| 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 | 90.8 | Very high | 96.9 | Very high | 116 Ų | 116 | 23.5 Ų | 23.5 | 57% | 0.571 | 12% | 0.121 | S | C | * | . | 0 | 153.6 | 0 | -73 | -171.2 | -83.5 | 0 | 0 | 108.9 | K178 I179 V180 Y448 | M1-K178 HydrophobicContact CB-CG 4.05Å; M1-K178 HydrophobicContact SD-CD 4.4Å; M1-K178 HydrophobicContact SD-CG 4.25Å; M1-I179 CarbonylContact C-O 3.58Å; M1-I179 WeakPolarHBondContact CA-O 2.98Å; M1-I179 VanDerWaalsContact CB-O 3.3Å; M1-I179 WeakPolarHBondContact CB-O 3Å; M1-V180 HydrophobicContact CG-CG2 4.11Å; M1-Y448 HydrophobicContact SD-CE1 4.48Å | |||
| 2 | I | 94.4 | Very high | 97 | Very high | 65 Ų | 65 | 24.1 Ų | 24.1 | 33% | 0.333 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 155.9 | 177.8 | 59.9 | 168.5 | 0 | 0 | 0 | 109.9 | I4 K178 I179 P181 | I2-I4 HydrophobicContact CD1-CB 4.37Å; I2-I4 HydrophobicContact CD1-CD1 4.37Å; I2-I4 HydrophobicContact CD1-CG2 4.06Å; I2-I4 HydrophobicContact CG1-CG2 4.28Å; I2-K178 CarbonylContact O-C 3.11Å; I2-K178 WeakPolarHBondContact O-CA 3.21Å; I2-I179 HydrophobicContact CG1-CG1 3.94Å; I2-I179 PolarHBondContact N-O 3.28Å; I2-I179 PolarHBondContact O-N 3Å; I2-P181 HydrophobicContact CD1-CB 3.86Å; I2-P181 HydrophobicContact CG1-CB 4.03Å; I2-P181 HydrophobicContact CG1-CG 4.27Å; I2-P181 HydrophobicContact CG2-CG 4.18Å |
| 3 | T | 95.7 | Very high | 97.1 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 9% | 0.086 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 108.4 | 177.2 | -51.5 | 0 | 0 | 0 | 0 | 109.5 | I176 N177 I438 K439 N443 | T3-I176 HydrophobicContact CG2-CG2 3.48Å; T3-I176 VanDerWaalsContact CG2-CG2 3.48Å; T3-N177 WeakPolarHBondContact CA-O 3.35Å; T3-I438 HydrophobicContact CG2-CG2 3.89Å; T3-K439 HydrophobicContact CG2-CG 4.25Å; T3-N443 PolarHBondContact OG1-OD1 3.17Å |
| 4 | I | 96.7 | Very high | 97.3 | Very high | 38 Ų | 38 | 20.6 Ų | 20.6 | 20% | 0.195 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161.7 | -170.2 | -164.8 | 165.9 | 0 | 0 | 0 | 110.7 | I2 G8 A9 V142 I176 N177 I179 | I2-I4 HydrophobicContact CD1-CB 4.37Å; I2-I4 HydrophobicContact CD1-CD1 4.37Å; I2-I4 HydrophobicContact CD1-CG2 4.06Å; I2-I4 HydrophobicContact CG1-CG2 4.28Å; I4-G8 VanDerWaalsContact CD1-C 3.45Å; I4-A9 HydrophobicContact CG2-CB 4.07Å; I4-V142 HydrophobicContact CG2-CG1 4.46Å; I4-I176 WeakPolarHBondContact O-CA 3.34Å; I4-N177 PolarHBondContact N-O 3.1Å; I4-N177 PolarHBondContact O-N 3.24Å; I4-N177 VanDerWaalsContact O-O 3.06Å; I4-I179 HydrophobicContact CG2-CD1 3.44Å; I4-I179 VanDerWaalsContact CG2-CD1 3.44Å; I4-I179 HydrophobicContact CG2-CG1 3.77Å |
| 5 | D | 97.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 19.3 Ų | 19.3 | 13% | 0.134 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 167.8 | 171.8 | 59 | 22.7 | 0 | 0 | 0 | 113.1 | N7 G8 A9 E175 I176 | D5-N7 VanDerWaalsContact C-N 3.33Å; D5-N7 PolarHBondContact O-N 3.42Å; D5-G8 PolarHBondContact O-N 3.42Å; D5-G8 WeakPolarHBondContact OD1-CA 3.47Å; D5-G8 PolarHBondContact OD1-N 2.91Å; D5-A9 WeakPolarHBondContact O-CB 3.33Å; D5-A9 PolarHBondContact O-N 3.4Å; D5-E175 WeakPolarHBondContact CA-O 3.33Å; D5-E175 WeakPolarHBondContact CB-O 3.41Å; D5-I176 HydrophobicContact CB-CG1 4.17Å |
| 6 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | A9 V10 T172 S173 | G6-A9 PolarHBondContact O-N 3.07Å; G6-V10 VanDerWaalsContact O-CG2 3.31Å; G6-V10 WeakPolarHBondContact O-CG2 3.41Å; G6-V10 PolarHBondContact O-N 2.84Å; G6-T172 WeakPolarHBondContact CA-O 3.45Å; G6-T172 PolarHBondContact N-O 3.29Å; G6-S173 PolarHBondContact N-O 2.97Å |
| 7 | N | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.4 | -50.5 | 176.1 | -83 | -25.3 | 0 | 0 | 0 | 111.6 | D5 A9 V10 A11 P28 T31 M32 S173 H174 | D5-N7 VanDerWaalsContact C-N 3.33Å; D5-N7 PolarHBondContact O-N 3.42Å; N7-A9 VanDerWaalsContact C-N 3.32Å; N7-A9 PolarHBondContact O-N 3.26Å; N7-V10 PolarHBondContact O-N 3.21Å; N7-A11 VanDerWaalsContact O-CB 3.29Å; N7-A11 WeakPolarHBondContact O-CB 3.16Å; N7-A11 PolarHBondContact O-N 2.89Å; N7-P28 PolarHBondContact ND2-O 2.89Å; N7-T31 HydrophobicContact CB-CG2 4.11Å; N7-M32 HydrophobicContact CB-CG 3.84Å; N7-M32 WeakPolarHBondContact O-CG 3.45Å; N7-S173 PolarHBondContact N-O 2.85Å; N7-S173 WeakPolarHBondContact OD1-CB 3.26Å; N7-H174 PolarHBondContact ND2-CE1 3.38Å |
| 8 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.6 | -34.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I4 D5 S12 | I4-G8 VanDerWaalsContact CD1-C 3.45Å; D5-G8 PolarHBondContact O-N 3.42Å; D5-G8 WeakPolarHBondContact OD1-CA 3.47Å; D5-G8 PolarHBondContact OD1-N 2.91Å; G8-S12 WeakPolarHBondContact O-CB 3.4Å; G8-S12 PolarHBondContact O-N 2.76Å; G8-S12 VanDerWaalsContact O-N 3.08Å |
| 9 | A | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I4 D5 G6 N7 V142 Q146 I179 | I4-A9 HydrophobicContact CG2-CB 4.07Å; D5-A9 WeakPolarHBondContact O-CB 3.33Å; D5-A9 PolarHBondContact O-N 3.4Å; G6-A9 PolarHBondContact O-N 3.07Å; N7-A9 VanDerWaalsContact C-N 3.32Å; N7-A9 PolarHBondContact O-N 3.26Å; A9-V142 HydrophobicContact CB-CG1 4.31Å; A9-Q146 HydrophobicContact CB-CB 3.92Å; A9-Q146 HydrophobicContact CB-CG 4.38Å; A9-I179 HydrophobicContact CB-CD1 3.84Å |
| 10 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70.4 | -47.5 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | G6 N7 S12 V13 A14 M32 H106 A145 A149 F167 | G6-V10 VanDerWaalsContact O-CG2 3.31Å; G6-V10 WeakPolarHBondContact O-CG2 3.41Å; G6-V10 PolarHBondContact O-N 2.84Å; N7-V10 PolarHBondContact O-N 3.21Å; V10-S12 PolarHBondContact O-N 2.68Å; V10-V13 PolarHBondContact O-N 3.34Å; V10-V13 VanDerWaalsContact O-N 3.12Å; V10-A14 WeakPolarHBondContact O-CB 3.32Å; V10-A14 PolarHBondContact O-N 3.4Å; V10-M32 HydrophobicContact CB-SD 4Å; V10-M32 HydrophobicContact CG1-SD 3.65Å; V10-H106 HydrophobicContact CG1-CB 3.88Å; V10-A145 HydrophobicContact CG2-CB 3.73Å; V10-A145 VanDerWaalsContact CG2-O 3.31Å; V10-A145 WeakPolarHBondContact CG2-O 3.47Å; V10-A149 HydrophobicContact CG1-CB 4.29Å; V10-F167 HydrophobicContact CB-CE1 4.21Å; V10-F167 HydrophobicContact CB-CZ 4.15Å; V10-F167 HydrophobicContact CG1-CE1 4.08Å; V10-F167 HydrophobicContact CG1-CZ 4.29Å; V10-F167 HydrophobicContact CG2-CD1 4.22Å; V10-F167 HydrophobicContact CG2-CE1 3.59Å; V10-F167 HydrophobicContact CG2-CZ 3.8Å |
| 11 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -55.8 | -41 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N7 V13 A14 F15 M32 Q35 W39 | N7-A11 VanDerWaalsContact O-CB 3.29Å; N7-A11 WeakPolarHBondContact O-CB 3.16Å; N7-A11 PolarHBondContact O-N 2.89Å; A11-V13 VanDerWaalsContact C-N 3.34Å; A11-V13 PolarHBondContact O-N 3.01Å; A11-A14 PolarHBondContact O-N 3.13Å; A11-F15 WeakPolarHBondContact O-CB 3.18Å; A11-F15 PolarHBondContact O-N 3.49Å; A11-M32 HydrophobicContact CB-CB 4.01Å; A11-M32 HydrophobicContact CB-CG 4.15Å; A11-Q35 HydrophobicContact CB-CB 4.31Å; A11-W39 HydrophobicContact CB-CH2 4.03Å; A11-W39 HydrophobicContact CB-CZ3 3.92Å; A11-W39 WeakPolarHBondContact O-CZ3 3.21Å |
| 12 | S | 98.3 | Very high | 98.1 | Very high | 30 Ų | 30 | 13.3 Ų | 13.3 | 21% | 0.21 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 178.9 | 178.6 | 0 | 0 | 0 | 0 | 112.8 | G8 V10 R16 | G8-S12 WeakPolarHBondContact O-CB 3.4Å; G8-S12 PolarHBondContact O-N 2.76Å; G8-S12 VanDerWaalsContact O-N 3.08Å; V10-S12 PolarHBondContact O-N 2.68Å; S12-R16 WeakPolarHBondContact O-CB 3.48Å; S12-R16 VanDerWaalsContact O-CG 3.3Å; S12-R16 WeakPolarHBondContact O-CG 3.4Å; S12-R16 PolarHBondContact O-N 3.16Å; S12-R16 PolarHBondContact O-NE 2.88Å; S12-R16 PolarHBondContact OG-NE 3.34Å; S12-R16 PolarHBondContact OG-NH2 3.37Å |
| 13 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -73.9 | -47.3 | 178 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | V10 A11 F15 R16 T17 Q146 A149 L150 L182 | V10-V13 PolarHBondContact O-N 3.34Å; V10-V13 VanDerWaalsContact O-N 3.12Å; A11-V13 VanDerWaalsContact C-N 3.34Å; A11-V13 PolarHBondContact O-N 3.01Å; V13-F15 VanDerWaalsContact C-N 3.31Å; V13-F15 PolarHBondContact O-N 3.47Å; V13-R16 PolarHBondContact O-N 3.39Å; V13-T17 HydrophobicContact CG1-CG2 4.38Å; V13-T17 WeakPolarHBondContact O-CB 3.39Å; V13-T17 WeakPolarHBondContact O-CG2 3.37Å; V13-T17 PolarHBondContact O-N 3.47Å; V13-T17 PolarHBondContact O-OG1 2.95Å; V13-Q146 HydrophobicContact CG2-CG 3.8Å; V13-A149 HydrophobicContact CB-CB 3.86Å; V13-A149 HydrophobicContact CG1-CB 3.83Å; V13-A149 HydrophobicContact CG2-CB 4.44Å; V13-L150 HydrophobicContact CG1-CB 3.9Å; V13-L182 HydrophobicContact CG2-CD1 4.04Å |
| 14 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58 | -42.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | V10 A11 T17 S18 T78 F80 | V10-A14 WeakPolarHBondContact O-CB 3.32Å; V10-A14 PolarHBondContact O-N 3.4Å; A11-A14 PolarHBondContact O-N 3.13Å; A14-T17 PolarHBondContact O-N 2.89Å; A14-T17 PolarHBondContact O-OG1 2.94Å; A14-S18 VanDerWaalsContact O-CB 3.22Å; A14-S18 WeakPolarHBondContact O-CB 3.5Å; A14-S18 PolarHBondContact O-N 3.11Å; A14-S18 PolarHBondContact O-OG 2.91Å; A14-T78 HydrophobicContact CB-CG2 4.26Å; A14-F80 HydrophobicContact CB-CE1 3.66Å; A14-F80 HydrophobicContact CB-CZ 3.92Å |
| 15 | F | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 0% | 0.004 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -63.6 | -48 | 176.7 | -176.4 | -89.1 | 0 | 0 | 0 | 111.9 | A11 V13 T17 S18 I21 A36 W39 A40 L44 P52 | A11-F15 WeakPolarHBondContact O-CB 3.18Å; A11-F15 PolarHBondContact O-N 3.49Å; V13-F15 VanDerWaalsContact C-N 3.31Å; V13-F15 PolarHBondContact O-N 3.47Å; F15-T17 PolarHBondContact O-N 2.87Å; F15-S18 PolarHBondContact O-N 3.18Å; F15-I21 HydrophobicContact CB-CD1 4.48Å; F15-I21 HydrophobicContact CD2-CD1 3.92Å; F15-A36 HydrophobicContact CD2-CB 4.06Å; F15-A36 VanDerWaalsContact CE2-O 3.22Å; F15-A36 WeakPolarHBondContact CE2-O 3.15Å; F15-W39 HydrophobicContact CB-CE3 3.8Å; F15-W39 HydrophobicContact CB-CZ3 3.97Å; F15-W39 HydrophobicContact CD1-CB 4.49Å; F15-W39 HydrophobicContact CD1-CE3 4.18Å; F15-W39 HydrophobicContact CD2-CB 4.19Å; F15-W39 AromaticContact CD2-CE3 3.97Å; F15-W39 HydrophobicContact CD2-CE3 3.97Å; F15-W39 HydrophobicContact CE1-CB 4.04Å; F15-W39 HydrophobicContact CE2-CB 3.69Å; F15-W39 AromaticContact CG-CE3 3.72Å; F15-W39 HydrophobicContact CG-CE3 3.72Å; F15-W39 HydrophobicContact CG-CZ3 4.39Å; F15-W39 HydrophobicContact CZ-CB 3.6Å; F15-A40 HydrophobicContact CE2-CB 3.98Å; F15-A40 HydrophobicContact CZ-CB 4.4Å; F15-L44 HydrophobicContact CD1-CD2 4.26Å; F15-L44 HydrophobicContact CE1-CB 3.93Å; F15-L44 HydrophobicContact CE1-CD2 3.88Å; F15-L44 HydrophobicContact CE1-CG 3.93Å; F15-L44 HydrophobicContact CZ-CB 4.13Å; F15-P52 HydrophobicContact CD1-CG 4.11Å; F15-P52 HydrophobicContact CD2-CB 4.35Å; F15-P52 HydrophobicContact CD2-CG 4.07Å; F15-P52 HydrophobicContact CE1-CG 3.85Å; F15-P52 HydrophobicContact CE2-CB 4.07Å; F15-P52 HydrophobicContact CE2-CG 3.82Å; F15-P52 HydrophobicContact CG-CG 4.23Å; F15-P52 HydrophobicContact CZ-CB 4.37Å; F15-P52 VanDerWaalsContact CZ-CD 3.47Å; F15-P52 HydrophobicContact CZ-CG 3.71Å; F15-P52 WeakPolarHBondContact O-CG 3.27Å |
| 16 | R | 98.4 | Very high | 98.4 | Very high | 27 Ų | 27 | 7.7 Ų | 7.7 | 10% | 0.102 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -70.7 | -16.3 | -177 | -74.2 | -176.8 | -71.4 | 169.2 | -0.3 | 113.9 | S12 V13 N46 V47 L182 D184 | S12-R16 WeakPolarHBondContact O-CB 3.48Å; S12-R16 VanDerWaalsContact O-CG 3.3Å; S12-R16 WeakPolarHBondContact O-CG 3.4Å; S12-R16 PolarHBondContact O-N 3.16Å; S12-R16 PolarHBondContact O-NE 2.88Å; S12-R16 PolarHBondContact OG-NE 3.34Å; S12-R16 PolarHBondContact OG-NH2 3.37Å; V13-R16 PolarHBondContact O-N 3.39Å; R16-N46 WeakPolarHBondContact O-CB 3.5Å; R16-V47 HydrophobicContact CB-CG1 4.13Å; R16-V47 WeakPolarHBondContact O-CG2 3.34Å; R16-V47 PolarHBondContact O-N 3.19Å; R16-V47 VanDerWaalsContact O-N 3.07Å; R16-L182 PolarHBondContact NH1-O 3.44Å; R16-D184 WeakPolarHBondContact CD-OD1 3.49Å; R16-D184 IonicContact CZ-OD1 2.75Å; R16-D184 IonicContact NE-OD1 3.07Å; R16-D184 IonicContact NH1-OD1 3.88Å; R16-D184 PolarHBondContact NH1-OD1 3.16Å |
| 17 | T | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.012 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 8.6 | -177.8 | 56.7 | 0 | 0 | 0 | 0 | 114.1 | V13 A14 F15 W48 L150 I187 M191 | V13-T17 HydrophobicContact CG1-CG2 4.38Å; V13-T17 WeakPolarHBondContact O-CB 3.39Å; V13-T17 WeakPolarHBondContact O-CG2 3.37Å; V13-T17 PolarHBondContact O-N 3.47Å; V13-T17 PolarHBondContact O-OG1 2.95Å; A14-T17 PolarHBondContact O-N 2.89Å; A14-T17 PolarHBondContact O-OG1 2.94Å; F15-T17 PolarHBondContact O-N 2.87Å; T17-W48 WeakPolarHBondContact O-CH2 3.44Å; T17-L150 HydrophobicContact CG2-CD1 4.17Å; T17-I187 HydrophobicContact CG2-CG2 3.6Å; T17-M191 HydrophobicContact CG2-SD 3.99Å |
| 18 | S | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.014 | 5% | 0.051 | C | C | . | . | trans | -123.2 | 156.9 | -178.7 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | A14 F15 N46 P52 T78 | A14-S18 VanDerWaalsContact O-CB 3.22Å; A14-S18 WeakPolarHBondContact O-CB 3.5Å; A14-S18 PolarHBondContact O-N 3.11Å; A14-S18 PolarHBondContact O-OG 2.91Å; F15-S18 PolarHBondContact O-N 3.18Å; S18-N46 PolarHBondContact O-ND2 3.31Å; S18-N46 VanDerWaalsContact O-ND2 3.13Å; S18-P52 WeakPolarHBondContact O-CG 3.02Å; S18-T78 VanDerWaalsContact OG-CG2 3.26Å; S18-T78 WeakPolarHBondContact OG-CG2 3.29Å | ||
| 19 | E | 98.5 | Very high | 98.2 | Very high | 45 Ų | 45 | 9.3 Ų | 9.3 | 21% | 0.21 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -105.9 | -35 | 173.6 | -65.5 | 167.4 | 130.8 | 0 | 0 | 111 | P52 R53 A75 L76 R200 | E19-P52 CarbonylContact O-C 3.51Å; E19-P52 WeakPolarHBondContact O-CA 3.39Å; E19-R53 PolarHBondContact O-N 3.08Å; E19-A75 VanDerWaalsContact OE2-CA 3.31Å; E19-A75 WeakPolarHBondContact OE2-CA 3.38Å; E19-L76 HydrophobicContact CG-CB 4.46Å; E19-L76 PolarHBondContact N-O 2.56Å; E19-L76 PolarHBondContact OE2-N 3.4Å; E19-R200 IonicContact OE1-CZ 3.72Å; E19-R200 IonicContact OE1-NH2 2.76Å; E19-R200 PolarHBondContact OE1-NH2 3.24Å |
| 20 | V | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 9.5 Ų | 9.5 | 18% | 0.182 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.9 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | R53 A70 A75 L76 S77 T78 | V20-R53 WeakPolarHBondContact CA-O 3.19Å; V20-A70 HydrophobicContact CB-CB 4.24Å; V20-A70 HydrophobicContact CG1-CB 4.11Å; V20-A70 HydrophobicContact CG2-CB 4.4Å; V20-A75 HydrophobicContact CG2-CB 4.03Å; V20-L76 PolarHBondContact N-O 3.29Å; V20-L76 VanDerWaalsContact N-O 3.12Å; V20-S77 WeakPolarHBondContact O-CA 3.32Å; V20-S77 WeakPolarHBondContact O-CB 3.47Å; V20-T78 PolarHBondContact O-N 3.21Å |
| 21 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 109.9 | 179.6 | -47.6 | -178.5 | 0 | 0 | 0 | 107.9 | F15 I23 A36 P52 R53 V54 V55 T78 F80 | F15-I21 HydrophobicContact CB-CD1 4.48Å; F15-I21 HydrophobicContact CD2-CD1 3.92Å; I21-I23 HydrophobicContact CG2-CG2 3.81Å; I21-A36 HydrophobicContact CD1-CB 4.17Å; I21-P52 HydrophobicContact CD1-CB 4.08Å; I21-P52 HydrophobicContact CG1-CB 4.36Å; I21-R53 PolarHBondContact N-O 2.89Å; I21-V54 HydrophobicContact CB-CG2 4.16Å; I21-V54 HydrophobicContact CD1-CG2 4.23Å; I21-V54 HydrophobicContact CG1-CG2 4.49Å; I21-V54 CarbonylContact O-C 3.58Å; I21-V54 VanDerWaalsContact O-CA 3.29Å; I21-V54 WeakPolarHBondContact O-CA 3.42Å; I21-V55 PolarHBondContact O-N 3.39Å; I21-T78 HydrophobicContact CB-CG2 4.5Å; I21-T78 HydrophobicContact CG1-CG2 4.09Å; I21-T78 HydrophobicContact CG2-CG2 4.02Å; I21-F80 HydrophobicContact CG2-CD2 4.37Å; I21-F80 HydrophobicContact CG2-CE2 3.59Å; I21-F80 HydrophobicContact CG2-CZ 4.11Å |
| 22 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V55 A63 T66 V67 T78 S79 | A22-V55 WeakPolarHBondContact CA-O 3.47Å; A22-V55 HydrophobicContact CB-CG1 3.99Å; A22-A63 HydrophobicContact CB-CB 4.46Å; A22-A63 WeakPolarHBondContact CB-O 3.33Å; A22-T66 HydrophobicContact CB-CG2 3.77Å; A22-V67 HydrophobicContact CB-CG2 3.92Å; A22-T78 PolarHBondContact N-O 2.86Å; A22-S79 VanDerWaalsContact O-CB 3.24Å; A22-S79 WeakPolarHBondContact O-CB 3.26Å; A22-S79 PolarHBondContact O-OG 2.99Å |
| 23 | I | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156.9 | -167.1 | 57.2 | 168.2 | 0 | 0 | 0 | 112.4 | I21 A33 V54 V55 E56 M57 F80 F1013 | I21-I23 HydrophobicContact CG2-CG2 3.81Å; I23-A33 HydrophobicContact CB-CB 3.84Å; I23-A33 HydrophobicContact CD1-CB 3.91Å; I23-A33 HydrophobicContact CG1-CB 4.48Å; I23-A33 HydrophobicContact CG2-CB 3.77Å; I23-V54 HydrophobicContact CD1-CG1 3.59Å; I23-V54 HydrophobicContact CG1-CG1 4.04Å; I23-V54 HydrophobicContact CG2-CG1 4.47Å; I23-V55 WeakPolarHBondContact CG1-O 3.33Å; I23-V55 PolarHBondContact N-O 3.27Å; I23-E56 HydrophobicContact CG1-CB 4.34Å; I23-E56 WeakPolarHBondContact O-CA 3.43Å; I23-M57 PolarHBondContact O-N 2.65Å; I23-F80 HydrophobicContact CG2-CD2 3.78Å; I23-F80 HydrophobicContact CG2-CE2 4.12Å; I23-F1013 HydrophobicContact CD1-CD1 3.48Å; I23-F1013 VanDerWaalsContact CD1-CD1 3.48Å; I23-F1013 HydrophobicContact CD1-CD2 4.47Å; I23-F1013 HydrophobicContact CD1-CE1 3.38Å; I23-F1013 HydrophobicContact CD1-CE2 4.34Å; I23-F1013 HydrophobicContact CD1-CG 4.07Å; I23-F1013 HydrophobicContact CD1-CZ 3.85Å |
| 24 | Y | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.008 | 6% | 0.06 | C | C | . | . | trans | -148.1 | 141.5 | 162.8 | -168.8 | -99.3 | 0 | 0 | 0 | 108.2 | M57 Q58 E60 F876 I969 Y994 | Y24-M57 VanDerWaalsContact CD2-O 3.25Å; Y24-M57 WeakPolarHBondContact CD2-O 3.2Å; Y24-Q58 WeakPolarHBondContact CE2-O 3.49Å; Y24-E60 HydrophobicContact CD1-CG 4.16Å; Y24-E60 WeakPolarHBondContact CD1-OE1 3.49Å; Y24-E60 WeakPolarHBondContact CD1-OE2 3.41Å; Y24-E60 HydrophobicContact CG-CG 4.48Å; Y24-F876 HydrophobicContact CE1-CE1 4.15Å; Y24-F876 WeakPolarHBondContact OH-CE1 3.07Å; Y24-I969 HydrophobicContact CE1-CD1 4Å; Y24-Y994 HydrophobicContact CE1-CE2 4.47Å; Y24-Y994 AromaticContact CE2-CE2 3.85Å; Y24-Y994 HydrophobicContact CE2-CE2 3.85Å; Y24-Y994 AromaticContact CZ-CE2 3.67Å; Y24-Y994 VanDerWaalsContact OH-CE2 3.32Å; Y24-Y994 WeakPolarHBondContact OH-CE2 3.23Å; Y24-Y994 PolarHBondContact OH-OH 3.16Å | ||
| 25 | P | 97.1 | Very high | 97.5 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 3% | 0.032 | 7% | 0.07 | C | C | . | . | trans | -81.3 | 123 | -174.1 | 30.9 | -32.9 | 0 | 0 | 0 | 112.6 | Y994 Q1000 F1013 | P25-Y994 HydrophobicContact CG-CD2 3.5Å; P25-Y994 VanDerWaalsContact CG-CD2 3.5Å; P25-Y994 HydrophobicContact CG-CE2 3.69Å; P25-Q1000 HydrophobicContact CB-CB 4.46Å; P25-Q1000 HydrophobicContact CB-CG 3.77Å; P25-Q1000 HydrophobicContact CG-CB 4.12Å; P25-Q1000 HydrophobicContact CG-CG 3.98Å; P25-F1013 HydrophobicContact CB-CE2 3.78Å; P25-F1013 HydrophobicContact CB-CZ 4.07Å; P25-F1013 HydrophobicContact CG-CE2 3.79Å | ||
| 26 | I | 97.7 | Very high | 97.5 | Very high | 16 Ų | 16 | 13.4 Ų | 13.4 | 8% | 0.082 | 7% | 0.07 | C | C | . | . | trans | -144.4 | 124.5 | 167.9 | -174.8 | 159.6 | 0 | 0 | 0 | 110.9 | S29 S30 E60 S82 Q84 | I26-S29 WeakPolarHBondContact CG2-OG 3.46Å; I26-S29 WeakPolarHBondContact O-CA 3.25Å; I26-S29 PolarHBondContact O-N 3.27Å; I26-S29 PolarHBondContact O-OG 3.05Å; I26-S30 PolarHBondContact N-OG 3.38Å; I26-S30 PolarHBondContact O-N 3.3Å; I26-S30 PolarHBondContact O-OG 3.26Å; I26-E60 WeakPolarHBondContact CB-OE1 3.37Å; I26-E60 WeakPolarHBondContact CG2-OE1 3.26Å; I26-S82 WeakPolarHBondContact CD1-O 3.31Å; I26-Q84 HydrophobicContact CD1-CB 4.34Å | ||
| 27 | T | 95.4 | Very high | 97.3 | Very high | 32 Ų | 32 | 13.3 Ų | 13.3 | 20% | 0.196 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 138.5 | 174.7 | -52.7 | 0 | 0 | 0 | 0 | 110 | S30 R110 I119 F170 | T27-S30 PolarHBondContact N-OG 3.11Å; T27-R110 WeakPolarHBondContact O-CD 3.48Å; T27-R110 PolarHBondContact O-NH1 3.37Å; T27-I119 HydrophobicContact CG2-CB 4.21Å; T27-I119 HydrophobicContact CG2-CD1 4.35Å; T27-F170 HydrophobicContact CG2-CE2 3.97Å; T27-F170 HydrophobicContact CG2-CZ 3.78Å |
| 28 | P | 96.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.013 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.1 | 5.8 | -1.4 | 33.2 | -31.1 | 0 | 0 | 0 | 115.2 | N7 A108 F170 H174 | N7-P28 PolarHBondContact ND2-O 2.89Å; P28-A108 HydrophobicContact CG-CB 3.9Å; P28-F170 HydrophobicContact CB-CD2 3.94Å; P28-F170 HydrophobicContact CB-CE2 3.75Å; P28-F170 HydrophobicContact CB-CZ 4.29Å; P28-F170 HydrophobicContact CG-CD2 4.08Å; P28-F170 HydrophobicContact CG-CE2 4.15Å; P28-H174 VanDerWaalsContact CB-CE1 3.47Å; P28-H174 WeakPolarHBondContact CB-CE1 3.48Å; P28-H174 PolarHBondContact O-CE1 3.06Å |
| 29 | S | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -18.2 | -179.1 | 68.3 | 0 | 0 | 0 | 0 | 115.4 | I26 T31 M32 T81 S82 | I26-S29 WeakPolarHBondContact CG2-OG 3.46Å; I26-S29 WeakPolarHBondContact O-CA 3.25Å; I26-S29 PolarHBondContact O-N 3.27Å; I26-S29 PolarHBondContact O-OG 3.05Å; S29-T31 PolarHBondContact O-N 3.04Å; S29-M32 WeakPolarHBondContact O-CB 3.27Å; S29-M32 PolarHBondContact O-N 3.03Å; S29-T81 WeakPolarHBondContact CB-O 3.43Å; S29-T81 WeakPolarHBondContact OG-CA 3.18Å; S29-S82 VanDerWaalsContact CB-OG 3.23Å; S29-S82 WeakPolarHBondContact CB-OG 3.47Å; S29-S82 PolarHBondContact OG-OG 2.84Å |
| 30 | S | 95.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 16 Ų | 16 | 4% | 0.035 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -49.3 | -39 | -174.2 | -54.2 | 0 | 0 | 0 | 0 | 113.9 | I26 T27 M32 A33 E34 | I26-S30 PolarHBondContact N-OG 3.38Å; I26-S30 PolarHBondContact O-N 3.3Å; I26-S30 PolarHBondContact O-OG 3.26Å; T27-S30 PolarHBondContact N-OG 3.11Å; S30-M32 PolarHBondContact O-N 2.87Å; S30-M32 VanDerWaalsContact O-N 3.17Å; S30-A33 WeakPolarHBondContact O-CB 3.41Å; S30-A33 PolarHBondContact O-N 3.32Å; S30-A33 VanDerWaalsContact O-N 3.08Å; S30-E34 WeakPolarHBondContact O-CG 3.36Å; S30-E34 PolarHBondContact O-N 2.99Å |
| 31 | T | 95.5 | Very high | 96.5 | Very high | 32 Ų | 32 | 16.1 Ų | 16.1 | 20% | 0.196 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.4 | -32.8 | 179.6 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | N7 S29 Q35 | N7-T31 HydrophobicContact CB-CG2 4.11Å; S29-T31 PolarHBondContact O-N 3.04Å; T31-Q35 HydrophobicContact CG2-CG 4.42Å; T31-Q35 WeakPolarHBondContact O-CB 3.49Å; T31-Q35 VanDerWaalsContact O-CG 3.29Å; T31-Q35 WeakPolarHBondContact O-CG 3.36Å; T31-Q35 PolarHBondContact O-N 3.14Å |
| 32 | M | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.6 | -47.8 | 176.1 | -67 | -173.6 | -85.1 | 0 | 0 | 111.6 | N7 V10 A11 S29 S30 E34 Q35 A36 F80 H106 A108 F167 | N7-M32 HydrophobicContact CB-CG 3.84Å; N7-M32 WeakPolarHBondContact O-CG 3.45Å; V10-M32 HydrophobicContact CB-SD 4Å; V10-M32 HydrophobicContact CG1-SD 3.65Å; A11-M32 HydrophobicContact CB-CB 4.01Å; A11-M32 HydrophobicContact CB-CG 4.15Å; S29-M32 WeakPolarHBondContact O-CB 3.27Å; S29-M32 PolarHBondContact O-N 3.03Å; S30-M32 PolarHBondContact O-N 2.87Å; S30-M32 VanDerWaalsContact O-N 3.17Å; M32-E34 VanDerWaalsContact C-N 3.34Å; M32-E34 PolarHBondContact O-N 3.44Å; M32-Q35 PolarHBondContact O-N 3.5Å; M32-A36 WeakPolarHBondContact O-CB 3.27Å; M32-A36 PolarHBondContact O-N 3.12Å; M32-F80 HydrophobicContact CB-CB 4.02Å; M32-F80 HydrophobicContact CB-CD1 3.55Å; M32-F80 HydrophobicContact CB-CD2 3.97Å; M32-F80 HydrophobicContact CB-CE1 3.99Å; M32-F80 HydrophobicContact CB-CE2 4.33Å; M32-F80 HydrophobicContact CB-CG 3.57Å; M32-F80 HydrophobicContact CB-CZ 4.36Å; M32-F80 HydrophobicContact CE-CB 4.11Å; M32-F80 HydrophobicContact CE-CD1 4.27Å; M32-F80 HydrophobicContact CG-CD1 4.21Å; M32-F80 HydrophobicContact SD-CD1 3.67Å; M32-F80 HydrophobicContact SD-CE1 4.29Å; M32-F80 HydrophobicContact SD-CG 4.38Å; M32-H106 HydrophobicContact SD-CB 4.24Å; M32-A108 HydrophobicContact CE-CB 4.24Å; M32-F167 HydrophobicContact CE-CZ 3.88Å; M32-F167 HydrophobicContact SD-CZ 3.84Å |
| 33 | A | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I23 S30 Q35 A36 D37 F80 F1013 | I23-A33 HydrophobicContact CB-CB 3.84Å; I23-A33 HydrophobicContact CD1-CB 3.91Å; I23-A33 HydrophobicContact CG1-CB 4.48Å; I23-A33 HydrophobicContact CG2-CB 3.77Å; S30-A33 WeakPolarHBondContact O-CB 3.41Å; S30-A33 PolarHBondContact O-N 3.32Å; S30-A33 VanDerWaalsContact O-N 3.08Å; A33-Q35 PolarHBondContact O-N 2.77Å; A33-A36 PolarHBondContact O-N 3.45Å; A33-D37 WeakPolarHBondContact O-CB 3.49Å; A33-D37 PolarHBondContact O-N 3.27Å; A33-F80 HydrophobicContact CB-CD2 3.98Å; A33-F1013 HydrophobicContact CB-CE1 3.82Å; A33-F1013 HydrophobicContact CB-CZ 3.82Å |
| 34 | E | 95.3 | Very high | 95.9 | Very high | 32 Ų | 32 | 27.4 Ų | 27.4 | 15% | 0.15 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | -179.5 | -68.4 | 168.7 | -173.8 | 0 | 0 | 112 | S30 M32 A38 Q1000 K1012 F1013 | S30-E34 WeakPolarHBondContact O-CG 3.36Å; S30-E34 PolarHBondContact O-N 2.99Å; M32-E34 VanDerWaalsContact C-N 3.34Å; M32-E34 PolarHBondContact O-N 3.44Å; E34-A38 WeakPolarHBondContact O-CB 3.17Å; E34-A38 PolarHBondContact O-N 3.46Å; E34-Q1000 PolarHBondContact OE1-NE2 3.4Å; E34-K1012 HydrophobicContact CG-CB 4.4Å; E34-K1012 HydrophobicContact CG-CD 3.76Å; E34-K1012 WeakPolarHBondContact OE1-CD 3.33Å; E34-K1012 IonicContact OE1-NZ 3.51Å; E34-K1012 PolarHBondContact OE1-NZ 3.27Å; E34-K1012 WeakPolarHBondContact OE2-CE 3.28Å; E34-K1012 IonicContact OE2-NZ 3.62Å; E34-K1012 PolarHBondContact OE2-NZ 2.99Å; E34-F1013 HydrophobicContact CB-CE1 4.5Å; E34-F1013 HydrophobicContact CG-CE1 3.98Å; E34-F1013 HydrophobicContact CG-CZ 4.26Å |
| 35 | Q | 96 | Very high | 95.8 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 22% | 0.22 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.1 | -43.9 | 177.4 | -72.4 | -177.8 | 19 | 0 | 0 | 111.7 | A11 T31 M32 A33 D37 A38 W39 | A11-Q35 HydrophobicContact CB-CB 4.31Å; T31-Q35 HydrophobicContact CG2-CG 4.42Å; T31-Q35 WeakPolarHBondContact O-CB 3.49Å; T31-Q35 VanDerWaalsContact O-CG 3.29Å; T31-Q35 WeakPolarHBondContact O-CG 3.36Å; T31-Q35 PolarHBondContact O-N 3.14Å; M32-Q35 PolarHBondContact O-N 3.5Å; A33-Q35 PolarHBondContact O-N 2.77Å; Q35-D37 VanDerWaalsContact C-N 3.34Å; Q35-D37 PolarHBondContact O-N 2.91Å; Q35-A38 PolarHBondContact O-N 3.43Å; Q35-W39 HydrophobicContact CB-CD2 4.44Å; Q35-W39 HydrophobicContact CB-CE3 4.37Å; Q35-W39 HydrophobicContact CB-CH2 3.82Å; Q35-W39 HydrophobicContact CB-CZ2 3.91Å; Q35-W39 HydrophobicContact CB-CZ3 4.06Å; Q35-W39 HydrophobicContact CG-CZ2 4.4Å; Q35-W39 WeakPolarHBondContact O-CB 3.45Å; Q35-W39 PolarHBondContact O-N 2.84Å; Q35-W39 VanDerWaalsContact OE1-CH2 3.29Å |
| 36 | A | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F15 I21 M32 A33 W39 A40 V54 F80 | F15-A36 HydrophobicContact CD2-CB 4.06Å; F15-A36 VanDerWaalsContact CE2-O 3.22Å; F15-A36 WeakPolarHBondContact CE2-O 3.15Å; I21-A36 HydrophobicContact CD1-CB 4.17Å; M32-A36 WeakPolarHBondContact O-CB 3.27Å; M32-A36 PolarHBondContact O-N 3.12Å; A33-A36 PolarHBondContact O-N 3.45Å; A36-W39 PolarHBondContact O-N 3.34Å; A36-A40 PolarHBondContact O-N 3.48Å; A36-V54 HydrophobicContact CB-CG2 4.38Å; A36-F80 HydrophobicContact CB-CE2 3.91Å; A36-F80 HydrophobicContact CB-CZ 4.32Å |
| 37 | D | 95.5 | Very high | 95.9 | Very high | 25 Ų | 25 | 32.6 Ų | 32.6 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 176.9 | -177.1 | 76.3 | 0 | 0 | 0 | 112.3 | A33 Q35 W39 A40 G41 V54 F1013 | A33-D37 WeakPolarHBondContact O-CB 3.49Å; A33-D37 PolarHBondContact O-N 3.27Å; Q35-D37 VanDerWaalsContact C-N 3.34Å; Q35-D37 PolarHBondContact O-N 2.91Å; D37-W39 VanDerWaalsContact C-N 3.29Å; D37-W39 PolarHBondContact O-N 3.4Å; D37-A40 PolarHBondContact O-N 2.92Å; D37-G41 PolarHBondContact O-N 3.02Å; D37-V54 HydrophobicContact CB-CG1 4.01Å; D37-F1013 HydrophobicContact CB-CD1 3.86Å; D37-F1013 WeakPolarHBondContact OD2-CA 3.44Å; D37-F1013 PolarHBondContact OD2-N 2.8Å |
| 38 | A | 93.4 | Very high | 96 | Very high | 24 Ų | 24 | 34 Ų | 34 | 20% | 0.198 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E34 Q35 N42 | E34-A38 WeakPolarHBondContact O-CB 3.17Å; E34-A38 PolarHBondContact O-N 3.46Å; Q35-A38 PolarHBondContact O-N 3.43Å; A38-N42 WeakPolarHBondContact O-CB 3.3Å; A38-N42 PolarHBondContact O-N 3.31Å; A38-N42 VanDerWaalsContact O-N 3.11Å; A38-N42 PolarHBondContact O-ND2 2.94Å |
| 39 | W | 96.5 | Very high | 96 | Very high | 64 Ų | 64 | 36 Ų | 36 | 24% | 0.242 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69 | -41.9 | 176 | -66.8 | -28.2 | 0 | 0 | 0 | 112.6 | A11 F15 Q35 A36 D37 N42 G43 L44 | A11-W39 HydrophobicContact CB-CH2 4.03Å; A11-W39 HydrophobicContact CB-CZ3 3.92Å; A11-W39 WeakPolarHBondContact O-CZ3 3.21Å; F15-W39 HydrophobicContact CB-CE3 3.8Å; F15-W39 HydrophobicContact CB-CZ3 3.97Å; F15-W39 HydrophobicContact CD1-CB 4.49Å; F15-W39 HydrophobicContact CD1-CE3 4.18Å; F15-W39 HydrophobicContact CD2-CB 4.19Å; F15-W39 AromaticContact CD2-CE3 3.97Å; F15-W39 HydrophobicContact CD2-CE3 3.97Å; F15-W39 HydrophobicContact CE1-CB 4.04Å; F15-W39 HydrophobicContact CE2-CB 3.69Å; F15-W39 AromaticContact CG-CE3 3.72Å; F15-W39 HydrophobicContact CG-CE3 3.72Å; F15-W39 HydrophobicContact CG-CZ3 4.39Å; F15-W39 HydrophobicContact CZ-CB 3.6Å; Q35-W39 HydrophobicContact CB-CD2 4.44Å; Q35-W39 HydrophobicContact CB-CE3 4.37Å; Q35-W39 HydrophobicContact CB-CH2 3.82Å; Q35-W39 HydrophobicContact CB-CZ2 3.91Å; Q35-W39 HydrophobicContact CB-CZ3 4.06Å; Q35-W39 HydrophobicContact CG-CZ2 4.4Å; Q35-W39 WeakPolarHBondContact O-CB 3.45Å; Q35-W39 PolarHBondContact O-N 2.84Å; Q35-W39 VanDerWaalsContact OE1-CH2 3.29Å; A36-W39 PolarHBondContact O-N 3.34Å; D37-W39 VanDerWaalsContact C-N 3.29Å; D37-W39 PolarHBondContact O-N 3.4Å; W39-N42 PolarHBondContact O-N 3.13Å; W39-G43 PolarHBondContact O-N 3.26Å; W39-L44 HydrophobicContact CB-CB 3.98Å; W39-L44 HydrophobicContact CB-CD2 3.78Å; W39-L44 HydrophobicContact CD2-CD2 4.14Å; W39-L44 HydrophobicContact CG-CD2 3.7Å; W39-L44 WeakPolarHBondContact O-CB 3.37Å; W39-L44 PolarHBondContact O-N 3.34Å |
| 40 | A | 96 | Very high | 95.9 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | F15 A36 D37 N42 G43 T51 P52 V54 | F15-A40 HydrophobicContact CE2-CB 3.98Å; F15-A40 HydrophobicContact CZ-CB 4.4Å; A36-A40 PolarHBondContact O-N 3.48Å; D37-A40 PolarHBondContact O-N 2.92Å; A40-N42 VanDerWaalsContact C-N 3.3Å; A40-N42 PolarHBondContact O-N 3.09Å; A40-G43 PolarHBondContact O-N 3.47Å; A40-T51 HydrophobicContact CB-CG2 4.24Å; A40-T51 WeakPolarHBondContact O-CG2 3.42Å; A40-P52 WeakPolarHBondContact CB-O 3.47Å; A40-V54 HydrophobicContact CB-CB 4.3Å; A40-V54 HydrophobicContact CB-CG2 3.61Å |
| 41 | G | 91.1 | Very high | 96 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.7 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | D37 G43 H1016 | D37-G41 PolarHBondContact O-N 3.02Å; G41-G43 PolarHBondContact O-N 3.16Å; G41-H1016 WeakPolarHBondContact CA-NE2 3.26Å; G41-H1016 PolarHBondContact O-NE2 3.34Å |
| 42 | N | 91.2 | Very high | 96.2 | Very high | 122 Ų | 122 | 41.2 Ų | 41.2 | 65% | 0.652 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 4.1 | 176.2 | -68.8 | -48.4 | 0 | 0 | 0 | 114.1 | A38 W39 A40 L44 | A38-N42 WeakPolarHBondContact O-CB 3.3Å; A38-N42 PolarHBondContact O-N 3.31Å; A38-N42 VanDerWaalsContact O-N 3.11Å; A38-N42 PolarHBondContact O-ND2 2.94Å; W39-N42 PolarHBondContact O-N 3.13Å; A40-N42 VanDerWaalsContact C-N 3.3Å; A40-N42 PolarHBondContact O-N 3.09Å; N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 2.97Å |
| 43 | G | 94.3 | Very high | 96.1 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 18.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | W39 A40 G41 K45 T51 | W39-G43 PolarHBondContact O-N 3.26Å; A40-G43 PolarHBondContact O-N 3.47Å; G41-G43 PolarHBondContact O-N 3.16Å; G43-K45 WeakPolarHBondContact O-CD 3.43Å; G43-K45 PolarHBondContact O-N 2.82Å; G43-T51 PolarHBondContact O-OG1 2.96Å |
| 44 | L | 96.5 | Very high | 96.1 | Very high | 82 Ų | 82 | 50.5 Ų | 50.5 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | trans | -58.5 | 139.4 | 174.9 | -171.4 | 65.8 | 0 | 0 | 0 | 109.6 | F15 W39 N42 T51 | F15-L44 HydrophobicContact CD1-CD2 4.26Å; F15-L44 HydrophobicContact CE1-CB 3.93Å; F15-L44 HydrophobicContact CE1-CD2 3.88Å; F15-L44 HydrophobicContact CE1-CG 3.93Å; F15-L44 HydrophobicContact CZ-CB 4.13Å; W39-L44 HydrophobicContact CB-CB 3.98Å; W39-L44 HydrophobicContact CB-CD2 3.78Å; W39-L44 HydrophobicContact CD2-CD2 4.14Å; W39-L44 HydrophobicContact CG-CD2 3.7Å; W39-L44 WeakPolarHBondContact O-CB 3.37Å; W39-L44 PolarHBondContact O-N 3.34Å; N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 2.97Å; L44-T51 PolarHBondContact O-OG1 2.9Å | ||
| 45 | K | 98 | Very high | 96.2 | Very high | 106 Ų | 106 | 51.2 Ų | 51.2 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | trans | -95.4 | 147.8 | -177.6 | -55.7 | -51.2 | -171 | 171 | 0 | 111.2 | G43 G49 D50 T51 | G43-K45 WeakPolarHBondContact O-CD 3.43Å; G43-K45 PolarHBondContact O-N 2.82Å; K45-G49 VanDerWaalsContact CD-O 3.28Å; K45-G49 WeakPolarHBondContact CD-O 3.32Å; K45-D50 CarbonylContact C-O 3.59Å; K45-D50 VanDerWaalsContact CA-O 3.29Å; K45-D50 WeakPolarHBondContact CA-O 3.49Å; K45-T51 VanDerWaalsContact CD-OG1 3.31Å; K45-T51 WeakPolarHBondContact CD-OG1 3.27Å; K45-T51 WeakPolarHBondContact CE-OG1 3.3Å; K45-T51 PolarHBondContact NZ-OG1 2.97Å | ||
| 46 | N | 98.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | trans | -76.5 | 179.2 | 163.9 | 67.7 | 16.6 | 0 | 0 | 0 | 110.3 | R16 S18 W48 G49 D50 P52 | R16-N46 WeakPolarHBondContact O-CB 3.5Å; S18-N46 PolarHBondContact O-ND2 3.31Å; S18-N46 VanDerWaalsContact O-ND2 3.13Å; N46-W48 HydrophobicContact CB-CE3 4.42Å; N46-W48 PolarHBondContact O-N 2.92Å; N46-W48 VanDerWaalsContact O-N 3.11Å; N46-W48 PolarHBondContact OD1-N 3.23Å; N46-W48 VanDerWaalsContact OD1-N 3.08Å; N46-G49 PolarHBondContact O-N 3.01Å; N46-G49 PolarHBondContact OD1-N 3.27Å; N46-D50 PolarHBondContact N-O 3.34Å; N46-D50 PolarHBondContact OD1-N 3.45Å; N46-D50 PolarHBondContact OD1-O 2.68Å; N46-P52 HydrophobicContact CB-CG 4.01Å | ||
| 47 | V | 97.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.3 | -176.8 | -59.7 | 0 | 0 | 0 | 0 | 114.3 | R16 D184 I187 L188 | R16-V47 HydrophobicContact CB-CG1 4.13Å; R16-V47 WeakPolarHBondContact O-CG2 3.34Å; R16-V47 PolarHBondContact O-N 3.19Å; R16-V47 VanDerWaalsContact O-N 3.07Å; V47-D184 HydrophobicContact CG1-CB 4.42Å; V47-I187 HydrophobicContact CG1-CB 3.99Å; V47-I187 HydrophobicContact CG1-CG2 3.65Å; V47-I187 HydrophobicContact CG2-CG2 4.41Å; V47-L188 HydrophobicContact CB-CB 4.35Å; V47-L188 HydrophobicContact CB-CD1 4.26Å; V47-L188 HydrophobicContact CG2-CD1 3.99Å |
| 48 | W | 96.9 | Very high | 96.3 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 24% | 0.235 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1.2 | 176.1 | -56.1 | -73.2 | 0 | 0 | 0 | 113.5 | T17 N46 L76 M191 I196 | T17-W48 WeakPolarHBondContact O-CH2 3.44Å; N46-W48 HydrophobicContact CB-CE3 4.42Å; N46-W48 PolarHBondContact O-N 2.92Å; N46-W48 VanDerWaalsContact O-N 3.11Å; N46-W48 PolarHBondContact OD1-N 3.23Å; N46-W48 VanDerWaalsContact OD1-N 3.08Å; W48-L76 HydrophobicContact CH2-CD1 3.41Å; W48-L76 VanDerWaalsContact CH2-CD1 3.41Å; W48-L76 HydrophobicContact CZ2-CD1 3.93Å; W48-L76 HydrophobicContact CZ3-CD1 4.05Å; W48-M191 HydrophobicContact CH2-CE 4.05Å; W48-M191 HydrophobicContact CZ2-CE 3.98Å; W48-M191 HydrophobicContact CZ2-CG 4.33Å; W48-I196 HydrophobicContact CZ2-CD1 3.9Å |
| 49 | G | 96.9 | Very high | 96.6 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 91.8 | 4.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K45 N46 | K45-G49 VanDerWaalsContact CD-O 3.28Å; K45-G49 WeakPolarHBondContact CD-O 3.32Å; N46-G49 PolarHBondContact O-N 3.01Å; N46-G49 PolarHBondContact OD1-N 3.27Å |
| 50 | D | 97.3 | Very high | 96.7 | Very high | 95 Ų | 95 | 52.5 Ų | 52.5 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -100 | 154.1 | 178.6 | -70 | -47 | 0 | 0 | 0 | 111.9 | K45 N46 P52 | K45-D50 CarbonylContact C-O 3.59Å; K45-D50 VanDerWaalsContact CA-O 3.29Å; K45-D50 WeakPolarHBondContact CA-O 3.49Å; N46-D50 PolarHBondContact N-O 3.34Å; N46-D50 PolarHBondContact OD1-N 3.45Å; N46-D50 PolarHBondContact OD1-O 2.68Å; D50-P52 WeakPolarHBondContact O-CD 3.45Å |
| 51 | T | 98 | Very high | 96.8 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 31% | 0.307 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 117.8 | 171.9 | -61.4 | 0 | 0 | 0 | 0 | 108.6 | A40 G43 L44 K45 | A40-T51 HydrophobicContact CB-CG2 4.24Å; A40-T51 WeakPolarHBondContact O-CG2 3.42Å; G43-T51 PolarHBondContact O-OG1 2.96Å; L44-T51 PolarHBondContact O-OG1 2.9Å; K45-T51 VanDerWaalsContact CD-OG1 3.31Å; K45-T51 WeakPolarHBondContact CD-OG1 3.27Å; K45-T51 WeakPolarHBondContact CE-OG1 3.3Å; K45-T51 PolarHBondContact NZ-OG1 2.97Å |
| 52 | P | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 139.6 | 176.5 | -25.3 | 33.4 | 0 | 0 | 0 | 112.3 | F15 S18 E19 I21 A40 N46 D50 V54 | F15-P52 HydrophobicContact CD1-CG 4.11Å; F15-P52 HydrophobicContact CD2-CB 4.35Å; F15-P52 HydrophobicContact CD2-CG 4.07Å; F15-P52 HydrophobicContact CE1-CG 3.85Å; F15-P52 HydrophobicContact CE2-CB 4.07Å; F15-P52 HydrophobicContact CE2-CG 3.82Å; F15-P52 HydrophobicContact CG-CG 4.23Å; F15-P52 HydrophobicContact CZ-CB 4.37Å; F15-P52 VanDerWaalsContact CZ-CD 3.47Å; F15-P52 HydrophobicContact CZ-CG 3.71Å; F15-P52 WeakPolarHBondContact O-CG 3.27Å; S18-P52 WeakPolarHBondContact O-CG 3.02Å; E19-P52 CarbonylContact O-C 3.51Å; E19-P52 WeakPolarHBondContact O-CA 3.39Å; I21-P52 HydrophobicContact CD1-CB 4.08Å; I21-P52 HydrophobicContact CG1-CB 4.36Å; A40-P52 WeakPolarHBondContact CB-O 3.47Å; N46-P52 HydrophobicContact CB-CG 4.01Å; D50-P52 WeakPolarHBondContact O-CD 3.45Å; P52-V54 PolarHBondContact O-N 3.44Å |
| 53 | R | 97.6 | Very high | 97.5 | Very high | 181 Ų | 181 | 46.3 Ų | 46.3 | 68% | 0.683 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 106.7 | 174.8 | -177.8 | 60.2 | 174.3 | -178 | 1.1 | 109.8 | E19 V20 I21 | E19-R53 PolarHBondContact O-N 3.08Å; V20-R53 WeakPolarHBondContact CA-O 3.19Å; I21-R53 PolarHBondContact N-O 2.89Å |
| 54 | V | 97.2 | Very high | 97.7 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.8 | 172.7 | -172.2 | 0 | 0 | 0 | 0 | 110 | I21 I23 A36 D37 A40 P52 | I21-V54 HydrophobicContact CB-CG2 4.16Å; I21-V54 HydrophobicContact CD1-CG2 4.23Å; I21-V54 HydrophobicContact CG1-CG2 4.49Å; I21-V54 CarbonylContact O-C 3.58Å; I21-V54 VanDerWaalsContact O-CA 3.29Å; I21-V54 WeakPolarHBondContact O-CA 3.42Å; I23-V54 HydrophobicContact CD1-CG1 3.59Å; I23-V54 HydrophobicContact CG1-CG1 4.04Å; I23-V54 HydrophobicContact CG2-CG1 4.47Å; A36-V54 HydrophobicContact CB-CG2 4.38Å; D37-V54 HydrophobicContact CB-CG1 4.01Å; A40-V54 HydrophobicContact CB-CB 4.3Å; A40-V54 HydrophobicContact CB-CG2 3.61Å; P52-V54 PolarHBondContact O-N 3.44Å |
| 55 | V | 96.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 43 Ų | 43 | 29% | 0.291 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 126.6 | 177.8 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | I21 A22 I23 M57 T66 | I21-V55 PolarHBondContact O-N 3.39Å; A22-V55 WeakPolarHBondContact CA-O 3.47Å; A22-V55 HydrophobicContact CB-CG1 3.99Å; I23-V55 WeakPolarHBondContact CG1-O 3.33Å; I23-V55 PolarHBondContact N-O 3.27Å; V55-M57 HydrophobicContact CG2-SD 4.26Å; V55-T66 HydrophobicContact CG1-CG2 4.1Å |
| 56 | E | 96.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 40 Ų | 40 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.3 | 170.8 | 179.9 | -178.4 | -146.6 | 0 | 0 | 111.1 | I23 F1013 | I23-E56 HydrophobicContact CG1-CB 4.34Å; I23-E56 WeakPolarHBondContact O-CA 3.43Å; E56-F1013 HydrophobicContact CB-CD2 4.47Å; E56-F1013 HydrophobicContact CG-CD2 4.19Å; E56-F1013 VanDerWaalsContact OE1-CD2 3.26Å; E56-F1013 WeakPolarHBondContact OE1-CD2 3.49Å |
| 57 | M | 97.9 | Very high | 97.9 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 21% | 0.207 | 22% | 0.219 | C | C | . | . | trans | -103 | 177.2 | 175.4 | -61.1 | -54.2 | -61.6 | 0 | 0 | 111.7 | I23 Y24 V55 S59 A63 T66 | I23-M57 PolarHBondContact O-N 2.65Å; Y24-M57 VanDerWaalsContact CD2-O 3.25Å; Y24-M57 WeakPolarHBondContact CD2-O 3.2Å; V55-M57 HydrophobicContact CG2-SD 4.26Å; M57-S59 VanDerWaalsContact C-N 3.33Å; M57-A63 HydrophobicContact CB-CB 4.28Å; M57-A63 HydrophobicContact CG-CB 4.23Å; M57-T66 VanDerWaalsContact CE-OG1 3.25Å; M57-T66 WeakPolarHBondContact CE-OG1 3.16Å; M57-T66 HydrophobicContact SD-CG2 4.39Å; M57-T66 PolarHBondContact SD-OG1 3.5Å | ||
| 58 | Q | 97.8 | Very high | 98 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -77.3 | -19 | 178.4 | 79.7 | -69.7 | -6.2 | 0 | 0 | 114.1 | Y24 D968 I969 | Y24-Q58 WeakPolarHBondContact CE2-O 3.49Å; Q58-D968 HydrophobicContact CB-CB 4.42Å; Q58-I969 VanDerWaalsContact O-CA 3.28Å; Q58-I969 WeakPolarHBondContact O-CA 3.39Å; Q58-I969 WeakPolarHBondContact O-CB 3.45Å; Q58-I969 PolarHBondContact O-N 3.41Å |
| 59 | S | 98.4 | Very high | 98 | Very high | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -165.9 | 169 | 179.8 | 69 | 0 | 0 | 0 | 0 | 109.8 | M57 A61 G62 A63 | M57-S59 VanDerWaalsContact C-N 3.33Å; S59-A61 VanDerWaalsContact C-N 3.26Å; S59-A61 PolarHBondContact O-N 3.13Å; S59-A61 PolarHBondContact OG-N 2.92Å; S59-G62 WeakPolarHBondContact O-CA 3.45Å; S59-G62 PolarHBondContact O-N 2.62Å; S59-G62 PolarHBondContact OG-N 3.48Å; S59-A63 PolarHBondContact O-N 3.15Å |
| 60 | E | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.023 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -33.4 | 173.8 | -70.6 | 91.4 | 157.3 | 0 | 0 | 113.1 | Y24 I26 G62 A63 I64 G85 L88 M89 | Y24-E60 HydrophobicContact CD1-CG 4.16Å; Y24-E60 WeakPolarHBondContact CD1-OE1 3.49Å; Y24-E60 WeakPolarHBondContact CD1-OE2 3.41Å; Y24-E60 HydrophobicContact CG-CG 4.48Å; I26-E60 WeakPolarHBondContact CB-OE1 3.37Å; I26-E60 WeakPolarHBondContact CG2-OE1 3.26Å; E60-G62 VanDerWaalsContact C-N 3.27Å; E60-G62 PolarHBondContact O-N 3.44Å; E60-A63 PolarHBondContact O-N 2.91Å; E60-A63 VanDerWaalsContact O-N 3.16Å; E60-I64 PolarHBondContact O-N 2.87Å; E60-G85 VanDerWaalsContact CB-O 3.26Å; E60-G85 WeakPolarHBondContact CB-O 3.49Å; E60-G85 VanDerWaalsContact OE1-CA 3.29Å; E60-G85 WeakPolarHBondContact OE1-CA 3.28Å; E60-L88 HydrophobicContact CB-CB 4.23Å; E60-M89 HydrophobicContact CB-CE 3.7Å; E60-M89 HydrophobicContact CB-CG 4.07Å; E60-M89 HydrophobicContact CG-CE 4Å |
| 61 | A | 98.8 | Very high | 98.2 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 31% | 0.314 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.3 | -41.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S59 I64 A65 L88 | S59-A61 VanDerWaalsContact C-N 3.26Å; S59-A61 PolarHBondContact O-N 3.13Å; S59-A61 PolarHBondContact OG-N 2.92Å; A61-I64 WeakPolarHBondContact O-CG2 3.2Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.35Å; A61-L88 HydrophobicContact CB-CB 4.25Å |
| 62 | G | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S59 E60 A65 T66 | S59-G62 WeakPolarHBondContact O-CA 3.45Å; S59-G62 PolarHBondContact O-N 2.62Å; S59-G62 PolarHBondContact OG-N 3.48Å; E60-G62 VanDerWaalsContact C-N 3.27Å; E60-G62 PolarHBondContact O-N 3.44Å; G62-A65 PolarHBondContact O-N 3.49Å; G62-T66 PolarHBondContact O-N 3.05Å; G62-T66 PolarHBondContact O-OG1 2.94Å; G62-T66 VanDerWaalsContact O-OG1 3.11Å |
| 63 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -51.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A22 M57 S59 E60 A65 T66 V67 M89 | A22-A63 HydrophobicContact CB-CB 4.46Å; A22-A63 WeakPolarHBondContact CB-O 3.33Å; M57-A63 HydrophobicContact CB-CB 4.28Å; M57-A63 HydrophobicContact CG-CB 4.23Å; S59-A63 PolarHBondContact O-N 3.15Å; E60-A63 PolarHBondContact O-N 2.91Å; E60-A63 VanDerWaalsContact O-N 3.16Å; A63-A65 VanDerWaalsContact C-N 3.32Å; A63-A65 PolarHBondContact O-N 3.18Å; A63-T66 PolarHBondContact O-N 2.92Å; A63-V67 PolarHBondContact O-N 3.44Å; A63-M89 HydrophobicContact CB-CE 4.25Å |
| 64 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.1 | -32.9 | -179.7 | -165 | 63.1 | 0 | 0 | 0 | 112.4 | E60 A61 V67 H68 M89 T92 L93 L96 F103 | E60-I64 PolarHBondContact O-N 2.87Å; A61-I64 WeakPolarHBondContact O-CG2 3.2Å; I64-V67 HydrophobicContact CD1-CB 4.41Å; I64-V67 HydrophobicContact CD1-CG1 4.47Å; I64-V67 PolarHBondContact O-N 3.2Å; I64-H68 WeakPolarHBondContact O-CB 3.32Å; I64-H68 PolarHBondContact O-N 3.42Å; I64-M89 HydrophobicContact CB-CB 4.02Å; I64-M89 HydrophobicContact CB-CE 4.28Å; I64-M89 HydrophobicContact CB-CG 3.69Å; I64-M89 HydrophobicContact CB-SD 3.81Å; I64-M89 HydrophobicContact CD1-SD 4.13Å; I64-M89 HydrophobicContact CG1-CB 4.18Å; I64-M89 HydrophobicContact CG1-CG 4.29Å; I64-M89 HydrophobicContact CG1-SD 4.19Å; I64-M89 HydrophobicContact CG2-CB 3.83Å; I64-M89 HydrophobicContact CG2-CG 3.73Å; I64-T92 HydrophobicContact CB-CG2 4.42Å; I64-T92 HydrophobicContact CG1-CG2 3.85Å; I64-T92 HydrophobicContact CG2-CG2 4.04Å; I64-L93 HydrophobicContact CD1-CD2 4.18Å; I64-L93 HydrophobicContact CG1-CD2 4.4Å; I64-L96 HydrophobicContact CD1-CD1 3.83Å; I64-L96 HydrophobicContact CG1-CD1 4.05Å; I64-F103 HydrophobicContact CD1-CE2 4.06Å; I64-F103 HydrophobicContact CD1-CZ 4.2Å |
| 65 | A | 98.7 | Very high | 98.2 | Very high | 46 Ų | 46 | 27.7 Ų | 27.7 | 38% | 0.38 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.7 | -38.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A61 G62 A63 H68 G69 | A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.35Å; G62-A65 PolarHBondContact O-N 3.49Å; A63-A65 VanDerWaalsContact C-N 3.32Å; A63-A65 PolarHBondContact O-N 3.18Å; A65-H68 PolarHBondContact O-N 2.68Å; A65-G69 PolarHBondContact O-N 2.99Å |
| 66 | T | 98.8 | Very high | 98.3 | Very high | 41 Ų | 41 | 25.5 Ų | 25.5 | 25% | 0.252 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64 | -43.1 | 172.3 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | A22 V55 M57 G62 A63 H68 G69 A70 | A22-T66 HydrophobicContact CB-CG2 3.77Å; V55-T66 HydrophobicContact CG1-CG2 4.1Å; M57-T66 VanDerWaalsContact CE-OG1 3.25Å; M57-T66 WeakPolarHBondContact CE-OG1 3.16Å; M57-T66 HydrophobicContact SD-CG2 4.39Å; M57-T66 PolarHBondContact SD-OG1 3.5Å; G62-T66 PolarHBondContact O-N 3.05Å; G62-T66 PolarHBondContact O-OG1 2.94Å; G62-T66 VanDerWaalsContact O-OG1 3.11Å; A63-T66 PolarHBondContact O-N 2.92Å; T66-H68 VanDerWaalsContact C-N 3.33Å; T66-H68 PolarHBondContact O-N 3.26Å; T66-G69 PolarHBondContact O-N 3.43Å; T66-A70 WeakPolarHBondContact O-CB 3.34Å; T66-A70 PolarHBondContact O-N 3.35Å |
| 67 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58 | -46.7 | 172.6 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | A22 A63 I64 G69 A70 L71 T78 F103 | A22-V67 HydrophobicContact CB-CG2 3.92Å; A63-V67 PolarHBondContact O-N 3.44Å; I64-V67 HydrophobicContact CD1-CB 4.41Å; I64-V67 HydrophobicContact CD1-CG1 4.47Å; I64-V67 PolarHBondContact O-N 3.2Å; V67-G69 PolarHBondContact O-N 3.44Å; V67-A70 PolarHBondContact O-N 3.37Å; V67-L71 HydrophobicContact CG1-CD1 3.5Å; V67-L71 HydrophobicContact CG1-CG 4.22Å; V67-L71 WeakPolarHBondContact O-CB 3.5Å; V67-L71 WeakPolarHBondContact O-CD1 3.31Å; V67-L71 VanDerWaalsContact O-CG 3.23Å; V67-L71 WeakPolarHBondContact O-CG 3.49Å; V67-L71 PolarHBondContact O-N 3.1Å; V67-T78 WeakPolarHBondContact CG2-O 3.47Å; V67-F103 HydrophobicContact CG1-CD2 4.15Å |
| 68 | H | 98.7 | Very high | 98.4 | Very high | 30 Ų | 30 | 21 Ų | 21 | 14% | 0.139 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 177.8 | -178 | -154.7 | 0 | 0 | 0 | 111.7 | I64 A65 T66 A70 L71 Q72 T92 L96 E99 | I64-H68 WeakPolarHBondContact O-CB 3.32Å; I64-H68 PolarHBondContact O-N 3.42Å; A65-H68 PolarHBondContact O-N 2.68Å; T66-H68 VanDerWaalsContact C-N 3.33Å; T66-H68 PolarHBondContact O-N 3.26Å; H68-A70 PolarHBondContact O-N 2.84Å; H68-L71 PolarHBondContact O-N 2.86Å; H68-Q72 PolarHBondContact NE2-NE2 2.71Å; H68-Q72 VanDerWaalsContact O-CG 3.31Å; H68-Q72 WeakPolarHBondContact O-CG 3.46Å; H68-Q72 PolarHBondContact O-N 2.98Å; H68-T92 HydrophobicContact CB-CG2 3.62Å; H68-L96 HydrophobicContact CB-CD1 4.47Å; H68-L96 HydrophobicContact CB-CD2 4.05Å; H68-L96 HydrophobicContact CB-CG 4.29Å; H68-E99 IonicContact CD2-OE2 3.65Å; H68-E99 IonicContact CE1-OE1 3.37Å; H68-E99 IonicContact CE1-OE2 2.75Å; H68-E99 IonicContact NE2-OE1 3.49Å; H68-E99 IonicContact NE2-OE2 3.72Å; H68-E99 PolarHBondContact NE2-OE2 3.23Å |
| 69 | G | 98.5 | Very high | 98.5 | Very high | 37 Ų | 37 | 17.6 Ų | 17.6 | 38% | 0.381 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A65 T66 V67 L71 Q72 T73 | A65-G69 PolarHBondContact O-N 2.99Å; T66-G69 PolarHBondContact O-N 3.43Å; V67-G69 PolarHBondContact O-N 3.44Å; G69-L71 PolarHBondContact O-N 3.46Å; G69-Q72 WeakPolarHBondContact O-CB 3.47Å; G69-Q72 PolarHBondContact O-N 3.34Å; G69-T73 PolarHBondContact O-N 3.49Å; G69-T73 PolarHBondContact O-OG1 3.35Å |
| 70 | A | 98.6 | Very high | 98.5 | Very high | 15 Ų | 15 | 17 Ų | 17 | 12% | 0.124 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | V20 T66 V67 H68 T73 G74 A75 S77 | V20-A70 HydrophobicContact CB-CB 4.24Å; V20-A70 HydrophobicContact CG1-CB 4.11Å; V20-A70 HydrophobicContact CG2-CB 4.4Å; T66-A70 WeakPolarHBondContact O-CB 3.34Å; T66-A70 PolarHBondContact O-N 3.35Å; V67-A70 PolarHBondContact O-N 3.37Å; H68-A70 PolarHBondContact O-N 2.84Å; A70-T73 CarbonylContact O-C 3.59Å; A70-T73 PolarHBondContact O-N 2.99Å; A70-T73 PolarHBondContact O-OG1 3.34Å; A70-G74 PolarHBondContact O-N 3.34Å; A70-A75 HydrophobicContact CB-CB 4.38Å; A70-A75 PolarHBondContact O-N 3.29Å; A70-A75 VanDerWaalsContact O-N 3.14Å; A70-S77 VanDerWaalsContact CB-OG 3.3Å; A70-S77 WeakPolarHBondContact CB-OG 3.24Å |
| 71 | L | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 175.7 | -68.3 | 161.9 | 0 | 0 | 0 | 112.2 | V67 H68 G69 T73 G74 A75 L96 T101 P102 F103 H199 | V67-L71 HydrophobicContact CG1-CD1 3.5Å; V67-L71 HydrophobicContact CG1-CG 4.22Å; V67-L71 WeakPolarHBondContact O-CB 3.5Å; V67-L71 WeakPolarHBondContact O-CD1 3.31Å; V67-L71 VanDerWaalsContact O-CG 3.23Å; V67-L71 WeakPolarHBondContact O-CG 3.49Å; V67-L71 PolarHBondContact O-N 3.1Å; H68-L71 PolarHBondContact O-N 2.86Å; G69-L71 PolarHBondContact O-N 3.46Å; L71-T73 PolarHBondContact O-N 3.44Å; L71-G74 PolarHBondContact O-N 3.08Å; L71-A75 WeakPolarHBondContact CD2-O 3.26Å; L71-L96 HydrophobicContact CD1-CD2 3.57Å; L71-T101 HydrophobicContact CB-CG2 3.54Å; L71-T101 HydrophobicContact CD1-CG2 3.83Å; L71-T101 HydrophobicContact CD2-CG2 4.29Å; L71-T101 HydrophobicContact CG-CG2 4.1Å; L71-P102 WeakPolarHBondContact CD2-O 3.28Å; L71-F103 HydrophobicContact CD1-CB 3.56Å; L71-F103 HydrophobicContact CD1-CD1 4.15Å; L71-F103 HydrophobicContact CD1-CG 3.86Å; L71-F103 HydrophobicContact CD2-CB 3.88Å; L71-F103 HydrophobicContact CG-CB 4.39Å; L71-H199 PolarHBondContact O-CE1 3.39Å |
| 72 | Q | 98.2 | Very high | 98.5 | Very high | 14 Ų | 14 | 15 Ų | 15 | 7% | 0.065 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -29.5 | 175.7 | -72.5 | -57.6 | -53.4 | 0 | 0 | 112.2 | H68 G69 E99 A203 L204 | H68-Q72 PolarHBondContact NE2-NE2 2.71Å; H68-Q72 VanDerWaalsContact O-CG 3.31Å; H68-Q72 WeakPolarHBondContact O-CG 3.46Å; H68-Q72 PolarHBondContact O-N 2.98Å; G69-Q72 WeakPolarHBondContact O-CB 3.47Å; G69-Q72 PolarHBondContact O-N 3.34Å; Q72-E99 PolarHBondContact NE2-OE2 3.38Å; Q72-A203 CarbonylContact O-C 3.6Å; Q72-A203 WeakPolarHBondContact O-CA 3.37Å; Q72-L204 HydrophobicContact CB-CD1 4.01Å; Q72-L204 HydrophobicContact CB-CG 4.41Å; Q72-L204 PolarHBondContact O-N 2.97Å |
| 73 | T | 97.5 | Very high | 98.5 | Very high | 91 Ų | 91 | 14.7 Ų | 14.7 | 56% | 0.558 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 11.5 | 176.3 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | G69 A70 L71 | G69-T73 PolarHBondContact O-N 3.49Å; G69-T73 PolarHBondContact O-OG1 3.35Å; A70-T73 CarbonylContact O-C 3.59Å; A70-T73 PolarHBondContact O-N 2.99Å; A70-T73 PolarHBondContact O-OG1 3.34Å; L71-T73 PolarHBondContact O-N 3.44Å |
| 74 | G | 97.2 | Very high | 98.5 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 7% | 0.072 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 0.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | A70 L71 H199 | A70-G74 PolarHBondContact O-N 3.34Å; L71-G74 PolarHBondContact O-N 3.08Å; G74-H199 PolarHBondContact O-CD2 2.61Å |
| 75 | A | 97.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 15.8 Ų | 15.8 | 16% | 0.157 | 11% | 0.109 | C | C | . | . | trans | -72.4 | 149.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E19 V20 A70 L71 H199 | E19-A75 VanDerWaalsContact OE2-CA 3.31Å; E19-A75 WeakPolarHBondContact OE2-CA 3.38Å; V20-A75 HydrophobicContact CG2-CB 4.03Å; A70-A75 HydrophobicContact CB-CB 4.38Å; A70-A75 PolarHBondContact O-N 3.29Å; A70-A75 VanDerWaalsContact O-N 3.14Å; L71-A75 WeakPolarHBondContact CD2-O 3.26Å; A75-H199 PolarHBondContact O-NE2 3.42Å | ||
| 76 | L | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | trans | -80.4 | 120.7 | 163.3 | -60.6 | -178.4 | 0 | 0 | 0 | 108.2 | E19 V20 W48 L157 I196 | E19-L76 HydrophobicContact CG-CB 4.46Å; E19-L76 PolarHBondContact N-O 2.56Å; E19-L76 PolarHBondContact OE2-N 3.4Å; V20-L76 PolarHBondContact N-O 3.29Å; V20-L76 VanDerWaalsContact N-O 3.12Å; W48-L76 HydrophobicContact CH2-CD1 3.41Å; W48-L76 VanDerWaalsContact CH2-CD1 3.41Å; W48-L76 HydrophobicContact CZ2-CD1 3.93Å; W48-L76 HydrophobicContact CZ3-CD1 4.05Å; L76-L157 HydrophobicContact CD2-CD2 3.93Å; L76-I196 HydrophobicContact CD1-CD1 4.26Å; L76-I196 HydrophobicContact CD1-CG1 4.3Å; L76-I196 HydrophobicContact CD1-CG2 4.29Å | ||
| 77 | S | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 149.1 | -171.4 | -49.2 | 0 | 0 | 0 | 0 | 113.3 | V20 A70 | V20-S77 WeakPolarHBondContact O-CA 3.32Å; V20-S77 WeakPolarHBondContact O-CB 3.47Å; A70-S77 VanDerWaalsContact CB-OG 3.3Å; A70-S77 WeakPolarHBondContact CB-OG 3.24Å |
| 78 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 170.6 | 179.8 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | A14 S18 V20 I21 A22 V67 F80 V104 | A14-T78 HydrophobicContact CB-CG2 4.26Å; S18-T78 VanDerWaalsContact OG-CG2 3.26Å; S18-T78 WeakPolarHBondContact OG-CG2 3.29Å; V20-T78 PolarHBondContact O-N 3.21Å; I21-T78 HydrophobicContact CB-CG2 4.5Å; I21-T78 HydrophobicContact CG1-CG2 4.09Å; I21-T78 HydrophobicContact CG2-CG2 4.02Å; A22-T78 PolarHBondContact N-O 2.86Å; V67-T78 WeakPolarHBondContact CG2-O 3.47Å; T78-F80 HydrophobicContact CG2-CZ 4.44Å; T78-V104 PolarHBondContact OG1-O 3.21Å |
| 79 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 167.7 | 172.8 | -164.9 | 0 | 0 | 0 | 0 | 110.4 | A22 H106 | A22-S79 VanDerWaalsContact O-CB 3.24Å; A22-S79 WeakPolarHBondContact O-CB 3.26Å; A22-S79 PolarHBondContact O-OG 2.99Å; S79-H106 PolarHBondContact O-N 3Å; S79-H106 VanDerWaalsContact O-N 3.15Å |
| 80 | F | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.8 | 178.2 | -45.4 | -70.8 | 0 | 0 | 0 | 108.6 | A14 I21 I23 M32 A33 A36 T78 H106 | A14-F80 HydrophobicContact CB-CE1 3.66Å; A14-F80 HydrophobicContact CB-CZ 3.92Å; I21-F80 HydrophobicContact CG2-CD2 4.37Å; I21-F80 HydrophobicContact CG2-CE2 3.59Å; I21-F80 HydrophobicContact CG2-CZ 4.11Å; I23-F80 HydrophobicContact CG2-CD2 3.78Å; I23-F80 HydrophobicContact CG2-CE2 4.12Å; M32-F80 HydrophobicContact CB-CB 4.02Å; M32-F80 HydrophobicContact CB-CD1 3.55Å; M32-F80 HydrophobicContact CB-CD2 3.97Å; M32-F80 HydrophobicContact CB-CE1 3.99Å; M32-F80 HydrophobicContact CB-CE2 4.33Å; M32-F80 HydrophobicContact CB-CG 3.57Å; M32-F80 HydrophobicContact CB-CZ 4.36Å; M32-F80 HydrophobicContact CE-CB 4.11Å; M32-F80 HydrophobicContact CE-CD1 4.27Å; M32-F80 HydrophobicContact CG-CD1 4.21Å; M32-F80 HydrophobicContact SD-CD1 3.67Å; M32-F80 HydrophobicContact SD-CE1 4.29Å; M32-F80 HydrophobicContact SD-CG 4.38Å; A33-F80 HydrophobicContact CB-CD2 3.98Å; A36-F80 HydrophobicContact CB-CE2 3.91Å; A36-F80 HydrophobicContact CB-CZ 4.32Å; T78-F80 HydrophobicContact CG2-CZ 4.44Å; F80-H106 WeakPolarHBondContact CA-O 3.42Å; F80-H106 HydrophobicContact CD1-CB 3.86Å; F80-H106 HydrophobicContact CE1-CB 4.36Å; F80-H106 AromaticContact CE1-CD2 3.92Å |
| 81 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 178.8 | 179 | -164.6 | 0 | 0 | 0 | 0 | 113.3 | S29 G85 L86 M89 L105 H106 V107 A108 | S29-T81 WeakPolarHBondContact CB-O 3.43Å; S29-T81 WeakPolarHBondContact OG-CA 3.18Å; T81-G85 VanDerWaalsContact OG1-C 3.24Å; T81-L86 HydrophobicContact CG2-CB 3.98Å; T81-L86 HydrophobicContact CG2-CD1 3.96Å; T81-L86 PolarHBondContact OG1-N 3.39Å; T81-M89 HydrophobicContact CG2-CE 4.06Å; T81-M89 HydrophobicContact CG2-SD 3.77Å; T81-L105 HydrophobicContact CG2-CD1 4.03Å; T81-L105 HydrophobicContact CG2-CD2 3.96Å; T81-L105 HydrophobicContact CG2-CG 4.2Å; T81-H106 PolarHBondContact N-O 3.33Å; T81-H106 VanDerWaalsContact N-O 3.12Å; T81-V107 HydrophobicContact CG2-CG2 4.02Å; T81-V107 WeakPolarHBondContact O-CA 3.34Å; T81-A108 PolarHBondContact O-N 3.06Å |
| 82 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -161.6 | 157.5 | 176.1 | -50.4 | 0 | 0 | 0 | 0 | 110.4 | I26 S29 Q84 G85 L86 A108 | I26-S82 WeakPolarHBondContact CD1-O 3.31Å; S29-S82 VanDerWaalsContact CB-OG 3.23Å; S29-S82 WeakPolarHBondContact CB-OG 3.47Å; S29-S82 PolarHBondContact OG-OG 2.84Å; S82-Q84 PolarHBondContact O-N 3.05Å; S82-G85 WeakPolarHBondContact O-CA 3.3Å; S82-G85 PolarHBondContact O-N 3.45Å; S82-L86 PolarHBondContact O-N 3.21Å; S82-A108 WeakPolarHBondContact CB-O 3.46Å; S82-A108 PolarHBondContact OG-O 2.89Å | ||
