG 3.94Å |
| 139 | W | 98.1 | Very high | 96.1 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 165.1 | 176.5 | 80.9 | -49.3 | 0 | 0 | 0 | 111.6 | L20 P21 V24 P141 P252 C253 K274 I276 | L20-W139 HydrophobicContact CB-CH2 4.35Å; L20-W139 HydrophobicContact CB-CZ3 4.23Å; P21-W139 HydrophobicContact CB-CD2 3.58Å; P21-W139 HydrophobicContact CB-CE3 3.97Å; P21-W139 HydrophobicContact CB-CG 4.08Å; P21-W139 HydrophobicContact CB-CH2 3.94Å; P21-W139 HydrophobicContact CB-CZ2 3.57Å; P21-W139 HydrophobicContact CB-CZ3 4.12Å; P21-W139 HydrophobicContact CG-CZ2 4.05Å; V24-W139 HydrophobicContact CG2-CE3 4.42Å; W139-P141 HydrophobicContact CH2-CB 4.08Å; W139-P141 HydrophobicContact CZ2-CB 3.71Å; W139-P141 HydrophobicContact CZ2-CG 3.8Å; W139-P252 CarbonylContact C-O 3.58Å; W139-P252 VanDerWaalsContact CA-O 3.23Å; W139-P252 WeakPolarHBondContact CA-O 3.49Å; W139-P252 WeakPolarHBondContact CB-O 3.26Å; W139-C253 HydrophobicContact CB-CB 4.28Å; W139-K274 PolarHBondContact N-O 2.79Å; W139-K274 PolarHBondContact O-N 2.93Å; W139-I276 HydrophobicContact CB-CD1 4.21Å; W139-I276 HydrophobicContact CB-CG1 4.46Å; W139-I276 HydrophobicContact CG-CD1 4.28Å; W139-I276 HydrophobicContact CG-CG1 4.2Å |
| 140 | I | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | trans | -104 | 115.9 | 168 | -57.1 | 179.1 | 0 | 0 | 0 | 107.6 | D144 Y145 L148 A242 P252 F272 W273 | I140-D144 HydrophobicContact CG2-CB 3.88Å; I140-Y145 HydrophobicContact CB-CE1 4.36Å; I140-Y145 HydrophobicContact CG2-CD1 4.04Å; I140-Y145 HydrophobicContact CG2-CE1 4.02Å; I140-Y145 VanDerWaalsContact O-CE1 3.28Å; I140-Y145 WeakPolarHBondContact O-CE1 3.25Å; I140-Y145 PolarHBondContact O-OH 2.93Å; I140-L148 HydrophobicContact CD1-CD1 4.24Å; I140-L148 HydrophobicContact CD1-CD2 3.96Å; I140-A242 HydrophobicContact CD1-CB 3.75Å; I140-P252 HydrophobicContact CB-CB 4.06Å; I140-P252 HydrophobicContact CB-CG 4.39Å; I140-P252 HydrophobicContact CD1-CB 3.88Å; I140-P252 HydrophobicContact CD1-CG 4.38Å; I140-P252 HydrophobicContact CG1-CB 3.99Å; I140-P252 PolarHBondContact N-O 2.91Å; I140-F272 HydrophobicContact CD1-CB 3.99Å; I140-F272 HydrophobicContact CG1-CB 4.18Å; I140-W273 HydrophobicContact CD1-CD2 4.35Å; I140-W273 HydrophobicContact CD1-CE3 4.36Å; I140-W273 HydrophobicContact CD1-CH2 4.24Å; I140-W273 HydrophobicContact CD1-CZ2 4.23Å; I140-W273 HydrophobicContact CD1-CZ3 4.3Å; I140-W273 HydrophobicContact CG1-CD2 3.96Å; I140-W273 HydrophobicContact CG1-CE3 3.64Å; I140-W273 HydrophobicContact CG1-CH2 4.22Å; I140-W273 HydrophobicContact CG1-CZ3 3.77Å | ||
| 141 | P | 97.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 13% | 0.13 | 26% | 0.257 | C | S | . | . | trans | -62.5 | 149.7 | 176.8 | -20.3 | 30.6 | 0 | 0 | 0 | 112.2 | W139 D143 D144 Y145 K274 | W139-P141 HydrophobicContact CH2-CB 4.08Å; W139-P141 HydrophobicContact CZ2-CB 3.71Å; W139-P141 HydrophobicContact CZ2-CG 3.8Å; P141-D143 PolarHBondContact O-N 2.95Å; P141-D143 VanDerWaalsContact O-N 3.15Å; P141-D144 PolarHBondContact O-N 3.4Å; P141-Y145 WeakPolarHBondContact O-CD1 3.19Å; P141-Y145 WeakPolarHBondContact O-CE1 3.19Å; P141-K274 HydrophobicContact CG-CB 4.26Å; P141-K274 HydrophobicContact CG-CG 3.63Å | ||
| 142 | P | 96.8 | Very high | 96 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -52.2 | -35.1 | 174.6 | -29.5 | 36.3 | 0 | 0 | 0 | 114.7 | D144 Y145 | P142-D144 PolarHBondContact O-N 2.78Å; P142-Y145 HydrophobicContact CB-CD2 4.31Å; P142-Y145 HydrophobicContact CB-CE2 3.98Å; P142-Y145 HydrophobicContact CG-CE2 4.24Å; P142-Y145 WeakPolarHBondContact O-CB 3.23Å; P142-Y145 VanDerWaalsContact O-CG 3.32Å; P142-Y145 PolarHBondContact O-N 2.7Å |
| 143 | D | 96.7 | Very high | 96.2 | Very high | 156 Ų | 156 | 55.3 Ų | 55.3 | 83% | 0.834 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -62.4 | -24.2 | 178.1 | -63.8 | -12.5 | 0 | 0 | 0 | 113.1 | P141 | P141-D143 PolarHBondContact O-N 2.95Å; P141-D143 VanDerWaalsContact O-N 3.15Å |
| 144 | D | 97.2 | Very high | 96.3 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -90.8 | -0.7 | 178.5 | -83.5 | -40.9 | 0 | 0 | 0 | 112.7 | I140 P141 P142 K147 L148 | I140-D144 HydrophobicContact CG2-CB 3.88Å; P141-D144 PolarHBondContact O-N 3.4Å; P142-D144 PolarHBondContact O-N 2.78Å; D144-K147 WeakPolarHBondContact O-CB 3.47Å; D144-K147 PolarHBondContact O-N 2.98Å; D144-L148 WeakPolarHBondContact O-CB 3.29Å; D144-L148 PolarHBondContact O-N 3.11Å |
| 145 | Y | 97.4 | Very high | 96.4 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -42.1 | -175.7 | -69.1 | -5 | 0 | 0 | 0 | 113.1 | I140 P141 P142 K147 L148 Y149 L246 L251 | I140-Y145 HydrophobicContact CB-CE1 4.36Å; I140-Y145 HydrophobicContact CG2-CD1 4.04Å; I140-Y145 HydrophobicContact CG2-CE1 4.02Å; I140-Y145 VanDerWaalsContact O-CE1 3.28Å; I140-Y145 WeakPolarHBondContact O-CE1 3.25Å; I140-Y145 PolarHBondContact O-OH 2.93Å; P141-Y145 WeakPolarHBondContact O-CD1 3.19Å; P141-Y145 WeakPolarHBondContact O-CE1 3.19Å; P142-Y145 HydrophobicContact CB-CD2 4.31Å; P142-Y145 HydrophobicContact CB-CE2 3.98Å; P142-Y145 HydrophobicContact CG-CE2 4.24Å; P142-Y145 WeakPolarHBondContact O-CB 3.23Å; P142-Y145 VanDerWaalsContact O-CG 3.32Å; P142-Y145 PolarHBondContact O-N 2.7Å; Y145-K147 VanDerWaalsContact C-N 3.29Å; Y145-K147 PolarHBondContact O-N 3.25Å; Y145-L148 CarbonylContact O-C 3.49Å; Y145-L148 WeakPolarHBondContact O-CB 3.23Å; Y145-L148 PolarHBondContact O-N 3.48Å; Y145-L148 VanDerWaalsContact O-N 3.17Å; Y145-Y149 WeakPolarHBondContact O-CD2 3.32Å; Y145-Y149 PolarHBondContact O-N 2.93Å; Y145-L246 HydrophobicContact CD1-CD1 3.96Å; Y145-L246 HydrophobicContact CD1-CD2 4.3Å; Y145-L246 HydrophobicContact CD2-CD1 4.26Å; Y145-L246 HydrophobicContact CD2-CD2 3.94Å; Y145-L246 HydrophobicContact CE1-CD1 4.25Å; Y145-L246 HydrophobicContact CE1-CD2 3.87Å; Y145-L246 HydrophobicContact CE2-CD2 3.47Å; Y145-L246 VanDerWaalsContact CE2-CD2 3.47Å; Y145-L246 HydrophobicContact CG-CD1 3.98Å; Y145-L246 HydrophobicContact CG-CD2 4.36Å; Y145-L246 VanDerWaalsContact CZ-CD2 3.45Å; Y145-L251 WeakPolarHBondContact OH-CD2 3.39Å |
| 146 | E | 96.7 | Very high | 96.4 | Very high | 115 Ų | 115 | 62.3 Ų | 62.3 | 54% | 0.537 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 176.8 | -175.2 | -179.7 | -174.8 | 0 | 0 | 111.1 | Y149 R150 | E146-Y149 PolarHBondContact O-N 2.93Å; E146-R150 WeakPolarHBondContact O-CG 3.12Å; E146-R150 PolarHBondContact O-N 3.17Å; E146-R150 IonicContact OE1-CZ 2.7Å; E146-R150 IonicContact OE1-NE 2.6Å; E146-R150 IonicContact OE1-NH1 3.09Å; E146-R150 PolarHBondContact OE1-NH1 3.45Å; E146-R150 IonicContact OE1-NH2 2.63Å; E146-R150 PolarHBondContact OE1-NH2 3.31Å |
| 147 | K | 96.4 | Very high | 96.5 | Very high | 94 Ų | 94 | 68.2 Ų | 68.2 | 41% | 0.409 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 174.7 | -172.5 | -163 | 179.1 | 177.3 | 0 | 111.1 | D144 Y145 Y149 R150 A151 P271 F272 | D144-K147 WeakPolarHBondContact O-CB 3.47Å; D144-K147 PolarHBondContact O-N 2.98Å; Y145-K147 VanDerWaalsContact C-N 3.29Å; Y145-K147 PolarHBondContact O-N 3.25Å; K147-Y149 VanDerWaalsContact C-N 3.35Å; K147-Y149 PolarHBondContact O-N 3.48Å; K147-R150 PolarHBondContact O-N 3.34Å; K147-A151 PolarHBondContact O-N 3.12Å; K147-A151 VanDerWaalsContact O-N 3.12Å; K147-P271 PolarHBondContact NZ-O 2.84Å; K147-F272 HydrophobicContact CB-CE1 4.39Å; K147-F272 HydrophobicContact CD-CD1 4.18Å; K147-F272 HydrophobicContact CD-CE1 3.88Å; K147-F272 HydrophobicContact CG-CE1 3.83Å |
| 148 | L | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.8 | 179.5 | 67.3 | 0 | 0 | 0 | 111.2 | I140 D144 Y145 A151 I239 A242 R243 L246 F272 | I140-L148 HydrophobicContact CD1-CD1 4.24Å; I140-L148 HydrophobicContact CD1-CD2 3.96Å; D144-L148 WeakPolarHBondContact O-CB 3.29Å; D144-L148 PolarHBondContact O-N 3.11Å; Y145-L148 CarbonylContact O-C 3.49Å; Y145-L148 WeakPolarHBondContact O-CB 3.23Å; Y145-L148 PolarHBondContact O-N 3.48Å; Y145-L148 VanDerWaalsContact O-N 3.17Å; L148-A151 PolarHBondContact O-N 3.46Å; L148-I239 HydrophobicContact CD1-CG2 4.09Å; L148-A242 HydrophobicContact CD1-CB 4.39Å; L148-A242 HydrophobicContact CD2-CB 3.88Å; L148-R243 HydrophobicContact CD2-CG 4.33Å; L148-R243 HydrophobicContact CG-CG 4.12Å; L148-R243 VanDerWaalsContact O-CZ 3.26Å; L148-R243 PolarHBondContact O-NE 3.33Å; L148-R243 PolarHBondContact O-NH2 2.91Å; L148-L246 HydrophobicContact CD2-CD1 3.84Å; L148-F272 HydrophobicContact CB-CD1 4.24Å; L148-F272 HydrophobicContact CB-CE1 4.27Å; L148-F272 HydrophobicContact CD1-CD1 4.2Å; L148-F272 HydrophobicContact CD1-CE1 4.32Å; L148-F272 HydrophobicContact CD1-CG 4.31Å |
| 149 | Y | 95.9 | Very high | 96.6 | Very high | 113 Ų | 113 | 71.4 Ų | 71.4 | 44% | 0.443 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.4 | -32.4 | 177.4 | -75.6 | -59.8 | 0 | 0 | 0 | 113.3 | Y145 E146 K147 R243 L246 | Y145-Y149 WeakPolarHBondContact O-CD2 3.32Å; Y145-Y149 PolarHBondContact O-N 2.93Å; E146-Y149 PolarHBondContact O-N 2.93Å; K147-Y149 VanDerWaalsContact C-N 3.35Å; K147-Y149 PolarHBondContact O-N 3.48Å; Y149-R243 VanDerWaalsContact C-NH2 3.35Å; Y149-R243 HydrophobicContact CD1-CG 4.37Å; Y149-R243 HydrophobicContact CE1-CG 4.47Å; Y149-R243 PolarHBondContact O-NH2 3.42Å; Y149-L246 HydrophobicContact CE2-CD1 4.2Å; Y149-L246 WeakPolarHBondContact OH-CB 3.43Å |
| 150 | R | 96 | Very high | 96.6 | Very high | 181 Ų | 181 | 75 Ų | 75 | 68% | 0.683 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -78.9 | -15.1 | 177.4 | -73.2 | 178.8 | 175.7 | 171.2 | 4.2 | 114.7 | E146 K147 | E146-R150 WeakPolarHBondContact O-CG 3.12Å; E146-R150 PolarHBondContact O-N 3.17Å; E146-R150 IonicContact OE1-CZ 2.7Å; E146-R150 IonicContact OE1-NE 2.6Å; E146-R150 IonicContact OE1-NH1 3.09Å; E146-R150 PolarHBondContact OE1-NH1 3.45Å; E146-R150 IonicContact OE1-NH2 2.63Å; E146-R150 PolarHBondContact OE1-NH2 3.31Å; K147-R150 PolarHBondContact O-N 3.34Å |
| 151 | A | 94.7 | Very high | 96.6 | Very high | 21 Ų | 21 | 78 Ų | 78 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | trans | -58 | 145.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | K147 L148 P153 I239 R243 F272 | K147-A151 PolarHBondContact O-N 3.12Å; K147-A151 VanDerWaalsContact O-N 3.12Å; L148-A151 PolarHBondContact O-N 3.46Å; A151-P153 WeakPolarHBondContact O-CD 3.37Å; A151-I239 HydrophobicContact CB-CG2 4.2Å; A151-R243 VanDerWaalsContact C-NH2 3.34Å; A151-R243 PolarHBondContact O-NH2 3.15Å; A151-F272 HydrophobicContact CB-CZ 3.87Å | ||
| 152 | E | 94 | Very high | 96.7 | Very high | 169 Ų | 169 | 79.4 Ų | 79.4 | 79% | 0.79 | 39% | 0.392 | S | S | * | . | trans | -112.5 | 97.1 | 172.6 | -71 | -176.6 | 178.3 | 0 | 0 | 107.1 | T154 | E152-T154 PolarHBondContact O-N 2.83Š| ||
| 153 | P | 94.7 | Very high | 96.8 | Very high | 31 Ų | 31 | 81.2 Ų | 81.2 | 20% | 0.201 | 40% | 0.396 | C | S | . | . | trans | -65.9 | 120.3 | 179.1 | 27.7 | -32.8 | 0 | 0 | 0 | 108.5 | A151 F161 N236 I239 V240 | A151-P153 WeakPolarHBondContact O-CD 3.37Å; P153-F161 HydrophobicContact CB-CE2 4.13Å; P153-F161 HydrophobicContact CB-CZ 3.83Å; P153-F161 HydrophobicContact CG-CE2 4.23Å; P153-F161 HydrophobicContact CG-CZ 4.36Å; P153-N236 VanDerWaalsContact C-OD1 3.32Å; P153-N236 WeakPolarHBondContact CA-OD1 3.43Å; P153-N236 HydrophobicContact CB-CB 4.28Å; P153-N236 WeakPolarHBondContact CB-OD1 3.26Å; P153-I239 HydrophobicContact CB-CG2 4.26Å; P153-I239 HydrophobicContact CG-CG2 4.41Å; P153-V240 HydrophobicContact CB-CG2 3.95Å; P153-V240 HydrophobicContact CG-CG2 3.7Å | ||
| 154 | T | 95 | Very high | 96.9 | Very high | 99 Ų | 99 | 74.1 Ų | 74.1 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | trans | -113.4 | 127.8 | -174.6 | 45.3 | 0 | 0 | 0 | 0 | 109.9 | E152 N236 | E152-T154 PolarHBondContact O-N 2.83Å; T154-N236 PolarHBondContact N-OD1 3.32Å; T154-N236 VanDerWaalsContact O-CG 3.25Å; T154-N236 PolarHBondContact O-ND2 2.9Å; T154-N236 PolarHBondContact O-OD1 3.28Å | ||
| 155 | L | 97.8 | Very high | 96.9 | Very high | 38 Ų | 38 | 77.2 Ų | 77.2 | 20% | 0.199 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 157.4 | 174.6 | -64.1 | 175.7 | 0 | 0 | 0 | 110.2 | F159 Y160 F161 V199 N236 | L155-F159 HydrophobicContact CB-CB 3.99Å; L155-F159 HydrophobicContact CD1-CB 4.31Å; L155-Y160 VanDerWaalsContact CD1-C 3.49Å; L155-F161 HydrophobicContact CD1-CD1 3.95Å; L155-F161 HydrophobicContact CD1-CD2 3.74Å; L155-F161 HydrophobicContact CD1-CE1 3.84Å; L155-F161 HydrophobicContact CD1-CE2 3.63Å; L155-F161 HydrophobicContact CD1-CG 3.89Å; L155-F161 HydrophobicContact CD1-CZ 3.65Å; L155-F161 HydrophobicContact CD2-CE1 3.82Å; L155-F161 HydrophobicContact CD2-CE2 4.41Å; L155-F161 HydrophobicContact CD2-CZ 3.68Å; L155-F161 HydrophobicContact CG-CD2 4.36Å; L155-F161 HydrophobicContact CG-CE1 3.99Å; L155-F161 HydrophobicContact CG-CE2 3.72Å; L155-F161 HydrophobicContact CG-CZ 3.49Å; L155-F161 VanDerWaalsContact CG-CZ 3.49Å; L155-V199 HydrophobicContact CD1-CG1 3.96Å; L155-V199 HydrophobicContact CD1-CG2 3.98Å; L155-V199 HydrophobicContact CD2-CG1 4.14Å; L155-V199 HydrophobicContact CD2-CG2 3.85Å; L155-N236 HydrophobicContact CD2-CB 4.08Å |
| 156 | P | 96.1 | Very high | 96.9 | Very high | 40 Ų | 40 | 76.7 Ų | 76.7 | 26% | 0.26 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 156.2 | 169.5 | -16.8 | 28.9 | 0 | 0 | 0 | 111.4 | G158 F159 R231 | P156-G158 PolarHBondContact O-N 2.93Å; P156-F159 HydrophobicContact CB-CD2 3.78Å; P156-F159 HydrophobicContact CB-CE2 4.15Å; P156-F159 HydrophobicContact CG-CD2 4.16Å; P156-F159 HydrophobicContact CG-CE2 4.49Å; P156-F159 WeakPolarHBondContact O-CB 3.27Å; P156-F159 PolarHBondContact O-N 2.6Å; P156-F159 VanDerWaalsContact O-N 3.09Å; P156-R231 HydrophobicContact CG-CB 3.81Å; P156-R231 HydrophobicContact CG-CG 4.48Å |
| 157 | E | 96.9 | Very high | 96.9 | Very high | 196 Ų | 196 | 78.1 Ų | 78.1 | 92% | 0.916 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 136.9 | 173.9 | -173.7 | 177.2 | -175.9 | 0 | 0 | 111.2 | F159 | E157-F159 VanDerWaalsContact C-N 3.32Å; E157-F159 WeakPolarHBondContact O-CD2 3.33Å |
| 158 | G | 97.5 | Very high | 97 | Very high | 38 Ų | 38 | 75 Ų | 75 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 0.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P156 N201 S202 | P156-G158 PolarHBondContact O-N 2.93Å; G158-N201 CarbonylContact O-C 3.59Å; G158-N201 VanDerWaalsContact O-C 3.26Å; G158-N201 WeakPolarHBondContact O-CA 3.42Å; G158-S202 PolarHBondContact O-N 3.21Å |
