| 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 | 90.7 | Very high | 97.2 | Very high | 101 Ų | 101 | 64.5 Ų | 64.5 | 50% | 0.498 | 32% | 0.324 | S | S | . | . | 0 | 112.8 | 0 | -59.8 | -55.9 | 142.4 | 0 | 0 | 108.5 | E46 D47 V53 L86 | M1-E46 CarbonylContact C-O 3.48Å; M1-E46 WeakPolarHBondContact CA-O 3.25Å; M1-D47 HydrophobicContact CE-CB 3.78Å; M1-D47 VanDerWaalsContact SD-CA 3.59Å; M1-D47 HydrophobicContact SD-CB 3.82Å; M1-V53 HydrophobicContact SD-CG2 3.85Å; M1-L86 HydrophobicContact CB-CD2 3.95Å; M1-L86 HydrophobicContact CG-CD1 4.47Å; M1-L86 HydrophobicContact CG-CD2 4.35Å | |||
| 2 | N | 96.9 | Very high | 97.3 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 136 | 176.8 | -176.2 | 33.8 | 0 | 0 | 0 | 109.3 | A45 E46 | N2-A45 CarbonylContact O-C 3.56Å; N2-A45 VanDerWaalsContact O-CA 3.29Å; N2-A45 WeakPolarHBondContact O-CA 3.26Å; N2-E46 HydrophobicContact CB-CG 3.83Å; N2-E46 PolarHBondContact N-O 3.17Å; N2-E46 PolarHBondContact ND2-OE1 3.05Å; N2-E46 PolarHBondContact O-N 3.23Å |
| 3 | I | 98.3 | Very high | 97.4 | Very high | 44 Ų | 44 | 71.3 Ų | 71.3 | 23% | 0.226 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.9 | 173.9 | -64.8 | 177.7 | 0 | 0 | 0 | 107.6 | Y43 I44 A45 L86 K89 L90 Q93 | I3-Y43 HydrophobicContact CG2-CD1 4.4Å; I3-I44 WeakPolarHBondContact CA-O 3.34Å; I3-A45 HydrophobicContact CG1-CB 4.15Å; I3-L86 HydrophobicContact CD1-CD2 4.26Å; I3-K89 HydrophobicContact CD1-CB 3.35Å; I3-K89 HydrophobicContact CD1-CD 3.78Å; I3-K89 HydrophobicContact CD1-CG 4.21Å; I3-L90 HydrophobicContact CG2-CD2 4Å; I3-Q93 HydrophobicContact CG2-CG 4.27Å |
| 4 | R | 98.4 | Very high | 97.4 | Very high | 45 Ų | 45 | 66.2 Ų | 66.2 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 161.7 | -178 | 61.8 | 173.7 | -179.4 | 79.3 | -1.9 | 111.3 | D10 Y43 I44 E46 | R4-D10 IonicContact CZ-OD1 2.82Å; R4-D10 IonicContact CZ-OD2 3.31Å; R4-D10 IonicContact NH1-OD1 3.96Å; R4-D10 IonicContact NH1-OD2 3.7Å; R4-D10 PolarHBondContact NH1-OD2 3.22Å; R4-D10 IonicContact NH2-OD1 4Å; R4-D10 PolarHBondContact NH2-OD1 3.05Å; R4-D10 IonicContact NH2-OD2 3.02Å; R4-D10 PolarHBondContact NH2-OD2 3.34Å; R4-Y43 WeakPolarHBondContact O-CA 3.19Å; R4-Y43 WeakPolarHBondContact O-CD1 3.44Å; R4-I44 HydrophobicContact CG-CD1 4.41Å; R4-I44 HydrophobicContact CG-CG1 3.99Å; R4-I44 PolarHBondContact N-O 3.19Å; R4-I44 VanDerWaalsContact N-O 3.13Å; R4-I44 VanDerWaalsContact NH2-CD1 3.27Å; R4-I44 PolarHBondContact O-N 3.4Å; R4-E46 IonicContact CZ-OE1 3.23Å; R4-E46 IonicContact CZ-OE2 2.97Å; R4-E46 VanDerWaalsContact CZ-OE2 3.31Å; R4-E46 VanDerWaalsContact NE-CD 3.3Å; R4-E46 IonicContact NE-OE1 3.65Å; R4-E46 PolarHBondContact NE-OE1 3.17Å; R4-E46 IonicContact NE-OE2 3.87Å; R4-E46 PolarHBondContact NE-OE2 3.35Å; R4-E46 IonicContact NH2-OE2 2.81Å; R4-E46 PolarHBondContact NH2-OE2 3Å |
| 5 | N | 98.6 | Very high | 97.5 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 31% | 0.31 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 140.7 | 172.3 | 176.8 | -112.2 | 0 | 0 | 0 | 110.1 | P39 Q40 S42 Y43 | N5-P39 PolarHBondContact ND2-O 3.1Å; N5-P39 PolarHBondContact OD1-O 3.47Å; N5-Q40 PolarHBondContact ND2-O 2.81Å; N5-S42 PolarHBondContact ND2-O 2.93Å; N5-Y43 HydrophobicContact CB-CD1 4.29Å; N5-Y43 HydrophobicContact CB-CE1 3.9Å |
| 6 | A | 98.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | trans | -75.9 | 137.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | M14 S42 I44 | A6-M14 HydrophobicContact CB-SD 3.87Å; A6-S42 WeakPolarHBondContact CB-O 3.44Å; A6-S42 PolarHBondContact N-O 2.85Å; A6-I44 HydrophobicContact CB-CG2 3.92Å | ||
| 7 | R | 98 | Very high | 97.6 | Very high | 140 Ų | 140 | 63.5 Ų | 63.5 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | trans | -105.2 | 162.3 | 173.9 | -65.1 | -179.5 | -70.4 | -168.3 | -1.2 | 110.2 | D9 D10 | R7-D9 PolarHBondContact O-N 3.23Å; R7-D9 VanDerWaalsContact O-N 3.14Å; R7-D10 WeakPolarHBondContact CB-OD2 3.47Å; R7-D10 PolarHBondContact N-OD2 2.87Å; R7-D10 WeakPolarHBondContact O-CB 3.49Å; R7-D10 PolarHBondContact O-N 3.1Å | ||
| 8 | P | 96.6 | Very high | 97.6 | Very high | 81 Ų | 81 | 59.9 Ų | 59.9 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -51 | -37.8 | 175 | -30 | 37.2 | 0 | 0 | 0 | 113.7 | D10 L11 | P8-D10 PolarHBondContact O-N 3.13Å; P8-L11 WeakPolarHBondContact O-CB 3.23Å; P8-L11 VanDerWaalsContact O-CG 3.31Å; P8-L11 WeakPolarHBondContact O-CG 3.47Å; P8-L11 PolarHBondContact O-N 3.01Å |
| 9 | D | 97.3 | Very high | 97.6 | Very high | 129 Ų | 129 | 62.2 Ų | 62.2 | 69% | 0.69 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -65.2 | -20.9 | 178.3 | -58.1 | -14.3 | 0 | 0 | 0 | 113.4 | R7 | R7-D9 PolarHBondContact O-N 3.23Å; R7-D9 VanDerWaalsContact O-N 3.14Å |
| 10 | D | 98.3 | Very high | 97.6 | Very high | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -83.4 | -17.4 | 179.1 | -59.6 | -55.4 | 0 | 0 | 0 | 112.5 | R4 R7 P8 M12 N13 M14 I44 I52 | R4-D10 IonicContact CZ-OD1 2.82Å; R4-D10 IonicContact CZ-OD2 3.31Å; R4-D10 IonicContact NH1-OD1 3.96Å; R4-D10 IonicContact NH1-OD2 3.7Å; R4-D10 PolarHBondContact NH1-OD2 3.22Å; R4-D10 IonicContact NH2-OD1 4Å; R4-D10 PolarHBondContact NH2-OD1 3.05Å; R4-D10 IonicContact NH2-OD2 3.02Å; R4-D10 PolarHBondContact NH2-OD2 3.34Å; R7-D10 WeakPolarHBondContact CB-OD2 3.47Å; R7-D10 PolarHBondContact N-OD2 2.87Å; R7-D10 WeakPolarHBondContact O-CB 3.49Å; R7-D10 PolarHBondContact O-N 3.1Å; P8-D10 PolarHBondContact O-N 3.13Å; D10-M12 PolarHBondContact O-N 3.37Å; D10-N13 CarbonylContact O-C 3.5Å; D10-N13 WeakPolarHBondContact O-CA 3.32Å; D10-N13 WeakPolarHBondContact O-CB 3.24Å; D10-N13 PolarHBondContact O-N 2.88Å; D10-M14 WeakPolarHBondContact O-CG 3.21Å; D10-M14 PolarHBondContact O-N 3.32Å; D10-I44 HydrophobicContact CB-CD1 4.21Å; D10-I44 HydrophobicContact CB-CG2 4.5Å; D10-I52 HydrophobicContact CB-CD1 4.09Å |
| 11 | L | 97.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -37.5 | -168.8 | -63.1 | 178.2 | 0 | 0 | 0 | 113.2 | P8 N13 M14 Q15 M28 L32 | P8-L11 WeakPolarHBondContact O-CB 3.23Å; P8-L11 VanDerWaalsContact O-CG 3.31Å; P8-L11 WeakPolarHBondContact O-CG 3.47Å; P8-L11 PolarHBondContact O-N 3.01Å; L11-N13 VanDerWaalsContact C-N 3.33Å; L11-N13 PolarHBondContact O-N 3.22Å; L11-M14 HydrophobicContact CD2-SD 3.89Å; L11-M14 PolarHBondContact O-N 3.5Å; L11-Q15 PolarHBondContact O-N 2.86Å; L11-M28 HydrophobicContact CB-SD 4.23Å; L11-L32 HydrophobicContact CD1-CD2 3.88Å; L11-L32 HydrophobicContact CD1-CG 4.46Å |
| 12 | M | 97.9 | Very high | 97.7 | Very high | 132 Ų | 132 | 60.1 Ų | 60.1 | 65% | 0.65 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 172.5 | -83.5 | -174.2 | -80.3 | 0 | 0 | 112 | D10 Q15 H16 M28 | D10-M12 PolarHBondContact O-N 3.37Å; M12-Q15 PolarHBondContact O-N 3.29Å; M12-H16 PolarHBondContact O-N 3.33Å; M12-M28 HydrophobicContact CB-CE 4.33Å; M12-M28 HydrophobicContact CG-CE 3.7Å; M12-M28 HydrophobicContact CG-SD 4.41Å |
| 13 | N | 98.3 | Very high | 97.5 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.8 | -31.3 | 178.6 | -68.5 | -40.9 | 0 | 0 | 0 | 112.1 | D10 L11 H16 C17 I52 | D10-N13 CarbonylContact O-C 3.5Å; D10-N13 WeakPolarHBondContact O-CA 3.32Å; D10-N13 WeakPolarHBondContact O-CB 3.24Å; D10-N13 PolarHBondContact O-N 2.88Å; L11-N13 VanDerWaalsContact C-N 3.33Å; L11-N13 PolarHBondContact O-N 3.22Å; N13-H16 PolarHBondContact O-N 3.26Å; N13-C17 WeakPolarHBondContact O-CB 3.29Å; N13-C17 PolarHBondContact O-N 3.03Å; N13-I52 HydrophobicContact CB-CB 4.47Å; N13-I52 HydrophobicContact CB-CD1 3.47Å; N13-I52 VanDerWaalsContact CB-CD1 3.47Å; N13-I52 HydrophobicContact CB-CG1 3.94Å |
| 14 | M | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 170.8 | -69.7 | 171.5 | 62.9 | 0 | 0 | 111 | A6 D10 L11 H16 C17 N18 Y31 I44 I52 Y55 L57 | A6-M14 HydrophobicContact CB-SD 3.87Å; D10-M14 WeakPolarHBondContact O-CG 3.21Å; D10-M14 PolarHBondContact O-N 3.32Å; L11-M14 HydrophobicContact CD2-SD 3.89Å; L11-M14 PolarHBondContact O-N 3.5Å; M14-H16 VanDerWaalsContact C-N 3.33Å; M14-H16 PolarHBondContact O-N 2.81Å; M14-C17 WeakPolarHBondContact O-CB 3.37Å; M14-C17 PolarHBondContact O-N 3.24Å; M14-C17 VanDerWaalsContact O-N 3.1Å; M14-N18 PolarHBondContact O-N 2.91Å; M14-Y31 HydrophobicContact CB-CD1 4.42Å; M14-Y31 HydrophobicContact CB-CE1 4.21Å; M14-I44 HydrophobicContact CG-CG2 3.8Å; M14-I44 HydrophobicContact SD-CG2 3.79Å; M14-I52 HydrophobicContact CG-CD1 3.99Å; M14-Y55 HydrophobicContact CB-CG 4.29Å; M14-Y55 HydrophobicContact CE-CD2 3.7Å; M14-Y55 HydrophobicContact CE-CG 4.16Å; M14-Y55 HydrophobicContact CG-CG 4.2Å; M14-L57 HydrophobicContact CE-CB 4.23Å; M14-L57 HydrophobicContact CE-CD1 3.83Å |
| 15 | Q | 98.4 | Very high | 97.2 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 23% | 0.229 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 175.5 | -173.8 | -172.3 | 49 | 0 | 0 | 111.4 | L11 M12 C17 N18 L19 Y26 M28 Y31 | L11-Q15 PolarHBondContact O-N 2.86Å; M12-Q15 PolarHBondContact O-N 3.29Å; Q15-C17 VanDerWaalsContact C-N 3.29Å; Q15-C17 PolarHBondContact O-N 3.25Å; Q15-N18 WeakPolarHBondContact O-CB 3.47Å; Q15-N18 PolarHBondContact O-N 2.82Å; Q15-L19 HydrophobicContact CG-CD1 4.28Å; Q15-L19 PolarHBondContact O-N 2.78Å; Q15-Y26 PolarHBondContact NE2-O 2.78Å; Q15-M28 HydrophobicContact CB-CE 3.87Å; Q15-M28 HydrophobicContact CG-CE 4.34Å; Q15-Y31 HydrophobicContact CB-CD2 4.28Å; Q15-Y31 HydrophobicContact CB-CE1 4.37Å; Q15-Y31 HydrophobicContact CB-CE2 3.84Å; Q15-Y31 HydrophobicContact CG-CD2 4.4Å; Q15-Y31 HydrophobicContact CG-CE2 3.76Å |
| 16 | H | 98.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 62.8 Ų | 62.8 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 174.7 | -178.8 | 68.9 | 0 | 0 | 0 | 112 | M12 N13 M14 L20 | M12-H16 PolarHBondContact O-N 3.33Å; N13-H16 PolarHBondContact O-N 3.26Å; M14-H16 VanDerWaalsContact C-N 3.33Å; M14-H16 PolarHBondContact O-N 2.81Å; H16-L20 WeakPolarHBondContact NE2-CD1 3.29Å; H16-L20 WeakPolarHBondContact O-CG 3.49Å; H16-L20 PolarHBondContact O-N 3.13Å |
| 17 | C | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66 | -36.5 | 175.8 | -168.5 | 0 | 0 | 0 | 0 | 112.8 | N13 M14 Q15 L20 C21 I52 Y55 | N13-C17 WeakPolarHBondContact O-CB 3.29Å; N13-C17 PolarHBondContact O-N 3.03Å; M14-C17 WeakPolarHBondContact O-CB 3.37Å; M14-C17 PolarHBondContact O-N 3.24Å; M14-C17 VanDerWaalsContact O-N 3.1Å; Q15-C17 VanDerWaalsContact C-N 3.29Å; Q15-C17 PolarHBondContact O-N 3.25Å; C17-L20 PolarHBondContact O-N 3.44Å; C17-C21 WeakPolarHBondContact O-CB 3.46Å; C17-C21 PolarHBondContact O-N 3.37Å; C17-C21 PolarHBondContact O-SG 2.82Å; C17-I52 HydrophobicContact CB-CG2 4.36Å; C17-Y55 HydrophobicContact CB-CD1 3.87Å; C17-Y55 HydrophobicContact CB-CE1 3.97Å |
| 18 | N | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.7 | -53 | 175.6 | 175.6 | -121.2 | 0 | 0 | 0 | 110.9 | M14 Q15 L20 C21 L22 E24 N25 Y31 Y55 | M14-N18 PolarHBondContact O-N 2.91Å; Q15-N18 WeakPolarHBondContact O-CB 3.47Å; Q15-N18 PolarHBondContact O-N 2.82Å; N18-L20 PolarHBondContact O-N 2.9Å; N18-L20 VanDerWaalsContact O-N 3.13Å; N18-C21 PolarHBondContact O-N 3.24Å; N18-L22 PolarHBondContact O-N 3.02Å; N18-E24 PolarHBondContact ND2-O 2.99Å; N18-E24 VanDerWaalsContact ND2-O 3.11Å; N18-E24 PolarHBondContact OD1-O 3.45Å; N18-N25 WeakPolarHBondContact OD1-CA 3.43Å; N18-N25 PolarHBondContact OD1-OD1 3.49Å; N18-Y31 WeakPolarHBondContact CB-OH 3.47Å; N18-Y31 PolarHBondContact OD1-OH 2.83Å; N18-Y31 VanDerWaalsContact OD1-OH 3.05Å; N18-Y55 HydrophobicContact CB-CE1 4.1Å; N18-Y55 WeakPolarHBondContact CB-OH 3.43Å; N18-Y55 PolarHBondContact ND2-OH 2.83Å |
| 19 | L | 97.6 | Very high | 97.2 | Very high | 102 Ų | 102 | 69.6 Ų | 69.6 | 53% | 0.534 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.3 | -32.8 | 178.4 | -74.7 | 162.1 | 0 | 0 | 0 | 113.4 | Q15 N25 | Q15-L19 HydrophobicContact CG-CD1 4.28Å; Q15-L19 PolarHBondContact O-N 2.78Å; L19-N25 VanDerWaalsContact CA-OD1 3.3Å; L19-N25 WeakPolarHBondContact CA-OD1 3.39Å; L19-N25 HydrophobicContact CD2-CB 4.3Å; L19-N25 WeakPolarHBondContact CD2-OD1 3.37Å |
| 20 | L | 97.1 | Very high | 97.2 | Very high | 109 Ų | 109 | 67.3 Ų | 67.3 | 57% | 0.571 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -80.7 | -21.7 | 178 | -69.6 | 176.3 | 0 | 0 | 0 | 114 | H16 C17 N18 | H16-L20 WeakPolarHBondContact NE2-CD1 3.29Å; H16-L20 WeakPolarHBondContact O-CG 3.49Å; H16-L20 PolarHBondContact O-N 3.13Å; C17-L20 PolarHBondContact O-N 3.44Å; N18-L20 PolarHBondContact O-N 2.9Å; N18-L20 VanDerWaalsContact O-N 3.13Å |
| 21 | C | 95.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 66.8 Ų | 66.8 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -115.1 | -26.9 | -166.7 | -66 | 0 | 0 | 0 | 0 | 114.4 | C17 N18 A76 | C17-C21 WeakPolarHBondContact O-CB 3.46Å; C17-C21 PolarHBondContact O-N 3.37Å; C17-C21 PolarHBondContact O-SG 2.82Å; N18-C21 PolarHBondContact O-N 3.24Å; C21-A76 HydrophobicContact CB-CB 3.7Å |
| 22 | L | 95.5 | Very high | 97.2 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | trans | -135.1 | 145.5 | -168.5 | -63.8 | 176.5 | 0 | 0 | 0 | 111.7 | N18 N25 S74 A76 | N18-L22 PolarHBondContact O-N 3.02Å; L22-N25 PolarHBondContact O-ND2 3.35Å; L22-S74 WeakPolarHBondContact CD1-OG 3.32Å; L22-A76 HydrophobicContact CD1-CB 4.01Å; L22-A76 HydrophobicContact CG-CB 4.21Å | ||
| 23 | P | 93.8 | Very high | 97.2 | Very high | 96 Ų | 96 | 67.9 Ų | 67.9 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -77.2 | -27.9 | 173 | 26.7 | -26 | 0 | 0 | 0 | 112.7 | N25 | P23-N25 PolarHBondContact O-N 3.15Å; P23-N25 PolarHBondContact O-ND2 2.87Å |
| 24 | E | 93.7 | Very high | 97.2 | Very high | 50 Ų | 50 | 63.8 Ų | 63.8 | 23% | 0.234 | 31% | 0.31 | C | S | . | . | trans | -79.8 | 111.2 | 175 | -62.3 | 73.9 | -153.9 | 0 | 0 | 110.9 | N18 R112 Y138 | N18-E24 PolarHBondContact ND2-O 2.99Å; N18-E24 VanDerWaalsContact ND2-O 3.11Å; N18-E24 PolarHBondContact OD1-O 3.45Å; E24-R112 IonicContact OE1-CZ 2.71Å; E24-R112 IonicContact OE1-NE 2.63Å; E24-R112 PolarHBondContact OE1-NE 3.39Å; E24-R112 IonicContact OE1-NH2 3.32Å; E24-R112 PolarHBondContact OE1-NH2 2.95Å; E24-Y138 HydrophobicContact CG-CD1 4.23Å; E24-Y138 HydrophobicContact CG-CE1 4.16Å | ||
| 25 | N | 96.7 | Very high | 97.2 | Very high | 71 Ų | 71 | 64.5 Ų | 64.5 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | trans | -120.7 | 152 | -173.6 | -68.3 | -78 | 0 | 0 | 0 | 112 | N18 L19 L22 P23 | N18-N25 WeakPolarHBondContact OD1-CA 3.43Å; N18-N25 PolarHBondContact OD1-OD1 3.49Å; L19-N25 VanDerWaalsContact CA-OD1 3.3Å; L19-N25 WeakPolarHBondContact CA-OD1 3.39Å; L19-N25 HydrophobicContact CD2-CB 4.3Å; L19-N25 WeakPolarHBondContact CD2-OD1 3.37Å; L22-N25 PolarHBondContact O-ND2 3.35Å; P23-N25 PolarHBondContact O-N 3.15Å; P23-N25 PolarHBondContact O-ND2 2.87Å | ||
| 26 | Y | 96.8 | Very high | 97.1 | Very high | 69 Ų | 69 | 68.4 Ų | 68.4 | 27% | 0.271 | 34% | 0.339 | S | S | . | . | trans | -129.7 | 150.3 | -177.2 | -47.5 | -84.9 | 0 | 0 | 0 | 111.9 | Q15 Y30 T73 | Q15-Y26 PolarHBondContact NE2-O 2.78Å; Y26-Y30 AromaticContact CD1-CD1 3.5Å; Y26-Y30 HydrophobicContact CD1-CD1 3.5Å; Y26-Y30 VanDerWaalsContact CD1-CD1 3.5Å; Y26-Y30 AromaticContact CD1-CE1 3.63Å; Y26-Y30 HydrophobicContact CD1-CE1 3.63Å; Y26-Y30 HydrophobicContact CD1-CG 4.48Å; Y26-Y30 HydrophobicContact CD2-CD1 4.49Å; Y26-Y30 HydrophobicContact CE1-CD1 4.21Å; Y26-Y30 AromaticContact CE1-CE1 3.87Å; Y26-Y30 HydrophobicContact CE1-CE1 3.87Å; Y26-Y30 AromaticContact CG-CD1 3.67Å; Y26-Y30 HydrophobicContact CG-CD1 3.67Å; Y26-Y30 HydrophobicContact CG-CE1 4.16Å; Y26-T73 HydrophobicContact CE2-CG2 4.47Å; Y26-T73 PolarHBondContact OH-O 3.44Å | ||