| 83 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | 49.6 | -126.5 | 162.7 | -178.1 | 0 | 0 | 0 | 0 | 114.1 | G85 L86 L87 R110 T111 D125 | S83-G85 PolarHBondContact O-N 3.07Å; S83-L86 WeakPolarHBondContact O-CB 3.38Å; S83-L86 PolarHBondContact O-N 3.2Å; S83-L87 PolarHBondContact O-N 3.31Å; S83-R110 VanDerWaalsContact CB-CD 3.41Å; S83-R110 PolarHBondContact OG-NE 3.44Å; S83-T111 WeakPolarHBondContact CB-O 3.47Å; S83-T111 PolarHBondContact OG-O 3.11Å; S83-D125 PolarHBondContact N-OD2 3.25Å |
| 84 | Q | 98.6 | Very high | 98.6 | Very high | 22 Ų | 22 | 18.8 Ų | 18.8 | 10% | 0.103 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -51.8 | -39.9 | 178.9 | -48.5 | -47.3 | 117.7 | 0 | 0 | 112 | I26 S82 L86 L87 L88 L875 | I26-Q84 HydrophobicContact CD1-CB 4.34Å; S82-Q84 PolarHBondContact O-N 3.05Å; Q84-L86 VanDerWaalsContact C-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.49Å; Q84-L87 WeakPolarHBondContact O-CB 3.25Å; Q84-L87 PolarHBondContact O-N 3.24Å; Q84-L87 VanDerWaalsContact O-N 3.09Å; Q84-L88 WeakPolarHBondContact O-CG 3.39Å; Q84-L88 PolarHBondContact O-N 2.84Å; Q84-L88 VanDerWaalsContact O-N 3.07Å; Q84-L875 HydrophobicContact CG-CD2 4.49Å |
| 85 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E60 T81 S82 S83 L87 L88 M89 | E60-G85 VanDerWaalsContact CB-O 3.26Å; E60-G85 WeakPolarHBondContact CB-O 3.49Å; E60-G85 VanDerWaalsContact OE1-CA 3.29Å; E60-G85 WeakPolarHBondContact OE1-CA 3.28Å; T81-G85 VanDerWaalsContact OG1-C 3.24Å; S82-G85 WeakPolarHBondContact O-CA 3.3Å; S82-G85 PolarHBondContact O-N 3.45Å; S83-G85 PolarHBondContact O-N 3.07Å; G85-L87 VanDerWaalsContact C-N 3.34Å; G85-L87 PolarHBondContact O-N 3.19Å; G85-L88 PolarHBondContact O-N 3.24Å; G85-M89 WeakPolarHBondContact O-CG 3.1Å; G85-M89 PolarHBondContact O-N 2.92Å |
| 86 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.1 | -36.5 | 175.7 | -178.1 | 58.9 | 0 | 0 | 0 | 111.9 | T81 S82 S83 Q84 L88 M89 L93 L105 V107 D125 V126 V129 | T81-L86 HydrophobicContact CG2-CB 3.98Å; T81-L86 HydrophobicContact CG2-CD1 3.96Å; T81-L86 PolarHBondContact OG1-N 3.39Å; S82-L86 PolarHBondContact O-N 3.21Å; S83-L86 WeakPolarHBondContact O-CB 3.38Å; S83-L86 PolarHBondContact O-N 3.2Å; Q84-L86 VanDerWaalsContact C-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.49Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.96Å; L86-M89 WeakPolarHBondContact O-CB 3.34Å; L86-M89 PolarHBondContact O-N 2.96Å; L86-M89 VanDerWaalsContact O-N 3.1Å; L86-L93 HydrophobicContact CD1-CD1 4.11Å; L86-L105 HydrophobicContact CD1-CD2 3.57Å; L86-V107 HydrophobicContact CD1-CG2 4.31Å; L86-V107 HydrophobicContact CD2-CG1 4.1Å; L86-V107 HydrophobicContact CD2-CG2 4.31Å; L86-D125 HydrophobicContact CD2-CB 4.08Å; L86-V126 HydrophobicContact CD2-CG1 4.05Å; L86-V129 HydrophobicContact CD1-CG1 4.21Å; L86-V129 HydrophobicContact CD1-CG2 4.39Å; L86-V129 HydrophobicContact CD2-CG1 4.16Å; L86-V129 HydrophobicContact CD2-CG2 3.97Å; L86-V129 HydrophobicContact CG-CG1 3.79Å; L86-V129 HydrophobicContact CG-CG2 4.32Å |
| 87 | L | 98.9 | Very high | 98.7 | Very high | 51 Ų | 51 | 21.6 Ų | 21.6 | 27% | 0.267 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | 175.8 | -58.8 | -177 | 0 | 0 | 0 | 111.5 | S83 Q84 G85 M89 I90 V112 A128 | S83-L87 PolarHBondContact O-N 3.31Å; Q84-L87 WeakPolarHBondContact O-CB 3.25Å; Q84-L87 PolarHBondContact O-N 3.24Å; Q84-L87 VanDerWaalsContact O-N 3.09Å; G85-L87 VanDerWaalsContact C-N 3.34Å; G85-L87 PolarHBondContact O-N 3.19Å; L87-M89 PolarHBondContact O-N 3.19Å; L87-I90 HydrophobicContact CB-CD1 4.43Å; L87-I90 HydrophobicContact CD2-CD1 4Å; L87-I90 WeakPolarHBondContact O-CB 3.25Å; L87-I90 VanDerWaalsContact O-CG1 3.3Å; L87-I90 WeakPolarHBondContact O-CG1 3.43Å; L87-I90 PolarHBondContact O-N 2.97Å; L87-V112 HydrophobicContact CD1-CG1 3.83Å; L87-V112 HydrophobicContact CD1-CG2 4.21Å; L87-A128 HydrophobicContact CD2-CB 3.56Å |
| 88 | L | 98.8 | Very high | 98.7 | Very high | 44 Ų | 44 | 23.3 Ų | 23.3 | 23% | 0.23 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.7 | -21.2 | 176.1 | -64.7 | -179.3 | 0 | 0 | 0 | 112.9 | E60 A61 Q84 G85 L86 I969 | E60-L88 HydrophobicContact CB-CB 4.23Å; A61-L88 HydrophobicContact CB-CB 4.25Å; Q84-L88 WeakPolarHBondContact O-CG 3.39Å; Q84-L88 PolarHBondContact O-N 2.84Å; Q84-L88 VanDerWaalsContact O-N 3.07Å; G85-L88 PolarHBondContact O-N 3.24Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.96Å; L88-I969 HydrophobicContact CD1-CD1 4.1Å |
| 89 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -83.8 | -15.2 | 178.5 | -63.9 | -168.7 | 175.6 | 0 | 0 | 114.2 | E60 A63 I64 T81 G85 L86 L87 P91 T92 L93 L105 | E60-M89 HydrophobicContact CB-CE 3.7Å; E60-M89 HydrophobicContact CB-CG 4.07Å; E60-M89 HydrophobicContact CG-CE 4Å; A63-M89 HydrophobicContact CB-CE 4.25Å; I64-M89 HydrophobicContact CB-CB 4.02Å; I64-M89 HydrophobicContact CB-CE 4.28Å; I64-M89 HydrophobicContact CB-CG 3.69Å; I64-M89 HydrophobicContact CB-SD 3.81Å; I64-M89 HydrophobicContact CD1-SD 4.13Å; I64-M89 HydrophobicContact CG1-CB 4.18Å; I64-M89 HydrophobicContact CG1-CG 4.29Å; I64-M89 HydrophobicContact CG1-SD 4.19Å; I64-M89 HydrophobicContact CG2-CB 3.83Å; I64-M89 HydrophobicContact CG2-CG 3.73Å; T81-M89 HydrophobicContact CG2-CE 4.06Å; T81-M89 HydrophobicContact CG2-SD 3.77Å; G85-M89 WeakPolarHBondContact O-CG 3.1Å; G85-M89 PolarHBondContact O-N 2.92Å; L86-M89 WeakPolarHBondContact O-CB 3.34Å; L86-M89 PolarHBondContact O-N 2.96Å; L86-M89 VanDerWaalsContact O-N 3.1Å; L87-M89 PolarHBondContact O-N 3.19Å; M89-P91 VanDerWaalsContact C-CD 3.49Å; M89-T92 PolarHBondContact O-N 2.8Å; M89-T92 VanDerWaalsContact O-N 3.12Å; M89-L93 HydrophobicContact CB-CD1 4.28Å; M89-L93 HydrophobicContact CB-CG 4.29Å; M89-L93 WeakPolarHBondContact O-CG 3.46Å; M89-L93 PolarHBondContact O-N 2.54Å; M89-L105 HydrophobicContact CE-CD1 4.49Å; M89-L105 HydrophobicContact SD-CD1 3.87Å; M89-L105 HydrophobicContact SD-CD2 3.96Å |
| 90 | I | 98.8 | Very high | 98.6 | Very high | 36 Ų | 36 | 25.7 Ų | 25.7 | 19% | 0.185 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -48.9 | -49.6 | -172.1 | -70.8 | 171 | 0 | 0 | 0 | 113.7 | L87 T92 L93 Y94 V129 T132 | L87-I90 HydrophobicContact CB-CD1 4.43Å; L87-I90 HydrophobicContact CD2-CD1 4Å; L87-I90 WeakPolarHBondContact O-CB 3.25Å; L87-I90 VanDerWaalsContact O-CG1 3.3Å; L87-I90 WeakPolarHBondContact O-CG1 3.43Å; L87-I90 PolarHBondContact O-N 2.97Å; I90-T92 VanDerWaalsContact C-N 3.27Å; I90-T92 PolarHBondContact O-N 2.81Å; I90-L93 PolarHBondContact O-N 2.92Å; I90-Y94 HydrophobicContact CG2-CD2 3.98Å; I90-Y94 HydrophobicContact CG2-CE2 3.66Å; I90-Y94 WeakPolarHBondContact O-CD2 3.24Å; I90-Y94 PolarHBondContact O-N 3.04Å; I90-V129 HydrophobicContact CD1-CG1 3.9Å; I90-V129 HydrophobicContact CG1-CG1 3.53Å; I90-T132 HydrophobicContact CG2-CG2 4.31Å |
| 91 | P | 98.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 26 Ų | 26 | 58% | 0.584 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -58.6 | -39.7 | -176 | -25.8 | 36.2 | 0 | 0 | 0 | 112.9 | M89 | M89-P91 VanDerWaalsContact C-CD 3.49Å |
| 92 | T | 98.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 14% | 0.135 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -78.9 | -30.5 | -179.3 | -53.3 | 0 | 0 | 0 | 0 | 112 | I64 H68 M89 I90 Y94 K95 L96 | I64-T92 HydrophobicContact CB-CG2 4.42Å; I64-T92 HydrophobicContact CG1-CG2 3.85Å; I64-T92 HydrophobicContact CG2-CG2 4.04Å; H68-T92 HydrophobicContact CB-CG2 3.62Å; M89-T92 PolarHBondContact O-N 2.8Å; M89-T92 VanDerWaalsContact O-N 3.12Å; I90-T92 VanDerWaalsContact C-N 3.27Å; I90-T92 PolarHBondContact O-N 2.81Å; T92-Y94 VanDerWaalsContact C-N 3.3Å; T92-Y94 PolarHBondContact O-N 2.77Å; T92-K95 WeakPolarHBondContact O-CB 3.25Å; T92-K95 PolarHBondContact O-N 3.44Å; T92-L96 HydrophobicContact CG2-CD1 4.13Å; T92-L96 HydrophobicContact CG2-CG 4.47Å; T92-L96 PolarHBondContact O-N 3.43Å |
| 93 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.3 | -41 | 174.1 | -68.5 | 176.7 | 0 | 0 | 0 | 112 | I64 L86 M89 I90 K95 L96 A97 F103 L105 V129 T132 I164 | I64-L93 HydrophobicContact CD1-CD2 4.18Å; I64-L93 HydrophobicContact CG1-CD2 4.4Å; L86-L93 HydrophobicContact CD1-CD1 4.11Å; M89-L93 HydrophobicContact CB-CD1 4.28Å; M89-L93 HydrophobicContact CB-CG 4.29Å; M89-L93 WeakPolarHBondContact O-CG 3.46Å; M89-L93 PolarHBondContact O-N 2.54Å; I90-L93 PolarHBondContact O-N 2.92Å; L93-K95 VanDerWaalsContact C-N 3.27Å; L93-K95 PolarHBondContact O-N 3.11Å; L93-L96 PolarHBondContact O-N 3.31Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 3.29Å; L93-F103 HydrophobicContact CD2-CZ 3.78Å; L93-L105 HydrophobicContact CD2-CD2 4.24Å; L93-V129 HydrophobicContact CD1-CB 4.41Å; L93-V129 HydrophobicContact CD1-CG1 4.44Å; L93-T132 HydrophobicContact CB-CG2 3.9Å; L93-T132 HydrophobicContact CD1-CG2 4.29Å; L93-I164 HydrophobicContact CD1-CD1 4.37Å |
| 94 | Y | 98.7 | Very high | 98.5 | Very high | 98 Ų | 98 | 26.2 Ų | 26.2 | 38% | 0.384 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59 | -37.9 | 172.5 | -81.4 | -73.5 | 0 | 0 | 0 | 112.9 | I90 T92 G98 Q131 T132 | I90-Y94 HydrophobicContact CG2-CD2 3.98Å; I90-Y94 HydrophobicContact CG2-CE2 3.66Å; I90-Y94 WeakPolarHBondContact O-CD2 3.24Å; I90-Y94 PolarHBondContact O-N 3.04Å; T92-Y94 VanDerWaalsContact C-N 3.3Å; T92-Y94 PolarHBondContact O-N 2.77Å; Y94-G98 PolarHBondContact O-N 2.87Å; Y94-Q131 WeakPolarHBondContact CE1-O 3.42Å; Y94-Q131 WeakPolarHBondContact OH-CG 3.46Å; Y94-T132 HydrophobicContact CD2-CG2 4.26Å; Y94-T132 HydrophobicContact CE2-CG2 4.11Å |
| 95 | K | 98.4 | Very high | 98.5 | Very high | 85 Ų | 85 | 25.1 Ų | 25.1 | 37% | 0.37 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.9 | -46.5 | 178.4 | -66.5 | -74.4 | -77.1 | 145.3 | 0 | 111.1 | T92 L93 A97 G98 E99 | T92-K95 WeakPolarHBondContact O-CB 3.25Å; T92-K95 PolarHBondContact O-N 3.44Å; L93-K95 VanDerWaalsContact C-N 3.27Å; L93-K95 PolarHBondContact O-N 3.11Å; K95-A97 VanDerWaalsContact C-N 3.34Å; K95-A97 PolarHBondContact O-N 3.37Å; K95-G98 PolarHBondContact O-N 2.86Å; K95-E99 WeakPolarHBondContact CE-OE1 3.37Å; K95-E99 IonicContact NZ-OE1 3.64Å; K95-E99 PolarHBondContact NZ-OE1 3.22Å; K95-E99 VanDerWaalsContact O-CB 3.27Å; K95-E99 WeakPolarHBondContact O-CB 3.4Å; K95-E99 VanDerWaalsContact O-CG 3.22Å; K95-E99 WeakPolarHBondContact O-CG 3.22Å; K95-E99 PolarHBondContact O-N 3.19Å |
| 96 | L | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 177.8 | -73.4 | 161.8 | 0 | 0 | 0 | 111.8 | I64 H68 L71 T92 L93 L100 T101 F103 | I64-L96 HydrophobicContact CD1-CD1 3.83Å; I64-L96 HydrophobicContact CG1-CD1 4.05Å; H68-L96 HydrophobicContact CB-CD1 4.47Å; H68-L96 HydrophobicContact CB-CD2 4.05Å; H68-L96 HydrophobicContact CB-CG 4.29Å; L71-L96 HydrophobicContact CD1-CD2 3.57Å; T92-L96 HydrophobicContact CG2-CD1 4.13Å; T92-L96 HydrophobicContact CG2-CG 4.47Å; T92-L96 PolarHBondContact O-N 3.43Å; L93-L96 PolarHBondContact O-N 3.31Å; L96-L100 PolarHBondContact O-N 2.93Å; L96-T101 HydrophobicContact CD2-CG2 3.96Å; L96-T101 PolarHBondContact O-N 3.15Å; L96-T101 VanDerWaalsContact O-N 3.12Å; L96-F103 HydrophobicContact CB-CD1 4.21Å; L96-F103 HydrophobicContact CB-CE1 3.65Å; L96-F103 HydrophobicContact CD1-CD1 4.04Å; L96-F103 HydrophobicContact CD1-CE1 3.38Å; L96-F103 HydrophobicContact CD1-CE2 4.29Å; L96-F103 HydrophobicContact CD1-CZ 3.55Å; L96-F103 HydrophobicContact CD2-CD1 4.09Å; L96-F103 HydrophobicContact CD2-CE1 4.17Å; L96-F103 HydrophobicContact CG-CD1 4.34Å; L96-F103 HydrophobicContact CG-CE1 3.91Å |
| 97 | A | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.9 | -48.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L93 K95 E99 L100 T132 P162 | L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 3.29Å; K95-A97 VanDerWaalsContact C-N 3.34Å; K95-A97 PolarHBondContact O-N 3.37Å; A97-E99 PolarHBondContact O-N 3.43Å; A97-L100 PolarHBondContact O-N 3.02Å; A97-T132 WeakPolarHBondContact CB-O 3.48Å; A97-P162 HydrophobicContact CB-CG 3.84Å |
| 98 | G | 97.8 | Very high | 98.6 | Very high | 40 Ų | 40 | 22.8 Ų | 22.8 | 41% | 0.412 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -63.9 | -24.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | Y94 K95 | Y94-G98 PolarHBondContact O-N 2.87Å; K95-G98 PolarHBondContact O-N 2.86Å |
| 99 | E | 98.1 | Very high | 98.6 | Very high | 36 Ų | 36 | 20.7 Ų | 20.7 | 17% | 0.168 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 0.8 | 177.4 | -67.6 | 168.5 | -165.4 | 0 | 0 | 113.2 | H68 Q72 K95 A97 T101 | H68-E99 IonicContact CD2-OE2 3.65Å; H68-E99 IonicContact CE1-OE1 3.37Å; H68-E99 IonicContact CE1-OE2 2.75Å; H68-E99 IonicContact NE2-OE1 3.49Å; H68-E99 IonicContact NE2-OE2 3.72Å; H68-E99 PolarHBondContact NE2-OE2 3.23Å; Q72-E99 PolarHBondContact NE2-OE2 3.38Å; K95-E99 WeakPolarHBondContact CE-OE1 3.37Å; K95-E99 IonicContact NZ-OE1 3.64Å; K95-E99 PolarHBondContact NZ-OE1 3.22Å; K95-E99 VanDerWaalsContact O-CB 3.27Å; K95-E99 WeakPolarHBondContact O-CB 3.4Å; K95-E99 VanDerWaalsContact O-CG 3.22Å; K95-E99 WeakPolarHBondContact O-CG 3.22Å; K95-E99 PolarHBondContact O-N 3.19Å; A97-E99 PolarHBondContact O-N 3.43Å; E99-T101 VanDerWaalsContact C-N 3.3Å; E99-T101 PolarHBondContact O-N 2.54Å |
| 100 | L | 98.3 | Very high | 98.6 | Very high | 13 Ų | 13 | 21.4 Ų | 21.4 | 7% | 0.068 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 54.3 | -176.5 | -62.5 | 172.6 | 0 | 0 | 0 | 111 | L96 A97 R160 V161 T228 W231 Y232 | L96-L100 PolarHBondContact O-N 2.93Å; A97-L100 PolarHBondContact O-N 3.02Å; L100-R160 CarbonylContact C-O 3.57Å; L100-R160 WeakPolarHBondContact CA-O 3.36Å; L100-R160 HydrophobicContact CB-CB 4.24Å; L100-R160 PolarHBondContact O-NE 3.38Å; L100-R160 PolarHBondContact O-NH2 3.21Å; L100-R160 VanDerWaalsContact O-NH2 3.12Å; L100-V161 HydrophobicContact CD2-CG2 4.38Å; L100-T228 HydrophobicContact CD1-CG2 4.13Å; L100-T228 HydrophobicContact CD2-CG2 4.21Å; L100-T228 HydrophobicContact CG-CG2 4.1Å; L100-W231 HydrophobicContact CD1-CB 4.41Å; L100-W231 HydrophobicContact CD1-CD2 3.45Å; L100-W231 VanDerWaalsContact CD1-CD2 3.45Å; L100-W231 HydrophobicContact CD1-CE3 3.74Å; L100-W231 HydrophobicContact CD1-CG 3.75Å; L100-W231 HydrophobicContact CD1-CH2 4.5Å; L100-W231 HydrophobicContact CD1-CZ2 4.27Å; L100-W231 HydrophobicContact CD1-CZ3 4.26Å; L100-W231 HydrophobicContact CD2-CB 3.87Å; L100-W231 HydrophobicContact CD2-CG 4.04Å; L100-Y232 HydrophobicContact CD2-CE2 4.43Å |
| 101 | T | 98.1 | Very high | 98.6 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 4% | 0.043 | 11% | 0.112 | C | C | . | . | trans | -98.5 | 116 | -178.4 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | L71 L96 E99 F103 R160 | L71-T101 HydrophobicContact CB-CG2 3.54Å; L71-T101 HydrophobicContact CD1-CG2 3.83Å; L71-T101 HydrophobicContact CD2-CG2 4.29Å; L71-T101 HydrophobicContact CG-CG2 4.1Å; L96-T101 HydrophobicContact CD2-CG2 3.96Å; L96-T101 PolarHBondContact O-N 3.15Å; L96-T101 VanDerWaalsContact O-N 3.12Å; E99-T101 VanDerWaalsContact C-N 3.3Å; E99-T101 PolarHBondContact O-N 2.54Å; T101-F103 PolarHBondContact O-N 3.47Å; T101-R160 CarbonylContact C-O 3.57Å; T101-R160 PolarHBondContact N-O 3.36Å | ||
| 102 | P | 98.2 | Very high | 98.6 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.019 | 9% | 0.092 | C | C | . | . | trans | -71.4 | 119.3 | 179.8 | 29.7 | -34.3 | 0 | 0 | 0 | 110.9 | L71 T156 L157 H199 | L71-P102 WeakPolarHBondContact CD2-O 3.28Å; P102-T156 WeakPolarHBondContact CA-OG1 3.46Å; P102-T156 HydrophobicContact CB-CG2 4.28Å; P102-T156 VanDerWaalsContact CB-O 3.29Å; P102-T156 WeakPolarHBondContact CB-O 3.04Å; P102-L157 HydrophobicContact CB-CD2 4.14Å; P102-L157 HydrophobicContact CG-CD2 4.24Å; P102-H199 HydrophobicContact CG-CB 4.33Å; P102-H199 WeakPolarHBondContact CG-ND1 3.39Å | ||
| 103 | F | 98.3 | Very high | 98.5 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | trans | -158.4 | 169.7 | 167.6 | 88.4 | -78.4 | 0 | 0 | 0 | 110.6 | I64 V67 L71 L93 L96 T101 L105 T156 P162 F163 | I64-F103 HydrophobicContact CD1-CE2 4.06Å; I64-F103 HydrophobicContact CD1-CZ 4.2Å; V67-F103 HydrophobicContact CG1-CD2 4.15Å; L71-F103 HydrophobicContact CD1-CB 3.56Å; L71-F103 HydrophobicContact CD1-CD1 4.15Å; L71-F103 HydrophobicContact CD1-CG 3.86Å; L71-F103 HydrophobicContact CD2-CB 3.88Å; L71-F103 HydrophobicContact CG-CB 4.39Å; L93-F103 HydrophobicContact CD2-CZ 3.78Å; L96-F103 HydrophobicContact CB-CD1 4.21Å; L96-F103 HydrophobicContact CB-CE1 3.65Å; L96-F103 HydrophobicContact CD1-CD1 4.04Å; L96-F103 HydrophobicContact CD1-CE1 3.38Å; L96-F103 HydrophobicContact CD1-CE2 4.29Å; L96-F103 HydrophobicContact CD1-CZ 3.55Å; L96-F103 HydrophobicContact CD2-CD1 4.09Å; L96-F103 HydrophobicContact CD2-CE1 4.17Å; L96-F103 HydrophobicContact CG-CD1 4.34Å; L96-F103 HydrophobicContact CG-CE1 3.91Å; T101-F103 PolarHBondContact O-N 3.47Å; F103-L105 HydrophobicContact CE2-CB 3.8Å; F103-L105 HydrophobicContact CZ-CB 4.34Å; F103-T156 PolarHBondContact N-OG1 2.9Å; F103-T156 PolarHBondContact O-OG1 2.86Å; F103-P162 HydrophobicContact CD1-CB 3.33Å; F103-P162 HydrophobicContact CE1-CB 3.14Å; F103-P162 HydrophobicContact CE1-CG 4.18Å; F103-P162 HydrophobicContact CG-CB 4.47Å; F103-P162 HydrophobicContact CZ-CB 4.19Å; F103-F163 PolarHBondContact O-N 3.12Å | ||
| 104 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.1 | 171.7 | -172.1 | 0 | 0 | 0 | 0 | 110 | T78 H106 S152 Q153 T156 F163 H165 | T78-V104 PolarHBondContact OG1-O 3.21Å; V104-H106 WeakPolarHBondContact CG1-CE1 3.45Å; V104-S152 WeakPolarHBondContact CG1-OG 3.28Å; V104-Q153 HydrophobicContact CG2-CB 4.32Å; V104-Q153 VanDerWaalsContact CG2-OE1 3.26Å; V104-T156 HydrophobicContact CG2-CG2 3.79Å; V104-F163 CarbonylContact C-O 3.43Å; V104-F163 WeakPolarHBondContact CA-O 3.46Å; V104-F163 HydrophobicContact CG1-CB 4.29Å; V104-F163 HydrophobicContact CG2-CB 4.19Å; V104-H165 HydrophobicContact CG1-CB 3.78Å |
| 105 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 128.7 | 164.4 | -174.6 | 61.4 | 0 | 0 | 0 | 109 | T81 L86 M89 L93 F103 V107 F163 I164 H165 | T81-L105 HydrophobicContact CG2-CD1 4.03Å; T81-L105 HydrophobicContact CG2-CD2 3.96Å; T81-L105 HydrophobicContact CG2-CG 4.2Å; L86-L105 HydrophobicContact CD1-CD2 3.57Å; M89-L105 HydrophobicContact CE-CD1 4.49Å; M89-L105 HydrophobicContact SD-CD1 3.87Å; M89-L105 HydrophobicContact SD-CD2 3.96Å; L93-L105 HydrophobicContact CD2-CD2 4.24Å; F103-L105 HydrophobicContact CE2-CB 3.8Å; F103-L105 HydrophobicContact CZ-CB 4.34Å; L105-V107 HydrophobicContact CD2-CG2 4.03Å; L105-V107 HydrophobicContact CG-CG2 3.9Å; L105-F163 PolarHBondContact N-O 2.84Å; L105-I164 HydrophobicContact CB-CG1 4.32Å; L105-I164 HydrophobicContact CD2-CG1 4.42Å; L105-I164 CarbonylContact O-C 3.5Å; L105-I164 WeakPolarHBondContact O-CA 3.22Å; L105-H165 PolarHBondContact O-N 3.13Å |
| 106 | H | 99 | Very high | 98.3 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.5 | 177.3 | -65.3 | -57.3 | 0 | 0 | 0 | 111.1 | V10 M32 S79 F80 T81 V104 H165 | V10-H106 HydrophobicContact CG1-CB 3.88Å; M32-H106 HydrophobicContact SD-CB 4.24Å; S79-H106 PolarHBondContact O-N 3Å; S79-H106 VanDerWaalsContact O-N 3.15Å; F80-H106 WeakPolarHBondContact CA-O 3.42Å; F80-H106 HydrophobicContact CD1-CB 3.86Å; F80-H106 HydrophobicContact CE1-CB 4.36Å; F80-H106 AromaticContact CE1-CD2 3.92Å; T81-H106 PolarHBondContact N-O 3.33Å; T81-H106 VanDerWaalsContact N-O 3.12Å; V104-H106 WeakPolarHBondContact CG1-CE1 3.45Å; H106-H165 CarbonylContact C-O 3.57Å; H106-H165 WeakPolarHBondContact CA-O 3.39Å; H106-H165 AromaticContact CE1-ND1 3.7Å; H106-H165 AromaticContact ND1-CG 3.68Å; H106-H165 AromaticContact ND1-ND1 3.09Å; H106-H165 PolarHBondContact ND1-ND1 3.4Å |
| 107 | V | 99 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.8 | -172.5 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | T81 L86 L105 A109 V126 I164 H165 F166 F167 | T81-V107 HydrophobicContact CG2-CG2 4.02Å; T81-V107 WeakPolarHBondContact O-CA 3.34Å; L86-V107 HydrophobicContact CD1-CG2 4.31Å; L86-V107 HydrophobicContact CD2-CG1 4.1Å; L86-V107 HydrophobicContact CD2-CG2 4.31Å; L105-V107 HydrophobicContact CD2-CG2 4.03Å; L105-V107 HydrophobicContact CG-CG2 3.9Å; V107-A109 PolarHBondContact O-N 3.3Å; V107-V126 HydrophobicContact CB-CG1 4.33Å; V107-V126 HydrophobicContact CG1-CG1 3.86Å; V107-I164 HydrophobicContact CB-CG2 4.38Å; V107-I164 HydrophobicContact CG2-CG2 3.79Å; V107-H165 PolarHBondContact N-O 2.83Å; V107-F166 HydrophobicContact CB-CB 3.93Å; V107-F166 WeakPolarHBondContact O-CA 3.48Å; V107-F166 WeakPolarHBondContact O-CB 3.43Å; V107-F167 PolarHBondContact O-N 3.47Å; V107-F167 VanDerWaalsContact O-N 3.13Å |
| 108 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 86.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | P28 M32 T81 S82 R110 F167 | P28-A108 HydrophobicContact CG-CB 3.9Å; M32-A108 HydrophobicContact CE-CB 4.24Å; T81-A108 PolarHBondContact O-N 3.06Å; S82-A108 WeakPolarHBondContact CB-O 3.46Å; S82-A108 PolarHBondContact OG-O 2.89Å; A108-R110 PolarHBondContact O-N 2.87Å; A108-F167 CarbonylContact C-O 3.54Å; A108-F167 WeakPolarHBondContact CA-O 3.16Å; A108-F167 HydrophobicContact CB-CE2 3.96Å; A108-F167 HydrophobicContact CB-CZ 4.36Å |
| 109 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 125.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V107 G121 D122 D125 V126 F166 F167 G169 | V107-A109 PolarHBondContact O-N 3.3Å; A109-G121 VanDerWaalsContact O-CA 3.29Å; A109-G121 WeakPolarHBondContact O-CA 3.25Å; A109-D122 CarbonylContact C-O 3.44Å; A109-D122 VanDerWaalsContact CB-O 3.32Å; A109-D122 WeakPolarHBondContact CB-O 3.37Å; A109-D125 WeakPolarHBondContact CA-OD2 3.34Å; A109-V126 HydrophobicContact CB-CG1 4.18Å; A109-V126 HydrophobicContact CB-CG2 4.39Å; A109-F166 HydrophobicContact CB-CD2 4.12Å; A109-F167 PolarHBondContact N-O 2.77Å; A109-G169 WeakPolarHBondContact O-CA 3.34Å; A109-G169 PolarHBondContact O-N 3.24Å |
| 110 | R | 98.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | trans | -137.3 | 145.9 | -168.9 | 171.8 | -172.1 | 153.6 | -178.8 | 2.9 | 111.1 | T27 S83 A108 V112 S118 I119 F120 D122 D125 | T27-R110 WeakPolarHBondContact O-CD 3.48Å; T27-R110 PolarHBondContact O-NH1 3.37Å; S83-R110 VanDerWaalsContact CB-CD 3.41Å; S83-R110 PolarHBondContact OG-NE 3.44Å; A108-R110 PolarHBondContact O-N 2.87Å; R110-V112 PolarHBondContact O-N 3.42Å; R110-S118 VanDerWaalsContact CZ-O 3.29Å; R110-S118 PolarHBondContact NE-O 3.07Å; R110-S118 PolarHBondContact NH2-O 3.42Å; R110-I119 WeakPolarHBondContact CD-O 3.49Å; R110-I119 WeakPolarHBondContact CG-O 3.29Å; R110-F120 WeakPolarHBondContact CA-O 3.48Å; R110-F120 WeakPolarHBondContact CG-O 3.48Å; R110-D122 PolarHBondContact N-O 3Å; R110-D125 VanDerWaalsContact N-CG 3.33Å; R110-D125 PolarHBondContact N-OD1 3.19Å; R110-D125 PolarHBondContact N-OD2 3.1Å; R110-D125 WeakPolarHBondContact O-CB 3.44Å | ||
| 111 | T | 98.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -51.1 | 131.4 | 173.9 | -52.3 | 0 | 0 | 0 | 0 | 113.2 | S83 F120 D122 S124 S367 | S83-T111 WeakPolarHBondContact CB-O 3.47Å; S83-T111 PolarHBondContact OG-O 3.11Å; T111-F120 PolarHBondContact N-O 3.34Å; T111-F120 PolarHBondContact OG1-O 3.43Å; T111-D122 WeakPolarHBondContact CA-OD1 3.21Å; T111-D122 WeakPolarHBondContact CB-OD2 3.39Å; T111-D122 WeakPolarHBondContact CG2-OD2 3.47Å; T111-D122 PolarHBondContact OG1-OD2 3.14Å; T111-S124 WeakPolarHBondContact CA-OG 3.41Å; T111-S367 WeakPolarHBondContact OG1-CA 3.15Å; T111-S367 WeakPolarHBondContact OG1-CB 3.34Å; T111-S367 PolarHBondContact OG1-N 3.29Å |
| 112 | V | 98.7 | Very high | 97.9 | Very high | 26 Ų | 26 | 25.7 Ų | 25.7 | 16% | 0.158 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 135.8 | 168.1 | 174.3 | 0 | 0 | 0 | 0 | 110 | L87 R110 T114 S124 D125 | L87-V112 HydrophobicContact CD1-CG1 3.83Å; L87-V112 HydrophobicContact CD1-CG2 4.21Å; R110-V112 PolarHBondContact O-N 3.42Å; V112-T114 PolarHBondContact O-N 3.01Å; V112-S124 PolarHBondContact N-OG 3.33Å; V112-D125 HydrophobicContact CG2-CB 3.99Å |
| 113 | A | 98.3 | Very high | 97.9 | Very high | 24 Ų | 24 | 25.8 Ų | 25.8 | 20% | 0.198 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 128.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | A116 L117 L875 | A113-A116 WeakPolarHBondContact CA-O 3.35Å; A113-L117 HydrophobicContact CB-CB 4.39Å; A113-L875 HydrophobicContact CB-CD2 4.25Å |
| 114 | T | 97.5 | Very high | 97.9 | Very high | 112 Ų | 112 | 26.8 Ų | 26.8 | 69% | 0.687 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -130.6 | -100.7 | -178.6 | 54.1 | 0 | 0 | 0 | 0 | 111 | V112 A116 | V112-T114 PolarHBondContact O-N 3.01Å; T114-A116 PolarHBondContact N-O 3.32Å; T114-A116 VanDerWaalsContact N-O 3.11Å |
| 115 | H | 96.8 | Very high | 97.9 | Very high | 124 Ų | 124 | 26.8 Ų | 26.8 | 57% | 0.574 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -71.5 | -20.7 | 168.9 | 72.4 | -71.9 | 0 | 0 | 0 | 112.1 | ||
| 116 | A | 96.5 | Very high | 97.9 | Very high | 38 Ų | 38 | 26.8 Ų | 26.8 | 31% | 0.314 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -153 | 158 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A113 T114 | A113-A116 WeakPolarHBondContact CA-O 3.35Å; T114-A116 PolarHBondContact N-O 3.32Å; T114-A116 VanDerWaalsContact N-O 3.11Å |
| 117 | L | 96.7 | Very high | 97.9 | Very high | 60 Ų | 60 | 26.9 Ų | 26.9 | 31% | 0.314 | 15% | 0.152 | S | C | . | . | trans | -75.5 | 140.1 | 166.6 | 176.3 | 145.2 | 0 | 0 | 0 | 109.9 | A113 I119 T845 | A113-L117 HydrophobicContact CB-CB 4.39Å; L117-I119 HydrophobicContact CD2-CG2 4.06Å; L117-T845 HydrophobicContact CD1-CG2 3.71Å | ||
| 118 | S | 95.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 28.4 Ų | 28.4 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | trans | -132.5 | 139.9 | 165.1 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | R110 F120 S367 | R110-S118 VanDerWaalsContact CZ-O 3.29Å; R110-S118 PolarHBondContact NE-O 3.07Å; R110-S118 PolarHBondContact NH2-O 3.42Å; S118-F120 VanDerWaalsContact C-N 3.35Å; S118-F120 PolarHBondContact OG-N 3.21Å; S118-S367 WeakPolarHBondContact CB-OG 3.24Å; S118-S367 PolarHBondContact OG-OG 3.23Å | ||
| 119 | I | 95.4 | Very high | 97.9 | Very high | 46 Ų | 46 | 28.4 Ų | 28.4 | 24% | 0.236 | 17% | 0.165 | C | C | . | . | trans | -87.3 | -9.5 | 171.6 | 66.2 | 174.5 | 0 | 0 | 0 | 112.6 | T27 R110 L117 F170 | T27-I119 HydrophobicContact CG2-CB 4.21Å; T27-I119 HydrophobicContact CG2-CD1 4.35Å; R110-I119 WeakPolarHBondContact CD-O 3.49Å; R110-I119 WeakPolarHBondContact CG-O 3.29Å; L117-I119 HydrophobicContact CD2-CG2 4.06Å; I119-F170 HydrophobicContact CB-CE2 4.27Å; I119-F170 HydrophobicContact CD1-CE2 4.18Å; I119-F170 HydrophobicContact CD1-CZ 3.84Å; I119-F170 HydrophobicContact CG1-CE2 3.97Å; I119-F170 HydrophobicContact CG1-CZ 4.16Å; I119-F170 WeakPolarHBondContact O-CE2 3.4Å | ||
| 120 | F | 96.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -87.6 | 168.5 | -167.5 | -64.3 | -70.7 | 0 | 0 | 0 | 113.5 | R110 T111 S118 F170 S367 | R110-F120 WeakPolarHBondContact CA-O 3.48Å; R110-F120 WeakPolarHBondContact CG-O 3.48Å; T111-F120 PolarHBondContact N-O 3.34Å; T111-F120 PolarHBondContact OG1-O 3.43Å; S118-F120 VanDerWaalsContact C-N 3.35Å; S118-F120 PolarHBondContact OG-N 3.21Å; F120-F170 AromaticContact CD1-CD2 3.86Å; F120-F170 HydrophobicContact CD1-CD2 3.86Å; F120-F170 HydrophobicContact CD1-CE2 4.16Å; F120-F170 HydrophobicContact CD1-CG 4.09Å; F120-F170 HydrophobicContact CE1-CD2 4.5Å; F120-S367 VanDerWaalsContact CB-C 3.45Å; F120-S367 WeakPolarHBondContact CB-O 3.46Å |
| 121 | G | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -87.6 | 126.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A109 G169 R325 S368 | A109-G121 VanDerWaalsContact O-CA 3.29Å; A109-G121 WeakPolarHBondContact O-CA 3.25Å; G121-G169 VanDerWaalsContact CA-O 3.29Å; G121-G169 WeakPolarHBondContact CA-O 3.42Å; G121-G169 PolarHBondContact N-O 2.96Å; G121-R325 PolarHBondContact O-NE 2.93Å; G121-S368 PolarHBondContact N-OG 3.5Å; G121-S368 PolarHBondContact O-N 3.41Å | ||
| 122 | D | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | trans | -153.7 | -173.5 | 158.7 | 69.7 | 39.9 | 0 | 0 | 0 | 108.9 | A109 R110 T111 S124 R325 S367 | A109-D122 CarbonylContact C-O 3.44Å; A109-D122 VanDerWaalsContact CB-O 3.32Å; A109-D122 WeakPolarHBondContact CB-O 3.37Å; R110-D122 PolarHBondContact N-O 3Å; T111-D122 WeakPolarHBondContact CA-OD1 3.21Å; T111-D122 WeakPolarHBondContact CB-OD2 3.39Å; T111-D122 WeakPolarHBondContact CG2-OD2 3.47Å; T111-D122 PolarHBondContact OG1-OD2 3.14Å; D122-S124 VanDerWaalsContact OD1-CB 3.25Å; D122-S124 WeakPolarHBondContact OD1-CB 3.5Å; D122-S124 PolarHBondContact OD1-N 2.88Å; D122-S124 PolarHBondContact OD1-OG 3.22Å; D122-R325 HydrophobicContact CB-CG 4.07Å; D122-R325 WeakPolarHBondContact CB-O 3.46Å; D122-S367 PolarHBondContact OD2-N 3.31Å | ||
| 123 | H | 98.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -101.1 | 11.1 | -175.4 | -63.4 | 166 | 0 | 0 | 0 | 113.8 | D125 V126 M127 F166 D168 R325 | H123-D125 PolarHBondContact O-N 2.77Å; H123-V126 HydrophobicContact CB-CG2 3.66Å; H123-V126 VanDerWaalsContact O-CG2 3.3Å; H123-V126 WeakPolarHBondContact O-CG2 3.37Å; H123-V126 PolarHBondContact O-N 2.74Å; H123-M127 HydrophobicContact CB-CE 4.34Å; H123-M127 HydrophobicContact CB-CG 4.15Å; H123-M127 VanDerWaalsContact O-CB 3.26Å; H123-M127 WeakPolarHBondContact O-CB 3.46Å; H123-M127 WeakPolarHBondContact O-CG 3.39Å; H123-M127 PolarHBondContact O-N 2.88Å; H123-F166 AromaticContact NE2-CE2 3.87Å; H123-D168 IonicContact CD2-OD1 2.73Å; H123-D168 IonicContact CE1-OD1 3.43Å; H123-D168 IonicContact NE2-OD1 3.22Å; H123-D168 PolarHBondContact NE2-OD1 2.97Å; H123-R325 HydrophobicContact CB-CB 4.26Å; H123-R325 PolarHBondContact N-O 3.47Å |
| 124 | S | 98.9 | Very high | 97.9 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -33.4 | -177.9 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | T111 V112 D122 A128 T326 | T111-S124 WeakPolarHBondContact CA-OG 3.41Å; V112-S124 PolarHBondContact N-OG 3.33Å; D122-S124 VanDerWaalsContact OD1-CB 3.25Å; D122-S124 WeakPolarHBondContact OD1-CB 3.5Å; D122-S124 PolarHBondContact OD1-N 2.88Å; D122-S124 PolarHBondContact OD1-OG 3.22Å; S124-A128 WeakPolarHBondContact O-CB 2.95Å; S124-A128 PolarHBondContact O-N 3.27Å; S124-A128 VanDerWaalsContact O-N 3.17Å; S124-T326 WeakPolarHBondContact CA-OG1 3.23Å |
| 125 | D | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.4 | -51.5 | 177.3 | 62.2 | -11.9 | 0 | 0 | 0 | 112.9 | S83 L86 A109 R110 V112 H123 M127 A128 | S83-D125 PolarHBondContact N-OD2 3.25Å; L86-D125 HydrophobicContact CD2-CB 4.08Å; A109-D125 WeakPolarHBondContact CA-OD2 3.34Å; R110-D125 VanDerWaalsContact N-CG 3.33Å; R110-D125 PolarHBondContact N-OD1 3.19Å; R110-D125 PolarHBondContact N-OD2 3.1Å; R110-D125 WeakPolarHBondContact O-CB 3.44Å; V112-D125 HydrophobicContact CG2-CB 3.99Å; H123-D125 PolarHBondContact O-N 2.77Å; D125-M127 VanDerWaalsContact C-N 3.28Å; D125-M127 PolarHBondContact O-N 3.22Å; D125-A128 WeakPolarHBondContact O-CB 3.46Å; D125-A128 PolarHBondContact O-N 3.04Å; D125-A128 VanDerWaalsContact O-N 3.11Å |
| 126 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.4 | -32.2 | 178.8 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | L86 V107 A109 H123 A128 V129 R130 M136 I164 F166 | L86-V126 HydrophobicContact CD2-CG1 4.05Å; V107-V126 HydrophobicContact CB-CG1 4.33Å; V107-V126 HydrophobicContact CG1-CG1 3.86Å; A109-V126 HydrophobicContact CB-CG1 4.18Å; A109-V126 HydrophobicContact CB-CG2 4.39Å; H123-V126 HydrophobicContact CB-CG2 3.66Å; H123-V126 VanDerWaalsContact O-CG2 3.3Å; H123-V126 WeakPolarHBondContact O-CG2 3.37Å; H123-V126 PolarHBondContact O-N 2.74Å; V126-A128 VanDerWaalsContact C-N 3.32Å; V126-A128 PolarHBondContact O-N 2.78Å; V126-V129 VanDerWaalsContact O-CG2 3.31Å; V126-V129 WeakPolarHBondContact O-CG2 3.47Å; V126-V129 PolarHBondContact O-N 3.07Å; V126-R130 PolarHBondContact O-N 3.31Å; V126-M136 HydrophobicContact CB-CE 3.74Å; V126-M136 HydrophobicContact CG2-CE 4.45Å; V126-M136 WeakPolarHBondContact O-CE 3.23Å; V126-I164 HydrophobicContact CG1-CG2 4.47Å; V126-F166 HydrophobicContact CB-CD2 4.41Å; V126-F166 HydrophobicContact CB-CG 4.47Å; V126-F166 HydrophobicContact CG1-CB 3.89Å; V126-F166 HydrophobicContact CG1-CD1 4.43Å; V126-F166 HydrophobicContact CG1-CD2 4.03Å; V126-F166 HydrophobicContact CG1-CG 3.87Å; V126-F166 HydrophobicContact CG2-CD2 3.97Å; V126-F166 HydrophobicContact CG2-CE2 3.86Å; V126-F166 HydrophobicContact CG2-CZ 4.33Å |
| 127 | M | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.02 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.6 | -25.9 | 174.2 | -66.3 | -57.5 | 126.4 | 0 | 0 | 112.8 | H123 D125 V129 R130 M136 M272 Y301 T326 P335 | H123-M127 HydrophobicContact CB-CE 4.34Å; H123-M127 HydrophobicContact CB-CG 4.15Å; H123-M127 VanDerWaalsContact O-CB 3.26Å; H123-M127 WeakPolarHBondContact O-CB 3.46Å; H123-M127 WeakPolarHBondContact O-CG 3.39Å; H123-M127 PolarHBondContact O-N 2.88Å; D125-M127 VanDerWaalsContact C-N 3.28Å; D125-M127 PolarHBondContact O-N 3.22Å; M127-V129 PolarHBondContact O-N 2.92Å; M127-R130 WeakPolarHBondContact O-CG 3.32Å; M127-R130 PolarHBondContact O-NH1 3.14Å; M127-M136 HydrophobicContact CE-CE 4.2Å; M127-M272 HydrophobicContact CE-CE 4.14Å; M127-Y301 HydrophobicContact CE-CD1 3.84Å; M127-Y301 HydrophobicContact CE-CE1 3.66Å; M127-Y301 HydrophobicContact SD-CD1 4.39Å; M127-Y301 HydrophobicContact SD-CE1 3.59Å; M127-Y301 VanDerWaalsContact SD-CE1 3.59Å; M127-T326 HydrophobicContact CB-CG2 4.46Å; M127-T326 HydrophobicContact CG-CG2 3.98Å; M127-P335 HydrophobicContact CB-CG 4.25Å; M127-P335 HydrophobicContact CG-CG 4.19Å; M127-P335 HydrophobicContact SD-CB 3.87Å; M127-P335 HydrophobicContact SD-CG 4.06Å |
| 128 | A | 98.8 | Very high | 98.3 | Very high | 32 Ų | 32 | 16.8 Ų | 16.8 | 26% | 0.264 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -14.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L87 S124 D125 V126 Q131 | L87-A128 HydrophobicContact CD2-CB 3.56Å; S124-A128 WeakPolarHBondContact O-CB 2.95Å; S124-A128 PolarHBondContact O-N 3.27Å; S124-A128 VanDerWaalsContact O-N 3.17Å; D125-A128 WeakPolarHBondContact O-CB 3.46Å; D125-A128 PolarHBondContact O-N 3.04Å; D125-A128 VanDerWaalsContact O-N 3.11Å; V126-A128 VanDerWaalsContact C-N 3.32Å; V126-A128 PolarHBondContact O-N 2.78Å; A128-Q131 PolarHBondContact O-NE2 2.77Å; A128-Q131 PolarHBondContact O-OE1 3.21Å |
| 129 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 6.1 | -178.7 | -51.3 | 0 | 0 | 0 | 0 | 114.1 | L86 I90 L93 V126 M127 Q131 T132 I164 | L86-V129 HydrophobicContact CD1-CG1 4.21Å; L86-V129 HydrophobicContact CD1-CG2 4.39Å; L86-V129 HydrophobicContact CD2-CG1 4.16Å; L86-V129 HydrophobicContact CD2-CG2 3.97Å; L86-V129 HydrophobicContact CG-CG1 3.79Å; L86-V129 HydrophobicContact CG-CG2 4.32Å; I90-V129 HydrophobicContact CD1-CG1 3.9Å; I90-V129 HydrophobicContact CG1-CG1 3.53Å; L93-V129 HydrophobicContact CD1-CB 4.41Å; L93-V129 HydrophobicContact CD1-CG1 4.44Å; V126-V129 VanDerWaalsContact O-CG2 3.31Å; V126-V129 WeakPolarHBondContact O-CG2 3.47Å; V126-V129 PolarHBondContact O-N 3.07Å; M127-V129 PolarHBondContact O-N 2.92Å; V129-Q131 PolarHBondContact O-N 3.16Å; V129-T132 HydrophobicContact CB-CG2 3.92Å; V129-T132 WeakPolarHBondContact O-CB 3.44Å; V129-T132 VanDerWaalsContact O-CG2 3.3Å; V129-T132 WeakPolarHBondContact O-CG2 3.4Å; V129-T132 PolarHBondContact O-N 3.29Å; V129-T132 PolarHBondContact O-OG1 3.04Å; V129-I164 HydrophobicContact CB-CD1 4.49Å; V129-I164 HydrophobicContact CG2-CD1 3.48Å; V129-I164 VanDerWaalsContact CG2-CD1 3.48Å |
| 130 | R | 98.5 | Very high | 98.6 | Very high | 64 Ų | 64 | 14.2 Ų | 14.2 | 24% | 0.242 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -20.1 | -176.4 | 73.5 | -178.1 | -177.7 | -91.7 | 16.6 | 114.6 | V126 M127 M136 Y301 E328 | V126-R130 PolarHBondContact O-N 3.31Å; M127-R130 WeakPolarHBondContact O-CG 3.32Å; M127-R130 PolarHBondContact O-NH1 3.14Å; R130-M136 HydrophobicContact CB-SD 3.98Å; R130-Y301 HydrophobicContact CB-CE1 4.22Å; R130-E328 IonicContact CZ-OE1 3.41Å; R130-E328 VanDerWaalsContact CZ-OE1 3.24Å; R130-E328 IonicContact NH1-OE1 2.75Å; R130-E328 PolarHBondContact NH1-OE1 3.38Å; R130-E328 IonicContact NH2-OE1 3.7Å; R130-E328 PolarHBondContact NH2-OE1 3.03Å; R130-E328 IonicContact NH2-OE2 2.77Å; R130-E328 PolarHBondContact NH2-OE2 3.23Å |
| 131 | Q | 98.4 | Very high | 98.7 | Very high | 88 Ų | 88 | 14.2 Ų | 14.2 | 41% | 0.411 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -5.9 | -178.8 | 73 | -76.1 | -3.4 | 0 | 0 | 114.1 | Y94 A128 V129 G133 | Y94-Q131 WeakPolarHBondContact CE1-O 3.42Å; Y94-Q131 WeakPolarHBondContact OH-CG 3.46Å; A128-Q131 PolarHBondContact O-NE2 2.77Å; A128-Q131 PolarHBondContact O-OE1 3.21Å; V129-Q131 PolarHBondContact O-N 3.16Å; Q131-G133 PolarHBondContact O-N 3.07Å |
| 132 | T | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -65.3 | -20.8 | -176.8 | 55.6 | 0 | 0 | 0 | 0 | 113 | I90 L93 Y94 A97 V129 C134 | I90-T132 HydrophobicContact CG2-CG2 4.31Å; L93-T132 HydrophobicContact CB-CG2 3.9Å; L93-T132 HydrophobicContact CD1-CG2 4.29Å; Y94-T132 HydrophobicContact CD2-CG2 4.26Å; Y94-T132 HydrophobicContact CE2-CG2 4.11Å; A97-T132 WeakPolarHBondContact CB-O 3.48Å; V129-T132 HydrophobicContact CB-CG2 3.92Å; V129-T132 WeakPolarHBondContact O-CB 3.44Å; V129-T132 VanDerWaalsContact O-CG2 3.3Å; V129-T132 WeakPolarHBondContact O-CG2 3.4Å; V129-T132 PolarHBondContact O-N 3.29Å; V129-T132 PolarHBondContact O-OG1 3.04Å; T132-C134 PolarHBondContact OG1-N 3.47Å |
| 133 | G | 98.5 | Very high | 98.7 | Very high | 14 Ų | 14 | 15.6 Ų | 15.6 | 14% | 0.144 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 93.5 | 3.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q131 Y232 | Q131-G133 PolarHBondContact O-N 3.07Å; G133-Y232 WeakPolarHBondContact CA-OH 3.15Å; G133-Y232 WeakPolarHBondContact O-CE1 3.14Å; G133-Y232 VanDerWaalsContact O-CZ 3.26Å; G133-Y232 PolarHBondContact O-OH 2.76Å |
| 134 | C | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.027 | 9% | 0.087 | C | C | . | . | trans | -70.9 | 141.5 | 168.4 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | T132 P162 I164 | T132-C134 PolarHBondContact OG1-N 3.47Å; C134-P162 CarbonylContact C-O 3.49Å; C134-P162 WeakPolarHBondContact CA-O 3.45Å; C134-I164 HydrophobicContact CB-CD1 3.86Å; C134-I164 HydrophobicContact CB-CG1 3.84Å | ||
| 135 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 150.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V161 P162 F163 I164 V235 R302 | A135-V161 HydrophobicContact CB-CG1 4.14Å; A135-P162 PolarHBondContact N-O 2.96Å; A135-F163 HydrophobicContact CB-CD1 3.78Å; A135-F163 HydrophobicContact CB-CD2 3.77Å; A135-F163 HydrophobicContact CB-CE1 3.64Å; A135-F163 HydrophobicContact CB-CE2 3.61Å; A135-F163 HydrophobicContact CB-CG 3.84Å; A135-F163 HydrophobicContact CB-CZ 3.54Å; A135-F163 CarbonylContact O-C 3.55Å; A135-F163 WeakPolarHBondContact O-CA 3.26Å; A135-I164 PolarHBondContact O-N 3.13Å; A135-V235 HydrophobicContact CB-CG1 4.19Å; A135-R302 CarbonylContact C-O 3.5Å; A135-R302 WeakPolarHBondContact CA-O 3.3Å; A135-R302 WeakPolarHBondContact CB-O 3.15Å |
| 136 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 115.1 | -174.5 | -63.9 | 175.1 | 74.1 | 0 | 0 | 110 | V126 M127 R130 I164 F166 Y301 R302 | V126-M136 HydrophobicContact CB-CE 3.74Å; V126-M136 HydrophobicContact CG2-CE 4.45Å; V126-M136 WeakPolarHBondContact O-CE 3.23Å; M127-M136 HydrophobicContact CE-CE 4.2Å; R130-M136 HydrophobicContact CB-SD 3.98Å; M136-I164 WeakPolarHBondContact CA-O 3.43Å; M136-I164 HydrophobicContact CG-CB 4.35Å; M136-F166 HydrophobicContact CB-CE1 4.14Å; M136-F166 HydrophobicContact CE-CE1 4.33Å; M136-Y301 HydrophobicContact CB-CD1 4.4Å; M136-Y301 HydrophobicContact CE-CD1 4.06Å; M136-Y301 PolarHBondContact O-N 2.92Å; M136-Y301 HydrophobicContact SD-CD1 3.8Å; M136-Y301 HydrophobicContact SD-CE1 4.25Å; M136-R302 HydrophobicContact CB-CB 4Å; M136-R302 HydrophobicContact CG-CB 3.99Å; M136-R302 HydrophobicContact CG-CG 4.34Å; M136-R302 PolarHBondContact N-O 3.37Å; M136-R302 PolarHBondContact O-N 3.32Å; M136-R302 HydrophobicContact SD-CB 4.18Å; M136-R302 HydrophobicContact SD-CG 3.85Å |
| 137 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.3 | -178 | -172.1 | 68.3 | 0 | 0 | 0 | 110.1 | F148 I151 F163 I164 H165 F166 V239 M243 R299 L300 | L137-F148 HydrophobicContact CD1-CD2 4.42Å; L137-F148 HydrophobicContact CD2-CB 3.79Å; L137-F148 HydrophobicContact CD2-CD2 4.21Å; L137-F148 HydrophobicContact CD2-CG 3.96Å; L137-F148 HydrophobicContact CG-CB 4.31Å; L137-F148 HydrophobicContact CG-CD2 3.97Å; L137-F148 HydrophobicContact CG-CG 4.24Å; L137-I151 HydrophobicContact CD2-CG2 4.22Å; L137-F163 HydrophobicContact CB-CD1 4.26Å; L137-I164 PolarHBondContact N-O 2.96Å; L137-H165 WeakPolarHBondContact O-CA 3.21Å; L137-F166 WeakPolarHBondContact O-CD1 3.28Å; L137-F166 PolarHBondContact O-N 3.13Å; L137-V239 HydrophobicContact CD1-CG1 4.44Å; L137-M243 HydrophobicContact CD1-CE 4Å; L137-R299 CarbonylContact C-O 3.35Å; L137-R299 WeakPolarHBondContact CA-O 2.86Å; L137-R299 HydrophobicContact CD1-CB 4.17Å; L137-L300 HydrophobicContact CD1-CB 4.37Å; L137-L300 HydrophobicContact CD1-CD1 4.41Å |
| 138 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.5 | -174.9 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | F148 F166 M272 G273 R299 | C138-F148 WeakPolarHBondContact O-CE2 3.18Å; C138-F166 CarbonylContact C-O 3.45Å; C138-F166 WeakPolarHBondContact CA-O 3.22Å; C138-F166 HydrophobicContact CB-CD1 4.36Å; C138-F166 HydrophobicContact CB-CD2 4.48Å; C138-F166 HydrophobicContact CB-CE1 3.66Å; C138-F166 HydrophobicContact CB-CE2 3.82Å; C138-F166 HydrophobicContact CB-CZ 3.38Å; C138-F166 WeakPolarHBondContact SG-CE2 3.48Å; C138-M272 HydrophobicContact CB-CE 4.19Å; C138-G273 VanDerWaalsContact SG-CA 3.51Å; C138-G273 PolarHBondContact SG-N 3.31Å; C138-R299 PolarHBondContact N-O 2.94Å |
| 139 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 145 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E144 A145 F148 F166 F167 | A139-E144 HydrophobicContact CB-CB 3.82Å; A139-A145 HydrophobicContact CB-CB 4.14Å; A139-F148 HydrophobicContact CB-CD2 3.76Å; A139-F148 HydrophobicContact CB-CE2 4.37Å; A139-F148 HydrophobicContact CB-CG 4.42Å; A139-F166 PolarHBondContact N-O 3.45Å; A139-F167 HydrophobicContact CB-CB 4.23Å |
| 140 | A | 98.5 | Very high | 98.7 | Very high | 6 Ų | 6 | 13.5 Ų | 13.5 | 5% | 0.05 | 7% | 0.068 | C | C | . | . | trans | -100.2 | -20 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | E144 G273 S274 I276 | A140-E144 WeakPolarHBondContact CA-OE2 3.44Å; A140-E144 VanDerWaalsContact CB-OE2 3.28Å; A140-E144 WeakPolarHBondContact CB-OE2 3.34Å; A140-E144 PolarHBondContact N-OE2 2.93Å; A140-G273 WeakPolarHBondContact CB-O 3.22Å; A140-S274 WeakPolarHBondContact O-CA 3.5Å; A140-S274 WeakPolarHBondContact O-CB 3.4Å; A140-I276 HydrophobicContact CB-CB 4.02Å; A140-I276 HydrophobicContact CB-CD1 4.03Å; A140-I276 HydrophobicContact CB-CG2 4.48Å | ||
| 141 | N | 98.5 | Very high | 98.7 | Very high | 56 Ų | 56 | 10.4 Ų | 10.4 | 30% | 0.299 | 6% | 0.056 | S | C | . | . | S | Bend | trans | -147.9 | 175.5 | -177.7 | 60.1 | 61.9 | 0 | 0 | 0 | 111 | Q143 E144 A145 | N141-Q143 VanDerWaalsContact C-N 3.34Å; N141-Q143 PolarHBondContact O-N 3.36Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.49Å; N141-Q143 PolarHBondContact OD1-N 3.2Å; N141-Q143 VanDerWaalsContact OD1-N 3.13Å; N141-E144 VanDerWaalsContact ND2-CD 3.28Å; N141-E144 PolarHBondContact ND2-OE1 3.15Å; N141-E144 PolarHBondContact O-N 3.41Å; N141-E144 PolarHBondContact OD1-N 2.6Å; N141-A145 WeakPolarHBondContact O-CB 3.43Å; N141-A145 PolarHBondContact O-N 3.43Å |
| 142 | V | 98.5 | Very high | 98.8 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.006 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | -176 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | I4 A9 A145 Q146 E175 N177 I179 | I4-V142 HydrophobicContact CG2-CG1 4.46Å; A9-V142 HydrophobicContact CB-CG1 4.31Å; V142-A145 PolarHBondContact O-N 2.66Å; V142-Q146 PolarHBondContact O-N 3.5Å; V142-E175 HydrophobicContact CG2-CB 4.32Å; V142-E175 HydrophobicContact CG2-CG 4.49Å; V142-E175 VanDerWaalsContact CG2-O 3.25Å; V142-E175 WeakPolarHBondContact CG2-O 3.48Å; V142-N177 HydrophobicContact CB-CB 3.92Å; V142-N177 HydrophobicContact CG1-CB 4.37Å; V142-N177 HydrophobicContact CG2-CB 3.79Å; V142-I179 HydrophobicContact CB-CG2 4.09Å; V142-I179 HydrophobicContact CG1-CD1 4.34Å; V142-I179 HydrophobicContact CG1-CG2 3.76Å |
| 143 | Q | 98.4 | Very high | 98.7 | Very high | 30 Ų | 30 | 6.6 Ų | 6.6 | 14% | 0.14 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -65.8 | -47 | 178 | 179.2 | 69.4 | 71.3 | 0 | 0 | 110.8 | N141 A145 Q146 D147 I179 V180 | N141-Q143 VanDerWaalsContact C-N 3.34Å; N141-Q143 PolarHBondContact O-N 3.36Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.49Å; N141-Q143 PolarHBondContact OD1-N 3.2Å; N141-Q143 VanDerWaalsContact OD1-N 3.13Å; Q143-A145 VanDerWaalsContact C-N 3.31Å; Q143-A145 PolarHBondContact O-N 3.08Å; Q143-Q146 WeakPolarHBondContact O-CB 3.46Å; Q143-Q146 PolarHBondContact O-N 3.4Å; Q143-D147 PolarHBondContact NE2-OD1 2.79Å; Q143-D147 PolarHBondContact NE2-OD2 3.09Å; Q143-D147 PolarHBondContact O-N 3.29Å; Q143-I179 HydrophobicContact CB-CB 4.48Å; Q143-I179 HydrophobicContact CB-CG2 4.11Å; Q143-V180 PolarHBondContact NE2-O 2.9Å; Q143-V180 VanDerWaalsContact NE2-O 3.14Å |
| 144 | E | 98.7 | Very high | 98.8 | Very high | 15 Ų | 15 | 6 Ų | 6 | 7% | 0.07 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -65.5 | -34.9 | 176.6 | -72.3 | 174 | -163.1 | 0 | 0 | 112.2 | A139 A140 N141 Q146 D147 F148 Y254 R299 | A139-E144 HydrophobicContact CB-CB 3.82Å; A140-E144 WeakPolarHBondContact CA-OE2 3.44Å; A140-E144 VanDerWaalsContact CB-OE2 3.28Å; A140-E144 WeakPolarHBondContact CB-OE2 3.34Å; A140-E144 PolarHBondContact N-OE2 2.93Å; N141-E144 VanDerWaalsContact ND2-CD 3.28Å; N141-E144 PolarHBondContact ND2-OE1 3.15Å; N141-E144 PolarHBondContact O-N 3.41Å; N141-E144 PolarHBondContact OD1-N 2.6Å; E144-Q146 VanDerWaalsContact C-N 3.29Å; E144-Q146 PolarHBondContact O-N 2.64Å; E144-D147 PolarHBondContact O-N 3.44Å; E144-F148 HydrophobicContact CB-CD2 4.49Å; E144-F148 HydrophobicContact CB-CE2 4.36Å; E144-F148 HydrophobicContact CB-CZ 4.43Å; E144-F148 HydrophobicContact CG-CZ 4.35Å; E144-F148 WeakPolarHBondContact O-CB 3.17Å; E144-F148 VanDerWaalsContact O-CG 3.3Å; E144-F148 WeakPolarHBondContact O-CG 3.27Å; E144-F148 PolarHBondContact O-N 2.85Å; E144-Y254 HydrophobicContact CG-CE1 3.8Å; E144-R299 VanDerWaalsContact CD-NH1 3.33Å; E144-R299 VanDerWaalsContact CD-NH2 3.32Å; E144-R299 IonicContact OE1-CZ 2.8Å; E144-R299 IonicContact OE1-NH1 2.93Å; E144-R299 PolarHBondContact OE1-NH1 2.89Å; E144-R299 IonicContact OE1-NH2 3.35Å; E144-R299 PolarHBondContact OE1-NH2 3.45Å; E144-R299 IonicContact OE2-CZ 2.85Å; E144-R299 VanDerWaalsContact OE2-CZ 3.27Å; E144-R299 IonicContact OE2-NH1 3.08Å; E144-R299 PolarHBondContact OE2-NH1 3.09Å; E144-R299 IonicContact OE2-NH2 3.16Å; E144-R299 PolarHBondContact OE2-NH2 3.13Å |
| 145 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V10 A139 N141 V142 Q143 A149 H165 F167 T172 | V10-A145 HydrophobicContact CG2-CB 3.73Å; V10-A145 VanDerWaalsContact CG2-O 3.31Å; V10-A145 WeakPolarHBondContact CG2-O 3.47Å; A139-A145 HydrophobicContact CB-CB 4.14Å; N141-A145 WeakPolarHBondContact O-CB 3.43Å; N141-A145 PolarHBondContact O-N 3.43Å; V142-A145 PolarHBondContact O-N 2.66Å; Q143-A145 VanDerWaalsContact C-N 3.31Å; Q143-A145 PolarHBondContact O-N 3.08Å; A145-A149 WeakPolarHBondContact O-CB 3.23Å; A145-A149 PolarHBondContact O-N 2.71Å; A145-H165 PolarHBondContact O-CE1 3.46Å; A145-F167 HydrophobicContact CB-CB 4.42Å; A145-F167 HydrophobicContact CB-CD1 4.24Å; A145-F167 HydrophobicContact CB-CG 4.19Å; A145-T172 HydrophobicContact CB-CG2 4.43Å |
| 146 | Q | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 5.7 Ų | 5.7 | 1% | 0.014 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.4 | -51.7 | 172.4 | -171.4 | -170.7 | -109.4 | 0 | 0 | 112.1 | A9 V13 V142 Q143 E144 F148 A149 I179 V180 L182 | A9-Q146 HydrophobicContact CB-CB 3.92Å; A9-Q146 HydrophobicContact CB-CG 4.38Å; V13-Q146 HydrophobicContact CG2-CG 3.8Å; V142-Q146 PolarHBondContact O-N 3.5Å; Q143-Q146 WeakPolarHBondContact O-CB 3.46Å; Q143-Q146 PolarHBondContact O-N 3.4Å; E144-Q146 VanDerWaalsContact C-N 3.29Å; E144-Q146 PolarHBondContact O-N 2.64Å; Q146-F148 PolarHBondContact O-N 2.73Å; Q146-A149 WeakPolarHBondContact O-CB 3.26Å; Q146-A149 PolarHBondContact O-N 2.84Å; Q146-I179 HydrophobicContact CB-CD1 4.35Å; Q146-V180 PolarHBondContact NE2-O 3.18Å; Q146-L182 HydrophobicContact CG-CD1 4.16Å; Q146-L182 HydrophobicContact CG-CG 4.4Å |
| 147 | D | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | -171 | -65.4 | -6.9 | 0 | 0 | 0 | 110.9 | Q143 E144 A149 L150 I151 F246 R252 Y254 | Q143-D147 PolarHBondContact NE2-OD1 2.79Å; Q143-D147 PolarHBondContact NE2-OD2 3.09Å; Q143-D147 PolarHBondContact O-N 3.29Å; E144-D147 PolarHBondContact O-N 3.44Å; D147-A149 VanDerWaalsContact C-N 3.33Å; D147-A149 PolarHBondContact O-N 2.92Å; D147-L150 PolarHBondContact O-N 3.06Å; D147-L150 VanDerWaalsContact O-N 3.17Å; D147-I151 WeakPolarHBondContact O-CG1 3.4Å; D147-I151 PolarHBondContact O-N 3.01Å; D147-F246 HydrophobicContact CB-CE1 3.77Å; D147-F246 HydrophobicContact CB-CE2 4.24Å; D147-F246 HydrophobicContact CB-CZ 3.48Å; D147-F246 VanDerWaalsContact CB-CZ 3.48Å; D147-F246 WeakPolarHBondContact OD1-CZ 3.27Å; D147-R252 IonicContact OD1-CZ 3.78Å; D147-R252 IonicContact OD1-NE 3.62Å; D147-R252 IonicContact OD1-NH2 3.27Å; D147-R252 PolarHBondContact OD1-NH2 2.56Å; D147-R252 IonicContact OD2-CZ 3.76Å; D147-R252 IonicContact OD2-NE 3.73Å; D147-R252 PolarHBondContact OD2-NE 2.98Å; D147-R252 IonicContact OD2-NH2 3.43Å; D147-Y254 HydrophobicContact CB-CE2 3.91Å; D147-Y254 PolarHBondContact OD2-OH 3.15Å |
| 148 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -75.2 | -22.2 | 179.9 | -68.7 | 3.5 | 0 | 0 | 0 | 112.7 | L137 C138 A139 E144 Q146 L150 I151 S152 H165 M243 Y254 R299 | L137-F148 HydrophobicContact CD1-CD2 4.42Å; L137-F148 HydrophobicContact CD2-CB 3.79Å; L137-F148 HydrophobicContact CD2-CD2 4.21Å; L137-F148 HydrophobicContact CD2-CG 3.96Å; L137-F148 HydrophobicContact CG-CB 4.31Å; L137-F148 HydrophobicContact CG-CD2 3.97Å; L137-F148 HydrophobicContact CG-CG 4.24Å; C138-F148 WeakPolarHBondContact O-CE2 3.18Å; A139-F148 HydrophobicContact CB-CD2 3.76Å; A139-F148 HydrophobicContact CB-CE2 4.37Å; A139-F148 HydrophobicContact CB-CG 4.42Å; E144-F148 HydrophobicContact CB-CD2 4.49Å; E144-F148 HydrophobicContact CB-CE2 4.36Å; E144-F148 HydrophobicContact CB-CZ 4.43Å; E144-F148 HydrophobicContact CG-CZ 4.35Å; E144-F148 WeakPolarHBondContact O-CB 3.17Å; E144-F148 VanDerWaalsContact O-CG 3.3Å; E144-F148 WeakPolarHBondContact O-CG 3.27Å; E144-F148 PolarHBondContact O-N 2.85Å; Q146-F148 PolarHBondContact O-N 2.73Å; F148-L150 VanDerWaalsContact C-N 3.3Å; F148-L150 PolarHBondContact O-N 2.8Å; F148-I151 HydrophobicContact CD1-CD1 3.83Å; F148-I151 HydrophobicContact CE1-CD1 4.18Å; F148-S152 VanDerWaalsContact O-CB 3.24Å; F148-S152 WeakPolarHBondContact O-CB 3.33Å; F148-S152 PolarHBondContact O-N 3.16Å; F148-S152 PolarHBondContact O-OG 3.2Å; F148-H165 WeakPolarHBondContact CB-NE2 3.21Å; F148-M243 HydrophobicContact CE1-CE 4.14Å; F148-M243 HydrophobicContact CZ-CE 4.19Å; F148-Y254 AromaticContact CE1-CD1 3.86Å; F148-Y254 HydrophobicContact CE1-CD1 3.86Å; F148-Y254 AromaticContact CE1-CD2 3.75Å; F148-Y254 HydrophobicContact CE1-CD2 3.75Å; F148-Y254 HydrophobicContact CE1-CE1 4.24Å; F148-Y254 HydrophobicContact CE1-CE2 4.12Å; F148-Y254 AromaticContact CE1-CG 3.59Å; F148-Y254 HydrophobicContact CE1-CG 3.59Å; F148-Y254 HydrophobicContact CZ-CD1 4.03Å; F148-Y254 HydrophobicContact CZ-CG 4.1Å; F148-R299 HydrophobicContact CE2-CB 4.17Å; F148-R299 HydrophobicContact CE2-CG 4.29Å; F148-R299 HydrophobicContact CZ-CB 4.44Å; F148-R299 HydrophobicContact CZ-CG 4.27Å |
| 149 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.008 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V10 V13 A145 Q146 D147 S152 Q153 | V10-A149 HydrophobicContact CG1-CB 4.29Å; V13-A149 HydrophobicContact CB-CB 3.86Å; V13-A149 HydrophobicContact CG1-CB 3.83Å; V13-A149 HydrophobicContact CG2-CB 4.44Å; A145-A149 WeakPolarHBondContact O-CB 3.23Å; A145-A149 PolarHBondContact O-N 2.71Å; Q146-A149 WeakPolarHBondContact O-CB 3.26Å; Q146-A149 PolarHBondContact O-N 2.84Å; D147-A149 VanDerWaalsContact C-N 3.33Å; D147-A149 PolarHBondContact O-N 2.92Å; A149-S152 PolarHBondContact O-OG 3.23Å; A149-Q153 PolarHBondContact O-N 3.16Å |
| 150 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -77.1 | -45.1 | 176.6 | -177.1 | 59.8 | 0 | 0 | 0 | 111.9 | V13 T17 D147 F148 S152 Q153 I154 L182 I187 L190 M191 F246 | V13-L150 HydrophobicContact CG1-CB 3.9Å; T17-L150 HydrophobicContact CG2-CD1 4.17Å; D147-L150 PolarHBondContact O-N 3.06Å; D147-L150 VanDerWaalsContact O-N 3.17Å; F148-L150 VanDerWaalsContact C-N 3.3Å; F148-L150 PolarHBondContact O-N 2.8Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 2.98Å; L150-Q153 WeakPolarHBondContact O-CA 2.9Å; L150-Q153 WeakPolarHBondContact O-CB 3.47Å; L150-Q153 PolarHBondContact O-N 3.01Å; L150-I154 HydrophobicContact CD1-CD1 4.36Å; L150-I154 HydrophobicContact CD1-CG1 4.37Å; L150-I154 HydrophobicContact CG-CD1 3.97Å; L150-I154 HydrophobicContact CG-CG1 4.44Å; L150-I154 WeakPolarHBondContact O-CG1 3.45Å; L150-I154 PolarHBondContact O-N 2.97Å; L150-L182 HydrophobicContact CB-CD1 4.19Å; L150-L182 HydrophobicContact CD2-CD1 3.97Å; L150-I187 HydrophobicContact CD1-CG2 4.13Å; L150-I187 HydrophobicContact CD2-CG1 4.19Å; L150-L190 HydrophobicContact CD2-CB 4.37Å; L150-L190 HydrophobicContact CD2-CD1 3.71Å; L150-M191 HydrophobicContact CD1-SD 4.1Å; L150-F246 HydrophobicContact CD2-CD2 4.17Å; L150-F246 HydrophobicContact CD2-CE2 4.04Å |
| 151 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | -179.6 | -73.3 | 158.6 | 0 | 0 | 0 | 111.2 | L137 D147 F148 Q153 I154 A155 A242 M243 F246 Y254 | L137-I151 HydrophobicContact CD2-CG2 4.22Å; D147-I151 WeakPolarHBondContact O-CG1 3.4Å; D147-I151 PolarHBondContact O-N 3.01Å; F148-I151 HydrophobicContact CD1-CD1 3.83Å; F148-I151 HydrophobicContact CE1-CD1 4.18Å; I151-Q153 VanDerWaalsContact C-N 3.32Å; I151-Q153 PolarHBondContact O-N 3.46Å; I151-I154 PolarHBondContact O-N 3.4Å; I151-A155 VanDerWaalsContact O-CB 3.3Å; I151-A155 WeakPolarHBondContact O-CB 3.26Å; I151-A155 PolarHBondContact O-N 3.3Å; I151-A242 HydrophobicContact CG2-CB 4.01Å; I151-M243 HydrophobicContact CD1-CG 4.09Å; I151-M243 HydrophobicContact CG2-CG 3.91Å; I151-F246 HydrophobicContact CD1-CB 4.05Å; I151-F246 HydrophobicContact CD1-CD1 4.07Å; I151-F246 HydrophobicContact CD1-CD2 4.24Å; I151-F246 HydrophobicContact CD1-CG 3.86Å; I151-F246 HydrophobicContact CG1-CB 3.93Å; I151-F246 HydrophobicContact CG1-CD2 4Å; I151-F246 HydrophobicContact CG1-CG 3.96Å; I151-Y254 HydrophobicContact CD1-CD2 3.95Å; I151-Y254 HydrophobicContact CD1-CE2 4.43Å |
| 152 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.1 | -35 | 175.4 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | V104 F148 A149 L150 A155 T156 | V104-S152 WeakPolarHBondContact CG1-OG 3.28Å; F148-S152 VanDerWaalsContact O-CB 3.24Å; F148-S152 WeakPolarHBondContact O-CB 3.33Å; F148-S152 PolarHBondContact O-N 3.16Å; F148-S152 PolarHBondContact O-OG 3.2Å; A149-S152 PolarHBondContact O-OG 3.23Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 2.98Å; S152-A155 PolarHBondContact O-N 2.79Å; S152-T156 VanDerWaalsContact O-CB 3.29Å; S152-T156 WeakPolarHBondContact O-CB 3.38Å; S152-T156 WeakPolarHBondContact O-CG2 3.42Å; S152-T156 PolarHBondContact O-N 3.38Å |
| 153 | Q | 98.6 | Very high | 98.7 | Very high | 7 Ų | 7 | 8 Ų | 8 | 3% | 0.033 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 175 | -172.5 | 65.8 | 11.3 | 0 | 0 | 112 | V104 A149 L150 I151 T156 L157 M191 | V104-Q153 HydrophobicContact CG2-CB 4.32Å; V104-Q153 VanDerWaalsContact CG2-OE1 3.26Å; A149-Q153 PolarHBondContact O-N 3.16Å; L150-Q153 WeakPolarHBondContact O-CA 2.9Å; L150-Q153 WeakPolarHBondContact O-CB 3.47Å; L150-Q153 PolarHBondContact O-N 3.01Å; I151-Q153 VanDerWaalsContact C-N 3.32Å; I151-Q153 PolarHBondContact O-N 3.46Å; Q153-T156 VanDerWaalsContact O-CG2 3.3Å; Q153-T156 WeakPolarHBondContact O-CG2 3.43Å; Q153-L157 HydrophobicContact CG-CD1 4.46Å; Q153-L157 WeakPolarHBondContact O-CD1 3.45Å; Q153-L157 WeakPolarHBondContact O-CG 3.41Å; Q153-L157 PolarHBondContact O-N 3.04Å; Q153-M191 HydrophobicContact CG-CE 3.86Å; Q153-M191 HydrophobicContact CG-SD 3.96Å |
| 154 | I | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -67.2 | -47.7 | 175.5 | -60.1 | 162.9 | 0 | 0 | 0 | 110 | L150 I151 T156 L157 K158 L190 P192 A242 | L150-I154 HydrophobicContact CD1-CD1 4.36Å; L150-I154 HydrophobicContact CD1-CG1 4.37Å; L150-I154 HydrophobicContact CG-CD1 3.97Å; L150-I154 HydrophobicContact CG-CG1 4.44Å; L150-I154 WeakPolarHBondContact O-CG1 3.45Å; L150-I154 PolarHBondContact O-N 2.97Å; I151-I154 PolarHBondContact O-N 3.4Å; I154-T156 PolarHBondContact O-N 3.38Å; I154-L157 PolarHBondContact O-N 3.27Å; I154-K158 HydrophobicContact CG2-CD 4.13Å; I154-K158 WeakPolarHBondContact O-CG 3.38Å; I154-K158 PolarHBondContact O-N 2.88Å; I154-L190 HydrophobicContact CD1-CB 3.86Å; I154-P192 HydrophobicContact CG2-CG 4.47Å; I154-A242 HydrophobicContact CB-CB 4.04Å; I154-A242 HydrophobicContact CG2-CB 3.83Å |