| 159 | F | 98.5 | Very high | 97 | Very high | 31 Ų | 31 | 75 Ų | 75 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 147.6 | 174.3 | -66.3 | -102.4 | 0 | 0 | 0 | 111.4 | L155 P156 E157 V199 R200 N201 A207 F228 I233 | L155-F159 HydrophobicContact CB-CB 3.99Å; L155-F159 HydrophobicContact CD1-CB 4.31Å; P156-F159 HydrophobicContact CB-CD2 3.78Å; P156-F159 HydrophobicContact CB-CE2 4.15Å; P156-F159 HydrophobicContact CG-CD2 4.16Å; P156-F159 HydrophobicContact CG-CE2 4.49Å; P156-F159 WeakPolarHBondContact O-CB 3.27Å; P156-F159 PolarHBondContact O-N 2.6Å; P156-F159 VanDerWaalsContact O-N 3.09Å; E157-F159 VanDerWaalsContact C-N 3.32Å; E157-F159 WeakPolarHBondContact O-CD2 3.33Å; F159-V199 HydrophobicContact CB-CG1 4.02Å; F159-V199 HydrophobicContact CD1-CG1 3.86Å; F159-V199 HydrophobicContact CG-CG1 4.41Å; F159-R200 CarbonylContact C-O 3.56Å; F159-R200 VanDerWaalsContact CA-O 3.25Å; F159-R200 WeakPolarHBondContact CA-O 3.32Å; F159-N201 HydrophobicContact CD1-CB 4.02Å; F159-N201 HydrophobicContact CE1-CB 3.8Å; F159-N201 HydrophobicContact CZ-CB 4.13Å; F159-A207 HydrophobicContact CD1-CB 3.93Å; F159-A207 HydrophobicContact CE1-CB 3.68Å; F159-F228 AromaticContact CE1-CD1 3.81Å; F159-F228 HydrophobicContact CE1-CD1 3.81Å; F159-F228 HydrophobicContact CE1-CE1 4.17Å; F159-F228 HydrophobicContact CE1-CG 4.16Å; F159-F228 AromaticContact CZ-CD1 3.67Å; F159-F228 HydrophobicContact CZ-CD1 3.67Å; F159-F228 HydrophobicContact CZ-CE1 4.02Å; F159-F228 HydrophobicContact CZ-CG 4.41Å; F159-I233 HydrophobicContact CD1-CD1 4.09Å; F159-I233 HydrophobicContact CE1-CD1 3.99Å |
| 160 | Y | 98.4 | Very high | 97.1 | Very high | 101 Ų | 101 | 74.2 Ų | 74.2 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154.4 | 177.1 | 60.3 | -87.7 | 0 | 0 | 0 | 111.5 | L155 D162 V199 R200 N201 | L155-Y160 VanDerWaalsContact CD1-C 3.49Å; Y160-D162 HydrophobicContact CD2-CB 4.18Å; Y160-D162 HydrophobicContact CE2-CB 4Å; Y160-V199 VanDerWaalsContact O-CA 3.3Å; Y160-V199 WeakPolarHBondContact O-CA 3.37Å; Y160-R200 HydrophobicContact CE1-CB 4.03Å; Y160-R200 HydrophobicContact CE2-CB 3.93Å; Y160-R200 HydrophobicContact CE2-CG 4.45Å; Y160-R200 PolarHBondContact N-O 3.09Å; Y160-R200 PolarHBondContact O-N 3.15Å; Y160-N201 VanDerWaalsContact CE1-O 3.23Å; Y160-N201 WeakPolarHBondContact CE1-O 3.38Å |
| 161 | F | 98.6 | Very high | 97.2 | Very high | 65 Ų | 65 | 69 Ų | 69 | 29% | 0.285 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 143.1 | 171.5 | -63.1 | -72.8 | 0 | 0 | 0 | 110.5 | P153 L155 V197 C198 V199 N236 V240 | P153-F161 HydrophobicContact CB-CE2 4.13Å; P153-F161 HydrophobicContact CB-CZ 3.83Å; P153-F161 HydrophobicContact CG-CE2 4.23Å; P153-F161 HydrophobicContact CG-CZ 4.36Å; L155-F161 HydrophobicContact CD1-CD1 3.95Å; L155-F161 HydrophobicContact CD1-CD2 3.74Å; L155-F161 HydrophobicContact CD1-CE1 3.84Å; L155-F161 HydrophobicContact CD1-CE2 3.63Å; L155-F161 HydrophobicContact CD1-CG 3.89Å; L155-F161 HydrophobicContact CD1-CZ 3.65Å; L155-F161 HydrophobicContact CD2-CE1 3.82Å; L155-F161 HydrophobicContact CD2-CE2 4.41Å; L155-F161 HydrophobicContact CD2-CZ 3.68Å; L155-F161 HydrophobicContact CG-CD2 4.36Å; L155-F161 HydrophobicContact CG-CE1 3.99Å; L155-F161 HydrophobicContact CG-CE2 3.72Å; L155-F161 HydrophobicContact CG-CZ 3.49Å; L155-F161 VanDerWaalsContact CG-CZ 3.49Å; F161-V197 HydrophobicContact CD1-CG1 4Å; F161-C198 WeakPolarHBondContact CA-O 3.27Å; F161-V199 HydrophobicContact CD1-CG2 3.65Å; F161-V199 HydrophobicContact CE1-CG2 3.8Å; F161-N236 HydrophobicContact CE1-CB 4.13Å; F161-N236 HydrophobicContact CZ-CB 3.91Å; F161-V240 HydrophobicContact CD1-CG2 3.97Å; F161-V240 HydrophobicContact CD2-CG2 4.33Å; F161-V240 HydrophobicContact CE1-CG2 3.68Å; F161-V240 HydrophobicContact CE2-CG2 4.07Å; F161-V240 HydrophobicContact CG-CG2 4.29Å; F161-V240 HydrophobicContact CZ-CG2 3.75Å |
| 162 | D | 98.4 | Very high | 97.3 | Very high | 51 Ų | 51 | 68 Ų | 68 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | -171.9 | 178.6 | -167 | 12.5 | 0 | 0 | 0 | 109.7 | Y160 C198 R200 | Y160-D162 HydrophobicContact CD2-CB 4.18Å; Y160-D162 HydrophobicContact CE2-CB 4Å; D162-C198 PolarHBondContact N-O 3.38Å; D162-C198 PolarHBondContact O-N 3.08Å; D162-R200 HydrophobicContact CB-CG 4.42Å; D162-R200 WeakPolarHBondContact OD2-CD 3.33Å; D162-R200 IonicContact OD2-CZ 3Å; D162-R200 IonicContact OD2-NE 3.38Å; D162-R200 PolarHBondContact OD2-NE 3.02Å |
| 163 | E | 98.3 | Very high | 97.5 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | trans | -114.8 | 152.3 | 172.9 | -63.3 | -173.5 | 165.3 | 0 | 0 | 111.1 | N196 C198 R200 K244 | E163-N196 WeakPolarHBondContact CA-OD1 3.32Å; E163-C198 PolarHBondContact O-SG 3.12Å; E163-C198 VanDerWaalsContact O-SG 3.39Å; E163-R200 PolarHBondContact O-NH2 2.82Å; E163-R200 VanDerWaalsContact O-NH2 3.11Å; E163-K244 IonicContact OE1-NZ 2.97Å; E163-K244 PolarHBondContact OE1-NZ 2.92Å | ||
| 164 | L | 98.5 | Very high | 97.5 | Very high | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | trans | -70.5 | 143.9 | 169.2 | -69.7 | 171.8 | 0 | 0 | 0 | 109.9 | E168 V172 I191 N196 C198 L206 F209 M211 | L164-E168 VanDerWaalsContact CA-OE2 3.31Å; L164-E168 WeakPolarHBondContact CA-OE2 3.46Å; L164-E168 HydrophobicContact CD2-CB 4.38Å; L164-V172 HydrophobicContact CD1-CG2 4.1Å; L164-V172 HydrophobicContact CD2-CG2 4.26Å; L164-I191 HydrophobicContact CB-CD1 4.11Å; L164-I191 HydrophobicContact CB-CG1 4Å; L164-I191 HydrophobicContact CB-CG2 3.86Å; L164-I191 HydrophobicContact CD1-CD1 4.14Å; L164-I191 HydrophobicContact CD1-CG1 3.97Å; L164-I191 VanDerWaalsContact O-CG2 3.29Å; L164-I191 WeakPolarHBondContact O-CG2 3.11Å; L164-N196 PolarHBondContact N-OD1 2.9Å; L164-C198 HydrophobicContact CD2-CB 4Å; L164-C198 HydrophobicContact CG-CB 4.13Å; L164-L206 HydrophobicContact CD2-CD1 4.11Å; L164-L206 HydrophobicContact CD2-CD2 4.13Å; L164-F209 HydrophobicContact CD1-CB 3.99Å; L164-F209 HydrophobicContact CD1-CD2 4.27Å; L164-F209 HydrophobicContact CD1-CG 4.27Å; L164-F209 HydrophobicContact CD2-CB 3.98Å; L164-F209 HydrophobicContact CD2-CG 4.32Å; L164-F209 HydrophobicContact CG-CB 4.19Å; L164-M211 HydrophobicContact CD1-SD 4.11Å | ||
| 165 | H | 97.7 | Very high | 97.6 | Very high | 96 Ų | 96 | 59.4 Ų | 59.4 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | trans | -98.8 | 156.8 | 171 | -55.7 | -57 | 0 | 0 | 0 | 111.1 | E167 E168 | H165-E167 WeakPolarHBondContact CB-OE2 3.32Å; H165-E167 PolarHBondContact O-N 2.99Å; H165-E167 VanDerWaalsContact O-N 3.17Å; H165-E168 HydrophobicContact CB-CG 4.46Å; H165-E168 IonicContact CD2-OE2 3.83Å; H165-E168 PolarHBondContact N-OE2 3.4Å; H165-E168 WeakPolarHBondContact O-CB 3.38Å; H165-E168 PolarHBondContact O-N 2.95Å | ||
| 166 | A | 97.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 60.5 Ų | 60.5 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -63.1 | -26.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E168 A169 R188 T192 | A166-E168 VanDerWaalsContact C-N 3.27Å; A166-A169 WeakPolarHBondContact O-CB 3.42Å; A166-A169 PolarHBondContact O-N 2.81Å; A166-R188 HydrophobicContact CB-CG 4.16Å; A166-R188 PolarHBondContact O-NE 2.88Å; A166-T192 HydrophobicContact CB-CG2 3.74Å |
| 167 | E | 97.3 | Very high | 97 | Very high | 146 Ų | 146 | 64.6 Ų | 64.6 | 68% | 0.682 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -75.2 | -15.1 | 177 | -56.9 | 73.8 | -160.4 | 0 | 0 | 112.6 | H165 A169 | H165-E167 WeakPolarHBondContact CB-OE2 3.32Å; H165-E167 PolarHBondContact O-N 2.99Å; H165-E167 VanDerWaalsContact O-N 3.17Å; E167-A169 VanDerWaalsContact C-N 3.26Å |
| 168 | E | 98 | Very high | 96.4 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -84.8 | -2.2 | 176.3 | -62.5 | 178.9 | 113.6 | 0 | 0 | 112.2 | L164 H165 A166 E170 L171 V172 R200 | L164-E168 VanDerWaalsContact CA-OE2 3.31Å; L164-E168 WeakPolarHBondContact CA-OE2 3.46Å; L164-E168 HydrophobicContact CD2-CB 4.38Å; H165-E168 HydrophobicContact CB-CG 4.46Å; H165-E168 IonicContact CD2-OE2 3.83Å; H165-E168 PolarHBondContact N-OE2 3.4Å; H165-E168 WeakPolarHBondContact O-CB 3.38Å; H165-E168 PolarHBondContact O-N 2.95Å; A166-E168 VanDerWaalsContact C-N 3.27Å; E168-E170 VanDerWaalsContact C-N 3.3Å; E168-E170 PolarHBondContact O-N 3.36Å; E168-L171 PolarHBondContact O-N 3.33Å; E168-L171 VanDerWaalsContact O-N 3.12Å; E168-V172 WeakPolarHBondContact O-CG2 3.4Å; E168-V172 PolarHBondContact O-N 3.17Å; E168-R200 VanDerWaalsContact CD-NH2 3.28Å; E168-R200 IonicContact OE1-CZ 2.81Å; E168-R200 IonicContact OE1-NH1 3.01Å; E168-R200 PolarHBondContact OE1-NH1 2.84Å; E168-R200 IonicContact OE1-NH2 3.34Å; E168-R200 PolarHBondContact OE1-NH2 2.84Å; E168-R200 IonicContact OE2-CZ 3.78Å; E168-R200 IonicContact OE2-NH1 2.79Å; E168-R200 IonicContact OE2-NH2 3.84Å; E168-R200 PolarHBondContact OE2-NH2 2.91Å |
| 169 | A | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.7 | -40.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A166 E167 L171 V172 D173 V184 V187 R188 I191 | A166-A169 WeakPolarHBondContact O-CB 3.42Å; A166-A169 PolarHBondContact O-N 2.81Å; E167-A169 VanDerWaalsContact C-N 3.26Å; A169-L171 PolarHBondContact O-N 3.32Å; A169-V172 PolarHBondContact O-N 3.07Å; A169-D173 WeakPolarHBondContact O-CB 3.46Å; A169-D173 PolarHBondContact O-N 2.82Å; A169-V184 HydrophobicContact CB-CG1 4.18Å; A169-V187 HydrophobicContact CB-CB 4.31Å; A169-V187 HydrophobicContact CB-CG1 3.96Å; A169-R188 HydrophobicContact CB-CB 3.73Å; A169-R188 HydrophobicContact CB-CG 4.42Å; A169-I191 HydrophobicContact CB-CD1 4.18Å |
| 170 | E | 97.6 | Very high | 95.3 | Very high | 96 Ų | 96 | 65.5 Ų | 65.5 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.6 | -77.2 | 76.6 | -177.5 | 0 | 0 | 112.1 | E168 S174 V184 R188 | E168-E170 VanDerWaalsContact C-N 3.3Å; E168-E170 PolarHBondContact O-N 3.36Å; E170-S174 WeakPolarHBondContact O-CB 3.33Å; E170-S174 PolarHBondContact O-N 3.42Å; E170-V184 HydrophobicContact CG-CG1 4.01Å; E170-R188 IonicContact OE1-CZ 2.76Å; E170-R188 IonicContact OE1-NH2 4Å; E170-R188 PolarHBondContact OE1-NH2 2.88Å; E170-R188 IonicContact OE2-NH2 3.89Å; E170-R188 PolarHBondContact OE2-NH2 2.92Å |
| 171 | L | 97.7 | Very high | 94.6 | Very high | 70 Ų | 70 | 66.3 Ų | 66.3 | 37% | 0.366 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.1 | -49.4 | 178 | 173.5 | 62.1 | 0 | 0 | 0 | 110.4 | E168 A169 D173 S174 L175 L206 M225 | E168-L171 PolarHBondContact O-N 3.33Å; E168-L171 VanDerWaalsContact O-N 3.12Å; A169-L171 PolarHBondContact O-N 3.32Å; L171-D173 VanDerWaalsContact C-N 3.32Å; L171-D173 PolarHBondContact O-N 3.2Å; L171-S174 WeakPolarHBondContact O-CB 3.49Å; L171-S174 PolarHBondContact O-N 2.97Å; L171-S174 VanDerWaalsContact O-N 3.13Å; L171-S174 PolarHBondContact O-OG 2.92Å; L171-L175 HydrophobicContact CD1-CD1 4.27Å; L171-L175 HydrophobicContact CG-CD1 4.39Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 2.81Å; L171-L206 HydrophobicContact CD2-CD2 3.8Å; L171-M225 HydrophobicContact CD2-CE 4.16Å |
| 172 | V | 97.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 179.8 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L164 E168 A169 S174 L175 W176 V187 F209 M211 | L164-V172 HydrophobicContact CD1-CG2 4.1Å; L164-V172 HydrophobicContact CD2-CG2 4.26Å; E168-V172 WeakPolarHBondContact O-CG2 3.4Å; E168-V172 PolarHBondContact O-N 3.17Å; A169-V172 PolarHBondContact O-N 3.07Å; V172-S174 VanDerWaalsContact C-N 3.33Å; V172-S174 PolarHBondContact O-N 3.47Å; V172-L175 PolarHBondContact O-N 2.84Å; V172-W176 PolarHBondContact O-N 3.43Å; V172-V187 HydrophobicContact CB-CG1 3.7Å; V172-V187 HydrophobicContact CG1-CG1 3.47Å; V172-V187 VanDerWaalsContact CG1-CG1 3.47Å; V172-V187 HydrophobicContact CG1-CG2 4.44Å; V172-F209 HydrophobicContact CB-CE2 4.18Å; V172-F209 HydrophobicContact CB-CZ 4.18Å; V172-F209 HydrophobicContact CG1-CD2 4.35Å; V172-F209 HydrophobicContact CG1-CE2 3.63Å; V172-F209 HydrophobicContact CG1-CZ 4.04Å; V172-F209 HydrophobicContact CG2-CD1 4.44Å; V172-F209 HydrophobicContact CG2-CD2 4.13Å; V172-F209 HydrophobicContact CG2-CE1 4.15Å; V172-F209 HydrophobicContact CG2-CE2 3.83Å; V172-F209 HydrophobicContact CG2-CG 4.43Å; V172-F209 HydrophobicContact CG2-CZ 3.83Å; V172-M211 HydrophobicContact CG1-SD 3.98Å |
| 173 | D | 96.8 | Very high | 93.5 | Very high | 16 Ų | 16 | 61.7 Ų | 61.7 | 9% | 0.086 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.4 | -172.6 | 72.1 | 0 | 0 | 0 | 112.3 | A169 L171 L175 W176 R179 S183 V184 V187 | A169-D173 WeakPolarHBondContact O-CB 3.46Å; A169-D173 PolarHBondContact O-N 2.82Å; L171-D173 VanDerWaalsContact C-N 3.32Å; L171-D173 PolarHBondContact O-N 3.2Å; D173-L175 PolarHBondContact O-N 3.09Å; D173-W176 WeakPolarHBondContact O-CB 3.5Å; D173-W176 PolarHBondContact O-N 2.83Å; D173-R179 WeakPolarHBondContact O-CD 3.42Å; D173-S183 VanDerWaalsContact CG-OG 3.3Å; D173-S183 WeakPolarHBondContact OD1-CB 3.28Å; D173-S183 PolarHBondContact OD1-OG 2.7Å; D173-S183 PolarHBondContact OD2-OG 2.95Å; D173-V184 HydrophobicContact CB-CG2 3.83Å; D173-V184 WeakPolarHBondContact OD2-CG2 3.48Å; D173-V187 HydrophobicContact CB-CG2 4.23Å |
| 174 | S | 96.7 | Very high | 93.3 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 41% | 0.413 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -28.2 | 179.3 | 81.4 | 0 | 0 | 0 | 0 | 113.4 | E170 L171 V172 | E170-S174 WeakPolarHBondContact O-CB 3.33Å; E170-S174 PolarHBondContact O-N 3.42Å; L171-S174 WeakPolarHBondContact O-CB 3.49Å; L171-S174 PolarHBondContact O-N 2.97Å; L171-S174 VanDerWaalsContact O-N 3.13Å; L171-S174 PolarHBondContact O-OG 2.92Å; V172-S174 VanDerWaalsContact C-N 3.33Å; V172-S174 PolarHBondContact O-N 3.47Å |
| 175 | L | 95.9 | Very high | 92.8 | Very high | 44 Ų | 44 | 61.9 Ų | 61.9 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.9 | 179.8 | -62.5 | 169.6 | 0 | 0 | 0 | 112.9 | L171 V172 D173 V177 F209 Y223 M225 | L171-L175 HydrophobicContact CD1-CD1 4.27Å; L171-L175 HydrophobicContact CG-CD1 4.39Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 2.81Å; V172-L175 PolarHBondContact O-N 2.84Å; D173-L175 PolarHBondContact O-N 3.09Å; L175-V177 PolarHBondContact O-N 3Å; L175-F209 HydrophobicContact CD1-CE1 3.79Å; L175-F209 HydrophobicContact CD1-CZ 3.89Å; L175-Y223 HydrophobicContact CB-CE2 4.43Å; L175-Y223 HydrophobicContact CD1-CD1 3.93Å; L175-Y223 HydrophobicContact CD1-CE1 3.92Å; L175-Y223 HydrophobicContact CD2-CE1 4.05Å; L175-Y223 HydrophobicContact CG-CE1 4.41Å; L175-M225 HydrophobicContact CD1-CE 3.78Å; L175-M225 HydrophobicContact CD1-SD 3.86Å |
| 176 | W | 92.7 | Very high | 92.4 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | trans | -83.6 | 112.1 | -178.5 | -173.3 | 30.3 | 0 | 0 | 0 | 111.7 | V172 D173 H178 R179 F180 H221 | V172-W176 PolarHBondContact O-N 3.43Å; D173-W176 WeakPolarHBondContact O-CB 3.5Å; D173-W176 PolarHBondContact O-N 2.83Å; W176-H178 HydrophobicContact CD2-CB 4.47Å; W176-H178 HydrophobicContact CZ2-CB 4.13Å; W176-H178 AromaticContact NE1-CD2 3.93Å; W176-H178 PolarHBondContact O-N 3.39Å; W176-H178 VanDerWaalsContact O-N 3.1Å; W176-R179 HydrophobicContact CB-CB 4.32Å; W176-R179 HydrophobicContact CE3-CB 4.12Å; W176-R179 WeakPolarHBondContact O-CB 3.33Å; W176-R179 WeakPolarHBondContact O-CG 3.46Å; W176-R179 PolarHBondContact O-N 3.23Å; W176-R179 VanDerWaalsContact O-N 3.08Å; W176-F180 HydrophobicContact CH2-CD1 4.3Å; W176-F180 AromaticContact CH2-CE1 3.8Å; W176-F180 HydrophobicContact CH2-CE1 3.8Å; W176-F180 HydrophobicContact CZ3-CD1 4.17Å; W176-F180 AromaticContact CZ3-CE1 3.8Å; W176-F180 HydrophobicContact CZ3-CE1 3.8Å; W176-H221 AromaticContact CD1-CE1 3.93Å; W176-H221 AromaticContact CD1-ND1 3.8Å; W176-H221 AromaticContact CD2-CE1 3.3Å; W176-H221 AromaticContact CD2-ND1 3.88Å; W176-H221 AromaticContact CE2-CE1 3.44Å; W176-H221 VanDerWaalsContact CE2-CE1 3.44Å; W176-H221 AromaticContact CE3-CE1 3.57Å; W176-H221 AromaticContact CG-CE1 3.64Å; W176-H221 AromaticContact CG-ND1 3.69Å; W176-H221 AromaticContact CZ2-CE1 3.85Å; W176-H221 AromaticContact CZ3-CE1 3.93Å; W176-H221 AromaticContact NE1-CE1 3.83Å | ||