| 27 | Q | 97.6 | Very high | 97.1 | Very high | 155 Ų | 155 | 66 Ų | 66 | 72% | 0.724 | 33% | 0.334 | S | S | * | . | trans | -70.7 | 154.6 | 172.2 | -65.2 | -171 | -18.3 | 0 | 0 | 111.6 | K29 Y30 | Q27-K29 PolarHBondContact O-N 3.35Å; Q27-K29 VanDerWaalsContact O-N 3.16Å; Q27-Y30 WeakPolarHBondContact O-CB 3.35Å; Q27-Y30 PolarHBondContact O-N 2.99Å | ||
| 28 | M | 97.8 | Very high | 97.1 | Very high | 50 Ų | 50 | 66.9 Ų | 66.9 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.5 | -34.3 | -178.8 | -174.8 | 52.2 | 56 | 0 | 0 | 113 | L11 M12 Q15 Y30 Y31 L32 | L11-M28 HydrophobicContact CB-SD 4.23Å; M12-M28 HydrophobicContact CB-CE 4.33Å; M12-M28 HydrophobicContact CG-CE 3.7Å; M12-M28 HydrophobicContact CG-SD 4.41Å; Q15-M28 HydrophobicContact CB-CE 3.87Å; Q15-M28 HydrophobicContact CG-CE 4.34Å; M28-Y30 PolarHBondContact O-N 3.27Å; M28-Y30 VanDerWaalsContact O-N 3.16Å; M28-Y31 PolarHBondContact O-N 3.19Å; M28-Y31 VanDerWaalsContact O-N 3.09Å; M28-L32 HydrophobicContact CG-CD1 4.2Å; M28-L32 HydrophobicContact CG-CG 4.38Å; M28-L32 PolarHBondContact O-N 2.92Å |
| 29 | K | 97.9 | Very high | 97.1 | Very high | 170 Ų | 170 | 69.4 Ų | 69.4 | 74% | 0.739 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -52.4 | -37.6 | 174.1 | -177.1 | -177.8 | 176 | -173.7 | 0 | 112.2 | Q27 L32 Y33 | Q27-K29 PolarHBondContact O-N 3.35Å; Q27-K29 VanDerWaalsContact O-N 3.16Å; K29-L32 PolarHBondContact O-N 3.39Å; K29-Y33 WeakPolarHBondContact O-CB 3.46Å; K29-Y33 PolarHBondContact O-N 3.44Å |
| 30 | Y | 98 | Very high | 97.2 | Very high | 81 Ų | 81 | 68 Ų | 68 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -73.6 | -36.6 | -179.2 | -162 | -122.3 | 0 | 0 | 0 | 112.4 | Y26 Q27 M28 Y33 H34 T73 | Y26-Y30 AromaticContact CD1-CD1 3.5Å; Y26-Y30 HydrophobicContact CD1-CD1 3.5Å; Y26-Y30 VanDerWaalsContact CD1-CD1 3.5Å; Y26-Y30 AromaticContact CD1-CE1 3.63Å; Y26-Y30 HydrophobicContact CD1-CE1 3.63Å; Y26-Y30 HydrophobicContact CD1-CG 4.48Å; Y26-Y30 HydrophobicContact CD2-CD1 4.49Å; Y26-Y30 HydrophobicContact CE1-CD1 4.21Å; Y26-Y30 AromaticContact CE1-CE1 3.87Å; Y26-Y30 HydrophobicContact CE1-CE1 3.87Å; Y26-Y30 AromaticContact CG-CD1 3.67Å; Y26-Y30 HydrophobicContact CG-CD1 3.67Å; Y26-Y30 HydrophobicContact CG-CE1 4.16Å; Q27-Y30 WeakPolarHBondContact O-CB 3.35Å; Q27-Y30 PolarHBondContact O-N 2.99Å; M28-Y30 PolarHBondContact O-N 3.27Å; M28-Y30 VanDerWaalsContact O-N 3.16Å; Y30-Y33 HydrophobicContact CD2-CD1 4.37Å; Y30-Y33 HydrophobicContact CE2-CD1 4.32Å; Y30-Y33 PolarHBondContact O-N 3.32Å; Y30-H34 AromaticContact CD1-CE1 3.83Å; Y30-H34 AromaticContact CE1-CE1 3.44Å; Y30-H34 VanDerWaalsContact CE1-CE1 3.44Å; Y30-H34 WeakPolarHBondContact CE1-CE1 3.47Å; Y30-H34 AromaticContact CE2-CE1 3.89Å; Y30-H34 AromaticContact CZ-CE1 3.47Å; Y30-H34 VanDerWaalsContact CZ-CE1 3.47Å; Y30-H34 PolarHBondContact O-N 3.13Å; Y30-H34 PolarHBondContact O-ND1 3.32Å; Y30-T73 HydrophobicContact CE1-CG2 3.64Å |
| 31 | Y | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 171.6 | -72 | -92 | 0 | 0 | 0 | 111.6 | M14 Q15 N18 M28 H34 G35 L57 | M14-Y31 HydrophobicContact CB-CD1 4.42Å; M14-Y31 HydrophobicContact CB-CE1 4.21Å; Q15-Y31 HydrophobicContact CB-CD2 4.28Å; Q15-Y31 HydrophobicContact CB-CE1 4.37Å; Q15-Y31 HydrophobicContact CB-CE2 3.84Å; Q15-Y31 HydrophobicContact CG-CD2 4.4Å; Q15-Y31 HydrophobicContact CG-CE2 3.76Å; N18-Y31 WeakPolarHBondContact CB-OH 3.47Å; N18-Y31 PolarHBondContact OD1-OH 2.83Å; N18-Y31 VanDerWaalsContact OD1-OH 3.05Å; M28-Y31 PolarHBondContact O-N 3.19Å; M28-Y31 VanDerWaalsContact O-N 3.09Å; Y31-H34 PolarHBondContact O-N 2.97Å; Y31-G35 PolarHBondContact O-N 2.99Å; Y31-L57 HydrophobicContact CD1-CD1 4.26Å; Y31-L57 HydrophobicContact CD1-CD2 4.06Å; Y31-L57 HydrophobicContact CE1-CD2 4Å |
| 32 | L | 98.1 | Very high | 97.4 | Very high | 76 Ų | 76 | 61.7 Ų | 61.7 | 40% | 0.398 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.4 | -72.4 | 168.7 | 0 | 0 | 0 | 111.6 | L11 M28 K29 H34 G35 L36 | L11-L32 HydrophobicContact CD1-CD2 3.88Å; L11-L32 HydrophobicContact CD1-CG 4.46Å; M28-L32 HydrophobicContact CG-CD1 4.2Å; M28-L32 HydrophobicContact CG-CG 4.38Å; M28-L32 PolarHBondContact O-N 2.92Å; K29-L32 PolarHBondContact O-N 3.39Å; L32-H34 VanDerWaalsContact C-N 3.33Å; L32-H34 PolarHBondContact O-N 3.1Å; L32-G35 PolarHBondContact O-N 3.48Å; L32-L36 VanDerWaalsContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.05Å; L32-L36 PolarHBondContact O-N 3.32Å |
| 33 | Y | 98 | Very high | 97.6 | Very high | 85 Ų | 85 | 61.1 Ų | 61.1 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.2 | -47.5 | 174.7 | 170 | -110.3 | 0 | 0 | 0 | 111.6 | K29 Y30 L36 S37 W38 E62 | K29-Y33 WeakPolarHBondContact O-CB 3.46Å; K29-Y33 PolarHBondContact O-N 3.44Å; Y30-Y33 HydrophobicContact CD2-CD1 4.37Å; Y30-Y33 HydrophobicContact CE2-CD1 4.32Å; Y30-Y33 PolarHBondContact O-N 3.32Å; Y33-L36 PolarHBondContact O-N 3.22Å; Y33-S37 WeakPolarHBondContact CE2-OG 3.47Å; Y33-S37 VanDerWaalsContact O-CB 3.24Å; Y33-S37 WeakPolarHBondContact O-CB 3.37Å; Y33-S37 PolarHBondContact O-N 3.49Å; Y33-S37 PolarHBondContact O-OG 2.86Å; Y33-W38 HydrophobicContact CD1-CZ3 4.3Å; Y33-W38 AromaticContact CE1-CH2 3.87Å; Y33-W38 HydrophobicContact CE1-CH2 3.87Å; Y33-W38 AromaticContact CE1-CZ3 3.68Å; Y33-W38 HydrophobicContact CE1-CZ3 3.68Å; Y33-W38 AromaticContact CZ-CH2 3.74Å; Y33-W38 AromaticContact CZ-CZ3 3.93Å; Y33-W38 WeakPolarHBondContact OH-CH2 3.49Å; Y33-E62 PolarHBondContact OH-OE1 3.45Å; Y33-E62 PolarHBondContact OH-OE2 3.32Å |
| 34 | H | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 175.9 | -74.8 | 72.2 | 0 | 0 | 0 | 112.8 | Y30 Y31 L32 L36 W38 L57 T73 | Y30-H34 AromaticContact CD1-CE1 3.83Å; Y30-H34 AromaticContact CE1-CE1 3.44Å; Y30-H34 VanDerWaalsContact CE1-CE1 3.44Å; Y30-H34 WeakPolarHBondContact CE1-CE1 3.47Å; Y30-H34 AromaticContact CE2-CE1 3.89Å; Y30-H34 AromaticContact CZ-CE1 3.47Å; Y30-H34 VanDerWaalsContact CZ-CE1 3.47Å; Y30-H34 PolarHBondContact O-N 3.13Å; Y30-H34 PolarHBondContact O-ND1 3.32Å; Y31-H34 PolarHBondContact O-N 2.97Å; L32-H34 VanDerWaalsContact C-N 3.33Å; L32-H34 PolarHBondContact O-N 3.1Å; H34-L36 VanDerWaalsContact C-N 3.25Å; H34-L36 PolarHBondContact O-N 2.89Å; H34-W38 CarbonylContact O-C 3.53Å; H34-W38 PolarHBondContact O-N 2.81Å; H34-L57 HydrophobicContact CB-CD1 3.67Å; H34-L57 HydrophobicContact CB-CG 4.34Å; H34-T73 PolarHBondContact NE2-OG1 3.08Å |
| 35 | G | 97.3 | Very high | 98 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -23.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y31 L32 P39 | Y31-G35 PolarHBondContact O-N 2.99Å; L32-G35 PolarHBondContact O-N 3.48Å; G35-P39 WeakPolarHBondContact O-CB 3.33Å |
| 36 | L | 97.4 | Very high | 98.1 | Very high | 132 Ų | 132 | 52 Ų | 52 | 69% | 0.691 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -94.5 | -35 | 178.6 | -64.9 | 173.4 | 0 | 0 | 0 | 112.6 | L32 Y33 H34 | L32-L36 VanDerWaalsContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CB 3.44Å; L32-L36 WeakPolarHBondContact O-CG 3.05Å; L32-L36 PolarHBondContact O-N 3.32Å; Y33-L36 PolarHBondContact O-N 3.22Å; H34-L36 VanDerWaalsContact C-N 3.25Å; H34-L36 PolarHBondContact O-N 2.89Å |
| 37 | S | 97.8 | Very high | 98.1 | Very high | 52 Ų | 52 | 50.2 Ų | 50.2 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -79.8 | -41.3 | 179 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | Y33 | Y33-S37 WeakPolarHBondContact CE2-OG 3.47Å; Y33-S37 VanDerWaalsContact O-CB 3.24Å; Y33-S37 WeakPolarHBondContact O-CB 3.37Å; Y33-S37 PolarHBondContact O-N 3.49Å; Y33-S37 PolarHBondContact O-OG 2.86Å |
| 38 | W | 98.4 | Very high | 98 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | trans | -135.4 | 62.7 | -176.9 | -51 | -76.2 | 0 | 0 | 0 | 112.6 | Y33 H34 Q40 L41 K59 M60 E62 F102 | Y33-W38 HydrophobicContact CD1-CZ3 4.3Å; Y33-W38 AromaticContact CE1-CH2 3.87Å; Y33-W38 HydrophobicContact CE1-CH2 3.87Å; Y33-W38 AromaticContact CE1-CZ3 3.68Å; Y33-W38 HydrophobicContact CE1-CZ3 3.68Å; Y33-W38 AromaticContact CZ-CH2 3.74Å; Y33-W38 AromaticContact CZ-CZ3 3.93Å; Y33-W38 WeakPolarHBondContact OH-CH2 3.49Å; H34-W38 CarbonylContact O-C 3.53Å; H34-W38 PolarHBondContact O-N 2.81Å; W38-Q40 PolarHBondContact O-N 2.84Å; W38-L41 HydrophobicContact CB-CB 4.24Å; W38-L41 HydrophobicContact CB-CD1 3.72Å; W38-L41 HydrophobicContact CB-CG 3.86Å; W38-L41 HydrophobicContact CG-CD1 4.04Å; W38-L41 PolarHBondContact O-N 2.71Å; W38-L41 VanDerWaalsContact O-N 3.09Å; W38-K59 HydrophobicContact CD2-CB 3.91Å; W38-K59 HydrophobicContact CE3-CB 3.34Å; W38-K59 HydrophobicContact CH2-CB 3.76Å; W38-K59 HydrophobicContact CH2-CD 4.28Å; W38-K59 HydrophobicContact CZ2-CB 4.28Å; W38-K59 HydrophobicContact CZ3-CB 3.28Å; W38-K59 HydrophobicContact CZ3-CD 4.26Å; W38-K59 HydrophobicContact CZ3-CG 4.37Å; W38-M60 HydrophobicContact CZ2-CB 4.45Å; W38-M60 WeakPolarHBondContact CZ2-O 3.41Å; W38-E62 HydrophobicContact CH2-CG 4.38Å; W38-E62 VanDerWaalsContact CH2-OE1 3.31Å; W38-E62 WeakPolarHBondContact CH2-OE1 3.32Å; W38-E62 HydrophobicContact CZ2-CG 3.91Å; W38-E62 WeakPolarHBondContact CZ2-OE1 3.35Å; W38-F102 AromaticContact CD1-CZ 3.74Å | ||
| 39 | P | 98.2 | Very high | 97.8 | Very high | 53 Ų | 53 | 55 Ų | 55 | 34% | 0.344 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.7 | -174.7 | 19.3 | -30.2 | 0 | 0 | 0 | 113.6 | N5 G35 L41 | N5-P39 PolarHBondContact ND2-O 3.1Å; N5-P39 PolarHBondContact OD1-O 3.47Å; G35-P39 WeakPolarHBondContact O-CB 3.33Å; P39-L41 VanDerWaalsContact C-N 3.35Å; P39-L41 PolarHBondContact O-N 2.91Å |
| 40 | Q | 98.4 | Very high | 97.7 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.3 | -177.1 | -54.9 | 83.1 | -2.4 | 0 | 0 | 114 | N5 W38 Y43 A97 | N5-Q40 PolarHBondContact ND2-O 2.81Å; W38-Q40 PolarHBondContact O-N 2.84Å; Q40-Y43 VanDerWaalsContact O-CE2 3.26Å; Q40-Y43 WeakPolarHBondContact O-CE2 3.44Å; Q40-A97 VanDerWaalsContact O-CB 3.31Å; Q40-A97 WeakPolarHBondContact O-CB 3.46Å |
| 41 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -24.7 | -165.3 | -61.1 | -169 | 0 | 0 | 0 | 114.5 | W38 P39 A58 M60 A94 A97 M98 F102 | W38-L41 HydrophobicContact CB-CB 4.24Å; W38-L41 HydrophobicContact CB-CD1 3.72Å; W38-L41 HydrophobicContact CB-CG 3.86Å; W38-L41 HydrophobicContact CG-CD1 4.04Å; W38-L41 PolarHBondContact O-N 2.71Å; W38-L41 VanDerWaalsContact O-N 3.09Å; P39-L41 VanDerWaalsContact C-N 3.35Å; P39-L41 PolarHBondContact O-N 2.91Å; L41-A58 HydrophobicContact CB-CB 4.1Å; L41-M60 HydrophobicContact CD1-CG 3.92Å; L41-M60 HydrophobicContact CD1-SD 4.09Å; L41-A94 WeakPolarHBondContact O-CB 3.27Å; L41-A97 HydrophobicContact CD2-CB 3.74Å; L41-M98 HydrophobicContact CD1-CG 4.1Å; L41-M98 HydrophobicContact CD2-CB 4.33Å; L41-M98 HydrophobicContact CD2-CG 3.75Å; L41-M98 HydrophobicContact CG-CG 4.5Å; L41-F102 HydrophobicContact CD1-CD2 4.14Å; L41-F102 HydrophobicContact CD1-CE2 3.89Å; L41-F102 HydrophobicContact CD2-CD2 3.93Å; L41-F102 HydrophobicContact CD2-CE2 3.68Å; L41-F102 HydrophobicContact CG-CD2 4.34Å; L41-F102 HydrophobicContact CG-CE2 3.79Å |
| 42 | S | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | trans | -90.9 | 137.9 | -178.2 | -62.5 | 0 | 0 | 0 | 0 | 111 | N5 A6 V56 A58 | N5-S42 PolarHBondContact ND2-O 2.93Å; A6-S42 WeakPolarHBondContact CB-O 3.44Å; A6-S42 PolarHBondContact N-O 2.85Å; S42-V56 WeakPolarHBondContact CA-O 3.37Å; S42-V56 WeakPolarHBondContact CB-O 3.18Å; S42-A58 PolarHBondContact OG-N 2.88Å | ||
| 43 | Y | 98.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152.6 | -178.5 | -76.3 | -104.7 | 0 | 0 | 0 | 110.4 | I3 R4 N5 Q40 Y55 V56 Q93 A94 A97 | I3-Y43 HydrophobicContact CG2-CD1 4.4Å; R4-Y43 WeakPolarHBondContact O-CA 3.19Å; R4-Y43 WeakPolarHBondContact O-CD1 3.44Å; N5-Y43 HydrophobicContact CB-CD1 4.29Å; N5-Y43 HydrophobicContact CB-CE1 3.9Å; Q40-Y43 VanDerWaalsContact O-CE2 3.26Å; Q40-Y43 WeakPolarHBondContact O-CE2 3.44Å; Y43-Y55 CarbonylContact O-C 3.56Å; Y43-Y55 VanDerWaalsContact O-CA 3.32Å; Y43-Y55 WeakPolarHBondContact O-CA 3.42Å; Y43-V56 PolarHBondContact N-O 2.96Å; Y43-V56 PolarHBondContact O-N 2.89Å; Y43-Q93 HydrophobicContact CD1-CB 3.68Å; Y43-Q93 HydrophobicContact CD1-CG 4.19Å; Y43-Q93 HydrophobicContact CD2-CB 4.01Å; Y43-Q93 HydrophobicContact CE1-CB 3.67Å; Y43-Q93 HydrophobicContact CE1-CG 4.16Å; Y43-Q93 HydrophobicContact CE2-CB 3.99Å; Y43-Q93 HydrophobicContact CG-CB 3.89Å; Y43-A94 HydrophobicContact CD2-CB 4.45Å; Y43-A97 HydrophobicContact CE2-CB 4.2Å |
| 44 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 155.7 | 175.5 | 66.6 | 167.7 | 0 | 0 | 0 | 110.6 | I3 R4 A6 D10 M14 I52 | I3-I44 WeakPolarHBondContact CA-O 3.34Å; R4-I44 HydrophobicContact CG-CD1 4.41Å; R4-I44 HydrophobicContact CG-CG1 3.99Å; R4-I44 PolarHBondContact N-O 3.19Å; R4-I44 VanDerWaalsContact N-O 3.13Å; R4-I44 VanDerWaalsContact NH2-CD1 3.27Å; R4-I44 PolarHBondContact O-N 3.4Å; A6-I44 HydrophobicContact CB-CG2 3.92Å; D10-I44 HydrophobicContact CB-CD1 4.21Å; D10-I44 HydrophobicContact CB-CG2 4.5Å; M14-I44 HydrophobicContact CG-CG2 3.8Å; M14-I44 HydrophobicContact SD-CG2 3.79Å; I44-I52 HydrophobicContact CB-CD1 4.29Å; I44-I52 HydrophobicContact CD1-CD1 3.9Å; I44-I52 HydrophobicContact CD1-CG1 4.06Å; I44-I52 HydrophobicContact CG2-CD1 3.93Å |
| 45 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | N2 I3 V53 G54 L86 L90 | N2-A45 CarbonylContact O-C 3.56Å; N2-A45 VanDerWaalsContact O-CA 3.29Å; N2-A45 WeakPolarHBondContact O-CA 3.26Å; I3-A45 HydrophobicContact CG1-CB 4.15Å; A45-V53 HydrophobicContact CB-CG2 4.16Å; A45-V53 VanDerWaalsContact O-CG2 3.32Å; A45-V53 WeakPolarHBondContact O-CG2 3.21Å; A45-V53 PolarHBondContact O-N 3.01Å; A45-G54 PolarHBondContact N-O 3.07Å; A45-G54 PolarHBondContact O-N 3.32Å; A45-L86 HydrophobicContact CB-CD1 4.34Å; A45-L86 HydrophobicContact CB-CD2 4.4Å; A45-L90 HydrophobicContact CB-CD1 4.31Å; A45-L90 HydrophobicContact CB-CD2 4.41Å |
| 46 | E | 97.9 | Very high | 97.7 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.8 | 179 | 66 | -167.1 | 178.7 | 0 | 0 | 111.6 | M1 N2 R4 K51 | M1-E46 CarbonylContact C-O 3.48Å; M1-E46 WeakPolarHBondContact CA-O 3.25Å; N2-E46 HydrophobicContact CB-CG 3.83Å; N2-E46 PolarHBondContact N-O 3.17Å; N2-E46 PolarHBondContact ND2-OE1 3.05Å; N2-E46 PolarHBondContact O-N 3.23Å; R4-E46 IonicContact CZ-OE1 3.23Å; R4-E46 IonicContact CZ-OE2 2.97Å; R4-E46 VanDerWaalsContact CZ-OE2 3.31Å; R4-E46 VanDerWaalsContact NE-CD 3.3Å; R4-E46 IonicContact NE-OE1 3.65Å; R4-E46 PolarHBondContact NE-OE1 3.17Å; R4-E46 IonicContact NE-OE2 3.87Å; R4-E46 PolarHBondContact NE-OE2 3.35Å; R4-E46 IonicContact NH2-OE2 2.81Å; R4-E46 PolarHBondContact NH2-OE2 3Å; E46-K51 VanDerWaalsContact CA-O 3.24Å; E46-K51 WeakPolarHBondContact CA-O 3.47Å |
| 47 | D | 96.4 | Very high | 97.8 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | trans | -80.8 | -175.4 | 172.2 | 66.3 | 16.2 | 0 | 0 | 0 | 112.1 | M1 D49 G50 K51 V53 | M1-D47 HydrophobicContact CE-CB 3.78Å; M1-D47 VanDerWaalsContact SD-CA 3.59Å; M1-D47 HydrophobicContact SD-CB 3.82Å; D47-D49 PolarHBondContact O-N 3.47Å; D47-D49 WeakPolarHBondContact OD1-CA 3.26Å; D47-D49 WeakPolarHBondContact OD1-CB 3.3Å; D47-D49 PolarHBondContact OD1-N 3.11Å; D47-G50 PolarHBondContact O-N 3.47Å; D47-G50 VanDerWaalsContact O-N 3.1Å; D47-G50 PolarHBondContact OD1-N 3.17Å; D47-K51 PolarHBondContact N-O 3.35Å; D47-K51 WeakPolarHBondContact OD1-CB 3.3Å; D47-K51 PolarHBondContact OD1-N 3.5Å; D47-V53 HydrophobicContact CB-CG1 4.09Å | ||
| 48 | E | 94.8 | Very high | 97.8 | Very high | 188 Ų | 188 | 33.7 Ų | 33.7 | 88% | 0.879 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -22 | -178.8 | -63.4 | 177.9 | -174 | 0 | 0 | 112.7 | G50 | E48-G50 VanDerWaalsContact C-N 3.27Š|