| 155 | A | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I151 S152 K158 S159 F163 V239 A242 | I151-A155 VanDerWaalsContact O-CB 3.3Å; I151-A155 WeakPolarHBondContact O-CB 3.26Å; I151-A155 PolarHBondContact O-N 3.3Å; S152-A155 PolarHBondContact O-N 2.79Å; A155-K158 PolarHBondContact O-N 2.94Å; A155-S159 VanDerWaalsContact O-CB 3.24Å; A155-S159 WeakPolarHBondContact O-CB 3.46Å; A155-S159 PolarHBondContact O-N 3.08Å; A155-S159 PolarHBondContact O-OG 3.06Å; A155-F163 HydrophobicContact CB-CE1 4.24Å; A155-F163 HydrophobicContact CB-CE2 4.07Å; A155-F163 HydrophobicContact CB-CZ 3.7Å; A155-V239 HydrophobicContact CB-CG2 3.78Å; A155-A242 HydrophobicContact CB-CB 4.37Å |
| 156 | T | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 176.9 | -163.7 | 0 | 0 | 0 | 0 | 110.8 | P102 F103 V104 S152 Q153 I154 R160 V161 | P102-T156 WeakPolarHBondContact CA-OG1 3.46Å; P102-T156 HydrophobicContact CB-CG2 4.28Å; P102-T156 VanDerWaalsContact CB-O 3.29Å; P102-T156 WeakPolarHBondContact CB-O 3.04Å; F103-T156 PolarHBondContact N-OG1 2.9Å; F103-T156 PolarHBondContact O-OG1 2.86Å; V104-T156 HydrophobicContact CG2-CG2 3.79Å; S152-T156 VanDerWaalsContact O-CB 3.29Å; S152-T156 WeakPolarHBondContact O-CB 3.38Å; S152-T156 WeakPolarHBondContact O-CG2 3.42Å; S152-T156 PolarHBondContact O-N 3.38Å; Q153-T156 VanDerWaalsContact O-CG2 3.3Å; Q153-T156 WeakPolarHBondContact O-CG2 3.43Å; I154-T156 PolarHBondContact O-N 3.38Å; T156-R160 WeakPolarHBondContact O-CA 3.35Å; T156-R160 PolarHBondContact O-N 2.88Å; T156-V161 PolarHBondContact OG1-O 3.17Å |
| 157 | L | 98.6 | Very high | 98.7 | Very high | 3 Ų | 3 | 5.7 Ų | 5.7 | 2% | 0.016 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -66.3 | -44.2 | 178.3 | -73.3 | 167.1 | 0 | 0 | 0 | 112.1 | L76 P102 Q153 I154 M191 P192 E195 I196 | L76-L157 HydrophobicContact CD2-CD2 3.93Å; P102-L157 HydrophobicContact CB-CD2 4.14Å; P102-L157 HydrophobicContact CG-CD2 4.24Å; Q153-L157 HydrophobicContact CG-CD1 4.46Å; Q153-L157 WeakPolarHBondContact O-CD1 3.45Å; Q153-L157 WeakPolarHBondContact O-CG 3.41Å; Q153-L157 PolarHBondContact O-N 3.04Å; I154-L157 PolarHBondContact O-N 3.27Å; L157-M191 HydrophobicContact CD1-CE 3.47Å; L157-M191 VanDerWaalsContact CD1-CE 3.47Å; L157-P192 HydrophobicContact CB-CG 3.6Å; L157-P192 HydrophobicContact CD1-CG 3.76Å; L157-P192 HydrophobicContact CG-CG 4.33Å; L157-E195 HydrophobicContact CB-CB 4.2Å; L157-I196 HydrophobicContact CD1-CD1 4.37Å; L157-I196 HydrophobicContact CD1-CG1 3.85Å; L157-I196 HydrophobicContact CD2-CG1 4.18Å |
| 158 | K | 98.3 | Very high | 98.7 | Very high | 52 Ų | 52 | 5.7 Ų | 5.7 | 23% | 0.226 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -65.9 | -45 | 177 | -69.5 | -174.5 | 179 | -176.8 | 0 | 112.8 | I154 A155 P192 H238 D245 | I154-K158 HydrophobicContact CG2-CD 4.13Å; I154-K158 WeakPolarHBondContact O-CG 3.38Å; I154-K158 PolarHBondContact O-N 2.88Å; A155-K158 PolarHBondContact O-N 2.94Å; K158-P192 HydrophobicContact CG-CB 4.33Å; K158-P192 HydrophobicContact CG-CG 4.45Å; K158-H238 HydrophobicContact CB-CB 4.34Å; K158-D245 IonicContact NZ-OD2 2.59Å; K158-D245 PolarHBondContact NZ-OD2 3.37Å |
| 159 | S | 98.2 | Very high | 98.7 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.007 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -86.9 | -18.8 | -175.4 | 67.9 | 0 | 0 | 0 | 0 | 114.7 | A155 V161 W231 | A155-S159 VanDerWaalsContact O-CB 3.24Å; A155-S159 WeakPolarHBondContact O-CB 3.46Å; A155-S159 PolarHBondContact O-N 3.08Å; A155-S159 PolarHBondContact O-OG 3.06Å; S159-V161 PolarHBondContact O-N 2.9Å; S159-V161 VanDerWaalsContact O-N 3.13Å; S159-V161 PolarHBondContact OG-N 2.95Å; S159-W231 VanDerWaalsContact O-CD1 3.31Å |
| 160 | R | 98.4 | Very high | 98.6 | Very high | 55 Ų | 55 | 6.2 Ų | 6.2 | 21% | 0.208 | 3% | 0.026 | C | C | . | . | trans | 61 | 2.3 | -166.7 | -59.1 | -179.9 | 54.7 | -161 | -7.1 | 115.8 | L100 T101 T156 | L100-R160 CarbonylContact C-O 3.57Å; L100-R160 WeakPolarHBondContact CA-O 3.36Å; L100-R160 HydrophobicContact CB-CB 4.24Å; L100-R160 PolarHBondContact O-NE 3.38Å; L100-R160 PolarHBondContact O-NH2 3.21Å; L100-R160 VanDerWaalsContact O-NH2 3.12Å; T101-R160 CarbonylContact C-O 3.57Å; T101-R160 PolarHBondContact N-O 3.36Å; T156-R160 WeakPolarHBondContact O-CA 3.35Å; T156-R160 PolarHBondContact O-N 2.88Å | ||
| 161 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.027 | C | C | . | . | trans | -87.6 | 129.6 | 178 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | L100 A135 T156 S159 F163 W231 Y232 V235 | L100-V161 HydrophobicContact CD2-CG2 4.38Å; A135-V161 HydrophobicContact CB-CG1 4.14Å; T156-V161 PolarHBondContact OG1-O 3.17Å; S159-V161 PolarHBondContact O-N 2.9Å; S159-V161 VanDerWaalsContact O-N 3.13Å; S159-V161 PolarHBondContact OG-N 2.95Å; V161-F163 WeakPolarHBondContact O-CD2 3.24Å; V161-F163 WeakPolarHBondContact O-CE2 3.36Å; V161-W231 HydrophobicContact CG2-CB 4.2Å; V161-Y232 HydrophobicContact CG1-CD1 4.36Å; V161-Y232 HydrophobicContact CG1-CE1 3.79Å; V161-Y232 HydrophobicContact CG2-CD1 4.47Å; V161-Y232 HydrophobicContact CG2-CE1 4.42Å; V161-V235 HydrophobicContact CB-CG2 3.87Å; V161-V235 HydrophobicContact CG1-CG2 4.23Å; V161-V235 HydrophobicContact CG2-CG2 3.6Å | ||
| 162 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.028 | C | C | . | . | trans | -65.7 | 146.6 | 177.9 | 27.1 | -35.9 | 0 | 0 | 0 | 112.6 | A97 F103 C134 A135 | A97-P162 HydrophobicContact CB-CG 3.84Å; F103-P162 HydrophobicContact CD1-CB 3.33Å; F103-P162 HydrophobicContact CE1-CB 3.14Å; F103-P162 HydrophobicContact CE1-CG 4.18Å; F103-P162 HydrophobicContact CG-CB 4.47Å; F103-P162 HydrophobicContact CZ-CB 4.19Å; C134-P162 CarbonylContact C-O 3.49Å; C134-P162 WeakPolarHBondContact CA-O 3.45Å; A135-P162 PolarHBondContact N-O 2.96Å | ||
| 163 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143.1 | -178.9 | -86.5 | -111 | 0 | 0 | 0 | 112.4 | F103 V104 L105 A135 L137 A155 V161 V235 V239 L300 | F103-F163 PolarHBondContact O-N 3.12Å; V104-F163 CarbonylContact C-O 3.43Å; V104-F163 WeakPolarHBondContact CA-O 3.46Å; V104-F163 HydrophobicContact CG1-CB 4.29Å; V104-F163 HydrophobicContact CG2-CB 4.19Å; L105-F163 PolarHBondContact N-O 2.84Å; A135-F163 HydrophobicContact CB-CD1 3.78Å; A135-F163 HydrophobicContact CB-CD2 3.77Å; A135-F163 HydrophobicContact CB-CE1 3.64Å; A135-F163 HydrophobicContact CB-CE2 3.61Å; A135-F163 HydrophobicContact CB-CG 3.84Å; A135-F163 HydrophobicContact CB-CZ 3.54Å; A135-F163 CarbonylContact O-C 3.55Å; A135-F163 WeakPolarHBondContact O-CA 3.26Å; L137-F163 HydrophobicContact CB-CD1 4.26Å; A155-F163 HydrophobicContact CB-CE1 4.24Å; A155-F163 HydrophobicContact CB-CE2 4.07Å; A155-F163 HydrophobicContact CB-CZ 3.7Å; V161-F163 WeakPolarHBondContact O-CD2 3.24Å; V161-F163 WeakPolarHBondContact O-CE2 3.36Å; F163-V235 HydrophobicContact CE2-CG1 4.26Å; F163-V235 HydrophobicContact CZ-CG1 3.74Å; F163-V239 HydrophobicContact CE1-CG2 3.75Å; F163-V239 HydrophobicContact CZ-CG2 3.53Å; F163-L300 HydrophobicContact CE1-CD1 4.14Å |
| 164 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 107 | 159.4 | -63.9 | 175 | 0 | 0 | 0 | 106.3 | L93 L105 V107 V126 V129 C134 A135 M136 L137 F166 | L93-I164 HydrophobicContact CD1-CD1 4.37Å; L105-I164 HydrophobicContact CB-CG1 4.32Å; L105-I164 HydrophobicContact CD2-CG1 4.42Å; L105-I164 CarbonylContact O-C 3.5Å; L105-I164 WeakPolarHBondContact O-CA 3.22Å; V107-I164 HydrophobicContact CB-CG2 4.38Å; V107-I164 HydrophobicContact CG2-CG2 3.79Å; V126-I164 HydrophobicContact CG1-CG2 4.47Å; V129-I164 HydrophobicContact CB-CD1 4.49Å; V129-I164 HydrophobicContact CG2-CD1 3.48Å; V129-I164 VanDerWaalsContact CG2-CD1 3.48Å; C134-I164 HydrophobicContact CB-CD1 3.86Å; C134-I164 HydrophobicContact CB-CG1 3.84Å; A135-I164 PolarHBondContact O-N 3.13Å; M136-I164 WeakPolarHBondContact CA-O 3.43Å; M136-I164 HydrophobicContact CG-CB 4.35Å; L137-I164 PolarHBondContact N-O 2.96Å; I164-F166 HydrophobicContact CG2-CB 4.37Å; I164-F166 HydrophobicContact CG2-CD1 4.41Å |
| 165 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118 | 169.3 | 167.5 | -121.9 | 0 | 0 | 0 | 108.3 | V104 L105 H106 V107 L137 A145 F148 F167 | V104-H165 HydrophobicContact CG1-CB 3.78Å; L105-H165 PolarHBondContact O-N 3.13Å; H106-H165 CarbonylContact C-O 3.57Å; H106-H165 WeakPolarHBondContact CA-O 3.39Å; H106-H165 AromaticContact CE1-ND1 3.7Å; H106-H165 AromaticContact ND1-CG 3.68Å; H106-H165 AromaticContact ND1-ND1 3.09Å; H106-H165 PolarHBondContact ND1-ND1 3.4Å; V107-H165 PolarHBondContact N-O 2.83Å; L137-H165 WeakPolarHBondContact O-CA 3.21Å; A145-H165 PolarHBondContact O-CE1 3.46Å; F148-H165 WeakPolarHBondContact CB-NE2 3.21Å; H165-F167 AromaticContact CE1-CD1 3.68Å; H165-F167 AromaticContact CE1-CE1 3.87Å |
| 166 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154.8 | -175.9 | 74.2 | -79.5 | 0 | 0 | 0 | 113.8 | V107 A109 H123 V126 M136 L137 C138 A139 I164 M272 | V107-F166 HydrophobicContact CB-CB 3.93Å; V107-F166 WeakPolarHBondContact O-CA 3.48Å; V107-F166 WeakPolarHBondContact O-CB 3.43Å; A109-F166 HydrophobicContact CB-CD2 4.12Å; H123-F166 AromaticContact NE2-CE2 3.87Å; V126-F166 HydrophobicContact CB-CD2 4.41Å; V126-F166 HydrophobicContact CB-CG 4.47Å; V126-F166 HydrophobicContact CG1-CB 3.89Å; V126-F166 HydrophobicContact CG1-CD1 4.43Å; V126-F166 HydrophobicContact CG1-CD2 4.03Å; V126-F166 HydrophobicContact CG1-CG 3.87Å; V126-F166 HydrophobicContact CG2-CD2 3.97Å; V126-F166 HydrophobicContact CG2-CE2 3.86Å; V126-F166 HydrophobicContact CG2-CZ 4.33Å; M136-F166 HydrophobicContact CB-CE1 4.14Å; M136-F166 HydrophobicContact CE-CE1 4.33Å; L137-F166 WeakPolarHBondContact O-CD1 3.28Å; L137-F166 PolarHBondContact O-N 3.13Å; C138-F166 CarbonylContact C-O 3.45Å; C138-F166 WeakPolarHBondContact CA-O 3.22Å; C138-F166 HydrophobicContact CB-CD1 4.36Å; C138-F166 HydrophobicContact CB-CD2 4.48Å; C138-F166 HydrophobicContact CB-CE1 3.66Å; C138-F166 HydrophobicContact CB-CE2 3.82Å; C138-F166 HydrophobicContact CB-CZ 3.38Å; C138-F166 WeakPolarHBondContact SG-CE2 3.48Å; A139-F166 PolarHBondContact N-O 3.45Å; I164-F166 HydrophobicContact CG2-CB 4.37Å; I164-F166 HydrophobicContact CG2-CD1 4.41Å; F166-M272 HydrophobicContact CE1-CE 4.39Å; F166-M272 HydrophobicContact CE2-CE 4.28Å; F166-M272 HydrophobicContact CZ-CE 3.48Å; F166-M272 VanDerWaalsContact CZ-CE 3.48Å |
| 167 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 156.1 | -178.7 | 46 | -82.6 | 0 | 0 | 0 | 108.9 | V10 M32 V107 A108 A109 A139 A145 H165 G169 T172 | V10-F167 HydrophobicContact CB-CE1 4.21Å; V10-F167 HydrophobicContact CB-CZ 4.15Å; V10-F167 HydrophobicContact CG1-CE1 4.08Å; V10-F167 HydrophobicContact CG1-CZ 4.29Å; V10-F167 HydrophobicContact CG2-CD1 4.22Å; V10-F167 HydrophobicContact CG2-CE1 3.59Å; V10-F167 HydrophobicContact CG2-CZ 3.8Å; M32-F167 HydrophobicContact CE-CZ 3.88Å; M32-F167 HydrophobicContact SD-CZ 3.84Å; V107-F167 PolarHBondContact O-N 3.47Å; V107-F167 VanDerWaalsContact O-N 3.13Å; A108-F167 CarbonylContact C-O 3.54Å; A108-F167 WeakPolarHBondContact CA-O 3.16Å; A108-F167 HydrophobicContact CB-CE2 3.96Å; A108-F167 HydrophobicContact CB-CZ 4.36Å; A109-F167 PolarHBondContact N-O 2.77Å; A139-F167 HydrophobicContact CB-CB 4.23Å; A145-F167 HydrophobicContact CB-CB 4.42Å; A145-F167 HydrophobicContact CB-CD1 4.24Å; A145-F167 HydrophobicContact CB-CG 4.19Å; H165-F167 AromaticContact CE1-CD1 3.68Å; H165-F167 AromaticContact CE1-CE1 3.87Å; F167-G169 PolarHBondContact O-N 2.69Å; F167-T172 HydrophobicContact CB-CG2 4.01Å; F167-T172 HydrophobicContact CD2-CG2 4.34Å |
| 168 | D | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 124.4 | -166.8 | -62.3 | -3.8 | 0 | 0 | 0 | 111.9 | H123 R171 T172 S173 S274 R325 | H123-D168 IonicContact CD2-OD1 2.73Å; H123-D168 IonicContact CE1-OD1 3.43Å; H123-D168 IonicContact NE2-OD1 3.22Å; H123-D168 PolarHBondContact NE2-OD1 2.97Å; D168-R171 HydrophobicContact CB-CB 4.03Å; D168-T172 PolarHBondContact O-N 3.49Å; D168-S173 PolarHBondContact O-N 3.35Å; D168-S274 VanDerWaalsContact OD2-CB 3.25Å; D168-S274 WeakPolarHBondContact OD2-CB 3.11Å; D168-S274 PolarHBondContact OD2-N 2.84Å; D168-S274 PolarHBondContact OD2-OG 2.99Å; D168-R325 IonicContact OD2-CZ 2.6Å; D168-R325 IonicContact OD2-NH1 3.51Å; D168-R325 PolarHBondContact OD2-NH1 3Å |
| 169 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 136.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A109 G121 F167 R171 | A109-G169 WeakPolarHBondContact O-CA 3.34Å; A109-G169 PolarHBondContact O-N 3.24Å; G121-G169 VanDerWaalsContact CA-O 3.29Å; G121-G169 WeakPolarHBondContact CA-O 3.42Å; G121-G169 PolarHBondContact N-O 2.96Å; F167-G169 PolarHBondContact O-N 2.69Å; G169-R171 PolarHBondContact O-N 2.81Å |
| 170 | F | 97 | Very high | 98 | Very high | 11 Ų | 11 | 10.4 Ų | 10.4 | 5% | 0.048 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | -60 | -163 | -70.3 | -91.8 | 0 | 0 | 0 | 115.5 | T27 P28 I119 F120 T172 S173 H174 E175 Y452 | T27-F170 HydrophobicContact CG2-CE2 3.97Å; T27-F170 HydrophobicContact CG2-CZ 3.78Å; P28-F170 HydrophobicContact CB-CD2 3.94Å; P28-F170 HydrophobicContact CB-CE2 3.75Å; P28-F170 HydrophobicContact CB-CZ 4.29Å; P28-F170 HydrophobicContact CG-CD2 4.08Å; P28-F170 HydrophobicContact CG-CE2 4.15Å; I119-F170 HydrophobicContact CB-CE2 4.27Å; I119-F170 HydrophobicContact CD1-CE2 4.18Å; I119-F170 HydrophobicContact CD1-CZ 3.84Å; I119-F170 HydrophobicContact CG1-CE2 3.97Å; I119-F170 HydrophobicContact CG1-CZ 4.16Å; I119-F170 WeakPolarHBondContact O-CE2 3.4Å; F120-F170 AromaticContact CD1-CD2 3.86Å; F120-F170 HydrophobicContact CD1-CD2 3.86Å; F120-F170 HydrophobicContact CD1-CE2 4.16Å; F120-F170 HydrophobicContact CD1-CG 4.09Å; F120-F170 HydrophobicContact CE1-CD2 4.5Å; F170-T172 PolarHBondContact O-N 3.41Å; F170-T172 VanDerWaalsContact O-N 3.13Å; F170-S173 WeakPolarHBondContact CA-OG 3.42Å; F170-S173 PolarHBondContact N-OG 3.4Å; F170-H174 HydrophobicContact CD1-CB 4.28Å; F170-H174 WeakPolarHBondContact O-CB 3.24Å; F170-H174 PolarHBondContact O-N 2.73Å; F170-E175 PolarHBondContact O-N 2.73Å; F170-Y452 HydrophobicContact CB-CE2 4.42Å |
| 171 | R | 98.1 | Very high | 97.9 | Very high | 9 Ų | 9 | 10.2 Ų | 10.2 | 3% | 0.034 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -33.7 | -171 | -166.6 | 59.6 | -96.4 | -174.3 | -7 | 114.1 | D168 G169 E175 S274 A478 | D168-R171 HydrophobicContact CB-CB 4.03Å; G169-R171 PolarHBondContact O-N 2.81Å; R171-E175 IonicContact CZ-OE2 2.7Å; R171-E175 IonicContact NE-OE2 2.91Å; R171-E175 IonicContact NH2-OE2 3.42Å; R171-E175 PolarHBondContact NH2-OE2 2.91Å; R171-E175 WeakPolarHBondContact O-CB 3.49Å; R171-S274 VanDerWaalsContact CG-OG 3.24Å; R171-S274 WeakPolarHBondContact CG-OG 3.37Å; R171-A478 VanDerWaalsContact CD-O 3.26Å; R171-A478 WeakPolarHBondContact CD-O 3.38Å; R171-A478 VanDerWaalsContact CZ-C 3.5Å; R171-A478 PolarHBondContact NE-O 2.81Å |
| 172 | T | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.012 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -43.9 | 171.3 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | G6 A145 F167 D168 F170 H174 E175 | G6-T172 WeakPolarHBondContact CA-O 3.45Å; G6-T172 PolarHBondContact N-O 3.29Å; A145-T172 HydrophobicContact CB-CG2 4.43Å; F167-T172 HydrophobicContact CB-CG2 4.01Å; F167-T172 HydrophobicContact CD2-CG2 4.34Å; D168-T172 PolarHBondContact O-N 3.49Å; F170-T172 PolarHBondContact O-N 3.41Å; F170-T172 VanDerWaalsContact O-N 3.13Å; T172-H174 VanDerWaalsContact C-N 3.28Å; T172-H174 PolarHBondContact O-N 3.13Å; T172-E175 PolarHBondContact O-N 3.42Å |
| 173 | S | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.2 | -175.5 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | G6 N7 D168 F170 | G6-S173 PolarHBondContact N-O 2.97Å; N7-S173 PolarHBondContact N-O 2.85Å; N7-S173 WeakPolarHBondContact OD1-CB 3.26Å; D168-S173 PolarHBondContact O-N 3.35Å; F170-S173 WeakPolarHBondContact CA-OG 3.42Å; F170-S173 PolarHBondContact N-OG 3.4Å |
| 174 | H | 97 | Very high | 97.7 | Very high | 32 Ų | 32 | 17.1 Ų | 17.1 | 15% | 0.148 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -2.7 | -177.9 | -74.4 | 56 | 0 | 0 | 0 | 113.3 | N7 P28 F170 T172 I176 | N7-H174 PolarHBondContact ND2-CE1 3.38Å; P28-H174 VanDerWaalsContact CB-CE1 3.47Å; P28-H174 WeakPolarHBondContact CB-CE1 3.48Å; P28-H174 PolarHBondContact O-CE1 3.06Å; F170-H174 HydrophobicContact CD1-CB 4.28Å; F170-H174 WeakPolarHBondContact O-CB 3.24Å; F170-H174 PolarHBondContact O-N 2.73Å; T172-H174 VanDerWaalsContact C-N 3.28Å; T172-H174 PolarHBondContact O-N 3.13Å; H174-I176 PolarHBondContact O-N 2.86Å |
| 175 | E | 97.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | trans | -68.8 | 122.4 | 170 | -179.8 | 176.6 | 118.9 | 0 | 0 | 108.4 | D5 V142 F170 R171 T172 N177 Q450 G451 Y452 | D5-E175 WeakPolarHBondContact CA-O 3.33Å; D5-E175 WeakPolarHBondContact CB-O 3.41Å; V142-E175 HydrophobicContact CG2-CB 4.32Å; V142-E175 HydrophobicContact CG2-CG 4.49Å; V142-E175 VanDerWaalsContact CG2-O 3.25Å; V142-E175 WeakPolarHBondContact CG2-O 3.48Å; F170-E175 PolarHBondContact O-N 2.73Å; R171-E175 IonicContact CZ-OE2 2.7Å; R171-E175 IonicContact NE-OE2 2.91Å; R171-E175 IonicContact NH2-OE2 3.42Å; R171-E175 PolarHBondContact NH2-OE2 2.91Å; R171-E175 WeakPolarHBondContact O-CB 3.49Å; T172-E175 PolarHBondContact O-N 3.42Å; E175-N177 PolarHBondContact OE1-ND2 2.95Å; E175-Q450 HydrophobicContact CG-CG 3.93Å; E175-Q450 PolarHBondContact OE1-NE2 3.03Å; E175-Q450 VanDerWaalsContact OE1-NE2 3.16Å; E175-Q450 PolarHBondContact OE2-NE2 2.9Å; E175-G451 CarbonylContact C-O 3.49Å; E175-G451 WeakPolarHBondContact CA-O 3.48Å; E175-Y452 HydrophobicContact CB-CD2 4.47Å | ||
| 176 | I | 97.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.4 | 171.4 | -63 | 178.1 | 0 | 0 | 0 | 107.5 | T3 I4 D5 H174 K435 I438 Q450 G451 F453 | T3-I176 HydrophobicContact CG2-CG2 3.48Å; T3-I176 VanDerWaalsContact CG2-CG2 3.48Å; I4-I176 WeakPolarHBondContact O-CA 3.34Å; D5-I176 HydrophobicContact CB-CG1 4.17Å; H174-I176 PolarHBondContact O-N 2.86Å; I176-K435 HydrophobicContact CD1-CB 4.21Å; I176-K435 HydrophobicContact CD1-CD 4.15Å; I176-K435 HydrophobicContact CD1-CG 3.72Å; I176-I438 HydrophobicContact CB-CG2 4.31Å; I176-I438 HydrophobicContact CG2-CG2 3.62Å; I176-Q450 CarbonylContact O-C 3.54Å; I176-Q450 VanDerWaalsContact O-CA 3.27Å; I176-Q450 WeakPolarHBondContact O-CA 3.34Å; I176-G451 PolarHBondContact N-O 2.78Å; I176-G451 PolarHBondContact O-N 3.39Å; I176-F453 HydrophobicContact CD1-CE2 3.68Å; I176-F453 HydrophobicContact CD1-CZ 3.99Å; I176-F453 HydrophobicContact CG1-CE2 4.11Å |
| 177 | N | 96.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 159.2 | 178 | -147.3 | -42.8 | 0 | 0 | 0 | 110.6 | T3 I4 V142 E175 I179 | T3-N177 WeakPolarHBondContact CA-O 3.35Å; I4-N177 PolarHBondContact N-O 3.1Å; I4-N177 PolarHBondContact O-N 3.24Å; I4-N177 VanDerWaalsContact O-O 3.06Å; V142-N177 HydrophobicContact CB-CB 3.92Å; V142-N177 HydrophobicContact CG1-CB 4.37Å; V142-N177 HydrophobicContact CG2-CB 3.79Å; E175-N177 PolarHBondContact OE1-ND2 2.95Å; N177-I179 HydrophobicContact CB-CG2 4.44Å |
| 178 | K | 95.9 | Very high | 97.4 | Very high | 16 Ų | 16 | 28 Ų | 28 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 114.1 | 175 | -174.5 | 177.9 | 179.1 | 174.7 | 0 | 109.3 | M1 I2 G442 T445 W447 A449 | M1-K178 HydrophobicContact CB-CG 4.05Å; M1-K178 HydrophobicContact SD-CD 4.4Å; M1-K178 HydrophobicContact SD-CG 4.25Å; I2-K178 CarbonylContact O-C 3.11Å; I2-K178 WeakPolarHBondContact O-CA 3.21Å; K178-G442 WeakPolarHBondContact CD-O 3.32Å; K178-G442 WeakPolarHBondContact CE-O 3.25Å; K178-G442 PolarHBondContact NZ-O 3.26Å; K178-T445 PolarHBondContact NZ-O 2.89Å; K178-W447 WeakPolarHBondContact CD-O 3.18Å; K178-W447 PolarHBondContact NZ-O 3.28Å; K178-A449 PolarHBondContact N-O 2.99Å |
| 179 | I | 96 | Very high | 97.3 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 164.9 | -173.9 | 72.3 | 171.6 | 0 | 0 | 0 | 112.3 | M1 I2 I4 A9 V142 Q143 Q146 N177 P181 | M1-I179 CarbonylContact C-O 3.58Å; M1-I179 WeakPolarHBondContact CA-O 2.98Å; M1-I179 VanDerWaalsContact CB-O 3.3Å; M1-I179 WeakPolarHBondContact CB-O 3Å; I2-I179 HydrophobicContact CG1-CG1 3.94Å; I2-I179 PolarHBondContact N-O 3.28Å; I2-I179 PolarHBondContact O-N 3Å; I4-I179 HydrophobicContact CG2-CD1 3.44Å; I4-I179 VanDerWaalsContact CG2-CD1 3.44Å; I4-I179 HydrophobicContact CG2-CG1 3.77Å; A9-I179 HydrophobicContact CB-CD1 3.84Å; V142-I179 HydrophobicContact CB-CG2 4.09Å; V142-I179 HydrophobicContact CG1-CD1 4.34Å; V142-I179 HydrophobicContact CG1-CG2 3.76Å; Q143-I179 HydrophobicContact CB-CB 4.48Å; Q143-I179 HydrophobicContact CB-CG2 4.11Å; Q146-I179 HydrophobicContact CB-CD1 4.35Å; N177-I179 HydrophobicContact CB-CG2 4.44Å; I179-P181 WeakPolarHBondContact O-CD 3.48Å |
| 180 | V | 96.5 | Very high | 97.3 | Very high | 62 Ų | 62 | 35.7 Ų | 35.7 | 38% | 0.376 | 20% | 0.201 | S | C | . | . | trans | -87.1 | 112.9 | 167.9 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | M1 Q143 Q146 | M1-V180 HydrophobicContact CG-CG2 4.11Å; Q143-V180 PolarHBondContact NE2-O 2.9Å; Q143-V180 VanDerWaalsContact NE2-O 3.14Å; Q146-V180 PolarHBondContact NE2-O 3.18Å | ||
| 181 | P | 96.8 | Very high | 97.4 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 157.9 | 178.2 | 31.6 | -35.8 | 0 | 0 | 0 | 111.8 | I2 I179 | I2-P181 HydrophobicContact CD1-CB 3.86Å; I2-P181 HydrophobicContact CG1-CB 4.03Å; I2-P181 HydrophobicContact CG1-CG 4.27Å; I2-P181 HydrophobicContact CG2-CG 4.18Å; I179-P181 WeakPolarHBondContact O-CD 3.48Å |
| 182 | L | 97.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -89 | 127.6 | 169.6 | -64.5 | 172.5 | 0 | 0 | 0 | 110.8 | V13 R16 Q146 L150 I187 F246 T250 | V13-L182 HydrophobicContact CG2-CD1 4.04Å; R16-L182 PolarHBondContact NH1-O 3.44Å; Q146-L182 HydrophobicContact CG-CD1 4.16Å; Q146-L182 HydrophobicContact CG-CG 4.4Å; L150-L182 HydrophobicContact CB-CD1 4.19Å; L150-L182 HydrophobicContact CD2-CD1 3.97Å; L182-I187 HydrophobicContact CB-CD1 4Å; L182-I187 HydrophobicContact CB-CG1 3.98Å; L182-I187 HydrophobicContact CD1-CG1 4.48Å; L182-F246 HydrophobicContact CD1-CE2 4.12Å; L182-F246 HydrophobicContact CD2-CE2 3.82Å; L182-F246 HydrophobicContact CD2-CZ 3.83Å; L182-T250 HydrophobicContact CD2-CG2 4.03Å |
| 183 | A | 97 | Very high | 97.2 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 45% | 0.446 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -74.9 | 151.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D185 T186 I187 | A183-D185 PolarHBondContact O-N 2.95Å; A183-T186 WeakPolarHBondContact O-CB 3.39Å; A183-T186 PolarHBondContact O-N 3.34Å; A183-I187 PolarHBondContact O-N 3.25Å |
| 184 | D | 97.5 | Very high | 97.2 | Very high | 82 Ų | 82 | 44.8 Ų | 44.8 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | -177.4 | -68 | -11.6 | 0 | 0 | 0 | 111.9 | R16 V47 T186 I187 L188 | R16-D184 WeakPolarHBondContact CD-OD1 3.49Å; R16-D184 IonicContact CZ-OD1 2.75Å; R16-D184 IonicContact NE-OD1 3.07Å; R16-D184 IonicContact NH1-OD1 3.88Å; R16-D184 PolarHBondContact NH1-OD1 3.16Å; V47-D184 HydrophobicContact CG1-CB 4.42Å; D184-T186 VanDerWaalsContact C-N 3.31Å; D184-T186 PolarHBondContact O-N 3.41Å; D184-I187 PolarHBondContact O-N 3.04Å; D184-I187 VanDerWaalsContact O-N 3.14Å; D184-L188 WeakPolarHBondContact O-CB 3.31Å; D184-L188 PolarHBondContact O-N 3.45Å |
| 185 | D | 97.3 | Very high | 97.3 | Very high | 121 Ų | 121 | 46.4 Ų | 46.4 | 65% | 0.647 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.7 | -42.8 | 175.4 | -62.7 | -18 | 0 | 0 | 0 | 111.4 | A183 I187 L188 D189 | A183-D185 PolarHBondContact O-N 2.95Å; D185-I187 PolarHBondContact O-N 2.94Å; D185-L188 PolarHBondContact O-N 3.19Å; D185-D189 WeakPolarHBondContact O-CB 3.32Å; D185-D189 VanDerWaalsContact O-CG 3.25Å; D185-D189 PolarHBondContact O-N 2.83Å |
| 186 | T | 97.5 | Very high | 97.3 | Very high | 36 Ų | 36 | 46 Ų | 46 | 22% | 0.221 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.7 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | A183 D184 L190 A249 T250 | A183-T186 WeakPolarHBondContact O-CB 3.39Å; A183-T186 PolarHBondContact O-N 3.34Å; D184-T186 VanDerWaalsContact C-N 3.31Å; D184-T186 PolarHBondContact O-N 3.41Å; T186-L190 HydrophobicContact CG2-CD1 4.1Å; T186-L190 WeakPolarHBondContact O-CB 2.94Å; T186-L190 VanDerWaalsContact O-CG 3.31Å; T186-L190 WeakPolarHBondContact O-CG 3.43Å; T186-L190 PolarHBondContact O-N 3.47Å; T186-A249 HydrophobicContact CG2-CB 4.14Å; T186-T250 HydrophobicContact CG2-CG2 4.09Å |
| 187 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -49.9 | 175.7 | -67.6 | 170.7 | 0 | 0 | 0 | 109.2 | T17 V47 L150 L182 A183 D184 D185 D189 L190 M191 | T17-I187 HydrophobicContact CG2-CG2 3.6Å; V47-I187 HydrophobicContact CG1-CB 3.99Å; V47-I187 HydrophobicContact CG1-CG2 3.65Å; V47-I187 HydrophobicContact CG2-CG2 4.41Å; L150-I187 HydrophobicContact CD1-CG2 4.13Å; L150-I187 HydrophobicContact CD2-CG1 4.19Å; L182-I187 HydrophobicContact CB-CD1 4Å; L182-I187 HydrophobicContact CB-CG1 3.98Å; L182-I187 HydrophobicContact CD1-CG1 4.48Å; A183-I187 PolarHBondContact O-N 3.25Å; D184-I187 PolarHBondContact O-N 3.04Å; D184-I187 VanDerWaalsContact O-N 3.14Å; D185-I187 PolarHBondContact O-N 2.94Å; I187-D189 PolarHBondContact O-N 2.7Å; I187-L190 PolarHBondContact O-N 3.05Å; I187-M191 HydrophobicContact CG2-CG 4.37Å; I187-M191 WeakPolarHBondContact O-CG 3.08Å; I187-M191 PolarHBondContact O-N 2.59Å; I187-M191 VanDerWaalsContact O-N 3.11Å |
| 188 | L | 97.4 | Very high | 97.4 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | -178.2 | -173.7 | 63.7 | 0 | 0 | 0 | 111.9 | V47 D184 D185 L190 M191 | V47-L188 HydrophobicContact CB-CB 4.35Å; V47-L188 HydrophobicContact CB-CD1 4.26Å; V47-L188 HydrophobicContact CG2-CD1 3.99Å; D184-L188 WeakPolarHBondContact O-CB 3.31Å; D184-L188 PolarHBondContact O-N 3.45Å; D185-L188 PolarHBondContact O-N 3.19Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 3.42Å; L188-M191 PolarHBondContact O-N 3.43Å |
| 189 | D | 97.2 | Very high | 97.5 | Very high | 139 Ų | 139 | 50.1 Ų | 50.1 | 74% | 0.743 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63 | -33 | 178.8 | -75.5 | -15.5 | 0 | 0 | 0 | 113 | D185 I187 | D185-D189 WeakPolarHBondContact O-CB 3.32Å; D185-D189 VanDerWaalsContact O-CG 3.25Å; D185-D189 PolarHBondContact O-N 2.83Å; I187-D189 PolarHBondContact O-N 2.7Å |
| 190 | L | 98 | Very high | 97.6 | Very high | 23 Ų | 23 | 54.5 Ų | 54.5 | 12% | 0.12 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -83.3 | -18 | 179.1 | -73.2 | 173.7 | 0 | 0 | 0 | 113.4 | L150 I154 T186 I187 L188 D245 F246 A249 | L150-L190 HydrophobicContact CD2-CB 4.37Å; L150-L190 HydrophobicContact CD2-CD1 3.71Å; I154-L190 HydrophobicContact CD1-CB 3.86Å; T186-L190 HydrophobicContact CG2-CD1 4.1Å; T186-L190 WeakPolarHBondContact O-CB 2.94Å; T186-L190 VanDerWaalsContact O-CG 3.31Å; T186-L190 WeakPolarHBondContact O-CG 3.43Å; T186-L190 PolarHBondContact O-N 3.47Å; I187-L190 PolarHBondContact O-N 3.05Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 3.42Å; L190-D245 HydrophobicContact CD2-CB 4.04Å; L190-F246 HydrophobicContact CD1-CD2 3.96Å; L190-A249 HydrophobicContact CD1-CB 4.09Å; L190-A249 HydrophobicContact CD2-CB 4.07Å; L190-A249 HydrophobicContact CG-CB 4.26Å |
| 191 | M | 97.8 | Very high | 97.7 | Very high | 11 Ų | 11 | 54.9 Ų | 54.9 | 5% | 0.054 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -70 | 125.3 | -179.5 | -75.2 | -58.1 | -63.2 | 0 | 0 | 111.2 | T17 W48 L150 Q153 L157 I187 L188 Q193 I196 | T17-M191 HydrophobicContact CG2-SD 3.99Å; W48-M191 HydrophobicContact CH2-CE 4.05Å; W48-M191 HydrophobicContact CZ2-CE 3.98Å; W48-M191 HydrophobicContact CZ2-CG 4.33Å; L150-M191 HydrophobicContact CD1-SD 4.1Å; Q153-M191 HydrophobicContact CG-CE 3.86Å; Q153-M191 HydrophobicContact CG-SD 3.96Å; L157-M191 HydrophobicContact CD1-CE 3.47Å; L157-M191 VanDerWaalsContact CD1-CE 3.47Å; I187-M191 HydrophobicContact CG2-CG 4.37Å; I187-M191 WeakPolarHBondContact O-CG 3.08Å; I187-M191 PolarHBondContact O-N 2.59Å; I187-M191 VanDerWaalsContact O-N 3.11Å; L188-M191 PolarHBondContact O-N 3.43Å; M191-Q193 PolarHBondContact O-N 2.69Å; M191-I196 HydrophobicContact CB-CD1 4.35Å; M191-I196 HydrophobicContact CE-CD1 3.88Å |
| 192 | P | 97.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.078 | 31% | 0.307 | C | S | . | . | trans | -79.3 | 87.5 | -173.7 | 32.2 | -35.9 | 0 | 0 | 0 | 111.6 | I154 L157 K158 V194 E195 I196 | I154-P192 HydrophobicContact CG2-CG 4.47Å; L157-P192 HydrophobicContact CB-CG 3.6Å; L157-P192 HydrophobicContact CD1-CG 3.76Å; L157-P192 HydrophobicContact CG-CG 4.33Å; K158-P192 HydrophobicContact CG-CB 4.33Å; K158-P192 HydrophobicContact CG-CG 4.45Å; P192-V194 VanDerWaalsContact C-N 3.31Å; P192-V194 PolarHBondContact O-N 2.76Å; P192-E195 HydrophobicContact CB-CB 4.23Å; P192-E195 WeakPolarHBondContact CB-OE2 3.44Å; P192-E195 HydrophobicContact CG-CB 4.37Å; P192-E195 PolarHBondContact O-N 2.81Å; P192-E195 VanDerWaalsContact O-N 3.12Å; P192-I196 WeakPolarHBondContact O-CG1 3.28Å; P192-I196 PolarHBondContact O-N 2.9Å; P192-I196 VanDerWaalsContact O-N 3.07Å | ||
| 193 | Q | 97.2 | Very high | 97.7 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.3 | -39.2 | -172.6 | -172.3 | 59.7 | 51.2 | 0 | 0 | 113.8 | M191 E195 I196 D197 | M191-Q193 PolarHBondContact O-N 2.69Å; Q193-E195 VanDerWaalsContact C-N 3.28Å; Q193-E195 PolarHBondContact O-N 3.42Å; Q193-I196 PolarHBondContact O-N 3.28Å; Q193-D197 PolarHBondContact NE2-OD1 3.24Å; Q193-D197 VanDerWaalsContact O-CG 3.27Å; Q193-D197 PolarHBondContact O-N 3.08Å |
| 194 | V | 98.1 | Very high | 97.7 | Very high | 110 Ų | 110 | 56.5 Ų | 56.5 | 67% | 0.667 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.7 | -40.9 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | P192 D197 A198 | P192-V194 VanDerWaalsContact C-N 3.31Å; P192-V194 PolarHBondContact O-N 2.76Å; V194-D197 PolarHBondContact O-N 2.7Å; V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 2.91Å |
| 195 | E | 98.3 | Very high | 97.8 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 30% | 0.304 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -74.9 | -32.2 | 179.3 | -71.5 | 81.4 | 173.6 | 0 | 0 | 112.9 | L157 P192 Q193 A198 H199 | L157-E195 HydrophobicContact CB-CB 4.2Å; P192-E195 HydrophobicContact CB-CB 4.23Å; P192-E195 WeakPolarHBondContact CB-OE2 3.44Å; P192-E195 HydrophobicContact CG-CB 4.37Å; P192-E195 PolarHBondContact O-N 2.81Å; P192-E195 VanDerWaalsContact O-N 3.12Å; Q193-E195 VanDerWaalsContact C-N 3.28Å; Q193-E195 PolarHBondContact O-N 3.42Å; E195-A198 PolarHBondContact O-N 3.01Å; E195-H199 PolarHBondContact O-N 3.37Å |
| 196 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 169.6 | -64.5 | 170.3 | 0 | 0 | 0 | 109.9 | W48 L76 L157 M191 P192 Q193 A198 H199 R200 | W48-I196 HydrophobicContact CZ2-CD1 3.9Å; L76-I196 HydrophobicContact CD1-CD1 4.26Å; L76-I196 HydrophobicContact CD1-CG1 4.3Å; L76-I196 HydrophobicContact CD1-CG2 4.29Å; L157-I196 HydrophobicContact CD1-CD1 4.37Å; L157-I196 HydrophobicContact CD1-CG1 3.85Å; L157-I196 HydrophobicContact CD2-CG1 4.18Å; M191-I196 HydrophobicContact CB-CD1 4.35Å; M191-I196 HydrophobicContact CE-CD1 3.88Å; P192-I196 WeakPolarHBondContact O-CG1 3.28Å; P192-I196 PolarHBondContact O-N 2.9Å; P192-I196 VanDerWaalsContact O-N 3.07Å; Q193-I196 PolarHBondContact O-N 3.28Å; I196-A198 VanDerWaalsContact C-N 3.28Å; I196-A198 PolarHBondContact O-N 3.1Å; I196-H199 WeakPolarHBondContact O-CB 3.49Å; I196-H199 PolarHBondContact O-N 3.23Å; I196-H199 VanDerWaalsContact O-N 3.15Å; I196-R200 WeakPolarHBondContact O-CG 3.39Å; I196-R200 PolarHBondContact O-N 3.05Å |
| 197 | D | 98.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 61.2 Ų | 61.2 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 177.7 | -65.5 | -20.7 | 0 | 0 | 0 | 110.9 | Q193 V194 H199 R200 A201 | Q193-D197 PolarHBondContact NE2-OD1 3.24Å; Q193-D197 VanDerWaalsContact O-CG 3.27Å; Q193-D197 PolarHBondContact O-N 3.08Å; V194-D197 PolarHBondContact O-N 2.7Å; D197-H199 PolarHBondContact O-N 3.25Å; D197-R200 PolarHBondContact O-N 3.45Å; D197-A201 WeakPolarHBondContact O-CB 3.4Å; D197-A201 PolarHBondContact O-N 3.5Å |
| 198 | A | 98.1 | Very high | 97.7 | Very high | 35 Ų | 35 | 65.4 Ų | 65.4 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | V194 E195 I196 R202 | V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 2.91Å; E195-A198 PolarHBondContact O-N 3.01Å; I196-A198 VanDerWaalsContact C-N 3.28Å; I196-A198 PolarHBondContact O-N 3.1Å; A198-R202 VanDerWaalsContact C-NH1 3.28Å; A198-R202 WeakPolarHBondContact O-CG 3.24Å; A198-R202 PolarHBondContact O-N 2.86Å; A198-R202 PolarHBondContact O-NH1 2.83Å |
| 199 | H | 97.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 66.7 Ų | 66.7 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.1 | -49 | 172 | 175.2 | 65.9 | 0 | 0 | 0 | 111.1 | L71 G74 A75 P102 E195 I196 D197 A201 R202 A203 | L71-H199 PolarHBondContact O-CE1 3.39Å; G74-H199 PolarHBondContact O-CD2 2.61Å; A75-H199 PolarHBondContact O-NE2 3.42Å; P102-H199 HydrophobicContact CG-CB 4.33Å; P102-H199 WeakPolarHBondContact CG-ND1 3.39Å; E195-H199 PolarHBondContact O-N 3.37Å; I196-H199 WeakPolarHBondContact O-CB 3.49Å; I196-H199 PolarHBondContact O-N 3.23Å; I196-H199 VanDerWaalsContact O-N 3.15Å; D197-H199 PolarHBondContact O-N 3.25Å; H199-A201 VanDerWaalsContact C-N 3.34Å; H199-A201 PolarHBondContact O-N 3.45Å; H199-R202 VanDerWaalsContact CA-NH2 3.32Å; H199-R202 PolarHBondContact O-N 2.71Å; H199-R202 VanDerWaalsContact O-N 3.09Å; H199-A203 PolarHBondContact O-N 2.9Å |
| 200 | R | 97.8 | Very high | 97.7 | Very high | 94 Ų | 94 | 64 Ų | 64 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176.9 | -69.4 | 171.4 | 172.5 | 171.2 | -5.3 | 112.2 | E19 I196 D197 R202 A203 | E19-R200 IonicContact OE1-CZ 3.72Å; E19-R200 IonicContact OE1-NH2 2.76Å; E19-R200 PolarHBondContact OE1-NH2 3.24Å; I196-R200 WeakPolarHBondContact O-CG 3.39Å; I196-R200 PolarHBondContact O-N 3.05Å; D197-R200 PolarHBondContact O-N 3.45Å; R200-R202 PolarHBondContact O-N 2.91Å; R200-A203 WeakPolarHBondContact O-CB 3.49Å; R200-A203 PolarHBondContact O-N 2.83Å |
| 201 | A | 97.4 | Very high | 97.7 | Very high | 70 Ų | 70 | 69.8 Ų | 69.8 | 58% | 0.579 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.7 | -21.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D197 H199 | D197-A201 WeakPolarHBondContact O-CB 3.4Å; D197-A201 PolarHBondContact O-N 3.5Å; H199-A201 VanDerWaalsContact C-N 3.34Å; H199-A201 PolarHBondContact O-N 3.45Å |
| 202 | R | 97.2 | Very high | 97.6 | Very high | 67 Ų | 67 | 73.4 Ų | 73.4 | 25% | 0.253 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 0.6 | 175.1 | -68.6 | -176.8 | -60.6 | -89.8 | 2.6 | 113 | A198 H199 R200 R212 | A198-R202 VanDerWaalsContact C-NH1 3.28Å; A198-R202 WeakPolarHBondContact O-CG 3.24Å; A198-R202 PolarHBondContact O-N 2.86Å; A198-R202 PolarHBondContact O-NH1 2.83Å; H199-R202 VanDerWaalsContact CA-NH2 3.32Å; H199-R202 PolarHBondContact O-N 2.71Å; H199-R202 VanDerWaalsContact O-N 3.09Å; R200-R202 PolarHBondContact O-N 2.91Å; R202-R212 PolarHBondContact O-NH1 3.01Å; R202-R212 PolarHBondContact O-NH2 3.38Å |
| 203 | A | 97.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 75.2 Ų | 75.2 | 8% | 0.083 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -63.6 | 150.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q72 H199 R200 N205 | Q72-A203 CarbonylContact O-C 3.6Å; Q72-A203 WeakPolarHBondContact O-CA 3.37Å; H199-A203 PolarHBondContact O-N 2.9Å; R200-A203 WeakPolarHBondContact O-CB 3.49Å; R200-A203 PolarHBondContact O-N 2.83Å; A203-N205 PolarHBondContact O-N 2.98Å |
| 204 | L | 98.2 | Very high | 97.4 | Very high | 71 Ų | 71 | 76 Ų | 76 | 37% | 0.372 | 43% | 0.425 | S | S | . | . | trans | -64.3 | 115.5 | 165 | -65.4 | 179.2 | 0 | 0 | 0 | 108.7 | Q72 V210 | Q72-L204 HydrophobicContact CB-CD1 4.01Å; Q72-L204 HydrophobicContact CB-CG 4.41Å; Q72-L204 PolarHBondContact O-N 2.97Å; L204-V210 HydrophobicContact CD2-CG2 3.67Å | ||
| 205 | N | 97.8 | Very high | 97.4 | Very high | 59 Ų | 59 | 76.6 Ų | 76.6 | 32% | 0.316 | 43% | 0.434 | S | S | . | . | trans | -144.6 | 130.2 | 179.5 | -172.3 | -33.9 | 0 | 0 | 0 | 108.9 | A203 E207 H208 P209 | A203-N205 PolarHBondContact O-N 2.98Å; N205-E207 PolarHBondContact O-N 3.06Å; N205-E207 WeakPolarHBondContact OD1-CB 3.27Å; N205-E207 WeakPolarHBondContact OD1-CG 3.4Å; N205-E207 PolarHBondContact OD1-N 3.14Å; N205-H208 WeakPolarHBondContact CB-CE1 3.31Å; N205-H208 CarbonylContact O-C 3.52Å; N205-H208 PolarHBondContact O-N 3.27Å; N205-P209 VanDerWaalsContact O-CA 3.26Å; N205-P209 WeakPolarHBondContact O-CA 3.39Å; N205-P209 VanDerWaalsContact O-N 3.11Å | ||
| 206 | P | 98.1 | Very high | 97.2 | Very high | 113 Ų | 113 | 75.8 Ų | 75.8 | 73% | 0.734 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.3 | 178 | 25.1 | -35.3 | 0 | 0 | 0 | 114.2 | H208 P209 | P206-H208 VanDerWaalsContact C-N 3.32Å; P206-P209 WeakPolarHBondContact O-CD 3.5Å |
| 207 | E | 97.9 | Very high | 97.2 | Very high | 166 Ų | 166 | 81.1 Ų | 81.1 | 78% | 0.776 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -20.7 | 176 | -57.9 | -56.8 | 150.2 | 0 | 0 | 113 | N205 | N205-E207 PolarHBondContact O-N 3.06Å; N205-E207 WeakPolarHBondContact OD1-CB 3.27Å; N205-E207 WeakPolarHBondContact OD1-CG 3.4Å; N205-E207 PolarHBondContact OD1-N 3.14Å |
| 208 | H | 96.5 | Very high | 97.2 | Very high | 88 Ų | 88 | 83 Ų | 83 | 41% | 0.407 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -146.7 | 67 | 174.4 | 50.4 | 73.7 | 0 | 0 | 0 | 110.3 | N205 P206 | N205-H208 WeakPolarHBondContact CB-CE1 3.31Å; N205-H208 CarbonylContact O-C 3.52Å; N205-H208 PolarHBondContact O-N 3.27Å; P206-H208 VanDerWaalsContact C-N 3.32Å |
| 209 | P | 97.5 | Very high | 97.1 | Very high | 99 Ų | 99 | 86.1 Ų | 86.1 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | trans | -72.2 | 144.2 | -165.3 | 29.9 | -34.7 | 0 | 0 | 0 | 111.8 | N205 P206 | N205-P209 VanDerWaalsContact O-CA 3.26Å; N205-P209 WeakPolarHBondContact O-CA 3.39Å; N205-P209 VanDerWaalsContact O-N 3.11Å; P206-P209 WeakPolarHBondContact O-CD 3.5Å | ||
| 210 | V | 96.9 | Very high | 97.1 | Very high | 83 Ų | 83 | 88.9 Ų | 88.9 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | trans | -135.6 | 161.9 | 171.8 | -60.3 | 0 | 0 | 0 | 0 | 109.6 | L204 | L204-V210 HydrophobicContact CD2-CG2 3.67Š| ||
| 211 | I | 96.8 | Very high | 97.1 | Very high | 144 Ų | 144 | 91.1 Ų | 91.1 | 74% | 0.738 | 52% | 0.522 | S | S | * | . | trans | -107.7 | 141.3 | 174.6 | -165.8 | 165.8 | 0 | 0 | 0 | 110.4 | T214 | I211-T214 HydrophobicContact CD1-CG2 4.31Å; I211-T214 HydrophobicContact CG1-CG2 4.12Å; I211-T214 HydrophobicContact CG2-CG2 4.23Å | ||
| 212 | R | 95.5 | Very high | 97.1 | Very high | 87 Ų | 87 | 94.5 Ų | 94.5 | 33% | 0.328 | 52% | 0.524 | S | S | . | . | trans | -141.3 | 160.2 | 178.1 | -72 | -176.9 | 176.5 | 157.4 | 7.5 | 110.7 | R202 T214 | R202-R212 PolarHBondContact O-NH1 3.01Å; R202-R212 PolarHBondContact O-NH2 3.38Å; R212-T214 VanDerWaalsContact C-N 3.35Å | ||
| 213 | G | 95 | Very high | 97.2 | Very high | 50 Ų | 50 | 96.8 Ų | 96.8 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | S | Bend | trans | 66 | 36.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 214 | T | 96.9 | Very high | 97.2 | Very high | 98 Ų | 98 | 100 Ų | 100 | 60% | 0.601 | 56% | 0.559 | S | S | * | * | trans | -65.2 | 162.2 | 177.9 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | I211 R212 | I211-T214 HydrophobicContact CD1-CG2 4.31Å; I211-T214 HydrophobicContact CG1-CG2 4.12Å; I211-T214 HydrophobicContact CG2-CG2 4.23Å; R212-T214 VanDerWaalsContact C-N 3.35Å | ||
| 215 | S | 96.8 | Very high | 97.1 | Very high | 121 Ų | 121 | 100.8 Ų | 100.8 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | trans | -84.1 | 143 | 161.9 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 216 | A | 94.7 | Very high | 97.2 | Very high | 48 Ų | 48 | 102.2 Ų | 102.2 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | trans | -134.2 | 143.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y221 | A216-Y221 HydrophobicContact CB-CD2 4.23Š| ||
| 217 | N | 97.8 | Very high | 97.2 | Very high | 112 Ų | 112 | 99.7 Ų | 99.7 | 60% | 0.599 | 55% | 0.55 | S | S | * | * | trans | -84.8 | 169.4 | 174.5 | -75.1 | -25.4 | 0 | 0 | 0 | 110.6 | D219 T220 Y221 | N217-D219 WeakPolarHBondContact CB-OD1 3.49Å; N217-D219 PolarHBondContact O-N 2.93Å; N217-D219 VanDerWaalsContact O-N 3.1Å; N217-T220 PolarHBondContact O-N 3.21Å; N217-Y221 WeakPolarHBondContact O-CB 3.41Å; N217-Y221 PolarHBondContact O-N 3.34Å | ||
| 218 | P | 98.4 | Very high | 97.2 | Very high | 119 Ų | 119 | 92.4 Ų | 92.4 | 77% | 0.773 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.5 | -22.7 | 178.8 | -27.1 | 36.2 | 0 | 0 | 0 | 115.1 | T220 | P218-T220 PolarHBondContact O-N 3.18Å |
| 219 | D | 97.1 | Very high | 97.3 | Very high | 101 Ų | 101 | 91.1 Ų | 91.1 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -20.3 | -179.4 | 58.3 | 3.4 | 0 | 0 | 0 | 114.3 | N217 Q223 | N217-D219 WeakPolarHBondContact CB-OD1 3.49Å; N217-D219 PolarHBondContact O-N 2.93Å; N217-D219 VanDerWaalsContact O-N 3.1Å; D219-Q223 PolarHBondContact O-NE2 2.83Å; D219-Q223 PolarHBondContact O-OE1 2.86Å |
| 220 | T | 97 | Very high | 97.3 | Very high | 67 Ų | 67 | 90.3 Ų | 90.3 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -135.4 | -21.8 | -172.6 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | N217 P218 F222 S224 | N217-T220 PolarHBondContact O-N 3.21Å; P218-T220 PolarHBondContact O-N 3.18Å; T220-F222 PolarHBondContact O-N 3.29Å; T220-S224 WeakPolarHBondContact O-CB 3.42Å; T220-S224 PolarHBondContact O-N 2.95Å; T220-S224 PolarHBondContact O-OG 2.86Å |
| 221 | Y | 98.1 | Very high | 97.4 | Very high | 141 Ų | 141 | 91 Ų | 91 | 55% | 0.553 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.4 | -47.4 | -178.2 | -176.4 | -88.9 | 0 | 0 | 0 | 112 | A216 N217 S224 R225 | A216-Y221 HydrophobicContact CB-CD2 4.23Å; N217-Y221 WeakPolarHBondContact O-CB 3.41Å; N217-Y221 PolarHBondContact O-N 3.34Å; Y221-S224 PolarHBondContact O-N 2.99Å; Y221-R225 WeakPolarHBondContact O-CB 3.31Å; Y221-R225 PolarHBondContact O-N 2.83Å |
| 222 | F | 98.2 | Very high | 97.5 | Very high | 140 Ų | 140 | 85.9 Ų | 85.9 | 61% | 0.614 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.8 | -48.1 | -174.4 | -169.1 | -174.5 | 0 | 0 | 0 | 111.3 | T220 S224 R225 E226 | T220-F222 PolarHBondContact O-N 3.29Å; F222-S224 VanDerWaalsContact C-N 3.28Å; F222-S224 PolarHBondContact O-N 2.9Å; F222-R225 PolarHBondContact O-N 2.8Å; F222-R225 VanDerWaalsContact O-N 3.1Å; F222-E226 HydrophobicContact CD2-CG 3.87Å; F222-E226 HydrophobicContact CE2-CG 3.67Å; F222-E226 PolarHBondContact O-N 2.87Å; F222-E226 VanDerWaalsContact O-N 3.08Å |
| 223 | Q | 98.2 | Very high | 97.6 | Very high | 116 Ų | 116 | 87.9 Ų | 87.9 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 176.7 | -57.6 | 93.3 | -45.2 | 0 | 0 | 111.4 | D219 R225 E226 A227 | D219-Q223 PolarHBondContact O-NE2 2.83Å; D219-Q223 PolarHBondContact O-OE1 2.86Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 PolarHBondContact O-N 2.83Å; Q223-E226 PolarHBondContact O-N 3.04Å; Q223-A227 PolarHBondContact O-N 3.19Å |
| 224 | S | 97.3 | Very high | 97.7 | Very high | 76 Ų | 76 | 86.9 Ų | 86.9 | 53% | 0.531 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 177.6 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | T220 Y221 F222 A227 | T220-S224 WeakPolarHBondContact O-CB 3.42Å; T220-S224 PolarHBondContact O-N 2.95Å; T220-S224 PolarHBondContact O-OG 2.86Å; Y221-S224 PolarHBondContact O-N 2.99Å; F222-S224 VanDerWaalsContact C-N 3.28Å; F222-S224 PolarHBondContact O-N 2.9Å; S224-A227 WeakPolarHBondContact O-CB 3.45Å; S224-A227 PolarHBondContact O-N 3.22Å |
| 225 | R | 97.7 | Very high | 97.8 | Very high | 89 Ų | 89 | 82.2 Ų | 82.2 | 34% | 0.336 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 178.4 | -173.1 | 65 | -173.6 | 91.7 | -6 | 112.4 | Y221 F222 Q223 A227 T228 | Y221-R225 WeakPolarHBondContact O-CB 3.31Å; Y221-R225 PolarHBondContact O-N 2.83Å; F222-R225 PolarHBondContact O-N 2.8Å; F222-R225 VanDerWaalsContact O-N 3.1Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 PolarHBondContact O-N 2.83Å; R225-A227 VanDerWaalsContact C-N 3.34Å; R225-T228 PolarHBondContact NH1-OG1 3.38Å; R225-T228 PolarHBondContact O-OG1 2.8Å; R225-T228 VanDerWaalsContact O-OG1 3.08Å |
| 226 | E | 98.4 | Very high | 97.9 | Very high | 89 Ų | 89 | 77.3 Ų | 77.3 | 42% | 0.416 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -76 | -21.9 | 176.4 | -67.7 | -60.8 | 134 | 0 | 0 | 112.7 | F222 Q223 T228 N229 | F222-E226 HydrophobicContact CD2-CG 3.87Å; F222-E226 HydrophobicContact CE2-CG 3.67Å; F222-E226 PolarHBondContact O-N 2.87Å; F222-E226 VanDerWaalsContact O-N 3.08Å; Q223-E226 PolarHBondContact O-N 3.04Å; E226-T228 PolarHBondContact O-N 2.8Å; E226-N229 WeakPolarHBondContact O-CB 3.38Å; E226-N229 PolarHBondContact O-N 2.86Å; E226-N229 PolarHBondContact O-ND2 2.82Å; E226-N229 PolarHBondContact O-OD1 2.95Å; E226-N229 PolarHBondContact OE2-ND2 3.5Å |
| 227 | A | 98.2 | Very high | 98.1 | Very high | 59 Ų | 59 | 79.3 Ų | 79.3 | 49% | 0.488 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q223 S224 R225 N229 P230 W231 | Q223-A227 PolarHBondContact O-N 3.19Å; S224-A227 WeakPolarHBondContact O-CB 3.45Å; S224-A227 PolarHBondContact O-N 3.22Å; R225-A227 VanDerWaalsContact C-N 3.34Å; A227-N229 VanDerWaalsContact C-N 3.32Å; A227-N229 PolarHBondContact O-N 3.32Å; A227-P230 WeakPolarHBondContact O-CD 3.38Å; A227-W231 VanDerWaalsContact O-CZ3 3.31Å; A227-W231 WeakPolarHBondContact O-CZ3 3.38Å |
| 228 | T | 97.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 76.7 Ų | 76.7 | 8% | 0.08 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.5 | 177.4 | 58 | 0 | 0 | 0 | 0 | 114.3 | L100 R225 E226 P230 W231 Y232 | L100-T228 HydrophobicContact CD1-CG2 4.13Å; L100-T228 HydrophobicContact CD2-CG2 4.21Å; L100-T228 HydrophobicContact CG-CG2 4.1Å; R225-T228 PolarHBondContact NH1-OG1 3.38Å; R225-T228 PolarHBondContact O-OG1 2.8Å; R225-T228 VanDerWaalsContact O-OG1 3.08Å; E226-T228 PolarHBondContact O-N 2.8Å; T228-P230 VanDerWaalsContact C-CD 3.42Å; T228-W231 WeakPolarHBondContact O-CB 3.37Å; T228-W231 PolarHBondContact O-N 2.94Å; T228-Y232 WeakPolarHBondContact O-CD2 3.38Å; T228-Y232 PolarHBondContact O-N 3.01Å |
| 229 | N | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 71 Ų | 71 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -53.4 | -39.9 | -172.2 | -66.7 | -5.6 | 0 | 0 | 0 | 115 | E226 A227 W231 Y232 N233 | E226-N229 WeakPolarHBondContact O-CB 3.38Å; E226-N229 PolarHBondContact O-N 2.86Å; E226-N229 PolarHBondContact O-ND2 2.82Å; E226-N229 PolarHBondContact O-OD1 2.95Å; E226-N229 PolarHBondContact OE2-ND2 3.5Å; A227-N229 VanDerWaalsContact C-N 3.32Å; A227-N229 PolarHBondContact O-N 3.32Å; N229-W231 VanDerWaalsContact C-N 3.25Å; N229-W231 PolarHBondContact O-N 3.32Å; N229-Y232 PolarHBondContact O-N 3.2Å; N229-Y232 VanDerWaalsContact O-N 3.16Å; N229-N233 VanDerWaalsContact O-CG 3.26Å; N229-N233 PolarHBondContact O-N 3.41Å; N229-N233 PolarHBondContact O-ND2 3.33Å |
| 230 | P | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 69.1 Ų | 69.1 | 53% | 0.532 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.8 | -35.9 | 177.5 | -26.4 | 36.4 | 0 | 0 | 0 | 113.8 | A227 T228 A234 | A227-P230 WeakPolarHBondContact O-CD 3.38Å; T228-P230 VanDerWaalsContact C-CD 3.42Å; P230-A234 PolarHBondContact O-N 3.05Å |
| 231 | W | 98.5 | Very high | 98.3 | Very high | 97 Ų | 97 | 70.1 Ų | 70.1 | 37% | 0.367 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 177.1 | -72.6 | -92.1 | 0 | 0 | 0 | 111.2 | L100 S159 V161 A227 T228 N229 A234 V235 | L100-W231 HydrophobicContact CD1-CB 4.41Å; L100-W231 HydrophobicContact CD1-CD2 3.45Å; L100-W231 VanDerWaalsContact CD1-CD2 3.45Å; L100-W231 HydrophobicContact CD1-CE3 3.74Å; L100-W231 HydrophobicContact CD1-CG 3.75Å; L100-W231 HydrophobicContact CD1-CH2 4.5Å; L100-W231 HydrophobicContact CD1-CZ2 4.27Å; L100-W231 HydrophobicContact CD1-CZ3 4.26Å; L100-W231 HydrophobicContact CD2-CB 3.87Å; L100-W231 HydrophobicContact CD2-CG 4.04Å; S159-W231 VanDerWaalsContact O-CD1 3.31Å; V161-W231 HydrophobicContact CG2-CB 4.2Å; A227-W231 VanDerWaalsContact O-CZ3 3.31Å; A227-W231 WeakPolarHBondContact O-CZ3 3.38Å; T228-W231 WeakPolarHBondContact O-CB 3.37Å; T228-W231 PolarHBondContact O-N 2.94Å; N229-W231 VanDerWaalsContact C-N 3.25Å; N229-W231 PolarHBondContact O-N 3.32Å; W231-A234 PolarHBondContact O-N 3.03Å; W231-V235 WeakPolarHBondContact O-CG2 3.36Å; W231-V235 PolarHBondContact O-N 3.14Å |
| 232 | Y | 98.5 | Very high | 98.3 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -40.7 | 177.7 | -79.3 | -84 | 0 | 0 | 0 | 113 | L100 G133 V161 T228 N229 A234 V235 P303 | L100-Y232 HydrophobicContact CD2-CE2 4.43Å; G133-Y232 WeakPolarHBondContact CA-OH 3.15Å; G133-Y232 WeakPolarHBondContact O-CE1 3.14Å; G133-Y232 VanDerWaalsContact O-CZ 3.26Å; G133-Y232 PolarHBondContact O-OH 2.76Å; V161-Y232 HydrophobicContact CG1-CD1 4.36Å; V161-Y232 HydrophobicContact CG1-CE1 3.79Å; V161-Y232 HydrophobicContact CG2-CD1 4.47Å; V161-Y232 HydrophobicContact CG2-CE1 4.42Å; T228-Y232 WeakPolarHBondContact O-CD2 3.38Å; T228-Y232 PolarHBondContact O-N 3.01Å; N229-Y232 PolarHBondContact O-N 3.2Å; N229-Y232 VanDerWaalsContact O-N 3.16Å; Y232-A234 PolarHBondContact O-N 3.3Å; Y232-V235 PolarHBondContact O-N 3.37Å; Y232-P303 HydrophobicContact CD1-CG 4.15Å |
| 233 | N | 98 | Very high | 98.3 | Very high | 129 Ų | 129 | 56.7 Ų | 56.7 | 69% | 0.69 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.5 | -29.8 | 178 | -70.3 | -15.1 | 0 | 0 | 0 | 112.4 | N229 | N229-N233 VanDerWaalsContact O-CG 3.26Å; N229-N233 PolarHBondContact O-N 3.41Å; N229-N233 PolarHBondContact O-ND2 3.33Å |
| 234 | A | 97.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 53.6 Ų | 53.6 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -86.6 | -10.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P230 W231 Y232 Y236 D237 H238 | P230-A234 PolarHBondContact O-N 3.05Å; W231-A234 PolarHBondContact O-N 3.03Å; Y232-A234 PolarHBondContact O-N 3.3Å; A234-Y236 VanDerWaalsContact C-N 3.32Å; A234-Y236 PolarHBondContact O-N 3.16Å; A234-D237 PolarHBondContact O-N 3.31Å; A234-H238 PolarHBondContact O-CD2 3.1Å; A234-H238 PolarHBondContact O-N 2.95Å; A234-H238 VanDerWaalsContact O-N 3.11Å |
| 235 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | -174.2 | 177.2 | 0 | 0 | 0 | 0 | 112 | A135 V161 F163 W231 Y232 D237 H238 V239 P303 | A135-V235 HydrophobicContact CB-CG1 4.19Å; V161-V235 HydrophobicContact CB-CG2 3.87Å; V161-V235 HydrophobicContact CG1-CG2 4.23Å; V161-V235 HydrophobicContact CG2-CG2 3.6Å; F163-V235 HydrophobicContact CE2-CG1 4.26Å; F163-V235 HydrophobicContact CZ-CG1 3.74Å; W231-V235 WeakPolarHBondContact O-CG2 3.36Å; W231-V235 PolarHBondContact O-N 3.14Å; Y232-V235 PolarHBondContact O-N 3.37Å; V235-D237 VanDerWaalsContact C-N 3.34Å; V235-D237 PolarHBondContact O-N 3.35Å; V235-H238 PolarHBondContact O-N 3.26Å; V235-V239 HydrophobicContact CG1-CG2 4.06Å; V235-V239 WeakPolarHBondContact O-CG2 3.22Å; V235-V239 PolarHBondContact O-N 2.92Å; V235-P303 HydrophobicContact CB-CG 3.88Å; V235-P303 HydrophobicContact CG1-CG 4.18Å; V235-P303 HydrophobicContact CG2-CG 4.1Å |
| 236 | Y | 98.6 | Very high | 98.4 | Very high | 18 Ų | 18 | 48 Ų | 48 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.9 | -51.2 | -179.6 | -177.1 | -79.6 | 0 | 0 | 0 | 110.9 | A234 H238 V239 E240 P256 F257 L300 H308 | A234-Y236 VanDerWaalsContact C-N 3.32Å; A234-Y236 PolarHBondContact O-N 3.16Å; Y236-H238 VanDerWaalsContact C-N 3.29Å; Y236-H238 PolarHBondContact O-N 3.26Å; Y236-V239 PolarHBondContact O-N 3.02Å; Y236-V239 VanDerWaalsContact O-N 3.13Å; Y236-E240 HydrophobicContact CE1-CB 4.2Å; Y236-E240 PolarHBondContact O-N 3.3Å; Y236-P256 HydrophobicContact CD2-CB 4.09Å; Y236-P256 HydrophobicContact CD2-CG 4.32Å; Y236-P256 HydrophobicContact CE1-CG 4.26Å; Y236-P256 HydrophobicContact CE2-CB 3.44Å; Y236-P256 VanDerWaalsContact CE2-CB 3.44Å; Y236-P256 HydrophobicContact CE2-CG 3.74Å; Y236-F257 AromaticContact CE2-CD2 3.93Å; Y236-F257 HydrophobicContact CE2-CD2 3.93Å; Y236-F257 HydrophobicContact CE2-CE2 4.1Å; Y236-L300 HydrophobicContact CD2-CD2 4.17Å; Y236-H308 AromaticContact CD1-CE1 3.29Å; Y236-H308 WeakPolarHBondContact CD1-CE1 3.45Å; Y236-H308 AromaticContact CD1-CG 3.95Å; Y236-H308 AromaticContact CD1-ND1 3.47Å; Y236-H308 WeakPolarHBondContact CD1-ND1 3.32Å; Y236-H308 AromaticContact CD1-NE2 3.76Å; Y236-H308 HydrophobicContact CD2-CB 4.21Å; Y236-H308 AromaticContact CD2-CG 3.97Å; Y236-H308 AromaticContact CD2-ND1 3.51Å; Y236-H308 HydrophobicContact CE1-CB 4.18Å; Y236-H308 AromaticContact CE1-CD2 3.42Å; Y236-H308 VanDerWaalsContact CE1-CD2 3.42Å; Y236-H308 WeakPolarHBondContact CE1-CD2 3.4Å; Y236-H308 AromaticContact CE1-CE1 3.48Å; Y236-H308 VanDerWaalsContact CE1-CE1 3.48Å; Y236-H308 WeakPolarHBondContact CE1-CE1 3.48Å; Y236-H308 AromaticContact CE1-CG 3.45Å; Y236-H308 VanDerWaalsContact CE1-CG 3.45Å; Y236-H308 AromaticContact CE1-ND1 3.49Å; Y236-H308 WeakPolarHBondContact CE1-ND1 3.44Å; Y236-H308 AromaticContact CE1-NE2 3.53Å; Y236-H308 HydrophobicContact CE2-CB 3.35Å; Y236-H308 AromaticContact CE2-CG 3.42Å; Y236-H308 VanDerWaalsContact CE2-CG 3.42Å; Y236-H308 AromaticContact CE2-ND1 3.48Å; Y236-H308 WeakPolarHBondContact CE2-ND1 3.18Å; Y236-H308 AromaticContact CG-CE1 3.7Å; Y236-H308 AromaticContact CG-ND1 3.51Å; Y236-H308 AromaticContact CZ-CD2 3.52Å; Y236-H308 AromaticContact CZ-CE1 3.99Å; Y236-H308 AromaticContact CZ-CG 3.17Å; Y236-H308 AromaticContact CZ-ND1 3.51Å; Y236-H308 WeakPolarHBondContact OH-CB 3.37Å |
| 237 | D | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.6 | -37.4 | -178.2 | -58.3 | -15.7 | 0 | 0 | 0 | 111 | A234 V235 Q241 | A234-D237 PolarHBondContact O-N 3.31Å; V235-D237 VanDerWaalsContact C-N 3.34Å; V235-D237 PolarHBondContact O-N 3.35Å; D237-Q241 VanDerWaalsContact O-CB 3.27Å; D237-Q241 WeakPolarHBondContact O-CB 3.37Å; D237-Q241 PolarHBondContact O-N 3.11Å |
| 238 | H | 98.5 | Very high | 98.4 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 26% | 0.264 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 174.5 | -70.8 | -51.5 | 0 | 0 | 0 | 113.2 | K158 A234 V235 Y236 A242 | K158-H238 HydrophobicContact CB-CB 4.34Å; A234-H238 PolarHBondContact O-CD2 3.1Å; A234-H238 PolarHBondContact O-N 2.95Å; A234-H238 VanDerWaalsContact O-N 3.11Å; V235-H238 PolarHBondContact O-N 3.26Å; Y236-H238 VanDerWaalsContact C-N 3.29Å; Y236-H238 PolarHBondContact O-N 3.26Å; H238-A242 VanDerWaalsContact O-CB 3.32Å; H238-A242 WeakPolarHBondContact O-CB 3.33Å; H238-A242 PolarHBondContact O-N 3.25Å |
| 239 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70 | -45.1 | 176.1 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | L137 A155 F163 V235 Y236 Q241 A242 M243 P256 L300 | L137-V239 HydrophobicContact CD1-CG1 4.44Å; A155-V239 HydrophobicContact CB-CG2 3.78Å; F163-V239 HydrophobicContact CE1-CG2 3.75Å; F163-V239 HydrophobicContact CZ-CG2 3.53Å; V235-V239 HydrophobicContact CG1-CG2 4.06Å; V235-V239 WeakPolarHBondContact O-CG2 3.22Å; V235-V239 PolarHBondContact O-N 2.92Å; Y236-V239 PolarHBondContact O-N 3.02Å; Y236-V239 VanDerWaalsContact O-N 3.13Å; V239-Q241 PolarHBondContact O-N 3.17Å; V239-A242 PolarHBondContact O-N 3.4Å; V239-M243 HydrophobicContact CG1-CE 3.98Å; V239-M243 HydrophobicContact CG1-SD 4.31Å; V239-M243 WeakPolarHBondContact O-CG 3.12Å; V239-M243 PolarHBondContact O-N 2.84Å; V239-P256 HydrophobicContact CG1-CG 4.14Å; V239-L300 HydrophobicContact CB-CD2 4.18Å; V239-L300 HydrophobicContact CG1-CD2 4.37Å; V239-L300 HydrophobicContact CG2-CD1 4.04Å; V239-L300 HydrophobicContact CG2-CD2 4.04Å |
| 240 | E | 98.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 47 Ų | 47 | 29% | 0.285 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 176.3 | -175.8 | -179.2 | -107.6 | 0 | 0 | 110.9 | Y236 A242 M243 N244 P256 | Y236-E240 HydrophobicContact CE1-CB 4.2Å; Y236-E240 PolarHBondContact O-N 3.3Å; E240-A242 PolarHBondContact O-N 3.34Å; E240-M243 PolarHBondContact O-N 2.83Å; E240-N244 VanDerWaalsContact O-CG 3.24Å; E240-N244 PolarHBondContact O-N 2.92Å; E240-N244 PolarHBondContact O-ND2 3.08Å; E240-P256 HydrophobicContact CB-CG 4.3Å |
| 241 | Q | 98.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 41% | 0.411 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.5 | -172.2 | 62.4 | 56 | 0 | 0 | 111.5 | D237 V239 M243 N244 D245 | D237-Q241 VanDerWaalsContact O-CB 3.27Å; D237-Q241 WeakPolarHBondContact O-CB 3.37Å; D237-Q241 PolarHBondContact O-N 3.11Å; V239-Q241 PolarHBondContact O-N 3.17Å; Q241-M243 VanDerWaalsContact C-N 3.32Å; Q241-M243 PolarHBondContact O-N 3.32Å; Q241-N244 PolarHBondContact O-N 3.23Å; Q241-D245 PolarHBondContact NE2-OD1 3.26Å; Q241-D245 WeakPolarHBondContact O-CB 3.34Å; Q241-D245 PolarHBondContact O-N 3.5Å |
| 242 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I151 I154 A155 H238 V239 E240 F246 | I151-A242 HydrophobicContact CG2-CB 4.01Å; I154-A242 HydrophobicContact CB-CB 4.04Å; I154-A242 HydrophobicContact CG2-CB 3.83Å; A155-A242 HydrophobicContact CB-CB 4.37Å; H238-A242 VanDerWaalsContact O-CB 3.32Å; H238-A242 WeakPolarHBondContact O-CB 3.33Å; H238-A242 PolarHBondContact O-N 3.25Å; V239-A242 PolarHBondContact O-N 3.4Å; E240-A242 PolarHBondContact O-N 3.34Å; A242-F246 VanDerWaalsContact O-CB 3.22Å; A242-F246 WeakPolarHBondContact O-CB 3.25Å; A242-F246 PolarHBondContact O-N 3.46Å |