| 177 | V | 88.2 | Confident | 92.3 | Very high | 126 Ų | 126 | 57.4 Ų | 57.4 | 76% | 0.764 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19 | 179.6 | -62 | 0 | 0 | 0 | 0 | 114.1 | L175 | L175-V177 PolarHBondContact O-N 3Š|
| 178 | H | 84.1 | Confident | 92.2 | Very high | 93 Ų | 93 | 53.7 Ų | 53.7 | 43% | 0.431 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 20.8 | 178.5 | -51.3 | -60.5 | 0 | 0 | 0 | 112.9 | W176 | W176-H178 HydrophobicContact CD2-CB 4.47Å; W176-H178 HydrophobicContact CZ2-CB 4.13Å; W176-H178 AromaticContact NE1-CD2 3.93Å; W176-H178 PolarHBondContact O-N 3.39Å; W176-H178 VanDerWaalsContact O-N 3.1Å |
| 179 | R | 87.9 | Confident | 91.9 | Very high | 148 Ų | 148 | 55.4 Ų | 55.4 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | trans | -57.1 | 153.7 | 175.7 | 72 | -178.7 | -163.3 | -168 | 6.1 | 112 | D173 W176 | D173-R179 WeakPolarHBondContact O-CD 3.42Å; W176-R179 HydrophobicContact CB-CB 4.32Å; W176-R179 HydrophobicContact CE3-CB 4.12Å; W176-R179 WeakPolarHBondContact O-CB 3.33Å; W176-R179 WeakPolarHBondContact O-CG 3.46Å; W176-R179 PolarHBondContact O-N 3.23Å; W176-R179 VanDerWaalsContact O-N 3.08Å | ||
| 180 | F | 84.8 | Confident | 91.7 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | trans | -143.8 | 166.5 | -179.1 | 56.5 | -95.1 | 0 | 0 | 0 | 110.5 | K59 W60 W176 G182 S183 | K59-F180 WeakPolarHBondContact O-CE2 3.49Å; W60-F180 HydrophobicContact CE3-CD1 4.22Å; W60-F180 HydrophobicContact CE3-CD2 4.22Å; W60-F180 HydrophobicContact CE3-CE1 4.15Å; W60-F180 HydrophobicContact CE3-CE2 4.17Å; W60-F180 HydrophobicContact CE3-CG 4.25Å; W60-F180 HydrophobicContact CE3-CZ 4.13Å; W60-F180 HydrophobicContact CH2-CD1 4.47Å; W60-F180 AromaticContact CZ3-CD1 3.79Å; W60-F180 HydrophobicContact CZ3-CD1 3.79Å; W60-F180 AromaticContact CZ3-CE1 3.87Å; W60-F180 HydrophobicContact CZ3-CE1 3.87Å; W60-F180 HydrophobicContact CZ3-CG 4.16Å; W60-F180 HydrophobicContact CZ3-CZ 4.32Å; W176-F180 HydrophobicContact CH2-CD1 4.3Å; W176-F180 AromaticContact CH2-CE1 3.8Å; W176-F180 HydrophobicContact CH2-CE1 3.8Å; W176-F180 HydrophobicContact CZ3-CD1 4.17Å; W176-F180 AromaticContact CZ3-CE1 3.8Å; W176-F180 HydrophobicContact CZ3-CE1 3.8Å; F180-G182 PolarHBondContact O-N 2.82Å; F180-S183 PolarHBondContact N-OG 2.89Å; F180-S183 VanDerWaalsContact N-OG 3.08Å; F180-S183 WeakPolarHBondContact O-CB 3.46Å; F180-S183 PolarHBondContact O-N 3Å; F180-S183 PolarHBondContact O-OG 3.36Å | ||
| 181 | E | 84 | Confident | 91.7 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 56% | 0.556 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 119.5 | 177.6 | 176.5 | 175.9 | -155.4 | 0 | 0 | 110.9 | G61 N62 | G61-E181 PolarHBondContact N-O 3.22Å; N62-E181 PolarHBondContact OD1-OE1 2.91Å; N62-E181 PolarHBondContact OD1-OE2 2.91Å |
| 182 | G | 84.2 | Confident | 91.6 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 19% | 0.186 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -0.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116 | F180 V184 D185 | F180-G182 PolarHBondContact O-N 2.82Å; G182-V184 VanDerWaalsContact C-N 3.27Å; G182-V184 PolarHBondContact O-N 3.08Å; G182-D185 PolarHBondContact O-N 3.42Å |
| 183 | S | 90.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -24.6 | -178.9 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | D173 F180 D185 H186 V187 | D173-S183 VanDerWaalsContact CG-OG 3.3Å; D173-S183 WeakPolarHBondContact OD1-CB 3.28Å; D173-S183 PolarHBondContact OD1-OG 2.7Å; D173-S183 PolarHBondContact OD2-OG 2.95Å; F180-S183 PolarHBondContact N-OG 2.89Å; F180-S183 VanDerWaalsContact N-OG 3.08Å; F180-S183 WeakPolarHBondContact O-CB 3.46Å; F180-S183 PolarHBondContact O-N 3Å; F180-S183 PolarHBondContact O-OG 3.36Å; S183-D185 VanDerWaalsContact C-N 3.28Å; S183-D185 PolarHBondContact O-N 2.78Å; S183-H186 WeakPolarHBondContact O-CA 3.06Å; S183-H186 WeakPolarHBondContact O-CB 3.3Å; S183-H186 PolarHBondContact O-N 2.82Å; S183-V187 WeakPolarHBondContact O-CG2 3.42Å; S183-V187 PolarHBondContact O-N 2.98Å |
| 184 | V | 93.1 | Very high | 91.4 | Very high | 35 Ų | 35 | 54 Ų | 54 | 21% | 0.212 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55 | -42.9 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | A169 E170 D173 G182 H186 V187 R188 | A169-V184 HydrophobicContact CB-CG1 4.18Å; E170-V184 HydrophobicContact CG-CG1 4.01Å; D173-V184 HydrophobicContact CB-CG2 3.83Å; D173-V184 WeakPolarHBondContact OD2-CG2 3.48Å; G182-V184 VanDerWaalsContact C-N 3.27Å; G182-V184 PolarHBondContact O-N 3.08Å; V184-H186 VanDerWaalsContact C-N 3.25Å; V184-H186 PolarHBondContact O-N 3.08Å; V184-V187 PolarHBondContact O-N 3.18Å; V184-R188 WeakPolarHBondContact O-CB 3.36Å; V184-R188 PolarHBondContact O-N 2.97Å |
| 185 | D | 89.8 | Confident | 91.4 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66 | -32.6 | 178 | -64.9 | -33.4 | 0 | 0 | 0 | 111.6 | K59 G182 S183 R188 R189 | K59-D185 IonicContact NZ-OD2 3.69Å; K59-D185 PolarHBondContact NZ-OD2 3.08Å; G182-D185 PolarHBondContact O-N 3.42Å; S183-D185 VanDerWaalsContact C-N 3.28Å; S183-D185 PolarHBondContact O-N 2.78Å; D185-R188 IonicContact OD1-NH1 2.65Å; D185-R188 PolarHBondContact OD1-NH1 3.24Å; D185-R189 WeakPolarHBondContact O-CB 3.46Å; D185-R189 PolarHBondContact O-N 3Å |
| 186 | H | 88.9 | Confident | 91.5 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 13% | 0.125 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.7 | -49.5 | 175.5 | -160.2 | -179.3 | 0 | 0 | 0 | 110.7 | S183 V184 R188 R189 F190 H213 D214 | S183-H186 WeakPolarHBondContact O-CA 3.06Å; S183-H186 WeakPolarHBondContact O-CB 3.3Å; S183-H186 PolarHBondContact O-N 2.82Å; V184-H186 VanDerWaalsContact C-N 3.25Å; V184-H186 PolarHBondContact O-N 3.08Å; H186-R188 VanDerWaalsContact C-N 3.34Å; H186-R188 PolarHBondContact O-N 3Å; H186-R189 PolarHBondContact CD2-NH2 3.17Å; H186-R189 PolarHBondContact NE2-NH2 3.27Å; H186-R189 VanDerWaalsContact NE2-NH2 3.19Å; H186-R189 WeakPolarHBondContact O-CB 3.34Å; H186-R189 PolarHBondContact O-N 3.36Å; H186-R189 VanDerWaalsContact O-N 3.15Å; H186-F190 AromaticContact CD2-CD1 3.93Å; H186-F190 AromaticContact CD2-CE1 3.18Å; H186-F190 WeakPolarHBondContact CD2-CE1 3.2Å; H186-F190 AromaticContact CD2-CE2 3.74Å; H186-F190 AromaticContact CD2-CZ 3.12Å; H186-F190 WeakPolarHBondContact CD2-CZ 3.49Å; H186-F190 AromaticContact CE1-CE1 3.96Å; H186-F190 AromaticContact CE1-CZ 3.36Å; H186-F190 WeakPolarHBondContact CE1-CZ 2.91Å; H186-F190 AromaticContact CG-CE2 3.93Å; H186-F190 AromaticContact CG-CZ 3.67Å; H186-F190 AromaticContact ND1-CZ 3.77Å; H186-F190 AromaticContact NE2-CE1 3.11Å; H186-F190 WeakPolarHBondContact NE2-CE1 3.29Å; H186-F190 AromaticContact NE2-CE2 3.99Å; H186-F190 AromaticContact NE2-CZ 2.99Å; H186-F190 WeakPolarHBondContact NE2-CZ 3.4Å; H186-F190 WeakPolarHBondContact O-CD2 3.16Å; H186-F190 VanDerWaalsContact O-CG 3.27Å; H186-F190 WeakPolarHBondContact O-CG 3.45Å; H186-F190 PolarHBondContact O-N 2.7Å; H186-H213 AromaticContact CE1-NE2 3.67Å; H186-H213 AromaticContact NE2-CE1 3.72Å; H186-H213 AromaticContact NE2-NE2 3.76Å; H186-D214 IonicContact NE2-OD1 3.24Å |
| 187 | V | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -45.6 | 177.1 | 174.4 | 0 | 0 | 0 | 0 | 111 | A169 V172 D173 S183 V184 R189 F190 I191 M211 | A169-V187 HydrophobicContact CB-CB 4.31Å; A169-V187 HydrophobicContact CB-CG1 3.96Å; V172-V187 HydrophobicContact CB-CG1 3.7Å; V172-V187 HydrophobicContact CG1-CG1 3.47Å; V172-V187 VanDerWaalsContact CG1-CG1 3.47Å; V172-V187 HydrophobicContact CG1-CG2 4.44Å; D173-V187 HydrophobicContact CB-CG2 4.23Å; S183-V187 WeakPolarHBondContact O-CG2 3.42Å; S183-V187 PolarHBondContact O-N 2.98Å; V184-V187 PolarHBondContact O-N 3.18Å; V187-R189 VanDerWaalsContact C-N 3.29Å; V187-R189 PolarHBondContact O-N 3.11Å; V187-F190 WeakPolarHBondContact O-CB 3.23Å; V187-F190 PolarHBondContact O-N 2.86Å; V187-I191 HydrophobicContact CG1-CD1 3.94Å; V187-I191 WeakPolarHBondContact O-CG1 3.28Å; V187-I191 PolarHBondContact O-N 3.14Å; V187-M211 HydrophobicContact CG1-CE 4.28Å |
| 188 | R | 95.4 | Very high | 92.3 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 176.2 | -172.8 | 173.4 | -64.5 | 112.9 | 1.8 | 112.1 | A166 A169 E170 V184 D185 H186 I191 T192 | A166-R188 HydrophobicContact CB-CG 4.16Å; A166-R188 PolarHBondContact O-NE 2.88Å; A169-R188 HydrophobicContact CB-CB 3.73Å; A169-R188 HydrophobicContact CB-CG 4.42Å; E170-R188 IonicContact OE1-CZ 2.76Å; E170-R188 IonicContact OE1-NH2 4Å; E170-R188 PolarHBondContact OE1-NH2 2.88Å; E170-R188 IonicContact OE2-NH2 3.89Å; E170-R188 PolarHBondContact OE2-NH2 2.92Å; V184-R188 WeakPolarHBondContact O-CB 3.36Å; V184-R188 PolarHBondContact O-N 2.97Å; D185-R188 IonicContact OD1-NH1 2.65Å; D185-R188 PolarHBondContact OD1-NH1 3.24Å; H186-R188 VanDerWaalsContact C-N 3.34Å; H186-R188 PolarHBondContact O-N 3Å; R188-I191 PolarHBondContact O-N 2.91Å; R188-T192 WeakPolarHBondContact O-CB 3.24Å; R188-T192 WeakPolarHBondContact O-CG2 3.43Å; R188-T192 PolarHBondContact O-N 3.25Å; R188-T192 PolarHBondContact O-OG1 2.84Å |
| 189 | R | 92 | Very high | 93 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 25% | 0.245 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 177.5 | -165 | 169 | 67.1 | -128.5 | -8.5 | 111.3 | D185 H186 V187 I191 T192 T193 D214 | D185-R189 WeakPolarHBondContact O-CB 3.46Å; D185-R189 PolarHBondContact O-N 3Å; H186-R189 PolarHBondContact CD2-NH2 3.17Å; H186-R189 PolarHBondContact NE2-NH2 3.27Å; H186-R189 VanDerWaalsContact NE2-NH2 3.19Å; H186-R189 WeakPolarHBondContact O-CB 3.34Å; H186-R189 PolarHBondContact O-N 3.36Å; H186-R189 VanDerWaalsContact O-N 3.15Å; V187-R189 VanDerWaalsContact C-N 3.29Å; V187-R189 PolarHBondContact O-N 3.11Å; R189-I191 PolarHBondContact O-N 2.83Å; R189-T192 PolarHBondContact O-N 3.21Å; R189-T192 PolarHBondContact O-OG1 3.07Å; R189-T193 HydrophobicContact CG-CG2 4.1Å; R189-T193 WeakPolarHBondContact O-CB 3.34Å; R189-T193 WeakPolarHBondContact O-CG2 2.94Å; R189-T193 PolarHBondContact O-N 3.18Å; R189-T193 PolarHBondContact O-OG1 2.76Å; R189-D214 WeakPolarHBondContact CD-OD2 3.48Å; R189-D214 WeakPolarHBondContact CG-OD2 3.34Å; R189-D214 IonicContact CZ-OD2 3.23Å; R189-D214 VanDerWaalsContact CZ-OD2 3.3Å; R189-D214 IonicContact NE-OD2 3.3Å; R189-D214 PolarHBondContact NE-OD2 3.06Å; R189-D214 IonicContact NH2-OD1 2.67Å; R189-D214 IonicContact NH2-OD2 2.7Å; R189-D214 PolarHBondContact NH2-OD2 2.92Å; R189-D214 VanDerWaalsContact NH2-OD2 3.12Å |
| 190 | F | 94.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.7 | -49.5 | 174.3 | -58.4 | -32.6 | 0 | 0 | 0 | 112.2 | H186 V187 T192 T193 M194 M211 H213 D214 H221 | H186-F190 AromaticContact CD2-CD1 3.93Å; H186-F190 AromaticContact CD2-CE1 3.18Å; H186-F190 WeakPolarHBondContact CD2-CE1 3.2Å; H186-F190 AromaticContact CD2-CE2 3.74Å; H186-F190 AromaticContact CD2-CZ 3.12Å; H186-F190 WeakPolarHBondContact CD2-CZ 3.49Å; H186-F190 AromaticContact CE1-CE1 3.96Å; H186-F190 AromaticContact CE1-CZ 3.36Å; H186-F190 WeakPolarHBondContact CE1-CZ 2.91Å; H186-F190 AromaticContact CG-CE2 3.93Å; H186-F190 AromaticContact CG-CZ 3.67Å; H186-F190 AromaticContact ND1-CZ 3.77Å; H186-F190 AromaticContact NE2-CE1 3.11Å; H186-F190 WeakPolarHBondContact NE2-CE1 3.29Å; H186-F190 AromaticContact NE2-CE2 3.99Å; H186-F190 AromaticContact NE2-CZ 2.99Å; H186-F190 WeakPolarHBondContact NE2-CZ 3.4Å; H186-F190 WeakPolarHBondContact O-CD2 3.16Å; H186-F190 VanDerWaalsContact O-CG 3.27Å; H186-F190 WeakPolarHBondContact O-CG 3.45Å; H186-F190 PolarHBondContact O-N 2.7Å; V187-F190 WeakPolarHBondContact O-CB 3.23Å; V187-F190 PolarHBondContact O-N 2.86Å; F190-T192 VanDerWaalsContact C-N 3.27Å; F190-T192 PolarHBondContact O-N 3.07Å; F190-T193 PolarHBondContact O-N 3.5Å; F190-M194 WeakPolarHBondContact O-CB 3.45Å; F190-M194 PolarHBondContact O-N 3.05Å; F190-M211 HydrophobicContact CB-CE 3.18Å; F190-M211 HydrophobicContact CD2-CE 3.13Å; F190-M211 HydrophobicContact CE2-CE 4.19Å; F190-M211 HydrophobicContact CG-CE 3.57Å; F190-H213 HydrophobicContact CE1-CB 4.35Å; F190-H213 AromaticContact CE1-CD2 3.84Å; F190-H213 AromaticContact CE1-CE1 3.65Å; F190-H213 AromaticContact CE1-CG 3.73Å; F190-H213 AromaticContact CE1-ND1 3.62Å; F190-H213 AromaticContact CE1-NE2 3.83Å; F190-H213 HydrophobicContact CZ-CB 4.47Å; F190-H213 AromaticContact CZ-CD2 3.38Å; F190-H213 WeakPolarHBondContact CZ-CD2 3.28Å; F190-H213 AromaticContact CZ-CE1 3.75Å; F190-H213 AromaticContact CZ-CG 3.75Å; F190-H213 AromaticContact CZ-ND1 3.97Å; F190-H213 AromaticContact CZ-NE2 3.42Å; F190-H213 WeakPolarHBondContact CZ-NE2 3.46Å; F190-D214 HydrophobicContact CD1-CB 3.85Å; F190-D214 VanDerWaalsContact CD1-CG 3.42Å; F190-D214 WeakPolarHBondContact CD1-OD2 2.99Å; F190-D214 HydrophobicContact CE1-CB 4.2Å; F190-D214 VanDerWaalsContact CE1-CG 3.43Å; F190-D214 VanDerWaalsContact CE1-OD1 3.3Å; F190-D214 WeakPolarHBondContact CE1-OD1 3.33Å; F190-H221 AromaticContact CE2-NE2 3.74Å |
| 191 | I | 96.9 | Very high | 94.1 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.2 | -41.1 | -180 | -68.4 | 167.9 | 0 | 0 | 0 | 111.3 | L164 A169 V187 R188 R189 N196 M211 | L164-I191 HydrophobicContact CB-CD1 4.11Å; L164-I191 HydrophobicContact CB-CG1 4Å; L164-I191 HydrophobicContact CB-CG2 3.86Å; L164-I191 HydrophobicContact CD1-CD1 4.14Å; L164-I191 HydrophobicContact CD1-CG1 3.97Å; L164-I191 VanDerWaalsContact O-CG2 3.29Å; L164-I191 WeakPolarHBondContact O-CG2 3.11Å; A169-I191 HydrophobicContact CB-CD1 4.18Å; V187-I191 HydrophobicContact CG1-CD1 3.94Å; V187-I191 WeakPolarHBondContact O-CG1 3.28Å; V187-I191 PolarHBondContact O-N 3.14Å; R188-I191 PolarHBondContact O-N 2.91Å; R189-I191 PolarHBondContact O-N 2.83Å; I191-N196 PolarHBondContact O-ND2 2.82Å; I191-N196 VanDerWaalsContact O-ND2 3.13Å; I191-M211 HydrophobicContact CG1-SD 4.38Å |
| 192 | T | 94.9 | Very high | 94.7 | Very high | 86 Ų | 86 | 28 Ų | 28 | 53% | 0.528 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -88.1 | -16.1 | -172.2 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | A166 R188 R189 F190 | A166-T192 HydrophobicContact CB-CG2 3.74Å; R188-T192 WeakPolarHBondContact O-CB 3.24Å; R188-T192 WeakPolarHBondContact O-CG2 3.43Å; R188-T192 PolarHBondContact O-N 3.25Å; R188-T192 PolarHBondContact O-OG1 2.84Å; R189-T192 PolarHBondContact O-N 3.21Å; R189-T192 PolarHBondContact O-OG1 3.07Å; F190-T192 VanDerWaalsContact C-N 3.27Å; F190-T192 PolarHBondContact O-N 3.07Å |
| 193 | T | 94 | Very high | 95.3 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -121.8 | -16.6 | -171.5 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | T34 A35 R189 F190 | T34-T193 PolarHBondContact OG1-O 3.13Å; A35-T193 HydrophobicContact CB-CG2 3.89Å; R189-T193 HydrophobicContact CG-CG2 4.1Å; R189-T193 WeakPolarHBondContact O-CB 3.34Å; R189-T193 WeakPolarHBondContact O-CG2 2.94Å; R189-T193 PolarHBondContact O-N 3.18Å; R189-T193 PolarHBondContact O-OG1 2.76Å; F190-T193 PolarHBondContact O-N 3.5Å |