| 49 | D | 95.3 | Very high | 97.8 | Very high | 118 Ų | 118 | 34.2 Ų | 34.2 | 63% | 0.631 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 0.2 | 174.9 | -63.4 | -25.3 | 0 | 0 | 0 | 112.4 | D47 K51 | D47-D49 PolarHBondContact O-N 3.47Å; D47-D49 WeakPolarHBondContact OD1-CA 3.26Å; D47-D49 WeakPolarHBondContact OD1-CB 3.3Å; D47-D49 PolarHBondContact OD1-N 3.11Å; D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 HydrophobicContact CB-CD 4.25Å; D49-K51 HydrophobicContact CB-CG 4.21Å; D49-K51 PolarHBondContact O-N 3.47Å; D49-K51 IonicContact OD2-NZ 2.81Å; D49-K51 PolarHBondContact OD2-NZ 2.99Å |
| 50 | G | 94.4 | Very high | 97.8 | Very high | 40 Ų | 40 | 32.2 Ų | 32.2 | 41% | 0.412 | 16% | 0.163 | S | C | . | . | trans | 74.4 | 14.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | D47 E48 | D47-G50 PolarHBondContact O-N 3.47Å; D47-G50 VanDerWaalsContact O-N 3.1Å; D47-G50 PolarHBondContact OD1-N 3.17Å; E48-G50 VanDerWaalsContact C-N 3.27Å | ||
| 51 | K | 96.7 | Very high | 97.7 | Very high | 114 Ų | 114 | 31.5 Ų | 31.5 | 50% | 0.496 | 16% | 0.16 | S | C | . | . | trans | -81.8 | 133.4 | 176.3 | -62.8 | 167.9 | -174.7 | 140.5 | 0 | 109.8 | E46 D47 D49 V53 | E46-K51 VanDerWaalsContact CA-O 3.24Å; E46-K51 WeakPolarHBondContact CA-O 3.47Å; D47-K51 PolarHBondContact N-O 3.35Å; D47-K51 WeakPolarHBondContact OD1-CB 3.3Å; D47-K51 PolarHBondContact OD1-N 3.5Å; D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 HydrophobicContact CB-CD 4.25Å; D49-K51 HydrophobicContact CB-CG 4.21Å; D49-K51 PolarHBondContact O-N 3.47Å; D49-K51 IonicContact OD2-NZ 2.81Å; D49-K51 PolarHBondContact OD2-NZ 2.99Å; K51-V53 PolarHBondContact O-N 3.2Å | ||
| 52 | I | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 122.6 | 174.6 | -58.7 | -169.8 | 0 | 0 | 0 | 109.8 | D10 N13 M14 C17 I44 G54 K78 | D10-I52 HydrophobicContact CB-CD1 4.09Å; N13-I52 HydrophobicContact CB-CB 4.47Å; N13-I52 HydrophobicContact CB-CD1 3.47Å; N13-I52 VanDerWaalsContact CB-CD1 3.47Å; N13-I52 HydrophobicContact CB-CG1 3.94Å; M14-I52 HydrophobicContact CG-CD1 3.99Å; C17-I52 HydrophobicContact CB-CG2 4.36Å; I44-I52 HydrophobicContact CB-CD1 4.29Å; I44-I52 HydrophobicContact CD1-CD1 3.9Å; I44-I52 HydrophobicContact CD1-CG1 4.06Å; I44-I52 HydrophobicContact CG2-CD1 3.93Å; I52-G54 WeakPolarHBondContact CG2-O 3.35Å; I52-K78 VanDerWaalsContact O-CE 3.23Å; I52-K78 WeakPolarHBondContact O-CE 3.17Å; I52-K78 PolarHBondContact O-NZ 2.88Å |
| 53 | V | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -13.4 | 176 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | M1 A45 D47 K51 K78 H81 L86 | M1-V53 HydrophobicContact SD-CG2 3.85Å; A45-V53 HydrophobicContact CB-CG2 4.16Å; A45-V53 VanDerWaalsContact O-CG2 3.32Å; A45-V53 WeakPolarHBondContact O-CG2 3.21Å; A45-V53 PolarHBondContact O-N 3.01Å; D47-V53 HydrophobicContact CB-CG1 4.09Å; K51-V53 PolarHBondContact O-N 3.2Å; V53-K78 WeakPolarHBondContact O-CB 3.36Å; V53-K78 PolarHBondContact O-N 2.88Å; V53-H81 HydrophobicContact CB-CB 4.08Å; V53-H81 HydrophobicContact CG2-CB 4.34Å; V53-L86 HydrophobicContact CG2-CD1 4.16Å |
| 54 | G | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 163.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A45 I52 A76 | A45-G54 PolarHBondContact N-O 3.07Å; A45-G54 PolarHBondContact O-N 3.32Å; I52-G54 WeakPolarHBondContact CG2-O 3.35Å; G54-A76 CarbonylContact C-O 3.58Å; G54-A76 WeakPolarHBondContact CA-O 3.3Å |
| 55 | Y | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 159.3 | 178.7 | 72.8 | -86.3 | 0 | 0 | 0 | 110.8 | M14 C17 N18 Y43 L57 S74 L75 A76 | M14-Y55 HydrophobicContact CB-CG 4.29Å; M14-Y55 HydrophobicContact CE-CD2 3.7Å; M14-Y55 HydrophobicContact CE-CG 4.16Å; M14-Y55 HydrophobicContact CG-CG 4.2Å; C17-Y55 HydrophobicContact CB-CD1 3.87Å; C17-Y55 HydrophobicContact CB-CE1 3.97Å; N18-Y55 HydrophobicContact CB-CE1 4.1Å; N18-Y55 WeakPolarHBondContact CB-OH 3.43Å; N18-Y55 PolarHBondContact ND2-OH 2.83Å; Y43-Y55 CarbonylContact O-C 3.56Å; Y43-Y55 VanDerWaalsContact O-CA 3.32Å; Y43-Y55 WeakPolarHBondContact O-CA 3.42Å; Y55-L57 HydrophobicContact CD2-CB 4.19Å; Y55-L57 HydrophobicContact CE2-CB 4.06Å; Y55-S74 PolarHBondContact OH-OG 3.04Å; Y55-L75 WeakPolarHBondContact O-CD1 3.15Å; Y55-A76 HydrophobicContact CD1-CB 4.3Å; Y55-A76 HydrophobicContact CE1-CB 3.63Å; Y55-A76 PolarHBondContact N-O 3.43Å; Y55-A76 PolarHBondContact O-N 3.04Å; Y55-A76 VanDerWaalsContact O-N 3.1Å |
| 56 | V | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.7 | 162.6 | 61.8 | 0 | 0 | 0 | 0 | 108.1 | S42 Y43 I72 S74 L75 L90 M91 A94 | S42-V56 WeakPolarHBondContact CA-O 3.37Å; S42-V56 WeakPolarHBondContact CB-O 3.18Å; Y43-V56 PolarHBondContact N-O 2.96Å; Y43-V56 PolarHBondContact O-N 2.89Å; V56-I72 HydrophobicContact CG2-CD1 4.09Å; V56-I72 HydrophobicContact CG2-CG2 4.11Å; V56-S74 WeakPolarHBondContact CA-O 3.44Å; V56-L75 HydrophobicContact CB-CD1 3.71Å; V56-L75 HydrophobicContact CG2-CD1 4.01Å; V56-L90 HydrophobicContact CB-CB 4.18Å; V56-L90 HydrophobicContact CG1-CB 3.91Å; V56-L90 HydrophobicContact CG1-CD2 4.34Å; V56-M91 HydrophobicContact CG2-SD 4.08Å; V56-A94 HydrophobicContact CG1-CB 4.04Å; V56-A94 HydrophobicContact CG2-CB 4.35Å |
| 57 | L | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.5 | 172.6 | -174.8 | 72.7 | 0 | 0 | 0 | 107.1 | M14 Y31 H34 Y55 T73 S74 | M14-L57 HydrophobicContact CE-CB 4.23Å; M14-L57 HydrophobicContact CE-CD1 3.83Å; Y31-L57 HydrophobicContact CD1-CD1 4.26Å; Y31-L57 HydrophobicContact CD1-CD2 4.06Å; Y31-L57 HydrophobicContact CE1-CD2 4Å; H34-L57 HydrophobicContact CB-CD1 3.67Å; H34-L57 HydrophobicContact CB-CG 4.34Å; Y55-L57 HydrophobicContact CD2-CB 4.19Å; Y55-L57 HydrophobicContact CE2-CB 4.06Å; L57-T73 HydrophobicContact CD2-CG2 3.99Å; L57-T73 PolarHBondContact O-N 3.11Å; L57-S74 PolarHBondContact N-O 3.34Å; L57-S74 PolarHBondContact O-N 3.11Å; L57-S74 VanDerWaalsContact O-N 3.14Å |
| 58 | A | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 152.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L41 S42 H71 I72 M98 | L41-A58 HydrophobicContact CB-CB 4.1Å; S42-A58 PolarHBondContact OG-N 2.88Å; A58-H71 WeakPolarHBondContact CA-O 3.43Å; A58-I72 HydrophobicContact CB-CD1 4Å; A58-M98 HydrophobicContact CB-CE 3.61Å |
| 59 | K | 98.5 | Very high | 94.8 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 13% | 0.13 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 171.2 | 177.2 | 61.2 | 170.1 | -178 | 141.6 | 0 | 111.1 | W38 E61 G70 H71 | W38-K59 HydrophobicContact CD2-CB 3.91Å; W38-K59 HydrophobicContact CE3-CB 3.34Å; W38-K59 HydrophobicContact CH2-CB 3.76Å; W38-K59 HydrophobicContact CH2-CD 4.28Å; W38-K59 HydrophobicContact CZ2-CB 4.28Å; W38-K59 HydrophobicContact CZ3-CB 3.28Å; W38-K59 HydrophobicContact CZ3-CD 4.26Å; W38-K59 HydrophobicContact CZ3-CG 4.37Å; K59-E61 WeakPolarHBondContact CE-OE1 3.4Å; K59-E61 IonicContact NZ-OE1 3.64Å; K59-E61 PolarHBondContact NZ-OE1 2.91Å; K59-E61 IonicContact NZ-OE2 3.57Å; K59-E61 PolarHBondContact NZ-OE2 3.39Å; K59-G70 CarbonylContact O-C 3.46Å; K59-G70 WeakPolarHBondContact O-CA 3.31Å; K59-H71 HydrophobicContact CG-CB 3.95Å; K59-H71 PolarHBondContact N-O 3.22Å; K59-H71 PolarHBondContact O-N 2.76Å |
| 60 | M | 98.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 5% | 0.054 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 146.7 | 158.1 | -64.6 | -59.8 | -62.7 | 0 | 0 | 108.9 | W38 L41 P68 H69 M98 F102 A104 | W38-M60 HydrophobicContact CZ2-CB 4.45Å; W38-M60 WeakPolarHBondContact CZ2-O 3.41Å; L41-M60 HydrophobicContact CD1-CG 3.92Å; L41-M60 HydrophobicContact CD1-SD 4.09Å; M60-P68 HydrophobicContact CE-CB 4.29Å; M60-H69 VanDerWaalsContact CE-C 3.46Å; M60-H69 VanDerWaalsContact CE-O 3.32Å; M60-H69 WeakPolarHBondContact CE-O 3.43Å; M60-M98 HydrophobicContact SD-CB 4.35Å; M60-M98 HydrophobicContact SD-CG 4.24Å; M60-F102 HydrophobicContact CE-CB 3.65Å; M60-F102 HydrophobicContact CE-CG 4.42Å; M60-F102 HydrophobicContact CG-CB 3.94Å; M60-F102 HydrophobicContact CG-CD1 4.08Å; M60-F102 HydrophobicContact CG-CD2 3.8Å; M60-F102 HydrophobicContact CG-CE2 4.35Å; M60-F102 HydrophobicContact CG-CG 3.66Å; M60-F102 HydrophobicContact SD-CB 3.69Å; M60-F102 HydrophobicContact SD-CD2 3.93Å; M60-F102 HydrophobicContact SD-CG 3.93Å; M60-A104 HydrophobicContact CE-CB 3.9Å; M60-A104 HydrophobicContact SD-CB 4.35Å |
| 61 | E | 95.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 27% | 0.271 | 22% | 0.222 | S | C | . | . | trans | -75.2 | 141.9 | 164.5 | -72 | -58.7 | 165.1 | 0 | 0 | 110.6 | K59 H69 H71 | K59-E61 WeakPolarHBondContact CE-OE1 3.4Å; K59-E61 IonicContact NZ-OE1 3.64Å; K59-E61 PolarHBondContact NZ-OE1 2.91Å; K59-E61 IonicContact NZ-OE2 3.57Å; K59-E61 PolarHBondContact NZ-OE2 3.39Å; E61-H69 VanDerWaalsContact CG-NE2 3.3Å; E61-H69 WeakPolarHBondContact CG-NE2 3.41Å; E61-H69 PolarHBondContact N-O 3.06Å; E61-H71 HydrophobicContact CG-CB 4.07Å; E61-H71 WeakPolarHBondContact OE1-CB 3.47Å; E61-H71 IonicContact OE1-CD2 2.71Å; E61-H71 IonicContact OE1-CG 2.85Å; E61-H71 IonicContact OE1-ND1 2.98Å | ||
| 62 | E | 85.7 | Confident | 95.2 | Very high | 122 Ų | 122 | 36.8 Ų | 36.8 | 57% | 0.57 | 20% | 0.2 | S | C | * | . | trans | -101.2 | 6.7 | -170.9 | -61.7 | 179.3 | 166.8 | 0 | 0 | 112.6 | Y33 W38 P64 | Y33-E62 PolarHBondContact OH-OE1 3.45Å; Y33-E62 PolarHBondContact OH-OE2 3.32Å; W38-E62 HydrophobicContact CH2-CG 4.38Å; W38-E62 VanDerWaalsContact CH2-OE1 3.31Å; W38-E62 WeakPolarHBondContact CH2-OE1 3.32Å; W38-E62 HydrophobicContact CZ2-CG 3.91Å; W38-E62 WeakPolarHBondContact CZ2-OE1 3.35Å; E62-P64 VanDerWaalsContact O-CD 3.3Å; E62-P64 WeakPolarHBondContact O-CD 3.44Å | ||
| 63 | D | 89.3 | Confident | 95.2 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | trans | -69.8 | 115.1 | 179.8 | -165.9 | -32.4 | 0 | 0 | 0 | 111.1 | D65 D66 K210 | D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 3.21Å; D63-D65 PolarHBondContact OD1-N 3.48Å; D63-D66 HydrophobicContact CB-CB 4.21Å; D63-D66 PolarHBondContact O-N 3.12Å; D63-K210 IonicContact OD1-NZ 2.85Å; D63-K210 PolarHBondContact OD1-NZ 3.43Å; D63-K210 IonicContact OD2-NZ 2.76Å; D63-K210 PolarHBondContact OD2-NZ 3.15Å | ||
| 64 | P | 81.3 | Confident | 95.2 | Very high | 106 Ų | 106 | 37.6 Ų | 37.6 | 69% | 0.688 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -18.1 | -178 | 31.7 | -36.6 | 0 | 0 | 0 | 113.6 | E62 D66 | E62-P64 VanDerWaalsContact O-CD 3.3Å; E62-P64 WeakPolarHBondContact O-CD 3.44Å; P64-D66 VanDerWaalsContact C-N 3.29Å |
| 65 | D | 89 | Confident | 95.2 | Very high | 108 Ų | 108 | 38.5 Ų | 38.5 | 58% | 0.578 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -14.4 | 178.7 | -59.8 | -59.9 | 0 | 0 | 0 | 111.1 | D63 K207 K210 | D63-D65 VanDerWaalsContact C-N 3.28Å; D63-D65 PolarHBondContact O-N 3.21Å; D63-D65 PolarHBondContact OD1-N 3.48Å; D65-K207 IonicContact OD1-NZ 2.71Å; D65-K207 PolarHBondContact OD1-NZ 3.4Å; D65-K210 IonicContact OD2-NZ 3.17Å |
| 66 | D | 89.1 | Confident | 95.2 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -97.4 | 155.8 | 178.9 | -83.4 | -20.4 | 0 | 0 | 0 | 113.3 | D63 P64 H69 | D63-D66 HydrophobicContact CB-CB 4.21Å; D63-D66 PolarHBondContact O-N 3.12Å; P64-D66 VanDerWaalsContact C-N 3.29Å; D66-H69 IonicContact OD2-CE1 3.96Å |
| 67 | V | 94 | Very high | 95.1 | Very high | 80 Ų | 80 | 39.5 Ų | 39.5 | 49% | 0.485 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 142.5 | 168.1 | -62.9 | 0 | 0 | 0 | 0 | 110 | H69 K105 Y106 | V67-H69 PolarHBondContact O-N 3.11Å; V67-H69 VanDerWaalsContact O-N 3.13Å; V67-H69 PolarHBondContact O-ND1 3.3Å; V67-K105 HydrophobicContact CB-CG 4.17Å; V67-K105 HydrophobicContact CG2-CB 4.25Å; V67-K105 HydrophobicContact CG2-CG 4.26Å; V67-Y106 HydrophobicContact CG2-CD1 4.12Å; V67-Y106 HydrophobicContact CG2-CE1 3.6Å |
| 68 | P | 95.7 | Very high | 95.1 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -54.7 | 122.6 | 178.9 | -27.2 | 34.2 | 0 | 0 | 0 | 111.2 | M60 A104 K105 | M60-P68 HydrophobicContact CE-CB 4.29Å; P68-A104 CarbonylContact O-C 3.57Å; P68-A104 WeakPolarHBondContact O-CA 3.35Å; P68-K105 PolarHBondContact O-N 3.21Å |
| 69 | H | 97.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.06 | 27% | 0.266 | C | S | . | . | trans | -146.8 | 148.7 | -178.5 | 66.8 | -86.5 | 0 | 0 | 0 | 111.3 | M60 E61 D66 V67 Y106 | M60-H69 VanDerWaalsContact CE-C 3.46Å; M60-H69 VanDerWaalsContact CE-O 3.32Å; M60-H69 WeakPolarHBondContact CE-O 3.43Å; E61-H69 VanDerWaalsContact CG-NE2 3.3Å; E61-H69 WeakPolarHBondContact CG-NE2 3.41Å; E61-H69 PolarHBondContact N-O 3.06Å; D66-H69 IonicContact OD2-CE1 3.96Å; V67-H69 PolarHBondContact O-N 3.11Å; V67-H69 VanDerWaalsContact O-N 3.13Å; V67-H69 PolarHBondContact O-ND1 3.3Å; H69-Y106 WeakPolarHBondContact CA-O 3.32Å; H69-Y106 HydrophobicContact CB-CD1 3.74Å; H69-Y106 HydrophobicContact CB-CD2 3.8Å; H69-Y106 HydrophobicContact CB-CE1 3.59Å; H69-Y106 HydrophobicContact CB-CE2 3.65Å; H69-Y106 HydrophobicContact CB-CG 3.85Å; H69-Y106 WeakPolarHBondContact CB-O 3.22Å; H69-Y106 AromaticContact CD2-CE2 3.36Å; H69-Y106 WeakPolarHBondContact CD2-CE2 3.43Å; H69-Y106 AromaticContact CD2-CZ 3.53Å; H69-Y106 AromaticContact CE1-CZ 3.94Å; H69-Y106 PolarHBondContact CE1-OH 3.32Å; H69-Y106 AromaticContact CG-CE1 3.8Å; H69-Y106 AromaticContact CG-CE2 3.53Å; H69-Y106 AromaticContact CG-CZ 3.32Å; H69-Y106 AromaticContact ND1-CZ 3.61Å; H69-Y106 PolarHBondContact ND1-OH 3.3Å; H69-Y106 AromaticContact NE2-CE2 3.96Å; H69-Y106 AromaticContact NE2-CZ 3.88Å; H69-Y106 PolarHBondContact NE2-OH 3.08Å | ||
| 70 | G | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 159 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K59 Y106 V107 S108 | K59-G70 CarbonylContact O-C 3.46Å; K59-G70 WeakPolarHBondContact O-CA 3.31Å; G70-Y106 PolarHBondContact N-O 3.16Å; G70-V107 CarbonylContact O-C 3.54Å; G70-V107 VanDerWaalsContact O-CA 3.28Å; G70-V107 WeakPolarHBondContact O-CA 3.41Å; G70-S108 PolarHBondContact O-N 3.41Å; G70-S108 PolarHBondContact O-OG 3.21Å |
| 71 | H | 98.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.4 | 172.8 | -176.4 | 83 | 0 | 0 | 0 | 110.7 | A58 K59 E61 T73 S108 H110 | A58-H71 WeakPolarHBondContact CA-O 3.43Å; K59-H71 HydrophobicContact CG-CB 3.95Å; K59-H71 PolarHBondContact N-O 3.22Å; K59-H71 PolarHBondContact O-N 2.76Å; E61-H71 HydrophobicContact CG-CB 4.07Å; E61-H71 WeakPolarHBondContact OE1-CB 3.47Å; E61-H71 IonicContact OE1-CD2 2.71Å; E61-H71 IonicContact OE1-CG 2.85Å; E61-H71 IonicContact OE1-ND1 2.98Å; H71-T73 PolarHBondContact O-N 3.39Å; H71-S108 WeakPolarHBondContact CA-O 3.4Å; H71-S108 PolarHBondContact ND1-OG 3.27Å; H71-S108 VanDerWaalsContact ND1-OG 3.1Å; H71-H110 AromaticContact CE1-ND1 3.53Å |
| 72 | I | 98.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 99.2 | 174.4 | -52.3 | -61.5 | 0 | 0 | 0 | 108.9 | V56 A58 L75 M91 M98 V107 S108 L109 | V56-I72 HydrophobicContact CG2-CD1 4.09Å; V56-I72 HydrophobicContact CG2-CG2 4.11Å; A58-I72 HydrophobicContact CB-CD1 4Å; I72-L75 HydrophobicContact CG2-CB 4.2Å; I72-M91 HydrophobicContact CD1-CE 3.92Å; I72-M91 HydrophobicContact CD1-SD 3.79Å; I72-M91 HydrophobicContact CG1-CE 3.65Å; I72-M91 HydrophobicContact CG1-SD 3.88Å; I72-M91 HydrophobicContact CG2-SD 4.13Å; I72-M98 HydrophobicContact CD1-CE 3.85Å; I72-V107 HydrophobicContact CD1-CG2 3.85Å; I72-V107 HydrophobicContact CG1-CG2 3.68Å; I72-S108 PolarHBondContact N-O 2.99Å; I72-L109 HydrophobicContact CB-CB 4.01Å; I72-L109 HydrophobicContact CB-CD2 4.49Å; I72-L109 HydrophobicContact CG1-CD2 4.46Å |