| 243 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 173.6 | -72.3 | -179.5 | 170.4 | 0 | 0 | 112.2 | L137 F148 I151 V239 E240 Q241 S247 Q255 P256 R299 | L137-M243 HydrophobicContact CD1-CE 4Å; F148-M243 HydrophobicContact CE1-CE 4.14Å; F148-M243 HydrophobicContact CZ-CE 4.19Å; I151-M243 HydrophobicContact CD1-CG 4.09Å; I151-M243 HydrophobicContact CG2-CG 3.91Å; V239-M243 HydrophobicContact CG1-CE 3.98Å; V239-M243 HydrophobicContact CG1-SD 4.31Å; V239-M243 WeakPolarHBondContact O-CG 3.12Å; V239-M243 PolarHBondContact O-N 2.84Å; E240-M243 PolarHBondContact O-N 2.83Å; Q241-M243 VanDerWaalsContact C-N 3.32Å; Q241-M243 PolarHBondContact O-N 3.32Å; M243-S247 WeakPolarHBondContact O-CB 3.26Å; M243-S247 PolarHBondContact O-N 3.26Å; M243-Q255 VanDerWaalsContact SD-CA 3.57Å; M243-P256 HydrophobicContact SD-CG 4.19Å; M243-R299 HydrophobicContact CE-CB 4.36Å |
| 244 | N | 98.7 | Very high | 98.2 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69 | -44.4 | 177.2 | -68.9 | -26.2 | 0 | 0 | 0 | 112 | E240 Q241 F246 S247 A248 Q253 | E240-N244 VanDerWaalsContact O-CG 3.24Å; E240-N244 PolarHBondContact O-N 2.92Å; E240-N244 PolarHBondContact O-ND2 3.08Å; Q241-N244 PolarHBondContact O-N 3.23Å; N244-F246 VanDerWaalsContact C-N 3.29Å; N244-F246 PolarHBondContact O-N 3.01Å; N244-S247 WeakPolarHBondContact O-CB 3.3Å; N244-S247 PolarHBondContact O-N 2.92Å; N244-A248 PolarHBondContact O-N 2.9Å; N244-Q253 PolarHBondContact OD1-NE2 3.11Å |
| 245 | D | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 174.8 | -65.4 | -17.3 | 0 | 0 | 0 | 110 | K158 L190 Q241 S247 A248 A249 | K158-D245 IonicContact NZ-OD2 2.59Å; K158-D245 PolarHBondContact NZ-OD2 3.37Å; L190-D245 HydrophobicContact CD2-CB 4.04Å; Q241-D245 PolarHBondContact NE2-OD1 3.26Å; Q241-D245 WeakPolarHBondContact O-CB 3.34Å; Q241-D245 PolarHBondContact O-N 3.5Å; D245-S247 PolarHBondContact O-N 2.6Å; D245-A248 PolarHBondContact O-N 3.38Å; D245-A249 PolarHBondContact O-N 2.78Å; D245-A249 VanDerWaalsContact O-N 3.1Å |
| 246 | F | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.4 | -172.4 | -88.6 | 0 | 0 | 0 | 112.6 | D147 L150 I151 L182 L190 A242 N244 A249 T250 R252 Y254 | D147-F246 HydrophobicContact CB-CE1 3.77Å; D147-F246 HydrophobicContact CB-CE2 4.24Å; D147-F246 HydrophobicContact CB-CZ 3.48Å; D147-F246 VanDerWaalsContact CB-CZ 3.48Å; D147-F246 WeakPolarHBondContact OD1-CZ 3.27Å; L150-F246 HydrophobicContact CD2-CD2 4.17Å; L150-F246 HydrophobicContact CD2-CE2 4.04Å; I151-F246 HydrophobicContact CD1-CB 4.05Å; I151-F246 HydrophobicContact CD1-CD1 4.07Å; I151-F246 HydrophobicContact CD1-CD2 4.24Å; I151-F246 HydrophobicContact CD1-CG 3.86Å; I151-F246 HydrophobicContact CG1-CB 3.93Å; I151-F246 HydrophobicContact CG1-CD2 4Å; I151-F246 HydrophobicContact CG1-CG 3.96Å; L182-F246 HydrophobicContact CD1-CE2 4.12Å; L182-F246 HydrophobicContact CD2-CE2 3.82Å; L182-F246 HydrophobicContact CD2-CZ 3.83Å; L190-F246 HydrophobicContact CD1-CD2 3.96Å; A242-F246 VanDerWaalsContact O-CB 3.22Å; A242-F246 WeakPolarHBondContact O-CB 3.25Å; A242-F246 PolarHBondContact O-N 3.46Å; N244-F246 VanDerWaalsContact C-N 3.29Å; N244-F246 PolarHBondContact O-N 3.01Å; F246-A249 PolarHBondContact O-N 3.23Å; F246-T250 HydrophobicContact CD1-CG2 4.26Å; F246-T250 WeakPolarHBondContact CD1-OG1 3.1Å; F246-T250 HydrophobicContact CD2-CG2 4.34Å; F246-T250 HydrophobicContact CE1-CG2 3.98Å; F246-T250 WeakPolarHBondContact CE1-OG1 3.38Å; F246-T250 HydrophobicContact CE2-CG2 4.07Å; F246-T250 HydrophobicContact CG-CG2 4.43Å; F246-T250 HydrophobicContact CZ-CG2 3.88Å; F246-T250 WeakPolarHBondContact O-CB 3.26Å; F246-T250 WeakPolarHBondContact O-CG2 3.3Å; F246-T250 PolarHBondContact O-N 3.42Å; F246-T250 PolarHBondContact O-OG1 3.44Å; F246-R252 HydrophobicContact CE1-CB 4.22Å; F246-R252 VanDerWaalsContact CZ-NH2 3.33Å; F246-Y254 HydrophobicContact CD1-CD2 4.37Å; F246-Y254 HydrophobicContact CD1-CE2 4.11Å; F246-Y254 AromaticContact CE1-CE2 3.92Å; F246-Y254 HydrophobicContact CE1-CE2 3.92Å |
| 247 | S | 98.4 | Very high | 98.2 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | M243 N244 D245 A249 T250 G251 R252 Q253 | M243-S247 WeakPolarHBondContact O-CB 3.26Å; M243-S247 PolarHBondContact O-N 3.26Å; N244-S247 WeakPolarHBondContact O-CB 3.3Å; N244-S247 PolarHBondContact O-N 2.92Å; D245-S247 PolarHBondContact O-N 2.6Å; S247-A249 VanDerWaalsContact C-N 3.28Å; S247-A249 PolarHBondContact O-N 2.86Å; S247-T250 PolarHBondContact O-N 3.25Å; S247-G251 VanDerWaalsContact O-CA 3.25Å; S247-G251 WeakPolarHBondContact O-CA 3.32Å; S247-G251 PolarHBondContact O-N 2.91Å; S247-R252 WeakPolarHBondContact CA-O 3.32Å; S247-R252 WeakPolarHBondContact CB-O 3.39Å; S247-Q253 PolarHBondContact OG-OE1 3Å |
| 248 | A | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 39.8 Ų | 39.8 | 77% | 0.769 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.9 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N244 D245 | N244-A248 PolarHBondContact O-N 2.9Å; D245-A248 PolarHBondContact O-N 3.38Å |
| 249 | A | 97.5 | Very high | 98.2 | Very high | 54 Ų | 54 | 39.5 Ų | 39.5 | 45% | 0.446 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -80.4 | -30.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T186 L190 D245 F246 S247 | T186-A249 HydrophobicContact CG2-CB 4.14Å; L190-A249 HydrophobicContact CD1-CB 4.09Å; L190-A249 HydrophobicContact CD2-CB 4.07Å; L190-A249 HydrophobicContact CG-CB 4.26Å; D245-A249 PolarHBondContact O-N 2.78Å; D245-A249 VanDerWaalsContact O-N 3.1Å; F246-A249 PolarHBondContact O-N 3.23Å; S247-A249 VanDerWaalsContact C-N 3.28Å; S247-A249 PolarHBondContact O-N 2.86Å |
| 250 | T | 97.1 | Very high | 98.2 | Very high | 34 Ų | 34 | 42.3 Ų | 42.3 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -122.7 | -12 | -166.8 | 72.7 | 0 | 0 | 0 | 0 | 115.3 | L182 T186 F246 S247 R252 | L182-T250 HydrophobicContact CD2-CG2 4.03Å; T186-T250 HydrophobicContact CG2-CG2 4.09Å; F246-T250 HydrophobicContact CD1-CG2 4.26Å; F246-T250 WeakPolarHBondContact CD1-OG1 3.1Å; F246-T250 HydrophobicContact CD2-CG2 4.34Å; F246-T250 HydrophobicContact CE1-CG2 3.98Å; F246-T250 WeakPolarHBondContact CE1-OG1 3.38Å; F246-T250 HydrophobicContact CE2-CG2 4.07Å; F246-T250 HydrophobicContact CG-CG2 4.43Å; F246-T250 HydrophobicContact CZ-CG2 3.88Å; F246-T250 WeakPolarHBondContact O-CB 3.26Å; F246-T250 WeakPolarHBondContact O-CG2 3.3Å; F246-T250 PolarHBondContact O-N 3.42Å; F246-T250 PolarHBondContact O-OG1 3.44Å; S247-T250 PolarHBondContact O-N 3.25Å; T250-R252 VanDerWaalsContact C-N 3.25Å; T250-R252 PolarHBondContact O-N 2.87Å; T250-R252 PolarHBondContact OG1-N 3.49Å |
| 251 | G | 96.9 | Very high | 98.2 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 75.9 | 1.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S247 | S247-G251 VanDerWaalsContact O-CA 3.25Å; S247-G251 WeakPolarHBondContact O-CA 3.32Å; S247-G251 PolarHBondContact O-N 2.91Å |
| 252 | R | 97.1 | Very high | 98.2 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -101.8 | 110.2 | -179.3 | -62.9 | -173.5 | -61 | -75.9 | 8 | 110.5 | D147 F246 S247 T250 Y254 | D147-R252 IonicContact OD1-CZ 3.78Å; D147-R252 IonicContact OD1-NE 3.62Å; D147-R252 IonicContact OD1-NH2 3.27Å; D147-R252 PolarHBondContact OD1-NH2 2.56Å; D147-R252 IonicContact OD2-CZ 3.76Å; D147-R252 IonicContact OD2-NE 3.73Å; D147-R252 PolarHBondContact OD2-NE 2.98Å; D147-R252 IonicContact OD2-NH2 3.43Å; F246-R252 HydrophobicContact CE1-CB 4.22Å; F246-R252 VanDerWaalsContact CZ-NH2 3.33Å; S247-R252 WeakPolarHBondContact CA-O 3.32Å; S247-R252 WeakPolarHBondContact CB-O 3.39Å; T250-R252 VanDerWaalsContact C-N 3.25Å; T250-R252 PolarHBondContact O-N 2.87Å; T250-R252 PolarHBondContact OG1-N 3.49Å; R252-Y254 HydrophobicContact CB-CE2 4.05Å | ||
| 253 | Q | 97.9 | Very high | 98.1 | Very high | 90 Ų | 90 | 44 Ų | 44 | 42% | 0.421 | 26% | 0.264 | S | S | . | . | trans | -90.8 | 137.2 | -179 | -175.2 | 68 | 47 | 0 | 0 | 111.5 | N244 S247 | N244-Q253 PolarHBondContact OD1-NE2 3.11Å; S247-Q253 PolarHBondContact OG-OE1 3Å | ||
| 254 | Y | 98.4 | Very high | 98 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 8% | 0.078 | 29% | 0.289 | C | S | . | . | trans | -132.5 | 164.3 | 171.6 | -56.4 | -69.4 | 0 | 0 | 0 | 110.2 | E144 D147 F148 I151 F246 R252 | E144-Y254 HydrophobicContact CG-CE1 3.8Å; D147-Y254 HydrophobicContact CB-CE2 3.91Å; D147-Y254 PolarHBondContact OD2-OH 3.15Å; F148-Y254 AromaticContact CE1-CD1 3.86Å; F148-Y254 HydrophobicContact CE1-CD1 3.86Å; F148-Y254 AromaticContact CE1-CD2 3.75Å; F148-Y254 HydrophobicContact CE1-CD2 3.75Å; F148-Y254 HydrophobicContact CE1-CE1 4.24Å; F148-Y254 HydrophobicContact CE1-CE2 4.12Å; F148-Y254 AromaticContact CE1-CG 3.59Å; F148-Y254 HydrophobicContact CE1-CG 3.59Å; F148-Y254 HydrophobicContact CZ-CD1 4.03Å; F148-Y254 HydrophobicContact CZ-CG 4.1Å; I151-Y254 HydrophobicContact CD1-CD2 3.95Å; I151-Y254 HydrophobicContact CD1-CE2 4.43Å; F246-Y254 HydrophobicContact CD1-CD2 4.37Å; F246-Y254 HydrophobicContact CD1-CE2 4.11Å; F246-Y254 AromaticContact CE1-CE2 3.92Å; F246-Y254 HydrophobicContact CE1-CE2 3.92Å; R252-Y254 HydrophobicContact CB-CE2 4.05Å | ||
| 255 | Q | 98.2 | Very high | 98 | Very high | 53 Ų | 53 | 46.8 Ų | 46.8 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | trans | -138.3 | 148.1 | 170.7 | -70.2 | -63.3 | -23.3 | 0 | 0 | 109.8 | M243 F257 E258 R299 | M243-Q255 VanDerWaalsContact SD-CA 3.57Å; Q255-F257 VanDerWaalsContact C-N 3.25Å; Q255-F257 WeakPolarHBondContact CB-O 3.32Å; Q255-F257 PolarHBondContact O-N 3.29Å; Q255-E258 HydrophobicContact CB-CB 4.23Å; Q255-R299 VanDerWaalsContact O-CG 3.24Å; Q255-R299 WeakPolarHBondContact O-CG 3.25Å | ||
| 256 | P | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -56.9 | -38.4 | 177.1 | -28.2 | 37 | 0 | 0 | 0 | 113.3 | Y236 V239 E240 M243 R299 L300 | Y236-P256 HydrophobicContact CD2-CB 4.09Å; Y236-P256 HydrophobicContact CD2-CG 4.32Å; Y236-P256 HydrophobicContact CE1-CG 4.26Å; Y236-P256 HydrophobicContact CE2-CB 3.44Å; Y236-P256 VanDerWaalsContact CE2-CB 3.44Å; Y236-P256 HydrophobicContact CE2-CG 3.74Å; V239-P256 HydrophobicContact CG1-CG 4.14Å; E240-P256 HydrophobicContact CB-CG 4.3Å; M243-P256 HydrophobicContact SD-CG 4.19Å; P256-R299 WeakPolarHBondContact O-CA 3.45Å; P256-R299 WeakPolarHBondContact O-CB 3.35Å; P256-R299 PolarHBondContact O-N 2.88Å; P256-L300 HydrophobicContact CB-CB 3.79Å; P256-L300 HydrophobicContact CB-CD2 4.31Å; P256-L300 PolarHBondContact O-N 2.79Å; P256-L300 VanDerWaalsContact O-N 3.1Å |
| 257 | F | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.3 | 165.9 | -64.2 | -80.2 | 0 | 0 | 0 | 108.3 | Y236 Q255 L296 K297 V298 F304 H308 L309 A312 | Y236-F257 AromaticContact CE2-CD2 3.93Å; Y236-F257 HydrophobicContact CE2-CD2 3.93Å; Y236-F257 HydrophobicContact CE2-CE2 4.1Å; Q255-F257 VanDerWaalsContact C-N 3.25Å; Q255-F257 WeakPolarHBondContact CB-O 3.32Å; Q255-F257 PolarHBondContact O-N 3.29Å; F257-L296 HydrophobicContact CB-CD2 4.34Å; F257-L296 HydrophobicContact CD1-CD2 3.95Å; F257-K297 WeakPolarHBondContact CA-O 3.17Å; F257-V298 HydrophobicContact CD1-CB 4.38Å; F257-V298 HydrophobicContact CD1-CG1 4.31Å; F257-V298 HydrophobicContact CD1-CG2 3.95Å; F257-V298 HydrophobicContact CE1-CB 4.28Å; F257-V298 HydrophobicContact CE1-CG1 3.78Å; F257-V298 HydrophobicContact CE1-CG2 3.9Å; F257-F304 HydrophobicContact CE1-CE2 4.08Å; F257-F304 HydrophobicContact CE1-CZ 4.37Å; F257-F304 HydrophobicContact CZ-CD2 4.25Å; F257-F304 HydrophobicContact CZ-CE2 4.2Å; F257-F304 HydrophobicContact CZ-CZ 4.49Å; F257-H308 HydrophobicContact CD2-CB 3.99Å; F257-H308 HydrophobicContact CE2-CB 4.41Å; F257-L309 HydrophobicContact CD1-CB 4.34Å; F257-L309 HydrophobicContact CD1-CD1 3.82Å; F257-L309 HydrophobicContact CE1-CB 4.26Å; F257-L309 HydrophobicContact CE1-CD1 3.96Å; F257-L309 HydrophobicContact CG-CB 4.5Å; F257-L309 HydrophobicContact CZ-CB 4.37Å; F257-A312 HydrophobicContact CB-CB 4.08Å |
| 258 | E | 98.1 | Very high | 98 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.4 | -174.4 | -169.7 | -163.7 | 145 | 0 | 0 | 110 | Q255 K297 R299 | Q255-E258 HydrophobicContact CB-CB 4.23Å; E258-K297 HydrophobicContact CB-CB 4.26Å; E258-K297 HydrophobicContact CB-CD 4.2Å; E258-K297 HydrophobicContact CG-CD 4.37Å; E258-K297 PolarHBondContact N-O 3.3Å; E258-K297 WeakPolarHBondContact O-CB 3.41Å; E258-K297 PolarHBondContact O-N 3.13Å; E258-K297 IonicContact OE1-NZ 2.58Å; E258-K297 PolarHBondContact OE1-NZ 3.29Å; E258-K297 IonicContact OE2-NZ 3.66Å; E258-R299 IonicContact OE2-NH2 3.93Å |
| 259 | Y | 98.6 | Very high | 98 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 20% | 0.2 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 137.9 | 177.6 | 176.8 | -100.8 | 0 | 0 | 0 | 111.3 | H262 A265 V268 V295 A312 P314 | Y259-H262 PolarHBondContact OH-N 2.75Å; Y259-H262 PolarHBondContact OH-O 2.91Å; Y259-A265 WeakPolarHBondContact OH-CB 3.37Å; Y259-V268 HydrophobicContact CE2-CG2 4.04Å; Y259-V295 WeakPolarHBondContact CD2-O 3.14Å; Y259-A312 VanDerWaalsContact CB-O 3.3Å; Y259-A312 WeakPolarHBondContact CB-O 3.44Å; Y259-P314 HydrophobicContact CD1-CG 4.18Å; Y259-P314 HydrophobicContact CD2-CG 4.2Å; Y259-P314 HydrophobicContact CE1-CG 3.76Å; Y259-P314 HydrophobicContact CE2-CG 3.78Å; Y259-P314 HydrophobicContact CG-CG 4.38Å |
| 260 | Y | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 41.9 Ų | 41.9 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.9 | 174.6 | -175.7 | -92.8 | 0 | 0 | 0 | 110.4 | E280 V283 D284 G294 V295 R476 | Y260-E280 HydrophobicContact CD1-CB 4.18Å; Y260-E280 HydrophobicContact CD1-CG 3.78Å; Y260-E280 HydrophobicContact CE1-CB 4Å; Y260-E280 HydrophobicContact CE1-CG 4.07Å; Y260-E280 HydrophobicContact CG-CG 4.2Å; Y260-V283 HydrophobicContact CD1-CG1 4.13Å; Y260-V283 HydrophobicContact CE1-CG1 4.2Å; Y260-D284 VanDerWaalsContact CE1-OD1 3.25Å; Y260-D284 WeakPolarHBondContact CE1-OD1 3.44Å; Y260-D284 VanDerWaalsContact CZ-OD1 3.26Å; Y260-D284 VanDerWaalsContact OH-CG 3.23Å; Y260-D284 PolarHBondContact OH-OD1 3.36Å; Y260-D284 PolarHBondContact OH-OD2 3.32Å; Y260-G294 CarbonylContact O-C 3.6Å; Y260-G294 VanDerWaalsContact O-CA 3.27Å; Y260-G294 WeakPolarHBondContact O-CA 3.35Å; Y260-V295 HydrophobicContact CD1-CG1 4.2Å; Y260-V295 PolarHBondContact N-O 3.4Å; Y260-V295 PolarHBondContact O-N 2.88Å; Y260-R476 PolarHBondContact OH-NH1 2.79Å |
| 261 | G | 98.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.6 | -158.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 262 | H | 98.2 | Very high | 98.2 | Very high | 63 Ų | 63 | 37.3 Ų | 37.3 | 29% | 0.292 | 18% | 0.181 | S | C | . | . | trans | -62.8 | 131.7 | -177.5 | -166.1 | -95.7 | 0 | 0 | 0 | 110.7 | Y259 Q264 A265 L287 V293 | Y259-H262 PolarHBondContact OH-N 2.75Å; Y259-H262 PolarHBondContact OH-O 2.91Å; H262-Q264 WeakPolarHBondContact ND1-CA 3.32Å; H262-Q264 PolarHBondContact ND1-N 2.94Å; H262-Q264 PolarHBondContact ND1-O 2.88Å; H262-Q264 PolarHBondContact O-N 3.28Å; H262-A265 HydrophobicContact CB-CB 4.25Å; H262-A265 WeakPolarHBondContact O-CB 3.36Å; H262-A265 PolarHBondContact O-N 3.23Å; H262-L287 HydrophobicContact CB-CD2 3.66Å; H262-V293 PolarHBondContact N-O 2.82Å | ||
| 263 | P | 97.3 | Very high | 98.3 | Very high | 99 Ų | 99 | 35.2 Ų | 35.2 | 64% | 0.643 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.9 | 179.2 | -25.3 | 34.2 | 0 | 0 | 0 | 114 | ||
| 264 | Q | 96.9 | Very high | 98.3 | Very high | 111 Ų | 111 | 31.1 Ų | 31.1 | 52% | 0.519 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 46.3 | 175.2 | -60.3 | -66.2 | -29.5 | 0 | 0 | 111.5 | H262 S316 | H262-Q264 WeakPolarHBondContact ND1-CA 3.32Å; H262-Q264 PolarHBondContact ND1-N 2.94Å; H262-Q264 PolarHBondContact ND1-O 2.88Å; H262-Q264 PolarHBondContact O-N 3.28Å; Q264-S316 VanDerWaalsContact C-OG 3.27Å; Q264-S316 WeakPolarHBondContact CA-OG 3.41Å; Q264-S316 PolarHBondContact OE1-OG 3.29Å |
| 265 | A | 97.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -64.2 | 142.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y259 H262 V268 K292 S316 V317 | Y259-A265 WeakPolarHBondContact OH-CB 3.37Å; H262-A265 HydrophobicContact CB-CB 4.25Å; H262-A265 WeakPolarHBondContact O-CB 3.36Å; H262-A265 PolarHBondContact O-N 3.23Å; A265-V268 HydrophobicContact CB-CG2 3.94Å; A265-K292 WeakPolarHBondContact CA-O 3.25Å; A265-S316 CarbonylContact O-C 3.57Å; A265-S316 PolarHBondContact O-OG 3.02Å; A265-V317 WeakPolarHBondContact O-CA 3.48Å; A265-V317 PolarHBondContact O-N 3.08Å | ||
| 266 | E | 97.8 | Very high | 98.4 | Very high | 85 Ų | 85 | 27.8 Ų | 27.8 | 40% | 0.397 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -102.4 | -26.6 | 176.8 | -66.6 | 173.7 | -166.4 | 0 | 0 | 111.3 | K292 R318 S319 | E266-K292 HydrophobicContact CB-CB 4.48Å; E266-K292 HydrophobicContact CG-CB 4.29Å; E266-K292 HydrophobicContact CG-CD 3.99Å; E266-K292 PolarHBondContact N-O 2.77Å; E266-K292 WeakPolarHBondContact OE1-CD 3.43Å; E266-K292 IonicContact OE1-NZ 2.74Å; E266-K292 PolarHBondContact OE1-NZ 3.19Å; E266-R318 PolarHBondContact O-N 3.1Å; E266-S319 PolarHBondContact O-N 2.77Å |
| 267 | R | 98.4 | Very high | 98.3 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 11% | 0.106 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.8 | 179 | -69.1 | 174.1 | -70 | 141.9 | 3.5 | 110 | E291 K292 V293 G294 S319 F380 L383 | R267-E291 IonicContact CZ-OE2 2.76Å; R267-E291 IonicContact NH1-OE2 2.65Å; R267-E291 PolarHBondContact NH1-OE2 3.43Å; R267-E291 VanDerWaalsContact NH1-OE2 3.16Å; R267-E291 IonicContact NH2-OE2 3.36Å; R267-E291 PolarHBondContact NH2-OE2 3.23Å; R267-K292 PolarHBondContact N-O 2.91Å; R267-V293 HydrophobicContact CB-CG1 4.36Å; R267-V293 WeakPolarHBondContact O-CA 3.38Å; R267-G294 PolarHBondContact O-N 2.98Å; R267-G294 VanDerWaalsContact O-N 3.13Å; R267-S319 WeakPolarHBondContact CA-O 3.35Å; R267-F380 HydrophobicContact CB-CD1 4.41Å; R267-F380 PolarHBondContact NH1-O 3.47Å; R267-L383 HydrophobicContact CB-CB 4.36Å; R267-L383 HydrophobicContact CB-CD1 4.23Å; R267-L383 HydrophobicContact CG-CB 4.08Å |
| 268 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140 | -178 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | Y259 A265 I270 G294 L296 L313 V317 S319 V320 A321 | Y259-V268 HydrophobicContact CE2-CG2 4.04Å; A265-V268 HydrophobicContact CB-CG2 3.94Å; V268-I270 HydrophobicContact CG1-CG1 4.2Å; V268-G294 VanDerWaalsContact CA-O 3.3Å; V268-G294 WeakPolarHBondContact CA-O 3.33Å; V268-L296 HydrophobicContact CG1-CB 4.25Å; V268-L313 HydrophobicContact CB-CD1 4.29Å; V268-L313 HydrophobicContact CG1-CD1 3.92Å; V268-L313 HydrophobicContact CG2-CD1 4.39Å; V268-V317 HydrophobicContact CB-CG1 4.39Å; V268-V317 HydrophobicContact CB-CG2 4.36Å; V268-V317 HydrophobicContact CG2-CG1 4.33Å; V268-V317 HydrophobicContact CG2-CG2 3.52Å; V268-S319 PolarHBondContact N-O 3.44Å; V268-V320 CarbonylContact O-C 3.57Å; V268-V320 VanDerWaalsContact O-CA 3.27Å; V268-V320 WeakPolarHBondContact O-CA 3.4Å; V268-A321 PolarHBondContact O-N 3.08Å |
| 269 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.6 | 166.8 | -60.8 | 178.2 | 0 | 0 | 0 | 108.8 | L271 G294 V295 L296 A321 L323 V376 V379 F380 L383 | I269-L271 HydrophobicContact CG2-CD2 4.05Å; I269-G294 PolarHBondContact N-O 2.99Å; I269-V295 CarbonylContact O-C 3.55Å; I269-V295 VanDerWaalsContact O-CA 3.28Å; I269-V295 WeakPolarHBondContact O-CA 3.43Å; I269-L296 PolarHBondContact O-N 2.92Å; I269-A321 CarbonylContact C-O 3.6Å; I269-A321 VanDerWaalsContact CA-O 3.31Å; I269-A321 WeakPolarHBondContact CA-O 3.46Å; I269-A321 HydrophobicContact CG1-CB 4.44Å; I269-L323 HydrophobicContact CG2-CD1 3.6Å; I269-L323 HydrophobicContact CG2-CG 3.89Å; I269-V376 HydrophobicContact CD1-CG1 3.75Å; I269-V379 HydrophobicContact CD1-CB 4.16Å; I269-V379 HydrophobicContact CD1-CG1 3.71Å; I269-V379 HydrophobicContact CG1-CG1 3.95Å; I269-F380 HydrophobicContact CD1-CD1 4.42Å; I269-F380 HydrophobicContact CD1-CD2 4.01Å; I269-F380 HydrophobicContact CD1-CE1 4.05Å; I269-F380 HydrophobicContact CD1-CE2 3.61Å; I269-F380 HydrophobicContact CD1-CG 4.4Å; I269-F380 HydrophobicContact CD1-CZ 3.62Å; I269-F380 HydrophobicContact CG1-CD1 4.44Å; I269-F380 HydrophobicContact CG1-CE1 3.87Å; I269-F380 HydrophobicContact CG1-CE2 4.3Å; I269-F380 HydrophobicContact CG1-CZ 3.78Å; I269-L383 HydrophobicContact CG1-CD1 4.39Å |
| 270 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.1 | 172.5 | -51.7 | -169 | 0 | 0 | 0 | 108.3 | V268 L296 V298 L309 L313 V320 A321 V322 L323 V340 | V268-I270 HydrophobicContact CG1-CG1 4.2Å; I270-L296 WeakPolarHBondContact CA-O 3.38Å; I270-L296 HydrophobicContact CD1-CB 4.45Å; I270-L296 HydrophobicContact CD1-CD1 4.47Å; I270-L296 HydrophobicContact CG1-CB 4Å; I270-L296 HydrophobicContact CG2-CB 4.45Å; I270-L296 HydrophobicContact CG2-CD2 4.14Å; I270-V298 HydrophobicContact CG2-CG2 3.73Å; I270-L309 HydrophobicContact CD1-CD1 4.48Å; I270-L313 HydrophobicContact CD1-CD1 4.4Å; I270-V320 HydrophobicContact CD1-CG1 3.71Å; I270-V320 HydrophobicContact CG1-CG1 3.75Å; I270-A321 PolarHBondContact N-O 3.48Å; I270-V322 HydrophobicContact CB-CG2 4.48Å; I270-V322 WeakPolarHBondContact O-CA 3.48Å; I270-L323 PolarHBondContact O-N 3.43Å; I270-V340 HydrophobicContact CD1-CG1 3.93Å; I270-V340 HydrophobicContact CD1-CG2 4.38Å; I270-V340 HydrophobicContact CG2-CG2 4.04Å |
| 271 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 175.4 | -175.8 | 80.7 | 171.2 | 0 | 0 | 0 | 113.1 | I269 A275 I276 V295 L296 V298 L323 | I269-L271 HydrophobicContact CG2-CD2 4.05Å; L271-A275 HydrophobicContact CD1-CB 3.55Å; L271-I276 HydrophobicContact CD2-CG1 3.89Å; L271-I276 HydrophobicContact CG-CG1 3.91Å; L271-V295 HydrophobicContact CD2-CG2 3.24Å; L271-L296 PolarHBondContact N-O 3.45Å; L271-V298 PolarHBondContact O-N 2.85Å; L271-L323 HydrophobicContact CB-CB 3.96Å; L271-L323 HydrophobicContact CD1-CD1 4.32Å |
| 272 | M | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.02 | 11% | 0.111 | C | C | . | . | trans | -129.3 | 157.4 | -179.3 | -67 | 166.4 | 56.1 | 0 | 0 | 110.8 | M127 C138 F166 V298 Y301 L336 Y364 | M127-M272 HydrophobicContact CE-CE 4.14Å; C138-M272 HydrophobicContact CB-CE 4.19Å; F166-M272 HydrophobicContact CE1-CE 4.39Å; F166-M272 HydrophobicContact CE2-CE 4.28Å; F166-M272 HydrophobicContact CZ-CE 3.48Å; F166-M272 VanDerWaalsContact CZ-CE 3.48Å; M272-V298 HydrophobicContact CG-CB 3.55Å; M272-V298 HydrophobicContact CG-CG1 3.87Å; M272-V298 HydrophobicContact SD-CB 4.25Å; M272-V298 HydrophobicContact SD-CG1 3.95Å; M272-Y301 VanDerWaalsContact CE-CB 3.45Å; M272-Y301 HydrophobicContact CE-CD1 4.18Å; M272-Y301 HydrophobicContact CE-CD2 3.99Å; M272-Y301 HydrophobicContact CE-CG 3.61Å; M272-Y301 HydrophobicContact SD-CD2 3.59Å; M272-Y301 VanDerWaalsContact SD-CD2 3.59Å; M272-Y301 HydrophobicContact SD-CE2 4.27Å; M272-Y301 HydrophobicContact SD-CG 3.88Å; M272-L336 HydrophobicContact CG-CD2 3.97Å; M272-L336 HydrophobicContact SD-CD1 3.91Å; M272-L336 HydrophobicContact SD-CD2 3.86Å; M272-L336 HydrophobicContact SD-CG 4.31Å; M272-Y364 PolarHBondContact O-OH 3.03Å | ||
| 273 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | 74.5 | -159.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C138 A140 A275 I276 | C138-G273 VanDerWaalsContact SG-CA 3.51Å; C138-G273 PolarHBondContact SG-N 3.31Å; A140-G273 WeakPolarHBondContact CB-O 3.22Å; G273-A275 VanDerWaalsContact C-N 3.29Å; G273-A275 PolarHBondContact O-N 2.74Å; G273-I276 WeakPolarHBondContact O-CB 3.29Å; G273-I276 WeakPolarHBondContact O-CD1 3.45Å; G273-I276 VanDerWaalsContact O-CG1 3.32Å; G273-I276 WeakPolarHBondContact O-CG1 3.29Å; G273-I276 PolarHBondContact O-N 2.83Å; G273-I276 VanDerWaalsContact O-N 3.16Å |
| 274 | S | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.5 | -162.9 | 60.4 | 0 | 0 | 0 | 0 | 116 | A140 D168 R171 I276 G277 R325 A478 | A140-S274 WeakPolarHBondContact O-CA 3.5Å; A140-S274 WeakPolarHBondContact O-CB 3.4Å; D168-S274 VanDerWaalsContact OD2-CB 3.25Å; D168-S274 WeakPolarHBondContact OD2-CB 3.11Å; D168-S274 PolarHBondContact OD2-N 2.84Å; D168-S274 PolarHBondContact OD2-OG 2.99Å; R171-S274 VanDerWaalsContact CG-OG 3.24Å; R171-S274 WeakPolarHBondContact CG-OG 3.37Å; S274-I276 PolarHBondContact O-N 2.55Å; S274-I276 VanDerWaalsContact O-N 3.07Å; S274-G277 PolarHBondContact O-N 2.92Å; S274-R325 PolarHBondContact OG-NH1 3.19Å; S274-A478 WeakPolarHBondContact O-CB 3.29Å |
| 275 | A | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 2% | 0.017 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.7 | -15 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L271 G273 G277 T278 C279 Y364 F371 | L271-A275 HydrophobicContact CD1-CB 3.55Å; G273-A275 VanDerWaalsContact C-N 3.29Å; G273-A275 PolarHBondContact O-N 2.74Å; A275-G277 VanDerWaalsContact C-N 3.3Å; A275-G277 PolarHBondContact O-N 2.62Å; A275-T278 PolarHBondContact O-N 3.22Å; A275-C279 PolarHBondContact O-N 3.1Å; A275-C279 PolarHBondContact O-SG 3.26Å; A275-Y364 HydrophobicContact CB-CD2 4.29Å; A275-Y364 HydrophobicContact CB-CE2 3.4Å; A275-Y364 VanDerWaalsContact CB-CE2 3.4Å; A275-F371 HydrophobicContact CB-CD1 3.46Å; A275-F371 VanDerWaalsContact CB-CD1 3.46Å; A275-F371 HydrophobicContact CB-CE1 3.57Å; A275-F371 HydrophobicContact CB-CG 4.36Å |
| 276 | I | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -54.4 | -47 | 172.6 | -73.4 | 166.3 | 0 | 0 | 0 | 110.7 | A140 L271 G273 S274 T278 C279 E280 K297 | A140-I276 HydrophobicContact CB-CB 4.02Å; A140-I276 HydrophobicContact CB-CD1 4.03Å; A140-I276 HydrophobicContact CB-CG2 4.48Å; L271-I276 HydrophobicContact CD2-CG1 3.89Å; L271-I276 HydrophobicContact CG-CG1 3.91Å; G273-I276 WeakPolarHBondContact O-CB 3.29Å; G273-I276 WeakPolarHBondContact O-CD1 3.45Å; G273-I276 VanDerWaalsContact O-CG1 3.32Å; G273-I276 WeakPolarHBondContact O-CG1 3.29Å; G273-I276 PolarHBondContact O-N 2.83Å; G273-I276 VanDerWaalsContact O-N 3.16Å; S274-I276 PolarHBondContact O-N 2.55Å; S274-I276 VanDerWaalsContact O-N 3.07Å; I276-T278 VanDerWaalsContact C-N 3.32Å; I276-T278 PolarHBondContact O-N 3.44Å; I276-C279 PolarHBondContact O-N 2.98Å; I276-C279 VanDerWaalsContact O-N 3.13Å; I276-E280 HydrophobicContact CG2-CG 4.43Å; I276-E280 WeakPolarHBondContact O-CG 3.45Å; I276-E280 PolarHBondContact O-N 2.82Å; I276-K297 HydrophobicContact CD1-CB 3.82Å; I276-K297 HydrophobicContact CD1-CG 4.15Å; I276-K297 HydrophobicContact CG1-CB 4.43Å; I276-K297 HydrophobicContact CG1-CG 4.3Å; I276-K297 HydrophobicContact CG2-CD 3.7Å; I276-K297 HydrophobicContact CG2-CG 3.7Å |
| 277 | G | 96.8 | Very high | 97.9 | Very high | 10 Ų | 10 | 11.6 Ų | 11.6 | 10% | 0.103 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S274 A275 E280 E281 R476 | S274-G277 PolarHBondContact O-N 2.92Å; A275-G277 VanDerWaalsContact C-N 3.3Å; A275-G277 PolarHBondContact O-N 2.62Å; G277-E280 PolarHBondContact O-N 3.13Å; G277-E281 PolarHBondContact O-N 3.48Å; G277-E281 VanDerWaalsContact O-N 3.15Å; G277-R476 CarbonylContact C-O 3.49Å; G277-R476 WeakPolarHBondContact CA-O 3.25Å |
| 278 | T | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | 175.5 | -47.6 | 0 | 0 | 0 | 0 | 112.3 | A275 I276 E281 V282 P373 V376 Y479 | A275-T278 PolarHBondContact O-N 3.22Å; I276-T278 VanDerWaalsContact C-N 3.32Å; I276-T278 PolarHBondContact O-N 3.44Å; T278-E281 PolarHBondContact O-N 3.31Å; T278-V282 PolarHBondContact O-N 2.92Å; T278-P373 HydrophobicContact CG2-CG 4.28Å; T278-V376 HydrophobicContact CG2-CG2 3.94Å; T278-Y479 HydrophobicContact CG2-CD1 3.64Å; T278-Y479 HydrophobicContact CG2-CE1 3.8Å; T278-Y479 WeakPolarHBondContact OG1-CD1 3.3Å |
| 279 | C | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 175.7 | -67 | 0 | 0 | 0 | 0 | 111.8 | A275 I276 V282 V283 V295 V376 | A275-C279 PolarHBondContact O-N 3.1Å; A275-C279 PolarHBondContact O-SG 3.26Å; I276-C279 PolarHBondContact O-N 2.98Å; I276-C279 VanDerWaalsContact O-N 3.13Å; C279-V282 PolarHBondContact O-N 2.89Å; C279-V283 WeakPolarHBondContact O-CB 3.37Å; C279-V283 VanDerWaalsContact O-CG2 3.25Å; C279-V283 WeakPolarHBondContact O-CG2 3.47Å; C279-V283 PolarHBondContact O-N 3.47Å; C279-V295 HydrophobicContact CB-CB 4.34Å; C279-V295 HydrophobicContact CB-CG2 3.94Å; C279-V376 HydrophobicContact CB-CG1 4.42Å |
| 280 | E | 97.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 23.9 Ų | 23.9 | 7% | 0.065 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 175.5 | -70 | -174.8 | 132.4 | 0 | 0 | 111.9 | Y260 I276 G277 V282 V283 D284 V295 K297 R476 | Y260-E280 HydrophobicContact CD1-CB 4.18Å; Y260-E280 HydrophobicContact CD1-CG 3.78Å; Y260-E280 HydrophobicContact CE1-CB 4Å; Y260-E280 HydrophobicContact CE1-CG 4.07Å; Y260-E280 HydrophobicContact CG-CG 4.2Å; I276-E280 HydrophobicContact CG2-CG 4.43Å; I276-E280 WeakPolarHBondContact O-CG 3.45Å; I276-E280 PolarHBondContact O-N 2.82Å; G277-E280 PolarHBondContact O-N 3.13Å; E280-V282 VanDerWaalsContact C-N 3.31Å; E280-V282 PolarHBondContact O-N 3.41Å; E280-V283 PolarHBondContact O-N 3.33Å; E280-D284 VanDerWaalsContact O-CG 3.29Å; E280-D284 PolarHBondContact O-N 2.92Å; E280-V295 HydrophobicContact CG-CG1 4.17Å; E280-K297 WeakPolarHBondContact OE1-CE 3.32Å; E280-K297 IonicContact OE1-NZ 2.74Å; E280-K297 PolarHBondContact OE1-NZ 3Å; E280-R476 WeakPolarHBondContact OE2-CD 3.33Å; E280-R476 IonicContact OE2-CZ 3.37Å; E280-R476 IonicContact OE2-NE 3.35Å; E280-R476 PolarHBondContact OE2-NE 2.91Å |
| 281 | E | 96.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 26.8 Ų | 26.8 | 15% | 0.145 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 177.1 | -72.6 | -179.9 | 179.9 | 0 | 0 | 112.1 | G277 T278 E285 L412 R476 S477 Y479 | G277-E281 PolarHBondContact O-N 3.48Å; G277-E281 VanDerWaalsContact O-N 3.15Å; T278-E281 PolarHBondContact O-N 3.31Å; E281-E285 PolarHBondContact O-N 3.43Å; E281-L412 HydrophobicContact CB-CD2 4.16Å; E281-R476 HydrophobicContact CG-CB 3.97Å; E281-R476 WeakPolarHBondContact OE1-CB 3.33Å; E281-S477 VanDerWaalsContact OE1-CA 3.26Å; E281-S477 WeakPolarHBondContact OE1-CA 3.28Å; E281-S477 WeakPolarHBondContact OE1-CB 3.34Å; E281-S477 PolarHBondContact OE1-N 3.13Å; E281-S477 PolarHBondContact OE1-OG 2.86Å; E281-S477 PolarHBondContact OE2-OG 3.34Å; E281-Y479 WeakPolarHBondContact OE2-CE1 3.4Å; E281-Y479 PolarHBondContact OE2-OH 2.79Å |
| 282 | V | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.5 | -39.7 | 177.4 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | T278 C279 E280 D284 E285 L286 P373 V376 L377 F380 L412 | T278-V282 PolarHBondContact O-N 2.92Å; C279-V282 PolarHBondContact O-N 2.89Å; E280-V282 VanDerWaalsContact C-N 3.31Å; E280-V282 PolarHBondContact O-N 3.41Å; V282-D284 VanDerWaalsContact C-N 3.34Å; V282-D284 PolarHBondContact O-N 2.58Å; V282-E285 PolarHBondContact O-N 2.76Å; V282-L286 HydrophobicContact CG1-CD1 3.9Å; V282-L286 HydrophobicContact CG1-CG 4.11Å; V282-L286 WeakPolarHBondContact O-CB 3.38Å; V282-L286 VanDerWaalsContact O-CG 3.27Å; V282-L286 WeakPolarHBondContact O-CG 3.37Å; V282-L286 PolarHBondContact O-N 3.4Å; V282-P373 HydrophobicContact CG2-CB 3.68Å; V282-V376 HydrophobicContact CB-CB 4.07Å; V282-V376 HydrophobicContact CB-CG1 3.86Å; V282-V376 HydrophobicContact CG1-CB 4.13Å; V282-V376 HydrophobicContact CG1-CG1 3.87Å; V282-V376 HydrophobicContact CG2-CB 3.87Å; V282-V376 HydrophobicContact CG2-CG1 4.22Å; V282-V376 HydrophobicContact CG2-CG2 4.23Å; V282-L377 HydrophobicContact CG1-CD2 3.75Å; V282-L377 HydrophobicContact CG1-CG 4.03Å; V282-F380 HydrophobicContact CG1-CD2 4.28Å; V282-F380 HydrophobicContact CG1-CE2 4.42Å; V282-L412 HydrophobicContact CG2-CD1 4.02Å; V282-L412 HydrophobicContact CG2-CD2 3.79Å |
| 283 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 174.6 | 165.5 | 0 | 0 | 0 | 0 | 110.1 | Y260 C279 E280 E285 L286 L287 V293 F380 | Y260-V283 HydrophobicContact CD1-CG1 4.13Å; Y260-V283 HydrophobicContact CE1-CG1 4.2Å; C279-V283 WeakPolarHBondContact O-CB 3.37Å; C279-V283 VanDerWaalsContact O-CG2 3.25Å; C279-V283 WeakPolarHBondContact O-CG2 3.47Å; C279-V283 PolarHBondContact O-N 3.47Å; E280-V283 PolarHBondContact O-N 3.33Å; V283-E285 VanDerWaalsContact C-N 3.32Å; V283-E285 PolarHBondContact O-N 3.42Å; V283-L286 PolarHBondContact O-N 2.77Å; V283-L287 HydrophobicContact CG1-CD1 3.86Å; V283-L287 HydrophobicContact CG1-CG 4.11Å; V283-L287 WeakPolarHBondContact O-CB 3.4Å; V283-L287 WeakPolarHBondContact O-CG 3.45Å; V283-L287 PolarHBondContact O-N 2.73Å; V283-V293 HydrophobicContact CG1-CG2 4.38Å; V283-V293 HydrophobicContact CG2-CG2 4.34Å; V283-F380 HydrophobicContact CG2-CE2 3.99Å; V283-F380 HydrophobicContact CG2-CZ 3.83Å |
| 284 | D | 96.4 | Very high | 97.3 | Very high | 55 Ų | 55 | 30.7 Ų | 30.7 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -54.3 | -48.3 | 177.9 | -73.8 | -23.1 | 0 | 0 | 0 | 111.4 | Y260 E280 V282 L287 T288 R476 | Y260-D284 VanDerWaalsContact CE1-OD1 3.25Å; Y260-D284 WeakPolarHBondContact CE1-OD1 3.44Å; Y260-D284 VanDerWaalsContact CZ-OD1 3.26Å; Y260-D284 VanDerWaalsContact OH-CG 3.23Å; Y260-D284 PolarHBondContact OH-OD1 3.36Å; Y260-D284 PolarHBondContact OH-OD2 3.32Å; E280-D284 VanDerWaalsContact O-CG 3.29Å; E280-D284 PolarHBondContact O-N 2.92Å; V282-D284 VanDerWaalsContact C-N 3.34Å; V282-D284 PolarHBondContact O-N 2.58Å; D284-L287 PolarHBondContact O-N 3.15Å; D284-T288 WeakPolarHBondContact O-CG2 3.5Å; D284-T288 PolarHBondContact O-N 2.87Å; D284-R476 IonicContact OD2-NH1 3.86Å; D284-R476 PolarHBondContact OD2-NH1 3.34Å |
| 285 | E | 95.8 | Very high | 97.3 | Very high | 35 Ų | 35 | 30.6 Ų | 30.6 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | 177.4 | 176.3 | 57.3 | -155.5 | 0 | 0 | 112.3 | E281 V282 V283 L287 T288 R289 L412 P413 | E281-E285 PolarHBondContact O-N 3.43Å; V282-E285 PolarHBondContact O-N 2.76Å; V283-E285 VanDerWaalsContact C-N 3.32Å; V283-E285 PolarHBondContact O-N 3.42Å; E285-L287 VanDerWaalsContact C-N 3.29Å; E285-L287 PolarHBondContact O-N 3.22Å; E285-T288 WeakPolarHBondContact O-CB 3.4Å; E285-T288 PolarHBondContact O-N 3.28Å; E285-T288 VanDerWaalsContact O-N 3.12Å; E285-T288 PolarHBondContact O-OG1 2.95Å; E285-R289 PolarHBondContact O-N 2.88Å; E285-R289 IonicContact OE1-CZ 3.16Å; E285-R289 VanDerWaalsContact OE1-CZ 3.23Å; E285-R289 IonicContact OE1-NE 3.23Å; E285-R289 PolarHBondContact OE1-NE 3.36Å; E285-R289 IonicContact OE1-NH2 2.87Å; E285-R289 PolarHBondContact OE1-NH2 3.01Å; E285-L412 HydrophobicContact CB-CG 4.08Å; E285-L412 HydrophobicContact CG-CD1 4.37Å; E285-L412 HydrophobicContact CG-CG 4.14Å; E285-P413 VanDerWaalsContact OE2-CD 3.26Å; E285-P413 WeakPolarHBondContact OE2-CD 3.3Å |
| 286 | L | 96.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -31.4 | 179.9 | -68.5 | -177.1 | 0 | 0 | 0 | 112.6 | V282 V283 T288 R289 G290 E291 V293 L377 F380 | V282-L286 HydrophobicContact CG1-CD1 3.9Å; V282-L286 HydrophobicContact CG1-CG 4.11Å; V282-L286 WeakPolarHBondContact O-CB 3.38Å; V282-L286 VanDerWaalsContact O-CG 3.27Å; V282-L286 WeakPolarHBondContact O-CG 3.37Å; V282-L286 PolarHBondContact O-N 3.4Å; V283-L286 PolarHBondContact O-N 2.77Å; L286-T288 VanDerWaalsContact C-N 3.32Å; L286-T288 PolarHBondContact O-N 3.3Å; L286-R289 CarbonylContact O-C 3.54Å; L286-R289 WeakPolarHBondContact O-CB 3.42Å; L286-R289 PolarHBondContact O-N 3.33Å; L286-R289 VanDerWaalsContact O-N 3.14Å; L286-G290 PolarHBondContact O-N 3.03Å; L286-E291 HydrophobicContact CB-CB 4.2Å; L286-E291 WeakPolarHBondContact O-CB 3.19Å; L286-E291 PolarHBondContact O-N 3.49Å; L286-V293 HydrophobicContact CB-CG2 3.68Å; L286-V293 HydrophobicContact CD1-CG1 4.35Å; L286-V293 HydrophobicContact CD1-CG2 4.08Å; L286-L377 HydrophobicContact CD1-CD2 4.47Å; L286-L377 HydrophobicContact CD2-CD2 3.99Å; L286-L377 HydrophobicContact CG-CD2 4.45Å; L286-F380 HydrophobicContact CD1-CB 4.28Å; L286-F380 HydrophobicContact CD1-CD2 3.58Å; L286-F380 HydrophobicContact CD1-CE2 4.08Å; L286-F380 HydrophobicContact CD1-CG 4.01Å |
| 287 | L | 97.2 | Very high | 97.3 | Very high | 56 Ų | 56 | 30.8 Ų | 30.8 | 29% | 0.293 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 173 | -69.9 | 173.8 | 0 | 0 | 0 | 111.6 | H262 V283 D284 E285 R289 G290 | H262-L287 HydrophobicContact CB-CD2 3.66Å; V283-L287 HydrophobicContact CG1-CD1 3.86Å; V283-L287 HydrophobicContact CG1-CG 4.11Å; V283-L287 WeakPolarHBondContact O-CB 3.4Å; V283-L287 WeakPolarHBondContact O-CG 3.45Å; V283-L287 PolarHBondContact O-N 2.73Å; D284-L287 PolarHBondContact O-N 3.15Å; E285-L287 VanDerWaalsContact C-N 3.29Å; E285-L287 PolarHBondContact O-N 3.22Å; L287-R289 PolarHBondContact O-N 3.06Å; L287-G290 PolarHBondContact O-N 3.31Å |
| 288 | T | 95.8 | Very high | 97.4 | Very high | 108 Ų | 108 | 30.3 Ų | 30.3 | 66% | 0.663 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -63.6 | -25.9 | 175 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | D284 E285 L286 G290 | D284-T288 WeakPolarHBondContact O-CG2 3.5Å; D284-T288 PolarHBondContact O-N 2.87Å; E285-T288 WeakPolarHBondContact O-CB 3.4Å; E285-T288 PolarHBondContact O-N 3.28Å; E285-T288 VanDerWaalsContact O-N 3.12Å; E285-T288 PolarHBondContact O-OG1 2.95Å; L286-T288 VanDerWaalsContact C-N 3.32Å; L286-T288 PolarHBondContact O-N 3.3Å; T288-G290 VanDerWaalsContact C-N 3.27Å |
| 289 | R | 94.3 | Very high | 97.4 | Very high | 114 Ų | 114 | 30.4 Ų | 30.4 | 43% | 0.43 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 2.5 | 175.5 | -56.3 | 175.7 | -170.1 | -175.1 | -0.6 | 113 | E285 L286 L287 E291 T411 | E285-R289 PolarHBondContact O-N 2.88Å; E285-R289 IonicContact OE1-CZ 3.16Å; E285-R289 VanDerWaalsContact OE1-CZ 3.23Å; E285-R289 IonicContact OE1-NE 3.23Å; E285-R289 PolarHBondContact OE1-NE 3.36Å; E285-R289 IonicContact OE1-NH2 2.87Å; E285-R289 PolarHBondContact OE1-NH2 3.01Å; L286-R289 CarbonylContact O-C 3.54Å; L286-R289 WeakPolarHBondContact O-CB 3.42Å; L286-R289 PolarHBondContact O-N 3.33Å; L286-R289 VanDerWaalsContact O-N 3.14Å; L287-R289 PolarHBondContact O-N 3.06Å; R289-E291 VanDerWaalsContact C-N 3.33Å; R289-T411 PolarHBondContact NH1-OG1 2.77Å; R289-T411 PolarHBondContact NH2-O 3.16Å; R289-T411 PolarHBondContact NH2-OG1 3.28Å |
| 290 | G | 95.8 | Very high | 97.5 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 66% | 0.66 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 13.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L286 L287 T288 | L286-G290 PolarHBondContact O-N 3.03Å; L287-G290 PolarHBondContact O-N 3.31Å; T288-G290 VanDerWaalsContact C-N 3.27Å |
| 291 | E | 97.4 | Very high | 97.5 | Very high | 61 Ų | 61 | 29.8 Ų | 29.8 | 29% | 0.285 | 16% | 0.161 | S | C | . | . | trans | -76.2 | 137.2 | 177.9 | -64.4 | -162 | -142.8 | 0 | 0 | 111.7 | R267 L286 R289 V293 | R267-E291 IonicContact CZ-OE2 2.76Å; R267-E291 IonicContact NH1-OE2 2.65Å; R267-E291 PolarHBondContact NH1-OE2 3.43Å; R267-E291 VanDerWaalsContact NH1-OE2 3.16Å; R267-E291 IonicContact NH2-OE2 3.36Å; R267-E291 PolarHBondContact NH2-OE2 3.23Å; L286-E291 HydrophobicContact CB-CB 4.2Å; L286-E291 WeakPolarHBondContact O-CB 3.19Å; L286-E291 PolarHBondContact O-N 3.49Å; R289-E291 VanDerWaalsContact C-N 3.33Å; E291-V293 HydrophobicContact CB-CG1 4.22Å; E291-V293 HydrophobicContact CB-CG2 4.47Å; E291-V293 PolarHBondContact O-N 2.91Å; E291-V293 VanDerWaalsContact O-N 3.11Å | ||
| 292 | K | 98.3 | Very high | 97.6 | Very high | 86 Ų | 86 | 30.4 Ų | 30.4 | 37% | 0.374 | 16% | 0.162 | S | C | . | . | trans | -87.5 | 72.2 | 177.9 | -65.5 | 178.4 | -176.6 | 177.6 | 0 | 111.5 | A265 E266 R267 | A265-K292 WeakPolarHBondContact CA-O 3.25Å; E266-K292 HydrophobicContact CB-CB 4.48Å; E266-K292 HydrophobicContact CG-CB 4.29Å; E266-K292 HydrophobicContact CG-CD 3.99Å; E266-K292 PolarHBondContact N-O 2.77Å; E266-K292 WeakPolarHBondContact OE1-CD 3.43Å; E266-K292 IonicContact OE1-NZ 2.74Å; E266-K292 PolarHBondContact OE1-NZ 3.19Å; R267-K292 PolarHBondContact N-O 2.91Å | ||
| 293 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 161.3 | -178.2 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | H262 R267 V283 L286 E291 F380 | H262-V293 PolarHBondContact N-O 2.82Å; R267-V293 HydrophobicContact CB-CG1 4.36Å; R267-V293 WeakPolarHBondContact O-CA 3.38Å; V283-V293 HydrophobicContact CG1-CG2 4.38Å; V283-V293 HydrophobicContact CG2-CG2 4.34Å; L286-V293 HydrophobicContact CB-CG2 3.68Å; L286-V293 HydrophobicContact CD1-CG1 4.35Å; L286-V293 HydrophobicContact CD1-CG2 4.08Å; E291-V293 HydrophobicContact CB-CG1 4.22Å; E291-V293 HydrophobicContact CB-CG2 4.47Å; E291-V293 PolarHBondContact O-N 2.91Å; E291-V293 VanDerWaalsContact O-N 3.11Å; V293-F380 HydrophobicContact CB-CD1 4.19Å; V293-F380 HydrophobicContact CB-CE1 3.65Å; V293-F380 HydrophobicContact CB-CZ 3.89Å; V293-F380 HydrophobicContact CG1-CD1 3.72Å; V293-F380 HydrophobicContact CG1-CE1 3.71Å; V293-F380 HydrophobicContact CG1-CG 4.35Å; V293-F380 HydrophobicContact CG1-CZ 4.32Å; V293-F380 HydrophobicContact CG2-CZ 4.48Å |
| 294 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y260 R267 V268 I269 | Y260-G294 CarbonylContact O-C 3.6Å; Y260-G294 VanDerWaalsContact O-CA 3.27Å; Y260-G294 WeakPolarHBondContact O-CA 3.35Å; R267-G294 PolarHBondContact O-N 2.98Å; R267-G294 VanDerWaalsContact O-N 3.13Å; V268-G294 VanDerWaalsContact CA-O 3.3Å; V268-G294 WeakPolarHBondContact CA-O 3.33Å; I269-G294 PolarHBondContact N-O 2.99Å |
| 295 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.2 | 177.1 | 63.4 | 0 | 0 | 0 | 0 | 109.5 | Y259 Y260 I269 L271 C279 E280 | Y259-V295 WeakPolarHBondContact CD2-O 3.14Å; Y260-V295 HydrophobicContact CD1-CG1 4.2Å; Y260-V295 PolarHBondContact N-O 3.4Å; Y260-V295 PolarHBondContact O-N 2.88Å; I269-V295 CarbonylContact O-C 3.55Å; I269-V295 VanDerWaalsContact O-CA 3.28Å; I269-V295 WeakPolarHBondContact O-CA 3.43Å; L271-V295 HydrophobicContact CD2-CG2 3.24Å; C279-V295 HydrophobicContact CB-CB 4.34Å; C279-V295 HydrophobicContact CB-CG2 3.94Å; E280-V295 HydrophobicContact CG-CG1 4.17Å |
| 296 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.4 | 171.1 | -166 | 157.3 | 0 | 0 | 0 | 108.6 | F257 V268 I269 I270 L271 V298 L309 A312 L313 | F257-L296 HydrophobicContact CB-CD2 4.34Å; F257-L296 HydrophobicContact CD1-CD2 3.95Å; V268-L296 HydrophobicContact CG1-CB 4.25Å; I269-L296 PolarHBondContact O-N 2.92Å; I270-L296 WeakPolarHBondContact CA-O 3.38Å; I270-L296 HydrophobicContact CD1-CB 4.45Å; I270-L296 HydrophobicContact CD1-CD1 4.47Å; I270-L296 HydrophobicContact CG1-CB 4Å; I270-L296 HydrophobicContact CG2-CB 4.45Å; I270-L296 HydrophobicContact CG2-CD2 4.14Å; L271-L296 PolarHBondContact N-O 3.45Å; L296-V298 HydrophobicContact CD2-CG2 3.95Å; L296-L309 HydrophobicContact CD1-CD1 3.81Å; L296-L309 HydrophobicContact CD2-CD1 3.6Å; L296-L309 HydrophobicContact CG-CD1 4.39Å; L296-A312 HydrophobicContact CD1-CB 4.14Å; L296-L313 HydrophobicContact CD1-CB 3.95Å; L296-L313 HydrophobicContact CD1-CD1 3.9Å |
| 297 | K | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 4% | 0.039 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119 | -179 | -48.3 | 174.2 | -168 | 173.2 | 0 | 108.6 | F257 E258 I276 E280 | F257-K297 WeakPolarHBondContact CA-O 3.17Å; E258-K297 HydrophobicContact CB-CB 4.26Å; E258-K297 HydrophobicContact CB-CD 4.2Å; E258-K297 HydrophobicContact CG-CD 4.37Å; E258-K297 PolarHBondContact N-O 3.3Å; E258-K297 WeakPolarHBondContact O-CB 3.41Å; E258-K297 PolarHBondContact O-N 3.13Å; E258-K297 IonicContact OE1-NZ 2.58Å; E258-K297 PolarHBondContact OE1-NZ 3.29Å; E258-K297 IonicContact OE2-NZ 3.66Å; I276-K297 HydrophobicContact CD1-CB 3.82Å; I276-K297 HydrophobicContact CD1-CG 4.15Å; I276-K297 HydrophobicContact CG1-CB 4.43Å; I276-K297 HydrophobicContact CG1-CG 4.3Å; I276-K297 HydrophobicContact CG2-CD 3.7Å; I276-K297 HydrophobicContact CG2-CG 3.7Å; E280-K297 WeakPolarHBondContact OE1-CE 3.32Å; E280-K297 IonicContact OE1-NZ 2.74Å; E280-K297 PolarHBondContact OE1-NZ 3Å |
| 298 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 110 | 172.6 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | F257 I270 L271 M272 L296 Y301 L336 | F257-V298 HydrophobicContact CD1-CB 4.38Å; F257-V298 HydrophobicContact CD1-CG1 4.31Å; F257-V298 HydrophobicContact CD1-CG2 3.95Å; F257-V298 HydrophobicContact CE1-CB 4.28Å; F257-V298 HydrophobicContact CE1-CG1 3.78Å; F257-V298 HydrophobicContact CE1-CG2 3.9Å; I270-V298 HydrophobicContact CG2-CG2 3.73Å; L271-V298 PolarHBondContact O-N 2.85Å; M272-V298 HydrophobicContact CG-CB 3.55Å; M272-V298 HydrophobicContact CG-CG1 3.87Å; M272-V298 HydrophobicContact SD-CB 4.25Å; M272-V298 HydrophobicContact SD-CG1 3.95Å; L296-V298 HydrophobicContact CD2-CG2 3.95Å; V298-Y301 HydrophobicContact CG1-CD2 4.45Å; V298-L336 HydrophobicContact CG1-CD1 4.43Å; V298-L336 HydrophobicContact CG2-CD1 4.23Å |
| 299 | R | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -94.8 | -55.6 | 176.1 | -48.8 | -53.1 | -167.7 | 154.9 | 12.4 | 109.8 | L137 C138 E144 F148 M243 Q255 P256 E258 Y301 | L137-R299 CarbonylContact C-O 3.35Å; L137-R299 WeakPolarHBondContact CA-O 2.86Å; L137-R299 HydrophobicContact CD1-CB 4.17Å; C138-R299 PolarHBondContact N-O 2.94Å; E144-R299 VanDerWaalsContact CD-NH1 3.33Å; E144-R299 VanDerWaalsContact CD-NH2 3.32Å; E144-R299 IonicContact OE1-CZ 2.8Å; E144-R299 IonicContact OE1-NH1 2.93Å; E144-R299 PolarHBondContact OE1-NH1 2.89Å; E144-R299 IonicContact OE1-NH2 3.35Å; E144-R299 PolarHBondContact OE1-NH2 3.45Å; E144-R299 IonicContact OE2-CZ 2.85Å; E144-R299 VanDerWaalsContact OE2-CZ 3.27Å; E144-R299 IonicContact OE2-NH1 3.08Å; E144-R299 PolarHBondContact OE2-NH1 3.09Å; E144-R299 IonicContact OE2-NH2 3.16Å; E144-R299 PolarHBondContact OE2-NH2 3.13Å; F148-R299 HydrophobicContact CE2-CB 4.17Å; F148-R299 HydrophobicContact CE2-CG 4.29Å; F148-R299 HydrophobicContact CZ-CB 4.44Å; F148-R299 HydrophobicContact CZ-CG 4.27Å; M243-R299 HydrophobicContact CE-CB 4.36Å; Q255-R299 VanDerWaalsContact O-CG 3.24Å; Q255-R299 WeakPolarHBondContact O-CG 3.25Å; P256-R299 WeakPolarHBondContact O-CA 3.45Å; P256-R299 WeakPolarHBondContact O-CB 3.35Å; P256-R299 PolarHBondContact O-N 2.88Å; E258-R299 IonicContact OE2-NH2 3.93Å; R299-Y301 PolarHBondContact O-N 2.65Å |
| 300 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 97.5 | 175.4 | -173.1 | 67.1 | 0 | 0 | 0 | 109.6 | L137 F163 Y236 V239 P256 R302 | L137-L300 HydrophobicContact CD1-CB 4.37Å; L137-L300 HydrophobicContact CD1-CD1 4.41Å; F163-L300 HydrophobicContact CE1-CD1 4.14Å; Y236-L300 HydrophobicContact CD2-CD2 4.17Å; V239-L300 HydrophobicContact CB-CD2 4.18Å; V239-L300 HydrophobicContact CG1-CD2 4.37Å; V239-L300 HydrophobicContact CG2-CD1 4.04Å; V239-L300 HydrophobicContact CG2-CD2 4.04Å; P256-L300 HydrophobicContact CB-CB 3.79Å; P256-L300 HydrophobicContact CB-CD2 4.31Å; P256-L300 PolarHBondContact O-N 2.79Å; P256-L300 VanDerWaalsContact O-N 3.1Å; L300-R302 WeakPolarHBondContact CD1-O 3.34Å |
| 301 | Y | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -35.6 | 179.1 | 177.3 | -120.6 | 0 | 0 | 0 | 112.8 | M127 R130 M136 M272 V298 R299 F304 P335 L336 D339 | M127-Y301 HydrophobicContact CE-CD1 3.84Å; M127-Y301 HydrophobicContact CE-CE1 3.66Å; M127-Y301 HydrophobicContact SD-CD1 4.39Å; M127-Y301 HydrophobicContact SD-CE1 3.59Å; M127-Y301 VanDerWaalsContact SD-CE1 3.59Å; R130-Y301 HydrophobicContact CB-CE1 4.22Å; M136-Y301 HydrophobicContact CB-CD1 4.4Å; M136-Y301 HydrophobicContact CE-CD1 4.06Å; M136-Y301 PolarHBondContact O-N 2.92Å; M136-Y301 HydrophobicContact SD-CD1 3.8Å; M136-Y301 HydrophobicContact SD-CE1 4.25Å; M272-Y301 VanDerWaalsContact CE-CB 3.45Å; M272-Y301 HydrophobicContact CE-CD1 4.18Å; M272-Y301 HydrophobicContact CE-CD2 3.99Å; M272-Y301 HydrophobicContact CE-CG 3.61Å; M272-Y301 HydrophobicContact SD-CD2 3.59Å; M272-Y301 VanDerWaalsContact SD-CD2 3.59Å; M272-Y301 HydrophobicContact SD-CE2 4.27Å; M272-Y301 HydrophobicContact SD-CG 3.88Å; V298-Y301 HydrophobicContact CG1-CD2 4.45Å; R299-Y301 PolarHBondContact O-N 2.65Å; Y301-F304 HydrophobicContact CD2-CD2 4.12Å; Y301-F304 HydrophobicContact CD2-CE2 4.49Å; Y301-F304 HydrophobicContact CE2-CD2 4.3Å; Y301-F304 WeakPolarHBondContact O-CB 3.4Å; Y301-P335 VanDerWaalsContact OH-CB 3.26Å; Y301-P335 WeakPolarHBondContact OH-CB 3.44Å; Y301-L336 HydrophobicContact CD2-CD1 4.01Å; Y301-L336 HydrophobicContact CE2-CB 4.44Å; Y301-L336 HydrophobicContact CE2-CD1 3.89Å; Y301-D339 WeakPolarHBondContact CE2-OD2 3.13Å; Y301-D339 PolarHBondContact OH-OD2 2.69Å |
| 302 | R | 98.8 | Very high | 98.1 | Very high | 44 Ų | 44 | 28.4 Ų | 28.4 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.5 | 174.1 | -71.6 | -65.3 | -177.7 | -94.1 | 10.9 | 110.6 | A135 M136 L300 D339 | A135-R302 CarbonylContact C-O 3.5Å; A135-R302 WeakPolarHBondContact CA-O 3.3Å; A135-R302 WeakPolarHBondContact CB-O 3.15Å; M136-R302 HydrophobicContact CB-CB 4Å; M136-R302 HydrophobicContact CG-CB 3.99Å; M136-R302 HydrophobicContact CG-CG 4.34Å; M136-R302 PolarHBondContact N-O 3.37Å; M136-R302 PolarHBondContact O-N 3.32Å; M136-R302 HydrophobicContact SD-CB 4.18Å; M136-R302 HydrophobicContact SD-CG 3.85Å; L300-R302 WeakPolarHBondContact CD1-O 3.34Å; R302-D339 IonicContact CZ-OD1 2.9Å; R302-D339 IonicContact CZ-OD2 2.81Å; R302-D339 VanDerWaalsContact CZ-OD2 3.22Å; R302-D339 IonicContact NH1-OD1 3.44Å; R302-D339 IonicContact NH1-OD2 3.82Å; R302-D339 PolarHBondContact NH1-OD2 3.13Å; R302-D339 IonicContact NH2-OD1 2.79Å; R302-D339 PolarHBondContact NH2-OD1 3.19Å; R302-D339 IonicContact NH2-OD2 3.92Å; R302-D339 PolarHBondContact NH2-OD2 2.88Å |
| 303 | P | 98.6 | Very high | 98 | Very high | 33 Ų | 33 | 24.6 Ų | 24.6 | 21% | 0.214 | 13% | 0.126 | C | C | . | . | S | Bend | cis | -62.1 | 139.3 | -11.3 | -23.1 | 36.8 | 0 | 0 | 0 | 112.3 | Y232 V235 S305 | Y232-P303 HydrophobicContact CD1-CG 4.15Å; V235-P303 HydrophobicContact CB-CG 3.88Å; V235-P303 HydrophobicContact CG1-CG 4.18Å; V235-P303 HydrophobicContact CG2-CG 4.1Å; P303-S305 PolarHBondContact O-N 3.27Å |
| 304 | F | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 25.4 Ų | 25.4 | 18% | 0.175 | 13% | 0.132 | C | C | . | . | trans | -83.4 | 112.4 | -178.9 | -165.8 | -89.9 | 0 | 0 | 0 | 109.8 | F257 Y301 L309 L336 D339 V340 A343 | F257-F304 HydrophobicContact CE1-CE2 4.08Å; F257-F304 HydrophobicContact CE1-CZ 4.37Å; F257-F304 HydrophobicContact CZ-CD2 4.25Å; F257-F304 HydrophobicContact CZ-CE2 4.2Å; F257-F304 HydrophobicContact CZ-CZ 4.49Å; Y301-F304 HydrophobicContact CD2-CD2 4.12Å; Y301-F304 HydrophobicContact CD2-CE2 4.49Å; Y301-F304 HydrophobicContact CE2-CD2 4.3Å; Y301-F304 WeakPolarHBondContact O-CB 3.4Å; F304-L309 HydrophobicContact CE1-CD2 3.91Å; F304-L309 HydrophobicContact CZ-CD2 3.82Å; F304-L336 HydrophobicContact CE2-CD1 3.93Å; F304-D339 HydrophobicContact CD1-CB 4.06Å; F304-D339 HydrophobicContact CD2-CB 3.98Å; F304-D339 HydrophobicContact CE1-CB 3.92Å; F304-D339 HydrophobicContact CE2-CB 3.85Å; F304-D339 HydrophobicContact CG-CB 4.07Å; F304-D339 HydrophobicContact CZ-CB 3.81Å; F304-V340 HydrophobicContact CZ-CG2 4.09Å; F304-A343 HydrophobicContact CE1-CB 4.25Å | ||
| 305 | S | 97.6 | Very high | 97.6 | Very high | 25 Ų | 25 | 28.2 Ų | 28.2 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | trans | -97.7 | 96.6 | -177.6 | -165.1 | 0 | 0 | 0 | 0 | 111.9 | P303 K307 H308 L309 | P303-S305 PolarHBondContact O-N 3.27Å; S305-K307 VanDerWaalsContact C-N 3.28Å; S305-K307 PolarHBondContact O-N 3.27Å; S305-H308 WeakPolarHBondContact CB-ND1 3.2Å; S305-H308 PolarHBondContact O-N 2.93Å; S305-H308 VanDerWaalsContact O-N 3.14Å; S305-H308 PolarHBondContact OG-ND1 3.02Å; S305-L309 PolarHBondContact O-N 2.86Å | ||
| 306 | A | 96.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.6 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H308 L309 L310 A343 | A306-H308 VanDerWaalsContact C-N 3.35Å; A306-H308 PolarHBondContact O-N 2.74Å; A306-L309 PolarHBondContact O-N 3.01Å; A306-L310 WeakPolarHBondContact O-CB 3.47Å; A306-L310 WeakPolarHBondContact O-CD1 3.26Å; A306-L310 WeakPolarHBondContact O-CG 3.48Å; A306-L310 PolarHBondContact O-N 3.49Å; A306-A343 HydrophobicContact CB-CB 3.65Å |
| 307 | K | 96.6 | Very high | 97.4 | Very high | 124 Ų | 124 | 29.2 Ų | 29.2 | 54% | 0.539 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -50.2 | -52.5 | 175.3 | 177.1 | -169.4 | 169 | -156.5 | 0 | 112 | S305 L310 Q311 | S305-K307 VanDerWaalsContact C-N 3.28Å; S305-K307 PolarHBondContact O-N 3.27Å; K307-L310 PolarHBondContact O-N 3.28Å; K307-Q311 VanDerWaalsContact O-CG 3.32Å; K307-Q311 WeakPolarHBondContact O-CG 3.27Å; K307-Q311 PolarHBondContact O-N 3.12Å; K307-Q311 VanDerWaalsContact O-N 3.08Å |
| 308 | H | 97.6 | Very high | 97.3 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -77.7 | -31.4 | -174.1 | -60.4 | 107.6 | 0 | 0 | 0 | 112.6 | Y236 F257 S305 A306 L310 Q311 A312 | Y236-H308 AromaticContact CD1-CE1 3.29Å; Y236-H308 WeakPolarHBondContact CD1-CE1 3.45Å; Y236-H308 AromaticContact CD1-CG 3.95Å; Y236-H308 AromaticContact CD1-ND1 3.47Å; Y236-H308 WeakPolarHBondContact CD1-ND1 3.32Å; Y236-H308 AromaticContact CD1-NE2 3.76Å; Y236-H308 HydrophobicContact CD2-CB 4.21Å; Y236-H308 AromaticContact CD2-CG 3.97Å; Y236-H308 AromaticContact CD2-ND1 3.51Å; Y236-H308 HydrophobicContact CE1-CB 4.18Å; Y236-H308 AromaticContact CE1-CD2 3.42Å; Y236-H308 VanDerWaalsContact CE1-CD2 3.42Å; Y236-H308 WeakPolarHBondContact CE1-CD2 3.4Å; Y236-H308 AromaticContact CE1-CE1 3.48Å; Y236-H308 VanDerWaalsContact CE1-CE1 3.48Å; Y236-H308 WeakPolarHBondContact CE1-CE1 3.48Å; Y236-H308 AromaticContact CE1-CG 3.45Å; Y236-H308 VanDerWaalsContact CE1-CG 3.45Å; Y236-H308 AromaticContact CE1-ND1 3.49Å; Y236-H308 WeakPolarHBondContact CE1-ND1 3.44Å; Y236-H308 AromaticContact CE1-NE2 3.53Å; Y236-H308 HydrophobicContact CE2-CB 3.35Å; Y236-H308 AromaticContact CE2-CG 3.42Å; Y236-H308 VanDerWaalsContact CE2-CG 3.42Å; Y236-H308 AromaticContact CE2-ND1 3.48Å; Y236-H308 WeakPolarHBondContact CE2-ND1 3.18Å; Y236-H308 AromaticContact CG-CE1 3.7Å; Y236-H308 AromaticContact CG-ND1 3.51Å; Y236-H308 AromaticContact CZ-CD2 3.52Å; Y236-H308 AromaticContact CZ-CE1 3.99Å; Y236-H308 AromaticContact CZ-CG 3.17Å; Y236-H308 AromaticContact CZ-ND1 3.51Å; Y236-H308 WeakPolarHBondContact OH-CB 3.37Å; F257-H308 HydrophobicContact CD2-CB 3.99Å; F257-H308 HydrophobicContact CE2-CB 4.41Å; S305-H308 WeakPolarHBondContact CB-ND1 3.2Å; S305-H308 PolarHBondContact O-N 2.93Å; S305-H308 VanDerWaalsContact O-N 3.14Å; S305-H308 PolarHBondContact OG-ND1 3.02Å; A306-H308 VanDerWaalsContact C-N 3.35Å; A306-H308 PolarHBondContact O-N 2.74Å; H308-L310 VanDerWaalsContact C-N 3.34Å; H308-L310 PolarHBondContact O-N 3.07Å; H308-Q311 PolarHBondContact CD2-OE1 3.23Å; H308-Q311 PolarHBondContact O-N 3.2Å; H308-A312 PolarHBondContact O-N 3.34Å; H308-A312 VanDerWaalsContact O-N 3.07Å |
| 309 | L | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56 | -49.7 | 167.4 | 176 | 76.8 | 0 | 0 | 0 | 111 | F257 I270 L296 F304 S305 A306 Q311 A312 L313 V340 A343 | F257-L309 HydrophobicContact CD1-CB 4.34Å; F257-L309 HydrophobicContact CD1-CD1 3.82Å; F257-L309 HydrophobicContact CE1-CB 4.26Å; F257-L309 HydrophobicContact CE1-CD1 3.96Å; F257-L309 HydrophobicContact CG-CB 4.5Å; F257-L309 HydrophobicContact CZ-CB 4.37Å; I270-L309 HydrophobicContact CD1-CD1 4.48Å; L296-L309 HydrophobicContact CD1-CD1 3.81Å; L296-L309 HydrophobicContact CD2-CD1 3.6Å; L296-L309 HydrophobicContact CG-CD1 4.39Å; F304-L309 HydrophobicContact CE1-CD2 3.91Å; F304-L309 HydrophobicContact CZ-CD2 3.82Å; S305-L309 PolarHBondContact O-N 2.86Å; A306-L309 PolarHBondContact O-N 3.01Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 2.85Å; L309-A312 PolarHBondContact O-N 3.22Å; L309-L313 WeakPolarHBondContact O-CB 3.39Å; L309-L313 PolarHBondContact O-N 2.76Å; L309-V340 HydrophobicContact CD2-CG2 4.38Å; L309-A343 HydrophobicContact CD2-CB 3.86Å |
| 310 | L | 96.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 34.7 Ų | 34.7 | 13% | 0.131 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -34.6 | -177.7 | -66.6 | 162.3 | 0 | 0 | 0 | 112.1 | A306 K307 H308 L313 L344 A347 | A306-L310 WeakPolarHBondContact O-CB 3.47Å; A306-L310 WeakPolarHBondContact O-CD1 3.26Å; A306-L310 WeakPolarHBondContact O-CG 3.48Å; A306-L310 PolarHBondContact O-N 3.49Å; K307-L310 PolarHBondContact O-N 3.28Å; H308-L310 VanDerWaalsContact C-N 3.34Å; H308-L310 PolarHBondContact O-N 3.07Å; L310-L313 PolarHBondContact O-N 2.91Å; L310-L344 HydrophobicContact CD2-CD2 3.99Å; L310-A347 HydrophobicContact CD1-CB 3.58Å; L310-A347 HydrophobicContact CD2-CB 3.77Å; L310-A347 HydrophobicContact CG-CB 4.35Å |
| 311 | Q | 96.7 | Very high | 97.3 | Very high | 132 Ų | 132 | 34.7 Ų | 34.7 | 62% | 0.617 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -66.4 | -37.5 | 174.2 | -74.8 | 174.4 | -16 | 0 | 0 | 112.5 | K307 H308 L309 | K307-Q311 VanDerWaalsContact O-CG 3.32Å; K307-Q311 WeakPolarHBondContact O-CG 3.27Å; K307-Q311 PolarHBondContact O-N 3.12Å; K307-Q311 VanDerWaalsContact O-N 3.08Å; H308-Q311 PolarHBondContact CD2-OE1 3.23Å; H308-Q311 PolarHBondContact O-N 3.2Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-Q311 PolarHBondContact O-N 2.85Å |
| 312 | A | 97.3 | Very high | 97.3 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.7 | -27.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F257 Y259 L296 H308 L309 | F257-A312 HydrophobicContact CB-CB 4.08Å; Y259-A312 VanDerWaalsContact CB-O 3.3Å; Y259-A312 WeakPolarHBondContact CB-O 3.44Å; L296-A312 HydrophobicContact CD1-CB 4.14Å; H308-A312 PolarHBondContact O-N 3.34Å; H308-A312 VanDerWaalsContact O-N 3.07Å; L309-A312 PolarHBondContact O-N 3.22Å |