| 194 | M | 96.2 | Very high | 95.6 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.069 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -128.7 | 157.4 | -174.8 | -60.6 | -57.4 | -71.4 | 0 | 0 | 111.5 | I32 F190 N196 V212 D214 L250 | I32-M194 HydrophobicContact CD1-CE 4.09Å; I32-M194 HydrophobicContact CG1-CE 4.02Å; I32-M194 HydrophobicContact CG2-SD 4.43Å; F190-M194 WeakPolarHBondContact O-CB 3.45Å; F190-M194 PolarHBondContact O-N 3.05Å; M194-N196 PolarHBondContact O-N 3.33Å; M194-V212 HydrophobicContact CB-CB 4.01Å; M194-V212 HydrophobicContact CB-CG1 4.38Å; M194-V212 VanDerWaalsContact CB-O 3.29Å; M194-V212 WeakPolarHBondContact CB-O 3.24Å; M194-V212 HydrophobicContact CE-CB 4.36Å; M194-V212 HydrophobicContact CE-CG1 3.52Å; M194-D214 HydrophobicContact CG-CB 3.67Å; M194-D214 HydrophobicContact SD-CB 4.29Å; M194-L250 HydrophobicContact CE-CD1 3.71Å |
| 195 | P | 97.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 14% | 0.143 | 21% | 0.209 | C | C | . | . | trans | -54.6 | 135.8 | 173.1 | -26.5 | 35.6 | 0 | 0 | 0 | 112.1 | V212 L241 K244 S248 | P195-V212 HydrophobicContact CB-CG2 4.22Å; P195-V212 WeakPolarHBondContact O-CG2 3.25Å; P195-V212 PolarHBondContact O-N 3Å; P195-L241 HydrophobicContact CB-CD1 4.18Å; P195-K244 HydrophobicContact CB-CB 3.84Å; P195-K244 HydrophobicContact CB-CD 4.47Å; P195-S248 VanDerWaalsContact CG-OG 3.26Å; P195-S248 WeakPolarHBondContact CG-OG 3.48Å | ||
| 196 | N | 98.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 161.4 | 170.1 | 71.9 | 76.9 | 0 | 0 | 0 | 109.7 | E163 L164 I191 M194 M211 K244 | E163-N196 WeakPolarHBondContact CA-OD1 3.32Å; L164-N196 PolarHBondContact N-OD1 2.9Å; I191-N196 PolarHBondContact O-ND2 2.82Å; I191-N196 VanDerWaalsContact O-ND2 3.13Å; M194-N196 PolarHBondContact O-N 3.33Å; N196-M211 HydrophobicContact CB-CB 3.84Å; N196-K244 PolarHBondContact O-NZ 2.58Å |
| 197 | V | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 133.4 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 107.7 | F161 F209 S210 I237 V240 L241 K244 | F161-V197 HydrophobicContact CD1-CG1 4Å; V197-F209 CarbonylContact O-C 3.26Å; V197-F209 VanDerWaalsContact O-CA 3.28Å; V197-F209 WeakPolarHBondContact O-CA 3.09Å; V197-S210 PolarHBondContact N-O 3.45Å; V197-S210 PolarHBondContact O-N 3.09Å; V197-S210 VanDerWaalsContact O-O 3.07Å; V197-I237 HydrophobicContact CB-CG2 4.19Å; V197-I237 HydrophobicContact CG1-CB 4.49Å; V197-I237 HydrophobicContact CG1-CG1 4.3Å; V197-I237 HydrophobicContact CG1-CG2 4.2Å; V197-V240 HydrophobicContact CG1-CB 4.16Å; V197-V240 HydrophobicContact CG1-CG1 4.05Å; V197-V240 HydrophobicContact CG2-CB 4.12Å; V197-V240 HydrophobicContact CG2-CG1 3.65Å; V197-L241 HydrophobicContact CB-CB 4.44Å; V197-L241 HydrophobicContact CG2-CB 3.94Å; V197-L241 HydrophobicContact CG2-CD1 3.96Å; V197-K244 HydrophobicContact CG2-CD 3.81Å |
| 198 | C | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 168.3 | 164.3 | 76.1 | 0 | 0 | 0 | 0 | 111.4 | F161 D162 E163 L164 L206 G208 F209 | F161-C198 WeakPolarHBondContact CA-O 3.27Å; D162-C198 PolarHBondContact N-O 3.38Å; D162-C198 PolarHBondContact O-N 3.08Å; E163-C198 PolarHBondContact O-SG 3.12Å; E163-C198 VanDerWaalsContact O-SG 3.39Å; L164-C198 HydrophobicContact CD2-CB 4Å; L164-C198 HydrophobicContact CG-CB 4.13Å; C198-L206 HydrophobicContact CB-CD1 3.52Å; C198-G208 CarbonylContact C-O 3.53Å; C198-G208 VanDerWaalsContact CA-O 3.25Å; C198-G208 WeakPolarHBondContact CA-O 3.36Å; C198-G208 WeakPolarHBondContact CB-O 3.27Å; C198-F209 HydrophobicContact CB-CB 3.89Å |
| 199 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132 | 170.6 | 170.9 | 0 | 0 | 0 | 0 | 107.2 | L155 F159 Y160 F161 A207 G208 I233 I237 | L155-V199 HydrophobicContact CD1-CG1 3.96Å; L155-V199 HydrophobicContact CD1-CG2 3.98Å; L155-V199 HydrophobicContact CD2-CG1 4.14Å; L155-V199 HydrophobicContact CD2-CG2 3.85Å; F159-V199 HydrophobicContact CB-CG1 4.02Å; F159-V199 HydrophobicContact CD1-CG1 3.86Å; F159-V199 HydrophobicContact CG-CG1 4.41Å; Y160-V199 VanDerWaalsContact O-CA 3.3Å; Y160-V199 WeakPolarHBondContact O-CA 3.37Å; F161-V199 HydrophobicContact CD1-CG2 3.65Å; F161-V199 HydrophobicContact CE1-CG2 3.8Å; V199-A207 HydrophobicContact CG1-CB 4.18Å; V199-A207 WeakPolarHBondContact O-CA 3.21Å; V199-A207 WeakPolarHBondContact O-CB 3.48Å; V199-A207 PolarHBondContact O-N 2.98Å; V199-G208 PolarHBondContact N-O 2.95Å; V199-G208 PolarHBondContact O-N 3.36Å; V199-I233 HydrophobicContact CB-CG2 3.93Å; V199-I233 HydrophobicContact CG1-CD1 4.48Å; V199-I233 HydrophobicContact CG1-CG2 4.19Å; V199-I233 HydrophobicContact CG2-CG2 4.06Å; V199-I237 HydrophobicContact CB-CD1 4.34Å; V199-I237 HydrophobicContact CG2-CD1 3.9Å; V199-I237 HydrophobicContact CG2-CG1 3.61Å |
| 200 | R | 98.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 27.9 Ų | 27.9 | 6% | 0.064 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 155 | 174.2 | -59.1 | -175.5 | -168.6 | -74.6 | -7 | 110.4 | F159 Y160 D162 E163 E168 Q205 | F159-R200 CarbonylContact C-O 3.56Å; F159-R200 VanDerWaalsContact CA-O 3.25Å; F159-R200 WeakPolarHBondContact CA-O 3.32Å; Y160-R200 HydrophobicContact CE1-CB 4.03Å; Y160-R200 HydrophobicContact CE2-CB 3.93Å; Y160-R200 HydrophobicContact CE2-CG 4.45Å; Y160-R200 PolarHBondContact N-O 3.09Å; Y160-R200 PolarHBondContact O-N 3.15Å; D162-R200 HydrophobicContact CB-CG 4.42Å; D162-R200 WeakPolarHBondContact OD2-CD 3.33Å; D162-R200 IonicContact OD2-CZ 3Å; D162-R200 IonicContact OD2-NE 3.38Å; D162-R200 PolarHBondContact OD2-NE 3.02Å; E163-R200 PolarHBondContact O-NH2 2.82Å; E163-R200 VanDerWaalsContact O-NH2 3.11Å; E168-R200 VanDerWaalsContact CD-NH2 3.28Å; E168-R200 IonicContact OE1-CZ 2.81Å; E168-R200 IonicContact OE1-NH1 3.01Å; E168-R200 PolarHBondContact OE1-NH1 2.84Å; E168-R200 IonicContact OE1-NH2 3.34Å; E168-R200 PolarHBondContact OE1-NH2 2.84Å; E168-R200 IonicContact OE2-CZ 3.78Å; E168-R200 IonicContact OE2-NH1 2.79Å; E168-R200 IonicContact OE2-NH2 3.84Å; E168-R200 PolarHBondContact OE2-NH2 2.91Å; R200-Q205 CarbonylContact C-O 3.58Å; R200-Q205 WeakPolarHBondContact CA-O 3.35Å |
| 201 | N | 97.5 | Very high | 97.5 | Very high | 11 Ų | 11 | 27.9 Ų | 27.9 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 177.6 | 168.5 | 73.7 | 5 | 0 | 0 | 0 | 111.3 | G158 F159 Y160 D203 G204 Q205 | G158-N201 CarbonylContact O-C 3.59Å; G158-N201 VanDerWaalsContact O-C 3.26Å; G158-N201 WeakPolarHBondContact O-CA 3.42Å; F159-N201 HydrophobicContact CD1-CB 4.02Å; F159-N201 HydrophobicContact CE1-CB 3.8Å; F159-N201 HydrophobicContact CZ-CB 4.13Å; Y160-N201 VanDerWaalsContact CE1-O 3.23Å; Y160-N201 WeakPolarHBondContact CE1-O 3.38Å; N201-D203 PolarHBondContact O-N 2.84Å; N201-D203 VanDerWaalsContact O-N 3.14Å; N201-D203 WeakPolarHBondContact OD1-CA 3.48Å; N201-D203 WeakPolarHBondContact OD1-CB 3.31Å; N201-D203 PolarHBondContact OD1-N 2.98Å; N201-G204 PolarHBondContact O-N 2.92Å; N201-G204 PolarHBondContact OD1-N 3.36Å; N201-Q205 PolarHBondContact N-O 3.3Å; N201-Q205 PolarHBondContact ND2-OE1 2.88Å; N201-Q205 WeakPolarHBondContact OD1-CB 3.47Å; N201-Q205 PolarHBondContact OD1-N 2.83Å |
| 202 | S | 97 | Very high | 97.5 | Very high | 90 Ų | 90 | 27.3 Ų | 27.3 | 63% | 0.629 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.1 | -179.4 | 51 | 0 | 0 | 0 | 0 | 113.8 | G158 G204 | G158-S202 PolarHBondContact O-N 3.21Å; S202-G204 VanDerWaalsContact C-N 3.27Å |
| 203 | D | 96.9 | Very high | 97.5 | Very high | 128 Ų | 128 | 24.2 Ų | 24.2 | 68% | 0.684 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.6 | 177.3 | -54.4 | -36.3 | 0 | 0 | 0 | 112.1 | N201 Q205 | N201-D203 PolarHBondContact O-N 2.84Å; N201-D203 VanDerWaalsContact O-N 3.14Å; N201-D203 WeakPolarHBondContact OD1-CA 3.48Å; N201-D203 WeakPolarHBondContact OD1-CB 3.31Å; N201-D203 PolarHBondContact OD1-N 2.98Å; D203-Q205 VanDerWaalsContact C-N 3.28Å; D203-Q205 HydrophobicContact CB-CG 4.24Å; D203-Q205 PolarHBondContact O-N 2.81Å |
| 204 | G | 96.4 | Very high | 97.3 | Very high | 33 Ų | 33 | 22.3 Ų | 22.3 | 34% | 0.34 | 13% | 0.13 | S | C | . | . | trans | 79.5 | 4.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N201 S202 | N201-G204 PolarHBondContact O-N 2.92Å; N201-G204 PolarHBondContact OD1-N 3.36Å; S202-G204 VanDerWaalsContact C-N 3.27Å | ||
| 205 | Q | 96.8 | Very high | 97.1 | Very high | 107 Ų | 107 | 22.7 Ų | 22.7 | 50% | 0.5 | 13% | 0.132 | S | C | . | . | trans | -73 | 132.6 | -179.5 | -57.5 | 178.7 | -43.7 | 0 | 0 | 110.7 | R200 N201 D203 A207 | R200-Q205 CarbonylContact C-O 3.58Å; R200-Q205 WeakPolarHBondContact CA-O 3.35Å; N201-Q205 PolarHBondContact N-O 3.3Å; N201-Q205 PolarHBondContact ND2-OE1 2.88Å; N201-Q205 WeakPolarHBondContact OD1-CB 3.47Å; N201-Q205 PolarHBondContact OD1-N 2.83Å; D203-Q205 VanDerWaalsContact C-N 3.28Å; D203-Q205 HydrophobicContact CB-CG 4.24Å; D203-Q205 PolarHBondContact O-N 2.81Å; Q205-A207 PolarHBondContact O-N 3.22Å | ||
| 206 | L | 98.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 22.7 Ų | 22.7 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 118.3 | 176 | -175.1 | 64.5 | 0 | 0 | 0 | 110.3 | L164 L171 C198 F209 M225 | L164-L206 HydrophobicContact CD2-CD1 4.11Å; L164-L206 HydrophobicContact CD2-CD2 4.13Å; L171-L206 HydrophobicContact CD2-CD2 3.8Å; C198-L206 HydrophobicContact CB-CD1 3.52Å; L206-F209 HydrophobicContact CD1-CD1 4.44Å; L206-F209 HydrophobicContact CD2-CD1 3.74Å; L206-F209 HydrophobicContact CD2-CE1 4.16Å; L206-F209 HydrophobicContact CG-CD1 4.2Å; L206-M225 HydrophobicContact CB-CE 4.29Å; L206-M225 HydrophobicContact CD2-CE 3.84Å; L206-M225 HydrophobicContact CG-CE 4.02Å; L206-M225 VanDerWaalsContact O-CG 3.24Å; L206-M225 WeakPolarHBondContact O-CG 3.2Å |
| 207 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -31.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F159 V199 Q205 T224 M225 F228 I233 | F159-A207 HydrophobicContact CD1-CB 3.93Å; F159-A207 HydrophobicContact CE1-CB 3.68Å; V199-A207 HydrophobicContact CG1-CB 4.18Å; V199-A207 WeakPolarHBondContact O-CA 3.21Å; V199-A207 WeakPolarHBondContact O-CB 3.48Å; V199-A207 PolarHBondContact O-N 2.98Å; Q205-A207 PolarHBondContact O-N 3.22Å; A207-T224 WeakPolarHBondContact O-CA 3.38Å; A207-T224 WeakPolarHBondContact O-CG2 3.29Å; A207-M225 PolarHBondContact O-N 3.14Å; A207-F228 HydrophobicContact CB-CB 4.16Å; A207-F228 HydrophobicContact CB-CD2 3.48Å; A207-F228 VanDerWaalsContact CB-CD2 3.48Å; A207-F228 HydrophobicContact CB-CE2 3.97Å; A207-F228 HydrophobicContact CB-CG 3.86Å; A207-I233 HydrophobicContact CB-CD1 4.02Å |
| 208 | G | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | 163.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | C198 V199 Y223 I237 | C198-G208 CarbonylContact C-O 3.53Å; C198-G208 VanDerWaalsContact CA-O 3.25Å; C198-G208 WeakPolarHBondContact CA-O 3.36Å; C198-G208 WeakPolarHBondContact CB-O 3.27Å; V199-G208 PolarHBondContact N-O 2.95Å; V199-G208 PolarHBondContact O-N 3.36Å; G208-Y223 CarbonylContact C-O 3.35Å; G208-Y223 WeakPolarHBondContact CA-O 2.87Å; G208-I237 VanDerWaalsContact C-CD1 3.4Å |
| 209 | F | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 162.4 | -178.9 | 57.4 | -93.5 | 0 | 0 | 0 | 111.9 | L164 V172 L175 V197 C198 L206 H221 L222 Y223 M225 | L164-F209 HydrophobicContact CD1-CB 3.99Å; L164-F209 HydrophobicContact CD1-CD2 4.27Å; L164-F209 HydrophobicContact CD1-CG 4.27Å; L164-F209 HydrophobicContact CD2-CB 3.98Å; L164-F209 HydrophobicContact CD2-CG 4.32Å; L164-F209 HydrophobicContact CG-CB 4.19Å; V172-F209 HydrophobicContact CB-CE2 4.18Å; V172-F209 HydrophobicContact CB-CZ 4.18Å; V172-F209 HydrophobicContact CG1-CD2 4.35Å; V172-F209 HydrophobicContact CG1-CE2 3.63Å; V172-F209 HydrophobicContact CG1-CZ 4.04Å; V172-F209 HydrophobicContact CG2-CD1 4.44Å; V172-F209 HydrophobicContact CG2-CD2 4.13Å; V172-F209 HydrophobicContact CG2-CE1 4.15Å; V172-F209 HydrophobicContact CG2-CE2 3.83Å; V172-F209 HydrophobicContact CG2-CG 4.43Å; V172-F209 HydrophobicContact CG2-CZ 3.83Å; L175-F209 HydrophobicContact CD1-CE1 3.79Å; L175-F209 HydrophobicContact CD1-CZ 3.89Å; V197-F209 CarbonylContact O-C 3.26Å; V197-F209 VanDerWaalsContact O-CA 3.28Å; V197-F209 WeakPolarHBondContact O-CA 3.09Å; C198-F209 HydrophobicContact CB-CB 3.89Å; L206-F209 HydrophobicContact CD1-CD1 4.44Å; L206-F209 HydrophobicContact CD2-CD1 3.74Å; L206-F209 HydrophobicContact CD2-CE1 4.16Å; L206-F209 HydrophobicContact CG-CD1 4.2Å; F209-H221 WeakPolarHBondContact CD2-O 3.23Å; F209-H221 HydrophobicContact CE2-CB 4.23Å; F209-H221 WeakPolarHBondContact CE2-O 3.39Å; F209-L222 WeakPolarHBondContact O-CA 3.44Å; F209-Y223 HydrophobicContact CE1-CD1 4.21Å; F209-Y223 HydrophobicContact CE1-CG 4.46Å; F209-Y223 HydrophobicContact CZ-CD1 4.39Å; F209-Y223 HydrophobicContact CZ-CG 4.24Å; F209-Y223 PolarHBondContact N-O 3.28Å; F209-Y223 PolarHBondContact O-N 3.06Å; F209-M225 HydrophobicContact CE1-CE 4.21Å |
| 210 | S | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 161.2 | 166.5 | -164.1 | 0 | 0 | 0 | 0 | 109.2 | V197 E219 V220 | V197-S210 PolarHBondContact N-O 3.45Å; V197-S210 PolarHBondContact O-N 3.09Å; V197-S210 VanDerWaalsContact O-O 3.07Å; S210-E219 WeakPolarHBondContact CB-OE1 3.3Å; S210-E219 WeakPolarHBondContact OG-CG 3.4Å; S210-E219 PolarHBondContact OG-OE1 2.97Å; S210-V220 PolarHBondContact OG-O 2.9Å |
| 211 | M | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 163.4 | -167.5 | 36.9 | -170.4 | -83.3 | 0 | 0 | 111.2 | L164 V172 V187 F190 I191 N196 E219 V220 H221 | L164-M211 HydrophobicContact CD1-SD 4.11Å; V172-M211 HydrophobicContact CG1-SD 3.98Å; V187-M211 HydrophobicContact CG1-CE 4.28Å; F190-M211 HydrophobicContact CB-CE 3.18Å; F190-M211 HydrophobicContact CD2-CE 3.13Å; F190-M211 HydrophobicContact CE2-CE 4.19Å; F190-M211 HydrophobicContact CG-CE 3.57Å; I191-M211 HydrophobicContact CG1-SD 4.38Å; N196-M211 HydrophobicContact CB-CB 3.84Å; M211-E219 CarbonylContact O-C 3.52Å; M211-E219 WeakPolarHBondContact O-CA 3.49Å; M211-V220 HydrophobicContact CG-CG2 4.24Å; M211-V220 WeakPolarHBondContact CG-O 3.38Å; M211-V220 PolarHBondContact N-O 2.8Å; M211-V220 VanDerWaalsContact N-O 3.15Å; M211-V220 VanDerWaalsContact O-CG2 3.31Å; M211-V220 WeakPolarHBondContact O-CG2 3.48Å; M211-V220 PolarHBondContact O-N 2.85Å; M211-H221 HydrophobicContact CG-CB 3.96Å; M211-H221 HydrophobicContact SD-CB 4.13Å |
| 212 | V | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.8 | 179.5 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | M194 P195 N218 L241 M245 L250 | M194-V212 HydrophobicContact CB-CB 4.01Å; M194-V212 HydrophobicContact CB-CG1 4.38Å; M194-V212 VanDerWaalsContact CB-O 3.29Å; M194-V212 WeakPolarHBondContact CB-O 3.24Å; M194-V212 HydrophobicContact CE-CB 4.36Å; M194-V212 HydrophobicContact CE-CG1 3.52Å; P195-V212 HydrophobicContact CB-CG2 4.22Å; P195-V212 WeakPolarHBondContact O-CG2 3.25Å; P195-V212 PolarHBondContact O-N 3Å; V212-N218 WeakPolarHBondContact CA-O 3.28Å; V212-L241 HydrophobicContact CG2-CD1 4Å; V212-L241 HydrophobicContact CG2-CD2 4.37Å; V212-L241 HydrophobicContact CG2-CG 4.24Å; V212-M245 HydrophobicContact CG2-CE 4.25Å; V212-M245 HydrophobicContact CG2-CG 3.58Å; V212-M245 HydrophobicContact CG2-SD 3.97Å; V212-L250 HydrophobicContact CG1-CD1 3.96Å |