| 73 | T | 98.1 | Very high | 94.9 | Very high | 17 Ų | 17 | 65.6 Ų | 65.6 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -43.6 | 177.3 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | Y26 Y30 H34 L57 H71 | Y26-T73 HydrophobicContact CE2-CG2 4.47Å; Y26-T73 PolarHBondContact OH-O 3.44Å; Y30-T73 HydrophobicContact CE1-CG2 3.64Å; H34-T73 PolarHBondContact NE2-OG1 3.08Å; L57-T73 HydrophobicContact CD2-CG2 3.99Å; L57-T73 PolarHBondContact O-N 3.11Å; H71-T73 PolarHBondContact O-N 3.39Å |
| 74 | S | 98.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 67.7 Ų | 67.7 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 137.3 | -178 | -167 | 0 | 0 | 0 | 0 | 112.4 | L22 Y55 V56 L57 | L22-S74 WeakPolarHBondContact CD1-OG 3.32Å; Y55-S74 PolarHBondContact OH-OG 3.04Å; V56-S74 WeakPolarHBondContact CA-O 3.44Å; L57-S74 PolarHBondContact N-O 3.34Å; L57-S74 PolarHBondContact O-N 3.11Å; L57-S74 VanDerWaalsContact O-N 3.14Å |
| 75 | L | 98.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 122.1 | 176.5 | 178.1 | 73.8 | 0 | 0 | 0 | 109 | Y55 V56 I72 A87 L90 M91 L121 Y122 | Y55-L75 WeakPolarHBondContact O-CD1 3.15Å; V56-L75 HydrophobicContact CB-CD1 3.71Å; V56-L75 HydrophobicContact CG2-CD1 4.01Å; I72-L75 HydrophobicContact CG2-CB 4.2Å; L75-A87 HydrophobicContact CD2-CB 4.26Å; L75-L90 HydrophobicContact CD1-CB 4.36Å; L75-L90 HydrophobicContact CD1-CD1 4.48Å; L75-M91 HydrophobicContact CD1-CG 4.2Å; L75-M91 HydrophobicContact CD1-SD 4.3Å; L75-M91 HydrophobicContact CD2-CG 3.82Å; L75-M91 HydrophobicContact CD2-SD 3.92Å; L75-L121 HydrophobicContact CD2-CD2 4.03Å; L75-Y122 HydrophobicContact CD2-CE1 3.84Å; L75-Y122 WeakPolarHBondContact CD2-OH 3.33Å |
| 76 | A | 97.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 146.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C21 L22 G54 Y55 | C21-A76 HydrophobicContact CB-CB 3.7Å; L22-A76 HydrophobicContact CD1-CB 4.01Å; L22-A76 HydrophobicContact CG-CB 4.21Å; G54-A76 CarbonylContact C-O 3.58Å; G54-A76 WeakPolarHBondContact CA-O 3.3Å; Y55-A76 HydrophobicContact CD1-CB 4.3Å; Y55-A76 HydrophobicContact CE1-CB 3.63Å; Y55-A76 PolarHBondContact N-O 3.43Å; Y55-A76 PolarHBondContact O-N 3.04Å; Y55-A76 VanDerWaalsContact O-N 3.1Å |
| 77 | V | 98 | Very high | 96.6 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.5 | 169.5 | -178.4 | 0 | 0 | 0 | 0 | 108 | H81 R82 L86 A87 | V77-H81 HydrophobicContact CG1-CB 4.13Å; V77-H81 WeakPolarHBondContact CG1-O 3.44Å; V77-R82 HydrophobicContact CB-CG 4.42Å; V77-R82 HydrophobicContact CG1-CG 4.28Å; V77-R82 PolarHBondContact O-NE 3.05Å; V77-L86 HydrophobicContact CG1-CB 4.44Å; V77-L86 HydrophobicContact CG1-CD1 4.09Å; V77-L86 HydrophobicContact CG2-CB 4.25Å; V77-A87 HydrophobicContact CG2-CB 4.1Å |
| 78 | K | 97.4 | Very high | 96.8 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 21% | 0.213 | 27% | 0.273 | C | S | . | . | trans | -52.6 | 139.3 | 176.7 | -73.1 | -174.6 | 178.7 | 163.2 | 0 | 109.9 | I52 V53 S80 H81 R82 | I52-K78 VanDerWaalsContact O-CE 3.23Å; I52-K78 WeakPolarHBondContact O-CE 3.17Å; I52-K78 PolarHBondContact O-NZ 2.88Å; V53-K78 WeakPolarHBondContact O-CB 3.36Å; V53-K78 PolarHBondContact O-N 2.88Å; K78-S80 PolarHBondContact O-N 3.39Å; K78-S80 VanDerWaalsContact O-N 3.13Å; K78-H81 CarbonylContact O-C 3.59Å; K78-H81 PolarHBondContact O-N 2.94Å; K78-R82 PolarHBondContact O-N 3.18Å | ||
| 79 | R | 95.3 | Very high | 96.9 | Very high | 215 Ų | 215 | 58.4 Ų | 58.4 | 81% | 0.811 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -53.7 | -38.5 | -174.6 | -171.8 | 176.3 | -178.7 | 172.1 | -0.1 | 113.2 | H81 R82 | R79-H81 PolarHBondContact O-N 3.43Å; R79-R82 PolarHBondContact O-N 2.98Å |
| 80 | S | 96.1 | Very high | 96.9 | Very high | 99 Ų | 99 | 57.8 Ų | 57.8 | 69% | 0.692 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -62.4 | -18.7 | 177.1 | 46.4 | 0 | 0 | 0 | 0 | 114.6 | K78 | K78-S80 PolarHBondContact O-N 3.39Å; K78-S80 VanDerWaalsContact O-N 3.13Å |
| 81 | H | 96.2 | Very high | 96.9 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -119.4 | 12.9 | -175.7 | -64.1 | 79.1 | 0 | 0 | 0 | 112.8 | V53 V77 K78 R79 L84 L86 | V53-H81 HydrophobicContact CB-CB 4.08Å; V53-H81 HydrophobicContact CG2-CB 4.34Å; V77-H81 HydrophobicContact CG1-CB 4.13Å; V77-H81 WeakPolarHBondContact CG1-O 3.44Å; K78-H81 CarbonylContact O-C 3.59Å; K78-H81 PolarHBondContact O-N 2.94Å; R79-H81 PolarHBondContact O-N 3.43Å; H81-L84 HydrophobicContact CB-CD1 4.48Å; H81-L86 HydrophobicContact CB-CD1 4.12Å |
| 82 | R | 94.1 | Very high | 96.9 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 164.7 | 174.2 | -69.2 | -178.3 | -174.3 | -180 | -0.4 | 110.7 | V77 K78 R79 L84 | V77-R82 HydrophobicContact CB-CG 4.42Å; V77-R82 HydrophobicContact CG1-CG 4.28Å; V77-R82 PolarHBondContact O-NE 3.05Å; K78-R82 PolarHBondContact O-N 3.18Å; R79-R82 PolarHBondContact O-N 2.98Å; R82-L84 PolarHBondContact O-N 3.18Å |
| 83 | R | 92.1 | Very high | 96.9 | Very high | 240 Ų | 240 | 62.5 Ų | 62.5 | 91% | 0.906 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 12.4 | -179.2 | -51.5 | -63.8 | -126.6 | -135.7 | 0.4 | 115.3 | ||
| 84 | L | 94.3 | Very high | 96.9 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -97.6 | 10.2 | 173.2 | -59.8 | 178.4 | 0 | 0 | 0 | 113.4 | H81 R82 L86 | H81-L84 HydrophobicContact CB-CD1 4.48Å; R82-L84 PolarHBondContact O-N 3.18Å; L84-L86 HydrophobicContact CB-CG 4.13Å; L84-L86 PolarHBondContact O-N 3.14Å |
| 85 | G | 95.6 | Very high | 96.9 | Very high | 32 Ų | 32 | 61.3 Ų | 61.3 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 70.5 | 10 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A87 Q88 K89 | G85-A87 PolarHBondContact O-N 3.06Å; G85-Q88 PolarHBondContact O-N 2.74Å; G85-K89 WeakPolarHBondContact O-CG 3.48Å; G85-K89 PolarHBondContact O-N 3.11Å; G85-K89 VanDerWaalsContact O-N 3.15Å |
| 86 | L | 97.6 | Very high | 96.9 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | -175.8 | -63.3 | 178.6 | 0 | 0 | 0 | 112.8 | M1 I3 A45 V53 V77 H81 L84 Q88 K89 L90 | M1-L86 HydrophobicContact CB-CD2 3.95Å; M1-L86 HydrophobicContact CG-CD1 4.47Å; M1-L86 HydrophobicContact CG-CD2 4.35Å; I3-L86 HydrophobicContact CD1-CD2 4.26Å; A45-L86 HydrophobicContact CB-CD1 4.34Å; A45-L86 HydrophobicContact CB-CD2 4.4Å; V53-L86 HydrophobicContact CG2-CD1 4.16Å; V77-L86 HydrophobicContact CG1-CB 4.44Å; V77-L86 HydrophobicContact CG1-CD1 4.09Å; V77-L86 HydrophobicContact CG2-CB 4.25Å; H81-L86 HydrophobicContact CB-CD1 4.12Å; L84-L86 HydrophobicContact CB-CG 4.13Å; L84-L86 PolarHBondContact O-N 3.14Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.03Å; L86-K89 PolarHBondContact O-N 3.11Å; L86-L90 WeakPolarHBondContact O-CB 3.37Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.31Å; L86-L90 PolarHBondContact O-N 2.8Å |
| 87 | A | 97.3 | Very high | 97 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | L75 V77 G85 M91 L121 | L75-A87 HydrophobicContact CD2-CB 4.26Å; V77-A87 HydrophobicContact CG2-CB 4.1Å; G85-A87 PolarHBondContact O-N 3.06Å; A87-M91 WeakPolarHBondContact O-CB 3.31Å; A87-M91 WeakPolarHBondContact O-CG 3.4Å; A87-M91 PolarHBondContact O-N 2.96Å; A87-L121 HydrophobicContact CB-CD1 4.22Å; A87-L121 HydrophobicContact CB-CD2 3.71Å |
| 88 | Q | 96.9 | Very high | 97 | Very high | 76 Ų | 76 | 64.1 Ų | 64.1 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -50.2 | 175.8 | 175.7 | 179.1 | 1.2 | 0 | 0 | 111.2 | G85 L86 L90 M91 D92 T125 L126 | G85-Q88 PolarHBondContact O-N 2.74Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.03Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.46Å; Q88-M91 PolarHBondContact O-N 3.07Å; Q88-M91 VanDerWaalsContact O-N 3.17Å; Q88-D92 PolarHBondContact O-N 3.33Å; Q88-T125 HydrophobicContact CB-CG2 4.36Å; Q88-T125 HydrophobicContact CG-CG2 4.28Å; Q88-T125 VanDerWaalsContact OE1-CG2 3.27Å; Q88-L126 HydrophobicContact CB-CD2 4.24Å; Q88-L126 HydrophobicContact CG-CD2 3.84Å |
| 89 | K | 98.1 | Very high | 97 | Very high | 116 Ų | 116 | 62.5 Ų | 62.5 | 50% | 0.504 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 180 | -67.8 | 177.2 | -178.8 | -179.7 | 0 | 112.6 | I3 G85 L86 D92 Q93 | I3-K89 HydrophobicContact CD1-CB 3.35Å; I3-K89 HydrophobicContact CD1-CD 3.78Å; I3-K89 HydrophobicContact CD1-CG 4.21Å; G85-K89 WeakPolarHBondContact O-CG 3.48Å; G85-K89 PolarHBondContact O-N 3.11Å; G85-K89 VanDerWaalsContact O-N 3.15Å; L86-K89 PolarHBondContact O-N 3.11Å; K89-D92 PolarHBondContact O-N 2.96Å; K89-Q93 WeakPolarHBondContact O-CG 3.35Å; K89-Q93 PolarHBondContact O-N 2.87Å; K89-Q93 VanDerWaalsContact O-N 3.11Å |
| 90 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 175.2 | -73.6 | 167.8 | 0 | 0 | 0 | 111.2 | I3 A45 V56 L75 L86 Q88 D92 Q93 A94 | I3-L90 HydrophobicContact CG2-CD2 4Å; A45-L90 HydrophobicContact CB-CD1 4.31Å; A45-L90 HydrophobicContact CB-CD2 4.41Å; V56-L90 HydrophobicContact CB-CB 4.18Å; V56-L90 HydrophobicContact CG1-CB 3.91Å; V56-L90 HydrophobicContact CG1-CD2 4.34Å; L75-L90 HydrophobicContact CD1-CB 4.36Å; L75-L90 HydrophobicContact CD1-CD1 4.48Å; L86-L90 WeakPolarHBondContact O-CB 3.37Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.31Å; L86-L90 PolarHBondContact O-N 2.8Å; Q88-L90 VanDerWaalsContact C-N 3.31Å; Q88-L90 PolarHBondContact O-N 3.46Å; L90-D92 VanDerWaalsContact C-N 3.35Å; L90-D92 PolarHBondContact O-N 3.26Å; L90-Q93 PolarHBondContact O-N 3.03Å; L90-A94 PolarHBondContact O-N 2.91Å |
| 91 | M | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 178.4 | -72.6 | -71.1 | -62.6 | 0 | 0 | 112.6 | V56 I72 L75 A87 Q88 A94 S95 L109 Y122 L126 F128 | V56-M91 HydrophobicContact CG2-SD 4.08Å; I72-M91 HydrophobicContact CD1-CE 3.92Å; I72-M91 HydrophobicContact CD1-SD 3.79Å; I72-M91 HydrophobicContact CG1-CE 3.65Å; I72-M91 HydrophobicContact CG1-SD 3.88Å; I72-M91 HydrophobicContact CG2-SD 4.13Å; L75-M91 HydrophobicContact CD1-CG 4.2Å; L75-M91 HydrophobicContact CD1-SD 4.3Å; L75-M91 HydrophobicContact CD2-CG 3.82Å; L75-M91 HydrophobicContact CD2-SD 3.92Å; A87-M91 WeakPolarHBondContact O-CB 3.31Å; A87-M91 WeakPolarHBondContact O-CG 3.4Å; A87-M91 PolarHBondContact O-N 2.96Å; Q88-M91 PolarHBondContact O-N 3.07Å; Q88-M91 VanDerWaalsContact O-N 3.17Å; M91-A94 PolarHBondContact O-N 3.37Å; M91-S95 VanDerWaalsContact O-CB 3.27Å; M91-S95 WeakPolarHBondContact O-CB 3.36Å; M91-S95 PolarHBondContact O-N 3.47Å; M91-S95 PolarHBondContact O-OG 3.44Å; M91-L109 HydrophobicContact CE-CD2 4.45Å; M91-Y122 HydrophobicContact CE-CE1 4.47Å; M91-L126 HydrophobicContact CB-CD1 3.95Å; M91-L126 HydrophobicContact CB-CD2 4.13Å; M91-L126 HydrophobicContact CE-CD1 4.27Å; M91-L126 HydrophobicContact CG-CD1 3.75Å; M91-F128 HydrophobicContact CE-CE2 3.69Å; M91-F128 HydrophobicContact CE-CZ 3.57Å |
| 92 | D | 98 | Very high | 97.3 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 178.2 | -69.8 | -26 | 0 | 0 | 0 | 111.7 | Q88 K89 L90 R96 R149 | Q88-D92 PolarHBondContact O-N 3.33Å; K89-D92 PolarHBondContact O-N 2.96Å; L90-D92 VanDerWaalsContact C-N 3.35Å; L90-D92 PolarHBondContact O-N 3.26Å; D92-R96 VanDerWaalsContact O-CB 3.3Å; D92-R96 WeakPolarHBondContact O-CB 3.45Å; D92-R96 PolarHBondContact O-N 2.84Å; D92-R149 IonicContact OD1-NH1 3.65Å; D92-R149 PolarHBondContact OD1-NH1 3.12Å; D92-R149 IonicContact OD1-NH2 3.4Å |
| 93 | Q | 98.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 174.2 | -69.4 | -60.2 | -37.1 | 0 | 0 | 112.2 | I3 Y43 K89 L90 S95 R96 A97 | I3-Q93 HydrophobicContact CG2-CG 4.27Å; Y43-Q93 HydrophobicContact CD1-CB 3.68Å; Y43-Q93 HydrophobicContact CD1-CG 4.19Å; Y43-Q93 HydrophobicContact CD2-CB 4.01Å; Y43-Q93 HydrophobicContact CE1-CB 3.67Å; Y43-Q93 HydrophobicContact CE1-CG 4.16Å; Y43-Q93 HydrophobicContact CE2-CB 3.99Å; Y43-Q93 HydrophobicContact CG-CB 3.89Å; K89-Q93 WeakPolarHBondContact O-CG 3.35Å; K89-Q93 PolarHBondContact O-N 2.87Å; K89-Q93 VanDerWaalsContact O-N 3.11Å; L90-Q93 PolarHBondContact O-N 3.03Å; Q93-S95 PolarHBondContact O-N 3.45Å; Q93-R96 PolarHBondContact O-N 2.72Å; Q93-A97 WeakPolarHBondContact O-CB 3.46Å; Q93-A97 PolarHBondContact O-N 2.87Å |
| 94 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L41 Y43 V56 L90 M91 R96 A97 M98 | L41-A94 WeakPolarHBondContact O-CB 3.27Å; Y43-A94 HydrophobicContact CD2-CB 4.45Å; V56-A94 HydrophobicContact CG1-CB 4.04Å; V56-A94 HydrophobicContact CG2-CB 4.35Å; L90-A94 PolarHBondContact O-N 2.91Å; M91-A94 PolarHBondContact O-N 3.37Å; A94-R96 PolarHBondContact O-N 3.02Å; A94-A97 PolarHBondContact O-N 3.48Å; A94-M98 VanDerWaalsContact O-CG 3.28Å; A94-M98 WeakPolarHBondContact O-CG 3.28Å; A94-M98 PolarHBondContact O-N 2.88Å |
| 95 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 179.1 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | M91 Q93 A97 M98 I99 R149 | M91-S95 VanDerWaalsContact O-CB 3.27Å; M91-S95 WeakPolarHBondContact O-CB 3.36Å; M91-S95 PolarHBondContact O-N 3.47Å; M91-S95 PolarHBondContact O-OG 3.44Å; Q93-S95 PolarHBondContact O-N 3.45Å; S95-A97 VanDerWaalsContact C-N 3.34Å; S95-A97 PolarHBondContact O-N 2.86Å; S95-M98 WeakPolarHBondContact O-CB 3.48Å; S95-M98 PolarHBondContact O-N 3.12Å; S95-I99 WeakPolarHBondContact O-CG1 3.45Å; S95-I99 PolarHBondContact O-N 3.49Å; S95-I99 VanDerWaalsContact O-N 3.14Å; S95-R149 PolarHBondContact OG-NH2 3.38Å |
| 96 | R | 98.4 | Very high | 97.9 | Very high | 97 Ų | 97 | 43 Ų | 43 | 37% | 0.366 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.8 | -46 | 174.5 | 177.3 | 177.1 | -179.8 | 146.2 | 13.5 | 111.1 | D92 Q93 A94 M98 I99 E100 L158 | D92-R96 VanDerWaalsContact O-CB 3.3Å; D92-R96 WeakPolarHBondContact O-CB 3.45Å; D92-R96 PolarHBondContact O-N 2.84Å; Q93-R96 PolarHBondContact O-N 2.72Å; A94-R96 PolarHBondContact O-N 3.02Å; R96-M98 VanDerWaalsContact C-N 3.32Å; R96-M98 PolarHBondContact O-N 3.47Å; R96-I99 PolarHBondContact O-N 3.14Å; R96-E100 HydrophobicContact CG-CG 4.31Å; R96-E100 IonicContact CZ-OE1 2.99Å; R96-E100 VanDerWaalsContact CZ-OE1 3.28Å; R96-E100 IonicContact NE-OE1 3.52Å; R96-E100 PolarHBondContact NE-OE1 3.49Å; R96-E100 IonicContact NE-OE2 2.63Å; R96-E100 IonicContact NH2-OE1 3.76Å; R96-E100 PolarHBondContact NH2-OE1 2.99Å; R96-E100 WeakPolarHBondContact O-CG 3.49Å; R96-E100 PolarHBondContact O-N 3.31Å; R96-L158 HydrophobicContact CG-CD1 4Å; R96-L158 HydrophobicContact CG-CD2 4.29Å |
| 97 | A | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q40 L41 Y43 Q93 A94 S95 I99 E100 N101 | Q40-A97 VanDerWaalsContact O-CB 3.31Å; Q40-A97 WeakPolarHBondContact O-CB 3.46Å; L41-A97 HydrophobicContact CD2-CB 3.74Å; Y43-A97 HydrophobicContact CE2-CB 4.2Å; Q93-A97 WeakPolarHBondContact O-CB 3.46Å; Q93-A97 PolarHBondContact O-N 2.87Å; A94-A97 PolarHBondContact O-N 3.48Å; S95-A97 VanDerWaalsContact C-N 3.34Å; S95-A97 PolarHBondContact O-N 2.86Å; A97-I99 VanDerWaalsContact C-N 3.33Å; A97-I99 PolarHBondContact O-N 3.48Å; A97-E100 PolarHBondContact O-N 2.91Å; A97-N101 WeakPolarHBondContact O-CB 2.9Å; A97-N101 PolarHBondContact O-N 3.18Å; A97-N101 PolarHBondContact O-ND2 3.43Å |
| 98 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 173.8 | -69 | 167.2 | 176.5 | 0 | 0 | 111.9 | L41 A58 M60 I72 A94 S95 R96 F102 N103 A104 V107 | L41-M98 HydrophobicContact CD1-CG 4.1Å; L41-M98 HydrophobicContact CD2-CB 4.33Å; L41-M98 HydrophobicContact CD2-CG 3.75Å; L41-M98 HydrophobicContact CG-CG 4.5Å; A58-M98 HydrophobicContact CB-CE 3.61Å; M60-M98 HydrophobicContact SD-CB 4.35Å; M60-M98 HydrophobicContact SD-CG 4.24Å; I72-M98 HydrophobicContact CD1-CE 3.85Å; A94-M98 VanDerWaalsContact O-CG 3.28Å; A94-M98 WeakPolarHBondContact O-CG 3.28Å; A94-M98 PolarHBondContact O-N 2.88Å; S95-M98 WeakPolarHBondContact O-CB 3.48Å; S95-M98 PolarHBondContact O-N 3.12Å; R96-M98 VanDerWaalsContact C-N 3.32Å; R96-M98 PolarHBondContact O-N 3.47Å; M98-F102 CarbonylContact O-C 3.48Å; M98-F102 WeakPolarHBondContact O-CA 3.49Å; M98-F102 WeakPolarHBondContact O-CB 3.43Å; M98-F102 PolarHBondContact O-N 3.48Å; M98-F102 VanDerWaalsContact O-N 3.11Å; M98-N103 PolarHBondContact O-N 3.01Å; M98-A104 HydrophobicContact CB-CB 3.73Å; M98-A104 PolarHBondContact O-N 2.87Å; M98-V107 HydrophobicContact CE-CG2 3.98Å; M98-V107 HydrophobicContact SD-CB 4.03Å; M98-V107 HydrophobicContact SD-CG2 3.86Å |