| 313 | L | 96.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -83.2 | 122.4 | -175.9 | -170.3 | 71.1 | 0 | 0 | 0 | 112.3 | V268 I270 L296 L309 L310 V317 L344 | V268-L313 HydrophobicContact CB-CD1 4.29Å; V268-L313 HydrophobicContact CG1-CD1 3.92Å; V268-L313 HydrophobicContact CG2-CD1 4.39Å; I270-L313 HydrophobicContact CD1-CD1 4.4Å; L296-L313 HydrophobicContact CD1-CB 3.95Å; L296-L313 HydrophobicContact CD1-CD1 3.9Å; L309-L313 WeakPolarHBondContact O-CB 3.39Å; L309-L313 PolarHBondContact O-N 2.76Å; L310-L313 PolarHBondContact O-N 2.91Å; L313-V317 HydrophobicContact CD1-CG1 4.49Å; L313-V317 HydrophobicContact CD1-CG2 3.97Å; L313-V317 HydrophobicContact CG-CB 4.43Å; L313-V317 HydrophobicContact CG-CG2 4.09Å; L313-L344 HydrophobicContact CD2-CD2 3.91Å |
| 314 | P | 95.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 31.4 Ų | 31.4 | 12% | 0.117 | 17% | 0.174 | C | C | . | . | trans | -56.2 | 142.8 | 179.8 | -23.9 | 31.9 | 0 | 0 | 0 | 113.8 | Y259 S316 V317 R353 | Y259-P314 HydrophobicContact CD1-CG 4.18Å; Y259-P314 HydrophobicContact CD2-CG 4.2Å; Y259-P314 HydrophobicContact CE1-CG 3.76Å; Y259-P314 HydrophobicContact CE2-CG 3.78Å; Y259-P314 HydrophobicContact CG-CG 4.38Å; P314-S316 PolarHBondContact O-N 3.22Å; P314-V317 HydrophobicContact CB-CG2 4.06Å; P314-V317 HydrophobicContact CG-CG2 4.34Å; P314-V317 WeakPolarHBondContact O-CB 3.45Å; P314-V317 VanDerWaalsContact O-CG2 3.27Å; P314-V317 WeakPolarHBondContact O-CG2 3.36Å; P314-V317 PolarHBondContact O-N 3.45Å; P314-R353 PolarHBondContact O-NH2 3.36Å | ||
| 315 | G | 93.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 29.9 Ų | 29.9 | 61% | 0.608 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | V317 R318 | G315-V317 VanDerWaalsContact C-N 3.29Å; G315-V317 PolarHBondContact O-N 3.33Å; G315-R318 PolarHBondContact O-NH1 2.91Å |
| 316 | S | 95.9 | Very high | 97.4 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.7 | 177.1 | 31.6 | 0 | 0 | 0 | 0 | 114.2 | Q264 A265 P314 R318 | Q264-S316 VanDerWaalsContact C-OG 3.27Å; Q264-S316 WeakPolarHBondContact CA-OG 3.41Å; Q264-S316 PolarHBondContact OE1-OG 3.29Å; A265-S316 CarbonylContact O-C 3.57Å; A265-S316 PolarHBondContact O-OG 3.02Å; P314-S316 PolarHBondContact O-N 3.22Å; S316-R318 PolarHBondContact O-N 2.92Å; S316-R318 PolarHBondContact O-NH1 3.43Å |
| 317 | V | 97.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -60.9 | 130.9 | 179.3 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | A265 V268 L313 P314 G315 V320 P357 | A265-V317 WeakPolarHBondContact O-CA 3.48Å; A265-V317 PolarHBondContact O-N 3.08Å; V268-V317 HydrophobicContact CB-CG1 4.39Å; V268-V317 HydrophobicContact CB-CG2 4.36Å; V268-V317 HydrophobicContact CG2-CG1 4.33Å; V268-V317 HydrophobicContact CG2-CG2 3.52Å; L313-V317 HydrophobicContact CD1-CG1 4.49Å; L313-V317 HydrophobicContact CD1-CG2 3.97Å; L313-V317 HydrophobicContact CG-CB 4.43Å; L313-V317 HydrophobicContact CG-CG2 4.09Å; P314-V317 HydrophobicContact CB-CG2 4.06Å; P314-V317 HydrophobicContact CG-CG2 4.34Å; P314-V317 WeakPolarHBondContact O-CB 3.45Å; P314-V317 VanDerWaalsContact O-CG2 3.27Å; P314-V317 WeakPolarHBondContact O-CG2 3.36Å; P314-V317 PolarHBondContact O-N 3.45Å; G315-V317 VanDerWaalsContact C-N 3.29Å; G315-V317 PolarHBondContact O-N 3.33Å; V317-V320 HydrophobicContact CG1-CG2 3.5Å; V317-P357 HydrophobicContact CG1-CB 4.43Å; V317-P357 HydrophobicContact CG1-CG 4.49Å | ||
| 318 | R | 96.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 28.8 Ų | 28.8 | 43% | 0.43 | 16% | 0.155 | S | C | . | . | trans | -122 | -24.5 | 178.6 | -63.6 | -61.9 | 176.6 | -100.9 | 5.7 | 112.8 | E266 G315 S316 P357 R358 | E266-R318 PolarHBondContact O-N 3.1Å; G315-R318 PolarHBondContact O-NH1 2.91Å; S316-R318 PolarHBondContact O-N 2.92Å; S316-R318 PolarHBondContact O-NH1 3.43Å; R318-P357 WeakPolarHBondContact O-CA 3.44Å; R318-R358 PolarHBondContact O-N 3.47Å | ||
| 319 | S | 98.1 | Very high | 97.6 | Very high | 12 Ų | 12 | 33 Ų | 33 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.3 | 174 | -64 | 0 | 0 | 0 | 0 | 111.2 | E266 R267 V268 R358 | E266-S319 PolarHBondContact O-N 2.77Å; R267-S319 WeakPolarHBondContact CA-O 3.35Å; V268-S319 PolarHBondContact N-O 3.44Å; S319-R358 CarbonylContact C-O 3.59Å; S319-R358 WeakPolarHBondContact CA-O 3.23Å; S319-R358 PolarHBondContact OG-NE 3.43Å |
| 320 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.2 | -178.6 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | V268 I270 V317 V322 P357 R358 V359 I360 L383 | V268-V320 CarbonylContact O-C 3.57Å; V268-V320 VanDerWaalsContact O-CA 3.27Å; V268-V320 WeakPolarHBondContact O-CA 3.4Å; I270-V320 HydrophobicContact CD1-CG1 3.71Å; I270-V320 HydrophobicContact CG1-CG1 3.75Å; V317-V320 HydrophobicContact CG1-CG2 3.5Å; V320-V322 HydrophobicContact CG1-CG2 3.97Å; V320-P357 HydrophobicContact CG2-CB 4.1Å; V320-R358 PolarHBondContact N-O 2.94Å; V320-V359 HydrophobicContact CB-CG1 4.39Å; V320-V359 HydrophobicContact CB-CG2 4.45Å; V320-V359 HydrophobicContact CG1-CG1 4.37Å; V320-V359 CarbonylContact O-C 3.57Å; V320-V359 WeakPolarHBondContact O-CA 3.3Å; V320-I360 PolarHBondContact O-N 3.06Å; V320-L383 VanDerWaalsContact C-CD2 3.48Å |
| 321 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V268 I269 I270 I360 V379 L383 | V268-A321 PolarHBondContact O-N 3.08Å; I269-A321 CarbonylContact C-O 3.6Å; I269-A321 VanDerWaalsContact CA-O 3.31Å; I269-A321 WeakPolarHBondContact CA-O 3.46Å; I269-A321 HydrophobicContact CG1-CB 4.44Å; I270-A321 PolarHBondContact N-O 3.48Å; A321-I360 WeakPolarHBondContact CA-O 3.39Å; A321-I360 HydrophobicContact CB-CD1 4.18Å; A321-I360 HydrophobicContact CB-CG1 3.84Å; A321-V379 HydrophobicContact CB-CG1 3.55Å; A321-L383 HydrophobicContact CB-CD1 3.77Å; A321-L383 HydrophobicContact CB-CD2 3.89Å; A321-L383 HydrophobicContact CB-CG 3.93Å |
| 322 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.3 | 173.1 | -169.2 | 0 | 0 | 0 | 0 | 108.3 | I270 V320 L336 Y337 V340 V359 I360 G361 G362 | I270-V322 HydrophobicContact CB-CG2 4.48Å; I270-V322 WeakPolarHBondContact O-CA 3.48Å; V320-V322 HydrophobicContact CG1-CG2 3.97Å; V322-L336 HydrophobicContact CG1-CB 4.08Å; V322-L336 HydrophobicContact CG1-CD2 3.85Å; V322-L336 HydrophobicContact CG1-CG 3.6Å; V322-Y337 HydrophobicContact CB-CD2 4.13Å; V322-Y337 HydrophobicContact CG2-CD2 4.3Å; V322-V340 HydrophobicContact CG1-CG2 4.19Å; V322-V340 HydrophobicContact CG2-CB 3.87Å; V322-V340 HydrophobicContact CG2-CG1 3.62Å; V322-V340 HydrophobicContact CG2-CG2 4.19Å; V322-V359 HydrophobicContact CG2-CG1 3.81Å; V322-I360 PolarHBondContact N-O 2.89Å; V322-G361 WeakPolarHBondContact O-CA 3.29Å; V322-G362 PolarHBondContact O-N 3.49Å |
| 323 | L | 99 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.1 | -177.5 | -59 | -177.8 | 0 | 0 | 0 | 110.4 | I269 I270 L271 G362 Y364 F371 V379 F392 | I269-L323 HydrophobicContact CG2-CD1 3.6Å; I269-L323 HydrophobicContact CG2-CG 3.89Å; I270-L323 PolarHBondContact O-N 3.43Å; L271-L323 HydrophobicContact CB-CB 3.96Å; L271-L323 HydrophobicContact CD1-CD1 4.32Å; L323-G362 WeakPolarHBondContact CA-O 3.49Å; L323-Y364 HydrophobicContact CB-CD1 3.71Å; L323-Y364 HydrophobicContact CB-CE1 3.71Å; L323-F371 HydrophobicContact CD1-CE2 4.29Å; L323-F371 HydrophobicContact CD1-CZ 3.87Å; L323-V379 HydrophobicContact CD2-CG1 4.44Å; L323-V379 HydrophobicContact CD2-CG2 4.25Å; L323-F392 HydrophobicContact CD2-CE2 3.92Å; L323-F392 HydrophobicContact CD2-CZ 3.63Å |
| 324 | D | 98.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.3 | 177.3 | -84.4 | -89.9 | 0 | 0 | 0 | 110.1 | T326 E334 L336 Y337 G362 R363 Y364 | D324-T326 HydrophobicContact CB-CG2 4.32Å; D324-T326 PolarHBondContact O-N 3.05Å; D324-E334 HydrophobicContact CB-CB 3.34Å; D324-E334 HydrophobicContact CB-CG 3.82Å; D324-E334 WeakPolarHBondContact OD2-CB 3.42Å; D324-L336 VanDerWaalsContact OD1-CB 3.25Å; D324-L336 WeakPolarHBondContact OD1-CB 3.48Å; D324-L336 PolarHBondContact OD1-N 3.36Å; D324-Y337 PolarHBondContact OD2-N 3.06Å; D324-G362 PolarHBondContact N-O 2.73Å; D324-R363 WeakPolarHBondContact O-CA 3.35Å; D324-Y364 WeakPolarHBondContact O-CD1 3.17Å; D324-Y364 PolarHBondContact O-N 3.06Å |
| 325 | R | 98.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -89.7 | 42.2 | 175.3 | -152 | -179.5 | 177 | 135.5 | 10.5 | 111 | G121 D122 H123 D168 S274 Y364 G365 | G121-R325 PolarHBondContact O-NE 2.93Å; D122-R325 HydrophobicContact CB-CG 4.07Å; D122-R325 WeakPolarHBondContact CB-O 3.46Å; H123-R325 HydrophobicContact CB-CB 4.26Å; H123-R325 PolarHBondContact N-O 3.47Å; D168-R325 IonicContact OD2-CZ 2.6Å; D168-R325 IonicContact OD2-NH1 3.51Å; D168-R325 PolarHBondContact OD2-NH1 3Å; S274-R325 PolarHBondContact OG-NH1 3.19Å; R325-Y364 HydrophobicContact CB-CD1 4.44Å; R325-Y364 HydrophobicContact CB-CE1 3.8Å; R325-Y364 HydrophobicContact CB-CE2 4.42Å; R325-Y364 HydrophobicContact CG-CE1 4.26Å; R325-Y364 HydrophobicContact CG-CE2 4.06Å; R325-Y364 WeakPolarHBondContact CG-O 3.37Å; R325-G365 PolarHBondContact NE-O 3.33Å; R325-G365 PolarHBondContact NH2-O 3.19Å |
| 326 | T | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -152.4 | 173.8 | -179.4 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | S124 M127 D324 E334 P335 R363 | S124-T326 WeakPolarHBondContact CA-OG1 3.23Å; M127-T326 HydrophobicContact CB-CG2 4.46Å; M127-T326 HydrophobicContact CG-CG2 3.98Å; D324-T326 HydrophobicContact CB-CG2 4.32Å; D324-T326 PolarHBondContact O-N 3.05Å; T326-E334 HydrophobicContact CG2-CB 4.45Å; T326-E334 HydrophobicContact CG2-CG 4.34Å; T326-P335 HydrophobicContact CG2-CG 4.33Å; T326-R363 WeakPolarHBondContact O-CD 3.49Å; T326-R363 WeakPolarHBondContact O-CG 3.42Å |
| 327 | K | 98.7 | Very high | 98.2 | Very high | 105 Ų | 105 | 35 Ų | 35 | 46% | 0.457 | 20% | 0.199 | S | C | . | . | trans | -138.3 | 126.3 | 169.1 | 176.8 | 178.3 | 173.9 | 63.5 | 0 | 108.8 | P329 L366 | K327-P329 HydrophobicContact CG-CG 4.34Å; K327-P329 WeakPolarHBondContact O-CD 3.44Å; K327-L366 HydrophobicContact CB-CD2 3.79Å | ||
| 328 | E | 98.5 | Very high | 98.3 | Very high | 48 Ų | 48 | 37.7 Ų | 37.7 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | trans | -108.2 | 95.2 | 169 | -66 | -166.6 | 161.1 | 0 | 0 | 108.9 | R130 G330 A331 P335 | R130-E328 IonicContact CZ-OE1 3.41Å; R130-E328 VanDerWaalsContact CZ-OE1 3.24Å; R130-E328 IonicContact NH1-OE1 2.75Å; R130-E328 PolarHBondContact NH1-OE1 3.38Å; R130-E328 IonicContact NH2-OE1 3.7Å; R130-E328 PolarHBondContact NH2-OE1 3.03Å; R130-E328 IonicContact NH2-OE2 2.77Å; R130-E328 PolarHBondContact NH2-OE2 3.23Å; E328-G330 PolarHBondContact O-N 3.05Å; E328-A331 HydrophobicContact CB-CB 3.61Å; E328-A331 WeakPolarHBondContact O-CB 3.43Å; E328-A331 PolarHBondContact O-N 3.48Å; E328-A331 VanDerWaalsContact O-N 3.11Å; E328-P335 HydrophobicContact CG-CG 4.46Å; E328-P335 WeakPolarHBondContact OE1-CG 3.39Å | ||
| 329 | P | 98 | Very high | 98.4 | Very high | 108 Ų | 108 | 33.8 Ų | 33.8 | 70% | 0.701 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 125.9 | -176.8 | -22.7 | 33.7 | 0 | 0 | 0 | 111.9 | K327 A331 | K327-P329 HydrophobicContact CG-CG 4.34Å; K327-P329 WeakPolarHBondContact O-CD 3.44Å; P329-A331 VanDerWaalsContact C-N 3.28Å; P329-A331 PolarHBondContact O-N 2.99Å |
| 330 | G | 97.5 | Very high | 98.4 | Very high | 88 Ų | 88 | 33.2 Ų | 33.2 | 91% | 0.907 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -7.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | E328 | E328-G330 PolarHBondContact O-N 3.05Š|
| 331 | A | 97.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 36 Ų | 36 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | trans | -68.6 | 153.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E328 P329 A333 | E328-A331 HydrophobicContact CB-CB 3.61Å; E328-A331 WeakPolarHBondContact O-CB 3.43Å; E328-A331 PolarHBondContact O-N 3.48Å; E328-A331 VanDerWaalsContact O-N 3.11Å; P329-A331 VanDerWaalsContact C-N 3.28Å; P329-A331 PolarHBondContact O-N 2.99Å; A331-A333 PolarHBondContact O-N 3.36Å | ||
| 332 | Q | 95.8 | Very high | 98.3 | Very high | 168 Ų | 168 | 39.5 Ų | 39.5 | 79% | 0.785 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -63.5 | -31.3 | 176.6 | -173 | 177 | 5.2 | 0 | 0 | 112.3 | R391 | Q332-R391 PolarHBondContact O-NE 2.91Å; Q332-R391 PolarHBondContact O-NH2 3.49Å; Q332-R391 VanDerWaalsContact O-NH2 3.1Å |
| 333 | A | 97.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -166.9 | 173 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A331 Y337 L338 | A331-A333 PolarHBondContact O-N 3.36Å; A333-Y337 HydrophobicContact CB-CD1 3.09Å; A333-Y337 HydrophobicContact CB-CE1 3.62Å; A333-Y337 HydrophobicContact CB-CG 3.83Å; A333-L338 HydrophobicContact CB-CD2 3.74Å; A333-L338 HydrophobicContact CB-CG 4Å; A333-L338 WeakPolarHBondContact O-CD1 3.4Å |
| 334 | E | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | trans | -73.5 | 159.8 | 174.9 | -70.9 | 69.3 | -158.2 | 0 | 0 | 113.3 | D324 T326 L336 Y337 L338 R363 | D324-E334 HydrophobicContact CB-CB 3.34Å; D324-E334 HydrophobicContact CB-CG 3.82Å; D324-E334 WeakPolarHBondContact OD2-CB 3.42Å; T326-E334 HydrophobicContact CG2-CB 4.45Å; T326-E334 HydrophobicContact CG2-CG 4.34Å; E334-L336 PolarHBondContact O-N 3.04Å; E334-Y337 WeakPolarHBondContact O-CB 3.42Å; E334-Y337 PolarHBondContact O-N 3.46Å; E334-L338 WeakPolarHBondContact O-CG 3.3Å; E334-L338 PolarHBondContact O-N 3.12Å; E334-R363 HydrophobicContact CG-CG 3.94Å; E334-R363 WeakPolarHBondContact OE1-CD 3.41Å; E334-R363 IonicContact OE1-CZ 2.77Å; E334-R363 IonicContact OE1-NE 3.53Å; E334-R363 IonicContact OE1-NH1 3.63Å; E334-R363 PolarHBondContact OE1-NH1 3.28Å; E334-R363 IonicContact OE2-NH1 3.21Å | ||
| 335 | P | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | -166.8 | -28.1 | 37.2 | 0 | 0 | 0 | 115.4 | M127 Y301 T326 E328 Y337 L338 D339 | M127-P335 HydrophobicContact CB-CG 4.25Å; M127-P335 HydrophobicContact CG-CG 4.19Å; M127-P335 HydrophobicContact SD-CB 3.87Å; M127-P335 HydrophobicContact SD-CG 4.06Å; Y301-P335 VanDerWaalsContact OH-CB 3.26Å; Y301-P335 WeakPolarHBondContact OH-CB 3.44Å; T326-P335 HydrophobicContact CG2-CG 4.33Å; E328-P335 HydrophobicContact CG-CG 4.46Å; E328-P335 WeakPolarHBondContact OE1-CG 3.39Å; P335-Y337 VanDerWaalsContact C-N 3.34Å; P335-Y337 PolarHBondContact O-N 3.46Å; P335-L338 PolarHBondContact O-N 2.75Å; P335-D339 PolarHBondContact O-N 2.8Å; P335-D339 VanDerWaalsContact O-N 3.07Å |
| 336 | L | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67 | -40.1 | -178.5 | -178 | 63.5 | 0 | 0 | 0 | 110.7 | M272 V298 Y301 F304 V322 D324 E334 L338 D339 V340 | M272-L336 HydrophobicContact CG-CD2 3.97Å; M272-L336 HydrophobicContact SD-CD1 3.91Å; M272-L336 HydrophobicContact SD-CD2 3.86Å; M272-L336 HydrophobicContact SD-CG 4.31Å; V298-L336 HydrophobicContact CG1-CD1 4.43Å; V298-L336 HydrophobicContact CG2-CD1 4.23Å; Y301-L336 HydrophobicContact CD2-CD1 4.01Å; Y301-L336 HydrophobicContact CE2-CB 4.44Å; Y301-L336 HydrophobicContact CE2-CD1 3.89Å; F304-L336 HydrophobicContact CE2-CD1 3.93Å; V322-L336 HydrophobicContact CG1-CB 4.08Å; V322-L336 HydrophobicContact CG1-CD2 3.85Å; V322-L336 HydrophobicContact CG1-CG 3.6Å; D324-L336 VanDerWaalsContact OD1-CB 3.25Å; D324-L336 WeakPolarHBondContact OD1-CB 3.48Å; D324-L336 PolarHBondContact OD1-N 3.36Å; E334-L336 PolarHBondContact O-N 3.04Å; L336-L338 VanDerWaalsContact C-N 3.31Å; L336-L338 PolarHBondContact O-N 3.42Å; L336-D339 PolarHBondContact O-N 2.87Å; L336-V340 HydrophobicContact CD1-CG2 4.19Å; L336-V340 HydrophobicContact CG-CG2 4.34Å; L336-V340 WeakPolarHBondContact O-CB 3.49Å; L336-V340 WeakPolarHBondContact O-CG2 3.31Å; L336-V340 PolarHBondContact O-N 2.83Å |
| 337 | Y | 98.7 | Very high | 98 | Very high | 17 Ų | 17 | 45.2 Ų | 45.2 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55 | -47.4 | 171.7 | 176 | -80.8 | 0 | 0 | 0 | 111.8 | V322 D324 A333 E334 P335 D339 V340 M341 V359 R391 | V322-Y337 HydrophobicContact CB-CD2 4.13Å; V322-Y337 HydrophobicContact CG2-CD2 4.3Å; D324-Y337 PolarHBondContact OD2-N 3.06Å; A333-Y337 HydrophobicContact CB-CD1 3.09Å; A333-Y337 HydrophobicContact CB-CE1 3.62Å; A333-Y337 HydrophobicContact CB-CG 3.83Å; E334-Y337 WeakPolarHBondContact O-CB 3.42Å; E334-Y337 PolarHBondContact O-N 3.46Å; P335-Y337 VanDerWaalsContact C-N 3.34Å; P335-Y337 PolarHBondContact O-N 3.46Å; Y337-D339 VanDerWaalsContact C-N 3.34Å; Y337-D339 PolarHBondContact O-N 3.02Å; Y337-V340 PolarHBondContact O-N 3.21Å; Y337-M341 HydrophobicContact CD1-CB 4.39Å; Y337-M341 HydrophobicContact CE1-CB 4.06Å; Y337-M341 HydrophobicContact CE1-CG 4.31Å; Y337-M341 WeakPolarHBondContact O-CB 3.41Å; Y337-M341 PolarHBondContact O-N 3.4Å; Y337-V359 HydrophobicContact CD2-CG1 4.17Å; Y337-V359 HydrophobicContact CE2-CB 4.37Å; Y337-V359 HydrophobicContact CE2-CG1 3.72Å; Y337-R391 PolarHBondContact OH-NH1 2.61Å; Y337-R391 PolarHBondContact OH-NH2 3.31Å |
| 338 | L | 98.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 29% | 0.293 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | -179.2 | -68.5 | 176 | 0 | 0 | 0 | 111.6 | A333 E334 P335 L336 T342 | A333-L338 HydrophobicContact CB-CD2 3.74Å; A333-L338 HydrophobicContact CB-CG 4Å; A333-L338 WeakPolarHBondContact O-CD1 3.4Å; E334-L338 WeakPolarHBondContact O-CG 3.3Å; E334-L338 PolarHBondContact O-N 3.12Å; P335-L338 PolarHBondContact O-N 2.75Å; L336-L338 VanDerWaalsContact C-N 3.31Å; L336-L338 PolarHBondContact O-N 3.42Å; L338-T342 WeakPolarHBondContact O-CB 3.43Å; L338-T342 PolarHBondContact O-N 3.43Å; L338-T342 PolarHBondContact O-OG1 3.49Å |
| 339 | D | 98.7 | Very high | 97.9 | Very high | 33 Ų | 33 | 48 Ų | 48 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -46 | 179 | -65.3 | -37.7 | 0 | 0 | 0 | 111.9 | Y301 R302 F304 P335 L336 Y337 T342 A343 | Y301-D339 WeakPolarHBondContact CE2-OD2 3.13Å; Y301-D339 PolarHBondContact OH-OD2 2.69Å; R302-D339 IonicContact CZ-OD1 2.9Å; R302-D339 IonicContact CZ-OD2 2.81Å; R302-D339 VanDerWaalsContact CZ-OD2 3.22Å; R302-D339 IonicContact NH1-OD1 3.44Å; R302-D339 IonicContact NH1-OD2 3.82Å; R302-D339 PolarHBondContact NH1-OD2 3.13Å; R302-D339 IonicContact NH2-OD1 2.79Å; R302-D339 PolarHBondContact NH2-OD1 3.19Å; R302-D339 IonicContact NH2-OD2 3.92Å; R302-D339 PolarHBondContact NH2-OD2 2.88Å; F304-D339 HydrophobicContact CD1-CB 4.06Å; F304-D339 HydrophobicContact CD2-CB 3.98Å; F304-D339 HydrophobicContact CE1-CB 3.92Å; F304-D339 HydrophobicContact CE2-CB 3.85Å; F304-D339 HydrophobicContact CG-CB 4.07Å; F304-D339 HydrophobicContact CZ-CB 3.81Å; P335-D339 PolarHBondContact O-N 2.8Å; P335-D339 VanDerWaalsContact O-N 3.07Å; L336-D339 PolarHBondContact O-N 2.87Å; Y337-D339 VanDerWaalsContact C-N 3.34Å; Y337-D339 PolarHBondContact O-N 3.02Å; D339-T342 PolarHBondContact O-N 2.75Å; D339-A343 WeakPolarHBondContact O-CB 3.1Å; D339-A343 PolarHBondContact O-N 3.45Å |
| 340 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 178.4 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | I270 F304 L309 V322 L336 Y337 T342 A343 L344 | I270-V340 HydrophobicContact CD1-CG1 3.93Å; I270-V340 HydrophobicContact CD1-CG2 4.38Å; I270-V340 HydrophobicContact CG2-CG2 4.04Å; F304-V340 HydrophobicContact CZ-CG2 4.09Å; L309-V340 HydrophobicContact CD2-CG2 4.38Å; V322-V340 HydrophobicContact CG1-CG2 4.19Å; V322-V340 HydrophobicContact CG2-CB 3.87Å; V322-V340 HydrophobicContact CG2-CG1 3.62Å; V322-V340 HydrophobicContact CG2-CG2 4.19Å; L336-V340 HydrophobicContact CD1-CG2 4.19Å; L336-V340 HydrophobicContact CG-CG2 4.34Å; L336-V340 WeakPolarHBondContact O-CB 3.49Å; L336-V340 WeakPolarHBondContact O-CG2 3.31Å; L336-V340 PolarHBondContact O-N 2.83Å; Y337-V340 PolarHBondContact O-N 3.21Å; V340-T342 VanDerWaalsContact C-N 3.3Å; V340-T342 PolarHBondContact O-N 2.84Å; V340-A343 PolarHBondContact O-N 2.89Å; V340-L344 HydrophobicContact CG1-CD1 3.83Å; V340-L344 HydrophobicContact CG1-CG 4.43Å; V340-L344 WeakPolarHBondContact O-CG 3.36Å; V340-L344 PolarHBondContact O-N 3.04Å |
| 341 | M | 98 | Very high | 97.6 | Very high | 59 Ų | 59 | 47 Ų | 47 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 179.2 | -176.8 | 63.2 | -171 | 0 | 0 | 110.8 | Y337 L344 A345 L356 V359 | Y337-M341 HydrophobicContact CD1-CB 4.39Å; Y337-M341 HydrophobicContact CE1-CB 4.06Å; Y337-M341 HydrophobicContact CE1-CG 4.31Å; Y337-M341 WeakPolarHBondContact O-CB 3.41Å; Y337-M341 PolarHBondContact O-N 3.4Å; M341-L344 PolarHBondContact O-N 3.11Å; M341-A345 WeakPolarHBondContact O-CB 3.45Å; M341-A345 PolarHBondContact O-N 2.9Å; M341-L356 HydrophobicContact CE-CD2 4.37Å; M341-V359 HydrophobicContact SD-CB 3.96Å; M341-V359 HydrophobicContact SD-CG2 3.89Å |
| 342 | T | 98.3 | Very high | 97.3 | Very high | 73 Ų | 73 | 51 Ų | 51 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -50.5 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | L338 D339 V340 L344 A345 E346 | L338-T342 WeakPolarHBondContact O-CB 3.43Å; L338-T342 PolarHBondContact O-N 3.43Å; L338-T342 PolarHBondContact O-OG1 3.49Å; D339-T342 PolarHBondContact O-N 2.75Å; V340-T342 VanDerWaalsContact C-N 3.3Å; V340-T342 PolarHBondContact O-N 2.84Å; T342-L344 VanDerWaalsContact C-N 3.34Å; T342-L344 PolarHBondContact O-N 3.49Å; T342-A345 PolarHBondContact O-N 3.45Å; T342-E346 HydrophobicContact CG2-CG 4.33Å; T342-E346 WeakPolarHBondContact O-CB 3.35Å; T342-E346 WeakPolarHBondContact O-CG 3.31Å; T342-E346 PolarHBondContact O-N 2.69Å |
| 343 | A | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F304 A306 L309 D339 V340 A347 | F304-A343 HydrophobicContact CE1-CB 4.25Å; A306-A343 HydrophobicContact CB-CB 3.65Å; L309-A343 HydrophobicContact CD2-CB 3.86Å; D339-A343 WeakPolarHBondContact O-CB 3.1Å; D339-A343 PolarHBondContact O-N 3.45Å; V340-A343 PolarHBondContact O-N 2.89Å; A343-A347 VanDerWaalsContact O-CB 3.25Å; A343-A347 WeakPolarHBondContact O-CB 3.32Å; A343-A347 PolarHBondContact O-N 2.91Å; A343-A347 VanDerWaalsContact O-N 3.09Å |
| 344 | L | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.4 | -41.2 | 178.4 | -71.9 | 171.5 | 0 | 0 | 0 | 112.7 | L310 L313 V340 M341 T342 F348 L356 P357 V359 | L310-L344 HydrophobicContact CD2-CD2 3.99Å; L313-L344 HydrophobicContact CD2-CD2 3.91Å; V340-L344 HydrophobicContact CG1-CD1 3.83Å; V340-L344 HydrophobicContact CG1-CG 4.43Å; V340-L344 WeakPolarHBondContact O-CG 3.36Å; V340-L344 PolarHBondContact O-N 3.04Å; M341-L344 PolarHBondContact O-N 3.11Å; T342-L344 VanDerWaalsContact C-N 3.34Å; T342-L344 PolarHBondContact O-N 3.49Å; L344-F348 WeakPolarHBondContact O-CB 3.24Å; L344-F348 PolarHBondContact O-N 3.35Å; L344-L356 HydrophobicContact CB-CD1 3.81Å; L344-P357 HydrophobicContact CD2-CG 4.29Å; L344-V359 HydrophobicContact CD1-CG2 3.57Å |
| 345 | A | 97.7 | Very high | 96.4 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 21% | 0.207 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M341 T342 F348 N349 | M341-A345 WeakPolarHBondContact O-CB 3.45Å; M341-A345 PolarHBondContact O-N 2.9Å; T342-A345 PolarHBondContact O-N 3.45Å; A345-F348 PolarHBondContact O-N 2.98Å; A345-N349 WeakPolarHBondContact O-CB 3.46Å; A345-N349 VanDerWaalsContact O-CG 3.23Å; A345-N349 PolarHBondContact O-N 2.8Å; A345-N349 PolarHBondContact O-ND2 3.33Å |
| 346 | E | 97.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 174.9 | -71.7 | -174.5 | 162.5 | 0 | 0 | 111.4 | T342 F348 N349 N350 | T342-E346 HydrophobicContact CG2-CG 4.33Å; T342-E346 WeakPolarHBondContact O-CB 3.35Å; T342-E346 WeakPolarHBondContact O-CG 3.31Å; T342-E346 PolarHBondContact O-N 2.69Å; E346-F348 VanDerWaalsContact C-N 3.28Å; E346-F348 PolarHBondContact O-N 2.8Å; E346-N349 PolarHBondContact O-N 3.35Å; E346-N349 VanDerWaalsContact O-N 3.16Å; E346-N350 WeakPolarHBondContact O-CB 3.34Å; E346-N350 PolarHBondContact O-N 3.2Å; E346-N350 PolarHBondContact O-ND2 2.88Å |
| 347 | A | 96.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.2 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L310 A343 G351 E352 R353 | L310-A347 HydrophobicContact CD1-CB 3.58Å; L310-A347 HydrophobicContact CD2-CB 3.77Å; L310-A347 HydrophobicContact CG-CB 4.35Å; A343-A347 VanDerWaalsContact O-CB 3.25Å; A343-A347 WeakPolarHBondContact O-CB 3.32Å; A343-A347 PolarHBondContact O-N 2.91Å; A343-A347 VanDerWaalsContact O-N 3.09Å; A347-G351 PolarHBondContact O-N 2.65Å; A347-E352 HydrophobicContact CB-CB 4.17Å; A347-E352 WeakPolarHBondContact O-CA 3.19Å; A347-E352 WeakPolarHBondContact O-CB 3.5Å; A347-E352 PolarHBondContact O-N 3.5Å; A347-R353 HydrophobicContact CB-CG 4.14Å; A347-R353 PolarHBondContact O-N 2.86Å; A347-R353 VanDerWaalsContact O-N 3.13Å |
| 348 | F | 96.4 | Very high | 96.1 | Very high | 86 Ų | 86 | 61.5 Ų | 61.5 | 38% | 0.377 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.6 | -47.8 | 174.2 | 175.4 | -108 | 0 | 0 | 0 | 111.8 | L344 A345 E346 N350 G351 L356 | L344-F348 WeakPolarHBondContact O-CB 3.24Å; L344-F348 PolarHBondContact O-N 3.35Å; A345-F348 PolarHBondContact O-N 2.98Å; E346-F348 VanDerWaalsContact C-N 3.28Å; E346-F348 PolarHBondContact O-N 2.8Å; F348-N350 VanDerWaalsContact C-N 3.27Å; F348-N350 PolarHBondContact O-N 2.84Å; F348-G351 PolarHBondContact O-N 3.14Å; F348-L356 HydrophobicContact CB-CB 4.09Å; F348-L356 HydrophobicContact CB-CD1 4.47Å; F348-L356 HydrophobicContact CD1-CB 4.13Å; F348-L356 HydrophobicContact CD2-CB 4.18Å; F348-L356 HydrophobicContact CG-CB 3.85Å |
| 349 | N | 96.7 | Very high | 96.1 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 67% | 0.674 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.9 | -32.3 | -179.9 | -71.7 | -23.8 | 0 | 0 | 0 | 112.8 | A345 E346 G351 | A345-N349 WeakPolarHBondContact O-CB 3.46Å; A345-N349 VanDerWaalsContact O-CG 3.23Å; A345-N349 PolarHBondContact O-N 2.8Å; A345-N349 PolarHBondContact O-ND2 3.33Å; E346-N349 PolarHBondContact O-N 3.35Å; E346-N349 VanDerWaalsContact O-N 3.16Å; N349-G351 VanDerWaalsContact C-N 3.3Å |
| 350 | N | 95.9 | Very high | 96.1 | Very high | 113 Ų | 113 | 58.2 Ų | 58.2 | 60% | 0.604 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -6.5 | 176.7 | -66.3 | -14.5 | 0 | 0 | 0 | 113.3 | E346 F348 E352 | E346-N350 WeakPolarHBondContact O-CB 3.34Å; E346-N350 PolarHBondContact O-N 3.2Å; E346-N350 PolarHBondContact O-ND2 2.88Å; F348-N350 VanDerWaalsContact C-N 3.27Å; F348-N350 PolarHBondContact O-N 2.84Å; N350-E352 VanDerWaalsContact C-N 3.3Å; N350-E352 HydrophobicContact CB-CG 4.13Å; N350-E352 PolarHBondContact ND2-OE1 2.86Å; N350-E352 PolarHBondContact O-N 3.13Å |
| 351 | G | 93.8 | Very high | 96.1 | Very high | 62 Ų | 62 | 58.2 Ų | 58.2 | 64% | 0.639 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 11.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A347 F348 N349 R353 | A347-G351 PolarHBondContact O-N 2.65Å; F348-G351 PolarHBondContact O-N 3.14Å; N349-G351 VanDerWaalsContact C-N 3.3Å; G351-R353 VanDerWaalsContact C-N 3.26Å |
| 352 | E | 92.5 | Very high | 96.1 | Very high | 127 Ų | 127 | 55.5 Ų | 55.5 | 59% | 0.593 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -72.4 | -22.8 | 173.9 | -61.9 | 172.1 | -147.3 | 0 | 0 | 111.8 | A347 N350 | A347-E352 HydrophobicContact CB-CB 4.17Å; A347-E352 WeakPolarHBondContact O-CA 3.19Å; A347-E352 WeakPolarHBondContact O-CB 3.5Å; A347-E352 PolarHBondContact O-N 3.5Å; N350-E352 VanDerWaalsContact C-N 3.3Å; N350-E352 HydrophobicContact CB-CG 4.13Å; N350-E352 PolarHBondContact ND2-OE1 2.86Å; N350-E352 PolarHBondContact O-N 3.13Å |
| 353 | R | 90.9 | Very high | 96.2 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -126.6 | 136.7 | 169 | -68.3 | -172 | 74.3 | 98.9 | -2.3 | 111 | P314 A347 G351 T355 | P314-R353 PolarHBondContact O-NH2 3.36Å; A347-R353 HydrophobicContact CB-CG 4.14Å; A347-R353 PolarHBondContact O-N 2.86Å; A347-R353 VanDerWaalsContact O-N 3.13Å; G351-R353 VanDerWaalsContact C-N 3.26Å; R353-T355 VanDerWaalsContact C-N 3.29Å; R353-T355 PolarHBondContact O-N 2.93Å |
| 354 | E | 90.1 | Very high | 96.2 | Very high | 175 Ų | 175 | 53 Ų | 53 | 82% | 0.818 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -66.7 | -30.2 | 176.7 | -170.8 | -176.2 | -177.4 | 0 | 0 | 112.8 | ||
| 355 | T | 91.9 | Very high | 96.2 | Very high | 50 Ų | 50 | 53 Ų | 53 | 31% | 0.307 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -136.7 | 143.2 | -178.6 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | R353 P357 | R353-T355 VanDerWaalsContact C-N 3.29Å; R353-T355 PolarHBondContact O-N 2.93Å; T355-P357 WeakPolarHBondContact O-CD 3.4Å |
| 356 | L | 96.1 | Very high | 96.3 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | trans | -82 | 111.6 | 165.6 | -179.3 | 59.4 | 0 | 0 | 0 | 108.5 | M341 L344 F348 | M341-L356 HydrophobicContact CE-CD2 4.37Å; L344-L356 HydrophobicContact CB-CD1 3.81Å; F348-L356 HydrophobicContact CB-CB 4.09Å; F348-L356 HydrophobicContact CB-CD1 4.47Å; F348-L356 HydrophobicContact CD1-CB 4.13Å; F348-L356 HydrophobicContact CD2-CB 4.18Å; F348-L356 HydrophobicContact CG-CB 3.85Å | ||
| 357 | P | 96.1 | Very high | 96.2 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | trans | -59.4 | 152.6 | 176.1 | -21.8 | 34.5 | 0 | 0 | 0 | 111.1 | V317 R318 V320 L344 T355 V359 | V317-P357 HydrophobicContact CG1-CB 4.43Å; V317-P357 HydrophobicContact CG1-CG 4.49Å; R318-P357 WeakPolarHBondContact O-CA 3.44Å; V320-P357 HydrophobicContact CG2-CB 4.1Å; L344-P357 HydrophobicContact CD2-CG 4.29Å; T355-P357 WeakPolarHBondContact O-CD 3.4Å; P357-V359 WeakPolarHBondContact O-CG2 3.43Å; P357-V359 PolarHBondContact O-N 3.33Å | ||
| 358 | R | 97.5 | Very high | 96.3 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 35% | 0.347 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 113.6 | 170.3 | 179.4 | 171.5 | 64.1 | 176.1 | 11.6 | 109.3 | R318 S319 V320 L383 A385 A386 P388 | R318-R358 PolarHBondContact O-N 3.47Å; S319-R358 CarbonylContact C-O 3.59Å; S319-R358 WeakPolarHBondContact CA-O 3.23Å; S319-R358 PolarHBondContact OG-NE 3.43Å; V320-R358 PolarHBondContact N-O 2.94Å; R358-L383 PolarHBondContact NH2-O 2.99Å; R358-A385 PolarHBondContact NH1-O 3.28Å; R358-A385 PolarHBondContact NH2-O 2.89Å; R358-A386 PolarHBondContact NH1-O 3.14Å; R358-P388 HydrophobicContact CG-CG 4.43Å; R358-P388 VanDerWaalsContact CZ-CD 3.47Å |
| 359 | V | 98.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.3 | -178.3 | -165.5 | 0 | 0 | 0 | 0 | 111 | V320 V322 Y337 M341 L344 P357 | V320-V359 HydrophobicContact CB-CG1 4.39Å; V320-V359 HydrophobicContact CB-CG2 4.45Å; V320-V359 HydrophobicContact CG1-CG1 4.37Å; V320-V359 CarbonylContact O-C 3.57Å; V320-V359 WeakPolarHBondContact O-CA 3.3Å; V322-V359 HydrophobicContact CG2-CG1 3.81Å; Y337-V359 HydrophobicContact CD2-CG1 4.17Å; Y337-V359 HydrophobicContact CE2-CB 4.37Å; Y337-V359 HydrophobicContact CE2-CG1 3.72Å; M341-V359 HydrophobicContact SD-CB 3.96Å; M341-V359 HydrophobicContact SD-CG2 3.89Å; L344-V359 HydrophobicContact CD1-CG2 3.57Å; P357-V359 WeakPolarHBondContact O-CG2 3.43Å; P357-V359 PolarHBondContact O-N 3.33Å |
| 360 | I | 98.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 150.1 | 171.9 | 62.8 | 174.2 | 0 | 0 | 0 | 110.5 | V320 A321 V322 E382 L383 P388 K389 F392 | V320-I360 PolarHBondContact O-N 3.06Å; A321-I360 WeakPolarHBondContact CA-O 3.39Å; A321-I360 HydrophobicContact CB-CD1 4.18Å; A321-I360 HydrophobicContact CB-CG1 3.84Å; V322-I360 PolarHBondContact N-O 2.89Å; I360-E382 HydrophobicContact CD1-CB 4.5Å; I360-E382 HydrophobicContact CD1-CG 4.01Å; I360-L383 HydrophobicContact CD1-CD2 3.77Å; I360-L383 HydrophobicContact CD1-CG 4.17Å; I360-L383 HydrophobicContact CG1-CD2 3.91Å; I360-P388 HydrophobicContact CD1-CB 4.32Å; I360-P388 HydrophobicContact CG2-CB 4.04Å; I360-P388 HydrophobicContact CG2-CG 4Å; I360-K389 WeakPolarHBondContact CB-O 3.4Å; I360-K389 WeakPolarHBondContact CG2-O 3.38Å; I360-F392 HydrophobicContact CB-CE1 4.32Å; I360-F392 HydrophobicContact CD1-CD1 4.28Å; I360-F392 HydrophobicContact CD1-CE1 3.7Å; I360-F392 HydrophobicContact CG1-CE1 3.9Å |
| 361 | G | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V322 A390 R391 F392 | V322-G361 WeakPolarHBondContact O-CA 3.29Å; G361-A390 PolarHBondContact N-O 2.93Å; G361-R391 CarbonylContact O-C 3.59Å; G361-R391 VanDerWaalsContact O-CA 3.26Å; G361-R391 WeakPolarHBondContact O-CA 3.35Å; G361-F392 VanDerWaalsContact O-CD1 3.28Å; G361-F392 WeakPolarHBondContact O-CD1 3.49Å; G361-F392 PolarHBondContact O-N 2.85Å |
| 362 | G | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | V322 L323 D324 F392 | V322-G362 PolarHBondContact O-N 3.49Å; L323-G362 WeakPolarHBondContact CA-O 3.49Å; D324-G362 PolarHBondContact N-O 2.73Å; G362-F392 VanDerWaalsContact CA-CE2 3.42Å; G362-F392 WeakPolarHBondContact CA-O 3.26Å |
| 363 | R | 98.9 | Very high | 96.8 | Very high | 23 Ų | 23 | 34 Ų | 34 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.9 | 166 | -69.7 | -177.7 | -67.8 | -72.4 | -10.4 | 110.9 | D324 T326 E334 L366 F392 T393 V394 | D324-R363 WeakPolarHBondContact O-CA 3.35Å; T326-R363 WeakPolarHBondContact O-CD 3.49Å; T326-R363 WeakPolarHBondContact O-CG 3.42Å; E334-R363 HydrophobicContact CG-CG 3.94Å; E334-R363 WeakPolarHBondContact OE1-CD 3.41Å; E334-R363 IonicContact OE1-CZ 2.77Å; E334-R363 IonicContact OE1-NE 3.53Å; E334-R363 IonicContact OE1-NH1 3.63Å; E334-R363 PolarHBondContact OE1-NH1 3.28Å; E334-R363 IonicContact OE2-NH1 3.21Å; R363-L366 HydrophobicContact CB-CD1 4.14Å; R363-F392 PolarHBondContact N-O 3.2Å; R363-T393 HydrophobicContact CB-CG2 4.26Å; R363-T393 WeakPolarHBondContact O-CA 3.06Å; R363-V394 PolarHBondContact O-N 2.81Å; R363-V394 VanDerWaalsContact O-N 3.1Å |
| 364 | Y | 98.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | trans | -145.4 | 163.6 | 178.6 | 78.9 | -73.9 | 0 | 0 | 0 | 111.2 | M272 A275 L323 D324 R325 L366 F371 | M272-Y364 PolarHBondContact O-OH 3.03Å; A275-Y364 HydrophobicContact CB-CD2 4.29Å; A275-Y364 HydrophobicContact CB-CE2 3.4Å; A275-Y364 VanDerWaalsContact CB-CE2 3.4Å; L323-Y364 HydrophobicContact CB-CD1 3.71Å; L323-Y364 HydrophobicContact CB-CE1 3.71Å; D324-Y364 WeakPolarHBondContact O-CD1 3.17Å; D324-Y364 PolarHBondContact O-N 3.06Å; R325-Y364 HydrophobicContact CB-CD1 4.44Å; R325-Y364 HydrophobicContact CB-CE1 3.8Å; R325-Y364 HydrophobicContact CB-CE2 4.42Å; R325-Y364 HydrophobicContact CG-CE1 4.26Å; R325-Y364 HydrophobicContact CG-CE2 4.06Å; R325-Y364 WeakPolarHBondContact CG-O 3.37Å; Y364-L366 PolarHBondContact O-N 2.89Å; Y364-F371 HydrophobicContact CD2-CB 4.04Å; Y364-F371 HydrophobicContact CD2-CD1 4.24Å; Y364-F371 AromaticContact CD2-CD2 3.57Å; Y364-F371 HydrophobicContact CD2-CD2 3.57Å; Y364-F371 HydrophobicContact CD2-CE2 4.02Å; Y364-F371 AromaticContact CD2-CG 3.68Å; Y364-F371 HydrophobicContact CD2-CG 3.68Å; Y364-F371 HydrophobicContact CE2-CD1 4.48Å; Y364-F371 HydrophobicContact CE2-CG 4.31Å; Y364-F371 AromaticContact CG-CD2 3.98Å; Y364-F371 HydrophobicContact CG-CD2 3.98Å; Y364-F371 HydrophobicContact CG-CE2 4.13Å | ||
| 365 | G | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | trans | 62.8 | 15.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117 | R325 S367 S368 K369 | R325-G365 PolarHBondContact NE-O 3.33Å; R325-G365 PolarHBondContact NH2-O 3.19Å; G365-S367 PolarHBondContact O-N 3.49Å; G365-S368 PolarHBondContact O-N 3.48Å; G365-K369 WeakPolarHBondContact CA-O 3.35Å | ||
| 366 | L | 98.7 | Very high | 97.8 | Very high | 60 Ų | 60 | 24.2 Ų | 24.2 | 31% | 0.314 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -58.7 | 134.3 | 176.3 | -75.5 | 93.8 | 0 | 0 | 0 | 109.7 | K327 R363 Y364 S368 K369 | K327-L366 HydrophobicContact CB-CD2 3.79Å; R363-L366 HydrophobicContact CB-CD1 4.14Å; Y364-L366 PolarHBondContact O-N 2.89Å; L366-S368 VanDerWaalsContact C-N 3.32Å; L366-S368 PolarHBondContact O-N 2.77Å; L366-K369 VanDerWaalsContact O-CB 3.22Å; L366-K369 WeakPolarHBondContact O-CB 3.49Å; L366-K369 PolarHBondContact O-N 3.17Å |
| 367 | S | 97.2 | Very high | 97.9 | Very high | 43 Ų | 43 | 21.9 Ų | 21.9 | 30% | 0.301 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | 50.9 | 48.2 | -179.1 | 177.7 | 0 | 0 | 0 | 0 | 113.6 | T111 S118 F120 D122 G365 K369 | T111-S367 WeakPolarHBondContact OG1-CA 3.15Å; T111-S367 WeakPolarHBondContact OG1-CB 3.34Å; T111-S367 PolarHBondContact OG1-N 3.29Å; S118-S367 WeakPolarHBondContact CB-OG 3.24Å; S118-S367 PolarHBondContact OG-OG 3.23Å; F120-S367 VanDerWaalsContact CB-C 3.45Å; F120-S367 WeakPolarHBondContact CB-O 3.46Å; D122-S367 PolarHBondContact OD2-N 3.31Å; G365-S367 PolarHBondContact O-N 3.49Å; S367-K369 PolarHBondContact O-N 3.3Å; S367-K369 VanDerWaalsContact O-N 3.16Å |
| 368 | S | 97.6 | Very high | 98 | Very high | 21 Ų | 21 | 21.9 Ų | 21.9 | 15% | 0.147 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | 53.5 | 26.1 | -174.2 | -63.7 | 0 | 0 | 0 | 0 | 114.7 | G121 G365 L366 E370 | G121-S368 PolarHBondContact N-OG 3.5Å; G121-S368 PolarHBondContact O-N 3.41Å; G365-S368 PolarHBondContact O-N 3.48Å; L366-S368 VanDerWaalsContact C-N 3.32Å; L366-S368 PolarHBondContact O-N 2.77Å; S368-E370 PolarHBondContact O-N 3.22Å |
| 369 | K | 97.7 | Very high | 98 | Very high | 54 Ų | 54 | 17.5 Ų | 17.5 | 24% | 0.235 | 10% | 0.095 | C | C | . | . | trans | -52.2 | 139.5 | 169.5 | -178.3 | 60.3 | 60.5 | 173.3 | 0 | 109.6 | G365 L366 S367 F371 G395 I396 D652 | G365-K369 WeakPolarHBondContact CA-O 3.35Å; L366-K369 VanDerWaalsContact O-CB 3.22Å; L366-K369 WeakPolarHBondContact O-CB 3.49Å; L366-K369 PolarHBondContact O-N 3.17Å; S367-K369 PolarHBondContact O-N 3.3Å; S367-K369 VanDerWaalsContact O-N 3.16Å; K369-F371 PolarHBondContact O-N 2.84Å; K369-G395 WeakPolarHBondContact CD-O 3.26Å; K369-I396 HydrophobicContact CD-CG2 4.32Å; K369-I396 HydrophobicContact CG-CG2 4.31Å; K369-D652 IonicContact NZ-OD1 3.18Å; K369-D652 PolarHBondContact NZ-OD1 3.06Å | ||
| 370 | E | 96.9 | Very high | 98 | Very high | 54 Ų | 54 | 16.9 Ų | 16.9 | 25% | 0.252 | 9% | 0.091 | S | C | . | . | trans | -60.2 | 137.9 | -176.3 | -160.5 | 56.5 | -148.9 | 0 | 0 | 111.7 | S368 Y479 L480 | S368-E370 PolarHBondContact O-N 3.22Å; E370-Y479 VanDerWaalsContact OE1-C 3.3Å; E370-Y479 WeakPolarHBondContact OE1-CA 3.13Å; E370-Y479 WeakPolarHBondContact OE1-CB 3.17Å; E370-L480 PolarHBondContact OE1-N 3.16Å; E370-L480 WeakPolarHBondContact OE2-CD1 3.3Å; E370-L480 WeakPolarHBondContact OE2-CG 3.34Å | ||
| 371 | F | 97.9 | Very high | 98 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 4% | 0.035 | 11% | 0.114 | C | C | . | . | trans | -134.5 | 84.1 | 174.3 | -174.4 | -98.6 | 0 | 0 | 0 | 108.3 | A275 L323 Y364 K369 C375 V376 V394 | A275-F371 HydrophobicContact CB-CD1 3.46Å; A275-F371 VanDerWaalsContact CB-CD1 3.46Å; A275-F371 HydrophobicContact CB-CE1 3.57Å; A275-F371 HydrophobicContact CB-CG 4.36Å; L323-F371 HydrophobicContact CD1-CE2 4.29Å; L323-F371 HydrophobicContact CD1-CZ 3.87Å; Y364-F371 HydrophobicContact CD2-CB 4.04Å; Y364-F371 HydrophobicContact CD2-CD1 4.24Å; Y364-F371 AromaticContact CD2-CD2 3.57Å; Y364-F371 HydrophobicContact CD2-CD2 3.57Å; Y364-F371 HydrophobicContact CD2-CE2 4.02Å; Y364-F371 AromaticContact CD2-CG 3.68Å; Y364-F371 HydrophobicContact CD2-CG 3.68Å; Y364-F371 HydrophobicContact CE2-CD1 4.48Å; Y364-F371 HydrophobicContact CE2-CG 4.31Å; Y364-F371 AromaticContact CG-CD2 3.98Å; Y364-F371 HydrophobicContact CG-CD2 3.98Å; Y364-F371 HydrophobicContact CG-CE2 4.13Å; K369-F371 PolarHBondContact O-N 2.84Å; F371-C375 HydrophobicContact CD2-CB 3.58Å; F371-C375 HydrophobicContact CE2-CB 3.66Å; F371-C375 HydrophobicContact CG-CB 4.29Å; F371-C375 HydrophobicContact CZ-CB 4.4Å; F371-V376 HydrophobicContact CD1-CG2 4.44Å; F371-V376 HydrophobicContact CE1-CG2 3.54Å; F371-V376 HydrophobicContact CZ-CG2 3.69Å; F371-V394 HydrophobicContact CD2-CG1 4.19Å; F371-V394 HydrophobicContact CE2-CG1 3.87Å | ||
| 372 | G | 96.3 | Very high | 98 | Very high | 5 Ų | 5 | 21 Ų | 21 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | trans | -92.3 | -178.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | D374 C375 V376 | G372-D374 VanDerWaalsContact C-N 3.25Å; G372-D374 VanDerWaalsContact C-OD1 3.24Å; G372-D374 WeakPolarHBondContact CA-OD1 3.45Å; G372-D374 PolarHBondContact O-N 2.65Å; G372-C375 WeakPolarHBondContact O-CB 3.49Å; G372-C375 PolarHBondContact O-N 3.37Å; G372-C375 VanDerWaalsContact O-N 3.11Å; G372-V376 PolarHBondContact O-N 2.76Å | ||
| 373 | P | 97 | Very high | 97.9 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.5 | -34 | 177.2 | -28.6 | 37.2 | 0 | 0 | 0 | 114.7 | T278 V282 C375 V376 L377 L412 Y479 | T278-P373 HydrophobicContact CG2-CG 4.28Å; V282-P373 HydrophobicContact CG2-CB 3.68Å; P373-C375 VanDerWaalsContact C-N 3.31Å; P373-C375 PolarHBondContact O-N 2.61Å; P373-V376 PolarHBondContact O-N 3.37Å; P373-L377 VanDerWaalsContact O-CG 3.3Å; P373-L377 WeakPolarHBondContact O-CG 3.17Å; P373-L377 PolarHBondContact O-N 3Å; P373-L412 HydrophobicContact CB-CD1 3.91Å; P373-L412 HydrophobicContact CB-CD2 3.93Å; P373-L412 HydrophobicContact CB-CG 4.4Å; P373-L412 HydrophobicContact CG-CD2 4.15Å; P373-Y479 HydrophobicContact CG-CD1 4.49Å; P373-Y479 HydrophobicContact CG-CE1 3.83Å; P373-Y479 HydrophobicContact CG-CE2 3.98Å |
| 374 | D | 97 | Very high | 97.8 | Very high | 45 Ų | 45 | 25.5 Ų | 25.5 | 24% | 0.241 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.6 | -41.3 | 174.1 | 59 | -24.1 | 0 | 0 | 0 | 112.4 | G372 L377 A378 P408 | G372-D374 VanDerWaalsContact C-N 3.25Å; G372-D374 VanDerWaalsContact C-OD1 3.24Å; G372-D374 WeakPolarHBondContact CA-OD1 3.45Å; G372-D374 PolarHBondContact O-N 2.65Å; D374-L377 PolarHBondContact O-N 3.22Å; D374-A378 WeakPolarHBondContact O-CB 3.42Å; D374-A378 PolarHBondContact O-N 3.39Å; D374-P408 WeakPolarHBondContact CB-O 3.5Å; D374-P408 WeakPolarHBondContact O-CD 3.46Å |
| 375 | C | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.02 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.3 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | F371 G372 P373 A378 V379 V394 L407 | F371-C375 HydrophobicContact CD2-CB 3.58Å; F371-C375 HydrophobicContact CE2-CB 3.66Å; F371-C375 HydrophobicContact CG-CB 4.29Å; F371-C375 HydrophobicContact CZ-CB 4.4Å; G372-C375 WeakPolarHBondContact O-CB 3.49Å; G372-C375 PolarHBondContact O-N 3.37Å; G372-C375 VanDerWaalsContact O-N 3.11Å; P373-C375 VanDerWaalsContact C-N 3.31Å; P373-C375 PolarHBondContact O-N 2.61Å; C375-A378 WeakPolarHBondContact O-CB 3.47Å; C375-A378 PolarHBondContact O-N 2.79Å; C375-V379 WeakPolarHBondContact O-CG2 3.49Å; C375-V379 PolarHBondContact O-N 3.37Å; C375-V379 VanDerWaalsContact O-N 3.08Å; C375-V394 HydrophobicContact CB-CG2 3.63Å; C375-L407 HydrophobicContact CB-CD2 4.47Å |
| 376 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 179.2 | -170.2 | 0 | 0 | 0 | 0 | 111 | I269 T278 C279 V282 F371 G372 P373 A378 V379 F380 | I269-V376 HydrophobicContact CD1-CG1 3.75Å; T278-V376 HydrophobicContact CG2-CG2 3.94Å; C279-V376 HydrophobicContact CB-CG1 4.42Å; V282-V376 HydrophobicContact CB-CB 4.07Å; V282-V376 HydrophobicContact CB-CG1 3.86Å; V282-V376 HydrophobicContact CG1-CB 4.13Å; V282-V376 HydrophobicContact CG1-CG1 3.87Å; V282-V376 HydrophobicContact CG2-CB 3.87Å; V282-V376 HydrophobicContact CG2-CG1 4.22Å; V282-V376 HydrophobicContact CG2-CG2 4.23Å; F371-V376 HydrophobicContact CD1-CG2 4.44Å; F371-V376 HydrophobicContact CE1-CG2 3.54Å; F371-V376 HydrophobicContact CZ-CG2 3.69Å; G372-V376 PolarHBondContact O-N 2.76Å; P373-V376 PolarHBondContact O-N 3.37Å; V376-A378 VanDerWaalsContact C-N 3.31Å; V376-A378 PolarHBondContact O-N 3.4Å; V376-V379 PolarHBondContact O-N 3.21Å; V376-V379 VanDerWaalsContact O-N 3.15Å; V376-F380 HydrophobicContact CG1-CD2 3.88Å; V376-F380 HydrophobicContact CG1-CE2 3.73Å; V376-F380 PolarHBondContact O-N 2.99Å |
| 377 | L | 98.1 | Very high | 97.5 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 174.3 | -72.3 | 169.9 | 0 | 0 | 0 | 111.1 | V282 L286 P373 D374 V379 F380 A381 P408 L412 | V282-L377 HydrophobicContact CG1-CD2 3.75Å; V282-L377 HydrophobicContact CG1-CG 4.03Å; L286-L377 HydrophobicContact CD1-CD2 4.47Å; L286-L377 HydrophobicContact CD2-CD2 3.99Å; L286-L377 HydrophobicContact CG-CD2 4.45Å; P373-L377 VanDerWaalsContact O-CG 3.3Å; P373-L377 WeakPolarHBondContact O-CG 3.17Å; P373-L377 PolarHBondContact O-N 3Å; D374-L377 PolarHBondContact O-N 3.22Å; L377-V379 VanDerWaalsContact C-N 3.32Å; L377-V379 PolarHBondContact O-N 3.41Å; L377-F380 PolarHBondContact O-N 3.28Å; L377-A381 WeakPolarHBondContact O-CB 3.31Å; L377-A381 PolarHBondContact O-N 2.95Å; L377-P408 HydrophobicContact CB-CG 3.62Å; L377-L412 HydrophobicContact CD1-CD1 4.05Å |
| 378 | A | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | D374 C375 V376 A381 E382 V394 L405 P406 L407 | D374-A378 WeakPolarHBondContact O-CB 3.42Å; D374-A378 PolarHBondContact O-N 3.39Å; C375-A378 WeakPolarHBondContact O-CB 3.47Å; C375-A378 PolarHBondContact O-N 2.79Å; V376-A378 VanDerWaalsContact C-N 3.31Å; V376-A378 PolarHBondContact O-N 3.4Å; A378-A381 PolarHBondContact O-N 2.93Å; A378-E382 WeakPolarHBondContact O-CB 3.34Å; A378-E382 PolarHBondContact O-N 2.84Å; A378-V394 HydrophobicContact CB-CG2 4.4Å; A378-L405 HydrophobicContact CB-CB 4.15Å; A378-L405 HydrophobicContact CB-CD1 4.42Å; A378-P406 WeakPolarHBondContact CB-O 3.31Å; A378-L407 HydrophobicContact CB-CD2 4.13Å |
| 379 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | I269 A321 L323 C375 V376 L377 A381 E382 L383 F392 V394 L405 | I269-V379 HydrophobicContact CD1-CB 4.16Å; I269-V379 HydrophobicContact CD1-CG1 3.71Å; I269-V379 HydrophobicContact CG1-CG1 3.95Å; A321-V379 HydrophobicContact CB-CG1 3.55Å; L323-V379 HydrophobicContact CD2-CG1 4.44Å; L323-V379 HydrophobicContact CD2-CG2 4.25Å; C375-V379 WeakPolarHBondContact O-CG2 3.49Å; C375-V379 PolarHBondContact O-N 3.37Å; C375-V379 VanDerWaalsContact O-N 3.08Å; V376-V379 PolarHBondContact O-N 3.21Å; V376-V379 VanDerWaalsContact O-N 3.15Å; L377-V379 VanDerWaalsContact C-N 3.32Å; L377-V379 PolarHBondContact O-N 3.41Å; V379-A381 VanDerWaalsContact C-N 3.34Å; V379-E382 PolarHBondContact O-N 3.06Å; V379-L383 PolarHBondContact O-N 2.6Å; V379-F392 HydrophobicContact CG1-CZ 4.24Å; V379-F392 HydrophobicContact CG2-CE2 3.84Å; V379-F392 HydrophobicContact CG2-CZ 4.06Å; V379-V394 HydrophobicContact CG2-CG1 4.46Å; V379-L405 HydrophobicContact CG2-CD1 4.17Å |
| 380 | F | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.8 | -33.6 | 176.5 | -81.3 | -58.6 | 0 | 0 | 0 | 113.2 | R267 I269 V282 V283 L286 V293 V376 L377 L383 N384 | R267-F380 HydrophobicContact CB-CD1 4.41Å; R267-F380 PolarHBondContact NH1-O 3.47Å; I269-F380 HydrophobicContact CD1-CD1 4.42Å; I269-F380 HydrophobicContact CD1-CD2 4.01Å; I269-F380 HydrophobicContact CD1-CE1 4.05Å; I269-F380 HydrophobicContact CD1-CE2 3.61Å; I269-F380 HydrophobicContact CD1-CG 4.4Å; I269-F380 HydrophobicContact CD1-CZ 3.62Å; I269-F380 HydrophobicContact CG1-CD1 4.44Å; I269-F380 HydrophobicContact CG1-CE1 3.87Å; I269-F380 HydrophobicContact CG1-CE2 4.3Å; I269-F380 HydrophobicContact CG1-CZ 3.78Å; V282-F380 HydrophobicContact CG1-CD2 4.28Å; V282-F380 HydrophobicContact CG1-CE2 4.42Å; V283-F380 HydrophobicContact CG2-CE2 3.99Å; V283-F380 HydrophobicContact CG2-CZ 3.83Å; L286-F380 HydrophobicContact CD1-CB 4.28Å; L286-F380 HydrophobicContact CD1-CD2 3.58Å; L286-F380 HydrophobicContact CD1-CE2 4.08Å; L286-F380 HydrophobicContact CD1-CG 4.01Å; V293-F380 HydrophobicContact CB-CD1 4.19Å; V293-F380 HydrophobicContact CB-CE1 3.65Å; V293-F380 HydrophobicContact CB-CZ 3.89Å; V293-F380 HydrophobicContact CG1-CD1 3.72Å; V293-F380 HydrophobicContact CG1-CE1 3.71Å; V293-F380 HydrophobicContact CG1-CG 4.35Å; V293-F380 HydrophobicContact CG1-CZ 4.32Å; V293-F380 HydrophobicContact CG2-CZ 4.48Å; V376-F380 HydrophobicContact CG1-CD2 3.88Å; V376-F380 HydrophobicContact CG1-CE2 3.73Å; V376-F380 PolarHBondContact O-N 2.99Å; L377-F380 PolarHBondContact O-N 3.28Å; F380-L383 HydrophobicContact CD1-CD1 4.1Å; F380-L383 HydrophobicContact CE1-CD1 4.45Å; F380-L383 PolarHBondContact O-N 2.98Å; F380-N384 PolarHBondContact O-N 2.93Å |
| 381 | A | 97.4 | Very high | 97.5 | Very high | 62 Ų | 62 | 40 Ų | 40 | 51% | 0.512 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L377 A378 V379 L383 N384 A385 | L377-A381 WeakPolarHBondContact O-CB 3.31Å; L377-A381 PolarHBondContact O-N 2.95Å; A378-A381 PolarHBondContact O-N 2.93Å; V379-A381 VanDerWaalsContact C-N 3.34Å; A381-L383 PolarHBondContact O-N 3.48Å; A381-N384 CarbonylContact O-C 3.56Å; A381-N384 WeakPolarHBondContact O-CB 3.49Å; A381-N384 PolarHBondContact O-N 2.87Å; A381-N384 VanDerWaalsContact O-N 3.11Å; A381-A385 PolarHBondContact O-N 3.33Å; A381-A385 VanDerWaalsContact O-N 3.13Å |
| 382 | E | 98.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.6 | -167.9 | 64.6 | -166.8 | 0 | 0 | 111.2 | I360 A378 V379 N384 A385 P388 K389 L405 | I360-E382 HydrophobicContact CD1-CB 4.5Å; I360-E382 HydrophobicContact CD1-CG 4.01Å; A378-E382 WeakPolarHBondContact O-CB 3.34Å; A378-E382 PolarHBondContact O-N 2.84Å; V379-E382 PolarHBondContact O-N 3.06Å; E382-N384 PolarHBondContact O-N 3Å; E382-N384 VanDerWaalsContact O-N 3.16Å; E382-A385 WeakPolarHBondContact O-CB 3.36Å; E382-A385 PolarHBondContact O-N 2.83Å; E382-P388 HydrophobicContact CG-CB 4.05Å; E382-P388 WeakPolarHBondContact O-CB 3.47Å; E382-P388 WeakPolarHBondContact OE1-CA 3.45Å; E382-K389 WeakPolarHBondContact OE1-CG 3.4Å; E382-K389 PolarHBondContact OE1-N 2.8Å; E382-L405 HydrophobicContact CB-CD1 3.96Å; E382-L405 HydrophobicContact CB-CD2 4.16Å; E382-L405 HydrophobicContact CG-CD1 4.29Å; E382-L405 HydrophobicContact CG-CD2 3.79Å |
| 383 | L | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -28.9 | 175 | -77.3 | 173 | 0 | 0 | 0 | 113.6 | R267 I269 V320 A321 R358 I360 V379 F380 A381 | R267-L383 HydrophobicContact CB-CB 4.36Å; R267-L383 HydrophobicContact CB-CD1 4.23Å; R267-L383 HydrophobicContact CG-CB 4.08Å; I269-L383 HydrophobicContact CG1-CD1 4.39Å; V320-L383 VanDerWaalsContact C-CD2 3.48Å; A321-L383 HydrophobicContact CB-CD1 3.77Å; A321-L383 HydrophobicContact CB-CD2 3.89Å; A321-L383 HydrophobicContact CB-CG 3.93Å; R358-L383 PolarHBondContact NH2-O 2.99Å; I360-L383 HydrophobicContact CD1-CD2 3.77Å; I360-L383 HydrophobicContact CD1-CG 4.17Å; I360-L383 HydrophobicContact CG1-CD2 3.91Å; V379-L383 PolarHBondContact O-N 2.6Å; F380-L383 HydrophobicContact CD1-CD1 4.1Å; F380-L383 HydrophobicContact CE1-CD1 4.45Å; F380-L383 PolarHBondContact O-N 2.98Å; A381-L383 PolarHBondContact O-N 3.48Å |
| 384 | N | 96.3 | Very high | 97.7 | Very high | 116 Ų | 116 | 40.1 Ų | 40.1 | 62% | 0.62 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -85.8 | -10.3 | 177.3 | -159.9 | 44.5 | 0 | 0 | 0 | 113.2 | F380 A381 E382 | F380-N384 PolarHBondContact O-N 2.93Å; A381-N384 CarbonylContact O-C 3.56Å; A381-N384 WeakPolarHBondContact O-CB 3.49Å; A381-N384 PolarHBondContact O-N 2.87Å; A381-N384 VanDerWaalsContact O-N 3.11Å; E382-N384 PolarHBondContact O-N 3Å; E382-N384 VanDerWaalsContact O-N 3.16Å |
| 385 | A | 97 | Very high | 97.7 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -65.4 | 148.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R358 A381 E382 K387 | R358-A385 PolarHBondContact NH1-O 3.28Å; R358-A385 PolarHBondContact NH2-O 2.89Å; A381-A385 PolarHBondContact O-N 3.33Å; A381-A385 VanDerWaalsContact O-N 3.13Å; E382-A385 WeakPolarHBondContact O-CB 3.36Å; E382-A385 PolarHBondContact O-N 2.83Å; A385-K387 VanDerWaalsContact C-N 3.29Å; A385-K387 PolarHBondContact O-N 3.28Å |
| 386 | A | 95.8 | Very high | 97.7 | Very high | 95 Ų | 95 | 41.7 Ų | 41.7 | 79% | 0.785 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -62.8 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R358 | R358-A386 PolarHBondContact NH1-O 3.14Š|
| 387 | K | 96.3 | Very high | 97.7 | Very high | 195 Ų | 195 | 48.5 Ų | 48.5 | 85% | 0.848 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -131.6 | 79.9 | 179 | -67.5 | -176.9 | -179.8 | -179.9 | 0 | 110.1 | A385 | A385-K387 VanDerWaalsContact C-N 3.29Å; A385-K387 PolarHBondContact O-N 3.28Å |
| 388 | P | 97.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | trans | -69.1 | 150 | 179.3 | 30.7 | -36.3 | 0 | 0 | 0 | 111.2 | R358 I360 E382 A390 | R358-P388 HydrophobicContact CG-CG 4.43Å; R358-P388 VanDerWaalsContact CZ-CD 3.47Å; I360-P388 HydrophobicContact CD1-CB 4.32Å; I360-P388 HydrophobicContact CG2-CB 4.04Å; I360-P388 HydrophobicContact CG2-CG 4Å; E382-P388 HydrophobicContact CG-CB 4.05Å; E382-P388 WeakPolarHBondContact O-CB 3.47Å; E382-P388 WeakPolarHBondContact OE1-CA 3.45Å; P388-A390 PolarHBondContact O-N 2.93Å | ||
| 389 | K | 97.7 | Very high | 97.7 | Very high | 75 Ų | 75 | 50 Ų | 50 | 33% | 0.326 | 28% | 0.278 | S | S | . | . | trans | -60.5 | 122.7 | 168.5 | -66.6 | 175.1 | -171.6 | -85.2 | 0 | 108.9 | I360 E382 R391 F392 N402 L405 | I360-K389 WeakPolarHBondContact CB-O 3.4Å; I360-K389 WeakPolarHBondContact CG2-O 3.38Å; E382-K389 WeakPolarHBondContact OE1-CG 3.4Å; E382-K389 PolarHBondContact OE1-N 2.8Å; K389-R391 PolarHBondContact O-N 3.01Å; K389-F392 HydrophobicContact CB-CB 4.33Å; K389-F392 HydrophobicContact CD-CB 4.32Å; K389-N402 PolarHBondContact NZ-O 3.42Å; K389-L405 HydrophobicContact CD-CD2 3.92Å | ||
| 390 | A | 96.7 | Very high | 97.7 | Very high | 59 Ų | 59 | 54 Ų | 54 | 49% | 0.488 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -63.8 | -31.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G361 P388 | G361-A390 PolarHBondContact N-O 2.93Å; P388-A390 PolarHBondContact O-N 2.93Å |
| 391 | R | 97.7 | Very high | 97.7 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.9 | 174.7 | -61.3 | -65.3 | 178.5 | -90 | -2.9 | 108.8 | Q332 Y337 G361 K389 | Q332-R391 PolarHBondContact O-NE 2.91Å; Q332-R391 PolarHBondContact O-NH2 3.49Å; Q332-R391 VanDerWaalsContact O-NH2 3.1Å; Y337-R391 PolarHBondContact OH-NH1 2.61Å; Y337-R391 PolarHBondContact OH-NH2 3.31Å; G361-R391 CarbonylContact O-C 3.59Å; G361-R391 VanDerWaalsContact O-CA 3.26Å; G361-R391 WeakPolarHBondContact O-CA 3.35Å; K389-R391 PolarHBondContact O-N 3.01Å |
| 392 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 168.1 | 178.4 | 65.2 | -91.2 | 0 | 0 | 0 | 112.4 | L323 I360 G361 G362 R363 V379 K389 V394 L403 L405 | L323-F392 HydrophobicContact CD2-CE2 3.92Å; L323-F392 HydrophobicContact CD2-CZ 3.63Å; I360-F392 HydrophobicContact CB-CE1 4.32Å; I360-F392 HydrophobicContact CD1-CD1 4.28Å; I360-F392 HydrophobicContact CD1-CE1 3.7Å; I360-F392 HydrophobicContact CG1-CE1 3.9Å; G361-F392 VanDerWaalsContact O-CD1 3.28Å; G361-F392 WeakPolarHBondContact O-CD1 3.49Å; G361-F392 PolarHBondContact O-N 2.85Å; G362-F392 VanDerWaalsContact CA-CE2 3.42Å; G362-F392 WeakPolarHBondContact CA-O 3.26Å; R363-F392 PolarHBondContact N-O 3.2Å; V379-F392 HydrophobicContact CG1-CZ 4.24Å; V379-F392 HydrophobicContact CG2-CE2 3.84Å; V379-F392 HydrophobicContact CG2-CZ 4.06Å; K389-F392 HydrophobicContact CB-CB 4.33Å; K389-F392 HydrophobicContact CD-CB 4.32Å; F392-V394 HydrophobicContact CD2-CB 4.49Å; F392-V394 HydrophobicContact CE2-CB 4.46Å; F392-V394 HydrophobicContact CE2-CG1 4.45Å; F392-L403 CarbonylContact C-O 3.59Å; F392-L403 WeakPolarHBondContact CA-O 3.21Å; F392-L403 VanDerWaalsContact CB-O 3.26Å; F392-L403 WeakPolarHBondContact CB-O 3.25Å; F392-L405 HydrophobicContact CB-CD2 3.87Å; F392-L405 HydrophobicContact CB-CG 4.01Å; F392-L405 HydrophobicContact CD2-CD1 3.45Å; F392-L405 VanDerWaalsContact CD2-CD1 3.45Å; F392-L405 HydrophobicContact CD2-CD2 4.31Å; F392-L405 HydrophobicContact CD2-CG 3.65Å; F392-L405 HydrophobicContact CE2-CD1 3.63Å; F392-L405 HydrophobicContact CE2-CG 4.34Å; F392-L405 HydrophobicContact CG-CD1 3.98Å; F392-L405 HydrophobicContact CG-CD2 4.12Å; F392-L405 HydrophobicContact CG-CG 3.97Å; F392-L405 HydrophobicContact CZ-CD1 4.3Å |
| 393 | T | 98.9 | Very high | 97.7 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 8% | 0.08 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 154.1 | 164.8 | 49.4 | 0 | 0 | 0 | 0 | 108.8 | R363 I396 L403 S404 L405 | R363-T393 HydrophobicContact CB-CG2 4.26Å; R363-T393 WeakPolarHBondContact O-CA 3.06Å; T393-I396 HydrophobicContact CG2-CD1 4.24Å; T393-L403 HydrophobicContact CG2-CB 4.46Å; T393-L403 PolarHBondContact N-O 3.36Å; T393-S404 CarbonylContact O-C 3.22Å; T393-S404 VanDerWaalsContact O-CA 3.29Å; T393-S404 WeakPolarHBondContact O-CA 3.37Å; T393-S404 VanDerWaalsContact OG1-CA 3.24Å; T393-S404 WeakPolarHBondContact OG1-CA 3.48Å; T393-S404 PolarHBondContact OG1-N 2.83Å; T393-L405 PolarHBondContact O-N 3.01Å |
| 394 | V | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | trans | -139.6 | 142.2 | 175.4 | 67 | 0 | 0 | 0 | 0 | 110 | R363 F371 C375 A378 V379 F392 L407 | R363-V394 PolarHBondContact O-N 2.81Å; R363-V394 VanDerWaalsContact O-N 3.1Å; F371-V394 HydrophobicContact CD2-CG1 4.19Å; F371-V394 HydrophobicContact CE2-CG1 3.87Å; C375-V394 HydrophobicContact CB-CG2 3.63Å; A378-V394 HydrophobicContact CB-CG2 4.4Å; V379-V394 HydrophobicContact CG2-CG1 4.46Å; F392-V394 HydrophobicContact CD2-CB 4.49Å; F392-V394 HydrophobicContact CE2-CB 4.46Å; F392-V394 HydrophobicContact CE2-CG1 4.45Å; V394-L407 HydrophobicContact CG2-CD2 3.81Å | ||
| 395 | G | 97.3 | Very high | 97.8 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 90.7 | 6.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | K369 | K369-G395 WeakPolarHBondContact CD-O 3.26Š|
| 396 | I | 98.3 | Very high | 97.8 | Very high | 66 Ų | 66 | 59.6 Ų | 59.6 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -135.9 | 166.1 | 174.3 | 65.3 | 170 | 0 | 0 | 0 | 110.4 | K369 T393 D398 S404 V656 | K369-I396 HydrophobicContact CD-CG2 4.32Å; K369-I396 HydrophobicContact CG-CG2 4.31Å; T393-I396 HydrophobicContact CG2-CD1 4.24Å; I396-D398 HydrophobicContact CD1-CB 4.34Å; I396-S404 WeakPolarHBondContact O-CB 3.35Å; I396-V656 HydrophobicContact CD1-CG2 4.25Å |