| 213 | H | 93.8 | Very high | 96.1 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 9% | 0.093 | 13% | 0.133 | C | C | . | . | trans | -70.5 | 131 | 176.9 | -168 | -57.3 | 0 | 0 | 0 | 110.7 | H186 F190 L215 M216 G217 N218 V220 | H186-H213 AromaticContact CE1-NE2 3.67Å; H186-H213 AromaticContact NE2-CE1 3.72Å; H186-H213 AromaticContact NE2-NE2 3.76Å; F190-H213 HydrophobicContact CE1-CB 4.35Å; F190-H213 AromaticContact CE1-CD2 3.84Å; F190-H213 AromaticContact CE1-CE1 3.65Å; F190-H213 AromaticContact CE1-CG 3.73Å; F190-H213 AromaticContact CE1-ND1 3.62Å; F190-H213 AromaticContact CE1-NE2 3.83Å; F190-H213 HydrophobicContact CZ-CB 4.47Å; F190-H213 AromaticContact CZ-CD2 3.38Å; F190-H213 WeakPolarHBondContact CZ-CD2 3.28Å; F190-H213 AromaticContact CZ-CE1 3.75Å; F190-H213 AromaticContact CZ-CG 3.75Å; F190-H213 AromaticContact CZ-ND1 3.97Å; F190-H213 AromaticContact CZ-NE2 3.42Å; F190-H213 WeakPolarHBondContact CZ-NE2 3.46Å; H213-L215 PolarHBondContact ND1-N 2.64Å; H213-L215 PolarHBondContact O-N 2.6Å; H213-M216 HydrophobicContact CB-CB 4.37Å; H213-M216 WeakPolarHBondContact CD2-CE 3.44Å; H213-M216 PolarHBondContact ND1-N 3.35Å; H213-M216 WeakPolarHBondContact NE2-CE 3.36Å; H213-G217 VanDerWaalsContact O-CA 3.23Å; H213-G217 WeakPolarHBondContact O-CA 3.13Å; H213-G217 PolarHBondContact O-N 2.94Å; H213-N218 PolarHBondContact N-O 2.99Å; H213-V220 HydrophobicContact CB-CG1 3.97Å; H213-V220 HydrophobicContact CB-CG2 4.08Å | ||
| 214 | D | 91.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -24.3 | -174.6 | 61 | 18.3 | 0 | 0 | 0 | 115.9 | I32 H186 R189 F190 M194 | I32-D214 VanDerWaalsContact CD1-O 3.25Å; I32-D214 WeakPolarHBondContact CD1-O 3.22Å; H186-D214 IonicContact NE2-OD1 3.24Å; R189-D214 WeakPolarHBondContact CD-OD2 3.48Å; R189-D214 WeakPolarHBondContact CG-OD2 3.34Å; R189-D214 IonicContact CZ-OD2 3.23Å; R189-D214 VanDerWaalsContact CZ-OD2 3.3Å; R189-D214 IonicContact NE-OD2 3.3Å; R189-D214 PolarHBondContact NE-OD2 3.06Å; R189-D214 IonicContact NH2-OD1 2.67Å; R189-D214 IonicContact NH2-OD2 2.7Å; R189-D214 PolarHBondContact NH2-OD2 2.92Å; R189-D214 VanDerWaalsContact NH2-OD2 3.12Å; F190-D214 HydrophobicContact CD1-CB 3.85Å; F190-D214 VanDerWaalsContact CD1-CG 3.42Å; F190-D214 WeakPolarHBondContact CD1-OD2 2.99Å; F190-D214 HydrophobicContact CE1-CB 4.2Å; F190-D214 VanDerWaalsContact CE1-CG 3.43Å; F190-D214 VanDerWaalsContact CE1-OD1 3.3Å; F190-D214 WeakPolarHBondContact CE1-OD1 3.33Å; M194-D214 HydrophobicContact CG-CB 3.67Å; M194-D214 HydrophobicContact SD-CB 4.29Å |
| 215 | L | 90.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 19.1 Ų | 19.1 | 12% | 0.115 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -48.5 | 171.4 | -179.4 | 60 | 0 | 0 | 0 | 112.8 | M29 I32 L39 H213 | M29-L215 HydrophobicContact CE-CD1 3.88Å; M29-L215 HydrophobicContact CE-CG 4.02Å; M29-L215 VanDerWaalsContact CG-O 3.3Å; M29-L215 WeakPolarHBondContact CG-O 3.44Å; I32-L215 WeakPolarHBondContact CD1-O 3.46Å; L39-L215 HydrophobicContact CD2-CD1 3.59Å; H213-L215 PolarHBondContact ND1-N 2.64Å; H213-L215 PolarHBondContact O-N 2.6Å |
| 216 | M | 92.1 | Very high | 96.2 | Very high | 22 Ų | 22 | 17.6 Ų | 17.6 | 11% | 0.108 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -19.6 | -166.7 | -64 | -177.1 | -68.4 | 0 | 0 | 113.5 | V25 N28 Y106 H213 N218 | V25-M216 HydrophobicContact CG1-CB 4.23Å; N28-M216 WeakPolarHBondContact CB-O 3.43Å; Y106-M216 HydrophobicContact CE2-CG 4.14Å; Y106-M216 HydrophobicContact CE2-SD 3.34Å; Y106-M216 WeakPolarHBondContact CE2-SD 3.42Å; Y106-M216 PolarHBondContact OH-SD 2.74Å; H213-M216 HydrophobicContact CB-CB 4.37Å; H213-M216 WeakPolarHBondContact CD2-CE 3.44Å; H213-M216 PolarHBondContact ND1-N 3.35Å; H213-M216 WeakPolarHBondContact NE2-CE 3.36Å; M216-N218 WeakPolarHBondContact CB-OD1 3.5Å; M216-N218 PolarHBondContact O-N 2.86Å |
| 217 | G | 94.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | 66.4 | 19.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N28 H213 M245 | N28-G217 PolarHBondContact ND2-O 3.41Å; H213-G217 VanDerWaalsContact O-CA 3.23Å; H213-G217 WeakPolarHBondContact O-CA 3.13Å; H213-G217 PolarHBondContact O-N 2.94Å; G217-M245 WeakPolarHBondContact O-CE 3.45Å | ||
| 218 | N | 95.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -97.5 | 159.8 | 172.9 | 67.8 | -78.5 | 0 | 0 | 0 | 111 | V212 H213 M216 V220 C253 Y255 | V212-N218 WeakPolarHBondContact CA-O 3.28Å; H213-N218 PolarHBondContact N-O 2.99Å; M216-N218 WeakPolarHBondContact CB-OD1 3.5Å; M216-N218 PolarHBondContact O-N 2.86Å; N218-V220 WeakPolarHBondContact ND2-CG1 3.2Å; N218-C253 CarbonylContact C-O 3.59Å; N218-C253 WeakPolarHBondContact CA-O 3.41Å; N218-C253 WeakPolarHBondContact CB-O 3.41Å; N218-C253 VanDerWaalsContact CB-SG 3.5Å; N218-Y255 HydrophobicContact CB-CD2 4.48Å; N218-Y255 HydrophobicContact CB-CE2 3.77Å; N218-Y255 WeakPolarHBondContact ND2-CD2 3.44Å; N218-Y255 WeakPolarHBondContact ND2-CE2 3.29Å; N218-Y255 WeakPolarHBondContact OD1-CE2 3.34Å |
| 219 | E | 97.6 | Very high | 96 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 137.6 | 169.8 | 174.1 | 177 | -168.4 | 0 | 0 | 111.3 | S210 M211 L241 C253 K254 W273 | S210-E219 WeakPolarHBondContact CB-OE1 3.3Å; S210-E219 WeakPolarHBondContact OG-CG 3.4Å; S210-E219 PolarHBondContact OG-OE1 2.97Å; M211-E219 CarbonylContact O-C 3.52Å; M211-E219 WeakPolarHBondContact O-CA 3.49Å; E219-L241 HydrophobicContact CB-CD2 4.24Å; E219-L241 HydrophobicContact CG-CD2 3.76Å; E219-C253 PolarHBondContact N-O 2.77Å; E219-K254 HydrophobicContact CB-CB 3.82Å; E219-K254 HydrophobicContact CG-CB 4.43Å; E219-W273 WeakPolarHBondContact OE2-CZ2 3.36Å |
| 220 | V | 95.5 | Very high | 95.7 | Very high | 26 Ų | 26 | 34 Ų | 34 | 16% | 0.158 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 159.9 | -178.8 | -71 | 0 | 0 | 0 | 0 | 111.3 | S210 M211 H213 N218 L222 | S210-V220 PolarHBondContact OG-O 2.9Å; M211-V220 HydrophobicContact CG-CG2 4.24Å; M211-V220 WeakPolarHBondContact CG-O 3.38Å; M211-V220 PolarHBondContact N-O 2.8Å; M211-V220 VanDerWaalsContact N-O 3.15Å; M211-V220 VanDerWaalsContact O-CG2 3.31Å; M211-V220 WeakPolarHBondContact O-CG2 3.48Å; M211-V220 PolarHBondContact O-N 2.85Å; H213-V220 HydrophobicContact CB-CG1 3.97Å; H213-V220 HydrophobicContact CB-CG2 4.08Å; N218-V220 WeakPolarHBondContact ND2-CG1 3.2Å; V220-L222 VanDerWaalsContact C-N 3.28Å; V220-L222 PolarHBondContact O-N 3.29Å |
| 221 | H | 95.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 15% | 0.148 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.1 | 28.7 | 172.9 | -54.6 | -86.1 | 0 | 0 | 0 | 116.1 | W176 F190 F209 M211 Y223 | W176-H221 AromaticContact CD1-CE1 3.93Å; W176-H221 AromaticContact CD1-ND1 3.8Å; W176-H221 AromaticContact CD2-CE1 3.3Å; W176-H221 AromaticContact CD2-ND1 3.88Å; W176-H221 AromaticContact CE2-CE1 3.44Å; W176-H221 VanDerWaalsContact CE2-CE1 3.44Å; W176-H221 AromaticContact CE3-CE1 3.57Å; W176-H221 AromaticContact CG-CE1 3.64Å; W176-H221 AromaticContact CG-ND1 3.69Å; W176-H221 AromaticContact CZ2-CE1 3.85Å; W176-H221 AromaticContact CZ3-CE1 3.93Å; W176-H221 AromaticContact NE1-CE1 3.83Å; F190-H221 AromaticContact CE2-NE2 3.74Å; F209-H221 WeakPolarHBondContact CD2-O 3.23Å; F209-H221 HydrophobicContact CE2-CB 4.23Å; F209-H221 WeakPolarHBondContact CE2-O 3.39Å; M211-H221 HydrophobicContact CG-CB 3.96Å; M211-H221 HydrophobicContact SD-CB 4.13Å; H221-Y223 PolarHBondContact O-N 2.85Å; H221-Y223 VanDerWaalsContact O-N 3.07Å |
| 222 | L | 97.4 | Very high | 95.4 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 120 | 170.2 | 179.4 | 68.2 | 0 | 0 | 0 | 110.3 | F209 V220 A234 I237 E238 M266 | F209-L222 WeakPolarHBondContact O-CA 3.44Å; V220-L222 VanDerWaalsContact C-N 3.28Å; V220-L222 PolarHBondContact O-N 3.29Å; L222-A234 HydrophobicContact CD1-CB 4.12Å; L222-A234 HydrophobicContact CD2-CB 4.24Å; L222-A234 HydrophobicContact CG-CB 4.38Å; L222-I237 HydrophobicContact CD1-CB 4.33Å; L222-I237 HydrophobicContact CD1-CG2 4.01Å; L222-E238 HydrophobicContact CD1-CG 4.31Å; L222-E238 HydrophobicContact CD2-CG 3.9Å; L222-E238 WeakPolarHBondContact CD2-OE1 3.47Å; L222-M266 HydrophobicContact CD2-CE 3.51Å |
| 223 | Y | 97.6 | Very high | 95.4 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 24% | 0.239 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 148.3 | 180 | -164.4 | -92.5 | 0 | 0 | 0 | 111.3 | L175 G208 F209 H221 M225 R229 | L175-Y223 HydrophobicContact CB-CE2 4.43Å; L175-Y223 HydrophobicContact CD1-CD1 3.93Å; L175-Y223 HydrophobicContact CD1-CE1 3.92Å; L175-Y223 HydrophobicContact CD2-CE1 4.05Å; L175-Y223 HydrophobicContact CG-CE1 4.41Å; G208-Y223 CarbonylContact C-O 3.35Å; G208-Y223 WeakPolarHBondContact CA-O 2.87Å; F209-Y223 HydrophobicContact CE1-CD1 4.21Å; F209-Y223 HydrophobicContact CE1-CG 4.46Å; F209-Y223 HydrophobicContact CZ-CD1 4.39Å; F209-Y223 HydrophobicContact CZ-CG 4.24Å; F209-Y223 PolarHBondContact N-O 3.28Å; F209-Y223 PolarHBondContact O-N 3.06Å; H221-Y223 PolarHBondContact O-N 2.85Å; H221-Y223 VanDerWaalsContact O-N 3.07Å; Y223-M225 HydrophobicContact CD1-SD 4.01Å; Y223-M225 HydrophobicContact CE1-SD 3.72Å; Y223-R229 PolarHBondContact OH-NH2 2.51Å |
| 224 | T | 97.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 127.5 | 169.3 | -59.9 | 0 | 0 | 0 | 0 | 107.8 | A207 F228 R229 I233 | A207-T224 WeakPolarHBondContact O-CA 3.38Å; A207-T224 WeakPolarHBondContact O-CG2 3.29Å; T224-F228 HydrophobicContact CG2-CB 4.3Å; T224-R229 HydrophobicContact CG2-CG 3.97Å; T224-R229 PolarHBondContact O-NE 2.93Å; T224-R229 PolarHBondContact O-NH2 3.34Å; T224-I233 HydrophobicContact CG2-CB 4.26Å; T224-I233 HydrophobicContact CG2-CG2 4.32Å |
| 225 | M | 97.7 | Very high | 95.9 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | trans | -58.1 | 138.8 | 179.6 | -52.8 | -60.3 | -173.8 | 0 | 0 | 109.6 | L171 L175 L206 A207 F209 Y223 E227 F228 R229 | L171-M225 HydrophobicContact CD2-CE 4.16Å; L175-M225 HydrophobicContact CD1-CE 3.78Å; L175-M225 HydrophobicContact CD1-SD 3.86Å; L206-M225 HydrophobicContact CB-CE 4.29Å; L206-M225 HydrophobicContact CD2-CE 3.84Å; L206-M225 HydrophobicContact CG-CE 4.02Å; L206-M225 VanDerWaalsContact O-CG 3.24Å; L206-M225 WeakPolarHBondContact O-CG 3.2Å; A207-M225 PolarHBondContact O-N 3.14Å; F209-M225 HydrophobicContact CE1-CE 4.21Å; Y223-M225 HydrophobicContact CD1-SD 4.01Å; Y223-M225 HydrophobicContact CE1-SD 3.72Å; M225-E227 VanDerWaalsContact C-N 3.25Å; M225-E227 HydrophobicContact CB-CG 4.46Å; M225-E227 WeakPolarHBondContact CB-OE2 3.07Å; M225-E227 PolarHBondContact O-N 3.04Å; M225-E227 VanDerWaalsContact O-N 3.12Å; M225-F228 HydrophobicContact CB-CD2 3.9Å; M225-F228 HydrophobicContact CB-CE2 4.39Å; M225-F228 HydrophobicContact CG-CD2 4.44Å; M225-F228 PolarHBondContact O-N 2.88Å; M225-R229 PolarHBondContact O-N 3.38Å | ||
| 226 | P | 96.7 | Very high | 96.2 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -47 | -43.2 | -173.2 | -30.6 | 36 | 0 | 0 | 0 | 115.2 | F228 R229 | P226-F228 PolarHBondContact O-N 3.35Å; P226-R229 PolarHBondContact O-N 3.08Å |
| 227 | E | 96.9 | Very high | 96.5 | Very high | 122 Ų | 122 | 47.8 Ų | 47.8 | 57% | 0.57 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -66.2 | -18.5 | -178.6 | 60.9 | -91.8 | -141 | 0 | 0 | 114.5 | M225 | M225-E227 VanDerWaalsContact C-N 3.25Å; M225-E227 HydrophobicContact CB-CG 4.46Å; M225-E227 WeakPolarHBondContact CB-OE2 3.07Å; M225-E227 PolarHBondContact O-N 3.04Å; M225-E227 VanDerWaalsContact O-N 3.12Å |
| 228 | F | 97.1 | Very high | 96.7 | Very high | 19 Ų | 19 | 48 Ų | 48 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -111.2 | 5.2 | -179.9 | -51 | -60.3 | 0 | 0 | 0 | 113.7 | F159 A207 T224 M225 P226 R231 I233 | F159-F228 AromaticContact CE1-CD1 3.81Å; F159-F228 HydrophobicContact CE1-CD1 3.81Å; F159-F228 HydrophobicContact CE1-CE1 4.17Å; F159-F228 HydrophobicContact CE1-CG 4.16Å; F159-F228 AromaticContact CZ-CD1 3.67Å; F159-F228 HydrophobicContact CZ-CD1 3.67Å; F159-F228 HydrophobicContact CZ-CE1 4.02Å; F159-F228 HydrophobicContact CZ-CG 4.41Å; A207-F228 HydrophobicContact CB-CB 4.16Å; A207-F228 HydrophobicContact CB-CD2 3.48Å; A207-F228 VanDerWaalsContact CB-CD2 3.48Å; A207-F228 HydrophobicContact CB-CE2 3.97Å; A207-F228 HydrophobicContact CB-CG 3.86Å; T224-F228 HydrophobicContact CG2-CB 4.3Å; M225-F228 HydrophobicContact CB-CD2 3.9Å; M225-F228 HydrophobicContact CB-CE2 4.39Å; M225-F228 HydrophobicContact CG-CD2 4.44Å; M225-F228 PolarHBondContact O-N 2.88Å; P226-F228 PolarHBondContact O-N 3.35Å; F228-R231 WeakPolarHBondContact O-CB 3.36Å; F228-R231 WeakPolarHBondContact O-CD 3.43Å; F228-R231 WeakPolarHBondContact O-CG 3.16Å; F228-I233 HydrophobicContact CB-CD1 3.78Å |
| 229 | R | 95.9 | Very high | 96.7 | Very high | 136 Ų | 136 | 48.3 Ų | 48.3 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 161.3 | 176.7 | -67.6 | 179.7 | -174.3 | 168.8 | 1.5 | 112.2 | Y223 T224 M225 P226 R231 | Y223-R229 PolarHBondContact OH-NH2 2.51Å; T224-R229 HydrophobicContact CG2-CG 3.97Å; T224-R229 PolarHBondContact O-NE 2.93Å; T224-R229 PolarHBondContact O-NH2 3.34Å; M225-R229 PolarHBondContact O-N 3.38Å; P226-R229 PolarHBondContact O-N 3.08Å; R229-R231 PolarHBondContact O-N 2.84Å |
| 230 | G | 93.4 | Very high | 96.8 | Very high | 85 Ų | 85 | 49.1 Ų | 49.1 | 88% | 0.876 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 1.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 231 | R | 94 | Very high | 96.9 | Very high | 122 Ų | 122 | 47.9 Ų | 47.9 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -102.1 | 16.5 | -177.2 | -57.9 | 179.1 | -171.6 | -124.5 | 3.9 | 114.1 | P156 F228 R229 I233 | P156-R231 HydrophobicContact CG-CB 3.81Å; P156-R231 HydrophobicContact CG-CG 4.48Å; F228-R231 WeakPolarHBondContact O-CB 3.36Å; F228-R231 WeakPolarHBondContact O-CD 3.43Å; F228-R231 WeakPolarHBondContact O-CG 3.16Å; R229-R231 PolarHBondContact O-N 2.84Å; R231-I233 HydrophobicContact CB-CD1 4.22Å; R231-I233 HydrophobicContact CB-CG1 4.13Å; R231-I233 PolarHBondContact O-N 2.93Å; R231-I233 VanDerWaalsContact O-N 3.07Å |
| 232 | K | 95.2 | Very high | 97.1 | Very high | 159 Ų | 159 | 46.4 Ų | 46.4 | 69% | 0.691 | 24% | 0.237 | S | C | * | . | S | Bend | trans | 55.2 | 19.4 | -175.2 | -58.5 | -177.5 | 177.8 | 179.2 | 0 | 115.1 | F235 N236 | K232-F235 PolarHBondContact O-N 2.85Å; K232-N236 PolarHBondContact O-N 3.49Å; K232-N236 PolarHBondContact O-ND2 3.13Å |
| 233 | I | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -52.7 | 179.6 | -71.4 | 173.9 | 0 | 0 | 0 | 111 | F159 V199 A207 T224 F228 R231 F235 N236 I237 | F159-I233 HydrophobicContact CD1-CD1 4.09Å; F159-I233 HydrophobicContact CE1-CD1 3.99Å; V199-I233 HydrophobicContact CB-CG2 3.93Å; V199-I233 HydrophobicContact CG1-CD1 4.48Å; V199-I233 HydrophobicContact CG1-CG2 4.19Å; V199-I233 HydrophobicContact CG2-CG2 4.06Å; A207-I233 HydrophobicContact CB-CD1 4.02Å; T224-I233 HydrophobicContact CG2-CB 4.26Å; T224-I233 HydrophobicContact CG2-CG2 4.32Å; F228-I233 HydrophobicContact CB-CD1 3.78Å; R231-I233 HydrophobicContact CB-CD1 4.22Å; R231-I233 HydrophobicContact CB-CG1 4.13Å; R231-I233 PolarHBondContact O-N 2.93Å; R231-I233 VanDerWaalsContact O-N 3.07Å; I233-F235 PolarHBondContact O-N 3.16Å; I233-N236 PolarHBondContact O-N 3.45Å; I233-N236 VanDerWaalsContact O-N 3.14Å; I233-I237 HydrophobicContact CG2-CD1 3.64Å; I233-I237 HydrophobicContact CG2-CG1 4.34Å; I233-I237 WeakPolarHBondContact O-CG1 3.45Å; I233-I237 PolarHBondContact O-N 3.27Å |