| 99 | I | 98.1 | Very high | 98.1 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.3 | -52.8 | 177.5 | -62.4 | 162.3 | 0 | 0 | 0 | 110.3 | S95 R96 A97 N101 N103 L151 M154 A155 L158 | S95-I99 WeakPolarHBondContact O-CG1 3.45Å; S95-I99 PolarHBondContact O-N 3.49Å; S95-I99 VanDerWaalsContact O-N 3.14Å; R96-I99 PolarHBondContact O-N 3.14Å; A97-I99 VanDerWaalsContact C-N 3.33Å; A97-I99 PolarHBondContact O-N 3.48Å; I99-N101 PolarHBondContact O-N 3.2Å; I99-N103 VanDerWaalsContact O-CA 3.24Å; I99-N103 WeakPolarHBondContact O-CA 3.28Å; I99-N103 PolarHBondContact O-N 3.45Å; I99-L151 HydrophobicContact CD1-CB 3.98Å; I99-L151 HydrophobicContact CD1-CD1 4.42Å; I99-L151 HydrophobicContact CD1-CD2 4.44Å; I99-L151 HydrophobicContact CG1-CB 4.03Å; I99-L151 HydrophobicContact CG1-CD1 4.02Å; I99-M154 HydrophobicContact CD1-CB 3.84Å; I99-M154 HydrophobicContact CD1-CG 3.56Å; I99-M154 HydrophobicContact CD1-SD 3.71Å; I99-A155 HydrophobicContact CD1-CB 4.35Å; I99-A155 HydrophobicContact CG2-CB 3.65Å; I99-L158 HydrophobicContact CB-CD1 4.42Å; I99-L158 HydrophobicContact CD1-CD1 4.09Å; I99-L158 HydrophobicContact CG2-CD1 4.21Å |
| 100 | E | 97.7 | Very high | 98.1 | Very high | 107 Ų | 107 | 35.5 Ų | 35.5 | 50% | 0.5 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.1 | -36 | -171.2 | -72.1 | 176 | 166.2 | 0 | 0 | 112.7 | R96 A97 L158 | R96-E100 HydrophobicContact CG-CG 4.31Å; R96-E100 IonicContact CZ-OE1 2.99Å; R96-E100 VanDerWaalsContact CZ-OE1 3.28Å; R96-E100 IonicContact NE-OE1 3.52Å; R96-E100 PolarHBondContact NE-OE1 3.49Å; R96-E100 IonicContact NE-OE2 2.63Å; R96-E100 IonicContact NH2-OE1 3.76Å; R96-E100 PolarHBondContact NH2-OE1 2.99Å; R96-E100 WeakPolarHBondContact O-CG 3.49Å; R96-E100 PolarHBondContact O-N 3.31Å; A97-E100 PolarHBondContact O-N 2.91Å; E100-L158 HydrophobicContact CG-CD1 4.47Å |
| 101 | N | 97.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 35.8 Ų | 35.8 | 42% | 0.422 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -97.6 | -28.3 | -174.7 | -62.9 | -88 | 0 | 0 | 0 | 113.3 | A97 I99 | A97-N101 WeakPolarHBondContact O-CB 2.9Å; A97-N101 PolarHBondContact O-N 3.18Å; A97-N101 PolarHBondContact O-ND2 3.43Å; I99-N101 PolarHBondContact O-N 3.2Å |
| 102 | F | 96.9 | Very high | 98 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -131.6 | 4.3 | -170.3 | -51.6 | -78.1 | 0 | 0 | 0 | 113.9 | W38 L41 M60 M98 A104 | W38-F102 AromaticContact CD1-CZ 3.74Å; L41-F102 HydrophobicContact CD1-CD2 4.14Å; L41-F102 HydrophobicContact CD1-CE2 3.89Å; L41-F102 HydrophobicContact CD2-CD2 3.93Å; L41-F102 HydrophobicContact CD2-CE2 3.68Å; L41-F102 HydrophobicContact CG-CD2 4.34Å; L41-F102 HydrophobicContact CG-CE2 3.79Å; M60-F102 HydrophobicContact CE-CB 3.65Å; M60-F102 HydrophobicContact CE-CG 4.42Å; M60-F102 HydrophobicContact CG-CB 3.94Å; M60-F102 HydrophobicContact CG-CD1 4.08Å; M60-F102 HydrophobicContact CG-CD2 3.8Å; M60-F102 HydrophobicContact CG-CE2 4.35Å; M60-F102 HydrophobicContact CG-CG 3.66Å; M60-F102 HydrophobicContact SD-CB 3.69Å; M60-F102 HydrophobicContact SD-CD2 3.93Å; M60-F102 HydrophobicContact SD-CG 3.93Å; M98-F102 CarbonylContact O-C 3.48Å; M98-F102 WeakPolarHBondContact O-CA 3.49Å; M98-F102 WeakPolarHBondContact O-CB 3.43Å; M98-F102 PolarHBondContact O-N 3.48Å; M98-F102 VanDerWaalsContact O-N 3.11Å; F102-A104 PolarHBondContact O-N 2.94Å; F102-A104 VanDerWaalsContact O-N 3.15Å |
| 103 | N | 96.1 | Very high | 98 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 44% | 0.439 | 18% | 0.178 | S | C | . | . | trans | 55 | 32.5 | 178.1 | -156.4 | 41.2 | 0 | 0 | 0 | 113.6 | M98 I99 K105 | M98-N103 PolarHBondContact O-N 3.01Å; I99-N103 VanDerWaalsContact O-CA 3.24Å; I99-N103 WeakPolarHBondContact O-CA 3.28Å; I99-N103 PolarHBondContact O-N 3.45Å; N103-K105 PolarHBondContact ND2-NZ 3.42Å; N103-K105 VanDerWaalsContact ND2-NZ 3.2Å; N103-K105 PolarHBondContact O-NZ 3.18Å | ||
| 104 | A | 97.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | trans | -56 | 134.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M60 P68 M98 F102 L151 | M60-A104 HydrophobicContact CE-CB 3.9Å; M60-A104 HydrophobicContact SD-CB 4.35Å; P68-A104 CarbonylContact O-C 3.57Å; P68-A104 WeakPolarHBondContact O-CA 3.35Å; M98-A104 HydrophobicContact CB-CB 3.73Å; M98-A104 PolarHBondContact O-N 2.87Å; F102-A104 PolarHBondContact O-N 2.94Å; F102-A104 VanDerWaalsContact O-N 3.15Å; A104-L151 HydrophobicContact CB-CD1 4.15Å | ||
| 105 | K | 97.6 | Very high | 97.8 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 32% | 0.317 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -86.8 | -34.7 | -179.8 | -56.8 | -50.6 | 177 | -156.5 | 0 | 112.9 | V67 P68 N103 L151 | V67-K105 HydrophobicContact CB-CG 4.17Å; V67-K105 HydrophobicContact CG2-CB 4.25Å; V67-K105 HydrophobicContact CG2-CG 4.26Å; P68-K105 PolarHBondContact O-N 3.21Å; N103-K105 PolarHBondContact ND2-NZ 3.42Å; N103-K105 VanDerWaalsContact ND2-NZ 3.2Å; N103-K105 PolarHBondContact O-NZ 3.18Å; K105-L151 WeakPolarHBondContact O-CB 3.36Å; K105-L151 PolarHBondContact O-N 2.81Å |
| 106 | Y | 98.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 13% | 0.129 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 172.3 | 176.3 | 66 | -90.8 | 0 | 0 | 0 | 110 | V67 H69 G70 K148 R149 | V67-Y106 HydrophobicContact CG2-CD1 4.12Å; V67-Y106 HydrophobicContact CG2-CE1 3.6Å; H69-Y106 WeakPolarHBondContact CA-O 3.32Å; H69-Y106 HydrophobicContact CB-CD1 3.74Å; H69-Y106 HydrophobicContact CB-CD2 3.8Å; H69-Y106 HydrophobicContact CB-CE1 3.59Å; H69-Y106 HydrophobicContact CB-CE2 3.65Å; H69-Y106 HydrophobicContact CB-CG 3.85Å; H69-Y106 WeakPolarHBondContact CB-O 3.22Å; H69-Y106 AromaticContact CD2-CE2 3.36Å; H69-Y106 WeakPolarHBondContact CD2-CE2 3.43Å; H69-Y106 AromaticContact CD2-CZ 3.53Å; H69-Y106 AromaticContact CE1-CZ 3.94Å; H69-Y106 PolarHBondContact CE1-OH 3.32Å; H69-Y106 AromaticContact CG-CE1 3.8Å; H69-Y106 AromaticContact CG-CE2 3.53Å; H69-Y106 AromaticContact CG-CZ 3.32Å; H69-Y106 AromaticContact ND1-CZ 3.61Å; H69-Y106 PolarHBondContact ND1-OH 3.3Å; H69-Y106 AromaticContact NE2-CE2 3.96Å; H69-Y106 AromaticContact NE2-CZ 3.88Å; H69-Y106 PolarHBondContact NE2-OH 3.08Å; G70-Y106 PolarHBondContact N-O 3.16Å; Y106-K148 HydrophobicContact CD2-CB 4.28Å; Y106-K148 HydrophobicContact CD2-CD 4.03Å; Y106-K148 HydrophobicContact CD2-CG 4.12Å; Y106-K148 HydrophobicContact CE2-CD 3.7Å; Y106-K148 HydrophobicContact CE2-CG 4.1Å; Y106-K148 PolarHBondContact OH-NZ 3.28Å; Y106-R149 CarbonylContact C-O 3.56Å; Y106-R149 WeakPolarHBondContact CA-O 3.42Å; Y106-R149 VanDerWaalsContact CB-O 3.25Å; Y106-R149 WeakPolarHBondContact CB-O 3.45Å |
| 107 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.3 | 169.3 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | G70 I72 M98 F128 K148 R149 L151 | G70-V107 CarbonylContact O-C 3.54Å; G70-V107 VanDerWaalsContact O-CA 3.28Å; G70-V107 WeakPolarHBondContact O-CA 3.41Å; I72-V107 HydrophobicContact CD1-CG2 3.85Å; I72-V107 HydrophobicContact CG1-CG2 3.68Å; M98-V107 HydrophobicContact CE-CG2 3.98Å; M98-V107 HydrophobicContact SD-CB 4.03Å; M98-V107 HydrophobicContact SD-CG2 3.86Å; V107-F128 HydrophobicContact CG1-CE1 3.98Å; V107-F128 HydrophobicContact CG1-CZ 3.6Å; V107-F128 HydrophobicContact CG2-CZ 4.44Å; V107-F128 WeakPolarHBondContact O-CE1 3.46Å; V107-K148 CarbonylContact O-C 3.35Å; V107-K148 WeakPolarHBondContact O-CA 3.11Å; V107-R149 HydrophobicContact CG1-CB 3.83Å; V107-R149 PolarHBondContact N-O 2.95Å; V107-R149 PolarHBondContact O-N 3.45Å; V107-L151 HydrophobicContact CB-CD1 4.26Å; V107-L151 HydrophobicContact CG1-CD1 4.38Å; V107-L151 HydrophobicContact CG1-CD2 4.16Å; V107-L151 HydrophobicContact CG1-CG 4.35Å |
| 108 | S | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 51 Ų | 51 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 158.4 | 179 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | G70 H71 I72 M147 | G70-S108 PolarHBondContact O-N 3.41Å; G70-S108 PolarHBondContact O-OG 3.21Å; H71-S108 WeakPolarHBondContact CA-O 3.4Å; H71-S108 PolarHBondContact ND1-OG 3.27Å; H71-S108 VanDerWaalsContact ND1-OG 3.1Å; I72-S108 PolarHBondContact N-O 2.99Å; S108-M147 CarbonylContact C-O 3.55Å; S108-M147 VanDerWaalsContact CA-O 3.23Å; S108-M147 WeakPolarHBondContact CA-O 3.46Å |
| 109 | L | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 164.6 | 171.4 | 62.3 | 84.1 | 0 | 0 | 0 | 111.3 | I72 M91 V111 Y122 F128 A146 M147 | I72-L109 HydrophobicContact CB-CB 4.01Å; I72-L109 HydrophobicContact CB-CD2 4.49Å; I72-L109 HydrophobicContact CG1-CD2 4.46Å; M91-L109 HydrophobicContact CE-CD2 4.45Å; L109-V111 HydrophobicContact CD1-CB 4.16Å; L109-V111 HydrophobicContact CD1-CG1 4.28Å; L109-Y122 HydrophobicContact CD1-CD2 3.84Å; L109-Y122 HydrophobicContact CD1-CE2 3.84Å; L109-Y122 HydrophobicContact CD1-CG 4.26Å; L109-Y122 HydrophobicContact CD2-CD1 3.56Å; L109-Y122 HydrophobicContact CD2-CD2 4.19Å; L109-Y122 HydrophobicContact CD2-CE1 3.45Å; L109-Y122 VanDerWaalsContact CD2-CE1 3.45Å; L109-Y122 HydrophobicContact CD2-CE2 4.06Å; L109-Y122 HydrophobicContact CD2-CG 3.96Å; L109-F128 HydrophobicContact CD2-CD1 3.92Å; L109-F128 HydrophobicContact CD2-CE1 3.49Å; L109-F128 VanDerWaalsContact CD2-CE1 3.49Å; L109-F128 HydrophobicContact CD2-CE2 4.3Å; L109-F128 HydrophobicContact CD2-CG 4.49Å; L109-F128 HydrophobicContact CD2-CZ 3.7Å; L109-F128 HydrophobicContact CG-CD1 4.1Å; L109-F128 HydrophobicContact CG-CE1 3.87Å; L109-A146 WeakPolarHBondContact O-CA 3.49Å; L109-M147 HydrophobicContact CD1-CB 3.91Å; L109-M147 HydrophobicContact CD1-CG 4.17Å; L109-M147 HydrophobicContact CD1-SD 4.17Å; L109-M147 HydrophobicContact CG-CB 4.24Å; L109-M147 PolarHBondContact N-O 2.95Å; L109-M147 PolarHBondContact O-N 2.88Å |
| 110 | H | 98.4 | Very high | 97 | Very high | 46 Ų | 46 | 56.8 Ų | 56.8 | 21% | 0.213 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.9 | 170.5 | -65.2 | 81.5 | 0 | 0 | 0 | 110.9 | H71 E134 Y137 A144 Y145 | H71-H110 AromaticContact CE1-ND1 3.53Å; H110-E134 IonicContact CD2-OE1 2.78Å; H110-E134 IonicContact CD2-OE2 2.74Å; H110-E134 PolarHBondContact CD2-OE2 3.44Å; H110-E134 VanDerWaalsContact CD2-OE2 3.23Å; H110-E134 IonicContact CE1-OE1 3.24Å; H110-E134 IonicContact NE2-OE1 3.67Å; H110-E134 PolarHBondContact NE2-OE1 3.03Å; H110-E134 IonicContact NE2-OE2 3.22Å; H110-E134 PolarHBondContact NE2-OE2 3.36Å; H110-Y137 HydrophobicContact CB-CE1 3.96Å; H110-Y137 AromaticContact CD2-CE2 3.74Å; H110-Y137 AromaticContact CD2-CZ 3.76Å; H110-Y137 AromaticContact CG-CZ 3.72Å; H110-Y137 AromaticContact NE2-CE2 3.85Å; H110-A144 HydrophobicContact CB-CB 4.3Å; H110-Y145 WeakPolarHBondContact CA-O 3.31Å |
| 111 | V | 98.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 135.4 | 176.3 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | L109 K113 N115 A118 L119 Y122 Y138 A144 Y145 M147 | L109-V111 HydrophobicContact CD1-CB 4.16Å; L109-V111 HydrophobicContact CD1-CG1 4.28Å; V111-K113 PolarHBondContact O-N 3.16Å; V111-N115 HydrophobicContact CG2-CB 4.26Å; V111-A118 HydrophobicContact CG2-CB 3.72Å; V111-L119 HydrophobicContact CG1-CD2 3.69Å; V111-L119 HydrophobicContact CG2-CD2 4.47Å; V111-Y122 HydrophobicContact CB-CD2 4.34Å; V111-Y122 HydrophobicContact CB-CE2 4.3Å; V111-Y122 HydrophobicContact CG2-CD2 4.3Å; V111-Y122 HydrophobicContact CG2-CE2 4.22Å; V111-Y138 WeakPolarHBondContact CA-OH 3.48Å; V111-A144 WeakPolarHBondContact O-CA 3.36Å; V111-Y145 PolarHBondContact N-O 3Å; V111-Y145 PolarHBondContact O-N 2.86Å; V111-M147 HydrophobicContact CG1-CG 4.06Å; V111-M147 HydrophobicContact CG1-SD 3.55Å; V111-M147 VanDerWaalsContact CG1-SD 3.55Å |
| 112 | R | 98.1 | Very high | 96.9 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 133.9 | 171.5 | -74.5 | 179.3 | 175.7 | -87.9 | -0.8 | 111.4 | E24 S114 N115 Y138 D140 E142 | E24-R112 IonicContact OE1-CZ 2.71Å; E24-R112 IonicContact OE1-NE 2.63Å; E24-R112 PolarHBondContact OE1-NE 3.39Å; E24-R112 IonicContact OE1-NH2 3.32Å; E24-R112 PolarHBondContact OE1-NH2 2.95Å; R112-S114 PolarHBondContact O-N 2.74Å; R112-N115 HydrophobicContact CB-CB 4.05Å; R112-N115 PolarHBondContact O-N 2.85Å; R112-N115 VanDerWaalsContact O-N 3.07Å; R112-Y138 HydrophobicContact CB-CE2 4.07Å; R112-Y138 HydrophobicContact CG-CD1 4.4Å; R112-Y138 HydrophobicContact CG-CD2 3.64Å; R112-Y138 HydrophobicContact CG-CE1 4.07Å; R112-Y138 HydrophobicContact CG-CE2 3.24Å; R112-Y138 HydrophobicContact CG-CG 4.21Å; R112-Y138 VanDerWaalsContact CG-CZ 3.49Å; R112-Y138 PolarHBondContact N-OH 3Å; R112-D140 IonicContact CZ-OD1 3.45Å; R112-D140 IonicContact CZ-OD2 3.67Å; R112-D140 VanDerWaalsContact NH1-CG 3.28Å; R112-D140 IonicContact NH1-OD1 2.76Å; R112-D140 PolarHBondContact NH1-OD1 3.4Å; R112-D140 IonicContact NH1-OD2 3.28Å; R112-D140 PolarHBondContact NH1-OD2 3.09Å; R112-D140 IonicContact NH2-OD1 3.92Å; R112-D140 PolarHBondContact NH2-OD1 2.92Å; R112-D140 IonicContact NH2-OD2 3.62Å; R112-E142 WeakPolarHBondContact CD-OE2 3.47Å; R112-E142 IonicContact CZ-OE2 2.83Å; R112-E142 IonicContact NE-OE2 3.31Å; R112-E142 IonicContact NH1-OE2 2.91Å; R112-E142 PolarHBondContact NH1-OE2 3.16Å |
| 113 | K | 96.8 | Very high | 96.8 | Very high | 69 Ų | 69 | 49.7 Ų | 49.7 | 30% | 0.3 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34 | 175.9 | -69.9 | -166.6 | 175 | 162.4 | 0 | 112.7 | V111 N115 L119 V133 E142 D143 Y145 | V111-K113 PolarHBondContact O-N 3.16Å; K113-N115 VanDerWaalsContact C-N 3.33Å; K113-L119 WeakPolarHBondContact O-CD1 3.42Å; K113-V133 VanDerWaalsContact CE-CG1 3.44Å; K113-E142 PolarHBondContact N-OE1 3.11Å; K113-D143 HydrophobicContact CD-CB 3.8Å; K113-D143 VanDerWaalsContact CE-CB 3.5Å; K113-D143 HydrophobicContact CG-CB 4.16Å; K113-D143 PolarHBondContact N-O 3.48Å; K113-D143 IonicContact NZ-OD2 3.71Å; K113-D143 PolarHBondContact NZ-OD2 3.24Å; K113-Y145 HydrophobicContact CB-CD2 4.42Å; K113-Y145 HydrophobicContact CB-CE2 4.01Å; K113-Y145 HydrophobicContact CD-CE2 4.25Å; K113-Y145 HydrophobicContact CG-CD2 3.84Å; K113-Y145 HydrophobicContact CG-CE1 4.43Å; K113-Y145 HydrophobicContact CG-CE2 3.56Å; K113-Y145 HydrophobicContact CG-CG 4.42Å |
| 114 | S | 97.1 | Very high | 96.7 | Very high | 77 Ų | 77 | 51 Ų | 51 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.4 | 179.4 | 63.3 | 0 | 0 | 0 | 0 | 114.2 | R112 R116 E142 | R112-S114 PolarHBondContact O-N 2.74Å; S114-R116 PolarHBondContact O-N 2.78Å; S114-E142 WeakPolarHBondContact CB-OE1 3.49Å; S114-E142 PolarHBondContact N-OE1 3.44Å; S114-E142 PolarHBondContact OG-OE1 2.98Å; S114-E142 PolarHBondContact OG-OE2 2.71Å |
| 115 | N | 96.4 | Very high | 96.6 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | trans | -81.8 | 75.9 | -172.9 | -169.1 | -13.4 | 0 | 0 | 0 | 112.7 | V111 R112 K113 A117 A118 L119 | V111-N115 HydrophobicContact CG2-CB 4.26Å; R112-N115 HydrophobicContact CB-CB 4.05Å; R112-N115 PolarHBondContact O-N 2.85Å; R112-N115 VanDerWaalsContact O-N 3.07Å; K113-N115 VanDerWaalsContact C-N 3.33Å; N115-A117 PolarHBondContact O-N 3.34Å; N115-A118 HydrophobicContact CB-CB 4.24Å; N115-A118 VanDerWaalsContact CG-CB 3.43Å; N115-A118 WeakPolarHBondContact ND2-CB 3.37Å; N115-A118 PolarHBondContact O-N 2.95Å; N115-A118 WeakPolarHBondContact OD1-CB 3.14Å; N115-A118 PolarHBondContact OD1-N 2.9Å; N115-A118 VanDerWaalsContact OD1-N 3.11Å; N115-L119 WeakPolarHBondContact O-CG 3.39Å; N115-L119 PolarHBondContact O-N 3.42Å | ||