| 397 | Y | 98 | Very high | 97.8 | Very high | 143 Ų | 143 | 58.8 Ų | 58.8 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | trans | -106.9 | 106.3 | 166.6 | -176.7 | -135 | 0 | 0 | 0 | 110.4 | D399 P655 V656 | Y397-D399 HydrophobicContact CE1-CB 3.99Å; Y397-P655 HydrophobicContact CD1-CB 3.72Å; Y397-P655 HydrophobicContact CE1-CB 4.24Å; Y397-P655 WeakPolarHBondContact O-CA 3.43Å; Y397-V656 PolarHBondContact O-N 2.9Å | ||
| 398 | D | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | trans | -102.3 | 93.1 | 178.5 | 170.9 | 29 | 0 | 0 | 0 | 110.1 | I396 V400 T401 N402 L403 S404 V656 | I396-D398 HydrophobicContact CD1-CB 4.34Å; D398-V400 PolarHBondContact OD1-N 2.81Å; D398-T401 VanDerWaalsContact CG-OG1 3.28Å; D398-T401 PolarHBondContact OD1-N 3.15Å; D398-T401 PolarHBondContact OD1-OG1 3.31Å; D398-T401 WeakPolarHBondContact OD2-CB 3.33Å; D398-T401 PolarHBondContact OD2-OG1 2.98Å; D398-N402 WeakPolarHBondContact O-CA 3.5Å; D398-N402 PolarHBondContact O-N 3.42Å; D398-N402 PolarHBondContact OD2-N 2.88Å; D398-L403 VanDerWaalsContact OD2-CB 3.31Å; D398-L403 WeakPolarHBondContact OD2-CB 3.49Å; D398-L403 PolarHBondContact OD2-N 3.15Å; D398-S404 PolarHBondContact N-OG 3.43Å; D398-V656 HydrophobicContact CB-CG2 3.86Å | ||
| 399 | D | 98.2 | Very high | 97.4 | Very high | 50 Ų | 50 | 59 Ų | 59 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1.5 | 177.3 | 64.2 | -24.8 | 0 | 0 | 0 | 113.6 | Y397 P655 S657 | Y397-D399 HydrophobicContact CE1-CB 3.99Å; D399-P655 WeakPolarHBondContact OD1-CB 3.47Å; D399-S657 VanDerWaalsContact CG-OG 3.29Å; D399-S657 WeakPolarHBondContact OD1-CB 3.27Å; D399-S657 PolarHBondContact OD1-N 3.49Å; D399-S657 PolarHBondContact OD1-OG 3.43Å; D399-S657 WeakPolarHBondContact OD2-CB 3.29Å; D399-S657 PolarHBondContact OD2-OG 2.9Å |
| 400 | V | 98.6 | Very high | 96.9 | Very high | 85 Ų | 85 | 58.4 Ų | 58.4 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -56.4 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | D398 V656 | D398-V400 PolarHBondContact OD1-N 2.81Å; V400-V656 HydrophobicContact CB-CG1 4.15Å; V400-V656 HydrophobicContact CG2-CB 4.16Å; V400-V656 HydrophobicContact CG2-CG1 3.83Å |
| 401 | T | 97.9 | Very high | 96.1 | Very high | 90 Ų | 90 | 59 Ų | 59 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -3.8 | 179.8 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | D398 L403 | D398-T401 VanDerWaalsContact CG-OG1 3.28Å; D398-T401 PolarHBondContact OD1-N 3.15Å; D398-T401 PolarHBondContact OD1-OG1 3.31Å; D398-T401 WeakPolarHBondContact OD2-CB 3.33Å; D398-T401 PolarHBondContact OD2-OG1 2.98Å; T401-L403 PolarHBondContact O-N 3.05Å; T401-L403 WeakPolarHBondContact OG1-CD1 3.47Å |
| 402 | N | 97.7 | Very high | 95.7 | Very high | 99 Ų | 99 | 57.5 Ų | 57.5 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | trans | 55.5 | 32.2 | 177.4 | -63.9 | -77.2 | 0 | 0 | 0 | 113 | K389 D398 | K389-N402 PolarHBondContact NZ-O 3.42Å; D398-N402 WeakPolarHBondContact O-CA 3.5Å; D398-N402 PolarHBondContact O-N 3.42Å; D398-N402 PolarHBondContact OD2-N 2.88Å | ||
| 403 | L | 98.2 | Very high | 95 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 25% | 0.246 | 34% | 0.342 | C | S | . | . | trans | -86.1 | -21 | 179.6 | -63 | 178.2 | 0 | 0 | 0 | 112.7 | F392 T393 D398 T401 | F392-L403 CarbonylContact C-O 3.59Å; F392-L403 WeakPolarHBondContact CA-O 3.21Å; F392-L403 VanDerWaalsContact CB-O 3.26Å; F392-L403 WeakPolarHBondContact CB-O 3.25Å; T393-L403 HydrophobicContact CG2-CB 4.46Å; T393-L403 PolarHBondContact N-O 3.36Å; D398-L403 VanDerWaalsContact OD2-CB 3.31Å; D398-L403 WeakPolarHBondContact OD2-CB 3.49Å; D398-L403 PolarHBondContact OD2-N 3.15Å; T401-L403 PolarHBondContact O-N 3.05Å; T401-L403 WeakPolarHBondContact OG1-CD1 3.47Å | ||
| 404 | S | 98.5 | Very high | 94.1 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 12% | 0.119 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 138.2 | -176.7 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | T393 I396 D398 | T393-S404 CarbonylContact O-C 3.22Å; T393-S404 VanDerWaalsContact O-CA 3.29Å; T393-S404 WeakPolarHBondContact O-CA 3.37Å; T393-S404 VanDerWaalsContact OG1-CA 3.24Å; T393-S404 WeakPolarHBondContact OG1-CA 3.48Å; T393-S404 PolarHBondContact OG1-N 2.83Å; I396-S404 WeakPolarHBondContact O-CB 3.35Å; D398-S404 PolarHBondContact N-OG 3.43Å |
| 405 | L | 98.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 140.5 | 168.6 | -58.9 | -175.7 | 0 | 0 | 0 | 111 | A378 V379 E382 K389 F392 T393 | A378-L405 HydrophobicContact CB-CB 4.15Å; A378-L405 HydrophobicContact CB-CD1 4.42Å; V379-L405 HydrophobicContact CG2-CD1 4.17Å; E382-L405 HydrophobicContact CB-CD1 3.96Å; E382-L405 HydrophobicContact CB-CD2 4.16Å; E382-L405 HydrophobicContact CG-CD1 4.29Å; E382-L405 HydrophobicContact CG-CD2 3.79Å; K389-L405 HydrophobicContact CD-CD2 3.92Å; F392-L405 HydrophobicContact CB-CD2 3.87Å; F392-L405 HydrophobicContact CB-CG 4.01Å; F392-L405 HydrophobicContact CD2-CD1 3.45Å; F392-L405 VanDerWaalsContact CD2-CD1 3.45Å; F392-L405 HydrophobicContact CD2-CD2 4.31Å; F392-L405 HydrophobicContact CD2-CG 3.65Å; F392-L405 HydrophobicContact CE2-CD1 3.63Å; F392-L405 HydrophobicContact CE2-CG 4.34Å; F392-L405 HydrophobicContact CG-CD1 3.98Å; F392-L405 HydrophobicContact CG-CD2 4.12Å; F392-L405 HydrophobicContact CG-CG 3.97Å; F392-L405 HydrophobicContact CZ-CD1 4.3Å; T393-L405 PolarHBondContact O-N 3.01Å |
| 406 | P | 96.8 | Very high | 93.1 | Very high | 105 Ų | 105 | 69.6 Ų | 69.6 | 68% | 0.682 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 134.6 | 170.7 | 29.4 | -33.3 | 0 | 0 | 0 | 110.2 | A378 P408 | A378-P406 WeakPolarHBondContact CB-O 3.31Å; P406-P408 WeakPolarHBondContact O-CD 3.36Å |
| 407 | L | 96.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 71 Ų | 71 | 41% | 0.408 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 119.3 | 179.9 | -58.9 | -179.7 | 0 | 0 | 0 | 110 | C375 A378 V394 | C375-L407 HydrophobicContact CB-CD2 4.47Å; A378-L407 HydrophobicContact CB-CD2 4.13Å; V394-L407 HydrophobicContact CG2-CD2 3.81Å |
| 408 | P | 94.7 | Very high | 92.8 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 36% | 0.357 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 164.6 | 171.7 | 32.4 | -34.8 | 0 | 0 | 0 | 110.9 | D374 L377 P406 N410 | D374-P408 WeakPolarHBondContact CB-O 3.5Å; D374-P408 WeakPolarHBondContact O-CD 3.46Å; L377-P408 HydrophobicContact CB-CG 3.62Å; P406-P408 WeakPolarHBondContact O-CD 3.36Å; P408-N410 PolarHBondContact O-N 2.74Å |
| 409 | E | 89 | Confident | 92.7 | Very high | 168 Ų | 168 | 65.3 Ų | 65.3 | 79% | 0.785 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -60 | 137.7 | 170.7 | -172.6 | 175.8 | -170.9 | 0 | 0 | 110.6 | T411 | E409-T411 PolarHBondContact O-N 2.91Š|
| 410 | N | 87.2 | Confident | 92.7 | Very high | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | trans | -70.8 | 112.4 | 174.3 | -178 | 4.4 | 0 | 0 | 0 | 109.8 | P408 L412 | P408-N410 PolarHBondContact O-N 2.74Å; N410-L412 WeakPolarHBondContact OD1-CB 3.44Å; N410-L412 PolarHBondContact OD1-N 2.72Å | ||
| 411 | T | 81 | Confident | 92.7 | Very high | 71 Ų | 71 | 58.9 Ų | 58.9 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | trans | -103.9 | 10 | -178.7 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | R289 E409 | R289-T411 PolarHBondContact NH1-OG1 2.77Å; R289-T411 PolarHBondContact NH2-O 3.16Å; R289-T411 PolarHBondContact NH2-OG1 3.28Å; E409-T411 PolarHBondContact O-N 2.91Å | ||
| 412 | L | 88.4 | Confident | 92.6 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 140.2 | -178.6 | -86.5 | 70.3 | 0 | 0 | 0 | 111.4 | E281 V282 E285 P373 L377 N410 | E281-L412 HydrophobicContact CB-CD2 4.16Å; V282-L412 HydrophobicContact CG2-CD1 4.02Å; V282-L412 HydrophobicContact CG2-CD2 3.79Å; E285-L412 HydrophobicContact CB-CG 4.08Å; E285-L412 HydrophobicContact CG-CD1 4.37Å; E285-L412 HydrophobicContact CG-CG 4.14Å; P373-L412 HydrophobicContact CB-CD1 3.91Å; P373-L412 HydrophobicContact CB-CD2 3.93Å; P373-L412 HydrophobicContact CB-CG 4.4Å; P373-L412 HydrophobicContact CG-CD2 4.15Å; L377-L412 HydrophobicContact CD1-CD1 4.05Å; N410-L412 WeakPolarHBondContact OD1-CB 3.44Å; N410-L412 PolarHBondContact OD1-N 2.72Å |
| 413 | P | 84.7 | Confident | 92.5 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 139.8 | 172.6 | 28.9 | -33.4 | 0 | 0 | 0 | 110.4 | E285 S415 | E285-P413 VanDerWaalsContact OE2-CD 3.26Å; E285-P413 WeakPolarHBondContact OE2-CD 3.3Å; P413-S415 PolarHBondContact O-N 2.87Å |
| 414 | N | 80.4 | Confident | 92.2 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -79 | 121.2 | 171.2 | -176.1 | 8.1 | 0 | 0 | 0 | 110.5 | A416 E419 K505 | N414-A416 WeakPolarHBondContact OD1-CB 3.17Å; N414-A416 PolarHBondContact OD1-N 2.9Å; N414-E419 PolarHBondContact ND2-OE2 3.24Å; N414-K505 PolarHBondContact ND2-NZ 3.42Å |
| 415 | S | 82.3 | Confident | 91.5 | Very high | 97 Ų | 97 | 48.5 Ų | 48.5 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | trans | -98.1 | -9.6 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 114 | P413 | P413-S415 PolarHBondContact O-N 2.87Š| ||
| 416 | A | 92 | Very high | 90.5 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | trans | -72.2 | 139.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N414 L418 E419 V470 | N414-A416 WeakPolarHBondContact OD1-CB 3.17Å; N414-A416 PolarHBondContact OD1-N 2.9Å; A416-L418 VanDerWaalsContact C-N 3.34Å; A416-E419 HydrophobicContact CB-CG 3.7Å; A416-V470 CarbonylContact C-O 2.95Å | ||
| 417 | K | 92.9 | Very high | 89.3 | Confident | 94 Ų | 94 | 48.8 Ų | 48.8 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -70.7 | -33 | 173.9 | -171.4 | 170.3 | -163.3 | 146.5 | 0 | 112.1 | W447 V470 E472 | K417-W447 HydrophobicContact CD-CD2 4.27Å; K417-W447 HydrophobicContact CD-CE3 4.46Å; K417-W447 HydrophobicContact CD-CH2 4.18Å; K417-W447 HydrophobicContact CD-CZ2 3.99Å; K417-W447 HydrophobicContact CD-CZ3 4.41Å; K417-V470 WeakPolarHBondContact CB-O 3.3Å; K417-V470 PolarHBondContact N-O 3.35Å; K417-E472 HydrophobicContact CD-CG 4.47Å; K417-E472 IonicContact NZ-OE1 2.73Å; K417-E472 PolarHBondContact NZ-OE1 3.36Å |
| 418 | L | 96.3 | Very high | 88.3 | Confident | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 131.5 | 176.2 | 179.1 | 71.4 | 0 | 0 | 0 | 109.5 | A416 L468 R469 V470 D485 F566 T570 I572 | A416-L418 VanDerWaalsContact C-N 3.34Å; L418-L468 HydrophobicContact CD2-CD2 4.38Å; L418-R469 CarbonylContact O-C 3.55Å; L418-R469 WeakPolarHBondContact O-CA 3.49Å; L418-V470 HydrophobicContact CB-CB 4.18Å; L418-V470 HydrophobicContact CB-CG2 4.26Å; L418-V470 HydrophobicContact CD2-CG2 4.36Å; L418-V470 PolarHBondContact N-O 3.22Å; L418-V470 PolarHBondContact O-N 3.37Å; L418-D485 HydrophobicContact CD1-CB 3.91Å; L418-F566 HydrophobicContact CD2-CE2 4.12Å; L418-F566 HydrophobicContact CD2-CZ 3.87Å; L418-T570 HydrophobicContact CD1-CG2 4.21Å; L418-T570 HydrophobicContact CD2-CG2 4.35Å; L418-I572 HydrophobicContact CB-CD1 4.24Å; L418-I572 HydrophobicContact CD2-CB 4.3Å; L418-I572 HydrophobicContact CD2-CD1 4.27Å; L418-I572 HydrophobicContact CD2-CG1 4.1Å |
| 419 | E | 97.4 | Very high | 87.7 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127 | 164.1 | -63.5 | -173.7 | 114.8 | 0 | 0 | 109.6 | N414 A416 L468 R469 I481 D485 F486 K505 | N414-E419 PolarHBondContact ND2-OE2 3.24Å; A416-E419 HydrophobicContact CB-CG 3.7Å; E419-L468 CarbonylContact C-O 3.56Å; E419-L468 WeakPolarHBondContact CA-O 3.29Å; E419-R469 HydrophobicContact CG-CG 4.18Å; E419-R469 IonicContact OE1-CZ 3.24Å; E419-R469 IonicContact OE1-NE 2.69Å; E419-R469 PolarHBondContact OE1-NE 3.09Å; E419-I481 HydrophobicContact CB-CD1 4.04Å; E419-I481 HydrophobicContact CB-CG1 4.39Å; E419-I481 HydrophobicContact CB-CG2 4.01Å; E419-D485 PolarHBondContact N-OD2 3.2Å; E419-D485 PolarHBondContact O-N 3.12Å; E419-F486 PolarHBondContact O-N 3.15Å; E419-K505 WeakPolarHBondContact OE2-CE 3.33Å; E419-K505 IonicContact OE2-NZ 3.76Å; E419-K505 PolarHBondContact OE2-NZ 2.87Å |
| 420 | A | 98 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F422 L468 F486 F566 | A420-F422 HydrophobicContact CB-CE2 3.72Å; A420-F422 HydrophobicContact CB-CZ 3.96Å; A420-L468 HydrophobicContact CB-CB 4.29Å; A420-L468 HydrophobicContact CB-CD2 4.4Å; A420-L468 PolarHBondContact N-O 2.9Å; A420-L468 PolarHBondContact O-N 3.2Å; A420-F486 CarbonylContact C-O 3.57Å; A420-F486 WeakPolarHBondContact CA-O 3.41Å; A420-F486 HydrophobicContact CB-CB 4Å; A420-F486 HydrophobicContact CB-CD1 4.07Å; A420-F486 HydrophobicContact CB-CG 4.45Å; A420-F566 HydrophobicContact CB-CE2 3.95Å |
| 421 | L | 98 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.7 | 173.2 | -66.8 | 174 | 0 | 0 | 0 | 110.1 | Y423 V465 S466 H467 I481 A484 F486 V487 G488 R503 | L421-Y423 HydrophobicContact CB-CE2 4Å; L421-Y423 HydrophobicContact CD1-CE2 4.39Å; L421-V465 HydrophobicContact CD2-CG1 4.22Å; L421-S466 WeakPolarHBondContact CA-O 3.27Å; L421-H467 WeakPolarHBondContact CD2-CE1 3.36Å; L421-H467 WeakPolarHBondContact CD2-ND1 3.42Å; L421-I481 HydrophobicContact CD2-CB 3.97Å; L421-I481 HydrophobicContact CD2-CD1 4.46Å; L421-I481 HydrophobicContact CD2-CG2 4.36Å; L421-I481 HydrophobicContact CG-CB 4.48Å; L421-I481 HydrophobicContact CG-CG2 4.33Å; L421-A484 HydrophobicContact CB-CB 4.4Å; L421-A484 HydrophobicContact CD1-CB 3.88Å; L421-A484 HydrophobicContact CG-CB 3.79Å; L421-F486 PolarHBondContact N-O 3.19Å; L421-V487 HydrophobicContact CB-CG2 4.29Å; L421-V487 HydrophobicContact CD1-CG2 4.36Å; L421-V487 CarbonylContact O-C 3.43Å; L421-V487 WeakPolarHBondContact O-CA 3.38Å; L421-G488 PolarHBondContact O-N 2.9Å; L421-R503 HydrophobicContact CD1-CB 3.83Å; L421-R503 HydrophobicContact CD1-CG 4.48Å |
| 422 | F | 96.7 | Very high | 87.8 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 115.6 | 175.5 | -52.2 | -98.6 | 0 | 0 | 0 | 109.5 | A420 T434 V465 S466 L468 F486 H490 F566 | A420-F422 HydrophobicContact CB-CE2 3.72Å; A420-F422 HydrophobicContact CB-CZ 3.96Å; F422-T434 HydrophobicContact CD2-CG2 3.71Å; F422-T434 HydrophobicContact CE2-CG2 3.73Å; F422-T434 HydrophobicContact CG-CG2 4.5Å; F422-V465 WeakPolarHBondContact O-CA 3.45Å; F422-S466 PolarHBondContact N-O 3.1Å; F422-S466 PolarHBondContact O-N 3.21Å; F422-L468 HydrophobicContact CE2-CB 4.08Å; F422-L468 HydrophobicContact CE2-CD1 4.19Å; F422-F486 HydrophobicContact CD1-CE1 4.05Å; F422-F486 HydrophobicContact CE1-CD1 4.17Å; F422-F486 AromaticContact CE1-CE1 3.64Å; F422-F486 HydrophobicContact CE1-CE1 3.64Å; F422-F486 HydrophobicContact CZ-CD1 4.34Å; F422-F486 HydrophobicContact CZ-CE1 4.25Å; F422-H490 AromaticContact CD1-NE2 3.85Å; F422-F566 HydrophobicContact CE1-CB 4.11Å; F422-F566 AromaticContact CE1-CD2 3.67Å; F422-F566 HydrophobicContact CE1-CD2 3.67Å; F422-F566 HydrophobicContact CE1-CE2 4.25Å; F422-F566 AromaticContact CE1-CG 3.86Å; F422-F566 HydrophobicContact CE1-CG 3.86Å; F422-F566 HydrophobicContact CZ-CD1 4.38Å; F422-F566 AromaticContact CZ-CD2 3.5Å; F422-F566 HydrophobicContact CZ-CD2 3.5Å; F422-F566 VanDerWaalsContact CZ-CD2 3.5Å; F422-F566 HydrophobicContact CZ-CE1 4.47Å; F422-F566 AromaticContact CZ-CE2 3.6Å; F422-F566 HydrophobicContact CZ-CE2 3.6Å; F422-F566 AromaticContact CZ-CG 3.91Å; F422-F566 HydrophobicContact CZ-CG 3.91Å; F422-F566 HydrophobicContact CZ-CZ 4.1Å |
| 423 | Y | 95.3 | Very high | 87.8 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109.3 | 176.2 | -69 | -102.8 | 0 | 0 | 0 | 108.6 | L421 L463 T464 V465 V487 G488 H490 M500 R503 | L421-Y423 HydrophobicContact CB-CE2 4Å; L421-Y423 HydrophobicContact CD1-CE2 4.39Å; Y423-L463 HydrophobicContact CD1-CD1 4.06Å; Y423-T464 WeakPolarHBondContact CA-O 3.48Å; Y423-V465 HydrophobicContact CD1-CG2 3.85Å; Y423-V465 HydrophobicContact CE1-CG1 4.28Å; Y423-V465 HydrophobicContact CE1-CG2 3.81Å; Y423-V465 HydrophobicContact CE2-CG1 4.4Å; Y423-V487 HydrophobicContact CD2-CG1 4.02Å; Y423-V487 HydrophobicContact CE2-CG1 3.87Å; Y423-G488 PolarHBondContact N-O 3.05Å; Y423-H490 WeakPolarHBondContact O-CB 3.34Å; Y423-H490 PolarHBondContact O-N 3.49Å; Y423-M500 HydrophobicContact CD1-CB 4.39Å; Y423-M500 HydrophobicContact CD1-CE 4.21Å; Y423-M500 HydrophobicContact CD2-CB 4.01Å; Y423-M500 HydrophobicContact CE1-CB 4.07Å; Y423-M500 HydrophobicContact CE2-CB 3.64Å; Y423-M500 HydrophobicContact CG-CB 4.38Å; Y423-M500 HydrophobicContact CG-CE 4.18Å; Y423-R503 WeakPolarHBondContact OH-CD 3.38Å |
| 424 | G | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 172.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T464 F494 | G424-T464 PolarHBondContact N-O 3.31Å; G424-T464 PolarHBondContact O-N 3.47Å; G424-T464 PolarHBondContact O-OG1 3.07Å; G424-F494 WeakPolarHBondContact O-CE2 3.39Å |
| 425 | L | 83.9 | Confident | 88.7 | Confident | 24 Ų | 24 | 27.9 Ų | 27.9 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.8 | 177.5 | -165.7 | 69.3 | 0 | 0 | 0 | 110.7 | S427 D428 G461 Q491 F494 | L425-S427 PolarHBondContact O-N 3.06Å; L425-S427 VanDerWaalsContact O-N 3.11Å; L425-D428 HydrophobicContact CB-CB 4.11Å; L425-D428 PolarHBondContact N-OD2 3.23Å; L425-D428 PolarHBondContact O-N 3.1Å; L425-G461 VanDerWaalsContact CD1-C 3.43Å; L425-G461 VanDerWaalsContact CD1-O 3.3Å; L425-G461 WeakPolarHBondContact CD1-O 3.43Å; L425-Q491 HydrophobicContact CB-CG 3.89Å; L425-F494 HydrophobicContact CB-CZ 4.41Å; L425-F494 HydrophobicContact CD1-CE1 4.26Å; L425-F494 HydrophobicContact CD1-CZ 3.87Å |
| 426 | G | 76.7 | Confident | 89.1 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 18% | 0.175 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 121.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G461 G462 | G426-G461 PolarHBondContact O-N 3.47Å; G426-G462 PolarHBondContact N-O 3.19Å |
| 427 | S | 71.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 24.8 Ų | 24.8 | 69% | 0.685 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 8.3 | -177.4 | -48.2 | 0 | 0 | 0 | 0 | 117.8 | L425 | L425-S427 PolarHBondContact O-N 3.06Å; L425-S427 VanDerWaalsContact O-N 3.11Å |
| 428 | D | 76.6 | Confident | 89.2 | Confident | 18 Ų | 18 | 20.3 Ų | 20.3 | 10% | 0.096 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -87.8 | -3.3 | 173.7 | 75 | 3.3 | 0 | 0 | 0 | 114.6 | L425 S430 Q491 | L425-D428 HydrophobicContact CB-CB 4.11Å; L425-D428 PolarHBondContact N-OD2 3.23Å; L425-D428 PolarHBondContact O-N 3.1Å; D428-S430 WeakPolarHBondContact OD1-CB 3.34Å; D428-S430 PolarHBondContact OD1-N 3.24Å; D428-S430 PolarHBondContact OD1-OG 2.86Å; D428-S430 PolarHBondContact OD2-OG 3.49Å; D428-S430 VanDerWaalsContact OD2-OG 3.06Å; D428-Q491 PolarHBondContact OD2-NE2 3.39Å; D428-Q491 VanDerWaalsContact OD2-NE2 3.1Å |
| 429 | G | 81.2 | Confident | 89 | Confident | 22 Ų | 22 | 24 Ų | 24 | 23% | 0.227 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 84.7 | 1.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V431 S432 A433 | G429-V431 PolarHBondContact O-N 3.39Å; G429-S432 PolarHBondContact O-N 3.29Å; G429-A433 PolarHBondContact O-N 3.39Å |
| 430 | S | 85.6 | Confident | 88.7 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.3 | -49.3 | -178.8 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | D428 S432 A433 T434 H490 | D428-S430 WeakPolarHBondContact OD1-CB 3.34Å; D428-S430 PolarHBondContact OD1-N 3.24Å; D428-S430 PolarHBondContact OD1-OG 2.86Å; D428-S430 PolarHBondContact OD2-OG 3.49Å; D428-S430 VanDerWaalsContact OD2-OG 3.06Å; S430-S432 VanDerWaalsContact C-N 3.32Å; S430-S432 PolarHBondContact O-N 3.23Å; S430-A433 PolarHBondContact O-N 3.43Å; S430-T434 PolarHBondContact O-N 2.97Å; S430-T434 PolarHBondContact O-OG1 2.92Å; S430-H490 WeakPolarHBondContact CB-ND1 3.34Å; S430-H490 PolarHBondContact OG-ND1 3.06Å |
| 431 | V | 88.3 | Confident | 88.5 | Confident | 18 Ų | 18 | 23.9 Ų | 23.9 | 11% | 0.109 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 178.2 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | G429 A433 T434 K435 F453 Y455 T464 | G429-V431 PolarHBondContact O-N 3.39Å; V431-A433 VanDerWaalsContact C-N 3.34Å; V431-A433 PolarHBondContact O-N 2.94Å; V431-T434 PolarHBondContact O-N 2.73Å; V431-K435 HydrophobicContact CG1-CD 4.36Å; V431-K435 WeakPolarHBondContact O-CG 3.37Å; V431-K435 PolarHBondContact O-N 3.41Å; V431-F453 HydrophobicContact CG1-CD1 3.77Å; V431-F453 HydrophobicContact CG1-CE1 4.26Å; V431-F453 HydrophobicContact CG1-CG 4.14Å; V431-Y455 HydrophobicContact CB-CE1 4.42Å; V431-Y455 HydrophobicContact CG1-CE1 3.84Å; V431-Y455 VanDerWaalsContact CG1-OH 3.31Å; V431-Y455 WeakPolarHBondContact CG1-OH 3.23Å; V431-Y455 HydrophobicContact CG2-CE1 3.94Å; V431-T464 HydrophobicContact CG2-CG2 4.06Å |
| 432 | S | 86.5 | Confident | 88.2 | Confident | 70 Ų | 70 | 23.9 Ų | 23.9 | 49% | 0.49 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 179.3 | -61 | 0 | 0 | 0 | 0 | 111.7 | G429 S430 K435 N436 | G429-S432 PolarHBondContact O-N 3.29Å; S430-S432 VanDerWaalsContact C-N 3.32Å; S430-S432 PolarHBondContact O-N 3.23Å; S432-K435 PolarHBondContact O-N 3.28Å; S432-N436 PolarHBondContact O-N 3.4Å |
| 433 | A | 88.3 | Confident | 87.9 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 5% | 0.05 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G429 S430 V431 K435 N436 N437 N559 Q563 | G429-A433 PolarHBondContact O-N 3.39Å; S430-A433 PolarHBondContact O-N 3.43Å; V431-A433 VanDerWaalsContact C-N 3.34Å; V431-A433 PolarHBondContact O-N 2.94Å; A433-K435 PolarHBondContact O-N 3.29Å; A433-N436 CarbonylContact O-C 3.54Å; A433-N436 WeakPolarHBondContact O-CA 3.39Å; A433-N436 WeakPolarHBondContact O-CB 3.49Å; A433-N436 PolarHBondContact O-N 2.69Å; A433-N436 VanDerWaalsContact O-N 3.12Å; A433-N437 PolarHBondContact O-N 3.1Å; A433-N437 PolarHBondContact O-OD1 3.02Å; A433-N559 HydrophobicContact CB-CB 4.08Å; A433-Q563 HydrophobicContact CB-CG 4.42Å; A433-Q563 PolarHBondContact O-NE2 3.25Å |
| 434 | T | 91.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 177.1 | -51.2 | 0 | 0 | 0 | 0 | 111.8 | F422 S430 V431 N436 N437 I438 F453 L468 | F422-T434 HydrophobicContact CD2-CG2 3.71Å; F422-T434 HydrophobicContact CE2-CG2 3.73Å; F422-T434 HydrophobicContact CG-CG2 4.5Å; S430-T434 PolarHBondContact O-N 2.97Å; S430-T434 PolarHBondContact O-OG1 2.92Å; V431-T434 PolarHBondContact O-N 2.73Å; T434-N436 PolarHBondContact O-N 3.15Å; T434-N437 WeakPolarHBondContact O-CB 3.06Å; T434-N437 PolarHBondContact O-N 3.39Å; T434-I438 HydrophobicContact CG2-CD1 4.09Å; T434-I438 WeakPolarHBondContact O-CD1 3.44Å; T434-I438 WeakPolarHBondContact O-CG1 3.38Å; T434-I438 PolarHBondContact O-N 3.49Å; T434-F453 HydrophobicContact CG2-CE1 4.09Å; T434-L468 HydrophobicContact CG2-CB 4.47Å; T434-L468 HydrophobicContact CG2-CD1 4.25Å |
| 435 | K | 91.9 | Very high | 87.5 | Confident | 56 Ų | 56 | 31.3 Ų | 31.3 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.1 | -41.6 | 171.7 | -74.8 | -175.3 | 177.1 | -175.4 | 0 | 111.5 | I176 V431 S432 A433 K439 F453 Y455 | I176-K435 HydrophobicContact CD1-CB 4.21Å; I176-K435 HydrophobicContact CD1-CD 4.15Å; I176-K435 HydrophobicContact CD1-CG 3.72Å; V431-K435 HydrophobicContact CG1-CD 4.36Å; V431-K435 WeakPolarHBondContact O-CG 3.37Å; V431-K435 PolarHBondContact O-N 3.41Å; S432-K435 PolarHBondContact O-N 3.28Å; A433-K435 PolarHBondContact O-N 3.29Å; K435-K439 WeakPolarHBondContact O-CG 3.34Å; K435-K439 PolarHBondContact O-N 3.48Å; K435-K439 VanDerWaalsContact O-N 3.14Å; K435-F453 HydrophobicContact CB-CZ 4.25Å; K435-F453 HydrophobicContact CD-CE2 4.23Å; K435-F453 HydrophobicContact CD-CZ 4.21Å; K435-F453 HydrophobicContact CG-CE1 3.73Å; K435-F453 HydrophobicContact CG-CE2 3.67Å; K435-F453 HydrophobicContact CG-CZ 3.2Å; K435-Y455 PolarHBondContact NZ-OH 3.41Å |
| 436 | N | 90.6 | Very high | 87.9 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.1 | -39 | 174.7 | -75.9 | -18.4 | 0 | 0 | 0 | 112.3 | S432 A433 T434 I438 K439 I440 | S432-N436 PolarHBondContact O-N 3.4Å; A433-N436 CarbonylContact O-C 3.54Å; A433-N436 WeakPolarHBondContact O-CA 3.39Å; A433-N436 WeakPolarHBondContact O-CB 3.49Å; A433-N436 PolarHBondContact O-N 2.69Å; A433-N436 VanDerWaalsContact O-N 3.12Å; T434-N436 PolarHBondContact O-N 3.15Å; N436-I438 VanDerWaalsContact C-N 3.33Å; N436-I438 PolarHBondContact O-N 3.39Å; N436-K439 PolarHBondContact O-N 3.11Å; N436-I440 WeakPolarHBondContact O-CB 3.21Å; N436-I440 VanDerWaalsContact O-CG1 3.29Å; N436-I440 WeakPolarHBondContact O-CG1 3.27Å; N436-I440 PolarHBondContact O-N 3.42Å |
| 437 | N | 92.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.2 | -48.4 | 174.1 | -67.6 | -8.6 | 0 | 0 | 0 | 111.3 | A433 T434 K439 I440 I441 L468 Q563 F566 F567 | A433-N437 PolarHBondContact O-N 3.1Å; A433-N437 PolarHBondContact O-OD1 3.02Å; T434-N437 WeakPolarHBondContact O-CB 3.06Å; T434-N437 PolarHBondContact O-N 3.39Å; N437-K439 VanDerWaalsContact C-N 3.33Å; N437-K439 PolarHBondContact O-N 3.25Å; N437-I440 PolarHBondContact O-N 2.95Å; N437-I441 WeakPolarHBondContact O-CB 3.46Å; N437-I441 VanDerWaalsContact O-CG1 3.27Å; N437-I441 WeakPolarHBondContact O-CG1 3.25Å; N437-I441 PolarHBondContact O-N 2.92Å; N437-L468 HydrophobicContact CB-CD1 4.06Å; N437-Q563 VanDerWaalsContact OD1-CD 3.25Å; N437-Q563 WeakPolarHBondContact OD1-CG 2.87Å; N437-Q563 PolarHBondContact OD1-NE2 3.2Å; N437-F566 HydrophobicContact CB-CE1 4.25Å; N437-F566 WeakPolarHBondContact ND2-CD1 3.46Å; N437-F567 HydrophobicContact CB-CE2 4.31Å; N437-F567 HydrophobicContact CB-CZ 4.25Å; N437-F567 WeakPolarHBondContact OD1-CE2 3.22Å |
| 438 | I | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 179.3 | -65.4 | 149.8 | 0 | 0 | 0 | 110.5 | T3 I176 T434 N436 G442 A449 G451 F453 L468 | T3-I438 HydrophobicContact CG2-CG2 3.89Å; I176-I438 HydrophobicContact CB-CG2 4.31Å; I176-I438 HydrophobicContact CG2-CG2 3.62Å; T434-I438 HydrophobicContact CG2-CD1 4.09Å; T434-I438 WeakPolarHBondContact O-CD1 3.44Å; T434-I438 WeakPolarHBondContact O-CG1 3.38Å; T434-I438 PolarHBondContact O-N 3.49Å; N436-I438 VanDerWaalsContact C-N 3.33Å; N436-I438 PolarHBondContact O-N 3.39Å; I438-G442 WeakPolarHBondContact O-CA 3.33Å; I438-G442 PolarHBondContact O-N 3.33Å; I438-A449 HydrophobicContact CG2-CB 4.06Å; I438-G451 VanDerWaalsContact CD1-CA 3.41Å; I438-F453 HydrophobicContact CD1-CE1 4.2Å; I438-F453 HydrophobicContact CD1-CZ 3.57Å; I438-L468 HydrophobicContact CG1-CD1 3.75Å; I438-L468 HydrophobicContact CG1-CG 3.91Å |
| 439 | K | 91.8 | Very high | 90.8 | Very high | 90 Ų | 90 | 34.1 Ų | 34.1 | 39% | 0.391 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 177.6 | -72.3 | 176 | -179.5 | -179.3 | 0 | 112.5 | T3 K435 N436 N437 N443 | T3-K439 HydrophobicContact CG2-CG 4.25Å; K435-K439 WeakPolarHBondContact O-CG 3.34Å; K435-K439 PolarHBondContact O-N 3.48Å; K435-K439 VanDerWaalsContact O-N 3.14Å; N436-K439 PolarHBondContact O-N 3.11Å; N437-K439 VanDerWaalsContact C-N 3.33Å; N437-K439 PolarHBondContact O-N 3.25Å; K439-N443 WeakPolarHBondContact O-CB 3.27Å; K439-N443 PolarHBondContact O-N 2.94Å; K439-N443 PolarHBondContact O-ND2 3.36Å; K439-N443 VanDerWaalsContact O-ND2 3.15Å |
| 440 | I | 91.5 | Very high | 91.5 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -52.7 | 178.1 | -70.8 | 166.4 | 0 | 0 | 0 | 109.7 | N436 N437 G442 N443 S444 F567 L573 E581 L582 A585 | N436-I440 WeakPolarHBondContact O-CB 3.21Å; N436-I440 VanDerWaalsContact O-CG1 3.29Å; N436-I440 WeakPolarHBondContact O-CG1 3.27Å; N436-I440 PolarHBondContact O-N 3.42Å; N437-I440 PolarHBondContact O-N 2.95Å; I440-G442 PolarHBondContact O-N 2.98Å; I440-N443 PolarHBondContact O-N 2.87Å; I440-S444 VanDerWaalsContact O-CB 3.27Å; I440-S444 WeakPolarHBondContact O-CB 3.28Å; I440-S444 PolarHBondContact O-N 3.26Å; I440-S444 PolarHBondContact O-OG 2.91Å; I440-F567 HydrophobicContact CB-CZ 4.25Å; I440-F567 HydrophobicContact CG2-CE1 4.44Å; I440-F567 HydrophobicContact CG2-CZ 3.96Å; I440-L573 HydrophobicContact CG2-CD1 3.96Å; I440-E581 HydrophobicContact CG2-CB 3.76Å; I440-E581 HydrophobicContact CG2-CG 4.28Å; I440-L582 HydrophobicContact CD1-CD2 3.75Å; I440-L582 HydrophobicContact CD1-CG 4.44Å; I440-A585 HydrophobicContact CD1-CB 4.13Å |
| 441 | I | 93.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 179.3 | -64.3 | 164.9 | 0 | 0 | 0 | 110.4 | N437 N443 T445 A449 L468 V470 F566 F567 I572 | N437-I441 WeakPolarHBondContact O-CB 3.46Å; N437-I441 VanDerWaalsContact O-CG1 3.27Å; N437-I441 WeakPolarHBondContact O-CG1 3.25Å; N437-I441 PolarHBondContact O-N 2.92Å; I441-N443 VanDerWaalsContact C-N 3.35Å; I441-N443 PolarHBondContact O-N 3.49Å; I441-T445 WeakPolarHBondContact O-CB 3.37Å; I441-T445 WeakPolarHBondContact O-CG2 3.41Å; I441-T445 PolarHBondContact O-N 3.47Å; I441-T445 PolarHBondContact O-OG1 3.18Å; I441-A449 HydrophobicContact CG2-CB 4.47Å; I441-L468 HydrophobicContact CD1-CD1 4.38Å; I441-V470 HydrophobicContact CD1-CG2 4.25Å; I441-V470 HydrophobicContact CG2-CG1 3.96Å; I441-V470 HydrophobicContact CG2-CG2 3.93Å; I441-F566 HydrophobicContact CD1-CE1 4.17Å; I441-F566 HydrophobicContact CD1-CZ 4.38Å; I441-F567 HydrophobicContact CD1-CE1 4.09Å; I441-F567 HydrophobicContact CD1-CZ 4.34Å; I441-F567 HydrophobicContact CG1-CE1 3.75Å; I441-F567 HydrophobicContact CG1-CZ 4.05Å; I441-I572 HydrophobicContact CD1-CG2 4.19Å; I441-I572 HydrophobicContact CG1-CG2 4.4Å |
| 442 | G | 91.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -36.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K178 I438 I440 | K178-G442 WeakPolarHBondContact CD-O 3.32Å; K178-G442 WeakPolarHBondContact CE-O 3.25Å; K178-G442 PolarHBondContact NZ-O 3.26Å; I438-G442 WeakPolarHBondContact O-CA 3.33Å; I438-G442 PolarHBondContact O-N 3.33Å; I440-G442 PolarHBondContact O-N 2.98Å |
| 443 | N | 90.1 | Very high | 92.9 | Very high | 100 Ų | 100 | 30 Ų | 30 | 54% | 0.535 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -89.3 | -29.3 | -176.4 | -62.8 | -19.1 | 0 | 0 | 0 | 113.4 | T3 K439 I440 I441 | T3-N443 PolarHBondContact OG1-OD1 3.17Å; K439-N443 WeakPolarHBondContact O-CB 3.27Å; K439-N443 PolarHBondContact O-N 2.94Å; K439-N443 PolarHBondContact O-ND2 3.36Å; K439-N443 VanDerWaalsContact O-ND2 3.15Å; I440-N443 PolarHBondContact O-N 2.87Å; I441-N443 VanDerWaalsContact C-N 3.35Å; I441-N443 PolarHBondContact O-N 3.49Å |
| 444 | S | 88.4 | Confident | 93 | Very high | 49 Ų | 49 | 32.3 Ų | 32.3 | 34% | 0.343 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -96.2 | -3.7 | -176.6 | -55.4 | 0 | 0 | 0 | 0 | 113.9 | I440 E581 | I440-S444 VanDerWaalsContact O-CB 3.27Å; I440-S444 WeakPolarHBondContact O-CB 3.28Å; I440-S444 PolarHBondContact O-N 3.26Å; I440-S444 PolarHBondContact O-OG 2.91Å; S444-E581 WeakPolarHBondContact CB-OE1 3.29Å; S444-E581 PolarHBondContact OG-OE1 2.99Å; S444-E581 PolarHBondContact OG-OE2 2.93Å |
| 445 | T | 90.7 | Very high | 92.5 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -128.6 | 160.3 | 178.5 | 76.1 | 0 | 0 | 0 | 0 | 111.6 | K178 I441 W447 L573 | K178-T445 PolarHBondContact NZ-O 2.89Å; I441-T445 WeakPolarHBondContact O-CB 3.37Å; I441-T445 WeakPolarHBondContact O-CG2 3.41Å; I441-T445 PolarHBondContact O-N 3.47Å; I441-T445 PolarHBondContact O-OG1 3.18Å; T445-W447 HydrophobicContact CG2-CE3 3.94Å; T445-W447 HydrophobicContact CG2-CZ3 4.1Å; T445-W447 PolarHBondContact O-N 3.25Å; T445-W447 PolarHBondContact OG1-N 3.07Å; T445-L573 HydrophobicContact CG2-CD2 3.46Å; T445-L573 VanDerWaalsContact CG2-CD2 3.46Å |
| 446 | P | 91.4 | Very high | 91.8 | Very high | 104 Ų | 104 | 35.3 Ų | 35.3 | 68% | 0.675 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -71.7 | -12.4 | 171.4 | 29.4 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 447 | W | 94.2 | Very high | 90.7 | Very high | 50 Ų | 50 | 35 Ų | 35 | 19% | 0.189 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -69.1 | 157.6 | -174.3 | -54.4 | -33.8 | 0 | 0 | 0 | 112.9 | K178 K417 T445 V470 S471 I572 | K178-W447 WeakPolarHBondContact CD-O 3.18Å; K178-W447 PolarHBondContact NZ-O 3.28Å; K417-W447 HydrophobicContact CD-CD2 4.27Å; K417-W447 HydrophobicContact CD-CE3 4.46Å; K417-W447 HydrophobicContact CD-CH2 4.18Å; K417-W447 HydrophobicContact CD-CZ2 3.99Å; K417-W447 HydrophobicContact CD-CZ3 4.41Å; T445-W447 HydrophobicContact CG2-CE3 3.94Å; T445-W447 HydrophobicContact CG2-CZ3 4.1Å; T445-W447 PolarHBondContact O-N 3.25Å; T445-W447 PolarHBondContact OG1-N 3.07Å; W447-V470 HydrophobicContact CB-CG1 3.85Å; W447-V470 HydrophobicContact CD2-CG1 4.22Å; W447-V470 HydrophobicContact CE3-CG1 3.74Å; W447-V470 HydrophobicContact CG-CG1 4.31Å; W447-S471 WeakPolarHBondContact CB-O 3.48Å; W447-I572 HydrophobicContact CE3-CD1 4.26Å; W447-I572 HydrophobicContact CH2-CD1 4.29Å; W447-I572 WeakPolarHBondContact CH2-O 3.27Å; W447-I572 HydrophobicContact CZ3-CD1 3.61Å; W447-I572 HydrophobicContact CZ3-CG1 3.9Å; W447-I572 VanDerWaalsContact CZ3-O 3.26Å; W447-I572 WeakPolarHBondContact CZ3-O 3.38Å |
| 448 | Y | 95.7 | Very high | 89.8 | Confident | 61 Ų | 61 | 35.8 Ų | 35.8 | 24% | 0.239 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 135.1 | 168 | -64.6 | -90.3 | 0 | 0 | 0 | 108.9 | M1 V470 S471 Q473 P474 | M1-Y448 HydrophobicContact SD-CE1 4.48Å; Y448-V470 WeakPolarHBondContact O-CA 3.38Å; Y448-S471 PolarHBondContact N-O 2.97Å; Y448-S471 PolarHBondContact O-N 3.48Å; Y448-Q473 WeakPolarHBondContact CD2-O 3.43Å; Y448-P474 HydrophobicContact CE1-CB 4.38Å; Y448-P474 HydrophobicContact CE1-CG 4.13Å; Y448-P474 HydrophobicContact CE2-CG 3.94Å |
| 449 | A | 96.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | K178 I438 I441 R469 | K178-A449 PolarHBondContact N-O 2.99Å; I438-A449 HydrophobicContact CG2-CB 4.06Å; I441-A449 HydrophobicContact CG2-CB 4.47Å; A449-R469 WeakPolarHBondContact CA-O 3.47Å |
| 450 | Q | 97.5 | Very high | 87.6 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140.4 | 177 | -172.3 | -163.6 | 46.7 | 0 | 0 | 109.4 | E175 I176 L468 R469 I475 S477 | E175-Q450 HydrophobicContact CG-CG 3.93Å; E175-Q450 PolarHBondContact OE1-NE2 3.03Å; E175-Q450 VanDerWaalsContact OE1-NE2 3.16Å; E175-Q450 PolarHBondContact OE2-NE2 2.9Å; I176-Q450 CarbonylContact O-C 3.54Å; I176-Q450 VanDerWaalsContact O-CA 3.27Å; I176-Q450 WeakPolarHBondContact O-CA 3.34Å; Q450-L468 WeakPolarHBondContact O-CA 3.42Å; Q450-R469 HydrophobicContact CB-CB 4.24Å; Q450-R469 PolarHBondContact N-O 3.44Å; Q450-R469 PolarHBondContact O-N 3.35Å; Q450-I475 HydrophobicContact CB-CB 4.36Å; Q450-I475 HydrophobicContact CB-CD1 3.7Å; Q450-I475 HydrophobicContact CB-CG2 4.1Å; Q450-I475 HydrophobicContact CG-CG2 4.36Å; Q450-S477 PolarHBondContact NE2-O 2.87Å |
| 451 | G | 96.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E175 I176 I438 H467 | E175-G451 CarbonylContact C-O 3.49Å; E175-G451 WeakPolarHBondContact CA-O 3.48Å; I176-G451 PolarHBondContact N-O 2.78Å; I176-G451 PolarHBondContact O-N 3.39Å; I438-G451 VanDerWaalsContact CD1-CA 3.41Å; G451-H467 CarbonylContact C-O 3.6Å; G451-H467 WeakPolarHBondContact CA-O 3.34Å |
| 452 | Y | 97.3 | Very high | 86 | Confident | 16 Ų | 16 | 34.2 Ų | 34.2 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.8 | 170.9 | -173.1 | -95.8 | 0 | 0 | 0 | 110 | F170 E175 V454 H467 L480 | F170-Y452 HydrophobicContact CB-CE2 4.42Å; E175-Y452 HydrophobicContact CB-CD2 4.47Å; Y452-V454 HydrophobicContact CD1-CG2 4.16Å; Y452-V454 HydrophobicContact CE1-CG2 3.88Å; Y452-H467 PolarHBondContact N-O 2.79Å; Y452-H467 PolarHBondContact O-N 3.32Å; Y452-L480 HydrophobicContact CD1-CD2 3.42Å; Y452-L480 VanDerWaalsContact CD1-CD2 3.42Å; Y452-L480 HydrophobicContact CE1-CD2 3.61Å |
| 453 | F | 93.8 | Very high | 85.8 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 117.8 | -172 | -50.5 | -83.3 | 0 | 0 | 0 | 109.6 | I176 V431 T434 K435 I438 Y455 S466 | I176-F453 HydrophobicContact CD1-CE2 3.68Å; I176-F453 HydrophobicContact CD1-CZ 3.99Å; I176-F453 HydrophobicContact CG1-CE2 4.11Å; V431-F453 HydrophobicContact CG1-CD1 3.77Å; V431-F453 HydrophobicContact CG1-CE1 4.26Å; V431-F453 HydrophobicContact CG1-CG 4.14Å; T434-F453 HydrophobicContact CG2-CE1 4.09Å; K435-F453 HydrophobicContact CB-CZ 4.25Å; K435-F453 HydrophobicContact CD-CE2 4.23Å; K435-F453 HydrophobicContact CD-CZ 4.21Å; K435-F453 HydrophobicContact CG-CE1 3.73Å; K435-F453 HydrophobicContact CG-CE2 3.67Å; K435-F453 HydrophobicContact CG-CZ 3.2Å; I438-F453 HydrophobicContact CD1-CE1 4.2Å; I438-F453 HydrophobicContact CD1-CZ 3.57Å; F453-Y455 HydrophobicContact CB-CD2 4.35Å; F453-Y455 HydrophobicContact CB-CE1 4.36Å; F453-Y455 HydrophobicContact CB-CE2 3.58Å; F453-Y455 WeakPolarHBondContact O-CD2 3.34Å; F453-S466 WeakPolarHBondContact CD1-OG 3.4Å |
| 454 | V | 91.2 | Very high | 85.8 | Confident | 54 Ų | 54 | 31.2 Ų | 31.2 | 33% | 0.327 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.7 | 172.4 | -177 | 0 | 0 | 0 | 0 | 107.4 | Y452 T464 V465 L480 | Y452-V454 HydrophobicContact CD1-CG2 4.16Å; Y452-V454 HydrophobicContact CE1-CG2 3.88Å; V454-T464 WeakPolarHBondContact O-CA 3.39Å; V454-V465 HydrophobicContact CB-CB 4.31Å; V454-V465 PolarHBondContact N-O 3.34Å; V454-V465 PolarHBondContact O-N 3.12Å; V454-L480 HydrophobicContact CG2-CD1 4.24Å; V454-L480 HydrophobicContact CG2-CD2 3.72Å |
| 455 | Y | 81.7 | Confident | 86.1 | Confident | 73 Ų | 73 | 29.5 Ų | 29.5 | 29% | 0.286 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.7 | 176.3 | -56.4 | -85.5 | 0 | 0 | 0 | 109.5 | V431 K435 F453 T464 | V431-Y455 HydrophobicContact CB-CE1 4.42Å; V431-Y455 HydrophobicContact CG1-CE1 3.84Å; V431-Y455 VanDerWaalsContact CG1-OH 3.31Å; V431-Y455 WeakPolarHBondContact CG1-OH 3.23Å; V431-Y455 HydrophobicContact CG2-CE1 3.94Å; K435-Y455 PolarHBondContact NZ-OH 3.41Å; F453-Y455 HydrophobicContact CB-CD2 4.35Å; F453-Y455 HydrophobicContact CB-CE1 4.36Å; F453-Y455 HydrophobicContact CB-CE2 3.58Å; F453-Y455 WeakPolarHBondContact O-CD2 3.34Å; Y455-T464 HydrophobicContact CD1-CG2 4.12Å |
| 456 | D | 76.4 | Confident | 86.4 | Confident | 49 Ų | 49 | 28.6 Ų | 28.6 | 26% | 0.262 | 15% | 0.153 | S | C | . | . | trans | -69.9 | 144.6 | 156.9 | -171.2 | -19.9 | 0 | 0 | 0 | 108.8 | K458 G462 L463 | D456-K458 PolarHBondContact O-N 3.25Å; D456-K458 WeakPolarHBondContact OD1-CG 3.35Å; D456-K458 PolarHBondContact OD1-N 2.91Å; D456-G462 VanDerWaalsContact OD2-CA 3.26Å; D456-G462 WeakPolarHBondContact OD2-CA 3.32Å; D456-L463 VanDerWaalsContact CB-O 3.27Å; D456-L463 WeakPolarHBondContact CB-O 3.38Å; D456-L463 PolarHBondContact N-O 3.34Å; D456-L463 PolarHBondContact OD2-N 3.07Å | ||
| 457 | S | 68.4 | Low | 86.7 | Confident | 44 Ų | 44 | 23.9 Ų | 23.9 | 31% | 0.308 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -73.6 | -11.1 | 176 | 32 | 0 | 0 | 0 | 0 | 113.1 | K459 I850 N854 | S457-K459 PolarHBondContact O-N 3.35Å; S457-I850 WeakPolarHBondContact O-CG2 3.44Å; S457-N854 WeakPolarHBondContact CB-ND2 3.34Å; S457-N854 WeakPolarHBondContact CB-OD1 3.48Å; S457-N854 PolarHBondContact OG-ND2 3.38Å; S457-N854 PolarHBondContact OG-OD1 3.12Å |
| 458 | K | 74.1 | Confident | 86.9 | Confident | 20 Ų | 20 | 21.6 Ų | 21.6 | 9% | 0.087 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -61.1 | 126.6 | 167.6 | -68.9 | 173.8 | -171.3 | 160.1 | 0 | 110.5 | D456 A460 E673 | D456-K458 PolarHBondContact O-N 3.25Å; D456-K458 WeakPolarHBondContact OD1-CG 3.35Å; D456-K458 PolarHBondContact OD1-N 2.91Å; K458-A460 VanDerWaalsContact C-N 3.26Å; K458-A460 PolarHBondContact O-N 3.25Å; K458-E673 IonicContact NZ-OE1 2.63Å; K458-E673 PolarHBondContact NZ-OE1 2.72Å; K458-E673 IonicContact NZ-OE2 3.39Å; K458-E673 PolarHBondContact NZ-OE2 2.77Å |
| 459 | K | 69.5 | Low | 87 | Confident | 41 Ų | 41 | 18.9 Ų | 18.9 | 18% | 0.178 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -58.8 | -36.3 | -177.5 | -65.6 | -165.4 | 112.7 | -139.7 | 0 | 113 | S457 G817 C847 I850 S995 N996 | S457-K459 PolarHBondContact O-N 3.35Å; K459-G817 PolarHBondContact N-O 2.78Å; K459-C847 HydrophobicContact CD-CB 4.35Å; K459-C847 WeakPolarHBondContact CE-SG 3.22Å; K459-C847 PolarHBondContact NZ-SG 3.11Å; K459-I850 HydrophobicContact CG-CG2 4.27Å; K459-S995 PolarHBondContact NZ-O 3.34Å; K459-N996 WeakPolarHBondContact CE-OD1 3.34Å |
| 460 | A | 69.8 | Low | 87 | Confident | 15 Ų | 15 | 18.9 Ų | 18.9 | 12% | 0.124 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -138.7 | 147.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K458 G462 R675 C819 | K458-A460 VanDerWaalsContact C-N 3.26Å; K458-A460 PolarHBondContact O-N 3.25Å; A460-G462 PolarHBondContact O-N 3.17Å; A460-R675 PolarHBondContact O-NH2 2.63Å; A460-C819 HydrophobicContact CB-CB 4.28Å |
| 461 | G | 70.6 | Confident | 86.9 | Confident | 11 Ų | 11 | 19 Ų | 19 | 11% | 0.113 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 67.1 | 17.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | L425 G426 R675 | L425-G461 VanDerWaalsContact CD1-C 3.43Å; L425-G461 VanDerWaalsContact CD1-O 3.3Å; L425-G461 WeakPolarHBondContact CD1-O 3.43Å; G426-G461 PolarHBondContact O-N 3.47Å; G461-R675 PolarHBondContact O-NH2 2.65Å |
| 462 | G | 79.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | trans | -82.1 | 164.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G426 D456 A460 | G426-G462 PolarHBondContact N-O 3.19Å; D456-G462 VanDerWaalsContact OD2-CA 3.26Å; D456-G462 WeakPolarHBondContact OD2-CA 3.32Å; A460-G462 PolarHBondContact O-N 3.17Å | ||
| 463 | L | 88 | Confident | 86.5 | Confident | 30 Ų | 30 | 30 Ų | 30 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 139.7 | 174.9 | 175.1 | 66 | 0 | 0 | 0 | 110.3 | Y423 D456 V465 F494 Y498 | Y423-L463 HydrophobicContact CD1-CD1 4.06Å; D456-L463 VanDerWaalsContact CB-O 3.27Å; D456-L463 WeakPolarHBondContact CB-O 3.38Å; D456-L463 PolarHBondContact N-O 3.34Å; D456-L463 PolarHBondContact OD2-N 3.07Å; L463-V465 HydrophobicContact CD1-CG2 4.22Å; L463-V465 HydrophobicContact CD2-CG2 3.87Å; L463-V465 HydrophobicContact CG-CG2 3.95Å; L463-F494 HydrophobicContact CD1-CD2 3.97Å; L463-F494 HydrophobicContact CD1-CE2 3.55Å; L463-F494 HydrophobicContact CD1-CZ 3.94Å; L463-Y498 HydrophobicContact CD1-CD2 4.43Å; L463-Y498 HydrophobicContact CD1-CE2 4.11Å; L463-Y498 HydrophobicContact CD2-CD1 3.98Å; L463-Y498 HydrophobicContact CD2-CD2 4.42Å; L463-Y498 HydrophobicContact CD2-CE1 3.68Å; L463-Y498 HydrophobicContact CD2-CE2 4.14Å; L463-Y498 HydrophobicContact CD2-CG 4.34Å; L463-Y498 HydrophobicContact CG-CE2 4.49Å |
| 464 | T | 91.1 | Very high | 86.4 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.1 | 165.2 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | Y423 G424 V431 V454 Y455 | Y423-T464 WeakPolarHBondContact CA-O 3.48Å; G424-T464 PolarHBondContact N-O 3.31Å; G424-T464 PolarHBondContact O-N 3.47Å; G424-T464 PolarHBondContact O-OG1 3.07Å; V431-T464 HydrophobicContact CG2-CG2 4.06Å; V454-T464 WeakPolarHBondContact O-CA 3.39Å; Y455-T464 HydrophobicContact CD1-CG2 4.12Å |
| 465 | V | 94.9 | Very high | 86.6 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 111.7 | 174.6 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | L421 F422 Y423 V454 L463 H467 | L421-V465 HydrophobicContact CD2-CG1 4.22Å; F422-V465 WeakPolarHBondContact O-CA 3.45Å; Y423-V465 HydrophobicContact CD1-CG2 3.85Å; Y423-V465 HydrophobicContact CE1-CG1 4.28Å; Y423-V465 HydrophobicContact CE1-CG2 3.81Å; Y423-V465 HydrophobicContact CE2-CG1 4.4Å; V454-V465 HydrophobicContact CB-CB 4.31Å; V454-V465 PolarHBondContact N-O 3.34Å; V454-V465 PolarHBondContact O-N 3.12Å; L463-V465 HydrophobicContact CD1-CG2 4.22Å; L463-V465 HydrophobicContact CD2-CG2 3.87Å; L463-V465 HydrophobicContact CG-CG2 3.95Å; V465-H467 PolarHBondContact O-CD2 3.01Å |
| 466 | S | 96.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130.5 | 175 | -50.7 | 0 | 0 | 0 | 0 | 110 | L421 F422 F453 | L421-S466 WeakPolarHBondContact CA-O 3.27Å; F422-S466 PolarHBondContact N-O 3.1Å; F422-S466 PolarHBondContact O-N 3.21Å; F453-S466 WeakPolarHBondContact CD1-OG 3.4Å |
| 467 | H | 97.8 | Very high | 88.1 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.023 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.5 | 176.7 | -64.4 | -100.6 | 0 | 0 | 0 | 109.1 | L421 G451 Y452 V465 I481 | L421-H467 WeakPolarHBondContact CD2-CE1 3.36Å; L421-H467 WeakPolarHBondContact CD2-ND1 3.42Å; G451-H467 CarbonylContact C-O 3.6Å; G451-H467 WeakPolarHBondContact CA-O 3.34Å; Y452-H467 PolarHBondContact N-O 2.79Å; Y452-H467 PolarHBondContact O-N 3.32Å; V465-H467 PolarHBondContact O-CD2 3.01Å; H467-I481 HydrophobicContact CB-CD1 3.96Å; H467-I481 HydrophobicContact CB-CG1 4.37Å; H467-I481 PolarHBondContact ND1-N 3.37Å; H467-I481 VanDerWaalsContact ND1-N 3.14Å |
| 468 | L | 97.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.7 | 179.9 | -179.7 | 162.9 | 0 | 0 | 0 | 109.4 | L418 E419 A420 F422 T434 N437 I438 I441 Q450 V470 I481 F566 | L418-L468 HydrophobicContact CD2-CD2 4.38Å; E419-L468 CarbonylContact C-O 3.56Å; E419-L468 WeakPolarHBondContact CA-O 3.29Å; A420-L468 HydrophobicContact CB-CB 4.29Å; A420-L468 HydrophobicContact CB-CD2 4.4Å; A420-L468 PolarHBondContact N-O 2.9Å; A420-L468 PolarHBondContact O-N 3.2Å; F422-L468 HydrophobicContact CE2-CB 4.08Å; F422-L468 HydrophobicContact CE2-CD1 4.19Å; T434-L468 HydrophobicContact CG2-CB 4.47Å; T434-L468 HydrophobicContact CG2-CD1 4.25Å; N437-L468 HydrophobicContact CB-CD1 4.06Å; I438-L468 HydrophobicContact CG1-CD1 3.75Å; I438-L468 HydrophobicContact CG1-CG 3.91Å; I441-L468 HydrophobicContact CD1-CD1 4.38Å; Q450-L468 WeakPolarHBondContact O-CA 3.42Å; L468-V470 HydrophobicContact CD2-CG2 3.61Å; L468-I481 VanDerWaalsContact O-CD1 3.28Å; L468-I481 WeakPolarHBondContact O-CD1 3.42Å; L468-F566 HydrophobicContact CD1-CZ 4.3Å |
| 469 | R | 97.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.2 | 168.9 | -59.2 | -166.2 | 176.1 | 92.8 | -5.4 | 111 | L418 E419 A449 Q450 I475 S477 Y479 L480 I481 | L418-R469 CarbonylContact O-C 3.55Å; L418-R469 WeakPolarHBondContact O-CA 3.49Å; E419-R469 HydrophobicContact CG-CG 4.18Å; E419-R469 IonicContact OE1-CZ 3.24Å; E419-R469 IonicContact OE1-NE 2.69Å; E419-R469 PolarHBondContact OE1-NE 3.09Å; A449-R469 WeakPolarHBondContact CA-O 3.47Å; Q450-R469 HydrophobicContact CB-CB 4.24Å; Q450-R469 PolarHBondContact N-O 3.44Å; Q450-R469 PolarHBondContact O-N 3.35Å; R469-I475 HydrophobicContact CB-CD1 4.02Å; R469-S477 PolarHBondContact NH1-O 2.97Å; R469-Y479 PolarHBondContact NH1-O 3.05Å; R469-Y479 PolarHBondContact NH2-O 3.42Å; R469-L480 PolarHBondContact NH2-O 3.48Å; R469-I481 HydrophobicContact CG-CD1 3.9Å; R469-I481 HydrophobicContact CG-CG1 4.08Å |
| 470 | V | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131.2 | 169.7 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | A416 K417 L418 I441 W447 Y448 L468 | A416-V470 CarbonylContact C-O 2.95Å; K417-V470 WeakPolarHBondContact CB-O 3.3Å; K417-V470 PolarHBondContact N-O 3.35Å; L418-V470 HydrophobicContact CB-CB 4.18Å; L418-V470 HydrophobicContact CB-CG2 4.26Å; L418-V470 HydrophobicContact CD2-CG2 4.36Å; L418-V470 PolarHBondContact N-O 3.22Å; L418-V470 PolarHBondContact O-N 3.37Å; I441-V470 HydrophobicContact CD1-CG2 4.25Å; I441-V470 HydrophobicContact CG2-CG1 3.96Å; I441-V470 HydrophobicContact CG2-CG2 3.93Å; W447-V470 HydrophobicContact CB-CG1 3.85Å; W447-V470 HydrophobicContact CD2-CG1 4.22Å; W447-V470 HydrophobicContact CE3-CG1 3.74Å; W447-V470 HydrophobicContact CG-CG1 4.31Å; Y448-V470 WeakPolarHBondContact O-CA 3.38Å; L468-V470 HydrophobicContact CD2-CG2 3.61Å |
| 471 | S | 95.5 | Very high | 93 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 152.7 | 179.3 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | W447 Y448 Q473 | W447-S471 WeakPolarHBondContact CB-O 3.48Å; Y448-S471 PolarHBondContact N-O 2.97Å; Y448-S471 PolarHBondContact O-N 3.48Å; S471-Q473 VanDerWaalsContact C-N 3.27Å; S471-Q473 VanDerWaalsContact CB-O 3.31Å; S471-Q473 WeakPolarHBondContact CB-O 3.18Å; S471-Q473 PolarHBondContact OG-N 3.32Å; S471-Q473 PolarHBondContact OG-O 2.81Å |
| 472 | E | 93.5 | Very high | 94 | Very high | 113 Ų | 113 | 32.3 Ų | 32.3 | 53% | 0.528 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -77.2 | -20.1 | 172.1 | -59.3 | -171.9 | 173.4 | 0 | 0 | 111.7 | K417 | K417-E472 HydrophobicContact CD-CG 4.47Å; K417-E472 IonicContact NZ-OE1 2.73Å; K417-E472 PolarHBondContact NZ-OE1 3.36Å |
| 473 | Q | 92 | Very high | 94.7 | Very high | 134 Ų | 134 | 35.3 Ų | 35.3 | 63% | 0.626 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -109.1 | 158.8 | 176.9 | -61 | -59.3 | -29.5 | 0 | 0 | 111.1 | Y448 S471 I475 | Y448-Q473 WeakPolarHBondContact CD2-O 3.43Å; S471-Q473 VanDerWaalsContact C-N 3.27Å; S471-Q473 VanDerWaalsContact CB-O 3.31Å; S471-Q473 WeakPolarHBondContact CB-O 3.18Å; S471-Q473 PolarHBondContact OG-N 3.32Å; S471-Q473 PolarHBondContact OG-O 2.81Å; Q473-I475 PolarHBondContact O-N 2.89Å |
| 474 | P | 92.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 33.9 Ų | 33.9 | 47% | 0.468 | 17% | 0.174 | S | C | . | . | trans | -52.2 | 134.1 | 172.4 | -25.5 | 33.8 | 0 | 0 | 0 | 111.8 | Y448 | Y448-P474 HydrophobicContact CE1-CB 4.38Å; Y448-P474 HydrophobicContact CE1-CG 4.13Å; Y448-P474 HydrophobicContact CE2-CG 3.94Å | ||
| 475 | I | 95.1 | Very high | 95.4 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.108 | 19% | 0.185 | C | C | . | . | trans | -91 | 113.4 | -175.5 | -59 | 166.2 | 0 | 0 | 0 | 108.8 | Q450 R469 Q473 | Q450-I475 HydrophobicContact CB-CB 4.36Å; Q450-I475 HydrophobicContact CB-CD1 3.7Å; Q450-I475 HydrophobicContact CB-CG2 4.1Å; Q450-I475 HydrophobicContact CG-CG2 4.36Å; R469-I475 HydrophobicContact CB-CD1 4.02Å; Q473-I475 PolarHBondContact O-N 2.89Å | ||
| 476 | R | 94.4 | Very high | 95.6 | Very high | 96 Ų | 96 | 35.3 Ų | 35.3 | 36% | 0.362 | 18% | 0.181 | S | C | . | . | trans | -95.2 | -1.2 | 176.8 | -64.7 | 179.1 | 179.1 | 165.4 | -5.4 | 113.1 | Y260 G277 E280 E281 D284 A478 | Y260-R476 PolarHBondContact OH-NH1 2.79Å; G277-R476 CarbonylContact C-O 3.49Å; G277-R476 WeakPolarHBondContact CA-O 3.25Å; E280-R476 WeakPolarHBondContact OE2-CD 3.33Å; E280-R476 IonicContact OE2-CZ 3.37Å; E280-R476 IonicContact OE2-NE 3.35Å; E280-R476 PolarHBondContact OE2-NE 2.91Å; E281-R476 HydrophobicContact CG-CB 3.97Å; E281-R476 WeakPolarHBondContact OE1-CB 3.33Å; D284-R476 IonicContact OD2-NH1 3.86Å; D284-R476 PolarHBondContact OD2-NH1 3.34Å; R476-A478 VanDerWaalsContact C-N 3.31Å; R476-A478 PolarHBondContact O-N 3.34Å | ||
| 477 | S | 95.7 | Very high | 95.7 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | trans | -76.2 | 75.8 | -169.4 | -41.7 | 0 | 0 | 0 | 0 | 112.1 | E281 Q450 R469 Y479 | E281-S477 VanDerWaalsContact OE1-CA 3.26Å; E281-S477 WeakPolarHBondContact OE1-CA 3.28Å; E281-S477 WeakPolarHBondContact OE1-CB 3.34Å; E281-S477 PolarHBondContact OE1-N 3.13Å; E281-S477 PolarHBondContact OE1-OG 2.86Å; E281-S477 PolarHBondContact OE2-OG 3.34Å; Q450-S477 PolarHBondContact NE2-O 2.87Å; R469-S477 PolarHBondContact NH1-O 2.97Å; S477-Y479 PolarHBondContact O-N 3.08Å | ||
| 478 | A | 96.2 | Very high | 95.6 | Very high | 14 Ų | 14 | 35 Ų | 35 | 12% | 0.116 | 18% | 0.18 | C | C | . | . | trans | -75.9 | 41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R171 S274 R476 | R171-A478 VanDerWaalsContact CD-O 3.26Å; R171-A478 WeakPolarHBondContact CD-O 3.38Å; R171-A478 VanDerWaalsContact CZ-C 3.5Å; R171-A478 PolarHBondContact NE-O 2.81Å; S274-A478 WeakPolarHBondContact O-CB 3.29Å; R476-A478 VanDerWaalsContact C-N 3.31Å; R476-A478 PolarHBondContact O-N 3.34Å | ||
| 479 | Y | 96.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 35 Ų | 35 | 13% | 0.125 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -143.3 | 163.4 | 179.9 | 53.7 | -90.5 | 0 | 0 | 0 | 110.7 | T278 E281 E370 P373 R469 S477 | T278-Y479 HydrophobicContact CG2-CD1 3.64Å; T278-Y479 HydrophobicContact CG2-CE1 3.8Å; T278-Y479 WeakPolarHBondContact OG1-CD1 3.3Å; E281-Y479 WeakPolarHBondContact OE2-CE1 3.4Å; E281-Y479 PolarHBondContact OE2-OH 2.79Å; E370-Y479 VanDerWaalsContact OE1-C 3.3Å; E370-Y479 WeakPolarHBondContact OE1-CA 3.13Å; E370-Y479 WeakPolarHBondContact OE1-CB 3.17Å; P373-Y479 HydrophobicContact CG-CD1 4.49Å; P373-Y479 HydrophobicContact CG-CE1 3.83Å; P373-Y479 HydrophobicContact CG-CE2 3.98Å; R469-Y479 PolarHBondContact NH1-O 3.05Å; R469-Y479 PolarHBondContact NH2-O 3.42Å; S477-Y479 PolarHBondContact O-N 3.08Å |
| 480 | L | 96 | Very high | 95.4 | Very high | 42 Ų | 42 | 35 Ų | 35 | 22% | 0.22 | 18% | 0.18 | C | C | . | . | trans | -69.1 | 153.5 | 179 | -60.6 | 178.2 | 0 | 0 | 0 | 112.1 | E370 Y452 V454 R469 S482 | E370-L480 PolarHBondContact OE1-N 3.16Å; E370-L480 WeakPolarHBondContact OE2-CD1 3.3Å; E370-L480 WeakPolarHBondContact OE2-CG 3.34Å; Y452-L480 HydrophobicContact CD1-CD2 3.42Å; Y452-L480 VanDerWaalsContact CD1-CD2 3.42Å; Y452-L480 HydrophobicContact CE1-CD2 3.61Å; V454-L480 HydrophobicContact CG2-CD1 4.24Å; V454-L480 HydrophobicContact CG2-CD2 3.72Å; R469-L480 PolarHBondContact NH2-O 3.48Å; L480-S482 PolarHBondContact O-N 2.98Å | ||
| 481 | I | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -74.9 | 120.8 | 172.8 | -61.6 | 162.8 | 0 | 0 | 0 | 108.7 | E419 L421 H467 L468 R469 Q483 A484 | E419-I481 HydrophobicContact CB-CD1 4.04Å; E419-I481 HydrophobicContact CB-CG1 4.39Å; E419-I481 HydrophobicContact CB-CG2 4.01Å; L421-I481 HydrophobicContact CD2-CB 3.97Å; L421-I481 HydrophobicContact CD2-CD1 4.46Å; L421-I481 HydrophobicContact CD2-CG2 4.36Å; L421-I481 HydrophobicContact CG-CB 4.48Å; L421-I481 HydrophobicContact CG-CG2 4.33Å; H467-I481 HydrophobicContact CB-CD1 3.96Å; H467-I481 HydrophobicContact CB-CG1 4.37Å; H467-I481 PolarHBondContact ND1-N 3.37Å; H467-I481 VanDerWaalsContact ND1-N 3.14Å; L468-I481 VanDerWaalsContact O-CD1 3.28Å; L468-I481 WeakPolarHBondContact O-CD1 3.42Å; R469-I481 HydrophobicContact CG-CD1 3.9Å; R469-I481 HydrophobicContact CG-CG1 4.08Å; I481-Q483 WeakPolarHBondContact CG2-O 3.36Å; I481-A484 HydrophobicContact CG2-CB 3.93Å | ||
| 482 | S | 91.7 | Very high | 94.8 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 51% | 0.51 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -88.5 | -35.8 | 177 | 58.7 | 0 | 0 | 0 | 0 | 113 | L480 | L480-S482 PolarHBondContact O-N 2.98Š|
| 483 | Q | 93.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 35.7 Ų | 35.7 | 30% | 0.304 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -134 | 131.7 | 175.8 | -65.6 | -72.6 | -62.9 | 0 | 0 | 109.2 | I481 E502 R503 L504 K505 | I481-Q483 WeakPolarHBondContact CG2-O 3.36Å; Q483-E502 PolarHBondContact NE2-O 3.44Å; Q483-R503 CarbonylContact C-O 3.5Å; Q483-R503 VanDerWaalsContact CA-O 3.23Å; Q483-R503 WeakPolarHBondContact CA-O 3.35Å; Q483-L504 PolarHBondContact OE1-O 3.34Å; Q483-L504 VanDerWaalsContact OE1-O 3.09Å; Q483-K505 HydrophobicContact CB-CG 3.85Å; Q483-K505 WeakPolarHBondContact O-CE 3.36Å |
| 484 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 149.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L421 I481 F486 V487 R503 K505 | L421-A484 HydrophobicContact CB-CB 4.4Å; L421-A484 HydrophobicContact CD1-CB 3.88Å; L421-A484 HydrophobicContact CG-CB 3.79Å; I481-A484 HydrophobicContact CG2-CB 3.93Å; A484-F486 VanDerWaalsContact C-N 3.32Å; A484-F486 WeakPolarHBondContact CB-O 3.35Å; A484-V487 HydrophobicContact CB-CG2 4.02Å; A484-R503 PolarHBondContact N-O 2.99Å; A484-K505 PolarHBondContact O-N 3.37Å |
| 485 | D | 97.8 | Very high | 94.4 | Very high | 49 Ų | 49 | 26.6 Ų | 26.6 | 26% | 0.262 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -26.7 | 172.6 | -54.5 | -73.1 | 0 | 0 | 0 | 111.6 | L418 E419 K505 G508 I509 | L418-D485 HydrophobicContact CD1-CB 3.91Å; E419-D485 PolarHBondContact N-OD2 3.2Å; E419-D485 PolarHBondContact O-N 3.12Å; D485-K505 VanDerWaalsContact CG-NZ 3.27Å; D485-K505 VanDerWaalsContact OD1-CD 3.27Å; D485-K505 WeakPolarHBondContact OD1-CD 3.44Å; D485-K505 IonicContact OD1-NZ 3.77Å; D485-K505 PolarHBondContact OD1-NZ 3.33Å; D485-K505 VanDerWaalsContact OD1-NZ 3.16Å; D485-K505 IonicContact OD2-NZ 3.83Å; D485-K505 PolarHBondContact OD2-NZ 3.04Å; D485-G508 CarbonylContact O-C 3.5Å; D485-G508 VanDerWaalsContact O-CA 3.31Å; D485-G508 WeakPolarHBondContact O-CA 3.29Å; D485-I509 PolarHBondContact O-N 3.09Å |
| 486 | F | 98.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.5 | 177 | 178.7 | -84.4 | 0 | 0 | 0 | 110.7 | E419 A420 L421 F422 A484 I509 L511 F566 L569 T570 | E419-F486 PolarHBondContact O-N 3.15Å; A420-F486 CarbonylContact C-O 3.57Å; A420-F486 WeakPolarHBondContact CA-O 3.41Å; A420-F486 HydrophobicContact CB-CB 4Å; A420-F486 HydrophobicContact CB-CD1 4.07Å; A420-F486 HydrophobicContact CB-CG 4.45Å; L421-F486 PolarHBondContact N-O 3.19Å; F422-F486 HydrophobicContact CD1-CE1 4.05Å; F422-F486 HydrophobicContact CE1-CD1 4.17Å; F422-F486 AromaticContact CE1-CE1 3.64Å; F422-F486 HydrophobicContact CE1-CE1 3.64Å; F422-F486 HydrophobicContact CZ-CD1 4.34Å; F422-F486 HydrophobicContact CZ-CE1 4.25Å; A484-F486 VanDerWaalsContact C-N 3.32Å; A484-F486 WeakPolarHBondContact CB-O 3.35Å; F486-I509 WeakPolarHBondContact CA-O 3.37Å; F486-I509 HydrophobicContact CD2-CB 3.82Å; F486-I509 HydrophobicContact CD2-CD1 4.49Å; F486-I509 HydrophobicContact CD2-CG2 3.57Å; F486-I509 HydrophobicContact CE2-CB 4.5Å; F486-I509 HydrophobicContact CE2-CG2 3.74Å; F486-L511 HydrophobicContact CE2-CB 4.05Å; F486-L511 HydrophobicContact CE2-CD2 4.43Å; F486-L511 HydrophobicContact CZ-CB 3.86Å; F486-L511 HydrophobicContact CZ-CD2 3.89Å; F486-F566 AromaticContact CD1-CD2 3.84Å; F486-F566 HydrophobicContact CD1-CD2 3.84Å; F486-F566 HydrophobicContact CD1-CE2 4.25Å; F486-F566 HydrophobicContact CD2-CD2 4.24Å; F486-F566 AromaticContact CE1-CD2 3.78Å; F486-F566 HydrophobicContact CE1-CD2 3.78Å; F486-F566 HydrophobicContact CE2-CD2 4.19Å; F486-F566 HydrophobicContact CG-CD2 4.08Å; F486-F566 HydrophobicContact CG-CE2 4.36Å; F486-F566 HydrophobicContact CZ-CB 4.18Å; F486-F566 AromaticContact CZ-CD2 3.96Å; F486-F566 HydrophobicContact CZ-CD2 3.96Å; F486-L569 HydrophobicContact CE2-CD1 4.32Å; F486-T570 HydrophobicContact CB-CG2 4.15Å; F486-T570 HydrophobicContact CD2-CG2 3.76Å; F486-T570 HydrophobicContact CE2-CG2 4.47Å; F486-T570 HydrophobicContact CG-CG2 4.1Å |