| 234 | A | 97.5 | Very high | 97.1 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -52.5 | -51.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L222 N236 I237 E238 M266 | L222-A234 HydrophobicContact CD1-CB 4.12Å; L222-A234 HydrophobicContact CD2-CB 4.24Å; L222-A234 HydrophobicContact CG-CB 4.38Å; A234-N236 VanDerWaalsContact C-N 3.3Å; A234-N236 PolarHBondContact O-N 2.96Å; A234-I237 WeakPolarHBondContact O-CB 3.46Å; A234-I237 PolarHBondContact O-N 3.24Å; A234-E238 WeakPolarHBondContact O-CG 3.35Å; A234-E238 PolarHBondContact O-N 3.4Å; A234-M266 HydrophobicContact CB-CE 4.28Å; A234-M266 HydrophobicContact CB-SD 3.78Å |
| 235 | F | 97 | Very high | 97.1 | Very high | 52 Ų | 52 | 45 Ų | 45 | 23% | 0.228 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57 | -42.2 | 178.9 | 173.6 | -104 | 0 | 0 | 0 | 112.9 | K232 I233 E238 I239 M266 F272 | K232-F235 PolarHBondContact O-N 2.85Å; I233-F235 PolarHBondContact O-N 3.16Å; F235-E238 PolarHBondContact O-N 2.78Å; F235-I239 HydrophobicContact CD1-CD1 3.98Å; F235-I239 HydrophobicContact CE1-CD1 3.38Å; F235-I239 HydrophobicContact CE1-CG1 4.45Å; F235-I239 HydrophobicContact CE2-CD1 4.28Å; F235-I239 HydrophobicContact CZ-CD1 3.57Å; F235-I239 HydrophobicContact CZ-CG1 4.38Å; F235-I239 PolarHBondContact O-N 2.9Å; F235-M266 HydrophobicContact CB-SD 4.19Å; F235-F272 HydrophobicContact CZ-CE2 4.25Å |
| 236 | N | 97.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.3 | -34.3 | 179.8 | -78.5 | -71.2 | 0 | 0 | 0 | 112.6 | P153 T154 L155 F161 K232 I233 A234 E238 I239 V240 | P153-N236 VanDerWaalsContact C-OD1 3.32Å; P153-N236 WeakPolarHBondContact CA-OD1 3.43Å; P153-N236 HydrophobicContact CB-CB 4.28Å; P153-N236 WeakPolarHBondContact CB-OD1 3.26Å; T154-N236 PolarHBondContact N-OD1 3.32Å; T154-N236 VanDerWaalsContact O-CG 3.25Å; T154-N236 PolarHBondContact O-ND2 2.9Å; T154-N236 PolarHBondContact O-OD1 3.28Å; L155-N236 HydrophobicContact CD2-CB 4.08Å; F161-N236 HydrophobicContact CE1-CB 4.13Å; F161-N236 HydrophobicContact CZ-CB 3.91Å; K232-N236 PolarHBondContact O-N 3.49Å; K232-N236 PolarHBondContact O-ND2 3.13Å; I233-N236 PolarHBondContact O-N 3.45Å; I233-N236 VanDerWaalsContact O-N 3.14Å; A234-N236 VanDerWaalsContact C-N 3.3Å; A234-N236 PolarHBondContact O-N 2.96Å; N236-E238 VanDerWaalsContact C-N 3.34Å; N236-I239 PolarHBondContact O-N 2.69Å; N236-V240 WeakPolarHBondContact O-CG2 3.35Å; N236-V240 PolarHBondContact O-N 3.18Å; N236-V240 VanDerWaalsContact O-N 3.13Å |
| 237 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 170.3 | -72 | 168.9 | 0 | 0 | 0 | 110.1 | V197 V199 G208 L222 I233 A234 I239 V240 L241 | V197-I237 HydrophobicContact CB-CG2 4.19Å; V197-I237 HydrophobicContact CG1-CB 4.49Å; V197-I237 HydrophobicContact CG1-CG1 4.3Å; V197-I237 HydrophobicContact CG1-CG2 4.2Å; V199-I237 HydrophobicContact CB-CD1 4.34Å; V199-I237 HydrophobicContact CG2-CD1 3.9Å; V199-I237 HydrophobicContact CG2-CG1 3.61Å; G208-I237 VanDerWaalsContact C-CD1 3.4Å; L222-I237 HydrophobicContact CD1-CB 4.33Å; L222-I237 HydrophobicContact CD1-CG2 4.01Å; I233-I237 HydrophobicContact CG2-CD1 3.64Å; I233-I237 HydrophobicContact CG2-CG1 4.34Å; I233-I237 WeakPolarHBondContact O-CG1 3.45Å; I233-I237 PolarHBondContact O-N 3.27Å; A234-I237 WeakPolarHBondContact O-CB 3.46Å; A234-I237 PolarHBondContact O-N 3.24Å; I237-I239 VanDerWaalsContact C-N 3.33Å; I237-I239 PolarHBondContact O-N 3.49Å; I237-V240 PolarHBondContact O-N 2.84Å; I237-L241 VanDerWaalsContact O-CB 3.32Å; I237-L241 WeakPolarHBondContact O-CB 3.42Å; I237-L241 PolarHBondContact O-N 2.76Å |
| 238 | E | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 179.2 | -64.2 | -166.2 | 156.6 | 0 | 0 | 112.3 | L222 A234 F235 N236 L241 A242 K254 M266 W273 | L222-E238 HydrophobicContact CD1-CG 4.31Å; L222-E238 HydrophobicContact CD2-CG 3.9Å; L222-E238 WeakPolarHBondContact CD2-OE1 3.47Å; A234-E238 WeakPolarHBondContact O-CG 3.35Å; A234-E238 PolarHBondContact O-N 3.4Å; F235-E238 PolarHBondContact O-N 2.78Å; N236-E238 VanDerWaalsContact C-N 3.34Å; E238-L241 PolarHBondContact O-N 2.97Å; E238-A242 WeakPolarHBondContact O-CB 3.45Å; E238-A242 PolarHBondContact O-N 3.36Å; E238-K254 IonicContact OE1-NZ 3.5Å; E238-K254 PolarHBondContact OE1-NZ 3Å; E238-K254 IonicContact OE2-NZ 3.12Å; E238-K254 PolarHBondContact OE2-NZ 2.67Å; E238-M266 HydrophobicContact CG-CE 4.23Å; E238-M266 WeakPolarHBondContact OE1-CE 3.49Å; E238-W273 PolarHBondContact OE2-NE1 3.05Å |
| 239 | I | 97.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 178 | -68.5 | 172.5 | 0 | 0 | 0 | 110.9 | L148 A151 P153 F235 N236 I237 R243 F272 | L148-I239 HydrophobicContact CD1-CG2 4.09Å; A151-I239 HydrophobicContact CB-CG2 4.2Å; P153-I239 HydrophobicContact CB-CG2 4.26Å; P153-I239 HydrophobicContact CG-CG2 4.41Å; F235-I239 HydrophobicContact CD1-CD1 3.98Å; F235-I239 HydrophobicContact CE1-CD1 3.38Å; F235-I239 HydrophobicContact CE1-CG1 4.45Å; F235-I239 HydrophobicContact CE2-CD1 4.28Å; F235-I239 HydrophobicContact CZ-CD1 3.57Å; F235-I239 HydrophobicContact CZ-CG1 4.38Å; F235-I239 PolarHBondContact O-N 2.9Å; N236-I239 PolarHBondContact O-N 2.69Å; I237-I239 VanDerWaalsContact C-N 3.33Å; I237-I239 PolarHBondContact O-N 3.49Å; I239-R243 WeakPolarHBondContact O-CG 3.4Å; I239-R243 PolarHBondContact O-N 3.01Å; I239-F272 HydrophobicContact CD1-CE2 3.87Å; I239-F272 HydrophobicContact CG1-CD2 4.35Å; I239-F272 HydrophobicContact CG1-CE2 4.01Å |
| 240 | V | 98.4 | Very high | 96.8 | Very high | 24 Ų | 24 | 41.6 Ų | 41.6 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | -179 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | P153 F161 V197 N236 I237 R243 K244 | P153-V240 HydrophobicContact CB-CG2 3.95Å; P153-V240 HydrophobicContact CG-CG2 3.7Å; F161-V240 HydrophobicContact CD1-CG2 3.97Å; F161-V240 HydrophobicContact CD2-CG2 4.33Å; F161-V240 HydrophobicContact CE1-CG2 3.68Å; F161-V240 HydrophobicContact CE2-CG2 4.07Å; F161-V240 HydrophobicContact CG-CG2 4.29Å; F161-V240 HydrophobicContact CZ-CG2 3.75Å; V197-V240 HydrophobicContact CG1-CB 4.16Å; V197-V240 HydrophobicContact CG1-CG1 4.05Å; V197-V240 HydrophobicContact CG2-CB 4.12Å; V197-V240 HydrophobicContact CG2-CG1 3.65Å; N236-V240 WeakPolarHBondContact O-CG2 3.35Å; N236-V240 PolarHBondContact O-N 3.18Å; N236-V240 VanDerWaalsContact O-N 3.13Å; I237-V240 PolarHBondContact O-N 2.84Å; V240-R243 WeakPolarHBondContact O-CB 3.49Å; V240-R243 PolarHBondContact O-N 2.8Å; V240-K244 PolarHBondContact O-N 2.9Å; V240-K244 VanDerWaalsContact O-N 3.1Å |
| 241 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | -179.7 | -173.2 | 63.6 | 0 | 0 | 0 | 111.7 | P195 V197 V212 E219 I237 E238 R243 K244 M245 | P195-L241 HydrophobicContact CB-CD1 4.18Å; V197-L241 HydrophobicContact CB-CB 4.44Å; V197-L241 HydrophobicContact CG2-CB 3.94Å; V197-L241 HydrophobicContact CG2-CD1 3.96Å; V212-L241 HydrophobicContact CG2-CD1 4Å; V212-L241 HydrophobicContact CG2-CD2 4.37Å; V212-L241 HydrophobicContact CG2-CG 4.24Å; E219-L241 HydrophobicContact CB-CD2 4.24Å; E219-L241 HydrophobicContact CG-CD2 3.76Å; I237-L241 VanDerWaalsContact O-CB 3.32Å; I237-L241 WeakPolarHBondContact O-CB 3.42Å; I237-L241 PolarHBondContact O-N 2.76Å; E238-L241 PolarHBondContact O-N 2.97Å; L241-R243 PolarHBondContact O-N 2.83Å; L241-K244 CarbonylContact O-C 3.18Å; L241-K244 WeakPolarHBondContact O-CA 3.46Å; L241-K244 WeakPolarHBondContact O-CB 3.49Å; L241-K244 PolarHBondContact O-N 3.22Å; L241-M245 WeakPolarHBondContact O-CG 3.26Å; L241-M245 PolarHBondContact O-N 3.26Å |
| 242 | A | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.4 | -36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I140 L148 E238 M245 L246 P252 | I140-A242 HydrophobicContact CD1-CB 3.75Å; L148-A242 HydrophobicContact CD1-CB 4.39Å; L148-A242 HydrophobicContact CD2-CB 3.88Å; E238-A242 WeakPolarHBondContact O-CB 3.45Å; E238-A242 PolarHBondContact O-N 3.36Å; A242-M245 WeakPolarHBondContact O-CB 3.41Å; A242-M245 PolarHBondContact O-N 3.07Å; A242-L246 WeakPolarHBondContact O-CG 3.19Å; A242-L246 PolarHBondContact O-N 3.48Å; A242-P252 HydrophobicContact CB-CB 3.89Å; A242-P252 HydrophobicContact CB-CG 4Å; A242-P252 WeakPolarHBondContact O-CG 3.49Å |
| 243 | R | 97.9 | Very high | 97.4 | Very high | 47 Ų | 47 | 25.2 Ų | 25.2 | 18% | 0.177 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.9 | -44.2 | 172.5 | -67.9 | 167 | 176.4 | -169.9 | -6.9 | 112.2 | L148 Y149 A151 I239 V240 L241 M245 L246 L247 | L148-R243 HydrophobicContact CD2-CG 4.33Å; L148-R243 HydrophobicContact CG-CG 4.12Å; L148-R243 VanDerWaalsContact O-CZ 3.26Å; L148-R243 PolarHBondContact O-NE 3.33Å; L148-R243 PolarHBondContact O-NH2 2.91Å; Y149-R243 VanDerWaalsContact C-NH2 3.35Å; Y149-R243 HydrophobicContact CD1-CG 4.37Å; Y149-R243 HydrophobicContact CE1-CG 4.47Å; Y149-R243 PolarHBondContact O-NH2 3.42Å; A151-R243 VanDerWaalsContact C-NH2 3.34Å; A151-R243 PolarHBondContact O-NH2 3.15Å; I239-R243 WeakPolarHBondContact O-CG 3.4Å; I239-R243 PolarHBondContact O-N 3.01Å; V240-R243 WeakPolarHBondContact O-CB 3.49Å; V240-R243 PolarHBondContact O-N 2.8Å; L241-R243 PolarHBondContact O-N 2.83Å; R243-M245 PolarHBondContact O-N 3.3Å; R243-L246 PolarHBondContact O-N 3.39Å; R243-L247 WeakPolarHBondContact O-CG 3.3Å; R243-L247 PolarHBondContact O-N 2.72Å |
| 244 | K | 97.7 | Very high | 97.3 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 20% | 0.204 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -35.1 | 176 | -66.7 | -169.7 | 179.3 | -174.8 | 0 | 111.8 | E163 P195 N196 V197 V240 L241 L247 S248 | E163-K244 IonicContact OE1-NZ 2.97Å; E163-K244 PolarHBondContact OE1-NZ 2.92Å; P195-K244 HydrophobicContact CB-CB 3.84Å; P195-K244 HydrophobicContact CB-CD 4.47Å; N196-K244 PolarHBondContact O-NZ 2.58Å; V197-K244 HydrophobicContact CG2-CD 3.81Å; V240-K244 PolarHBondContact O-N 2.9Å; V240-K244 VanDerWaalsContact O-N 3.1Å; L241-K244 CarbonylContact O-C 3.18Å; L241-K244 WeakPolarHBondContact O-CA 3.46Å; L241-K244 WeakPolarHBondContact O-CB 3.49Å; L241-K244 PolarHBondContact O-N 3.22Å; K244-L247 PolarHBondContact O-N 2.94Å; K244-S248 WeakPolarHBondContact O-CB 3.38Å; K244-S248 PolarHBondContact O-N 3.41Å; K244-S248 VanDerWaalsContact O-N 3.13Å; K244-S248 PolarHBondContact O-OG 2.98Å |
| 245 | M | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 172.9 | -68.4 | 176.4 | 79.4 | 0 | 0 | 111.3 | V212 G217 L241 A242 R243 L247 S248 D249 L250 P252 | V212-M245 HydrophobicContact CG2-CE 4.25Å; V212-M245 HydrophobicContact CG2-CG 3.58Å; V212-M245 HydrophobicContact CG2-SD 3.97Å; G217-M245 WeakPolarHBondContact O-CE 3.45Å; L241-M245 WeakPolarHBondContact O-CG 3.26Å; L241-M245 PolarHBondContact O-N 3.26Å; A242-M245 WeakPolarHBondContact O-CB 3.41Å; A242-M245 PolarHBondContact O-N 3.07Å; R243-M245 PolarHBondContact O-N 3.3Å; M245-L247 VanDerWaalsContact C-N 3.34Å; M245-L247 PolarHBondContact O-N 3.37Å; M245-S248 CarbonylContact O-C 3.56Å; M245-S248 WeakPolarHBondContact O-CA 3.37Å; M245-S248 WeakPolarHBondContact O-CB 3.45Å; M245-S248 PolarHBondContact O-N 3.41Å; M245-D249 PolarHBondContact O-N 2.79Å; M245-L250 CarbonylContact C-O 3.54Å; M245-L250 VanDerWaalsContact C-O 3.31Å; M245-L250 HydrophobicContact CB-CB 4.11Å; M245-L250 WeakPolarHBondContact O-CB 3.16Å; M245-L250 PolarHBondContact O-N 3.21Å; M245-P252 HydrophobicContact CB-CG 4.43Å; M245-P252 HydrophobicContact SD-CB 4.31Å |
| 246 | L | 97.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 24.1 Ų | 24.1 | 13% | 0.126 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 177.7 | -68.8 | 172.7 | 0 | 0 | 0 | 112.6 | Y145 L148 Y149 A242 R243 S248 D249 L250 P252 | Y145-L246 HydrophobicContact CD1-CD1 3.96Å; Y145-L246 HydrophobicContact CD1-CD2 4.3Å; Y145-L246 HydrophobicContact CD2-CD1 4.26Å; Y145-L246 HydrophobicContact CD2-CD2 3.94Å; Y145-L246 HydrophobicContact CE1-CD1 4.25Å; Y145-L246 HydrophobicContact CE1-CD2 3.87Å; Y145-L246 HydrophobicContact CE2-CD2 3.47Å; Y145-L246 VanDerWaalsContact CE2-CD2 3.47Å; Y145-L246 HydrophobicContact CG-CD1 3.98Å; Y145-L246 HydrophobicContact CG-CD2 4.36Å; Y145-L246 VanDerWaalsContact CZ-CD2 3.45Å; L148-L246 HydrophobicContact CD2-CD1 3.84Å; Y149-L246 HydrophobicContact CE2-CD1 4.2Å; Y149-L246 WeakPolarHBondContact OH-CB 3.43Å; A242-L246 WeakPolarHBondContact O-CG 3.19Å; A242-L246 PolarHBondContact O-N 3.48Å; R243-L246 PolarHBondContact O-N 3.39Å; L246-S248 PolarHBondContact O-N 3.48Å; L246-D249 PolarHBondContact O-N 2.81Å; L246-D249 VanDerWaalsContact O-N 3.13Å; L246-L250 WeakPolarHBondContact CA-O 3.38Å; L246-L250 PolarHBondContact N-O 3.36Å; L246-P252 HydrophobicContact CD1-CG 4.35Å; L246-P252 HydrophobicContact CD2-CG 4.02Å; L246-P252 HydrophobicContact CG-CG 3.85Å |
| 247 | L | 95.6 | Very high | 97 | Very high | 139 Ų | 139 | 25.6 Ų | 25.6 | 73% | 0.728 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -62.7 | -20.9 | 174.4 | -68.4 | 174 | 0 | 0 | 0 | 112.9 | R243 K244 M245 | R243-L247 WeakPolarHBondContact O-CG 3.3Å; R243-L247 PolarHBondContact O-N 2.72Å; K244-L247 PolarHBondContact O-N 2.94Å; M245-L247 VanDerWaalsContact C-N 3.34Å; M245-L247 PolarHBondContact O-N 3.37Å |
| 248 | S | 94.5 | Very high | 96.8 | Very high | 55 Ų | 55 | 27.5 Ų | 27.5 | 39% | 0.385 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 15.5 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 113.3 | P195 K244 M245 L246 L250 | P195-S248 VanDerWaalsContact CG-OG 3.26Å; P195-S248 WeakPolarHBondContact CG-OG 3.48Å; K244-S248 WeakPolarHBondContact O-CB 3.38Å; K244-S248 PolarHBondContact O-N 3.41Å; K244-S248 VanDerWaalsContact O-N 3.13Å; K244-S248 PolarHBondContact O-OG 2.98Å; M245-S248 CarbonylContact O-C 3.56Å; M245-S248 WeakPolarHBondContact O-CA 3.37Å; M245-S248 WeakPolarHBondContact O-CB 3.45Å; M245-S248 PolarHBondContact O-N 3.41Å; L246-S248 PolarHBondContact O-N 3.48Å; S248-L250 PolarHBondContact O-N 3.07Å |
| 249 | D | 94.4 | Very high | 96.6 | Very high | 78 Ų | 78 | 31.1 Ų | 31.1 | 42% | 0.417 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 29.9 | -177.3 | -165 | 26.5 | 0 | 0 | 0 | 113.2 | R13 S31 M245 L246 | R13-D249 IonicContact CZ-OD2 2.83Å; R13-D249 IonicContact NH2-OD1 2.92Å; R13-D249 PolarHBondContact NH2-OD1 2.79Å; R13-D249 IonicContact NH2-OD2 2.76Å; R13-D249 PolarHBondContact NH2-OD2 3.23Å; S31-D249 VanDerWaalsContact CB-O 3.32Å; S31-D249 WeakPolarHBondContact CB-O 3.49Å; S31-D249 PolarHBondContact OG-O 3.31Å; M245-D249 PolarHBondContact O-N 2.79Å; L246-D249 PolarHBondContact O-N 2.81Å; L246-D249 VanDerWaalsContact O-N 3.13Å |