| 116 | R | 95.3 | Very high | 96.5 | Very high | 218 Ų | 218 | 49.9 Ų | 49.9 | 82% | 0.823 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -56.7 | -34.3 | -178.6 | -65 | -175.3 | 175.8 | -175.1 | -1.4 | 114.1 | S114 H120 | S114-R116 PolarHBondContact O-N 2.78Å; R116-H120 WeakPolarHBondContact O-CB 3.23Å; R116-H120 PolarHBondContact O-N 3.45Å; R116-H120 VanDerWaalsContact O-N 3.07Å |
| 117 | A | 92.8 | Very high | 96.4 | Very high | 69 Ų | 69 | 53.9 Ų | 53.9 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -69.9 | -44.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N115 L121 | N115-A117 PolarHBondContact O-N 3.34Å; A117-L121 PolarHBondContact O-N 3.23Å |
| 118 | A | 94.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 12% | 0.116 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.2 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V111 N115 H120 L121 Y122 | V111-A118 HydrophobicContact CG2-CB 3.72Å; N115-A118 HydrophobicContact CB-CB 4.24Å; N115-A118 VanDerWaalsContact CG-CB 3.43Å; N115-A118 WeakPolarHBondContact ND2-CB 3.37Å; N115-A118 PolarHBondContact O-N 2.95Å; N115-A118 WeakPolarHBondContact OD1-CB 3.14Å; N115-A118 PolarHBondContact OD1-N 2.9Å; N115-A118 VanDerWaalsContact OD1-N 3.11Å; A118-H120 VanDerWaalsContact C-N 3.31Å; A118-H120 PolarHBondContact O-N 3.4Å; A118-L121 WeakPolarHBondContact O-CB 3.21Å; A118-L121 PolarHBondContact O-N 3.29Å; A118-L121 VanDerWaalsContact O-N 3.12Å; A118-Y122 HydrophobicContact CB-CD2 4.14Å; A118-Y122 HydrophobicContact CB-CE2 3.86Å; A118-Y122 WeakPolarHBondContact O-CD2 3.28Å; A118-Y122 PolarHBondContact O-N 3.22Å |
| 119 | L | 96.7 | Very high | 96.4 | Very high | 32 Ų | 32 | 60.7 Ų | 60.7 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 175.5 | -73.1 | 170.2 | 0 | 0 | 0 | 112.1 | V111 K113 N115 L121 Y122 S123 Y145 M147 | V111-L119 HydrophobicContact CG1-CD2 3.69Å; V111-L119 HydrophobicContact CG2-CD2 4.47Å; K113-L119 WeakPolarHBondContact O-CD1 3.42Å; N115-L119 WeakPolarHBondContact O-CG 3.39Å; N115-L119 PolarHBondContact O-N 3.42Å; L119-L121 PolarHBondContact O-N 3.14Å; L119-Y122 PolarHBondContact O-N 3.48Å; L119-S123 VanDerWaalsContact O-CB 3.31Å; L119-S123 WeakPolarHBondContact O-CB 3.45Å; L119-S123 PolarHBondContact O-N 3.45Å; L119-S123 PolarHBondContact O-OG 2.68Å; L119-Y145 HydrophobicContact CD1-CE2 4.49Å; L119-Y145 HydrophobicContact CD2-CD2 3.85Å; L119-Y145 HydrophobicContact CD2-CE2 4.38Å; L119-M147 HydrophobicContact CD2-SD 4.35Å |
| 120 | H | 95.7 | Very high | 96.4 | Very high | 104 Ų | 104 | 64.6 Ų | 64.6 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -63 | -42.8 | 175.5 | -177.1 | 65.1 | 0 | 0 | 0 | 112.5 | R116 A118 N124 T125 | R116-H120 WeakPolarHBondContact O-CB 3.23Å; R116-H120 PolarHBondContact O-N 3.45Å; R116-H120 VanDerWaalsContact O-N 3.07Å; A118-H120 VanDerWaalsContact C-N 3.31Å; A118-H120 PolarHBondContact O-N 3.4Å; H120-N124 PolarHBondContact ND1-OD1 3.19Å; H120-N124 VanDerWaalsContact O-CB 3.25Å; H120-N124 WeakPolarHBondContact O-CB 3.34Å; H120-N124 PolarHBondContact O-N 2.85Å; H120-T125 PolarHBondContact O-N 3.31Å |
| 121 | L | 94.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 65.4 Ų | 65.4 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -60 | -53.4 | 175.9 | 172.8 | 68.1 | 0 | 0 | 0 | 111.1 | L75 A87 A117 A118 L119 T125 L126 | L75-L121 HydrophobicContact CD2-CD2 4.03Å; A87-L121 HydrophobicContact CB-CD1 4.22Å; A87-L121 HydrophobicContact CB-CD2 3.71Å; A117-L121 PolarHBondContact O-N 3.23Å; A118-L121 WeakPolarHBondContact O-CB 3.21Å; A118-L121 PolarHBondContact O-N 3.29Å; A118-L121 VanDerWaalsContact O-N 3.12Å; L119-L121 PolarHBondContact O-N 3.14Å; L121-T125 HydrophobicContact CD1-CG2 4.47Å; L121-T125 VanDerWaalsContact O-CB 3.26Å; L121-T125 WeakPolarHBondContact O-CB 3.47Å; L121-T125 PolarHBondContact O-N 2.84Å; L121-L126 HydrophobicContact CD1-CD1 4.09Å; L121-L126 HydrophobicContact CD1-CG 4.4Å; L121-L126 HydrophobicContact CG-CD1 3.98Å; L121-L126 PolarHBondContact O-N 3.04Å |
| 122 | Y | 97.6 | Very high | 96.2 | Very high | 21 Ų | 21 | 69.9 Ų | 69.9 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | I | π-helix | trans | -68.7 | -49.7 | -174.3 | -63.8 | -47.4 | 0 | 0 | 0 | 111.7 | L75 M91 L109 V111 A118 L119 L126 N127 F128 M147 | L75-Y122 HydrophobicContact CD2-CE1 3.84Å; L75-Y122 WeakPolarHBondContact CD2-OH 3.33Å; M91-Y122 HydrophobicContact CE-CE1 4.47Å; L109-Y122 HydrophobicContact CD1-CD2 3.84Å; L109-Y122 HydrophobicContact CD1-CE2 3.84Å; L109-Y122 HydrophobicContact CD1-CG 4.26Å; L109-Y122 HydrophobicContact CD2-CD1 3.56Å; L109-Y122 HydrophobicContact CD2-CD2 4.19Å; L109-Y122 HydrophobicContact CD2-CE1 3.45Å; L109-Y122 VanDerWaalsContact CD2-CE1 3.45Å; L109-Y122 HydrophobicContact CD2-CE2 4.06Å; L109-Y122 HydrophobicContact CD2-CG 3.96Å; V111-Y122 HydrophobicContact CB-CD2 4.34Å; V111-Y122 HydrophobicContact CB-CE2 4.3Å; V111-Y122 HydrophobicContact CG2-CD2 4.3Å; V111-Y122 HydrophobicContact CG2-CE2 4.22Å; A118-Y122 HydrophobicContact CB-CD2 4.14Å; A118-Y122 HydrophobicContact CB-CE2 3.86Å; A118-Y122 WeakPolarHBondContact O-CD2 3.28Å; A118-Y122 PolarHBondContact O-N 3.22Å; L119-Y122 PolarHBondContact O-N 3.48Å; Y122-L126 HydrophobicContact CD1-CD1 3.97Å; Y122-L126 HydrophobicContact CE1-CD1 4.38Å; Y122-L126 CarbonylContact O-C 3.57Å; Y122-L126 PolarHBondContact O-N 3.09Å; Y122-N127 PolarHBondContact O-N 2.94Å; Y122-N127 VanDerWaalsContact O-N 3.12Å; Y122-F128 HydrophobicContact CD1-CD2 4.37Å; Y122-F128 HydrophobicContact CD1-CE2 4.46Å; Y122-F128 WeakPolarHBondContact O-CB 3.25Å; Y122-F128 PolarHBondContact O-N 3.23Å; Y122-M147 HydrophobicContact CD2-SD 4.39Å |
| 123 | S | 96.1 | Very high | 96.2 | Very high | 44 Ų | 44 | 71.3 Ų | 71.3 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | I | π-helix | trans | -74.1 | -52.9 | -177.9 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | L119 N127 M147 | L119-S123 VanDerWaalsContact O-CB 3.31Å; L119-S123 WeakPolarHBondContact O-CB 3.45Å; L119-S123 PolarHBondContact O-N 3.45Å; L119-S123 PolarHBondContact O-OG 2.68Å; S123-N127 WeakPolarHBondContact O-CA 3.35Å; S123-N127 PolarHBondContact O-N 3.48Å; S123-M147 WeakPolarHBondContact OG-CE 3.32Å |
| 124 | N | 94.6 | Very high | 96.3 | Very high | 110 Ų | 110 | 70.3 Ų | 70.3 | 59% | 0.588 | 37% | 0.374 | S | S | * | . | I | π-helix | trans | -84.4 | -34.9 | -169.7 | -61.7 | 81 | 0 | 0 | 0 | 113.4 | H120 | H120-N124 PolarHBondContact ND1-OD1 3.19Å; H120-N124 VanDerWaalsContact O-CB 3.25Å; H120-N124 WeakPolarHBondContact O-CB 3.34Å; H120-N124 PolarHBondContact O-N 2.85Å |
| 125 | T | 94.1 | Very high | 96.3 | Very high | 50 Ų | 50 | 71.4 Ų | 71.4 | 31% | 0.307 | 38% | 0.379 | S | S | . | . | I | π-helix | trans | -96.7 | -38.5 | -174.8 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | Q88 H120 L121 | Q88-T125 HydrophobicContact CB-CG2 4.36Å; Q88-T125 HydrophobicContact CG-CG2 4.28Å; Q88-T125 VanDerWaalsContact OE1-CG2 3.27Å; H120-T125 PolarHBondContact O-N 3.31Å; L121-T125 HydrophobicContact CD1-CG2 4.47Å; L121-T125 VanDerWaalsContact O-CB 3.26Å; L121-T125 WeakPolarHBondContact O-CB 3.47Å; L121-T125 PolarHBondContact O-N 2.84Å |
| 126 | L | 95.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 76.2 Ų | 76.2 | 2% | 0.016 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 3 | -174.2 | -66.8 | 172.8 | 0 | 0 | 0 | 113.5 | Q88 M91 L121 Y122 F128 R149 | Q88-L126 HydrophobicContact CB-CD2 4.24Å; Q88-L126 HydrophobicContact CG-CD2 3.84Å; M91-L126 HydrophobicContact CB-CD1 3.95Å; M91-L126 HydrophobicContact CB-CD2 4.13Å; M91-L126 HydrophobicContact CE-CD1 4.27Å; M91-L126 HydrophobicContact CG-CD1 3.75Å; L121-L126 HydrophobicContact CD1-CD1 4.09Å; L121-L126 HydrophobicContact CD1-CG 4.4Å; L121-L126 HydrophobicContact CG-CD1 3.98Å; L121-L126 PolarHBondContact O-N 3.04Å; Y122-L126 HydrophobicContact CD1-CD1 3.97Å; Y122-L126 HydrophobicContact CE1-CD1 4.38Å; Y122-L126 CarbonylContact O-C 3.57Å; Y122-L126 PolarHBondContact O-N 3.09Å; L126-F128 HydrophobicContact CB-CD2 3.69Å; L126-F128 HydrophobicContact CB-CE2 3.91Å; L126-F128 HydrophobicContact CD1-CE2 4.45Å; L126-F128 PolarHBondContact O-N 2.86Å; L126-R149 WeakPolarHBondContact O-CD 3.46Å |
| 127 | N | 96.9 | Very high | 96.4 | Very high | 117 Ų | 117 | 71 Ų | 71 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | trans | 56.6 | 31.4 | 175.2 | -60 | 87.8 | 0 | 0 | 0 | 114.4 | Y122 S123 | Y122-N127 PolarHBondContact O-N 2.94Å; Y122-N127 VanDerWaalsContact O-N 3.12Å; S123-N127 WeakPolarHBondContact O-CA 3.35Å; S123-N127 PolarHBondContact O-N 3.48Å | ||
| 128 | F | 98.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 69.2 Ų | 69.2 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | trans | -72.1 | 140.3 | 167.7 | -80.2 | -104.9 | 0 | 0 | 0 | 110.5 | M91 V107 L109 Y122 L126 M147 K148 R149 | M91-F128 HydrophobicContact CE-CE2 3.69Å; M91-F128 HydrophobicContact CE-CZ 3.57Å; V107-F128 HydrophobicContact CG1-CE1 3.98Å; V107-F128 HydrophobicContact CG1-CZ 3.6Å; V107-F128 HydrophobicContact CG2-CZ 4.44Å; V107-F128 WeakPolarHBondContact O-CE1 3.46Å; L109-F128 HydrophobicContact CD2-CD1 3.92Å; L109-F128 HydrophobicContact CD2-CE1 3.49Å; L109-F128 VanDerWaalsContact CD2-CE1 3.49Å; L109-F128 HydrophobicContact CD2-CE2 4.3Å; L109-F128 HydrophobicContact CD2-CG 4.49Å; L109-F128 HydrophobicContact CD2-CZ 3.7Å; L109-F128 HydrophobicContact CG-CD1 4.1Å; L109-F128 HydrophobicContact CG-CE1 3.87Å; Y122-F128 HydrophobicContact CD1-CD2 4.37Å; Y122-F128 HydrophobicContact CD1-CE2 4.46Å; Y122-F128 WeakPolarHBondContact O-CB 3.25Å; Y122-F128 PolarHBondContact O-N 3.23Å; L126-F128 HydrophobicContact CB-CD2 3.69Å; L126-F128 HydrophobicContact CB-CE2 3.91Å; L126-F128 HydrophobicContact CD1-CE2 4.45Å; L126-F128 PolarHBondContact O-N 2.86Å; F128-M147 HydrophobicContact CB-CB 4.13Å; F128-M147 HydrophobicContact CB-CE 3.67Å; F128-M147 HydrophobicContact CB-SD 4.42Å; F128-M147 HydrophobicContact CD1-CB 3.93Å; F128-M147 HydrophobicContact CG-CB 4.47Å; F128-K148 WeakPolarHBondContact CA-O 3.19Å; F128-R149 HydrophobicContact CD1-CB 3.81Å; F128-R149 HydrophobicContact CD2-CB 3.8Å; F128-R149 HydrophobicContact CD2-CG 4.46Å; F128-R149 HydrophobicContact CE1-CB 3.77Å; F128-R149 HydrophobicContact CE2-CB 3.77Å; F128-R149 HydrophobicContact CE2-CG 4.43Å; F128-R149 HydrophobicContact CG-CB 3.83Å; F128-R149 HydrophobicContact CZ-CB 3.76Å | ||
| 129 | Q | 98.1 | Very high | 96.5 | Very high | 149 Ų | 149 | 74 Ų | 74 | 70% | 0.696 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.6 | 175 | -59.5 | -174.3 | 2 | 0 | 0 | 109.5 | S131 M147 K148 | Q129-S131 PolarHBondContact O-N 2.97Å; Q129-M147 CarbonylContact O-C 3.46Å; Q129-M147 WeakPolarHBondContact O-CA 3.37Å; Q129-K148 PolarHBondContact N-O 2.81Å; Q129-K148 PolarHBondContact O-N 2.91Å |
| 130 | I | 98.1 | Very high | 96.4 | Very high | 84 Ų | 84 | 77.7 Ų | 77.7 | 43% | 0.431 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 121.5 | 173.5 | -60.5 | 171.2 | 0 | 0 | 0 | 107.3 | Y145 M147 | I130-Y145 HydrophobicContact CD1-CD1 3.92Å; I130-Y145 HydrophobicContact CD1-CD2 4.38Å; I130-Y145 HydrophobicContact CD1-CE1 4.01Å; I130-Y145 HydrophobicContact CD1-CE2 4.44Å; I130-Y145 HydrophobicContact CD1-CG 4.11Å; I130-Y145 HydrophobicContact CG1-CD1 4.3Å; I130-Y145 HydrophobicContact CG1-CG 4.36Å; I130-Y145 HydrophobicContact CG2-CD1 3.56Å; I130-Y145 HydrophobicContact CG2-CE1 4.21Å; I130-Y145 HydrophobicContact CG2-CG 4.25Å; I130-M147 HydrophobicContact CG1-CE 4.05Å; I130-M147 HydrophobicContact CG1-CG 4.34Å |
| 131 | S | 96.8 | Very high | 96.5 | Very high | 64 Ų | 64 | 74.5 Ų | 74.5 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -50.1 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 110 | Q129 A146 | Q129-S131 PolarHBondContact O-N 2.97Å; S131-A146 PolarHBondContact N-O 2.93Å |
| 132 | E | 96.8 | Very high | 96.6 | Very high | 99 Ų | 99 | 74.8 Ų | 74.8 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 166.9 | -173.9 | 60 | -166.7 | 151 | 0 | 0 | 111.4 | A146 | E132-A146 HydrophobicContact CG-CB 3.55Å; E132-A146 PolarHBondContact N-O 2.86Å; E132-A146 PolarHBondContact O-N 2.83Å |
| 133 | V | 97.9 | Very high | 96.6 | Very high | 68 Ų | 68 | 76 Ų | 76 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.9 | 175 | 174.3 | 0 | 0 | 0 | 0 | 107.4 | K113 P135 D143 A144 Y145 | K113-V133 VanDerWaalsContact CE-CG1 3.44Å; V133-P135 WeakPolarHBondContact O-CD 3.34Å; V133-D143 HydrophobicContact CG1-CB 4.39Å; V133-A144 WeakPolarHBondContact CA-O 3.32Å; V133-Y145 HydrophobicContact CG2-CD1 3.7Å; V133-Y145 HydrophobicContact CG2-CE1 3.59Å |
| 134 | E | 97.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 73.9 Ų | 73.9 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 109.9 | 177.6 | -67.9 | -175.9 | -171 | 0 | 0 | 109.4 | H110 Y137 D143 A144 | H110-E134 IonicContact CD2-OE1 2.78Å; H110-E134 IonicContact CD2-OE2 2.74Å; H110-E134 PolarHBondContact CD2-OE2 3.44Å; H110-E134 VanDerWaalsContact CD2-OE2 3.23Å; H110-E134 IonicContact CE1-OE1 3.24Å; H110-E134 IonicContact NE2-OE1 3.67Å; H110-E134 PolarHBondContact NE2-OE1 3.03Å; H110-E134 IonicContact NE2-OE2 3.22Å; H110-E134 PolarHBondContact NE2-OE2 3.36Å; E134-Y137 HydrophobicContact CB-CD2 4.25Å; E134-Y137 WeakPolarHBondContact OE2-CD2 3.24Å; E134-Y137 WeakPolarHBondContact OE2-CE2 3.15Å; E134-D143 VanDerWaalsContact O-CA 3.32Å; E134-D143 WeakPolarHBondContact O-CA 3.2Å; E134-A144 HydrophobicContact CB-CB 4.46Å; E134-A144 PolarHBondContact N-O 2.84Å; E134-A144 PolarHBondContact O-N 3.35Å |
| 135 | P | 97.6 | Very high | 96.9 | Very high | 99 Ų | 99 | 71.5 Ų | 71.5 | 64% | 0.643 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 136.3 | -176.4 | 28.9 | -33.6 | 0 | 0 | 0 | 110.9 | V133 Y137 D143 | V133-P135 WeakPolarHBondContact O-CD 3.34Å; P135-Y137 PolarHBondContact O-N 2.82Å; P135-D143 VanDerWaalsContact CA-OD1 3.29Å; P135-D143 WeakPolarHBondContact CA-OD1 3.2Å |
| 136 | K | 96.8 | Very high | 97.1 | Very high | 165 Ų | 165 | 69.4 Ų | 69.4 | 72% | 0.717 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 38.5 | 178 | -54.8 | 178.4 | -179.2 | 179.3 | 0 | 114 | D143 | K136-D143 PolarHBondContact N-OD1 2.97Š|
| 137 | Y | 97.3 | Very high | 97.2 | Very high | 108 Ų | 108 | 69.3 Ų | 69.3 | 42% | 0.424 | 38% | 0.376 | S | S | . | . | trans | -64.8 | -41.8 | -179.6 | 179.4 | -97.9 | 0 | 0 | 0 | 112.4 | H110 E134 P135 E142 A144 | H110-Y137 HydrophobicContact CB-CE1 3.96Å; H110-Y137 AromaticContact CD2-CE2 3.74Å; H110-Y137 AromaticContact CD2-CZ 3.76Å; H110-Y137 AromaticContact CG-CZ 3.72Å; H110-Y137 AromaticContact NE2-CE2 3.85Å; E134-Y137 HydrophobicContact CB-CD2 4.25Å; E134-Y137 WeakPolarHBondContact OE2-CD2 3.24Å; E134-Y137 WeakPolarHBondContact OE2-CE2 3.15Å; P135-Y137 PolarHBondContact O-N 2.82Å; Y137-E142 PolarHBondContact N-O 3.29Å; Y137-A144 HydrophobicContact CD1-CB 3.66Å; Y137-A144 HydrophobicContact CE1-CB 4.46Å; Y137-A144 HydrophobicContact CG-CB 3.67Å | ||