| 487 | V | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 117.5 | 170.4 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | L421 Y423 A484 M500 L504 I509 F510 L511 | L421-V487 HydrophobicContact CB-CG2 4.29Å; L421-V487 HydrophobicContact CD1-CG2 4.36Å; L421-V487 CarbonylContact O-C 3.43Å; L421-V487 WeakPolarHBondContact O-CA 3.38Å; Y423-V487 HydrophobicContact CD2-CG1 4.02Å; Y423-V487 HydrophobicContact CE2-CG1 3.87Å; A484-V487 HydrophobicContact CB-CG2 4.02Å; V487-M500 HydrophobicContact CG1-CB 4.21Å; V487-L504 HydrophobicContact CB-CD1 4.13Å; V487-L504 HydrophobicContact CG2-CB 4.44Å; V487-L504 HydrophobicContact CG2-CD1 3.74Å; V487-I509 PolarHBondContact N-O 3.39Å; V487-F510 HydrophobicContact CB-CD2 3.93Å; V487-F510 HydrophobicContact CB-CE2 4.3Å; V487-F510 HydrophobicContact CG1-CD2 3.98Å; V487-F510 HydrophobicContact CG1-CE2 3.82Å; V487-F510 WeakPolarHBondContact O-CA 3.4Å; V487-L511 PolarHBondContact O-N 2.97Å |
| 488 | G | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L421 Y423 L511 | L421-G488 PolarHBondContact O-N 2.9Å; Y423-G488 PolarHBondContact N-O 3.05Å; G488-L511 CarbonylContact C-O 3.5Å; G488-L511 WeakPolarHBondContact CA-O 3.03Å |
| 489 | C | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 105.1 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | Q491 M500 F510 L511 L512 N513 | C489-Q491 PolarHBondContact SG-O 3.23Å; C489-M500 HydrophobicContact CB-CE 4.38Å; C489-M500 HydrophobicContact CB-SD 3.48Å; C489-M500 WeakPolarHBondContact CB-SD 3.37Å; C489-M500 PolarHBondContact SG-SD 3.25Å; C489-F510 HydrophobicContact CB-CZ 4.24Å; C489-L511 PolarHBondContact N-O 3.05Å; C489-L512 HydrophobicContact CB-CD1 3.74Å; C489-N513 PolarHBondContact O-N 3.11Å |
| 490 | H | 94.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.019 | 15% | 0.147 | C | C | . | . | trans | -87.7 | -10.9 | -173.5 | -62.4 | -173.3 | 0 | 0 | 0 | 113.3 | F422 Y423 S430 N513 I558 M562 | F422-H490 AromaticContact CD1-NE2 3.85Å; Y423-H490 WeakPolarHBondContact O-CB 3.34Å; Y423-H490 PolarHBondContact O-N 3.49Å; S430-H490 WeakPolarHBondContact CB-ND1 3.34Å; S430-H490 PolarHBondContact OG-ND1 3.06Å; H490-N513 PolarHBondContact O-ND2 2.95Å; H490-I558 HydrophobicContact CB-CD1 3.98Å; H490-I558 WeakPolarHBondContact O-CD1 3.42Å; H490-M562 VanDerWaalsContact CD2-CE 3.44Å; H490-M562 WeakPolarHBondContact CD2-CE 3.23Å | ||
| 491 | Q | 89.1 | Confident | 93.2 | Very high | 34 Ų | 34 | 26.8 Ų | 26.8 | 16% | 0.159 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -130 | 118.4 | -179 | -61 | -63.9 | -27.9 | 0 | 0 | 109.5 | L425 D428 C489 Q493 F494 | L425-Q491 HydrophobicContact CB-CG 3.89Å; D428-Q491 PolarHBondContact OD2-NE2 3.39Å; D428-Q491 VanDerWaalsContact OD2-NE2 3.1Å; C489-Q491 PolarHBondContact SG-O 3.23Å; Q491-Q493 VanDerWaalsContact C-N 3.31Å; Q491-Q493 PolarHBondContact O-N 3.15Å; Q491-F494 HydrophobicContact CB-CD1 4.06Å; Q491-F494 HydrophobicContact CB-CD2 3.71Å; Q491-F494 HydrophobicContact CB-CE1 4.11Å; Q491-F494 HydrophobicContact CB-CE2 3.75Å; Q491-F494 HydrophobicContact CB-CG 3.87Å; Q491-F494 HydrophobicContact CB-CZ 3.96Å; Q491-F494 HydrophobicContact CG-CD2 4.23Å; Q491-F494 HydrophobicContact CG-CE1 4.41Å; Q491-F494 HydrophobicContact CG-CE2 3.76Å; Q491-F494 HydrophobicContact CG-CZ 3.88Å; Q491-F494 WeakPolarHBondContact O-CB 3.33Å; Q491-F494 PolarHBondContact O-N 3.23Å; Q491-F494 VanDerWaalsContact O-N 3.15Å |
| 492 | L | 89.8 | Confident | 93.1 | Very high | 47 Ų | 47 | 28.8 Ų | 28.8 | 25% | 0.246 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -55.5 | -45 | -173.8 | 174.7 | 64 | 0 | 0 | 0 | 112.4 | F494 I495 L512 Y516 | L492-F494 PolarHBondContact O-N 2.89Å; L492-I495 WeakPolarHBondContact O-CB 3.36Å; L492-I495 WeakPolarHBondContact O-CG2 3.38Å; L492-I495 PolarHBondContact O-N 3.4Å; L492-I495 VanDerWaalsContact O-N 3.09Å; L492-L512 HydrophobicContact CD1-CD1 4.22Å; L492-L512 HydrophobicContact CD1-CD2 4.07Å; L492-L512 HydrophobicContact CD1-CG 4.46Å; L492-Y516 HydrophobicContact CD2-CD2 4.21Å; L492-Y516 HydrophobicContact CD2-CE2 3.71Å |
| 493 | Q | 86.7 | Confident | 93.3 | Very high | 55 Ų | 55 | 29.3 Ų | 29.3 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -61.2 | -15.2 | -176.5 | 69.7 | -81.5 | 22.4 | 0 | 0 | 114.2 | Q491 I495 D496 | Q491-Q493 VanDerWaalsContact C-N 3.31Å; Q491-Q493 PolarHBondContact O-N 3.15Å; Q493-I495 PolarHBondContact O-N 2.71Å; Q493-D496 PolarHBondContact O-N 3.11Å |
| 494 | F | 91.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 5% | 0.053 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -70.3 | -23.7 | 176.8 | -71.4 | -5 | 0 | 0 | 0 | 112.7 | G424 L425 L463 Q491 L492 D496 K497 Y498 M500 | G424-F494 WeakPolarHBondContact O-CE2 3.39Å; L425-F494 HydrophobicContact CB-CZ 4.41Å; L425-F494 HydrophobicContact CD1-CE1 4.26Å; L425-F494 HydrophobicContact CD1-CZ 3.87Å; L463-F494 HydrophobicContact CD1-CD2 3.97Å; L463-F494 HydrophobicContact CD1-CE2 3.55Å; L463-F494 HydrophobicContact CD1-CZ 3.94Å; Q491-F494 HydrophobicContact CB-CD1 4.06Å; Q491-F494 HydrophobicContact CB-CD2 3.71Å; Q491-F494 HydrophobicContact CB-CE1 4.11Å; Q491-F494 HydrophobicContact CB-CE2 3.75Å; Q491-F494 HydrophobicContact CB-CG 3.87Å; Q491-F494 HydrophobicContact CB-CZ 3.96Å; Q491-F494 HydrophobicContact CG-CD2 4.23Å; Q491-F494 HydrophobicContact CG-CE1 4.41Å; Q491-F494 HydrophobicContact CG-CE2 3.76Å; Q491-F494 HydrophobicContact CG-CZ 3.88Å; Q491-F494 WeakPolarHBondContact O-CB 3.33Å; Q491-F494 PolarHBondContact O-N 3.23Å; Q491-F494 VanDerWaalsContact O-N 3.15Å; L492-F494 PolarHBondContact O-N 2.89Å; F494-D496 PolarHBondContact O-N 2.85Å; F494-K497 PolarHBondContact O-N 2.81Å; F494-K497 VanDerWaalsContact O-N 3.13Å; F494-Y498 HydrophobicContact CB-CD2 3.76Å; F494-Y498 HydrophobicContact CB-CE2 4.25Å; F494-Y498 HydrophobicContact CD1-CD2 4.07Å; F494-Y498 AromaticContact CD1-CE2 3.64Å; F494-Y498 HydrophobicContact CD1-CE2 3.64Å; F494-Y498 HydrophobicContact CE1-CE2 4.07Å; F494-Y498 AromaticContact CG-CD2 3.89Å; F494-Y498 HydrophobicContact CG-CD2 3.89Å; F494-Y498 AromaticContact CG-CE2 3.91Å; F494-Y498 HydrophobicContact CG-CE2 3.91Å; F494-Y498 PolarHBondContact O-N 2.93Å; F494-M500 HydrophobicContact CB-CE 3.44Å; F494-M500 VanDerWaalsContact CB-CE 3.44Å |
| 495 | I | 91.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -64.2 | -28.4 | 179.7 | -153.4 | 56.9 | 0 | 0 | 0 | 112.4 | L492 Q493 K497 M500 F510 L525 V529 R627 | L492-I495 WeakPolarHBondContact O-CB 3.36Å; L492-I495 WeakPolarHBondContact O-CG2 3.38Å; L492-I495 PolarHBondContact O-N 3.4Å; L492-I495 VanDerWaalsContact O-N 3.09Å; Q493-I495 PolarHBondContact O-N 2.71Å; I495-K497 VanDerWaalsContact C-N 3.31Å; I495-M500 HydrophobicContact CD1-CG 4.13Å; I495-M500 HydrophobicContact CD1-SD 3.99Å; I495-F510 HydrophobicContact CD1-CE1 4.18Å; I495-F510 HydrophobicContact CD1-CZ 3.74Å; I495-L525 HydrophobicContact CG1-CD2 4.01Å; I495-V529 HydrophobicContact CD1-CG1 3.83Å; I495-V529 HydrophobicContact CD1-CG2 4.09Å; I495-V529 HydrophobicContact CG1-CG1 4.08Å; I495-V529 HydrophobicContact CG1-CG2 4.06Å; I495-R627 PolarHBondContact O-NE 3.19Å |
| 496 | D | 88.9 | Confident | 93.3 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 33% | 0.326 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -83.1 | -8.1 | -179.8 | -62.3 | -29.8 | 0 | 0 | 0 | 112.7 | Q493 F494 P526 R627 P628 | Q493-D496 PolarHBondContact O-N 3.11Å; F494-D496 PolarHBondContact O-N 2.85Å; D496-P526 WeakPolarHBondContact OD1-CG 3.36Å; D496-R627 WeakPolarHBondContact O-CD 3.42Å; D496-R627 WeakPolarHBondContact O-CG 3.32Å; D496-P628 HydrophobicContact CB-CG 3.95Å |
| 497 | K | 87.2 | Confident | 93.2 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 17% | 0.17 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -40.7 | -171.7 | -174.1 | 164.5 | 172.4 | 166.5 | 0 | 114.1 | F494 I495 V630 L647 | F494-K497 PolarHBondContact O-N 2.81Å; F494-K497 VanDerWaalsContact O-N 3.13Å; I495-K497 VanDerWaalsContact C-N 3.31Å; K497-V630 HydrophobicContact CD-CG1 4.28Å; K497-V630 HydrophobicContact CG-CG1 4.35Å; K497-V630 HydrophobicContact CG-CG2 4.39Å; K497-L647 WeakPolarHBondContact CE-O 3.33Å |
| 498 | Y | 92 | Very high | 93.2 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | trans | -109.9 | 141.2 | -170.6 | -55.7 | -69.2 | 0 | 0 | 0 | 112.6 | L463 F494 M500 L647 A648 | L463-Y498 HydrophobicContact CD1-CD2 4.43Å; L463-Y498 HydrophobicContact CD1-CE2 4.11Å; L463-Y498 HydrophobicContact CD2-CD1 3.98Å; L463-Y498 HydrophobicContact CD2-CD2 4.42Å; L463-Y498 HydrophobicContact CD2-CE1 3.68Å; L463-Y498 HydrophobicContact CD2-CE2 4.14Å; L463-Y498 HydrophobicContact CD2-CG 4.34Å; L463-Y498 HydrophobicContact CG-CE2 4.49Å; F494-Y498 HydrophobicContact CB-CD2 3.76Å; F494-Y498 HydrophobicContact CB-CE2 4.25Å; F494-Y498 HydrophobicContact CD1-CD2 4.07Å; F494-Y498 AromaticContact CD1-CE2 3.64Å; F494-Y498 HydrophobicContact CD1-CE2 3.64Å; F494-Y498 HydrophobicContact CE1-CE2 4.07Å; F494-Y498 AromaticContact CG-CD2 3.89Å; F494-Y498 HydrophobicContact CG-CD2 3.89Å; F494-Y498 AromaticContact CG-CE2 3.91Å; F494-Y498 HydrophobicContact CG-CE2 3.91Å; F494-Y498 PolarHBondContact O-N 2.93Å; Y498-M500 PolarHBondContact O-N 3.12Å; Y498-L647 VanDerWaalsContact CE1-O 3.25Å; Y498-L647 WeakPolarHBondContact CE1-O 3.26Å; Y498-A648 WeakPolarHBondContact CD1-O 3.41Å | ||
| 499 | Q | 91.8 | Very high | 93.3 | Very high | 92 Ų | 92 | 32.5 Ų | 32.5 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | trans | -79.2 | 66.9 | 176.5 | -66.5 | -178.5 | -7.8 | 0 | 0 | 111.7 | E502 | Q499-E502 WeakPolarHBondContact CA-OE2 3.41Å; Q499-E502 HydrophobicContact CB-CB 4.26Å; Q499-E502 HydrophobicContact CB-CG 4.15Å | ||
| 500 | M | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -88.9 | -37.7 | -177.2 | 62.7 | 177.9 | 72.3 | 0 | 0 | 114 | Y423 V487 C489 F494 I495 Y498 E502 R503 F510 | Y423-M500 HydrophobicContact CD1-CB 4.39Å; Y423-M500 HydrophobicContact CD1-CE 4.21Å; Y423-M500 HydrophobicContact CD2-CB 4.01Å; Y423-M500 HydrophobicContact CE1-CB 4.07Å; Y423-M500 HydrophobicContact CE2-CB 3.64Å; Y423-M500 HydrophobicContact CG-CB 4.38Å; Y423-M500 HydrophobicContact CG-CE 4.18Å; V487-M500 HydrophobicContact CG1-CB 4.21Å; C489-M500 HydrophobicContact CB-CE 4.38Å; C489-M500 HydrophobicContact CB-SD 3.48Å; C489-M500 WeakPolarHBondContact CB-SD 3.37Å; C489-M500 PolarHBondContact SG-SD 3.25Å; F494-M500 HydrophobicContact CB-CE 3.44Å; F494-M500 VanDerWaalsContact CB-CE 3.44Å; I495-M500 HydrophobicContact CD1-CG 4.13Å; I495-M500 HydrophobicContact CD1-SD 3.99Å; Y498-M500 PolarHBondContact O-N 3.12Å; M500-E502 PolarHBondContact N-OE2 2.88Å; M500-E502 PolarHBondContact O-N 3.22Å; M500-R503 PolarHBondContact O-N 3.44Å; M500-F510 HydrophobicContact CG-CE2 3.93Å; M500-F510 HydrophobicContact CG-CZ 4.09Å; M500-F510 HydrophobicContact SD-CE2 3.99Å; M500-F510 HydrophobicContact SD-CZ 3.83Å | ||
| 501 | A | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -68.4 | -30.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R503 L504 F510 V529 V532 L533 | A501-R503 PolarHBondContact O-N 2.77Å; A501-L504 WeakPolarHBondContact O-CB 3.5Å; A501-L504 PolarHBondContact O-N 3.41Å; A501-F510 HydrophobicContact CB-CE2 4.37Å; A501-V529 HydrophobicContact CB-CG1 4.3Å; A501-V532 HydrophobicContact CB-CB 4.49Å; A501-V532 HydrophobicContact CB-CG1 3.9Å; A501-V532 WeakPolarHBondContact O-CG1 3.13Å; A501-L533 HydrophobicContact CB-CD2 4.23Å |
| 502 | E | 94.7 | Very high | 93.9 | Very high | 43 Ų | 43 | 30.7 Ų | 30.7 | 20% | 0.201 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -63.4 | -25.8 | 176.5 | -62.5 | 85.9 | 156.8 | 0 | 0 | 111.7 | Q483 Q499 M500 L504 V532 R627 | Q483-E502 PolarHBondContact NE2-O 3.44Å; Q499-E502 WeakPolarHBondContact CA-OE2 3.41Å; Q499-E502 HydrophobicContact CB-CB 4.26Å; Q499-E502 HydrophobicContact CB-CG 4.15Å; M500-E502 PolarHBondContact N-OE2 2.88Å; M500-E502 PolarHBondContact O-N 3.22Å; E502-L504 VanDerWaalsContact C-N 3.3Å; E502-V532 HydrophobicContact CG-CG1 4.29Å; E502-V532 HydrophobicContact CG-CG2 4.01Å; E502-R627 IonicContact OE1-CZ 2.73Å; E502-R627 IonicContact OE1-NH1 2.6Å; E502-R627 PolarHBondContact OE1-NH1 3.25Å; E502-R627 VanDerWaalsContact OE1-NH1 3.08Å; E502-R627 IonicContact OE1-NH2 3.16Å; E502-R627 PolarHBondContact OE1-NH2 3.37Å; E502-R627 IonicContact OE2-NH2 2.81Å |
| 503 | R | 94.9 | Very high | 94.2 | Very high | 84 Ų | 84 | 29.1 Ų | 29.1 | 32% | 0.317 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -84.2 | 2.3 | 174.2 | -58.8 | -159.1 | -173.2 | -166.9 | -0.9 | 113.7 | L421 Y423 Q483 A484 M500 A501 | L421-R503 HydrophobicContact CD1-CB 3.83Å; L421-R503 HydrophobicContact CD1-CG 4.48Å; Y423-R503 WeakPolarHBondContact OH-CD 3.38Å; Q483-R503 CarbonylContact C-O 3.5Å; Q483-R503 VanDerWaalsContact CA-O 3.23Å; Q483-R503 WeakPolarHBondContact CA-O 3.35Å; A484-R503 PolarHBondContact N-O 2.99Å; M500-R503 PolarHBondContact O-N 3.44Å; A501-R503 PolarHBondContact O-N 2.77Å |
| 504 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136.6 | 176.9 | -164 | 71.4 | 0 | 0 | 0 | 111 | Q483 V487 A501 E502 I509 F510 K536 A538 | Q483-L504 PolarHBondContact OE1-O 3.34Å; Q483-L504 VanDerWaalsContact OE1-O 3.09Å; V487-L504 HydrophobicContact CB-CD1 4.13Å; V487-L504 HydrophobicContact CG2-CB 4.44Å; V487-L504 HydrophobicContact CG2-CD1 3.74Å; A501-L504 WeakPolarHBondContact O-CB 3.5Å; A501-L504 PolarHBondContact O-N 3.41Å; E502-L504 VanDerWaalsContact C-N 3.3Å; L504-I509 VanDerWaalsContact CD1-O 3.27Å; L504-I509 WeakPolarHBondContact CD1-O 3.38Å; L504-F510 HydrophobicContact CD2-CB 4.16Å; L504-K536 VanDerWaalsContact O-CD 3.25Å; L504-K536 WeakPolarHBondContact O-CD 3.47Å; L504-K536 VanDerWaalsContact O-CE 3.24Å; L504-K536 WeakPolarHBondContact O-CE 3.16Å; L504-K536 PolarHBondContact O-NZ 3.45Å; L504-A538 HydrophobicContact CD2-CB 3.5Å; L504-A538 VanDerWaalsContact CD2-CB 3.5Å |
| 505 | K | 95.4 | Very high | 94.6 | Very high | 32 Ų | 32 | 29.2 Ų | 29.2 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 154.5 | 168 | -71.7 | 174.8 | -167.5 | 161.9 | 0 | 111.1 | N414 E419 Q483 A484 D485 G507 G508 | N414-K505 PolarHBondContact ND2-NZ 3.42Å; E419-K505 WeakPolarHBondContact OE2-CE 3.33Å; E419-K505 IonicContact OE2-NZ 3.76Å; E419-K505 PolarHBondContact OE2-NZ 2.87Å; Q483-K505 HydrophobicContact CB-CG 3.85Å; Q483-K505 WeakPolarHBondContact O-CE 3.36Å; A484-K505 PolarHBondContact O-N 3.37Å; D485-K505 VanDerWaalsContact CG-NZ 3.27Å; D485-K505 VanDerWaalsContact OD1-CD 3.27Å; D485-K505 WeakPolarHBondContact OD1-CD 3.44Å; D485-K505 IonicContact OD1-NZ 3.77Å; D485-K505 PolarHBondContact OD1-NZ 3.33Å; D485-K505 VanDerWaalsContact OD1-NZ 3.16Å; D485-K505 IonicContact OD2-NZ 3.83Å; D485-K505 PolarHBondContact OD2-NZ 3.04Å; K505-G507 PolarHBondContact O-N 3.37Å; K505-G508 PolarHBondContact O-N 2.97Å |
| 506 | P | 95.8 | Very high | 94.7 | Very high | 107 Ų | 107 | 32.2 Ų | 32.2 | 70% | 0.695 | 17% | 0.171 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 127.7 | 169.7 | -24.8 | 34.9 | 0 | 0 | 0 | 111.9 | G508 K536 | P506-G508 VanDerWaalsContact C-N 3.27Å; P506-G508 PolarHBondContact O-N 3.43Å; P506-K536 CarbonylContact C-O 3.56Å; P506-K536 VanDerWaalsContact CA-O 3.22Å; P506-K536 WeakPolarHBondContact CA-O 3.47Å; P506-K536 HydrophobicContact CG-CD 4.48Å |
| 507 | G | 96.5 | Very high | 94.9 | Very high | 35 Ų | 35 | 31.6 Ų | 31.6 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.6 | 2.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K505 K536 R539 | K505-G507 PolarHBondContact O-N 3.37Å; G507-K536 PolarHBondContact N-O 2.99Å; G507-R539 PolarHBondContact O-NE 3.41Å |
| 508 | G | 97.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 166.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D485 K505 P506 R539 | D485-G508 CarbonylContact O-C 3.5Å; D485-G508 VanDerWaalsContact O-CA 3.31Å; D485-G508 WeakPolarHBondContact O-CA 3.29Å; K505-G508 PolarHBondContact O-N 2.97Å; P506-G508 VanDerWaalsContact C-N 3.27Å; P506-G508 PolarHBondContact O-N 3.43Å; G508-R539 PolarHBondContact O-N 2.99Å |
| 509 | I | 98.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.5 | 177.7 | -65.4 | 159.4 | 0 | 0 | 0 | 109.8 | D485 F486 V487 L504 R539 Y541 L569 | D485-I509 PolarHBondContact O-N 3.09Å; F486-I509 WeakPolarHBondContact CA-O 3.37Å; F486-I509 HydrophobicContact CD2-CB 3.82Å; F486-I509 HydrophobicContact CD2-CD1 4.49Å; F486-I509 HydrophobicContact CD2-CG2 3.57Å; F486-I509 HydrophobicContact CE2-CB 4.5Å; F486-I509 HydrophobicContact CE2-CG2 3.74Å; V487-I509 PolarHBondContact N-O 3.39Å; L504-I509 VanDerWaalsContact CD1-O 3.27Å; L504-I509 WeakPolarHBondContact CD1-O 3.38Å; I509-R539 WeakPolarHBondContact CA-O 3.31Å; I509-R539 VanDerWaalsContact CD1-NH2 3.34Å; I509-R539 HydrophobicContact CG1-CB 4.38Å; I509-R539 VanDerWaalsContact CG1-CZ 3.42Å; I509-R539 VanDerWaalsContact CG1-NH2 3.28Å; I509-Y541 HydrophobicContact CG2-CD2 3.9Å; I509-Y541 HydrophobicContact CG2-CE2 4.18Å; I509-L569 HydrophobicContact CD1-CB 4.21Å; I509-L569 VanDerWaalsContact CD1-O 3.31Å; I509-L569 WeakPolarHBondContact CD1-O 3.42Å; I509-L569 HydrophobicContact CG2-CB 4.28Å; I509-L569 HydrophobicContact CG2-CD1 4.03Å |
| 510 | F | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.8 | 169 | -168.9 | -109 | 0 | 0 | 0 | 109.1 | V487 C489 I495 M500 A501 L504 L512 L533 R539 F540 Y541 | V487-F510 HydrophobicContact CB-CD2 3.93Å; V487-F510 HydrophobicContact CB-CE2 4.3Å; V487-F510 HydrophobicContact CG1-CD2 3.98Å; V487-F510 HydrophobicContact CG1-CE2 3.82Å; V487-F510 WeakPolarHBondContact O-CA 3.4Å; C489-F510 HydrophobicContact CB-CZ 4.24Å; I495-F510 HydrophobicContact CD1-CE1 4.18Å; I495-F510 HydrophobicContact CD1-CZ 3.74Å; M500-F510 HydrophobicContact CG-CE2 3.93Å; M500-F510 HydrophobicContact CG-CZ 4.09Å; M500-F510 HydrophobicContact SD-CE2 3.99Å; M500-F510 HydrophobicContact SD-CZ 3.83Å; A501-F510 HydrophobicContact CB-CE2 4.37Å; L504-F510 HydrophobicContact CD2-CB 4.16Å; F510-L512 HydrophobicContact CE1-CB 4.28Å; F510-L533 HydrophobicContact CB-CD2 3.97Å; F510-L533 HydrophobicContact CD1-CD1 4.43Å; F510-L533 HydrophobicContact CD1-CD2 3.99Å; F510-L533 HydrophobicContact CG-CD2 3.93Å; F510-R539 PolarHBondContact N-O 2.85Å; F510-F540 HydrophobicContact CB-CD2 4.35Å; F510-F540 AromaticContact CD1-CD2 3.61Å; F510-F540 HydrophobicContact CD1-CD2 3.61Å; F510-F540 AromaticContact CD1-CE2 3.67Å; F510-F540 HydrophobicContact CD1-CE2 3.67Å; F510-F540 HydrophobicContact CE1-CD2 4.48Å; F510-F540 HydrophobicContact CE1-CE2 4.11Å; F510-F540 HydrophobicContact CG-CD2 4.46Å; F510-Y541 PolarHBondContact O-N 3.08Å |
| 511 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.8 | 177.4 | 174.7 | 65.5 | 0 | 0 | 0 | 109.8 | F486 V487 G488 C489 Y541 I543 M562 A565 L569 | F486-L511 HydrophobicContact CE2-CB 4.05Å; F486-L511 HydrophobicContact CE2-CD2 4.43Å; F486-L511 HydrophobicContact CZ-CB 3.86Å; F486-L511 HydrophobicContact CZ-CD2 3.89Å; V487-L511 PolarHBondContact O-N 2.97Å; G488-L511 CarbonylContact C-O 3.5Å; G488-L511 WeakPolarHBondContact CA-O 3.03Å; C489-L511 PolarHBondContact N-O 3.05Å; L511-Y541 WeakPolarHBondContact CA-O 3.35Å; L511-I543 HydrophobicContact CD1-CG2 3.99Å; L511-M562 HydrophobicContact CD2-CE 3.66Å; L511-M562 HydrophobicContact CG-CE 4Å; L511-A565 HydrophobicContact CD2-CB 3.62Å; L511-L569 HydrophobicContact CB-CD1 4.29Å; L511-L569 HydrophobicContact CD1-CD1 4Å; L511-L569 HydrophobicContact CD2-CD1 4.3Å; L511-L569 HydrophobicContact CG-CD1 4.42Å |
| 512 | L | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.6 | 177.9 | 177.9 | 64.4 | 0 | 0 | 0 | 111.7 | C489 L492 F510 T514 V521 L525 F540 Y541 V542 I543 | C489-L512 HydrophobicContact CB-CD1 3.74Å; L492-L512 HydrophobicContact CD1-CD1 4.22Å; L492-L512 HydrophobicContact CD1-CD2 4.07Å; L492-L512 HydrophobicContact CD1-CG 4.46Å; F510-L512 HydrophobicContact CE1-CB 4.28Å; L512-T514 HydrophobicContact CD2-CG2 4.36Å; L512-T514 HydrophobicContact CG-CG2 4.27Å; L512-V521 HydrophobicContact CD2-CG2 4.09Å; L512-L525 HydrophobicContact CD2-CD2 4Å; L512-F540 HydrophobicContact CB-CE2 3.83Å; L512-F540 HydrophobicContact CB-CZ 4.39Å; L512-F540 HydrophobicContact CD2-CE2 4.35Å; L512-F540 HydrophobicContact CD2-CZ 4.11Å; L512-Y541 PolarHBondContact N-O 3.28Å; L512-V542 HydrophobicContact CB-CG1 4.31Å; L512-V542 WeakPolarHBondContact O-CA 3.4Å; L512-I543 PolarHBondContact O-N 2.78Å |
| 513 | N | 95.7 | Very high | 95.5 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 117.1 | 166.2 | 179.1 | 34.2 | 0 | 0 | 0 | 110 | C489 H490 I543 A545 M562 | C489-N513 PolarHBondContact O-N 3.11Å; H490-N513 PolarHBondContact O-ND2 2.95Å; N513-I543 CarbonylContact C-O 3.48Å; N513-I543 VanDerWaalsContact CA-O 3.25Å; N513-I543 WeakPolarHBondContact CA-O 3.46Å; N513-I543 PolarHBondContact OD1-O 3.07Å; N513-A545 VanDerWaalsContact OD1-CB 3.3Å; N513-A545 WeakPolarHBondContact OD1-CB 3.47Å; N513-A545 PolarHBondContact OD1-N 3.14Å; N513-M562 HydrophobicContact CB-CE 4.03Å; N513-M562 HydrophobicContact CB-SD 4.06Å |
| 514 | T | 94.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | trans | -150.9 | 146.9 | -173.6 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | L512 Y516 V521 V542 I543 N544 | L512-T514 HydrophobicContact CD2-CG2 4.36Å; L512-T514 HydrophobicContact CG-CG2 4.27Å; T514-Y516 VanDerWaalsContact C-N 3.25Å; T514-Y516 PolarHBondContact O-N 3.38Å; T514-Y516 VanDerWaalsContact OG1-CD2 3.28Å; T514-Y516 WeakPolarHBondContact OG1-CD2 3.39Å; T514-Y516 PolarHBondContact OG1-N 3.21Å; T514-V521 HydrophobicContact CG2-CG2 4.17Å; T514-V542 HydrophobicContact CG2-CB 3.74Å; T514-V542 HydrophobicContact CG2-CG1 3.72Å; T514-I543 PolarHBondContact N-O 3.46Å; T514-N544 VanDerWaalsContact O-CA 3.26Å; T514-N544 WeakPolarHBondContact O-CA 3.43Å; T514-N544 VanDerWaalsContact O-CB 3.27Å; T514-N544 WeakPolarHBondContact O-CB 3.3Å | ||
| 515 | P | 91.7 | Very high | 95.4 | Very high | 67 Ų | 67 | 39.2 Ų | 39.2 | 44% | 0.435 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -73.6 | -15.5 | 172 | 31.6 | -35.6 | 0 | 0 | 0 | 113.9 | N544 | P515-N544 WeakPolarHBondContact CA-ND2 3.31Š|
| 516 | Y | 94.1 | Very high | 95.4 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 26% | 0.255 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -85.7 | 148.6 | -175.3 | -53 | -61.5 | 0 | 0 | 0 | 112.4 | L492 T514 R524 | L492-Y516 HydrophobicContact CD2-CD2 4.21Å; L492-Y516 HydrophobicContact CD2-CE2 3.71Å; T514-Y516 VanDerWaalsContact C-N 3.25Å; T514-Y516 PolarHBondContact O-N 3.38Å; T514-Y516 VanDerWaalsContact OG1-CD2 3.28Å; T514-Y516 WeakPolarHBondContact OG1-CD2 3.39Å; T514-Y516 PolarHBondContact OG1-N 3.21Å; Y516-R524 VanDerWaalsContact CE2-CD 3.46Å |
| 517 | S | 93.5 | Very high | 95.5 | Very high | 48 Ų | 48 | 35 Ų | 35 | 34% | 0.336 | 19% | 0.191 | S | C | . | . | trans | -72.8 | 166.1 | 176.6 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | D519 E520 V521 | S517-D519 PolarHBondContact O-N 3.45Å; S517-E520 PolarHBondContact O-N 3.23Å; S517-V521 WeakPolarHBondContact O-CB 3.44Å; S517-V521 PolarHBondContact O-N 3.41Å; S517-V521 VanDerWaalsContact O-N 3.07Å | ||
| 518 | A | 94.5 | Very high | 95.4 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -32 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | V542 E613 V615 | A518-V542 HydrophobicContact CB-CG2 4.21Å; A518-E613 HydrophobicContact CB-CB 4.09Å; A518-E613 WeakPolarHBondContact CB-OE2 3.43Å; A518-V615 HydrophobicContact CB-CG2 3.96Å |
| 519 | D | 93 | Very high | 95.4 | Very high | 145 Ų | 145 | 36.4 Ų | 36.4 | 78% | 0.775 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -76.1 | -27.9 | -179.3 | -66.9 | -32.1 | 0 | 0 | 0 | 113.4 | S517 | S517-D519 PolarHBondContact O-N 3.45Å |
| 520 | E | 93.1 | Very high | 95.3 | Very high | 96 Ų | 96 | 36.2 Ų | 36.2 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -95.9 | -33.5 | -175.3 | -66.4 | -177.4 | 174.9 | 0 | 0 | 112.9 | S517 W522 S523 | S517-E520 PolarHBondContact O-N 3.23Å; E520-W522 VanDerWaalsContact C-N 3.29Å; E520-W522 PolarHBondContact O-N 2.88Å; E520-S523 PolarHBondContact O-N 3.45Å; E520-S523 PolarHBondContact O-OG 3.49Å |
| 521 | V | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -36.1 | -166.7 | 69.9 | 0 | 0 | 0 | 0 | 113 | L512 T514 S517 S523 R524 L525 F540 V542 V615 | L512-V521 HydrophobicContact CD2-CG2 4.09Å; T514-V521 HydrophobicContact CG2-CG2 4.17Å; S517-V521 WeakPolarHBondContact O-CB 3.44Å; S517-V521 PolarHBondContact O-N 3.41Å; S517-V521 VanDerWaalsContact O-N 3.07Å; V521-S523 VanDerWaalsContact C-N 3.32Å; V521-S523 PolarHBondContact O-N 3.15Å; V521-R524 PolarHBondContact O-N 2.92Å; V521-L525 PolarHBondContact O-N 2.68Å; V521-F540 HydrophobicContact CG1-CE1 4.11Å; V521-F540 HydrophobicContact CG1-CZ 4.33Å; V521-F540 HydrophobicContact CG2-CZ 4.37Å; V521-V542 HydrophobicContact CB-CG1 4.46Å; V521-V542 HydrophobicContact CG1-CG1 3.98Å; V521-V542 HydrophobicContact CG2-CG1 4.16Å; V521-V615 HydrophobicContact CG1-CG1 3.96Å; V521-V615 HydrophobicContact CG1-CG2 3.78Å |
| 522 | W | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.5 | -47.1 | -177.2 | -173.6 | -93.6 | 0 | 0 | 0 | 111.9 | E520 R524 L525 Q530 L533 F540 V615 L617 Q618 P619 | E520-W522 VanDerWaalsContact C-N 3.29Å; E520-W522 PolarHBondContact O-N 2.88Å; W522-R524 PolarHBondContact O-N 3.44Å; W522-L525 PolarHBondContact O-N 3.29Å; W522-Q530 HydrophobicContact CD2-CG 4.41Å; W522-Q530 HydrophobicContact CH2-CB 4.2Å; W522-Q530 HydrophobicContact CH2-CG 4.45Å; W522-Q530 HydrophobicContact CZ2-CB 3.65Å; W522-Q530 HydrophobicContact CZ2-CG 3.84Å; W522-Q530 PolarHBondContact O-NE2 3.34Å; W522-L533 HydrophobicContact CH2-CB 4.47Å; W522-L533 HydrophobicContact CZ3-CD1 4.35Å; W522-F540 HydrophobicContact CE3-CD1 4.24Å; W522-F540 HydrophobicContact CE3-CE1 4.4Å; W522-F540 HydrophobicContact CZ3-CD1 4.26Å; W522-V615 HydrophobicContact CE3-CG1 4.41Å; W522-L617 HydrophobicContact CH2-CB 4.46Å; W522-L617 HydrophobicContact CH2-CD2 3.93Å; W522-L617 HydrophobicContact CZ3-CD2 3.68Å; W522-Q618 HydrophobicContact CD2-CB 4.1Å; W522-Q618 HydrophobicContact CD2-CG 4.41Å; W522-Q618 HydrophobicContact CG-CB 4.14Å; W522-Q618 HydrophobicContact CG-CG 4.27Å; W522-Q618 HydrophobicContact CZ2-CB 4.38Å; W522-Q618 WeakPolarHBondContact CZ2-O 3.43Å; W522-P619 PolarHBondContact NE1-O 2.98Å; W522-P619 VanDerWaalsContact NE1-O 3.13Å |
| 523 | S | 94 | Very high | 95.2 | Very high | 58 Ų | 58 | 39.1 Ų | 39.1 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.7 | -15.1 | -179.4 | 68.8 | 0 | 0 | 0 | 0 | 114.4 | E520 V521 S624 | E520-S523 PolarHBondContact O-N 3.45Å; E520-S523 PolarHBondContact O-OG 3.49Å; V521-S523 VanDerWaalsContact C-N 3.32Å; V521-S523 PolarHBondContact O-N 3.15Å; S523-S624 WeakPolarHBondContact O-CB 3.39Å; S523-S624 PolarHBondContact O-OG 3.49Å |
| 524 | R | 93.4 | Very high | 95.3 | Very high | 131 Ų | 131 | 40.9 Ų | 40.9 | 49% | 0.494 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -95.6 | -16.3 | -179.6 | -63.1 | -178.8 | 176.9 | -87.7 | 2.8 | 112.9 | Y516 V521 W522 | Y516-R524 VanDerWaalsContact CE2-CD 3.46Å; V521-R524 PolarHBondContact O-N 2.92Å; W522-R524 PolarHBondContact O-N 3.44Å |
| 525 | L | 95.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -71.1 | 146.2 | 176.2 | -65.7 | 178.9 | 0 | 0 | 0 | 110.7 | I495 L512 V521 W522 V529 Q530 L533 F540 S624 | I495-L525 HydrophobicContact CG1-CD2 4.01Å; L512-L525 HydrophobicContact CD2-CD2 4Å; V521-L525 PolarHBondContact O-N 2.68Å; W522-L525 PolarHBondContact O-N 3.29Å; L525-V529 HydrophobicContact CD1-CG1 4.38Å; L525-Q530 HydrophobicContact CB-CG 3.89Å; L525-Q530 PolarHBondContact O-NE2 2.88Å; L525-L533 HydrophobicContact CD1-CD1 4.03Å; L525-F540 HydrophobicContact CD1-CE1 3.68Å; L525-F540 HydrophobicContact CD1-CZ 3.91Å; L525-S624 WeakPolarHBondContact O-CB 3.39Å |
| 526 | P | 96.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | trans | -56 | 145.4 | 170.5 | -26.5 | 34.8 | 0 | 0 | 0 | 112.6 | D496 E528 V529 Q530 A625 R627 | D496-P526 WeakPolarHBondContact OD1-CG 3.36Å; P526-E528 WeakPolarHBondContact CB-OE2 3.4Å; P526-E528 PolarHBondContact O-N 3.12Å; P526-V529 HydrophobicContact CB-CB 4.45Å; P526-V529 HydrophobicContact CB-CG2 4.12Å; P526-V529 HydrophobicContact CG-CG2 4.22Å; P526-V529 WeakPolarHBondContact O-CB 3.5Å; P526-V529 PolarHBondContact O-N 3.17Å; P526-Q530 PolarHBondContact O-N 3.46Å; P526-A625 CarbonylContact C-O 3.54Å; P526-A625 VanDerWaalsContact CA-O 3.24Å; P526-A625 WeakPolarHBondContact CA-O 3.44Å; P526-R627 HydrophobicContact CB-CB 4.24Å | ||
| 527 | Q | 96.9 | Very high | 95.9 | Very high | 49 Ų | 49 | 51 Ų | 51 | 23% | 0.229 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.1 | -38.4 | 179.7 | -65.4 | -171.8 | 38.3 | 0 | 0 | 112.2 | V529 Q530 A531 V620 P622 S624 A625 | Q527-V529 VanDerWaalsContact C-N 3.33Å; Q527-V529 PolarHBondContact O-N 3.21Å; Q527-Q530 PolarHBondContact O-N 3Å; Q527-A531 WeakPolarHBondContact O-CB 3.42Å; Q527-A531 PolarHBondContact O-N 3.31Å; Q527-V620 HydrophobicContact CB-CG1 3.96Å; Q527-V620 HydrophobicContact CG-CG1 4.2Å; Q527-P622 PolarHBondContact NE2-O 2.9Å; Q527-S624 WeakPolarHBondContact CG-O 3.43Å; Q527-S624 PolarHBondContact NE2-O 2.79Å; Q527-A625 PolarHBondContact N-O 2.68Å |
| 528 | E | 96 | Very high | 96.1 | Very high | 67 Ų | 67 | 49 Ų | 49 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 178.1 | -57.3 | 89.9 | 155.1 | 0 | 0 | 111.5 | P526 A531 V532 N626 R627 | P526-E528 WeakPolarHBondContact CB-OE2 3.4Å; P526-E528 PolarHBondContact O-N 3.12Å; E528-A531 PolarHBondContact O-N 2.8Å; E528-V532 VanDerWaalsContact O-CG2 3.23Å; E528-V532 WeakPolarHBondContact O-CG2 3.29Å; E528-V532 PolarHBondContact O-N 2.8Å; E528-N626 WeakPolarHBondContact OE1-CB 3.42Å; E528-N626 WeakPolarHBondContact OE2-CA 3.5Å; E528-R627 PolarHBondContact OE1-N 2.93Å; E528-R627 VanDerWaalsContact OE1-N 3.16Å; E528-R627 PolarHBondContact OE2-N 3.47Å |
| 529 | V | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.1 | -44.8 | 178.6 | 175 | 0 | 0 | 0 | 0 | 110.3 | I495 A501 L525 P526 Q527 A531 V532 L533 | I495-V529 HydrophobicContact CD1-CG1 3.83Å; I495-V529 HydrophobicContact CD1-CG2 4.09Å; I495-V529 HydrophobicContact CG1-CG1 4.08Å; I495-V529 HydrophobicContact CG1-CG2 4.06Å; A501-V529 HydrophobicContact CB-CG1 4.3Å; L525-V529 HydrophobicContact CD1-CG1 4.38Å; P526-V529 HydrophobicContact CB-CB 4.45Å; P526-V529 HydrophobicContact CB-CG2 4.12Å; P526-V529 HydrophobicContact CG-CG2 4.22Å; P526-V529 WeakPolarHBondContact O-CB 3.5Å; P526-V529 PolarHBondContact O-N 3.17Å; Q527-V529 VanDerWaalsContact C-N 3.33Å; Q527-V529 PolarHBondContact O-N 3.21Å; V529-A531 VanDerWaalsContact C-N 3.28Å; V529-A531 PolarHBondContact O-N 3.06Å; V529-V532 PolarHBondContact O-N 2.76Å; V529-L533 HydrophobicContact CG1-CD1 4.06Å; V529-L533 HydrophobicContact CG1-CG 4.33Å; V529-L533 WeakPolarHBondContact O-CG 3.11Å; V529-L533 PolarHBondContact O-N 2.79Å |
| 530 | Q | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -43.4 | 174.5 | -66.2 | 177 | 29.8 | 0 | 0 | 111.5 | W522 L525 P526 Q527 N534 V620 S624 | W522-Q530 HydrophobicContact CD2-CG 4.41Å; W522-Q530 HydrophobicContact CH2-CB 4.2Å; W522-Q530 HydrophobicContact CH2-CG 4.45Å; W522-Q530 HydrophobicContact CZ2-CB 3.65Å; W522-Q530 HydrophobicContact CZ2-CG 3.84Å; W522-Q530 PolarHBondContact O-NE2 3.34Å; L525-Q530 HydrophobicContact CB-CG 3.89Å; L525-Q530 PolarHBondContact O-NE2 2.88Å; P526-Q530 PolarHBondContact O-N 3.46Å; Q527-Q530 PolarHBondContact O-N 3Å; Q530-N534 WeakPolarHBondContact O-CB 3.43Å; Q530-N534 PolarHBondContact O-N 3.1Å; Q530-N534 VanDerWaalsContact O-N 3.08Å; Q530-N534 PolarHBondContact O-ND2 3.29Å; Q530-V620 HydrophobicContact CB-CG2 4.2Å; Q530-S624 VanDerWaalsContact NE2-CB 3.3Å; Q530-S624 PolarHBondContact NE2-OG 3.43Å |
| 531 | A | 97.2 | Very high | 96.8 | Very high | 43 Ų | 43 | 44 Ų | 44 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q527 E528 V529 N534 Q535 V620 | Q527-A531 WeakPolarHBondContact O-CB 3.42Å; Q527-A531 PolarHBondContact O-N 3.31Å; E528-A531 PolarHBondContact O-N 2.8Å; V529-A531 VanDerWaalsContact C-N 3.28Å; V529-A531 PolarHBondContact O-N 3.06Å; A531-N534 PolarHBondContact O-N 2.58Å; A531-Q535 WeakPolarHBondContact O-CB 3.34Å; A531-Q535 PolarHBondContact O-N 3.49Å; A531-V620 HydrophobicContact CB-CG2 3.98Å |
| 532 | V | 97.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | A501 E502 E528 V529 N534 Q535 K536 | A501-V532 HydrophobicContact CB-CB 4.49Å; A501-V532 HydrophobicContact CB-CG1 3.9Å; A501-V532 WeakPolarHBondContact O-CG1 3.13Å; E502-V532 HydrophobicContact CG-CG1 4.29Å; E502-V532 HydrophobicContact CG-CG2 4.01Å; E528-V532 VanDerWaalsContact O-CG2 3.23Å; E528-V532 WeakPolarHBondContact O-CG2 3.29Å; E528-V532 PolarHBondContact O-N 2.8Å; V529-V532 PolarHBondContact O-N 2.76Å; V532-N534 VanDerWaalsContact C-N 3.29Å; V532-N534 PolarHBondContact O-N 2.84Å; V532-Q535 PolarHBondContact O-N 2.9Å; V532-K536 HydrophobicContact CG1-CG 4.19Å; V532-K536 WeakPolarHBondContact O-CB 2.89Å; V532-K536 VanDerWaalsContact O-CG 3.26Å; V532-K536 WeakPolarHBondContact O-CG 3.29Å; V532-K536 PolarHBondContact O-N 3.2Å |
| 533 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 177.5 | -68.4 | 175.8 | 0 | 0 | 0 | 111.5 | A501 F510 W522 L525 V529 K537 A538 F540 L617 | A501-L533 HydrophobicContact CB-CD2 4.23Å; F510-L533 HydrophobicContact CB-CD2 3.97Å; F510-L533 HydrophobicContact CD1-CD1 4.43Å; F510-L533 HydrophobicContact CD1-CD2 3.99Å; F510-L533 HydrophobicContact CG-CD2 3.93Å; W522-L533 HydrophobicContact CH2-CB 4.47Å; W522-L533 HydrophobicContact CZ3-CD1 4.35Å; L525-L533 HydrophobicContact CD1-CD1 4.03Å; V529-L533 HydrophobicContact CG1-CD1 4.06Å; V529-L533 HydrophobicContact CG1-CG 4.33Å; V529-L533 WeakPolarHBondContact O-CG 3.11Å; V529-L533 PolarHBondContact O-N 2.79Å; L533-K537 PolarHBondContact O-N 2.86Å; L533-A538 HydrophobicContact CB-CB 4.16Å; L533-A538 HydrophobicContact CD2-CB 3.6Å; L533-A538 HydrophobicContact CG-CB 4.48Å; L533-A538 PolarHBondContact O-N 3.31Å; L533-F540 HydrophobicContact CD1-CD1 4.23Å; L533-F540 HydrophobicContact CD1-CG 4.33Å; L533-L617 HydrophobicContact CB-CD2 4.13Å |
| 534 | N | 97.8 | Very high | 97 | Very high | 52 Ų | 52 | 43.3 Ų | 43.3 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.3 | -49.7 | 172.7 | -83.2 | -45.7 | 0 | 0 | 0 | 112.5 | Q530 A531 V532 K536 K537 Q618 | Q530-N534 WeakPolarHBondContact O-CB 3.43Å; Q530-N534 PolarHBondContact O-N 3.1Å; Q530-N534 VanDerWaalsContact O-N 3.08Å; Q530-N534 PolarHBondContact O-ND2 3.29Å; A531-N534 PolarHBondContact O-N 2.58Å; V532-N534 VanDerWaalsContact C-N 3.29Å; V532-N534 PolarHBondContact O-N 2.84Å; N534-K536 VanDerWaalsContact C-N 3.26Å; N534-K536 PolarHBondContact O-N 3.03Å; N534-K537 PolarHBondContact O-N 3.39Å; N534-Q618 PolarHBondContact ND2-O 2.97Å; N534-Q618 PolarHBondContact OD1-O 3.28Å |
| 535 | Q | 97.3 | Very high | 97 | Very high | 149 Ų | 149 | 37 Ų | 37 | 70% | 0.696 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -57.1 | -42.7 | 179.1 | -177.1 | -171 | 8.9 | 0 | 0 | 111.4 | A531 V532 K537 | A531-Q535 WeakPolarHBondContact O-CB 3.34Å; A531-Q535 PolarHBondContact O-N 3.49Å; V532-Q535 PolarHBondContact O-N 2.9Å; Q535-K537 VanDerWaalsContact C-N 3.27Å; Q535-K537 PolarHBondContact O-N 3.25Å |
| 536 | K | 97 | Very high | 96.6 | Very high | 33 Ų | 33 | 38 Ų | 38 | 14% | 0.143 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6.1 | 179.3 | -61.4 | -66.6 | -172.7 | 149 | 0 | 112.8 | L504 P506 G507 V532 N534 A538 | L504-K536 VanDerWaalsContact O-CD 3.25Å; L504-K536 WeakPolarHBondContact O-CD 3.47Å; L504-K536 VanDerWaalsContact O-CE 3.24Å; L504-K536 WeakPolarHBondContact O-CE 3.16Å; L504-K536 PolarHBondContact O-NZ 3.45Å; P506-K536 CarbonylContact C-O 3.56Å; P506-K536 VanDerWaalsContact CA-O 3.22Å; P506-K536 WeakPolarHBondContact CA-O 3.47Å; P506-K536 HydrophobicContact CG-CD 4.48Å; G507-K536 PolarHBondContact N-O 2.99Å; V532-K536 HydrophobicContact CG1-CG 4.19Å; V532-K536 WeakPolarHBondContact O-CB 2.89Å; V532-K536 VanDerWaalsContact O-CG 3.26Å; V532-K536 WeakPolarHBondContact O-CG 3.29Å; V532-K536 PolarHBondContact O-N 3.2Å; N534-K536 VanDerWaalsContact C-N 3.26Å; N534-K536 PolarHBondContact O-N 3.03Å; K536-A538 PolarHBondContact O-N 3.48Å |
| 537 | K | 97.7 | Very high | 96.4 | Very high | 164 Ų | 164 | 42.5 Ų | 42.5 | 71% | 0.713 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 46.9 | -171.5 | -56.7 | -179.3 | -178.9 | -179.8 | 0 | 110.9 | L533 N534 Q535 | L533-K537 PolarHBondContact O-N 2.86Å; N534-K537 PolarHBondContact O-N 3.39Å; Q535-K537 VanDerWaalsContact C-N 3.27Å; Q535-K537 PolarHBondContact O-N 3.25Å |
| 538 | A | 97.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | trans | -63.6 | 144.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L504 L533 K536 F540 L617 | L504-A538 HydrophobicContact CD2-CB 3.5Å; L504-A538 VanDerWaalsContact CD2-CB 3.5Å; L533-A538 HydrophobicContact CB-CB 4.16Å; L533-A538 HydrophobicContact CD2-CB 3.6Å; L533-A538 HydrophobicContact CG-CB 4.48Å; L533-A538 PolarHBondContact O-N 3.31Å; K536-A538 PolarHBondContact O-N 3.48Å; A538-F540 PolarHBondContact O-N 3.27Å; A538-L617 WeakPolarHBondContact O-CD1 3.45Å | ||
| 539 | R | 98.4 | Very high | 95.9 | Very high | 111 Ų | 111 | 37.2 Ų | 37.2 | 42% | 0.419 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 101.1 | 163.4 | -63.3 | -179 | -72.9 | 159.6 | -4.6 | 107.6 | G507 G508 I509 F510 Y541 | G507-R539 PolarHBondContact O-NE 3.41Å; G508-R539 PolarHBondContact O-N 2.99Å; I509-R539 WeakPolarHBondContact CA-O 3.31Å; I509-R539 VanDerWaalsContact CD1-NH2 3.34Å; I509-R539 HydrophobicContact CG1-CB 4.38Å; I509-R539 VanDerWaalsContact CG1-CZ 3.42Å; I509-R539 VanDerWaalsContact CG1-NH2 3.28Å; F510-R539 PolarHBondContact N-O 2.85Å; R539-Y541 HydrophobicContact CB-CE2 3.74Å; R539-Y541 WeakPolarHBondContact O-CD2 3.47Å |
| 540 | F | 98.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.8 | -171.7 | -179.4 | -150.8 | 0 | 0 | 0 | 110.7 | F510 L512 V521 W522 L525 L533 A538 V542 V615 L617 | F510-F540 HydrophobicContact CB-CD2 4.35Å; F510-F540 AromaticContact CD1-CD2 3.61Å; F510-F540 HydrophobicContact CD1-CD2 3.61Å; F510-F540 AromaticContact CD1-CE2 3.67Å; F510-F540 HydrophobicContact CD1-CE2 3.67Å; F510-F540 HydrophobicContact CE1-CD2 4.48Å; F510-F540 HydrophobicContact CE1-CE2 4.11Å; F510-F540 HydrophobicContact CG-CD2 4.46Å; L512-F540 HydrophobicContact CB-CE2 3.83Å; L512-F540 HydrophobicContact CB-CZ 4.39Å; L512-F540 HydrophobicContact CD2-CE2 4.35Å; L512-F540 HydrophobicContact CD2-CZ 4.11Å; V521-F540 HydrophobicContact CG1-CE1 4.11Å; V521-F540 HydrophobicContact CG1-CZ 4.33Å; V521-F540 HydrophobicContact CG2-CZ 4.37Å; W522-F540 HydrophobicContact CE3-CD1 4.24Å; W522-F540 HydrophobicContact CE3-CE1 4.4Å; W522-F540 HydrophobicContact CZ3-CD1 4.26Å; L525-F540 HydrophobicContact CD1-CE1 3.68Å; L525-F540 HydrophobicContact CD1-CZ 3.91Å; L533-F540 HydrophobicContact CD1-CD1 4.23Å; L533-F540 HydrophobicContact CD1-CG 4.33Å; A538-F540 PolarHBondContact O-N 3.27Å; F540-V542 HydrophobicContact CE2-CG1 3.91Å; F540-V542 HydrophobicContact CZ-CG1 3.75Å; F540-V615 HydrophobicContact CB-CB 4.41Å; F540-V615 HydrophobicContact CD1-CB 3.47Å; F540-V615 VanDerWaalsContact CD1-CB 3.47Å; F540-V615 HydrophobicContact CD1-CG1 3.65Å; F540-V615 HydrophobicContact CD1-CG2 4.03Å; F540-V615 HydrophobicContact CE1-CB 3.85Å; F540-V615 HydrophobicContact CE1-CG1 3.8Å; F540-V615 HydrophobicContact CE1-CG2 3.99Å; F540-V615 HydrophobicContact CG-CB 4.04Å; F540-V615 HydrophobicContact CG-CG2 4.49Å; F540-V615 HydrophobicContact CZ-CG2 4.44Å; F540-V615 PolarHBondContact O-N 3.12Å; F540-L617 HydrophobicContact CB-CD2 4.36Å |
| 541 | Y | 98.4 | Very high | 95.2 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 13% | 0.125 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 149 | 177.8 | -61.2 | -89.5 | 0 | 0 | 0 | 111.4 | I509 F510 L511 L512 R539 L569 V612 E613 E614 | I509-Y541 HydrophobicContact CG2-CD2 3.9Å; I509-Y541 HydrophobicContact CG2-CE2 4.18Å; F510-Y541 PolarHBondContact O-N 3.08Å; L511-Y541 WeakPolarHBondContact CA-O 3.35Å; L512-Y541 PolarHBondContact N-O 3.28Å; R539-Y541 HydrophobicContact CB-CE2 3.74Å; R539-Y541 WeakPolarHBondContact O-CD2 3.47Å; Y541-L569 HydrophobicContact CD1-CD2 3.71Å; Y541-L569 HydrophobicContact CD2-CD1 4.02Å; Y541-L569 HydrophobicContact CD2-CD2 3.8Å; Y541-L569 HydrophobicContact CE1-CD2 3.72Å; Y541-L569 HydrophobicContact CE2-CD2 3.78Å; Y541-L569 HydrophobicContact CG-CD1 4.01Å; Y541-L569 HydrophobicContact CG-CD2 3.76Å; Y541-V612 HydrophobicContact CD1-CG1 3.8Å; Y541-V612 HydrophobicContact CG-CG1 4.15Å; Y541-E613 CarbonylContact C-O 3.6Å; Y541-E613 VanDerWaalsContact CA-O 3.23Å; Y541-E613 WeakPolarHBondContact CA-O 3.47Å; Y541-E614 HydrophobicContact CD1-CB 3.87Å; Y541-E614 HydrophobicContact CD1-CG 4.25Å; Y541-E614 HydrophobicContact CE1-CB 3.61Å; Y541-E614 HydrophobicContact CE1-CG 3.8Å |
| 542 | V | 97.9 | Very high | 95 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 153.8 | 173.8 | -67 | 0 | 0 | 0 | 0 | 111.8 | L512 T514 A518 V521 F540 E613 V615 | L512-V542 HydrophobicContact CB-CG1 4.31Å; L512-V542 WeakPolarHBondContact O-CA 3.4Å; T514-V542 HydrophobicContact CG2-CB 3.74Å; T514-V542 HydrophobicContact CG2-CG1 3.72Å; A518-V542 HydrophobicContact CB-CG2 4.21Å; V521-V542 HydrophobicContact CB-CG1 4.46Å; V521-V542 HydrophobicContact CG1-CG1 3.98Å; V521-V542 HydrophobicContact CG2-CG1 4.16Å; F540-V542 HydrophobicContact CE2-CG1 3.91Å; F540-V542 HydrophobicContact CZ-CG1 3.75Å; V542-E613 HydrophobicContact CG2-CB 4.13Å; V542-E613 PolarHBondContact N-O 3.46Å; V542-E613 PolarHBondContact O-N 3.47Å; V542-V615 HydrophobicContact CB-CG2 4.31Å; V542-V615 HydrophobicContact CG1-CG2 3.75Å; V542-V615 HydrophobicContact CG2-CG2 3.73Å |
| 543 | I | 97.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 143.9 | 171.2 | -172.4 | 163.2 | 0 | 0 | 0 | 109.8 | L511 L512 N513 T514 A545 I548 V561 M562 A565 A608 V612 | L511-I543 HydrophobicContact CD1-CG2 3.99Å; L512-I543 PolarHBondContact O-N 2.78Å; N513-I543 CarbonylContact C-O 3.48Å; N513-I543 VanDerWaalsContact CA-O 3.25Å; N513-I543 WeakPolarHBondContact CA-O 3.46Å; N513-I543 PolarHBondContact OD1-O 3.07Å; T514-I543 PolarHBondContact N-O 3.46Å; I543-A545 PolarHBondContact O-N 3.43Å; I543-I548 HydrophobicContact CD1-CD1 3.85Å; I543-I548 HydrophobicContact CG1-CD1 3.87Å; I543-V561 HydrophobicContact CD1-CG1 3.49Å; I543-V561 VanDerWaalsContact CD1-CG1 3.49Å; I543-V561 HydrophobicContact CG1-CG1 4.26Å; I543-M562 HydrophobicContact CG2-CE 4.16Å; I543-M562 HydrophobicContact CG2-SD 3.72Å; I543-A565 HydrophobicContact CD1-CB 4.45Å; I543-A608 HydrophobicContact CD1-CB 4.32Å; I543-V612 HydrophobicContact CD1-CG2 3.87Å |
| 544 | N | 94.7 | Very high | 93.8 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | trans | -98.1 | 77.6 | 171.3 | -171 | -17.7 | 0 | 0 | 0 | 110.1 | T514 P515 A546 K547 I548 | T514-N544 VanDerWaalsContact O-CA 3.26Å; T514-N544 WeakPolarHBondContact O-CA 3.43Å; T514-N544 VanDerWaalsContact O-CB 3.27Å; T514-N544 WeakPolarHBondContact O-CB 3.3Å; P515-N544 WeakPolarHBondContact CA-ND2 3.31Å; N544-A546 VanDerWaalsContact C-N 3.26Å; N544-A546 PolarHBondContact O-N 3.31Å; N544-K547 HydrophobicContact CB-CB 4.07Å; N544-K547 WeakPolarHBondContact ND2-CB 3.39Å; N544-K547 PolarHBondContact O-N 3.03Å; N544-K547 VanDerWaalsContact OD1-CB 3.27Å; N544-K547 WeakPolarHBondContact OD1-CB 3.44Å; N544-K547 PolarHBondContact OD1-N 3.14Å; N544-I548 WeakPolarHBondContact O-CG1 3.4Å; N544-I548 PolarHBondContact O-N 3.23Å | ||
| 545 | A | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.3 | -29.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N513 I543 I548 A549 I558 V561 M562 | N513-A545 VanDerWaalsContact OD1-CB 3.3Å; N513-A545 WeakPolarHBondContact OD1-CB 3.47Å; N513-A545 PolarHBondContact OD1-N 3.14Å; I543-A545 PolarHBondContact O-N 3.43Å; A545-I548 PolarHBondContact O-N 2.84Å; A545-A549 VanDerWaalsContact O-CB 3.29Å; A545-A549 WeakPolarHBondContact O-CB 3.09Å; A545-A549 PolarHBondContact O-N 3.15Å; A545-I558 HydrophobicContact CB-CB 3.74Å; A545-I558 HydrophobicContact CB-CG2 3.79Å; A545-V561 HydrophobicContact CB-CB 4.02Å; A545-V561 HydrophobicContact CB-CG1 3.71Å; A545-M562 HydrophobicContact CB-CG 4.31Å; A545-M562 HydrophobicContact CB-SD 3.71Å |
| 546 | A | 87.6 | Confident | 91.7 | Very high | 22 Ų | 22 | 46.5 Ų | 46.5 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | N544 R550 | N544-A546 VanDerWaalsContact C-N 3.26Å; N544-A546 PolarHBondContact O-N 3.31Å; A546-R550 WeakPolarHBondContact O-CG 3.15Å; A546-R550 PolarHBondContact O-N 3.29Å |
| 547 | K | 91.1 | Very high | 90.9 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 173.8 | 177.1 | -176.7 | 170.5 | -172.3 | 0 | 111.1 | N544 A549 R550 E551 | N544-K547 HydrophobicContact CB-CB 4.07Å; N544-K547 WeakPolarHBondContact ND2-CB 3.39Å; N544-K547 PolarHBondContact O-N 3.03Å; N544-K547 VanDerWaalsContact OD1-CB 3.27Å; N544-K547 WeakPolarHBondContact OD1-CB 3.44Å; N544-K547 PolarHBondContact OD1-N 3.14Å; K547-A549 VanDerWaalsContact C-N 3.34Å; K547-A549 PolarHBondContact O-N 2.74Å; K547-R550 PolarHBondContact O-N 3.24Å; K547-E551 WeakPolarHBondContact CE-OE1 3.43Å; K547-E551 HydrophobicContact CG-CG 4.45Å; K547-E551 WeakPolarHBondContact CG-OE1 3.2Å; K547-E551 IonicContact NZ-OE1 3.64Å; K547-E551 WeakPolarHBondContact O-CG 3.43Å; K547-E551 PolarHBondContact O-N 2.9Å |
| 548 | I | 93.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 179.3 | -62.4 | 167.1 | 0 | 0 | 0 | 110.5 | I543 N544 A545 R550 E551 C552 V561 A604 L607 | I543-I548 HydrophobicContact CD1-CD1 3.85Å; I543-I548 HydrophobicContact CG1-CD1 3.87Å; N544-I548 WeakPolarHBondContact O-CG1 3.4Å; N544-I548 PolarHBondContact O-N 3.23Å; A545-I548 PolarHBondContact O-N 2.84Å; I548-R550 VanDerWaalsContact C-N 3.32Å; I548-R550 PolarHBondContact O-N 2.85Å; I548-E551 PolarHBondContact O-N 2.98Å; I548-C552 WeakPolarHBondContact O-CB 3.47Å; I548-C552 PolarHBondContact O-N 3.47Å; I548-C552 PolarHBondContact O-SG 3.46Å; I548-C552 VanDerWaalsContact O-SG 3.36Å; I548-V561 HydrophobicContact CB-CG1 4.41Å; I548-V561 HydrophobicContact CB-CG2 4.1Å; I548-V561 HydrophobicContact CD1-CG1 3.79Å; I548-V561 HydrophobicContact CG2-CG1 4.4Å; I548-V561 HydrophobicContact CG2-CG2 3.66Å; I548-A604 HydrophobicContact CG2-CB 4.36Å; I548-L607 HydrophobicContact CG2-CB 4Å |
| 549 | A | 89.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.1 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A545 K547 G553 L554 A555 | A545-A549 VanDerWaalsContact O-CB 3.29Å; A545-A549 WeakPolarHBondContact O-CB 3.09Å; A545-A549 PolarHBondContact O-N 3.15Å; K547-A549 VanDerWaalsContact C-N 3.34Å; K547-A549 PolarHBondContact O-N 2.74Å; A549-G553 PolarHBondContact O-N 3.35Å; A549-G553 VanDerWaalsContact O-N 3.15Å; A549-L554 HydrophobicContact CB-CB 4.29Å; A549-L554 PolarHBondContact O-N 3.45Å; A549-A555 WeakPolarHBondContact CB-O 3.45Å |
| 550 | R | 88.2 | Confident | 89.7 | Confident | 144 Ų | 144 | 39.6 Ų | 39.6 | 54% | 0.543 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.2 | -47.1 | 174.3 | -74.5 | -170.4 | -60.1 | -92.8 | -0.4 | 112.6 | A546 K547 I548 C552 G553 | A546-R550 WeakPolarHBondContact O-CG 3.15Å; A546-R550 PolarHBondContact O-N 3.29Å; K547-R550 PolarHBondContact O-N 3.24Å; I548-R550 VanDerWaalsContact C-N 3.32Å; I548-R550 PolarHBondContact O-N 2.85Å; R550-C552 PolarHBondContact O-N 2.7Å; R550-G553 PolarHBondContact O-N 3.18Å |
| 551 | E | 91.4 | Very high | 89.5 | Confident | 122 Ų | 122 | 39.6 Ų | 39.6 | 57% | 0.57 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61.2 | -33.8 | 179.3 | -73.1 | 174.3 | 177.4 | 0 | 0 | 112.2 | K547 I548 | K547-E551 WeakPolarHBondContact CE-OE1 3.43Å; K547-E551 HydrophobicContact CG-CG 4.45Å; K547-E551 WeakPolarHBondContact CG-OE1 3.2Å; K547-E551 IonicContact NZ-OE1 3.64Å; K547-E551 WeakPolarHBondContact O-CG 3.43Å; K547-E551 PolarHBondContact O-N 2.9Å; I548-E551 PolarHBondContact O-N 2.98Å |
| 552 | C | 91.9 | Very high | 89.3 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 0.6 | 174.9 | -61.2 | 0 | 0 | 0 | 0 | 114.4 | I548 R550 L554 R600 A604 L607 | I548-C552 WeakPolarHBondContact O-CB 3.47Å; I548-C552 PolarHBondContact O-N 3.47Å; I548-C552 PolarHBondContact O-SG 3.46Å; I548-C552 VanDerWaalsContact O-SG 3.36Å; R550-C552 PolarHBondContact O-N 2.7Å; C552-L554 HydrophobicContact CB-CD1 4.2Å; C552-L554 HydrophobicContact CB-CG 4.18Å; C552-R600 WeakPolarHBondContact O-CB 3.49Å; C552-R600 WeakPolarHBondContact O-CD 3.4Å; C552-R600 VanDerWaalsContact O-CG 3.23Å; C552-R600 WeakPolarHBondContact O-CG 3.39Å; C552-A604 HydrophobicContact CB-CB 4.16Å; C552-L607 VanDerWaalsContact SG-CD1 3.57Å |
| 553 | G | 87.6 | Confident | 89 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 40% | 0.402 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 37.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A549 R550 R600 | A549-G553 PolarHBondContact O-N 3.35Å; A549-G553 VanDerWaalsContact O-N 3.15Å; R550-G553 PolarHBondContact O-N 3.18Å; G553-R600 PolarHBondContact O-NH1 2.89Å |
| 554 | L | 83.3 | Confident | 88.9 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | trans | -102.5 | 9.5 | 177.3 | -62 | 176 | 0 | 0 | 0 | 113.3 | A549 C552 R557 L597 R600 N601 A604 | A549-L554 HydrophobicContact CB-CB 4.29Å; A549-L554 PolarHBondContact O-N 3.45Å; C552-L554 HydrophobicContact CB-CD1 4.2Å; C552-L554 HydrophobicContact CB-CG 4.18Å; L554-R557 WeakPolarHBondContact O-CB 3.46Å; L554-R557 PolarHBondContact O-N 3.31Å; L554-L597 HydrophobicContact CD2-CD1 4.04Å; L554-R600 HydrophobicContact CD2-CB 3.94Å; L554-R600 HydrophobicContact CG-CB 4.5Å; L554-N601 WeakPolarHBondContact CD2-ND2 3.29Å; L554-A604 HydrophobicContact CD1-CB 3.62Å | ||
| 555 | A | 77.7 | Confident | 88.9 | Confident | 73 Ų | 73 | 36.8 Ų | 36.8 | 60% | 0.603 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -133.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A549 R557 | A549-A555 WeakPolarHBondContact CB-O 3.45Å; A555-R557 VanDerWaalsContact C-N 3.25Å; A555-R557 PolarHBondContact O-N 3.41Å |
| 556 | A | 73.6 | Confident | 89 | Confident | 59 Ų | 59 | 36.8 Ų | 36.8 | 49% | 0.488 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 7.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I558 | A556-I558 PolarHBondContact O-N 3.02Š|
| 557 | R | 80.1 | Confident | 89.4 | Confident | 141 Ų | 141 | 36 Ų | 36 | 53% | 0.532 | 19% | 0.189 | S | C | . | . | trans | -84.8 | 97 | -174.1 | -62.1 | -171.3 | -178.2 | -152.6 | -2.6 | 112 | L554 A555 | L554-R557 WeakPolarHBondContact O-CB 3.46Å; L554-R557 PolarHBondContact O-N 3.31Å; A555-R557 VanDerWaalsContact C-N 3.25Å; A555-R557 PolarHBondContact O-N 3.41Å | ||
| 558 | I | 89 | Confident | 89.5 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 5% | 0.046 | 18% | 0.184 | C | C | . | . | trans | -85.9 | -9.1 | 178.2 | 63.2 | 171.7 | 0 | 0 | 0 | 114.1 | H490 A545 A556 T560 V561 M562 | H490-I558 HydrophobicContact CB-CD1 3.98Å; H490-I558 WeakPolarHBondContact O-CD1 3.42Å; A545-I558 HydrophobicContact CB-CB 3.74Å; A545-I558 HydrophobicContact CB-CG2 3.79Å; A556-I558 PolarHBondContact O-N 3.02Å; I558-T560 PolarHBondContact O-N 2.99Å; I558-V561 WeakPolarHBondContact O-CB 3.35Å; I558-V561 PolarHBondContact O-N 3.48Å; I558-V561 VanDerWaalsContact O-N 3.13Å; I558-M562 HydrophobicContact CB-CG 4.37Å; I558-M562 HydrophobicContact CD1-CG 4.25Å; I558-M562 HydrophobicContact CG1-CG 4.32Å; I558-M562 WeakPolarHBondContact O-CG 3.25Å; I558-M562 PolarHBondContact O-N 3.49Å | ||
| 559 | N | 89.5 | Confident | 89.6 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 9% | 0.086 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.4 | -47.3 | -168.4 | 64.5 | -22.5 | 0 | 0 | 0 | 113.9 | A433 V561 M562 Q563 | A433-N559 HydrophobicContact CB-CB 4.08Å; N559-V561 VanDerWaalsContact C-N 3.35Å; N559-V561 PolarHBondContact O-N 3.24Å; N559-M562 PolarHBondContact O-N 3.13Å; N559-Q563 WeakPolarHBondContact O-CB 3.14Å; N559-Q563 PolarHBondContact O-N 3.18Å |
| 560 | T | 90.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 178.8 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | I558 Q563 M564 I586 N601 A604 L605 | I558-T560 PolarHBondContact O-N 2.99Å; T560-Q563 WeakPolarHBondContact O-CB 3.43Å; T560-Q563 PolarHBondContact O-N 3.42Å; T560-M564 PolarHBondContact O-N 3.25Å; T560-I586 HydrophobicContact CG2-CD1 3.94Å; T560-N601 HydrophobicContact CG2-CB 4.35Å; T560-N601 PolarHBondContact OG1-OD1 3.38Å; T560-A604 HydrophobicContact CG2-CB 4.5Å; T560-L605 HydrophobicContact CG2-CD2 3.48Å; T560-L605 VanDerWaalsContact CG2-CD2 3.48Å; T560-L605 HydrophobicContact CG2-CG 3.78Å |
| 561 | V | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -51 | 179.4 | -180 | 0 | 0 | 0 | 0 | 110.3 | I543 A545 I548 I558 N559 Q563 M564 A565 A604 A608 | I543-V561 HydrophobicContact CD1-CG1 3.49Å; I543-V561 VanDerWaalsContact CD1-CG1 3.49Å; I543-V561 HydrophobicContact CG1-CG1 4.26Å; A545-V561 HydrophobicContact CB-CB 4.02Å; A545-V561 HydrophobicContact CB-CG1 3.71Å; I548-V561 HydrophobicContact CB-CG1 4.41Å; I548-V561 HydrophobicContact CB-CG2 4.1Å; I548-V561 HydrophobicContact CD1-CG1 3.79Å; I548-V561 HydrophobicContact CG2-CG1 4.4Å; I548-V561 HydrophobicContact CG2-CG2 3.66Å; I558-V561 WeakPolarHBondContact O-CB 3.35Å; I558-V561 PolarHBondContact O-N 3.48Å; I558-V561 VanDerWaalsContact O-N 3.13Å; N559-V561 VanDerWaalsContact C-N 3.35Å; N559-V561 PolarHBondContact O-N 3.24Å; V561-Q563 PolarHBondContact O-N 2.98Å; V561-M564 PolarHBondContact O-N 3.02Å; V561-A565 PolarHBondContact O-N 3.19Å; V561-A565 VanDerWaalsContact O-N 3.1Å; V561-A604 HydrophobicContact CG2-CB 4.13Å; V561-A608 HydrophobicContact CB-CB 4.34Å; V561-A608 HydrophobicContact CG1-CB 3.72Å |
| 562 | M | 94.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.02 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -32.2 | 179.4 | -61.6 | -50.6 | -70.3 | 0 | 0 | 112 | H490 L511 N513 I543 A545 I558 N559 A565 F566 | H490-M562 VanDerWaalsContact CD2-CE 3.44Å; H490-M562 WeakPolarHBondContact CD2-CE 3.23Å; L511-M562 HydrophobicContact CD2-CE 3.66Å; L511-M562 HydrophobicContact CG-CE 4Å; N513-M562 HydrophobicContact CB-CE 4.03Å; N513-M562 HydrophobicContact CB-SD 4.06Å; I543-M562 HydrophobicContact CG2-CE 4.16Å; I543-M562 HydrophobicContact CG2-SD 3.72Å; A545-M562 HydrophobicContact CB-CG 4.31Å; A545-M562 HydrophobicContact CB-SD 3.71Å; I558-M562 HydrophobicContact CB-CG 4.37Å; I558-M562 HydrophobicContact CD1-CG 4.25Å; I558-M562 HydrophobicContact CG1-CG 4.32Å; I558-M562 WeakPolarHBondContact O-CG 3.25Å; I558-M562 PolarHBondContact O-N 3.49Å; N559-M562 PolarHBondContact O-N 3.13Å; M562-A565 PolarHBondContact O-N 3.25Å; M562-F566 PolarHBondContact O-N 3.36Å |
| 563 | Q | 92.9 | Very high | 90 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.6 | -152.7 | 179.8 | 13.5 | 0 | 0 | 112 | A433 N437 N559 T560 V561 F566 F567 L582 | A433-Q563 HydrophobicContact CB-CG 4.42Å; A433-Q563 PolarHBondContact O-NE2 3.25Å; N437-Q563 VanDerWaalsContact OD1-CD 3.25Å; N437-Q563 WeakPolarHBondContact OD1-CG 2.87Å; N437-Q563 PolarHBondContact OD1-NE2 3.2Å; N559-Q563 WeakPolarHBondContact O-CB 3.14Å; N559-Q563 PolarHBondContact O-N 3.18Å; T560-Q563 WeakPolarHBondContact O-CB 3.43Å; T560-Q563 PolarHBondContact O-N 3.42Å; V561-Q563 PolarHBondContact O-N 2.98Å; Q563-F566 PolarHBondContact O-N 3.44Å; Q563-F567 HydrophobicContact CG-CD2 4.47Å; Q563-F567 HydrophobicContact CG-CE2 4.32Å; Q563-F567 WeakPolarHBondContact O-CD2 3.33Å; Q563-F567 PolarHBondContact O-N 3.43Å; Q563-L582 HydrophobicContact CB-CD2 4.42Å; Q563-L582 HydrophobicContact CG-CD2 3.7Å; Q563-L582 VanDerWaalsContact OE1-CD2 3.26Å |
| 564 | M | 93.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 178 | -172 | 63.3 | -131.3 | 0 | 0 | 111.6 | T560 V561 F566 F567 H568 L579 L582 L605 A608 R609 | T560-M564 PolarHBondContact O-N 3.25Å; V561-M564 PolarHBondContact O-N 3.02Å; M564-F566 VanDerWaalsContact C-N 3.3Å; M564-F566 PolarHBondContact O-N 2.93Å; M564-F567 PolarHBondContact O-N 3.13Å; M564-H568 HydrophobicContact CE-CB 4.07Å; M564-H568 VanDerWaalsContact O-CB 3.29Å; M564-H568 WeakPolarHBondContact O-CB 3.41Å; M564-H568 PolarHBondContact O-N 3.36Å; M564-L579 HydrophobicContact SD-CD1 4.19Å; M564-L582 HydrophobicContact CB-CD1 4.48Å; M564-L582 HydrophobicContact SD-CD1 3.68Å; M564-L605 HydrophobicContact CB-CD2 3.74Å; M564-L605 HydrophobicContact CG-CD2 4.31Å; M564-L605 WeakPolarHBondContact CG-O 3.35Å; M564-L605 HydrophobicContact SD-CD2 4.32Å; M564-A608 HydrophobicContact CB-CB 3.87Å; M564-A608 HydrophobicContact CG-CB 4.15Å; M564-R609 HydrophobicContact CG-CB 4.41Å |
| 565 | A | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L511 I543 V561 M562 H568 L569 V612 | L511-A565 HydrophobicContact CD2-CB 3.62Å; I543-A565 HydrophobicContact CD1-CB 4.45Å; V561-A565 PolarHBondContact O-N 3.19Å; V561-A565 VanDerWaalsContact O-N 3.1Å; M562-A565 PolarHBondContact O-N 3.25Å; A565-H568 PolarHBondContact O-N 3.36Å; A565-L569 WeakPolarHBondContact O-CB 3.3Å; A565-L569 VanDerWaalsContact O-CG 3.25Å; A565-L569 WeakPolarHBondContact O-CG 3.44Å; A565-L569 PolarHBondContact O-N 3.39Å; A565-V612 HydrophobicContact CB-CG2 3.8Å |