| 250 | L | 96.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | trans | -109.2 | 144.4 | 173.3 | -55.8 | 176 | 0 | 0 | 0 | 110.3 | N28 I32 M194 V212 M245 L246 S248 | N28-L250 HydrophobicContact CB-CD2 4.21Å; I32-L250 HydrophobicContact CG1-CD2 3.92Å; M194-L250 HydrophobicContact CE-CD1 3.71Å; V212-L250 HydrophobicContact CG1-CD1 3.96Å; M245-L250 CarbonylContact C-O 3.54Å; M245-L250 VanDerWaalsContact C-O 3.31Å; M245-L250 HydrophobicContact CB-CB 4.11Å; M245-L250 WeakPolarHBondContact O-CB 3.16Å; M245-L250 PolarHBondContact O-N 3.21Å; L246-L250 WeakPolarHBondContact CA-O 3.38Å; L246-L250 PolarHBondContact N-O 3.36Å; S248-L250 PolarHBondContact O-N 3.07Å | ||
| 251 | L | 97.7 | Very high | 96.4 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | trans | -86.7 | 128.5 | 172.2 | -54.8 | -179.5 | 0 | 0 | 0 | 109.1 | L20 V24 F27 N28 Y145 C253 | L20-L251 HydrophobicContact CD1-CD1 3.74Å; L20-L251 HydrophobicContact CD2-CD1 3.72Å; L20-L251 HydrophobicContact CG-CD1 4.41Å; V24-L251 HydrophobicContact CG2-CB 3.68Å; V24-L251 HydrophobicContact CG2-CD1 4.08Å; F27-L251 HydrophobicContact CD1-CD1 3.44Å; F27-L251 VanDerWaalsContact CD1-CD1 3.44Å; F27-L251 HydrophobicContact CD1-CG 3.56Å; F27-L251 HydrophobicContact CE1-CD1 3.74Å; F27-L251 HydrophobicContact CE1-CD2 4.06Å; F27-L251 HydrophobicContact CE1-CG 3.56Å; F27-L251 HydrophobicContact CG-CD1 3.98Å; F27-L251 HydrophobicContact CZ-CD1 4.49Å; N28-L251 PolarHBondContact ND2-O 2.93Å; N28-L251 PolarHBondContact OD1-N 3.19Å; Y145-L251 WeakPolarHBondContact OH-CD2 3.39Å; L251-C253 PolarHBondContact O-N 2.97Å; L251-C253 VanDerWaalsContact O-N 3.09Å | ||
| 252 | P | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -61.1 | 115.6 | 178.4 | -23.7 | 33.4 | 0 | 0 | 0 | 111.4 | W139 I140 A242 M245 L246 W273 | W139-P252 CarbonylContact C-O 3.58Å; W139-P252 VanDerWaalsContact CA-O 3.23Å; W139-P252 WeakPolarHBondContact CA-O 3.49Å; W139-P252 WeakPolarHBondContact CB-O 3.26Å; I140-P252 HydrophobicContact CB-CB 4.06Å; I140-P252 HydrophobicContact CB-CG 4.39Å; I140-P252 HydrophobicContact CD1-CB 3.88Å; I140-P252 HydrophobicContact CD1-CG 4.38Å; I140-P252 HydrophobicContact CG1-CB 3.99Å; I140-P252 PolarHBondContact N-O 2.91Å; A242-P252 HydrophobicContact CB-CB 3.89Å; A242-P252 HydrophobicContact CB-CG 4Å; A242-P252 WeakPolarHBondContact O-CG 3.49Å; M245-P252 HydrophobicContact CB-CG 4.43Å; M245-P252 HydrophobicContact SD-CB 4.31Å; L246-P252 HydrophobicContact CD1-CG 4.35Å; L246-P252 HydrophobicContact CD2-CG 4.02Å; L246-P252 HydrophobicContact CG-CG 3.85Å; P252-W273 HydrophobicContact CB-CH2 4.04Å; P252-W273 HydrophobicContact CB-CZ3 4.23Å | ||
| 253 | C | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.4 | 173.1 | 68.2 | 0 | 0 | 0 | 0 | 110.4 | V24 N28 F138 W139 N218 E219 L251 | V24-C253 HydrophobicContact CG1-CB 3.88Å; V24-C253 HydrophobicContact CG2-CB 3.87Å; N28-C253 PolarHBondContact ND2-SG 2.97Å; N28-C253 VanDerWaalsContact ND2-SG 3.42Å; F138-C253 CarbonylContact O-C 3.55Å; F138-C253 WeakPolarHBondContact O-CA 3.4Å; F138-C253 WeakPolarHBondContact O-CB 3.37Å; W139-C253 HydrophobicContact CB-CB 4.28Å; N218-C253 CarbonylContact C-O 3.59Å; N218-C253 WeakPolarHBondContact CA-O 3.41Å; N218-C253 WeakPolarHBondContact CB-O 3.41Å; N218-C253 VanDerWaalsContact CB-SG 3.5Å; E219-C253 PolarHBondContact N-O 2.77Å; L251-C253 PolarHBondContact O-N 2.97Å; L251-C253 VanDerWaalsContact O-N 3.09Å |
| 254 | K | 97.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.022 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 160.6 | 179.8 | 73.6 | -178.4 | -177.9 | 179.4 | 0 | 112.1 | F138 E219 E238 T267 W273 | F138-K254 HydrophobicContact CB-CG 4.04Å; F138-K254 PolarHBondContact N-O 3.44Å; F138-K254 PolarHBondContact O-N 3.17Å; E219-K254 HydrophobicContact CB-CB 3.82Å; E219-K254 HydrophobicContact CG-CB 4.43Å; E238-K254 IonicContact OE1-NZ 3.5Å; E238-K254 PolarHBondContact OE1-NZ 3Å; E238-K254 IonicContact OE2-NZ 3.12Å; E238-K254 PolarHBondContact OE2-NZ 2.67Å; K254-T267 WeakPolarHBondContact CE-OG1 3.4Å; K254-T267 PolarHBondContact NZ-OG1 3.5Å; K254-W273 HydrophobicContact CB-CH2 4.31Å; K254-W273 HydrophobicContact CB-CZ3 4.47Å; K254-W273 HydrophobicContact CD-CD2 4.1Å; K254-W273 HydrophobicContact CD-CE3 4.32Å; K254-W273 HydrophobicContact CD-CH2 4.02Å; K254-W273 HydrophobicContact CD-CZ2 3.76Å; K254-W273 HydrophobicContact CD-CZ3 4.28Å; K254-W273 HydrophobicContact CG-CE3 4.26Å; K254-W273 HydrophobicContact CG-CH2 4.17Å; K254-W273 HydrophobicContact CG-CZ2 4.41Å; K254-W273 HydrophobicContact CG-CZ3 4.09Å; K254-W273 VanDerWaalsContact NZ-CD1 3.32Å; K254-W273 VanDerWaalsContact NZ-NE1 3.18Å |
| 255 | Y | 94.8 | Very high | 95.8 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 14% | 0.137 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.2 | 173.6 | -57.1 | -52.5 | 0 | 0 | 0 | 111 | V25 Y106 R136 T137 N218 | V25-Y255 WeakPolarHBondContact CG1-OH 3.21Å; V25-Y255 HydrophobicContact CG2-CE1 4.41Å; V25-Y255 WeakPolarHBondContact CG2-OH 3.42Å; Y106-Y255 AromaticContact CE1-CE1 3.79Å; Y106-Y255 HydrophobicContact CE1-CE1 3.79Å; Y106-Y255 HydrophobicContact CE1-CE2 4.14Å; Y106-Y255 AromaticContact CE1-CZ 3.47Å; Y106-Y255 VanDerWaalsContact CE1-CZ 3.47Å; Y106-Y255 WeakPolarHBondContact CE1-OH 3.12Å; Y106-Y255 AromaticContact CZ-CE2 3.89Å; Y106-Y255 AromaticContact CZ-CZ 3.63Å; Y106-Y255 WeakPolarHBondContact OH-CE2 3.41Å; Y106-Y255 PolarHBondContact OH-OH 3.47Å; R136-Y255 WeakPolarHBondContact O-CA 3.36Å; T137-Y255 HydrophobicContact CG2-CD1 4.03Å; T137-Y255 HydrophobicContact CG2-CE1 3.53Å; T137-Y255 WeakPolarHBondContact OG1-CD1 3.36Å; T137-Y255 WeakPolarHBondContact OG1-CE1 3.45Å; N218-Y255 HydrophobicContact CB-CD2 4.48Å; N218-Y255 HydrophobicContact CB-CE2 3.77Å; N218-Y255 WeakPolarHBondContact ND2-CD2 3.44Å; N218-Y255 WeakPolarHBondContact ND2-CE2 3.29Å; N218-Y255 WeakPolarHBondContact OD1-CE2 3.34Å |
| 256 | V | 95.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.4 | 172.9 | -169.3 | 0 | 0 | 0 | 0 | 108.5 | R136 F138 A263 M264 T267 | R136-V256 PolarHBondContact N-O 3.04Å; R136-V256 PolarHBondContact O-N 3.22Å; F138-V256 HydrophobicContact CD2-CB 4.45Å; F138-V256 HydrophobicContact CD2-CG2 3.89Å; F138-V256 HydrophobicContact CE2-CB 4.1Å; F138-V256 HydrophobicContact CE2-CG2 3.94Å; V256-A263 HydrophobicContact CG1-CB 3.86Å; V256-M264 HydrophobicContact CB-CE 3.82Å; V256-M264 HydrophobicContact CG1-CB 4.18Å; V256-M264 HydrophobicContact CG1-CE 3.7Å; V256-M264 HydrophobicContact CG1-SD 4.39Å; V256-T267 HydrophobicContact CG2-CG2 4.44Å |
| 257 | V | 94.9 | Very high | 95.7 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 21% | 0.212 | 27% | 0.271 | C | S | . | . | trans | -64.3 | 127.2 | 172 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | T135 S259 N260 W282 | T135-V257 HydrophobicContact CG2-CG2 3.9Å; V257-S259 WeakPolarHBondContact CG1-OG 3.38Å; V257-S259 PolarHBondContact O-N 3.33Å; V257-S259 VanDerWaalsContact O-N 3.11Å; V257-N260 HydrophobicContact CB-CB 4.47Å; V257-N260 WeakPolarHBondContact O-CB 3.5Å; V257-N260 PolarHBondContact O-N 2.98Å; V257-W282 HydrophobicContact CG2-CH2 3.92Å; V257-W282 HydrophobicContact CG2-CZ3 4.14Å | ||
| 258 | P | 94.1 | Very high | 95.8 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 26% | 0.26 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.9 | -174.9 | -28.4 | 35.2 | 0 | 0 | 0 | 115.2 | S134 R136 N260 | S134-P258 WeakPolarHBondContact O-CD 3.39Å; R136-P258 HydrophobicContact CG-CG 4.29Å; P258-N260 VanDerWaalsContact C-N 3.3Å |
| 259 | S | 94.2 | Very high | 95.8 | Very high | 82 Ų | 82 | 53.9 Ų | 53.9 | 57% | 0.573 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10.1 | 177.4 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | V257 Y261 | V257-S259 WeakPolarHBondContact CG1-OG 3.38Å; V257-S259 PolarHBondContact O-N 3.33Å; V257-S259 VanDerWaalsContact O-N 3.11Å; S259-Y261 VanDerWaalsContact C-N 3.31Å; S259-Y261 WeakPolarHBondContact O-CD2 3.44Å; S259-Y261 PolarHBondContact O-N 2.78Å; S259-Y261 VanDerWaalsContact O-N 3.12Å |
| 260 | N | 94.4 | Very high | 95.9 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | trans | -84.9 | 77.4 | 172.2 | -172.1 | -19.6 | 0 | 0 | 0 | 109.4 | V257 P258 E262 A263 M264 | V257-N260 HydrophobicContact CB-CB 4.47Å; V257-N260 WeakPolarHBondContact O-CB 3.5Å; V257-N260 PolarHBondContact O-N 2.98Å; P258-N260 VanDerWaalsContact C-N 3.3Å; N260-E262 VanDerWaalsContact C-N 3.29Å; N260-E262 PolarHBondContact O-N 2.82Å; N260-A263 HydrophobicContact CB-CB 4.32Å; N260-A263 VanDerWaalsContact CG-CB 3.48Å; N260-A263 PolarHBondContact O-N 2.92Å; N260-A263 VanDerWaalsContact OD1-CB 3.32Å; N260-A263 WeakPolarHBondContact OD1-CB 3.3Å; N260-A263 PolarHBondContact OD1-N 2.96Å; N260-M264 WeakPolarHBondContact O-CB 3.06Å; N260-M264 PolarHBondContact O-N 2.86Å | ||
| 261 | Y | 95.4 | Very high | 95.8 | Very high | 160 Ų | 160 | 53 Ų | 53 | 63% | 0.627 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.6 | -38.6 | -172.4 | -64.2 | -70.7 | 0 | 0 | 0 | 112.8 | S259 M264 Q265 | S259-Y261 VanDerWaalsContact C-N 3.31Å; S259-Y261 WeakPolarHBondContact O-CD2 3.44Å; S259-Y261 PolarHBondContact O-N 2.78Å; S259-Y261 VanDerWaalsContact O-N 3.12Å; Y261-M264 PolarHBondContact O-N 2.85Å; Y261-Q265 WeakPolarHBondContact O-CB 3.34Å; Y261-Q265 VanDerWaalsContact O-CG 3.27Å; Y261-Q265 WeakPolarHBondContact O-CG 3.35Å; Y261-Q265 PolarHBondContact O-N 3.08Å |
| 262 | E | 94.1 | Very high | 95.8 | Very high | 138 Ų | 138 | 52.6 Ų | 52.6 | 65% | 0.645 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.7 | -48.1 | -179.3 | -65.1 | 84.3 | 169 | 0 | 0 | 111.6 | N260 M264 Q265 M266 | N260-E262 VanDerWaalsContact C-N 3.29Å; N260-E262 PolarHBondContact O-N 2.82Å; E262-M264 VanDerWaalsContact C-N 3.31Å; E262-M264 PolarHBondContact O-N 3.21Å; E262-Q265 PolarHBondContact O-N 3.17Å; E262-M266 WeakPolarHBondContact O-CB 3.28Å; E262-M266 PolarHBondContact O-N 2.9Å |
| 263 | A | 95.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V256 N260 T267 | V256-A263 HydrophobicContact CG1-CB 3.86Å; N260-A263 HydrophobicContact CB-CB 4.32Å; N260-A263 VanDerWaalsContact CG-CB 3.48Å; N260-A263 PolarHBondContact O-N 2.92Å; N260-A263 VanDerWaalsContact OD1-CB 3.32Å; N260-A263 WeakPolarHBondContact OD1-CB 3.3Å; N260-A263 PolarHBondContact OD1-N 2.96Å; A263-T267 VanDerWaalsContact O-CB 3.29Å; A263-T267 WeakPolarHBondContact O-CB 3.46Å; A263-T267 PolarHBondContact O-N 3.35Å; A263-T267 PolarHBondContact O-OG1 3.43Å |
| 264 | M | 96.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -50.1 | 176.4 | -171.1 | 61 | 68 | 0 | 0 | 111.1 | R136 F138 V256 N260 Y261 E262 M266 T267 M268 | R136-M264 HydrophobicContact CB-CE 4.27Å; R136-M264 HydrophobicContact CG-CE 4.41Å; F138-M264 HydrophobicContact CE2-CE 4.38Å; F138-M264 HydrophobicContact CE2-SD 3.95Å; F138-M264 HydrophobicContact CZ-SD 3.66Å; V256-M264 HydrophobicContact CB-CE 3.82Å; V256-M264 HydrophobicContact CG1-CB 4.18Å; V256-M264 HydrophobicContact CG1-CE 3.7Å; V256-M264 HydrophobicContact CG1-SD 4.39Å; N260-M264 WeakPolarHBondContact O-CB 3.06Å; N260-M264 PolarHBondContact O-N 2.86Å; Y261-M264 PolarHBondContact O-N 2.85Å; E262-M264 VanDerWaalsContact C-N 3.31Å; E262-M264 PolarHBondContact O-N 3.21Å; M264-M266 PolarHBondContact O-N 3.49Å; M264-T267 PolarHBondContact O-N 3.22Å; M264-M268 HydrophobicContact CG-CG 4.4Å; M264-M268 WeakPolarHBondContact O-CB 3.41Å; M264-M268 VanDerWaalsContact O-CG 3.24Å; M264-M268 WeakPolarHBondContact O-CG 3.25Å; M264-M268 PolarHBondContact O-N 3.39Å; M264-M268 HydrophobicContact SD-CG 4.3Å |
| 265 | Q | 96.1 | Very high | 95.7 | Very high | 128 Ų | 128 | 59 Ų | 59 | 60% | 0.598 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 177.6 | -76.9 | -178.3 | -15.5 | 0 | 0 | 111.9 | Y261 E262 T267 M268 N269 | Y261-Q265 WeakPolarHBondContact O-CB 3.34Å; Y261-Q265 VanDerWaalsContact O-CG 3.27Å; Y261-Q265 WeakPolarHBondContact O-CG 3.35Å; Y261-Q265 PolarHBondContact O-N 3.08Å; E262-Q265 PolarHBondContact O-N 3.17Å; Q265-T267 VanDerWaalsContact C-N 3.29Å; Q265-T267 PolarHBondContact O-N 2.97Å; Q265-M268 PolarHBondContact O-N 3.39Å; Q265-N269 VanDerWaalsContact O-CB 3.27Å; Q265-N269 WeakPolarHBondContact O-CB 3.37Å; Q265-N269 PolarHBondContact O-N 3.42Å; Q265-N269 PolarHBondContact O-ND2 3.02Å; Q265-N269 VanDerWaalsContact O-ND2 3.11Å |
| 266 | M | 96.3 | Very high | 95.6 | Very high | 46 Ų | 46 | 58.3 Ų | 58.3 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60 | -42.2 | 177.1 | -170.5 | -172.9 | 71.7 | 0 | 0 | 111.4 | L222 A234 F235 E238 E262 M264 S270 | L222-M266 HydrophobicContact CD2-CE 3.51Å; A234-M266 HydrophobicContact CB-CE 4.28Å; A234-M266 HydrophobicContact CB-SD 3.78Å; F235-M266 HydrophobicContact CB-SD 4.19Å; E238-M266 HydrophobicContact CG-CE 4.23Å; E238-M266 WeakPolarHBondContact OE1-CE 3.49Å; E262-M266 WeakPolarHBondContact O-CB 3.28Å; E262-M266 PolarHBondContact O-N 2.9Å; M264-M266 PolarHBondContact O-N 3.49Å; M266-S270 PolarHBondContact O-N 2.94Å |
| 267 | T | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67 | -48.6 | 179.3 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | F138 K254 V256 A263 M264 Q265 N269 S270 W273 | F138-T267 HydrophobicContact CB-CG2 4.01Å; F138-T267 HydrophobicContact CD1-CG2 3.39Å; F138-T267 HydrophobicContact CD2-CG2 3.74Å; F138-T267 HydrophobicContact CE1-CG2 3.69Å; F138-T267 HydrophobicContact CE2-CG2 4.02Å; F138-T267 HydrophobicContact CG-CG2 3.41Å; F138-T267 VanDerWaalsContact CG-CG2 3.41Å; F138-T267 HydrophobicContact CZ-CG2 3.99Å; K254-T267 WeakPolarHBondContact CE-OG1 3.4Å; K254-T267 PolarHBondContact NZ-OG1 3.5Å; V256-T267 HydrophobicContact CG2-CG2 4.44Å; A263-T267 VanDerWaalsContact O-CB 3.29Å; A263-T267 WeakPolarHBondContact O-CB 3.46Å; A263-T267 PolarHBondContact O-N 3.35Å; A263-T267 PolarHBondContact O-OG1 3.43Å; M264-T267 PolarHBondContact O-N 3.22Å; Q265-T267 VanDerWaalsContact C-N 3.29Å; Q265-T267 PolarHBondContact O-N 2.97Å; T267-N269 VanDerWaalsContact C-N 3.27Å; T267-N269 PolarHBondContact O-N 3.44Å; T267-S270 WeakPolarHBondContact O-CB 3.24Å; T267-S270 PolarHBondContact O-N 2.86Å; T267-S270 VanDerWaalsContact O-N 3.08Å; T267-W273 HydrophobicContact CG2-CB 3.84Å; T267-W273 HydrophobicContact CG2-CG 4.15Å |
| 268 | M | 95.9 | Very high | 94.8 | Very high | 101 Ų | 101 | 65 Ų | 65 | 50% | 0.498 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -32 | 179.7 | -69.4 | -63.5 | -64.6 | 0 | 0 | 112.8 | F138 M264 Q265 S270 | F138-M268 HydrophobicContact CE1-SD 3.57Å; F138-M268 VanDerWaalsContact CE1-SD 3.57Å; F138-M268 HydrophobicContact CZ-SD 3.89Å; M264-M268 HydrophobicContact CG-CG 4.4Å; M264-M268 WeakPolarHBondContact O-CB 3.41Å; M264-M268 VanDerWaalsContact O-CG 3.24Å; M264-M268 WeakPolarHBondContact O-CG 3.25Å; M264-M268 PolarHBondContact O-N 3.39Å; M264-M268 HydrophobicContact SD-CG 4.3Å; Q265-M268 PolarHBondContact O-N 3.39Å; M268-S270 VanDerWaalsContact C-N 3.32Å |
| 269 | N | 95.8 | Very high | 94.8 | Very high | 134 Ų | 134 | 66.2 Ų | 66.2 | 72% | 0.717 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -6.4 | 176.8 | -68.4 | -28.7 | 0 | 0 | 0 | 113.3 | Q265 T267 | Q265-N269 VanDerWaalsContact O-CB 3.27Å; Q265-N269 WeakPolarHBondContact O-CB 3.37Å; Q265-N269 PolarHBondContact O-N 3.42Å; Q265-N269 PolarHBondContact O-ND2 3.02Å; Q265-N269 VanDerWaalsContact O-ND2 3.11Å; T267-N269 VanDerWaalsContact C-N 3.27Å; T267-N269 PolarHBondContact O-N 3.44Å |