| 138 | Y | 96.5 | Very high | 97.3 | Very high | 31 Ų | 31 | 67.2 Ų | 67.2 | 12% | 0.122 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -85.9 | 154.7 | -179.4 | -64 | -78.4 | 0 | 0 | 0 | 111.6 | E24 V111 R112 D140 G141 E142 A144 | E24-Y138 HydrophobicContact CG-CD1 4.23Å; E24-Y138 HydrophobicContact CG-CE1 4.16Å; V111-Y138 WeakPolarHBondContact CA-OH 3.48Å; R112-Y138 HydrophobicContact CB-CE2 4.07Å; R112-Y138 HydrophobicContact CG-CD1 4.4Å; R112-Y138 HydrophobicContact CG-CD2 3.64Å; R112-Y138 HydrophobicContact CG-CE1 4.07Å; R112-Y138 HydrophobicContact CG-CE2 3.24Å; R112-Y138 HydrophobicContact CG-CG 4.21Å; R112-Y138 VanDerWaalsContact CG-CZ 3.49Å; R112-Y138 PolarHBondContact N-OH 3Å; Y138-D140 WeakPolarHBondContact CB-OD1 3.14Å; Y138-D140 PolarHBondContact O-N 2.84Å; Y138-G141 WeakPolarHBondContact O-CA 3.44Å; Y138-G141 PolarHBondContact O-N 2.87Å; Y138-E142 HydrophobicContact CD2-CB 4.31Å; Y138-E142 WeakPolarHBondContact CD2-O 3.24Å; Y138-E142 PolarHBondContact N-O 3.25Å; Y138-A144 HydrophobicContact CD2-CB 4.32Å; Y138-A144 HydrophobicContact CE2-CB 3.62Å |
| 139 | A | 93.5 | Very high | 97.3 | Very high | 116 Ų | 116 | 68 Ų | 68 | 96% | 0.959 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -25.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G141 | A139-G141 PolarHBondContact O-N 2.98Š|
| 140 | D | 94.9 | Very high | 97.3 | Very high | 108 Ų | 108 | 65.4 Ų | 65.4 | 58% | 0.578 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 3.1 | 173.1 | 59.7 | -23.7 | 0 | 0 | 0 | 113.2 | R112 Y138 E142 | R112-D140 IonicContact CZ-OD1 3.45Å; R112-D140 IonicContact CZ-OD2 3.67Å; R112-D140 VanDerWaalsContact NH1-CG 3.28Å; R112-D140 IonicContact NH1-OD1 2.76Å; R112-D140 PolarHBondContact NH1-OD1 3.4Å; R112-D140 IonicContact NH1-OD2 3.28Å; R112-D140 PolarHBondContact NH1-OD2 3.09Å; R112-D140 IonicContact NH2-OD1 3.92Å; R112-D140 PolarHBondContact NH2-OD1 2.92Å; R112-D140 IonicContact NH2-OD2 3.62Å; Y138-D140 WeakPolarHBondContact CB-OD1 3.14Å; Y138-D140 PolarHBondContact O-N 2.84Å; D140-E142 VanDerWaalsContact C-N 3.33Å |
| 141 | G | 96 | Very high | 97.3 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 81.7 | 7.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y138 A139 | Y138-G141 WeakPolarHBondContact O-CA 3.44Å; Y138-G141 PolarHBondContact O-N 2.87Å; A139-G141 PolarHBondContact O-N 2.98Å |
| 142 | E | 97.5 | Very high | 97.2 | Very high | 42 Ų | 42 | 60.8 Ų | 60.8 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | trans | -69.8 | 139.2 | 174.3 | -162.9 | -176.4 | 169.6 | 0 | 0 | 110.7 | R112 K113 S114 Y137 Y138 D140 | R112-E142 WeakPolarHBondContact CD-OE2 3.47Å; R112-E142 IonicContact CZ-OE2 2.83Å; R112-E142 IonicContact NE-OE2 3.31Å; R112-E142 IonicContact NH1-OE2 2.91Å; R112-E142 PolarHBondContact NH1-OE2 3.16Å; K113-E142 PolarHBondContact N-OE1 3.11Å; S114-E142 WeakPolarHBondContact CB-OE1 3.49Å; S114-E142 PolarHBondContact N-OE1 3.44Å; S114-E142 PolarHBondContact OG-OE1 2.98Å; S114-E142 PolarHBondContact OG-OE2 2.71Å; Y137-E142 PolarHBondContact N-O 3.29Å; Y138-E142 HydrophobicContact CD2-CB 4.31Å; Y138-E142 WeakPolarHBondContact CD2-O 3.24Å; Y138-E142 PolarHBondContact N-O 3.25Å; D140-E142 VanDerWaalsContact C-N 3.33Å | ||
| 143 | D | 98.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | trans | -70.9 | 151.3 | 172.3 | -59.1 | -15.5 | 0 | 0 | 0 | 111.6 | K113 V133 E134 P135 K136 | K113-D143 HydrophobicContact CD-CB 3.8Å; K113-D143 VanDerWaalsContact CE-CB 3.5Å; K113-D143 HydrophobicContact CG-CB 4.16Å; K113-D143 PolarHBondContact N-O 3.48Å; K113-D143 IonicContact NZ-OD2 3.71Å; K113-D143 PolarHBondContact NZ-OD2 3.24Å; V133-D143 HydrophobicContact CG1-CB 4.39Å; E134-D143 VanDerWaalsContact O-CA 3.32Å; E134-D143 WeakPolarHBondContact O-CA 3.2Å; P135-D143 VanDerWaalsContact CA-OD1 3.29Å; P135-D143 WeakPolarHBondContact CA-OD1 3.2Å; K136-D143 PolarHBondContact N-OD1 2.97Å | ||
| 144 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 147.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H110 V111 V133 E134 Y137 Y138 | H110-A144 HydrophobicContact CB-CB 4.3Å; V111-A144 WeakPolarHBondContact O-CA 3.36Å; V133-A144 WeakPolarHBondContact CA-O 3.32Å; E134-A144 HydrophobicContact CB-CB 4.46Å; E134-A144 PolarHBondContact N-O 2.84Å; E134-A144 PolarHBondContact O-N 3.35Å; Y137-A144 HydrophobicContact CD1-CB 3.66Å; Y137-A144 HydrophobicContact CE1-CB 4.46Å; Y137-A144 HydrophobicContact CG-CB 3.67Å; Y138-A144 HydrophobicContact CD2-CB 4.32Å; Y138-A144 HydrophobicContact CE2-CB 3.62Å |
| 145 | Y | 98.5 | Very high | 97 | Very high | 60 Ų | 60 | 61.5 Ų | 61.5 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.2 | 154.9 | -69.8 | -60.8 | 0 | 0 | 0 | 108.3 | H110 V111 K113 L119 I130 V133 | H110-Y145 WeakPolarHBondContact CA-O 3.31Å; V111-Y145 PolarHBondContact N-O 3Å; V111-Y145 PolarHBondContact O-N 2.86Å; K113-Y145 HydrophobicContact CB-CD2 4.42Å; K113-Y145 HydrophobicContact CB-CE2 4.01Å; K113-Y145 HydrophobicContact CD-CE2 4.25Å; K113-Y145 HydrophobicContact CG-CD2 3.84Å; K113-Y145 HydrophobicContact CG-CE1 4.43Å; K113-Y145 HydrophobicContact CG-CE2 3.56Å; K113-Y145 HydrophobicContact CG-CG 4.42Å; L119-Y145 HydrophobicContact CD1-CE2 4.49Å; L119-Y145 HydrophobicContact CD2-CD2 3.85Å; L119-Y145 HydrophobicContact CD2-CE2 4.38Å; I130-Y145 HydrophobicContact CD1-CD1 3.92Å; I130-Y145 HydrophobicContact CD1-CD2 4.38Å; I130-Y145 HydrophobicContact CD1-CE1 4.01Å; I130-Y145 HydrophobicContact CD1-CE2 4.44Å; I130-Y145 HydrophobicContact CD1-CG 4.11Å; I130-Y145 HydrophobicContact CG1-CD1 4.3Å; I130-Y145 HydrophobicContact CG1-CG 4.36Å; I130-Y145 HydrophobicContact CG2-CD1 3.56Å; I130-Y145 HydrophobicContact CG2-CE1 4.21Å; I130-Y145 HydrophobicContact CG2-CG 4.25Å; V133-Y145 HydrophobicContact CG2-CD1 3.7Å; V133-Y145 HydrophobicContact CG2-CE1 3.59Å |
| 146 | A | 98.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | L109 S131 E132 | L109-A146 WeakPolarHBondContact O-CA 3.49Å; S131-A146 PolarHBondContact N-O 2.93Å; E132-A146 HydrophobicContact CG-CB 3.55Å; E132-A146 PolarHBondContact N-O 2.86Å; E132-A146 PolarHBondContact O-N 2.83Å |
| 147 | M | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.4 | -174.9 | -58.1 | -171.7 | 78.9 | 0 | 0 | 110.6 | S108 L109 V111 L119 Y122 S123 F128 Q129 I130 | S108-M147 CarbonylContact C-O 3.55Å; S108-M147 VanDerWaalsContact CA-O 3.23Å; S108-M147 WeakPolarHBondContact CA-O 3.46Å; L109-M147 HydrophobicContact CD1-CB 3.91Å; L109-M147 HydrophobicContact CD1-CG 4.17Å; L109-M147 HydrophobicContact CD1-SD 4.17Å; L109-M147 HydrophobicContact CG-CB 4.24Å; L109-M147 PolarHBondContact N-O 2.95Å; L109-M147 PolarHBondContact O-N 2.88Å; V111-M147 HydrophobicContact CG1-CG 4.06Å; V111-M147 HydrophobicContact CG1-SD 3.55Å; V111-M147 VanDerWaalsContact CG1-SD 3.55Å; L119-M147 HydrophobicContact CD2-SD 4.35Å; Y122-M147 HydrophobicContact CD2-SD 4.39Å; S123-M147 WeakPolarHBondContact OG-CE 3.32Å; F128-M147 HydrophobicContact CB-CB 4.13Å; F128-M147 HydrophobicContact CB-CE 3.67Å; F128-M147 HydrophobicContact CB-SD 4.42Å; F128-M147 HydrophobicContact CD1-CB 3.93Å; F128-M147 HydrophobicContact CG-CB 4.47Å; Q129-M147 CarbonylContact O-C 3.46Å; Q129-M147 WeakPolarHBondContact O-CA 3.37Å; I130-M147 HydrophobicContact CG1-CE 4.05Å; I130-M147 HydrophobicContact CG1-CG 4.34Å |
| 148 | K | 98.1 | Very high | 96.6 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 32% | 0.317 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.4 | 178 | -62.5 | -175.4 | -177.5 | -169.3 | 0 | 110.8 | Y106 V107 F128 Q129 | Y106-K148 HydrophobicContact CD2-CB 4.28Å; Y106-K148 HydrophobicContact CD2-CD 4.03Å; Y106-K148 HydrophobicContact CD2-CG 4.12Å; Y106-K148 HydrophobicContact CE2-CD 3.7Å; Y106-K148 HydrophobicContact CE2-CG 4.1Å; Y106-K148 PolarHBondContact OH-NZ 3.28Å; V107-K148 CarbonylContact O-C 3.35Å; V107-K148 WeakPolarHBondContact O-CA 3.11Å; F128-K148 WeakPolarHBondContact CA-O 3.19Å; Q129-K148 PolarHBondContact N-O 2.81Å; Q129-K148 PolarHBondContact O-N 2.91Å |
| 149 | R | 98.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.3 | 168 | 180 | -179.5 | 99.8 | 168.6 | 8.7 | 109.3 | D92 S95 Y106 V107 L126 F128 | D92-R149 IonicContact OD1-NH1 3.65Å; D92-R149 PolarHBondContact OD1-NH1 3.12Å; D92-R149 IonicContact OD1-NH2 3.4Å; S95-R149 PolarHBondContact OG-NH2 3.38Å; Y106-R149 CarbonylContact C-O 3.56Å; Y106-R149 WeakPolarHBondContact CA-O 3.42Å; Y106-R149 VanDerWaalsContact CB-O 3.25Å; Y106-R149 WeakPolarHBondContact CB-O 3.45Å; V107-R149 HydrophobicContact CG1-CB 3.83Å; V107-R149 PolarHBondContact N-O 2.95Å; V107-R149 PolarHBondContact O-N 3.45Å; L126-R149 WeakPolarHBondContact O-CD 3.46Å; F128-R149 HydrophobicContact CD1-CB 3.81Å; F128-R149 HydrophobicContact CD2-CB 3.8Å; F128-R149 HydrophobicContact CD2-CG 4.46Å; F128-R149 HydrophobicContact CE1-CB 3.77Å; F128-R149 HydrophobicContact CE2-CB 3.77Å; F128-R149 HydrophobicContact CE2-CG 4.43Å; F128-R149 HydrophobicContact CG-CB 3.83Å; F128-R149 HydrophobicContact CZ-CB 3.76Å |
| 150 | D | 97.9 | Very high | 96.4 | Very high | 95 Ų | 95 | 60 Ų | 60 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 134.9 | 171.6 | 178.2 | -96.4 | 0 | 0 | 0 | 110.7 | S152 | D150-S152 WeakPolarHBondContact OD1-CB 3.41Å; D150-S152 PolarHBondContact OD1-N 3.17Å; D150-S152 PolarHBondContact OD1-OG 2.94Å; D150-S152 PolarHBondContact OD2-OG 3.17Å |
| 151 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -106.8 | 0.8 | 179.9 | -66 | 179.7 | 0 | 0 | 0 | 112.6 | I99 A104 K105 V107 Q153 M154 A155 | I99-L151 HydrophobicContact CD1-CB 3.98Å; I99-L151 HydrophobicContact CD1-CD1 4.42Å; I99-L151 HydrophobicContact CD1-CD2 4.44Å; I99-L151 HydrophobicContact CG1-CB 4.03Å; I99-L151 HydrophobicContact CG1-CD1 4.02Å; A104-L151 HydrophobicContact CB-CD1 4.15Å; K105-L151 WeakPolarHBondContact O-CB 3.36Å; K105-L151 PolarHBondContact O-N 2.81Å; V107-L151 HydrophobicContact CB-CD1 4.26Å; V107-L151 HydrophobicContact CG1-CD1 4.38Å; V107-L151 HydrophobicContact CG1-CD2 4.16Å; V107-L151 HydrophobicContact CG1-CG 4.35Å; L151-Q153 PolarHBondContact O-N 2.92Å; L151-M154 HydrophobicContact CD2-SD 4.49Å; L151-M154 PolarHBondContact O-N 2.76Å; L151-A155 WeakPolarHBondContact O-CB 3.32Å; L151-A155 PolarHBondContact O-N 3.17Å | ||
| 152 | S | 95.4 | Very high | 95.6 | Very high | 50 Ų | 50 | 60.1 Ų | 60.1 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | -174.5 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | D150 M154 A155 D156 | D150-S152 WeakPolarHBondContact OD1-CB 3.41Å; D150-S152 PolarHBondContact OD1-N 3.17Å; D150-S152 PolarHBondContact OD1-OG 2.94Å; D150-S152 PolarHBondContact OD2-OG 3.17Å; S152-M154 PolarHBondContact O-N 2.85Å; S152-A155 WeakPolarHBondContact O-CB 3.39Å; S152-A155 PolarHBondContact O-N 3.44Å; S152-D156 PolarHBondContact O-N 3.03Å |
| 153 | Q | 95.3 | Very high | 95.1 | Very high | 165 Ų | 165 | 63 Ų | 63 | 77% | 0.771 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 177.5 | -65.1 | -175.1 | 1.9 | 0 | 0 | 112.7 | L151 A155 D156 E157 | L151-Q153 PolarHBondContact O-N 2.92Å; Q153-A155 VanDerWaalsContact C-N 3.34Å; Q153-D156 PolarHBondContact O-N 3.07Å; Q153-E157 PolarHBondContact O-N 3.18Å; Q153-E157 VanDerWaalsContact O-N 3.16Å |
| 154 | M | 96 | Very high | 94.3 | Very high | 56 Ų | 56 | 67.4 Ų | 67.4 | 28% | 0.276 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 177.3 | -179.5 | 176.1 | -77.4 | 0 | 0 | 111 | I99 L151 S152 E157 L158 | I99-M154 HydrophobicContact CD1-CB 3.84Å; I99-M154 HydrophobicContact CD1-CG 3.56Å; I99-M154 HydrophobicContact CD1-SD 3.71Å; L151-M154 HydrophobicContact CD2-SD 4.49Å; L151-M154 PolarHBondContact O-N 2.76Å; S152-M154 PolarHBondContact O-N 2.85Å; M154-E157 PolarHBondContact O-N 2.88Å; M154-L158 HydrophobicContact CG-CD1 4.16Å; M154-L158 VanDerWaalsContact O-CG 3.3Å; M154-L158 WeakPolarHBondContact O-CG 3.08Å; M154-L158 PolarHBondContact O-N 3.23Å |
| 155 | A | 96 | Very high | 93.3 | Very high | 9 Ų | 9 | 75.4 Ų | 75.4 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I99 L151 S152 Q153 L158 R159 | I99-A155 HydrophobicContact CD1-CB 4.35Å; I99-A155 HydrophobicContact CG2-CB 3.65Å; L151-A155 WeakPolarHBondContact O-CB 3.32Å; L151-A155 PolarHBondContact O-N 3.17Å; S152-A155 WeakPolarHBondContact O-CB 3.39Å; S152-A155 PolarHBondContact O-N 3.44Å; Q153-A155 VanDerWaalsContact C-N 3.34Å; A155-L158 PolarHBondContact O-N 2.84Å; A155-R159 VanDerWaalsContact O-CG 3.28Å; A155-R159 WeakPolarHBondContact O-CG 3.44Å; A155-R159 PolarHBondContact O-N 2.71Å |
| 156 | D | 96 | Very high | 92 | Very high | 82 Ų | 82 | 79.9 Ų | 79.9 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 178 | -69.7 | -22.3 | 0 | 0 | 0 | 112.2 | S152 Q153 R159 R160 | S152-D156 PolarHBondContact O-N 3.03Å; Q153-D156 PolarHBondContact O-N 3.07Å; D156-R159 PolarHBondContact O-N 3.1Å; D156-R159 IonicContact OD1-NH1 3.63Å; D156-R159 PolarHBondContact OD1-NH1 3.38Å; D156-R159 VanDerWaalsContact OD1-NH1 3.17Å; D156-R160 WeakPolarHBondContact O-CG 2.83Å; D156-R160 PolarHBondContact O-N 2.85Å; D156-R160 VanDerWaalsContact O-N 3.08Å |
| 157 | E | 95.2 | Very high | 90 | Very high | 95 Ų | 95 | 82.1 Ų | 82.1 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.4 | 178.4 | 56.1 | -151.2 | 0 | 0 | 111.8 | Q153 M154 R159 R160 Q161 | Q153-E157 PolarHBondContact O-N 3.18Å; Q153-E157 VanDerWaalsContact O-N 3.16Å; M154-E157 PolarHBondContact O-N 2.88Å; E157-R159 PolarHBondContact O-N 2.97Å; E157-R160 PolarHBondContact O-N 2.97Å; E157-Q161 WeakPolarHBondContact O-CG 3.29Å; E157-Q161 PolarHBondContact O-N 2.81Å; E157-Q161 VanDerWaalsContact O-N 3.12Å; E157-Q161 PolarHBondContact OE1-NE2 3.3Å |
| 158 | L | 93.1 | Very high | 87.6 | Confident | 19 Ų | 19 | 85.2 Ų | 85.2 | 10% | 0.099 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 177.3 | -71.4 | 169 | 0 | 0 | 0 | 112 | R96 I99 E100 M154 A155 Q161 V162 | R96-L158 HydrophobicContact CG-CD1 4Å; R96-L158 HydrophobicContact CG-CD2 4.29Å; I99-L158 HydrophobicContact CB-CD1 4.42Å; I99-L158 HydrophobicContact CD1-CD1 4.09Å; I99-L158 HydrophobicContact CG2-CD1 4.21Å; E100-L158 HydrophobicContact CG-CD1 4.47Å; M154-L158 HydrophobicContact CG-CD1 4.16Å; M154-L158 VanDerWaalsContact O-CG 3.3Å; M154-L158 WeakPolarHBondContact O-CG 3.08Å; M154-L158 PolarHBondContact O-N 3.23Å; A155-L158 PolarHBondContact O-N 2.84Å; L158-Q161 PolarHBondContact O-N 3.13Å; L158-V162 WeakPolarHBondContact O-CG2 3.42Å; L158-V162 PolarHBondContact O-N 3.2Å |
| 159 | R | 92.3 | Very high | 85.2 | Confident | 123 Ų | 123 | 92 Ų | 92 | 46% | 0.464 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | 176.1 | -72.6 | 166.3 | -178.4 | 168.9 | -3.6 | 111.5 | A155 D156 E157 Q161 V162 D163 | A155-R159 VanDerWaalsContact O-CG 3.28Å; A155-R159 WeakPolarHBondContact O-CG 3.44Å; A155-R159 PolarHBondContact O-N 2.71Å; D156-R159 PolarHBondContact O-N 3.1Å; D156-R159 IonicContact OD1-NH1 3.63Å; D156-R159 PolarHBondContact OD1-NH1 3.38Å; D156-R159 VanDerWaalsContact OD1-NH1 3.17Å; E157-R159 PolarHBondContact O-N 2.97Å; R159-Q161 VanDerWaalsContact C-N 3.29Å; R159-Q161 PolarHBondContact O-N 3.15Å; R159-V162 PolarHBondContact O-N 3.44Å; R159-V162 VanDerWaalsContact O-N 3.11Å; R159-D163 PolarHBondContact O-N 2.95Å; R159-D163 VanDerWaalsContact O-N 3.11Å |
| 160 | R | 92.8 | Very high | 82.6 | Confident | 170 Ų | 170 | 97 Ų | 97 | 64% | 0.642 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59 | -39.4 | 177.8 | -69.7 | 176.6 | 76.9 | 169.9 | 4.6 | 112.5 | D156 E157 V162 D163 L164 | D156-R160 WeakPolarHBondContact O-CG 2.83Å; D156-R160 PolarHBondContact O-N 2.85Å; D156-R160 VanDerWaalsContact O-N 3.08Å; E157-R160 PolarHBondContact O-N 2.97Å; R160-V162 VanDerWaalsContact C-N 3.33Å; R160-V162 PolarHBondContact O-N 3.37Å; R160-D163 PolarHBondContact O-N 2.99Å; R160-L164 WeakPolarHBondContact O-CG 3.3Å; R160-L164 PolarHBondContact O-N 3.41Å; R160-L164 VanDerWaalsContact O-N 3.11Å |