| 270 | S | 95.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | trans | -67.2 | 136.7 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | M266 T267 M268 F272 W273 | M266-S270 PolarHBondContact O-N 2.94Å; T267-S270 WeakPolarHBondContact O-CB 3.24Å; T267-S270 PolarHBondContact O-N 2.86Å; T267-S270 VanDerWaalsContact O-N 3.08Å; M268-S270 VanDerWaalsContact C-N 3.32Å; S270-F272 PolarHBondContact O-N 3.17Å; S270-F272 PolarHBondContact OG-N 3.48Å; S270-W273 PolarHBondContact OG-N 3.39Å | ||
| 271 | P | 95.5 | Very high | 94.8 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -73.9 | -4.3 | 174.3 | 32.9 | -36 | 0 | 0 | 0 | 112.9 | K147 | K147-P271 PolarHBondContact NZ-O 2.84Š|
| 272 | F | 97.1 | Very high | 94.6 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -111.2 | -49.7 | -176 | -53.2 | -72.4 | 0 | 0 | 0 | 112.9 | I140 K147 L148 A151 F235 I239 S270 K274 | I140-F272 HydrophobicContact CD1-CB 3.99Å; I140-F272 HydrophobicContact CG1-CB 4.18Å; K147-F272 HydrophobicContact CB-CE1 4.39Å; K147-F272 HydrophobicContact CD-CD1 4.18Å; K147-F272 HydrophobicContact CD-CE1 3.88Å; K147-F272 HydrophobicContact CG-CE1 3.83Å; L148-F272 HydrophobicContact CB-CD1 4.24Å; L148-F272 HydrophobicContact CB-CE1 4.27Å; L148-F272 HydrophobicContact CD1-CD1 4.2Å; L148-F272 HydrophobicContact CD1-CE1 4.32Å; L148-F272 HydrophobicContact CD1-CG 4.31Å; A151-F272 HydrophobicContact CB-CZ 3.87Å; F235-F272 HydrophobicContact CZ-CE2 4.25Å; I239-F272 HydrophobicContact CD1-CE2 3.87Å; I239-F272 HydrophobicContact CG1-CD2 4.35Å; I239-F272 HydrophobicContact CG1-CE2 4.01Å; S270-F272 PolarHBondContact O-N 3.17Å; S270-F272 PolarHBondContact OG-N 3.48Å; F272-K274 PolarHBondContact O-N 3.17Å |
| 273 | W | 97.7 | Very high | 94.7 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 5% | 0.045 | 25% | 0.245 | C | C | . | . | trans | -68.8 | 128.5 | -174.5 | -65.3 | 115.7 | 0 | 0 | 0 | 111.2 | F138 I140 E219 E238 P252 K254 T267 S270 | F138-W273 HydrophobicContact CB-CB 4.43Å; F138-W273 HydrophobicContact CB-CE3 4.12Å; I140-W273 HydrophobicContact CD1-CD2 4.35Å; I140-W273 HydrophobicContact CD1-CE3 4.36Å; I140-W273 HydrophobicContact CD1-CH2 4.24Å; I140-W273 HydrophobicContact CD1-CZ2 4.23Å; I140-W273 HydrophobicContact CD1-CZ3 4.3Å; I140-W273 HydrophobicContact CG1-CD2 3.96Å; I140-W273 HydrophobicContact CG1-CE3 3.64Å; I140-W273 HydrophobicContact CG1-CH2 4.22Å; I140-W273 HydrophobicContact CG1-CZ3 3.77Å; E219-W273 WeakPolarHBondContact OE2-CZ2 3.36Å; E238-W273 PolarHBondContact OE2-NE1 3.05Å; P252-W273 HydrophobicContact CB-CH2 4.04Å; P252-W273 HydrophobicContact CB-CZ3 4.23Å; K254-W273 HydrophobicContact CB-CH2 4.31Å; K254-W273 HydrophobicContact CB-CZ3 4.47Å; K254-W273 HydrophobicContact CD-CD2 4.1Å; K254-W273 HydrophobicContact CD-CE3 4.32Å; K254-W273 HydrophobicContact CD-CH2 4.02Å; K254-W273 HydrophobicContact CD-CZ2 3.76Å; K254-W273 HydrophobicContact CD-CZ3 4.28Å; K254-W273 HydrophobicContact CG-CE3 4.26Å; K254-W273 HydrophobicContact CG-CH2 4.17Å; K254-W273 HydrophobicContact CG-CZ2 4.41Å; K254-W273 HydrophobicContact CG-CZ3 4.09Å; K254-W273 VanDerWaalsContact NZ-CD1 3.32Å; K254-W273 VanDerWaalsContact NZ-NE1 3.18Å; T267-W273 HydrophobicContact CG2-CB 3.84Å; T267-W273 HydrophobicContact CG2-CG 4.15Å; S270-W273 PolarHBondContact OG-N 3.39Å | ||
| 274 | K | 97.3 | Very high | 94.6 | Very high | 91 Ų | 91 | 49.5 Ų | 49.5 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.5 | 171.9 | -53.5 | -57.1 | 173.3 | -168 | 0 | 109.2 | F138 W139 P141 F272 | F138-K274 CarbonylContact C-O 3.52Å; F138-K274 VanDerWaalsContact CA-O 3.22Å; F138-K274 WeakPolarHBondContact CA-O 3.29Å; W139-K274 PolarHBondContact N-O 2.79Å; W139-K274 PolarHBondContact O-N 2.93Å; P141-K274 HydrophobicContact CG-CB 4.26Å; P141-K274 HydrophobicContact CG-CG 3.63Å; F272-K274 PolarHBondContact O-N 3.17Å |
| 275 | E | 96.5 | Very high | 94.5 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 143.1 | 175.1 | -157.5 | -176.6 | 155.2 | 0 | 0 | 110.9 | R136 F138 N277 | R136-E275 IonicContact CZ-OE1 2.83Å; R136-E275 IonicContact CZ-OE2 3.9Å; R136-E275 IonicContact NE-OE1 2.98Å; R136-E275 PolarHBondContact NE-OE1 3.49Å; R136-E275 IonicContact NE-OE2 3.21Å; R136-E275 IonicContact NH1-OE2 2.64Å; R136-E275 IonicContact NH2-OE1 2.74Å; R136-E275 PolarHBondContact NH2-OE1 3.5Å; R136-E275 IonicContact NH2-OE2 3.74Å; R136-E275 PolarHBondContact NH2-OE2 2.81Å; F138-E275 HydrophobicContact CD1-CB 3.91Å; F138-E275 HydrophobicContact CD1-CG 4.11Å; F138-E275 HydrophobicContact CE1-CB 3.65Å; F138-E275 HydrophobicContact CE1-CG 3.67Å; F138-E275 HydrophobicContact CZ-CB 4.41Å; F138-E275 HydrophobicContact CZ-CG 3.94Å; E275-N277 VanDerWaalsContact C-N 3.28Å |
| 276 | I | 93 | Very high | 94.4 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -10.8 | 173.5 | -58.1 | -173.5 | 0 | 0 | 0 | 111.4 | P21 V24 T137 W139 E278 | P21-I276 HydrophobicContact CB-CD1 3.95Å; P21-I276 HydrophobicContact CB-CG1 3.96Å; P21-I276 HydrophobicContact CB-CG2 4.37Å; P21-I276 HydrophobicContact CG-CG1 4.33Å; P21-I276 HydrophobicContact CG-CG2 4.18Å; V24-I276 HydrophobicContact CG1-CD1 3.64Å; T137-I276 HydrophobicContact CG2-CD1 3.52Å; T137-I276 HydrophobicContact CG2-CG1 4.22Å; T137-I276 PolarHBondContact O-N 2.87Å; W139-I276 HydrophobicContact CB-CD1 4.21Å; W139-I276 HydrophobicContact CB-CG1 4.46Å; W139-I276 HydrophobicContact CG-CD1 4.28Å; W139-I276 HydrophobicContact CG-CG1 4.2Å; I276-E278 VanDerWaalsContact C-N 3.26Å; I276-E278 HydrophobicContact CG2-CB 4.38Å; I276-E278 HydrophobicContact CG2-CG 4.17Å |
| 277 | N | 88.7 | Confident | 94.1 | Very high | 134 Ų | 134 | 49 Ų | 49 | 72% | 0.717 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 62 | 29.1 | -172.6 | -56.3 | -48.7 | 0 | 0 | 0 | 113.9 | E275 | E275-N277 VanDerWaalsContact C-N 3.28Å |
| 278 | E | 84.8 | Confident | 93.7 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 23% | 0.229 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.7 | 174.6 | -68.7 | -179.2 | 149.8 | 0 | 0 | 110.4 | T137 I276 F280 | T137-E278 PolarHBondContact N-O 2.97Å; I276-E278 VanDerWaalsContact C-N 3.26Å; I276-E278 HydrophobicContact CG2-CB 4.38Å; I276-E278 HydrophobicContact CG2-CG 4.17Å; E278-F280 HydrophobicContact CB-CE2 3.76Å; E278-F280 HydrophobicContact CB-CZ 3.81Å; E278-F280 HydrophobicContact CG-CZ 4.42Å; E278-F280 WeakPolarHBondContact OE2-CZ 3.41Å |
| 279 | E | 92.9 | Very high | 92.9 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.3 | 173.9 | -172.1 | 168.4 | 169.5 | 0 | 0 | 109.5 | L109 S134 T135 R136 | L109-E279 HydrophobicContact CB-CB 4.33Å; L109-E279 HydrophobicContact CB-CG 4.27Å; L109-E279 WeakPolarHBondContact CB-O 3.42Å; L109-E279 HydrophobicContact CD2-CB 4.36Å; L109-E279 VanDerWaalsContact CD2-CD 3.42Å; L109-E279 HydrophobicContact CD2-CG 3.82Å; L109-E279 WeakPolarHBondContact CD2-OE1 3.42Å; L109-E279 PolarHBondContact N-O 2.78Å; S134-E279 WeakPolarHBondContact CB-OE1 3.44Å; S134-E279 PolarHBondContact OG-OE1 2.6Å; T135-E279 WeakPolarHBondContact O-CA 3.37Å; R136-E279 HydrophobicContact CG-CB 4.44Å; R136-E279 HydrophobicContact CG-CG 4.32Å |
| 280 | F | 94.3 | Very high | 91.8 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142.1 | -175.9 | -63.9 | -70.3 | 0 | 0 | 0 | 111 | Y106 W107 S134 T135 T137 E278 | Y106-F280 HydrophobicContact CD1-CD1 4.42Å; Y106-F280 HydrophobicContact CD1-CD2 4.04Å; Y106-F280 HydrophobicContact CD1-CE2 4.3Å; Y106-F280 HydrophobicContact CD1-CG 4.09Å; Y106-F280 WeakPolarHBondContact O-CD1 3.44Å; W107-F280 CarbonylContact O-C 3.55Å; W107-F280 WeakPolarHBondContact O-CA 3.49Å; S134-F280 CarbonylContact C-O 3.56Å; S134-F280 WeakPolarHBondContact CA-O 3.23Å; S134-F280 WeakPolarHBondContact CB-O 3.45Å; T135-F280 PolarHBondContact N-O 3.39Å; T135-F280 PolarHBondContact O-N 2.58Å; T137-F280 WeakPolarHBondContact OG1-CD2 3.48Å; T137-F280 WeakPolarHBondContact OG1-CE2 3.41Å; E278-F280 HydrophobicContact CB-CE2 3.76Å; E278-F280 HydrophobicContact CB-CZ 3.81Å; E278-F280 HydrophobicContact CG-CZ 4.42Å; E278-F280 WeakPolarHBondContact OE2-CZ 3.41Å |
| 281 | A | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 146.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | W107 I112 Y131 G133 L283 | W107-A281 PolarHBondContact O-N 3.07Å; I112-A281 HydrophobicContact CD1-CB 3.59Å; I112-A281 HydrophobicContact CG1-CB 4.07Å; Y131-A281 HydrophobicContact CD2-CB 4.22Å; Y131-A281 HydrophobicContact CE2-CB 4.02Å; G133-A281 WeakPolarHBondContact O-CA 3.32Å; A281-L283 HydrophobicContact CB-CD1 4.18Å; A281-L283 HydrophobicContact CB-CD2 3.84Å; A281-L283 HydrophobicContact CB-CG 3.83Å |
| 282 | W | 92.2 | Very high | 89.5 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 29% | 0.292 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.1 | 164.5 | -64.1 | -17.1 | 0 | 0 | 0 | 108.8 | F132 G133 T135 V257 | F132-W282 HydrophobicContact CB-CB 4.34Å; F132-W282 PolarHBondContact N-O 3.2Å; G133-W282 PolarHBondContact O-N 3.37Å; T135-W282 HydrophobicContact CG2-CD2 4.42Å; T135-W282 HydrophobicContact CG2-CH2 3.68Å; T135-W282 HydrophobicContact CG2-CZ2 3.22Å; T135-W282 HydrophobicContact CG2-CZ3 4.43Å; V257-W282 HydrophobicContact CG2-CH2 3.92Å; V257-W282 HydrophobicContact CG2-CZ3 4.14Å |
| 283 | L | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154 | -170 | -56.1 | 175.1 | 0 | 0 | 0 | 111 | L104 W107 I112 L115 V129 I130 Y131 A281 | L104-L283 HydrophobicContact CB-CB 4.06Å; L104-L283 HydrophobicContact CD2-CD1 3.89Å; L104-L283 HydrophobicContact CG-CB 4.49Å; L104-L283 HydrophobicContact CG-CD1 4.38Å; L104-L283 PolarHBondContact N-O 3.11Å; L104-L283 PolarHBondContact O-N 3.3Å; W107-L283 HydrophobicContact CB-CD1 3.73Å; W107-L283 HydrophobicContact CG-CD1 4.06Å; I112-L283 HydrophobicContact CD1-CD2 4.14Å; I112-L283 HydrophobicContact CG1-CD2 4.49Å; L115-L283 HydrophobicContact CD2-CD1 3.61Å; V129-L283 HydrophobicContact CG1-CB 4.36Å; V129-L283 HydrophobicContact CG1-CD1 4.16Å; V129-L283 HydrophobicContact CG1-CD2 4.2Å; V129-L283 HydrophobicContact CG1-CG 4.48Å; I130-L283 CarbonylContact O-C 3.59Å; I130-L283 WeakPolarHBondContact O-CA 3.3Å; Y131-L283 HydrophobicContact CD2-CD2 3.72Å; Y131-L283 HydrophobicContact CG-CD2 4.39Å; A281-L283 HydrophobicContact CB-CD1 4.18Å; A281-L283 HydrophobicContact CB-CD2 3.84Å; A281-L283 HydrophobicContact CB-CG 3.83Å |
| 284 | Q | 93.9 | Very high | 88.6 | Confident | 25 Ų | 25 | 68.2 Ų | 68.2 | 12% | 0.117 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.8 | 160.1 | 176.6 | -178.8 | 40.1 | 0 | 0 | 108.4 | Y66 F102 I103 I130 F132 R286 | Y66-Q284 PolarHBondContact OH-NE2 2.82Å; Y66-Q284 VanDerWaalsContact OH-NE2 3.08Å; F102-Q284 WeakPolarHBondContact O-CA 3.18Å; I103-Q284 HydrophobicContact CD1-CB 4.04Å; I103-Q284 HydrophobicContact CD1-CG 4.17Å; I130-Q284 HydrophobicContact CB-CB 4.28Å; I130-Q284 PolarHBondContact N-O 2.74Å; I130-Q284 PolarHBondContact O-N 3.3Å; F132-Q284 HydrophobicContact CE2-CB 3.53Å; F132-Q284 HydrophobicContact CZ-CB 3.54Å; Q284-R286 HydrophobicContact CG-CB 4.28Å |
| 285 | V | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.3 | 165.9 | -176.2 | 0 | 0 | 0 | 0 | 106.7 | G101 F102 L104 V119 L127 E128 V129 | G101-V285 CarbonylContact C-O 3.49Å; G101-V285 WeakPolarHBondContact CA-O 3.21Å; F102-V285 HydrophobicContact CD1-CB 4.26Å; F102-V285 HydrophobicContact CD2-CB 4.3Å; F102-V285 HydrophobicContact CD2-CG2 4.44Å; F102-V285 HydrophobicContact CE1-CB 3.7Å; F102-V285 HydrophobicContact CE1-CG1 3.88Å; F102-V285 HydrophobicContact CE1-CG2 4.34Å; F102-V285 HydrophobicContact CE2-CB 3.74Å; F102-V285 HydrophobicContact CE2-CG2 3.59Å; F102-V285 HydrophobicContact CZ-CB 3.39Å; F102-V285 HydrophobicContact CZ-CG1 3.8Å; F102-V285 HydrophobicContact CZ-CG2 3.51Å; F102-V285 PolarHBondContact N-O 3.23Å; F102-V285 PolarHBondContact O-N 3.07Å; L104-V285 HydrophobicContact CD2-CG2 4.39Å; V119-V285 HydrophobicContact CG1-CG1 4.27Å; L127-V285 HydrophobicContact CB-CG1 4.38Å; L127-V285 HydrophobicContact CD1-CG1 4.27Å; E128-V285 WeakPolarHBondContact O-CA 3.41Å; V129-V285 HydrophobicContact CG2-CG2 4.3Å |
| 286 | R | 92.7 | Very high | 87.6 | Confident | 102 Ų | 102 | 68.6 Ų | 68.6 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161.4 | -179.2 | 69.7 | 172.2 | -166.9 | -153.6 | -9.2 | 112.3 | N100 L127 E128 I130 Q284 | N100-R286 CarbonylContact O-C 3.53Å; N100-R286 VanDerWaalsContact O-CA 3.24Å; N100-R286 WeakPolarHBondContact O-CA 3.42Å; N100-R286 VanDerWaalsContact O-CB 3.25Å; N100-R286 WeakPolarHBondContact O-CB 3.38Å; L127-R286 CarbonylContact C-O 3.49Å; L127-R286 VanDerWaalsContact CA-O 3.29Å; L127-R286 WeakPolarHBondContact CA-O 3.15Å; E128-R286 HydrophobicContact CG-CG 3.84Å; E128-R286 PolarHBondContact N-O 3.41Å; E128-R286 PolarHBondContact O-N 3.05Å; E128-R286 IonicContact OE1-CZ 3.89Å; E128-R286 VanDerWaalsContact OE1-CZ 3.24Å; E128-R286 IonicContact OE1-NE 2.93Å; E128-R286 PolarHBondContact OE1-NE 2.84Å; E128-R286 IonicContact OE1-NH2 2.6Å; E128-R286 PolarHBondContact OE1-NH2 3.26Å; I130-R286 HydrophobicContact CD1-CG 3.88Å; Q284-R286 HydrophobicContact CG-CB 4.28Å |
| 287 | K | 90.8 | Very high | 87.2 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 35% | 0.352 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 135.9 | 166.8 | -66.4 | -178.3 | -170.2 | 160.4 | 0 | 108.9 | C96 N100 N126 L127 | C96-K287 WeakPolarHBondContact O-CE 3.32Å; C96-K287 PolarHBondContact O-NZ 3.15Å; N100-K287 HydrophobicContact CB-CD 4.49Å; N100-K287 PolarHBondContact O-N 3.37Å; N100-K287 WeakPolarHBondContact OD1-CD 3.36Å; N100-K287 PolarHBondContact OD1-NZ 3.23Å; N126-K287 WeakPolarHBondContact O-CA 3.38Å; L127-K287 HydrophobicContact CD2-CB 4.32Å; L127-K287 HydrophobicContact CD2-CG 3.67Å |
| 288 | K | 88.3 | Confident | 87.1 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 145.3 | 169.7 | -70.7 | -173.2 | -178.1 | 170.1 | 0 | 109.5 | G125 N126 E128 | G125-K288 WeakPolarHBondContact O-CD 2.97Å; G125-K288 WeakPolarHBondContact O-CE 3.43Å; G125-K288 PolarHBondContact O-NZ 2.83Å; N126-K288 PolarHBondContact O-N 2.89Å; E128-K288 HydrophobicContact CB-CG 3.88Å; E128-K288 HydrophobicContact CG-CG 3.92Å |
| 289 | A | 79.4 | Confident | 87.3 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 69% | 0.694 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 139.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | D291 | A289-D291 PolarHBondContact O-N 3.3Š|
| 290 | A | 71.9 | Confident | 86.9 | Confident | 102 Ų | 102 | 69.2 Ų | 69.2 | 84% | 0.843 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 125.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 291 | D | 54.1 | Low | 86.2 | Confident | 238 Ų | 238 | 73.5 Ų | 73.5 | 100% | 1.273 | 40% | 0.399 | S | S | * | . | trans | -62.4 | 0 | 169.8 | -69.2 | -32.5 | 0 | 0 | 0 | 111.4 | A289 | A289-D291 PolarHBondContact O-N 3.3Š|
Retrieved 291 of 291 residues in 444.4 ms
(Link to these results)