| 161 | Q | 88.6 | Confident | 80 | Confident | 74 Ų | 74 | 98.1 Ų | 98.1 | 35% | 0.346 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -34.4 | 177.8 | -70.2 | 179 | 18.8 | 0 | 0 | 113 | E157 L158 R159 K165 | E157-Q161 WeakPolarHBondContact O-CG 3.29Å; E157-Q161 PolarHBondContact O-N 2.81Å; E157-Q161 VanDerWaalsContact O-N 3.12Å; E157-Q161 PolarHBondContact OE1-NE2 3.3Å; L158-Q161 PolarHBondContact O-N 3.13Å; R159-Q161 VanDerWaalsContact C-N 3.29Å; R159-Q161 PolarHBondContact O-N 3.15Å; Q161-K165 WeakPolarHBondContact O-CG 3.3Å; Q161-K165 PolarHBondContact O-N 2.86Å |
| 162 | V | 86.6 | Confident | 77.5 | Confident | 73 Ų | 73 | 106.6 Ų | 106.6 | 44% | 0.442 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | L158 R159 R160 K165 K166 | L158-V162 WeakPolarHBondContact O-CG2 3.42Å; L158-V162 PolarHBondContact O-N 3.2Å; R159-V162 PolarHBondContact O-N 3.44Å; R159-V162 VanDerWaalsContact O-N 3.11Å; R160-V162 VanDerWaalsContact C-N 3.33Å; R160-V162 PolarHBondContact O-N 3.37Å; V162-K165 PolarHBondContact O-N 3.43Å; V162-K166 HydrophobicContact CG1-CD 4.28Å; V162-K166 PolarHBondContact O-N 2.83Å; V162-K166 VanDerWaalsContact O-N 3.08Å |
| 163 | D | 85.8 | Confident | 74.6 | Confident | 104 Ų | 104 | 107 Ų | 107 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.7 | -42.2 | -179.5 | -66 | -24.5 | 0 | 0 | 0 | 112.1 | R159 R160 K165 K166 G167 | R159-D163 PolarHBondContact O-N 2.95Å; R159-D163 VanDerWaalsContact O-N 3.11Å; R160-D163 PolarHBondContact O-N 2.99Å; D163-K165 VanDerWaalsContact C-N 3.31Å; D163-K165 PolarHBondContact O-N 3.42Å; D163-K166 PolarHBondContact O-N 3.21Å; D163-G167 PolarHBondContact O-N 2.93Å |
| 164 | L | 82.7 | Confident | 71.9 | Confident | 139 Ų | 139 | 104.9 Ų | 104.9 | 73% | 0.728 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.7 | -37.6 | 175.5 | -71.8 | 171.6 | 0 | 0 | 0 | 112.6 | R160 | R160-L164 WeakPolarHBondContact O-CG 3.3Å; R160-L164 PolarHBondContact O-N 3.41Å; R160-L164 VanDerWaalsContact O-N 3.11Å |
| 165 | K | 77.4 | Confident | 69.2 | Low | 168 Ų | 168 | 113.4 Ų | 113.4 | 73% | 0.73 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71 | -32.8 | 177 | -75.2 | -179.2 | -179.2 | -179.5 | 0 | 112.6 | Q161 V162 D163 | Q161-K165 WeakPolarHBondContact O-CG 3.3Å; Q161-K165 PolarHBondContact O-N 2.86Å; V162-K165 PolarHBondContact O-N 3.43Å; D163-K165 VanDerWaalsContact C-N 3.31Å; D163-K165 PolarHBondContact O-N 3.42Å |
| 166 | K | 70.6 | Confident | 66.3 | Low | 153 Ų | 153 | 122.2 Ų | 122.2 | 67% | 0.665 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.1 | -34.7 | 175.1 | -73.4 | 179.1 | 179 | 177.2 | 0 | 112.4 | V162 D163 G168 Y169 | V162-K166 HydrophobicContact CG1-CD 4.28Å; V162-K166 PolarHBondContact O-N 2.83Å; V162-K166 VanDerWaalsContact O-N 3.08Å; D163-K166 PolarHBondContact O-N 3.21Å; K166-G168 VanDerWaalsContact C-N 3.28Å; K166-G168 PolarHBondContact O-N 3.5Å; K166-Y169 PolarHBondContact O-N 2.8Å |
| 167 | G | 55.4 | Low | 63.1 | Low | 53 Ų | 53 | 125 Ų | 125 | 55% | 0.546 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70.2 | -15 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | D163 Y169 | D163-G167 PolarHBondContact O-N 2.93Å; G167-Y169 VanDerWaalsContact C-N 3.3Å; G167-Y169 PolarHBondContact O-N 3.43Å |
| 168 | G | 49.2 | Very low | 60.1 | Low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -7.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K166 | K166-G168 VanDerWaalsContact C-N 3.28Å; K166-G168 PolarHBondContact O-N 3.5Å |
| 169 | Y | 46.3 | Very low | 57.1 | Low | 215 Ų | 215 | 135.3 Ų | 135.3 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | -101.3 | 43.3 | 179.1 | -118.9 | -89.2 | 0 | 0 | 0 | 111.6 | K166 G167 | K166-Y169 PolarHBondContact O-N 2.8Å; G167-Y169 VanDerWaalsContact C-N 3.3Å; G167-Y169 PolarHBondContact O-N 3.43Å | ||
| 170 | V | 44.4 | Very low | 54 | Low | 126 Ų | 126 | 136.2 Ų | 136.2 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | -90.5 | 107.5 | 168.3 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | L172 | V170-L172 PolarHBondContact O-N 3.33Š| ||
| 171 | V | 44.2 | Very low | 50.9 | Low | 120 Ų | 120 | 137.5 Ų | 137.5 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -42 | 118.6 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | G173 | V171-G173 PolarHBondContact O-N 3.39Š| ||
| 172 | L | 43.6 | Very low | 47.9 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 93% | 0.927 | 75% | 0.75 | S | S | * | * | trans | -66.8 | 79.5 | 156.7 | -101.2 | 153.7 | 0 | 0 | 0 | 107.3 | V170 S174 | V170-L172 PolarHBondContact O-N 3.33Å; L172-S174 PolarHBondContact O-N 2.88Å | ||
| 173 | G | 34.7 | Very low | 45.1 | Very low | 60 Ų | 60 | 139.5 Ų | 139.5 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | trans | -75.6 | 106.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | V171 R175 | V171-G173 PolarHBondContact O-N 3.39Å; G173-R175 PolarHBondContact O-N 3.44Å | ||
| 174 | S | 38.6 | Very low | 42.2 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -48.8 | 135.8 | 175 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | L172 | L172-S174 PolarHBondContact O-N 2.88Š| ||
| 175 | R | 39.9 | Very low | 39.7 | Very low | 234 Ų | 234 | 142 Ų | 142 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -81.4 | 118.9 | 171.8 | -173.2 | -179.3 | 175.8 | -175.8 | -1.5 | 107.8 | G173 | G173-R175 PolarHBondContact O-N 3.44Š| ||
| 176 | E | 34 | Very low | 37 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -150.6 | 140.9 | 159.8 | -112.7 | 169.6 | -169.4 | 0 | 0 | 111.3 | ||||
| 177 | N | 30.6 | Very low | 34.8 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -100.2 | 153 | -166.5 | -99.2 | -12.7 | 0 | 0 | 0 | 112 | ||||
| 178 | Q | 32 | Very low | 33.6 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | 77.1 | 116.9 | 144.5 | -76.5 | 173.4 | 3.1 | 0 | 0 | 122.8 | ||||
| 179 | E | 29 | Very low | 32.5 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 45.5 | 125.8 | 130.4 | -61.3 | -177.6 | 161.2 | 0 | 0 | 121.2 | ||||
| 180 | T | 27.2 | Very low | 31.6 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | -175.4 | 159.5 | 97.1 | -4.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 181 | Q | 28.3 | Very low | 30.7 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -67.4 | 158.2 | -171.8 | -62.6 | 167.4 | -17.9 | 0 | 0 | 116.4 | ||||
| 182 | G | 25.4 | Very low | 29.9 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 174.5 | 107.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 183 | S | 27 | Very low | 29.1 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -46.2 | 149.2 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 184 | T | 26.5 | Very low | 28.7 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | 179 | 136.7 | 110.9 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 185 | L | 29.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -49.3 | 177.3 | 170.4 | -76.1 | 115.4 | 0 | 0 | 0 | 115.4 | ||||
| 186 | C | 21.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 144 Ų | 144 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | cis | 169.3 | 150 | -20.6 | 178.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 187 | G | 24.1 | Very low | 27.7 | Very low | 63 Ų | 63 | 140.3 Ų | 140.3 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | 144.1 | 125.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 188 | S | 30 | Very low | 27.5 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | cis | -160.3 | 145 | 10.9 | -43.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 189 | E | 26 | Very low | 27.4 | Very low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | 16.9 | 137.1 | 139.2 | -66.5 | 166.7 | 174.2 | 0 | 0 | 118.2 | ||||
| 190 | E | 27.1 | Very low | 27.2 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | cis | -171.1 | 166 | 46.7 | -136.1 | 171.1 | -161.8 | 0 | 0 | 111.8 | ||||
| 191 | A | 25.7 | Very low | 27.1 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -86.8 | 162.9 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 192 | C | 27.5 | Very low | 27 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | -173.2 | 145.9 | 118.2 | -97.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 193 | Q | 25.8 | Very low | 27 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | -92 | 168.2 | -173.4 | -55 | 172.3 | -10.2 | 0 | 0 | 113.1 | ||||
| 194 | Q | 26.5 | Very low | 27 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | 108.4 | 118.8 | 137.6 | -81 | 166.1 | 32.1 | 0 | 0 | 120.3 | ||||
| 195 | K | 27.1 | Very low | 27 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | 79.4 | 114.8 | 133.3 | -79.4 | 177.5 | 172.3 | 177.1 | 0 | 120.4 | ||||
| 196 | N | 30.3 | Very low | 27 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -64.9 | 158.6 | 146 | -60.2 | -20.6 | 0 | 0 | 0 | 110.1 | ||||
| 197 | P | 34 | Very low | 27.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | -144.8 | 174.8 | 91.2 | 35.1 | -16.4 | 0 | 0 | 0 | 115.6 | |||||
| 198 | D | 27 | Very low | 27.6 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -55.4 | 157.8 | -175.6 | -51.1 | -70.2 | 0 | 0 | 0 | 116.5 | ||||
| 199 | T | 28.8 | Very low | 27.6 | Very low | 143 Ų | 143 | 145 Ų | 145 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -149.9 | 122.3 | 151.2 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 200 | E | 25.6 | Very low | 27.7 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -74.9 | 146.1 | 165.7 | -60.9 | -176 | 151 | 0 | 0 | 111.2 | ||||
| 201 | E | 25.9 | Very low | 27.8 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -169.2 | 114.6 | 143 | -111.7 | -174.1 | 156.8 | 0 | 0 | 107.1 | ||||
| 202 | S | 25.4 | Very low | 27.8 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | 63.8 | 121.9 | 84.1 | 110.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 203 | G | 26.2 | Very low | 28.2 | Very low | 80 Ų | 80 | 143.9 Ų | 143.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 173.8 | 93.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 204 | S | 27.2 | Very low | 28.2 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -63.3 | 148.2 | 170 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 205 | D | 25.5 | Very low | 28.4 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | 179.9 | 116.3 | 132.3 | -110 | -20.7 | 0 | 0 | 0 | 109.2 | ||||
| 206 | S | 30.2 | Very low | 28.6 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 92.3 | 112.4 | 89.6 | -72.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 207 | K | 27.6 | Very low | 28.5 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -97.1 | 121.7 | -176.1 | -167 | 175.1 | -169.7 | 172.3 | 0 | 107.6 | D65 | D65-K207 IonicContact OD1-NZ 2.71Å; D65-K207 PolarHBondContact OD1-NZ 3.4Å | ||
| 208 | E | 30.1 | Very low | 28.5 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -134.2 | 154 | 166.6 | -84.8 | -158.2 | 156.8 | 0 | 0 | 112 | ||||
| 209 | P | 30 | Very low | 28.8 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 163.6 | -146.7 | 34 | -25.3 | 0 | 0 | 0 | 115.5 | ||
| 210 | K | 28.6 | Very low | 28.9 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 52% | 0.522 | 79% | 0.793 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 129 | -179.9 | -62.4 | 166.8 | -176.4 | 146.3 | 0 | 112.3 | D63 D65 | D63-K210 IonicContact OD1-NZ 2.85Å; D63-K210 PolarHBondContact OD1-NZ 3.43Å; D63-K210 IonicContact OD2-NZ 2.76Å; D63-K210 PolarHBondContact OD2-NZ 3.15Å; D65-K210 IonicContact OD2-NZ 3.17Å |
| 211 | E | 28.2 | Very low | 29.1 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 127.5 | 169.6 | -82 | -173.6 | 152.9 | 0 | 0 | 111.8 | ||
| 212 | S | 26.7 | Very low | 29.8 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131.4 | 169.9 | -20.9 | 0 | 0 | 0 | 0 | 110.3 | E214 | S212-E214 PolarHBondContact O-N 2.63Å; S212-E214 VanDerWaalsContact O-N 3.15Å |
| 213 | V | 36.1 | Very low | 30.3 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -73.2 | 106.6 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 214 | E | 25.3 | Very low | 30.6 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -77.4 | 119.4 | 169.6 | -168.6 | 173.3 | -173.5 | 0 | 0 | 110 | S212 T216 | S212-E214 PolarHBondContact O-N 2.63Å; S212-E214 VanDerWaalsContact O-N 3.15Å; E214-T216 PolarHBondContact O-N 2.63Å | ||
| 215 | S | 29.7 | Very low | 31.2 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -83.8 | 105.3 | 172.5 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | N217 | S215-N217 PolarHBondContact O-N 2.92Š| ||
| 216 | T | 31.3 | Very low | 31.6 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -78.1 | 114.5 | 174.3 | 33.3 | 0 | 0 | 0 | 0 | 110.4 | E214 | E214-T216 PolarHBondContact O-N 2.63Š| ||
| 217 | N | 29.3 | Very low | 32.5 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -77.3 | 125 | 166.4 | -104.4 | -12.8 | 0 | 0 | 0 | 109.2 | S215 | S215-N217 PolarHBondContact O-N 2.92Š| ||
| 218 | V | 34.2 | Very low | 33 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -96.2 | 106.9 | 163 | -178.3 | 0 | 0 | 0 | 0 | 106.9 | D220 | V218-D220 PolarHBondContact O-N 3.41Š| ||
| 219 | Q | 32.2 | Very low | 33.7 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | -76.5 | 109.9 | 166.7 | -83.7 | 176.6 | -49.4 | 0 | 0 | 108.5 | ||||
| 220 | D | 30.7 | Very low | 33.8 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | -87.7 | 106.9 | 165.2 | -157.6 | 6.1 | 0 | 0 | 0 | 108 | V218 | V218-D220 PolarHBondContact O-N 3.41Š| ||
| 221 | S | 31.7 | Very low | 34.1 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 85% | 0.848 | S | S | * | * | trans | -96.5 | 98.6 | 175.5 | -57.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 222 | S | 39.2 | Very low | 34.4 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 85% | 0.846 | S | S | * | * | trans | -91.7 | 110.6 | 165.1 | 44 | 0 | 0 | 0 | 0 | 109 | G224 | S222-G224 PolarHBondContact O-N 3.35Š| ||
| 223 | E | 35.7 | Very low | 34.9 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 91% | 0.907 | 85% | 0.848 | S | S | * | * | trans | -68.1 | 114.4 | 168.8 | -67.7 | 179.5 | 150.6 | 0 | 0 | 109.2 | ||||
| 224 | G | 34.1 | Very low | 34.8 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | -101.7 | 105.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S222 D226 | S222-G224 PolarHBondContact O-N 3.35Å; G224-D226 PolarHBondContact O-N 3.31Å | ||
| 225 | S | 38.3 | Very low | 35.5 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 85% | 0.852 | S | S | * | * | trans | -81 | 106.2 | 173.6 | 40.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 226 | D | 35.5 | Very low | 35.9 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 86% | 0.856 | S | S | * | * | trans | -82 | 128.2 | 157.1 | -97.3 | -27.1 | 0 | 0 | 0 | 108.9 | G224 | G224-D226 PolarHBondContact O-N 3.31Š| ||
| 227 | S | 47.9 | Very low | 36.2 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 87% | 0.865 | S | S | * | * | trans | -148.8 | 104.1 | 158.7 | -77.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 228 | T | 38.5 | Very low | 36.8 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 83% | 0.834 | 87% | 0.867 | S | S | * | * | trans | -57.7 | 128.5 | 159.1 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 229 | S | 43.7 | Very low | 37 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 100% | 1.399 | 87% | 0.87 | S | S | * | * | trans | -175.7 | 0 | 134.9 | -75.3 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 229 of 229 residues in 37.4 ms
(Link to these results)