| 566 | F | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -51.3 | 174.5 | 164.2 | -102.8 | 0 | 0 | 0 | 112.7 | L418 A420 F422 N437 I441 L468 F486 M562 Q563 M564 H568 T570 | L418-F566 HydrophobicContact CD2-CE2 4.12Å; L418-F566 HydrophobicContact CD2-CZ 3.87Å; A420-F566 HydrophobicContact CB-CE2 3.95Å; F422-F566 HydrophobicContact CE1-CB 4.11Å; F422-F566 AromaticContact CE1-CD2 3.67Å; F422-F566 HydrophobicContact CE1-CD2 3.67Å; F422-F566 HydrophobicContact CE1-CE2 4.25Å; F422-F566 AromaticContact CE1-CG 3.86Å; F422-F566 HydrophobicContact CE1-CG 3.86Å; F422-F566 HydrophobicContact CZ-CD1 4.38Å; F422-F566 AromaticContact CZ-CD2 3.5Å; F422-F566 HydrophobicContact CZ-CD2 3.5Å; F422-F566 VanDerWaalsContact CZ-CD2 3.5Å; F422-F566 HydrophobicContact CZ-CE1 4.47Å; F422-F566 AromaticContact CZ-CE2 3.6Å; F422-F566 HydrophobicContact CZ-CE2 3.6Å; F422-F566 AromaticContact CZ-CG 3.91Å; F422-F566 HydrophobicContact CZ-CG 3.91Å; F422-F566 HydrophobicContact CZ-CZ 4.1Å; N437-F566 HydrophobicContact CB-CE1 4.25Å; N437-F566 WeakPolarHBondContact ND2-CD1 3.46Å; I441-F566 HydrophobicContact CD1-CE1 4.17Å; I441-F566 HydrophobicContact CD1-CZ 4.38Å; L468-F566 HydrophobicContact CD1-CZ 4.3Å; F486-F566 AromaticContact CD1-CD2 3.84Å; F486-F566 HydrophobicContact CD1-CD2 3.84Å; F486-F566 HydrophobicContact CD1-CE2 4.25Å; F486-F566 HydrophobicContact CD2-CD2 4.24Å; F486-F566 AromaticContact CE1-CD2 3.78Å; F486-F566 HydrophobicContact CE1-CD2 3.78Å; F486-F566 HydrophobicContact CE2-CD2 4.19Å; F486-F566 HydrophobicContact CG-CD2 4.08Å; F486-F566 HydrophobicContact CG-CE2 4.36Å; F486-F566 HydrophobicContact CZ-CB 4.18Å; F486-F566 AromaticContact CZ-CD2 3.96Å; F486-F566 HydrophobicContact CZ-CD2 3.96Å; M562-F566 PolarHBondContact O-N 3.36Å; Q563-F566 PolarHBondContact O-N 3.44Å; M564-F566 VanDerWaalsContact C-N 3.3Å; M564-F566 PolarHBondContact O-N 2.93Å; F566-H568 PolarHBondContact O-N 3.39Å; F566-T570 HydrophobicContact CD2-CG2 3.75Å; F566-T570 HydrophobicContact CE2-CG2 3.57Å; F566-T570 HydrophobicContact CZ-CG2 4.32Å; F566-T570 WeakPolarHBondContact O-CB 3.3Å; F566-T570 WeakPolarHBondContact O-CG2 3.42Å; F566-T570 PolarHBondContact O-N 3.18Å; F566-T570 PolarHBondContact O-OG1 2.95Å |
| 567 | F | 94.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -38.9 | -179.5 | -82.5 | -72.4 | 0 | 0 | 0 | 112.3 | N437 I440 I441 Q563 M564 Q571 I572 L573 A578 L582 | N437-F567 HydrophobicContact CB-CE2 4.31Å; N437-F567 HydrophobicContact CB-CZ 4.25Å; N437-F567 WeakPolarHBondContact OD1-CE2 3.22Å; I440-F567 HydrophobicContact CB-CZ 4.25Å; I440-F567 HydrophobicContact CG2-CE1 4.44Å; I440-F567 HydrophobicContact CG2-CZ 3.96Å; I441-F567 HydrophobicContact CD1-CE1 4.09Å; I441-F567 HydrophobicContact CD1-CZ 4.34Å; I441-F567 HydrophobicContact CG1-CE1 3.75Å; I441-F567 HydrophobicContact CG1-CZ 4.05Å; Q563-F567 HydrophobicContact CG-CD2 4.47Å; Q563-F567 HydrophobicContact CG-CE2 4.32Å; Q563-F567 WeakPolarHBondContact O-CD2 3.33Å; Q563-F567 PolarHBondContact O-N 3.43Å; M564-F567 PolarHBondContact O-N 3.13Å; F567-Q571 PolarHBondContact O-N 3.19Å; F567-Q571 VanDerWaalsContact O-N 3.12Å; F567-I572 HydrophobicContact CD1-CG2 3.76Å; F567-I572 HydrophobicContact CE1-CG2 3.93Å; F567-L573 HydrophobicContact CD1-CD1 3.93Å; F567-L573 HydrophobicContact CD1-CG 4.19Å; F567-L573 HydrophobicContact CE1-CD1 3.6Å; F567-L573 HydrophobicContact CE1-CG 4.03Å; F567-L573 HydrophobicContact CZ-CD1 4.42Å; F567-A578 HydrophobicContact CB-CB 3.72Å; F567-A578 HydrophobicContact CD1-CB 4.11Å; F567-A578 HydrophobicContact CG-CB 4.01Å; F567-L582 HydrophobicContact CD2-CD1 3.86Å; F567-L582 HydrophobicContact CD2-CD2 4.2Å; F567-L582 HydrophobicContact CD2-CG 4.26Å; F567-L582 HydrophobicContact CE2-CD1 4.43Å; F567-L582 HydrophobicContact CE2-CD2 3.99Å; F567-L582 HydrophobicContact CE2-CG 4.36Å |
| 568 | H | 93.8 | Very high | 90.4 | Very high | 68 Ų | 68 | 31.4 Ų | 31.4 | 32% | 0.315 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 178.4 | -177.1 | 59.1 | 0 | 0 | 0 | 111.9 | M564 A565 F566 Q571 | M564-H568 HydrophobicContact CE-CB 4.07Å; M564-H568 VanDerWaalsContact O-CB 3.29Å; M564-H568 WeakPolarHBondContact O-CB 3.41Å; M564-H568 PolarHBondContact O-N 3.36Å; A565-H568 PolarHBondContact O-N 3.36Å; F566-H568 PolarHBondContact O-N 3.39Å; H568-Q571 WeakPolarHBondContact O-CG 3.37Å |
| 569 | L | 95.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -76.2 | -38.9 | -176.1 | -69.9 | 175 | 0 | 0 | 0 | 113.3 | F486 I509 L511 Y541 A565 V612 | F486-L569 HydrophobicContact CE2-CD1 4.32Å; I509-L569 HydrophobicContact CD1-CB 4.21Å; I509-L569 VanDerWaalsContact CD1-O 3.31Å; I509-L569 WeakPolarHBondContact CD1-O 3.42Å; I509-L569 HydrophobicContact CG2-CB 4.28Å; I509-L569 HydrophobicContact CG2-CD1 4.03Å; L511-L569 HydrophobicContact CB-CD1 4.29Å; L511-L569 HydrophobicContact CD1-CD1 4Å; L511-L569 HydrophobicContact CD2-CD1 4.3Å; L511-L569 HydrophobicContact CG-CD1 4.42Å; Y541-L569 HydrophobicContact CD1-CD2 3.71Å; Y541-L569 HydrophobicContact CD2-CD1 4.02Å; Y541-L569 HydrophobicContact CD2-CD2 3.8Å; Y541-L569 HydrophobicContact CE1-CD2 3.72Å; Y541-L569 HydrophobicContact CE2-CD2 3.78Å; Y541-L569 HydrophobicContact CG-CD1 4.01Å; Y541-L569 HydrophobicContact CG-CD2 3.76Å; A565-L569 WeakPolarHBondContact O-CB 3.3Å; A565-L569 VanDerWaalsContact O-CG 3.25Å; A565-L569 WeakPolarHBondContact O-CG 3.44Å; A565-L569 PolarHBondContact O-N 3.39Å; L569-V612 HydrophobicContact CD1-CG1 4.13Å; L569-V612 HydrophobicContact CD2-CG1 3.91Å; L569-V612 HydrophobicContact CG-CG1 4.26Å |
| 570 | T | 95 | Very high | 90.4 | Very high | 27 Ų | 27 | 34.7 Ų | 34.7 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -78.5 | -22.5 | -179.2 | 58 | 0 | 0 | 0 | 0 | 113.2 | L418 F486 F566 I572 | L418-T570 HydrophobicContact CD1-CG2 4.21Å; L418-T570 HydrophobicContact CD2-CG2 4.35Å; F486-T570 HydrophobicContact CB-CG2 4.15Å; F486-T570 HydrophobicContact CD2-CG2 3.76Å; F486-T570 HydrophobicContact CE2-CG2 4.47Å; F486-T570 HydrophobicContact CG-CG2 4.1Å; F566-T570 HydrophobicContact CD2-CG2 3.75Å; F566-T570 HydrophobicContact CE2-CG2 3.57Å; F566-T570 HydrophobicContact CZ-CG2 4.32Å; F566-T570 WeakPolarHBondContact O-CB 3.3Å; F566-T570 WeakPolarHBondContact O-CG2 3.42Å; F566-T570 PolarHBondContact O-N 3.18Å; F566-T570 PolarHBondContact O-OG1 2.95Å; T570-I572 PolarHBondContact O-N 2.73Å |
| 571 | Q | 92.4 | Very high | 90.4 | Very high | 154 Ų | 154 | 37.9 Ų | 37.9 | 72% | 0.72 | 23% | 0.227 | S | C | * | . | trans | 49.7 | 28.5 | -175.1 | -59.1 | -173.6 | -12.4 | 0 | 0 | 113.1 | F567 H568 L573 | F567-Q571 PolarHBondContact O-N 3.19Å; F567-Q571 VanDerWaalsContact O-N 3.12Å; H568-Q571 WeakPolarHBondContact O-CG 3.37Å; Q571-L573 PolarHBondContact O-N 3.4Å | ||
| 572 | I | 92.3 | Very high | 90.1 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 8% | 0.077 | 23% | 0.227 | C | C | . | . | trans | -65.3 | -27.6 | -177.8 | -167.6 | 59.2 | 0 | 0 | 0 | 111.4 | L418 I441 W447 F567 T570 | L418-I572 HydrophobicContact CB-CD1 4.24Å; L418-I572 HydrophobicContact CD2-CB 4.3Å; L418-I572 HydrophobicContact CD2-CD1 4.27Å; L418-I572 HydrophobicContact CD2-CG1 4.1Å; I441-I572 HydrophobicContact CD1-CG2 4.19Å; I441-I572 HydrophobicContact CG1-CG2 4.4Å; W447-I572 HydrophobicContact CE3-CD1 4.26Å; W447-I572 HydrophobicContact CH2-CD1 4.29Å; W447-I572 WeakPolarHBondContact CH2-O 3.27Å; W447-I572 HydrophobicContact CZ3-CD1 3.61Å; W447-I572 HydrophobicContact CZ3-CG1 3.9Å; W447-I572 VanDerWaalsContact CZ3-O 3.26Å; W447-I572 WeakPolarHBondContact CZ3-O 3.38Å; F567-I572 HydrophobicContact CD1-CG2 3.76Å; F567-I572 HydrophobicContact CE1-CG2 3.93Å; T570-I572 PolarHBondContact O-N 2.73Å | ||
| 573 | L | 89.7 | Confident | 90 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -107.8 | 138.8 | 167.4 | -63.5 | 177.7 | 0 | 0 | 0 | 109.5 | I440 T445 F567 Q571 A578 | I440-L573 HydrophobicContact CG2-CD1 3.96Å; T445-L573 HydrophobicContact CG2-CD2 3.46Å; T445-L573 VanDerWaalsContact CG2-CD2 3.46Å; F567-L573 HydrophobicContact CD1-CD1 3.93Å; F567-L573 HydrophobicContact CD1-CG 4.19Å; F567-L573 HydrophobicContact CE1-CD1 3.6Å; F567-L573 HydrophobicContact CE1-CG 4.03Å; F567-L573 HydrophobicContact CZ-CD1 4.42Å; Q571-L573 PolarHBondContact O-N 3.4Å; L573-A578 HydrophobicContact CB-CB 4.17Å; L573-A578 HydrophobicContact CD1-CB 4.22Å |
| 574 | P | 81.5 | Confident | 89.8 | Confident | 101 Ų | 101 | 42.3 Ų | 42.3 | 66% | 0.656 | 26% | 0.259 | S | S | * | . | trans | -74.7 | 135.2 | -174.6 | 28.9 | -34 | 0 | 0 | 0 | 112.8 | S577 | P574-S577 WeakPolarHBondContact O-CB 3.48Å; P574-S577 PolarHBondContact O-N 3.16Å | ||
| 575 | G | 76.7 | Confident | 89.4 | Confident | 68 Ų | 68 | 43.4 Ų | 43.4 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | -134.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | S577 | G575-S577 VanDerWaalsContact C-N 3.25Å; G575-S577 PolarHBondContact O-N 3.16Å |
| 576 | D | 81.5 | Confident | 89 | Confident | 98 Ų | 98 | 43.7 Ų | 43.7 | 52% | 0.524 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3 | -179.1 | -63 | -33.5 | 0 | 0 | 0 | 113.7 | A578 L579 A580 R609 | D576-A578 VanDerWaalsContact C-N 3.26Å; D576-A578 PolarHBondContact O-N 3.35Å; D576-L579 PolarHBondContact O-N 3.08Å; D576-L579 VanDerWaalsContact O-N 3.13Å; D576-A580 PolarHBondContact O-N 3.35Å; D576-R609 IonicContact OD1-CZ 2.61Å; D576-R609 VanDerWaalsContact OD1-CZ 3.28Å; D576-R609 IonicContact OD1-NH1 2.74Å; D576-R609 PolarHBondContact OD1-NH1 3.46Å; D576-R609 IonicContact OD1-NH2 3.96Å; D576-R609 PolarHBondContact OD1-NH2 2.88Å |
| 577 | S | 85.9 | Confident | 88.5 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.5 | -39.5 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 112 | P574 G575 L579 A580 E581 | P574-S577 WeakPolarHBondContact O-CB 3.48Å; P574-S577 PolarHBondContact O-N 3.16Å; G575-S577 VanDerWaalsContact C-N 3.25Å; G575-S577 PolarHBondContact O-N 3.16Å; S577-L579 VanDerWaalsContact C-N 3.34Å; S577-L579 PolarHBondContact O-N 3.17Å; S577-A580 PolarHBondContact O-N 3.37Å; S577-E581 VanDerWaalsContact O-CG 3.3Å; S577-E581 WeakPolarHBondContact O-CG 3.27Å; S577-E581 PolarHBondContact O-N 3.1Å |
| 578 | A | 85.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F567 L573 D576 E581 L582 | F567-A578 HydrophobicContact CB-CB 3.72Å; F567-A578 HydrophobicContact CD1-CB 4.11Å; F567-A578 HydrophobicContact CG-CB 4.01Å; L573-A578 HydrophobicContact CB-CB 4.17Å; L573-A578 HydrophobicContact CD1-CB 4.22Å; D576-A578 VanDerWaalsContact C-N 3.26Å; D576-A578 PolarHBondContact O-N 3.35Å; A578-E581 PolarHBondContact O-N 3.31Å; A578-L582 WeakPolarHBondContact O-CB 3.26Å; A578-L582 WeakPolarHBondContact O-CG 3.17Å; A578-L582 PolarHBondContact O-N 2.81Å |
| 579 | L | 88.1 | Confident | 87.4 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 18% | 0.183 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 179.9 | 178.9 | 62.7 | 0 | 0 | 0 | 110.5 | M564 D576 S577 E581 L582 Q583 L605 | M564-L579 HydrophobicContact SD-CD1 4.19Å; D576-L579 PolarHBondContact O-N 3.08Å; D576-L579 VanDerWaalsContact O-N 3.13Å; S577-L579 VanDerWaalsContact C-N 3.34Å; S577-L579 PolarHBondContact O-N 3.17Å; L579-E581 PolarHBondContact O-N 3.3Å; L579-L582 PolarHBondContact O-N 3.48Å; L579-Q583 HydrophobicContact CD1-CG 4.21Å; L579-Q583 HydrophobicContact CG-CG 4.45Å; L579-Q583 WeakPolarHBondContact O-CB 3.43Å; L579-Q583 VanDerWaalsContact O-CG 3.25Å; L579-Q583 WeakPolarHBondContact O-CG 3.36Å; L579-Q583 PolarHBondContact O-N 3.04Å; L579-L605 HydrophobicContact CD1-CB 3.88Å; L579-L605 HydrophobicContact CD1-CD1 4.03Å |
| 580 | A | 90.2 | Very high | 86.7 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D576 S577 Q583 G584 | D576-A580 PolarHBondContact O-N 3.35Å; S577-A580 PolarHBondContact O-N 3.37Å; A580-Q583 PolarHBondContact O-N 3.45Å; A580-G584 PolarHBondContact O-N 3.4Å |
| 581 | E | 89.8 | Confident | 85.8 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 177.9 | -70.5 | -70.5 | -175 | 0 | 0 | 112.2 | I440 S444 S577 A578 L579 G584 A585 | I440-E581 HydrophobicContact CG2-CB 3.76Å; I440-E581 HydrophobicContact CG2-CG 4.28Å; S444-E581 WeakPolarHBondContact CB-OE1 3.29Å; S444-E581 PolarHBondContact OG-OE1 2.99Å; S444-E581 PolarHBondContact OG-OE2 2.93Å; S577-E581 VanDerWaalsContact O-CG 3.3Å; S577-E581 WeakPolarHBondContact O-CG 3.27Å; S577-E581 PolarHBondContact O-N 3.1Å; A578-E581 PolarHBondContact O-N 3.31Å; L579-E581 PolarHBondContact O-N 3.3Å; E581-G584 PolarHBondContact O-N 3.1Å; E581-A585 WeakPolarHBondContact O-CB 3.45Å; E581-A585 PolarHBondContact O-N 3.27Å |
| 582 | L | 88.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 175.5 | -73.8 | 169.8 | 0 | 0 | 0 | 111.7 | I440 Q563 M564 F567 A578 L579 G584 A585 I586 L605 | I440-L582 HydrophobicContact CD1-CD2 3.75Å; I440-L582 HydrophobicContact CD1-CG 4.44Å; Q563-L582 HydrophobicContact CB-CD2 4.42Å; Q563-L582 HydrophobicContact CG-CD2 3.7Å; Q563-L582 VanDerWaalsContact OE1-CD2 3.26Å; M564-L582 HydrophobicContact CB-CD1 4.48Å; M564-L582 HydrophobicContact SD-CD1 3.68Å; F567-L582 HydrophobicContact CD2-CD1 3.86Å; F567-L582 HydrophobicContact CD2-CD2 4.2Å; F567-L582 HydrophobicContact CD2-CG 4.26Å; F567-L582 HydrophobicContact CE2-CD1 4.43Å; F567-L582 HydrophobicContact CE2-CD2 3.99Å; F567-L582 HydrophobicContact CE2-CG 4.36Å; A578-L582 WeakPolarHBondContact O-CB 3.26Å; A578-L582 WeakPolarHBondContact O-CG 3.17Å; A578-L582 PolarHBondContact O-N 2.81Å; L579-L582 PolarHBondContact O-N 3.48Å; L582-G584 VanDerWaalsContact C-N 3.32Å; L582-G584 PolarHBondContact O-N 3.16Å; L582-A585 PolarHBondContact O-N 2.95Å; L582-I586 WeakPolarHBondContact O-CB 3.5Å; L582-I586 WeakPolarHBondContact O-CD1 3.45Å; L582-I586 VanDerWaalsContact O-CG1 3.27Å; L582-I586 WeakPolarHBondContact O-CG1 3.44Å; L582-I586 PolarHBondContact O-N 3.46Å; L582-L605 HydrophobicContact CB-CD1 3.84Å; L582-L605 HydrophobicContact CB-CD2 4.28Å; L582-L605 HydrophobicContact CD1-CD2 4.03Å |
| 583 | Q | 90.7 | Very high | 84 | Confident | 67 Ų | 67 | 60.6 Ų | 60.6 | 31% | 0.313 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 176.8 | -75.1 | 179.1 | -32.6 | 0 | 0 | 111.5 | L579 A580 I586 A587 W602 L605 | L579-Q583 HydrophobicContact CD1-CG 4.21Å; L579-Q583 HydrophobicContact CG-CG 4.45Å; L579-Q583 WeakPolarHBondContact O-CB 3.43Å; L579-Q583 VanDerWaalsContact O-CG 3.25Å; L579-Q583 WeakPolarHBondContact O-CG 3.36Å; L579-Q583 PolarHBondContact O-N 3.04Å; A580-Q583 PolarHBondContact O-N 3.45Å; Q583-I586 PolarHBondContact O-N 3.43Å; Q583-A587 WeakPolarHBondContact O-CB 3.23Å; Q583-A587 PolarHBondContact O-N 2.93Å; Q583-W602 HydrophobicContact CG-CD2 4.49Å; Q583-W602 HydrophobicContact CG-CG 4.07Å; Q583-W602 PolarHBondContact O-NE1 3.11Å; Q583-W602 VanDerWaalsContact O-NE1 3.13Å; Q583-L605 HydrophobicContact CG-CD1 3.86Å |
| 584 | G | 88.9 | Confident | 83.4 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 44% | 0.443 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A580 E581 L582 I586 A587 K588 | A580-G584 PolarHBondContact O-N 3.4Å; E581-G584 PolarHBondContact O-N 3.1Å; L582-G584 VanDerWaalsContact C-N 3.32Å; L582-G584 PolarHBondContact O-N 3.16Å; G584-I586 PolarHBondContact O-N 2.99Å; G584-A587 PolarHBondContact O-N 3.43Å; G584-K588 PolarHBondContact O-N 3.24Å |
| 585 | A | 85.6 | Confident | 83.5 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 22% | 0.223 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I440 E581 L582 S589 | I440-A585 HydrophobicContact CD1-CB 4.13Å; E581-A585 WeakPolarHBondContact O-CB 3.45Å; E581-A585 PolarHBondContact O-N 3.27Å; L582-A585 PolarHBondContact O-N 2.95Å; A585-S589 WeakPolarHBondContact O-CB 3.33Å; A585-S589 PolarHBondContact O-N 2.93Å; A585-S589 PolarHBondContact O-OG 3.17Å |
| 586 | I | 86.3 | Confident | 84 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.036 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 175.7 | -71.8 | 160.3 | 0 | 0 | 0 | 110.4 | T560 L582 Q583 G584 K588 S589 Y590 V598 N601 L605 | T560-I586 HydrophobicContact CG2-CD1 3.94Å; L582-I586 WeakPolarHBondContact O-CB 3.5Å; L582-I586 WeakPolarHBondContact O-CD1 3.45Å; L582-I586 VanDerWaalsContact O-CG1 3.27Å; L582-I586 WeakPolarHBondContact O-CG1 3.44Å; L582-I586 PolarHBondContact O-N 3.46Å; Q583-I586 PolarHBondContact O-N 3.43Å; G584-I586 PolarHBondContact O-N 2.99Å; I586-K588 VanDerWaalsContact C-N 3.31Å; I586-K588 PolarHBondContact O-N 3.13Å; I586-S589 PolarHBondContact O-N 3.01Å; I586-S589 VanDerWaalsContact O-N 3.13Å; I586-Y590 HydrophobicContact CB-CD2 4.4Å; I586-Y590 HydrophobicContact CG2-CD2 3.89Å; I586-Y590 WeakPolarHBondContact O-CD2 3.35Å; I586-Y590 PolarHBondContact O-N 3.08Å; I586-V598 HydrophobicContact CG2-CG1 4.24Å; I586-N601 HydrophobicContact CD1-CB 4.14Å; I586-N601 HydrophobicContact CG2-CB 3.59Å; I586-L605 HydrophobicContact CD1-CD1 3.55Å; I586-L605 HydrophobicContact CD1-CD2 4.35Å; I586-L605 HydrophobicContact CD1-CG 4.04Å |
| 587 | A | 87 | Confident | 84.2 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q583 G584 S589 S591 V598 W602 | Q583-A587 WeakPolarHBondContact O-CB 3.23Å; Q583-A587 PolarHBondContact O-N 2.93Å; G584-A587 PolarHBondContact O-N 3.43Å; A587-S589 VanDerWaalsContact C-N 3.32Å; A587-S589 PolarHBondContact O-N 3.4Å; A587-S591 WeakPolarHBondContact O-CB 3.32Å; A587-S591 PolarHBondContact O-N 2.89Å; A587-S591 PolarHBondContact O-OG 2.93Å; A587-V598 HydrophobicContact CB-CG1 4.33Å; A587-W602 HydrophobicContact CB-CZ2 4.17Å |
| 588 | K | 85.5 | Confident | 84.3 | Confident | 185 Ų | 185 | 59.2 Ų | 59.2 | 80% | 0.804 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | 176.4 | -173.3 | 175.3 | -179.8 | 176.6 | 0 | 112.6 | G584 I586 | G584-K588 PolarHBondContact O-N 3.24Å; I586-K588 VanDerWaalsContact C-N 3.31Å; I586-K588 PolarHBondContact O-N 3.13Å |
| 589 | S | 78.2 | Confident | 84.6 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -82.4 | -31.2 | -173.8 | -56.5 | 0 | 0 | 0 | 0 | 113.7 | A585 I586 A587 | A585-S589 WeakPolarHBondContact O-CB 3.33Å; A585-S589 PolarHBondContact O-N 2.93Å; A585-S589 PolarHBondContact O-OG 3.17Å; I586-S589 PolarHBondContact O-N 3.01Å; I586-S589 VanDerWaalsContact O-N 3.13Å; A587-S589 VanDerWaalsContact C-N 3.32Å; A587-S589 PolarHBondContact O-N 3.4Å |
| 590 | Y | 80.7 | Confident | 84.7 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -120 | -3 | -168.9 | -60.3 | -65.7 | 0 | 0 | 0 | 114.9 | I586 S592 K593 L597 | I586-Y590 HydrophobicContact CB-CD2 4.4Å; I586-Y590 HydrophobicContact CG2-CD2 3.89Å; I586-Y590 WeakPolarHBondContact O-CD2 3.35Å; I586-Y590 PolarHBondContact O-N 3.08Å; Y590-S592 PolarHBondContact O-N 3.36Å; Y590-K593 HydrophobicContact CD1-CD 4.33Å; Y590-K593 WeakPolarHBondContact O-CA 3.4Å; Y590-K593 WeakPolarHBondContact O-CB 3.31Å; Y590-K593 PolarHBondContact O-N 3.39Å; Y590-L597 HydrophobicContact CD1-CD2 4.02Å; Y590-L597 HydrophobicContact CG-CD2 4.34Å |
| 591 | S | 77.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -54.2 | -36.5 | 177.5 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | A587 K593 G594 | A587-S591 WeakPolarHBondContact O-CB 3.32Å; A587-S591 PolarHBondContact O-N 2.89Å; A587-S591 PolarHBondContact O-OG 2.93Å; S591-K593 PolarHBondContact O-N 3Å; S591-G594 PolarHBondContact O-N 2.69Å |
| 592 | S | 73.5 | Confident | 84.9 | Confident | 109 Ų | 109 | 64.5 Ų | 64.5 | 76% | 0.762 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -67.8 | -14.3 | 176 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | Y590 | Y590-S592 PolarHBondContact O-N 3.36Š|
| 593 | K | 72.3 | Confident | 85.1 | Confident | 139 Ų | 139 | 69.7 Ų | 69.7 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -100.6 | 2.5 | 179 | -61.5 | -166.1 | 179.7 | -173 | 0 | 113.5 | Y590 S591 L597 | Y590-K593 HydrophobicContact CD1-CD 4.33Å; Y590-K593 WeakPolarHBondContact O-CA 3.4Å; Y590-K593 WeakPolarHBondContact O-CB 3.31Å; Y590-K593 PolarHBondContact O-N 3.39Å; S591-K593 PolarHBondContact O-N 3Å; K593-L597 HydrophobicContact CB-CD2 3.85Å; K593-L597 HydrophobicContact CD-CD2 4.17Å |
| 594 | G | 76.8 | Confident | 85.2 | Confident | 33 Ų | 33 | 66.5 Ų | 66.5 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | trans | 107.1 | 146.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S591 D596 L597 | S591-G594 PolarHBondContact O-N 2.69Å; G594-D596 PolarHBondContact O-N 3.34Å; G594-L597 PolarHBondContact O-N 3.18Å | ||
| 595 | Q | 84 | Confident | 85.4 | Confident | 96 Ų | 96 | 64.4 Ų | 64.4 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | -175.7 | -174.1 | 61.6 | 18.4 | 0 | 0 | 112.6 | L597 V598 E599 | Q595-L597 VanDerWaalsContact C-N 3.25Å; Q595-L597 PolarHBondContact O-N 3.01Å; Q595-V598 WeakPolarHBondContact O-CA 3.4Å; Q595-V598 WeakPolarHBondContact O-CB 3.39Å; Q595-V598 PolarHBondContact O-N 3.33Å; Q595-E599 HydrophobicContact CG-CG 4.4Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.27Å; Q595-E599 PolarHBondContact NE2-OE1 2.99Å; Q595-E599 PolarHBondContact O-N 3.33Å |
| 596 | D | 86.8 | Confident | 85.7 | Confident | 108 Ų | 108 | 65.4 Ų | 65.4 | 58% | 0.578 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -55.3 | -40 | 176.6 | -65.8 | 8.1 | 0 | 0 | 0 | 112.4 | G594 V598 E599 R600 | G594-D596 PolarHBondContact O-N 3.34Å; D596-V598 VanDerWaalsContact C-N 3.34Å; D596-E599 PolarHBondContact O-N 2.89Å; D596-R600 WeakPolarHBondContact O-CB 3.22Å; D596-R600 WeakPolarHBondContact O-CG 3.3Å; D596-R600 PolarHBondContact O-N 3.49Å |
| 597 | L | 85.2 | Confident | 86.1 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 178.2 | -177.4 | 63 | 0 | 0 | 0 | 111.3 | L554 Y590 K593 G594 Q595 N601 | L554-L597 HydrophobicContact CD2-CD1 4.04Å; Y590-L597 HydrophobicContact CD1-CD2 4.02Å; Y590-L597 HydrophobicContact CG-CD2 4.34Å; K593-L597 HydrophobicContact CB-CD2 3.85Å; K593-L597 HydrophobicContact CD-CD2 4.17Å; G594-L597 PolarHBondContact O-N 3.18Å; Q595-L597 VanDerWaalsContact C-N 3.25Å; Q595-L597 PolarHBondContact O-N 3.01Å; L597-N601 PolarHBondContact O-N 2.92Å; L597-N601 VanDerWaalsContact O-N 3.15Å; L597-N601 PolarHBondContact O-ND2 3.27Å |
| 598 | V | 88.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 110 | I586 A587 Q595 D596 R600 N601 W602 | I586-V598 HydrophobicContact CG2-CG1 4.24Å; A587-V598 HydrophobicContact CB-CG1 4.33Å; Q595-V598 WeakPolarHBondContact O-CA 3.4Å; Q595-V598 WeakPolarHBondContact O-CB 3.39Å; Q595-V598 PolarHBondContact O-N 3.33Å; D596-V598 VanDerWaalsContact C-N 3.34Å; V598-R600 PolarHBondContact O-N 3.12Å; V598-N601 WeakPolarHBondContact O-CB 3.42Å; V598-N601 PolarHBondContact O-N 3.31Å; V598-W602 HydrophobicContact CG1-CD2 4Å; V598-W602 HydrophobicContact CG1-CE3 4.4Å; V598-W602 HydrophobicContact CG1-CH2 4.01Å; V598-W602 HydrophobicContact CG1-CZ2 3.57Å; V598-W602 HydrophobicContact CG1-CZ3 4.39Å; V598-W602 PolarHBondContact O-N 3.18Å |
| 599 | E | 91.8 | Very high | 86.6 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 42% | 0.416 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | -179.8 | -70.6 | 177.5 | -171.5 | 0 | 0 | 112.5 | Q595 D596 N601 W602 Q603 | Q595-E599 HydrophobicContact CG-CG 4.4Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.27Å; Q595-E599 PolarHBondContact NE2-OE1 2.99Å; Q595-E599 PolarHBondContact O-N 3.33Å; D596-E599 PolarHBondContact O-N 2.89Å; E599-N601 VanDerWaalsContact C-N 3.3Å; E599-N601 PolarHBondContact O-N 3.17Å; E599-W602 HydrophobicContact CG-CE3 4.37Å; E599-W602 WeakPolarHBondContact O-CB 3.49Å; E599-W602 PolarHBondContact O-N 3.25Å; E599-W602 VanDerWaalsContact O-N 3.11Å; E599-Q603 WeakPolarHBondContact O-CG 3.37Å; E599-Q603 PolarHBondContact O-N 3.49Å |
| 600 | R | 91.9 | Very high | 87.2 | Confident | 108 Ų | 108 | 66.6 Ų | 66.6 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 173.5 | -74.2 | 175.6 | -165.1 | -172.3 | 6.6 | 112.4 | C552 G553 L554 D596 V598 Q603 A604 | C552-R600 WeakPolarHBondContact O-CB 3.49Å; C552-R600 WeakPolarHBondContact O-CD 3.4Å; C552-R600 VanDerWaalsContact O-CG 3.23Å; C552-R600 WeakPolarHBondContact O-CG 3.39Å; G553-R600 PolarHBondContact O-NH1 2.89Å; L554-R600 HydrophobicContact CD2-CB 3.94Å; L554-R600 HydrophobicContact CG-CB 4.5Å; D596-R600 WeakPolarHBondContact O-CB 3.22Å; D596-R600 WeakPolarHBondContact O-CG 3.3Å; D596-R600 PolarHBondContact O-N 3.49Å; V598-R600 PolarHBondContact O-N 3.12Å; R600-Q603 PolarHBondContact O-N 3.41Å; R600-A604 PolarHBondContact O-N 2.76Å |
| 601 | N | 90.4 | Very high | 87.9 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.032 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 175.1 | -84.3 | -86 | 0 | 0 | 0 | 111.8 | L554 T560 I586 L597 V598 E599 A604 L605 | L554-N601 WeakPolarHBondContact CD2-ND2 3.29Å; T560-N601 HydrophobicContact CG2-CB 4.35Å; T560-N601 PolarHBondContact OG1-OD1 3.38Å; I586-N601 HydrophobicContact CD1-CB 4.14Å; I586-N601 HydrophobicContact CG2-CB 3.59Å; L597-N601 PolarHBondContact O-N 2.92Å; L597-N601 VanDerWaalsContact O-N 3.15Å; L597-N601 PolarHBondContact O-ND2 3.27Å; V598-N601 WeakPolarHBondContact O-CB 3.42Å; V598-N601 PolarHBondContact O-N 3.31Å; E599-N601 VanDerWaalsContact C-N 3.3Å; E599-N601 PolarHBondContact O-N 3.17Å; N601-A604 WeakPolarHBondContact O-CB 3.48Å; N601-A604 PolarHBondContact O-N 2.96Å; N601-L605 WeakPolarHBondContact O-CG 3.41Å; N601-L605 PolarHBondContact O-N 3.37Å |
| 602 | W | 92.4 | Very high | 88.8 | Confident | 79 Ų | 79 | 64.1 Ų | 64.1 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 175 | -67.6 | -12.7 | 0 | 0 | 0 | 113 | Q583 A587 V598 E599 A604 L605 A606 | Q583-W602 HydrophobicContact CG-CD2 4.49Å; Q583-W602 HydrophobicContact CG-CG 4.07Å; Q583-W602 PolarHBondContact O-NE1 3.11Å; Q583-W602 VanDerWaalsContact O-NE1 3.13Å; A587-W602 HydrophobicContact CB-CZ2 4.17Å; V598-W602 HydrophobicContact CG1-CD2 4Å; V598-W602 HydrophobicContact CG1-CE3 4.4Å; V598-W602 HydrophobicContact CG1-CH2 4.01Å; V598-W602 HydrophobicContact CG1-CZ2 3.57Å; V598-W602 HydrophobicContact CG1-CZ3 4.39Å; V598-W602 PolarHBondContact O-N 3.18Å; E599-W602 HydrophobicContact CG-CE3 4.37Å; E599-W602 WeakPolarHBondContact O-CB 3.49Å; E599-W602 PolarHBondContact O-N 3.25Å; E599-W602 VanDerWaalsContact O-N 3.11Å; W602-A604 VanDerWaalsContact C-N 3.31Å; W602-A604 PolarHBondContact O-N 3.04Å; W602-L605 WeakPolarHBondContact O-CB 3.34Å; W602-L605 PolarHBondContact O-N 3.25Å; W602-A606 PolarHBondContact O-N 2.89Å; W602-A606 VanDerWaalsContact O-N 3.14Å |
| 603 | Q | 93.4 | Very high | 89.9 | Confident | 108 Ų | 108 | 63.6 Ų | 63.6 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 172.4 | -71.7 | 173.4 | -4.5 | 0 | 0 | 111.2 | E599 R600 L605 A606 L607 | E599-Q603 WeakPolarHBondContact O-CG 3.37Å; E599-Q603 PolarHBondContact O-N 3.49Å; R600-Q603 PolarHBondContact O-N 3.41Å; Q603-L605 VanDerWaalsContact C-N 3.31Å; Q603-L605 PolarHBondContact O-N 3.12Å; Q603-A606 PolarHBondContact O-N 2.94Å; Q603-L607 PolarHBondContact O-N 2.72Å |
| 604 | A | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -37 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I548 C552 L554 T560 V561 R600 N601 W602 A608 | I548-A604 HydrophobicContact CG2-CB 4.36Å; C552-A604 HydrophobicContact CB-CB 4.16Å; L554-A604 HydrophobicContact CD1-CB 3.62Å; T560-A604 HydrophobicContact CG2-CB 4.5Å; V561-A604 HydrophobicContact CG2-CB 4.13Å; R600-A604 PolarHBondContact O-N 2.76Å; N601-A604 WeakPolarHBondContact O-CB 3.48Å; N601-A604 PolarHBondContact O-N 2.96Å; W602-A604 VanDerWaalsContact C-N 3.31Å; W602-A604 PolarHBondContact O-N 3.04Å; A604-A608 WeakPolarHBondContact O-CB 3.44Å; A604-A608 PolarHBondContact O-N 3.27Å |
| 605 | L | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -46 | 173.5 | -67.8 | 178.3 | 0 | 0 | 0 | 112 | T560 M564 L579 L582 Q583 I586 N601 W602 Q603 A608 R609 | T560-L605 HydrophobicContact CG2-CD2 3.48Å; T560-L605 VanDerWaalsContact CG2-CD2 3.48Å; T560-L605 HydrophobicContact CG2-CG 3.78Å; M564-L605 HydrophobicContact CB-CD2 3.74Å; M564-L605 HydrophobicContact CG-CD2 4.31Å; M564-L605 WeakPolarHBondContact CG-O 3.35Å; M564-L605 HydrophobicContact SD-CD2 4.32Å; L579-L605 HydrophobicContact CD1-CB 3.88Å; L579-L605 HydrophobicContact CD1-CD1 4.03Å; L582-L605 HydrophobicContact CB-CD1 3.84Å; L582-L605 HydrophobicContact CB-CD2 4.28Å; L582-L605 HydrophobicContact CD1-CD2 4.03Å; Q583-L605 HydrophobicContact CG-CD1 3.86Å; I586-L605 HydrophobicContact CD1-CD1 3.55Å; I586-L605 HydrophobicContact CD1-CD2 4.35Å; I586-L605 HydrophobicContact CD1-CG 4.04Å; N601-L605 WeakPolarHBondContact O-CG 3.41Å; N601-L605 PolarHBondContact O-N 3.37Å; W602-L605 WeakPolarHBondContact O-CB 3.34Å; W602-L605 PolarHBondContact O-N 3.25Å; Q603-L605 VanDerWaalsContact C-N 3.31Å; Q603-L605 PolarHBondContact O-N 3.12Å; L605-A608 PolarHBondContact O-N 3.17Å; L605-R609 PolarHBondContact O-N 2.92Å |
| 606 | A | 91.7 | Very high | 92.6 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 40% | 0.397 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -50.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | W602 Q603 A608 R609 E610 | W602-A606 PolarHBondContact O-N 2.89Å; W602-A606 VanDerWaalsContact O-N 3.14Å; Q603-A606 PolarHBondContact O-N 2.94Å; A606-A608 VanDerWaalsContact C-N 3.32Å; A606-A608 PolarHBondContact O-N 2.87Å; A606-R609 PolarHBondContact O-N 3.35Å; A606-E610 PolarHBondContact O-N 3.15Å |
| 607 | L | 93.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 58.5 Ų | 58.5 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 177.8 | -75.6 | 166.6 | 0 | 0 | 0 | 112.2 | I548 C552 Q603 R609 E610 S611 | I548-L607 HydrophobicContact CG2-CB 4Å; C552-L607 VanDerWaalsContact SG-CD1 3.57Å; Q603-L607 PolarHBondContact O-N 2.72Å; L607-R609 VanDerWaalsContact C-N 3.29Å; L607-R609 PolarHBondContact O-N 3.39Å; L607-E610 PolarHBondContact O-N 3.5Å; L607-S611 VanDerWaalsContact O-CB 3.23Å; L607-S611 WeakPolarHBondContact O-CB 3.37Å; L607-S611 PolarHBondContact O-N 3.4Å; L607-S611 PolarHBondContact O-OG 2.94Å |
| 608 | A | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.6 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I543 V561 M564 A604 L605 A606 E610 S611 V612 | I543-A608 HydrophobicContact CD1-CB 4.32Å; V561-A608 HydrophobicContact CB-CB 4.34Å; V561-A608 HydrophobicContact CG1-CB 3.72Å; M564-A608 HydrophobicContact CB-CB 3.87Å; M564-A608 HydrophobicContact CG-CB 4.15Å; A604-A608 WeakPolarHBondContact O-CB 3.44Å; A604-A608 PolarHBondContact O-N 3.27Å; L605-A608 PolarHBondContact O-N 3.17Å; A606-A608 VanDerWaalsContact C-N 3.32Å; A606-A608 PolarHBondContact O-N 2.87Å; A608-E610 VanDerWaalsContact C-N 3.28Å; A608-E610 PolarHBondContact O-N 2.73Å; A608-S611 PolarHBondContact O-N 2.86Å; A608-V612 WeakPolarHBondContact O-CG2 3.42Å; A608-V612 PolarHBondContact O-N 3.47Å |
| 609 | R | 89.8 | Confident | 93.9 | Very high | 93 Ų | 93 | 65.2 Ų | 65.2 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.4 | -33.4 | 179.8 | -175.9 | 179.7 | 173.1 | 166.5 | -0.8 | 112.7 | M564 D576 L605 A606 L607 | M564-R609 HydrophobicContact CG-CB 4.41Å; D576-R609 IonicContact OD1-CZ 2.61Å; D576-R609 VanDerWaalsContact OD1-CZ 3.28Å; D576-R609 IonicContact OD1-NH1 2.74Å; D576-R609 PolarHBondContact OD1-NH1 3.46Å; D576-R609 IonicContact OD1-NH2 3.96Å; D576-R609 PolarHBondContact OD1-NH2 2.88Å; L605-R609 PolarHBondContact O-N 2.92Å; A606-R609 PolarHBondContact O-N 3.35Å; L607-R609 VanDerWaalsContact C-N 3.29Å; L607-R609 PolarHBondContact O-N 3.39Å |
| 610 | E | 92 | Very high | 94.2 | Very high | 158 Ų | 158 | 63.7 Ų | 63.7 | 74% | 0.738 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -85 | -22.9 | -179.5 | -65 | 177.6 | 178.2 | 0 | 0 | 113 | A606 L607 A608 | A606-E610 PolarHBondContact O-N 3.15Å; L607-E610 PolarHBondContact O-N 3.5Å; A608-E610 VanDerWaalsContact C-N 3.28Å; A608-E610 PolarHBondContact O-N 2.73Å |
| 611 | S | 94.9 | Very high | 94.3 | Very high | 39 Ų | 39 | 60.8 Ų | 60.8 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -99.7 | 0.1 | -171.1 | -54.1 | 0 | 0 | 0 | 0 | 114.7 | L607 A608 E613 | L607-S611 VanDerWaalsContact O-CB 3.23Å; L607-S611 WeakPolarHBondContact O-CB 3.37Å; L607-S611 PolarHBondContact O-N 3.4Å; L607-S611 PolarHBondContact O-OG 2.94Å; A608-S611 PolarHBondContact O-N 2.86Å; S611-E613 PolarHBondContact O-N 3.4Å |
| 612 | V | 95.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | trans | -75.9 | 118 | 172.9 | 175 | 0 | 0 | 0 | 0 | 108.6 | Y541 I543 A565 L569 A608 | Y541-V612 HydrophobicContact CD1-CG1 3.8Å; Y541-V612 HydrophobicContact CG-CG1 4.15Å; I543-V612 HydrophobicContact CD1-CG2 3.87Å; A565-V612 HydrophobicContact CB-CG2 3.8Å; L569-V612 HydrophobicContact CD1-CG1 4.13Å; L569-V612 HydrophobicContact CD2-CG1 3.91Å; L569-V612 HydrophobicContact CG-CG1 4.26Å; A608-V612 WeakPolarHBondContact O-CG2 3.42Å; A608-V612 PolarHBondContact O-N 3.47Å | ||
| 613 | E | 97 | Very high | 94.6 | Very high | 98 Ų | 98 | 69.3 Ų | 69.3 | 46% | 0.458 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.3 | -179.1 | -66.9 | 175.2 | -131.6 | 0 | 0 | 110.4 | A518 Y541 V542 S611 | A518-E613 HydrophobicContact CB-CB 4.09Å; A518-E613 WeakPolarHBondContact CB-OE2 3.43Å; Y541-E613 CarbonylContact C-O 3.6Å; Y541-E613 VanDerWaalsContact CA-O 3.23Å; Y541-E613 WeakPolarHBondContact CA-O 3.47Å; V542-E613 HydrophobicContact CG2-CB 4.13Å; V542-E613 PolarHBondContact N-O 3.46Å; V542-E613 PolarHBondContact O-N 3.47Å; S611-E613 PolarHBondContact O-N 3.4Å |
| 614 | E | 97.2 | Very high | 94.6 | Very high | 121 Ų | 121 | 64.4 Ų | 64.4 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133.6 | 171.6 | -170.1 | 170.9 | 179.1 | 0 | 0 | 110 | Y541 | Y541-E614 HydrophobicContact CD1-CB 3.87Å; Y541-E614 HydrophobicContact CD1-CG 4.25Å; Y541-E614 HydrophobicContact CE1-CB 3.61Å; Y541-E614 HydrophobicContact CE1-CG 3.8Å |
| 615 | V | 97.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 113.2 | 175.6 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | A518 V521 W522 F540 V542 L617 | A518-V615 HydrophobicContact CB-CG2 3.96Å; V521-V615 HydrophobicContact CG1-CG1 3.96Å; V521-V615 HydrophobicContact CG1-CG2 3.78Å; W522-V615 HydrophobicContact CE3-CG1 4.41Å; F540-V615 HydrophobicContact CB-CB 4.41Å; F540-V615 HydrophobicContact CD1-CB 3.47Å; F540-V615 VanDerWaalsContact CD1-CB 3.47Å; F540-V615 HydrophobicContact CD1-CG1 3.65Å; F540-V615 HydrophobicContact CD1-CG2 4.03Å; F540-V615 HydrophobicContact CE1-CB 3.85Å; F540-V615 HydrophobicContact CE1-CG1 3.8Å; F540-V615 HydrophobicContact CE1-CG2 3.99Å; F540-V615 HydrophobicContact CG-CB 4.04Å; F540-V615 HydrophobicContact CG-CG2 4.49Å; F540-V615 HydrophobicContact CZ-CG2 4.44Å; F540-V615 PolarHBondContact O-N 3.12Å; V542-V615 HydrophobicContact CB-CG2 4.31Å; V542-V615 HydrophobicContact CG1-CG2 3.75Å; V542-V615 HydrophobicContact CG2-CG2 3.73Å; V615-L617 PolarHBondContact O-N 2.7Å |
| 616 | P | 95.7 | Very high | 94.6 | Very high | 81 Ų | 81 | 72.4 Ų | 72.4 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | trans | -63.6 | 135.6 | 176.6 | 26.4 | -32.8 | 0 | 0 | 0 | 109.9 | Q618 | P616-Q618 PolarHBondContact O-N 2.98Š| ||
| 617 | L | 96.4 | Very high | 94.5 | Very high | 64 Ų | 64 | 72.4 Ų | 72.4 | 34% | 0.335 | 39% | 0.387 | S | S | . | . | trans | -63.1 | 134.1 | 174.4 | -61.4 | -178.8 | 0 | 0 | 0 | 110.1 | W522 L533 A538 F540 V615 | W522-L617 HydrophobicContact CH2-CB 4.46Å; W522-L617 HydrophobicContact CH2-CD2 3.93Å; W522-L617 HydrophobicContact CZ3-CD2 3.68Å; L533-L617 HydrophobicContact CB-CD2 4.13Å; A538-L617 WeakPolarHBondContact O-CD1 3.45Å; F540-L617 HydrophobicContact CB-CD2 4.36Å; V615-L617 PolarHBondContact O-N 2.7Å | ||
| 618 | Q | 96.2 | Very high | 94.3 | Very high | 81 Ų | 81 | 72.7 Ų | 72.7 | 38% | 0.379 | 39% | 0.393 | S | S | . | . | trans | -121.3 | 165.1 | 177.9 | -55 | 176.2 | 26.8 | 0 | 0 | 110 | W522 N534 P616 | W522-Q618 HydrophobicContact CD2-CB 4.1Å; W522-Q618 HydrophobicContact CD2-CG 4.41Å; W522-Q618 HydrophobicContact CG-CB 4.14Å; W522-Q618 HydrophobicContact CG-CG 4.27Å; W522-Q618 HydrophobicContact CZ2-CB 4.38Å; W522-Q618 WeakPolarHBondContact CZ2-O 3.43Å; N534-Q618 PolarHBondContact ND2-O 2.97Å; N534-Q618 PolarHBondContact OD1-O 3.28Å; P616-Q618 PolarHBondContact O-N 2.98Å | ||
| 619 | P | 95.5 | Very high | 94.1 | Very high | 112 Ų | 112 | 76.9 Ų | 76.9 | 73% | 0.727 | 42% | 0.42 | S | S | * | . | trans | -55.6 | 153.6 | 168.9 | -24.5 | 35.3 | 0 | 0 | 0 | 111.7 | W522 N621 | W522-P619 PolarHBondContact NE1-O 2.98Å; W522-P619 VanDerWaalsContact NE1-O 3.13Å; P619-N621 PolarHBondContact O-N 2.78Å; P619-N621 VanDerWaalsContact O-N 3.13Å | ||
| 620 | V | 96.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 74.4 Ų | 74.4 | 35% | 0.352 | 42% | 0.415 | S | S | . | . | trans | -59 | 120.8 | 174.4 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | Q527 Q530 A531 P622 | Q527-V620 HydrophobicContact CB-CG1 3.96Å; Q527-V620 HydrophobicContact CG-CG1 4.2Å; Q530-V620 HydrophobicContact CB-CG2 4.2Å; A531-V620 HydrophobicContact CB-CG2 3.98Å; V620-P622 WeakPolarHBondContact O-CD 3.46Å | ||
| 621 | N | 94.7 | Very high | 94.2 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | trans | -83 | 114.1 | 179.6 | 172.3 | 3.7 | 0 | 0 | 0 | 109.2 | P619 H623 S624 | P619-N621 PolarHBondContact O-N 2.78Å; P619-N621 VanDerWaalsContact O-N 3.13Å; N621-H623 PolarHBondContact O-N 3.06Å; N621-H623 VanDerWaalsContact O-N 3.12Å; N621-H623 WeakPolarHBondContact OD1-CB 3.4Å; N621-H623 PolarHBondContact OD1-N 3.26Å; N621-S624 VanDerWaalsContact CB-OG 3.28Å; N621-S624 WeakPolarHBondContact CB-OG 3.38Å; N621-S624 WeakPolarHBondContact O-CB 3.19Å; N621-S624 PolarHBondContact O-N 3.38Å; N621-S624 PolarHBondContact O-OG 2.9Å | ||
| 622 | P | 94 | Very high | 94.1 | Very high | 93 Ų | 93 | 68.4 Ų | 68.4 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.7 | -175.7 | 29.7 | -37 | 0 | 0 | 0 | 113.9 | Q527 V620 | Q527-P622 PolarHBondContact NE2-O 2.9Å; V620-P622 WeakPolarHBondContact O-CD 3.46Å |
| 623 | H | 94.7 | Very high | 93.8 | Very high | 171 Ų | 171 | 73.4 Ų | 73.4 | 79% | 0.792 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -7.8 | 175.6 | -59.4 | -61.9 | 0 | 0 | 0 | 113.5 | N621 | N621-H623 PolarHBondContact O-N 3.06Å; N621-H623 VanDerWaalsContact O-N 3.12Å; N621-H623 WeakPolarHBondContact OD1-CB 3.4Å; N621-H623 PolarHBondContact OD1-N 3.26Å |
| 624 | S | 93.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 72.4 Ų | 72.4 | 4% | 0.035 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -71.4 | 149.8 | 173.4 | -33 | 0 | 0 | 0 | 0 | 109.3 | S523 L525 Q527 Q530 N621 | S523-S624 WeakPolarHBondContact O-CB 3.39Å; S523-S624 PolarHBondContact O-OG 3.49Å; L525-S624 WeakPolarHBondContact O-CB 3.39Å; Q527-S624 WeakPolarHBondContact CG-O 3.43Å; Q527-S624 PolarHBondContact NE2-O 2.79Å; Q530-S624 VanDerWaalsContact NE2-CB 3.3Å; Q530-S624 PolarHBondContact NE2-OG 3.43Å; N621-S624 VanDerWaalsContact CB-OG 3.28Å; N621-S624 WeakPolarHBondContact CB-OG 3.38Å; N621-S624 WeakPolarHBondContact O-CB 3.19Å; N621-S624 PolarHBondContact O-N 3.38Å; N621-S624 PolarHBondContact O-OG 2.9Å |
| 625 | A | 92.5 | Very high | 93.4 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 60% | 0.603 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 154.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P526 Q527 | P526-A625 CarbonylContact C-O 3.54Å; P526-A625 VanDerWaalsContact CA-O 3.24Å; P526-A625 WeakPolarHBondContact CA-O 3.44Å; Q527-A625 PolarHBondContact N-O 2.68Å |
| 626 | N | 93.4 | Very high | 93.3 | Very high | 95 Ų | 95 | 70 Ų | 70 | 51% | 0.508 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 162.1 | 160 | -69.5 | -50.5 | 0 | 0 | 0 | 109.1 | E528 | E528-N626 WeakPolarHBondContact OE1-CB 3.42Å; E528-N626 WeakPolarHBondContact OE2-CA 3.5Å |
| 627 | R | 90.7 | Very high | 93.3 | Very high | 48 Ų | 48 | 71.6 Ų | 71.6 | 18% | 0.181 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 123.2 | 174.5 | -168.9 | 178.8 | -76.8 | 144.9 | -4.4 | 108.9 | I495 D496 E502 P526 E528 | I495-R627 PolarHBondContact O-NE 3.19Å; D496-R627 WeakPolarHBondContact O-CD 3.42Å; D496-R627 WeakPolarHBondContact O-CG 3.32Å; E502-R627 IonicContact OE1-CZ 2.73Å; E502-R627 IonicContact OE1-NH1 2.6Å; E502-R627 PolarHBondContact OE1-NH1 3.25Å; E502-R627 VanDerWaalsContact OE1-NH1 3.08Å; E502-R627 IonicContact OE1-NH2 3.16Å; E502-R627 PolarHBondContact OE1-NH2 3.37Å; E502-R627 IonicContact OE2-NH2 2.81Å; P526-R627 HydrophobicContact CB-CB 4.24Å; E528-R627 PolarHBondContact OE1-N 2.93Å; E528-R627 VanDerWaalsContact OE1-N 3.16Å; E528-R627 PolarHBondContact OE2-N 3.47Å |
| 628 | P | 89 | Confident | 93.3 | Very high | 63 Ų | 63 | 71.5 Ų | 71.5 | 41% | 0.409 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 157.8 | -177.3 | 28.1 | -34.9 | 0 | 0 | 0 | 111.2 | D496 | D496-P628 HydrophobicContact CB-CG 3.95Š|
| 629 | P | 89.8 | Confident | 93.3 | Very high | 89 Ų | 89 | 67.8 Ų | 67.8 | 58% | 0.578 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 142.8 | 171.2 | 29.3 | -35.2 | 0 | 0 | 0 | 110.2 | V631 | P629-V631 WeakPolarHBondContact CB-O 3.41Å; P629-V631 PolarHBondContact O-N 3.25Å |
| 630 | V | 90.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 66 Ų | 66 | 24% | 0.242 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -67.1 | -27.4 | -174.5 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | K497 A644 L647 A648 | K497-V630 HydrophobicContact CD-CG1 4.28Å; K497-V630 HydrophobicContact CG-CG1 4.35Å; K497-V630 HydrophobicContact CG-CG2 4.39Å; V630-A644 HydrophobicContact CB-CB 4.37Å; V630-L647 HydrophobicContact CG1-CB 3.68Å; V630-A648 HydrophobicContact CG2-CB 3.93Å |
| 631 | V | 93 | Very high | 93.1 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -134.1 | 158 | 173.9 | -58.7 | 0 | 0 | 0 | 0 | 108.4 | P629 A635 V639 K640 A644 L647 W672 | P629-V631 WeakPolarHBondContact CB-O 3.41Å; P629-V631 PolarHBondContact O-N 3.25Å; V631-A635 HydrophobicContact CG2-CB 4.22Å; V631-V639 HydrophobicContact CG1-CG1 4.36Å; V631-V639 HydrophobicContact CG2-CG1 4.4Å; V631-K640 HydrophobicContact CG2-CG 4.2Å; V631-A644 HydrophobicContact CG1-CB 4.09Å; V631-A644 HydrophobicContact CG2-CB 3.74Å; V631-L647 HydrophobicContact CG1-CD1 3.99Å; V631-W672 HydrophobicContact CB-CB 4.37Å; V631-W672 HydrophobicContact CG1-CB 4.39Å |
| 632 | S | 91.4 | Very high | 93.2 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 43% | 0.427 | 38% | 0.383 | S | S | . | . | trans | -59.7 | 145.6 | 176.6 | 178.6 | 0 | 0 | 0 | 0 | 112.5 | A634 A635 | S632-A634 PolarHBondContact O-N 3.07Å; S632-A634 VanDerWaalsContact O-N 3.15Å; S632-A634 PolarHBondContact OG-N 2.93Å; S632-A635 WeakPolarHBondContact O-CB 3.26Å; S632-A635 PolarHBondContact O-N 3.37Å | ||
| 633 | D | 90.8 | Very high | 93.2 | Very high | 130 Ų | 130 | 61.2 Ų | 61.2 | 70% | 0.695 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.1 | 172 | -71 | -32.7 | 0 | 0 | 0 | 113.3 | A635 | D633-A635 PolarHBondContact O-N 3.12Š|
| 634 | A | 91.6 | Very high | 93.2 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 63% | 0.628 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -8.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S632 W672 | S632-A634 PolarHBondContact O-N 3.07Å; S632-A634 VanDerWaalsContact O-N 3.15Å; S632-A634 PolarHBondContact OG-N 2.93Å; A634-W672 HydrophobicContact CB-CH2 4.31Å; A634-W672 HydrophobicContact CB-CZ3 4.05Å; A634-W672 WeakPolarHBondContact O-CH2 3.4Å |
| 635 | A | 94.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -68.7 | 151.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V631 S632 D633 V639 K640 W672 | V631-A635 HydrophobicContact CG2-CB 4.22Å; S632-A635 WeakPolarHBondContact O-CB 3.26Å; S632-A635 PolarHBondContact O-N 3.37Å; D633-A635 PolarHBondContact O-N 3.12Å; A635-V639 HydrophobicContact CB-CB 4.06Å; A635-V639 HydrophobicContact CB-CG1 3.85Å; A635-K640 HydrophobicContact CB-CG 3.95Å; A635-K640 VanDerWaalsContact O-CD 3.28Å; A635-K640 WeakPolarHBondContact O-CD 3.29Å; A635-K640 WeakPolarHBondContact O-CE 3.44Å; A635-K640 PolarHBondContact O-NZ 2.88Å; A635-W672 HydrophobicContact CB-CB 4.35Å; A635-W672 HydrophobicContact CB-CD2 3.59Å; A635-W672 HydrophobicContact CB-CE3 3.74Å; A635-W672 HydrophobicContact CB-CG 3.87Å; A635-W672 HydrophobicContact CB-CZ3 4.27Å |
| 636 | P | 95.1 | Very high | 93.3 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | trans | -56.5 | 153.5 | 174.3 | -24.1 | 33.1 | 0 | 0 | 0 | 112.4 | F638 V639 K640 | P636-F638 VanDerWaalsContact C-N 3.35Å; P636-F638 PolarHBondContact O-N 2.83Å; P636-V639 HydrophobicContact CB-CG2 4.17Å; P636-V639 HydrophobicContact CG-CG2 4.17Å; P636-V639 WeakPolarHBondContact O-CA 3.48Å; P636-V639 WeakPolarHBondContact O-CB 3.12Å; P636-V639 PolarHBondContact O-N 2.78Å; P636-K640 PolarHBondContact O-N 2.98Å | ||
| 637 | D | 95.9 | Very high | 93.2 | Very high | 116 Ų | 116 | 49.5 Ų | 49.5 | 62% | 0.62 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56.3 | -46 | -174.3 | -70.5 | -16.8 | 0 | 0 | 0 | 113 | V639 K640 T641 | D637-V639 PolarHBondContact O-N 3.27Å; D637-K640 PolarHBondContact O-N 3.16Å; D637-K640 VanDerWaalsContact O-N 3.08Å; D637-K640 WeakPolarHBondContact OD1-CE 3.24Å; D637-K640 IonicContact OD1-NZ 2.99Å; D637-K640 PolarHBondContact OD1-NZ 3.42Å; D637-T641 WeakPolarHBondContact O-CG2 3.26Å; D637-T641 PolarHBondContact O-N 3.26Å; D637-T641 PolarHBondContact O-OG1 2.76Å |
| 638 | F | 95.9 | Very high | 93.2 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.9 | -35 | 175.8 | -169.8 | -85.1 | 0 | 0 | 0 | 112.5 | P636 V642 T643 W665 P666 | P636-F638 VanDerWaalsContact C-N 3.35Å; P636-F638 PolarHBondContact O-N 2.83Å; F638-V642 HydrophobicContact CD1-CB 4.17Å; F638-V642 HydrophobicContact CD2-CB 4.46Å; F638-V642 HydrophobicContact CD2-CG2 3.95Å; F638-V642 HydrophobicContact CE1-CB 3.92Å; F638-V642 HydrophobicContact CE1-CG1 4.03Å; F638-V642 HydrophobicContact CE1-CG2 4.39Å; F638-V642 HydrophobicContact CE2-CB 4.21Å; F638-V642 HydrophobicContact CE2-CG1 4.39Å; F638-V642 HydrophobicContact CE2-CG2 3.79Å; F638-V642 HydrophobicContact CG-CB 4.45Å; F638-V642 HydrophobicContact CG-CG2 4.32Å; F638-V642 HydrophobicContact CZ-CB 3.94Å; F638-V642 HydrophobicContact CZ-CG1 3.82Å; F638-V642 HydrophobicContact CZ-CG2 4.04Å; F638-V642 WeakPolarHBondContact O-CA 3.37Å; F638-V642 WeakPolarHBondContact O-CB 3.44Å; F638-V642 PolarHBondContact O-N 3.12Å; F638-T643 PolarHBondContact O-N 2.77Å; F638-W665 HydrophobicContact CE1-CD2 4.43Å; F638-W665 AromaticContact CE1-CE3 3.57Å; F638-W665 HydrophobicContact CE1-CE3 3.57Å; F638-W665 HydrophobicContact CE1-CH2 4.25Å; F638-W665 AromaticContact CE1-CZ3 3.47Å; F638-W665 HydrophobicContact CE1-CZ3 3.47Å; F638-W665 VanDerWaalsContact CE1-CZ3 3.47Å; F638-W665 HydrophobicContact CZ-CE3 4.08Å; F638-W665 HydrophobicContact CZ-CH2 4.24Å; F638-W665 AromaticContact CZ-CZ3 3.9Å; F638-W665 HydrophobicContact CZ-CZ3 3.9Å; F638-P666 HydrophobicContact CD1-CG 3.49Å; F638-P666 VanDerWaalsContact CD1-CG 3.49Å; F638-P666 HydrophobicContact CE1-CG 3.85Å; F638-P666 HydrophobicContact CG-CG 4.26Å |
| 639 | V | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -69.6 | -41.9 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | V631 A635 P636 D637 T643 A644 T669 W672 | V631-V639 HydrophobicContact CG1-CG1 4.36Å; V631-V639 HydrophobicContact CG2-CG1 4.4Å; A635-V639 HydrophobicContact CB-CB 4.06Å; A635-V639 HydrophobicContact CB-CG1 3.85Å; P636-V639 HydrophobicContact CB-CG2 4.17Å; P636-V639 HydrophobicContact CG-CG2 4.17Å; P636-V639 WeakPolarHBondContact O-CA 3.48Å; P636-V639 WeakPolarHBondContact O-CB 3.12Å; P636-V639 PolarHBondContact O-N 2.78Å; D637-V639 PolarHBondContact O-N 3.27Å; V639-T643 HydrophobicContact CG1-CG2 4.1Å; V639-T643 WeakPolarHBondContact O-CB 3.32Å; V639-T643 PolarHBondContact O-N 2.98Å; V639-A644 WeakPolarHBondContact O-CB 3.24Å; V639-A644 PolarHBondContact O-N 3.29Å; V639-T669 HydrophobicContact CG2-CG2 3.76Å; V639-W672 HydrophobicContact CG1-CB 3.98Å; V639-W672 HydrophobicContact CG1-CG 4.04Å |
| 640 | K | 94.8 | Very high | 93.3 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -69.1 | -33.7 | 178.4 | -67.5 | 179.3 | -60.7 | -165.6 | 0 | 113.2 | V631 A635 P636 D637 A644 | V631-K640 HydrophobicContact CG2-CG 4.2Å; A635-K640 HydrophobicContact CB-CG 3.95Å; A635-K640 VanDerWaalsContact O-CD 3.28Å; A635-K640 WeakPolarHBondContact O-CD 3.29Å; A635-K640 WeakPolarHBondContact O-CE 3.44Å; A635-K640 PolarHBondContact O-NZ 2.88Å; P636-K640 PolarHBondContact O-N 2.98Å; D637-K640 PolarHBondContact O-N 3.16Å; D637-K640 VanDerWaalsContact O-N 3.08Å; D637-K640 WeakPolarHBondContact OD1-CE 3.24Å; D637-K640 IonicContact OD1-NZ 2.99Å; D637-K640 PolarHBondContact OD1-NZ 3.42Å; K640-A644 WeakPolarHBondContact O-CB 3.45Å |
| 641 | T | 94 | Very high | 93.5 | Very high | 90 Ų | 90 | 45.1 Ų | 45.1 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | I | π-helix | trans | -97.4 | -36 | -173.3 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | D637 | D637-T641 WeakPolarHBondContact O-CG2 3.26Å; D637-T641 PolarHBondContact O-N 3.26Å; D637-T641 PolarHBondContact O-OG1 2.76Å |
| 642 | V | 96.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -106.9 | -59.3 | -175 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | F638 A644 A645 M646 L654 A658 L659 W665 | F638-V642 HydrophobicContact CD1-CB 4.17Å; F638-V642 HydrophobicContact CD2-CB 4.46Å; F638-V642 HydrophobicContact CD2-CG2 3.95Å; F638-V642 HydrophobicContact CE1-CB 3.92Å; F638-V642 HydrophobicContact CE1-CG1 4.03Å; F638-V642 HydrophobicContact CE1-CG2 4.39Å; F638-V642 HydrophobicContact CE2-CB 4.21Å; F638-V642 HydrophobicContact CE2-CG1 4.39Å; F638-V642 HydrophobicContact CE2-CG2 3.79Å; F638-V642 HydrophobicContact CG-CB 4.45Å; F638-V642 HydrophobicContact CG-CG2 4.32Å; F638-V642 HydrophobicContact CZ-CB 3.94Å; F638-V642 HydrophobicContact CZ-CG1 3.82Å; F638-V642 HydrophobicContact CZ-CG2 4.04Å; F638-V642 WeakPolarHBondContact O-CA 3.37Å; F638-V642 WeakPolarHBondContact O-CB 3.44Å; F638-V642 PolarHBondContact O-N 3.12Å; V642-A644 VanDerWaalsContact C-N 3.35Å; V642-A644 PolarHBondContact O-N 3.43Å; V642-A645 PolarHBondContact O-N 2.99Å; V642-M646 HydrophobicContact CG1-SD 4.35Å; V642-M646 PolarHBondContact O-N 2.63Å; V642-M646 VanDerWaalsContact O-N 3.1Å; V642-L654 HydrophobicContact CG1-CD1 3.81Å; V642-A658 HydrophobicContact CG2-CB 4.32Å; V642-L659 HydrophobicContact CG1-CD2 4.05Å; V642-W665 HydrophobicContact CG1-CH2 3.91Å; V642-W665 HydrophobicContact CG1-CZ3 4.17Å |
| 643 | T | 95 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -60 | -44.1 | -177.9 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | F638 V639 A645 M646 L647 P856 | F638-T643 PolarHBondContact O-N 2.77Å; V639-T643 HydrophobicContact CG1-CG2 4.1Å; V639-T643 WeakPolarHBondContact O-CB 3.32Å; V639-T643 PolarHBondContact O-N 2.98Å; T643-A645 PolarHBondContact O-N 3.3Å; T643-M646 PolarHBondContact O-N 3.48Å; T643-L647 HydrophobicContact CG2-CD1 3.85Å; T643-L647 HydrophobicContact CG2-CG 4.24Å; T643-L647 WeakPolarHBondContact O-CB 3.33Å; T643-L647 WeakPolarHBondContact O-CG 3.49Å; T643-L647 PolarHBondContact O-N 3.2Å; T643-P856 HydrophobicContact CG2-CB 3.93Å; T643-P856 HydrophobicContact CG2-CG 4.18Å; T643-P856 WeakPolarHBondContact CG2-O 3.42Å |
| 644 | A | 94.2 | Very high | 94 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V630 V631 V639 K640 V642 L647 A648 | V630-A644 HydrophobicContact CB-CB 4.37Å; V631-A644 HydrophobicContact CG1-CB 4.09Å; V631-A644 HydrophobicContact CG2-CB 3.74Å; V639-A644 WeakPolarHBondContact O-CB 3.24Å; V639-A644 PolarHBondContact O-N 3.29Å; K640-A644 WeakPolarHBondContact O-CB 3.45Å; V642-A644 VanDerWaalsContact C-N 3.35Å; V642-A644 PolarHBondContact O-N 3.43Å; A644-L647 PolarHBondContact O-N 3.03Å; A644-A648 WeakPolarHBondContact O-CB 3.39Å; A644-A648 PolarHBondContact O-N 2.92Å |
| 645 | A | 94.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V642 T643 A648 G649 L650 G651 L654 | V642-A645 PolarHBondContact O-N 2.99Å; T643-A645 PolarHBondContact O-N 3.3Å; A645-A648 WeakPolarHBondContact O-CB 3.42Å; A645-A648 PolarHBondContact O-N 3.45Å; A645-G649 PolarHBondContact O-N 3.01Å; A645-L650 CarbonylContact O-C 3.57Å; A645-L650 WeakPolarHBondContact O-CA 3.41Å; A645-L650 WeakPolarHBondContact O-CB 3.32Å; A645-L650 PolarHBondContact O-N 3.07Å; A645-G651 PolarHBondContact O-N 2.73Å; A645-L654 HydrophobicContact CB-CD1 4.39Å; A645-L654 HydrophobicContact CB-CD2 4.02Å; A645-L654 HydrophobicContact CB-CG 4.26Å |
| 646 | M | 93.7 | Very high | 94.4 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 27% | 0.271 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 175 | -66.8 | 175.9 | 69.7 | 0 | 0 | 111.9 | V642 T643 A648 G649 L654 W665 L855 P856 | V642-M646 HydrophobicContact CG1-SD 4.35Å; V642-M646 PolarHBondContact O-N 2.63Å; V642-M646 VanDerWaalsContact O-N 3.1Å; T643-M646 PolarHBondContact O-N 3.48Å; M646-A648 PolarHBondContact O-N 3.2Å; M646-G649 PolarHBondContact O-N 3.3Å; M646-L654 HydrophobicContact CG-CD1 3.6Å; M646-L654 HydrophobicContact SD-CD1 4.2Å; M646-W665 HydrophobicContact CE-CH2 4.25Å; M646-W665 HydrophobicContact SD-CH2 3.5Å; M646-W665 WeakPolarHBondContact SD-CH2 3.19Å; M646-W665 HydrophobicContact SD-CZ2 4.43Å; M646-W665 HydrophobicContact SD-CZ3 4.09Å; M646-L855 HydrophobicContact CE-CB 4.19Å; M646-P856 HydrophobicContact CB-CB 3.79Å; M646-P856 HydrophobicContact CB-CG 3.76Å; M646-P856 HydrophobicContact CE-CB 3.84Å; M646-P856 HydrophobicContact CG-CB 4.38Å; M646-P856 HydrophobicContact SD-CB 3.74Å |
| 647 | L | 90.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -30.3 | 176.2 | -73.1 | 175.3 | 0 | 0 | 0 | 112.4 | K497 Y498 V630 V631 T643 A644 G649 E673 P856 | K497-L647 WeakPolarHBondContact CE-O 3.33Å; Y498-L647 VanDerWaalsContact CE1-O 3.25Å; Y498-L647 WeakPolarHBondContact CE1-O 3.26Å; V630-L647 HydrophobicContact CG1-CB 3.68Å; V631-L647 HydrophobicContact CG1-CD1 3.99Å; T643-L647 HydrophobicContact CG2-CD1 3.85Å; T643-L647 HydrophobicContact CG2-CG 4.24Å; T643-L647 WeakPolarHBondContact O-CB 3.33Å; T643-L647 WeakPolarHBondContact O-CG 3.49Å; T643-L647 PolarHBondContact O-N 3.2Å; A644-L647 PolarHBondContact O-N 3.03Å; L647-G649 PolarHBondContact O-N 3.38Å; L647-E673 HydrophobicContact CD1-CG 4.11Å; L647-E673 HydrophobicContact CD2-CG 4.05Å; L647-P856 HydrophobicContact CD2-CG 3.69Å; L647-P856 HydrophobicContact CG-CG 3.72Å |
| 648 | A | 90.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -2.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y498 V630 A644 A645 M646 L650 | Y498-A648 WeakPolarHBondContact CD1-O 3.41Å; V630-A648 HydrophobicContact CG2-CB 3.93Å; A644-A648 WeakPolarHBondContact O-CB 3.39Å; A644-A648 PolarHBondContact O-N 2.92Å; A645-A648 WeakPolarHBondContact O-CB 3.42Å; A645-A648 PolarHBondContact O-N 3.45Å; M646-A648 PolarHBondContact O-N 3.2Å; A648-L650 VanDerWaalsContact C-N 3.3Å; A648-L650 HydrophobicContact CB-CB 4.48Å; A648-L650 HydrophobicContact CB-CD1 4.1Å; A648-L650 HydrophobicContact CB-CG 4.08Å |
| 649 | G | 89.2 | Confident | 94.7 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 22.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A645 M646 L647 | A645-G649 PolarHBondContact O-N 3.01Å; M646-G649 PolarHBondContact O-N 3.3Å; L647-G649 PolarHBondContact O-N 3.38Å |
| 650 | L | 92.3 | Very high | 94.6 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | trans | -111.4 | 18.2 | 179.2 | -58.9 | 175.9 | 0 | 0 | 0 | 112.2 | A645 A648 D652 A653 | A645-L650 CarbonylContact O-C 3.57Å; A645-L650 WeakPolarHBondContact O-CA 3.41Å; A645-L650 WeakPolarHBondContact O-CB 3.32Å; A645-L650 PolarHBondContact O-N 3.07Å; A648-L650 VanDerWaalsContact C-N 3.3Å; A648-L650 HydrophobicContact CB-CB 4.48Å; A648-L650 HydrophobicContact CB-CD1 4.1Å; A648-L650 HydrophobicContact CB-CG 4.08Å; L650-D652 PolarHBondContact O-N 3.26Å; L650-A653 WeakPolarHBondContact O-CB 3.35Å; L650-A653 PolarHBondContact O-N 3.06Å | ||
| 651 | G | 93.7 | Very high | 94.7 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -60.1 | -30 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A645 A653 L654 | A645-G651 PolarHBondContact O-N 2.73Å; G651-A653 PolarHBondContact O-N 2.79Å; G651-L654 WeakPolarHBondContact O-CB 3.34Å; G651-L654 PolarHBondContact O-N 3.08Å |
| 652 | D | 93.6 | Very high | 94.8 | Very high | 100 Ų | 100 | 46.7 Ų | 46.7 | 54% | 0.535 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -65.2 | -21.1 | 175.2 | -66.9 | -72.7 | 0 | 0 | 0 | 113.9 | K369 L650 L654 | K369-D652 IonicContact NZ-OD1 3.18Å; K369-D652 PolarHBondContact NZ-OD1 3.06Å; L650-D652 PolarHBondContact O-N 3.26Å; D652-L654 VanDerWaalsContact C-N 3.34Å |
| 653 | A | 94.5 | Very high | 94.8 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 65% | 0.645 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -83.3 | -10.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L650 G651 | L650-A653 WeakPolarHBondContact O-CB 3.35Å; L650-A653 PolarHBondContact O-N 3.06Å; G651-A653 PolarHBondContact O-N 2.79Å |
| 654 | L | 97.4 | Very high | 94.8 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | trans | -70.5 | 130.9 | 179.3 | -70.1 | 169 | 0 | 0 | 0 | 110.8 | V642 A645 M646 G651 D652 A658 L659 | V642-L654 HydrophobicContact CG1-CD1 3.81Å; A645-L654 HydrophobicContact CB-CD1 4.39Å; A645-L654 HydrophobicContact CB-CD2 4.02Å; A645-L654 HydrophobicContact CB-CG 4.26Å; M646-L654 HydrophobicContact CG-CD1 3.6Å; M646-L654 HydrophobicContact SD-CD1 4.2Å; G651-L654 WeakPolarHBondContact O-CB 3.34Å; G651-L654 PolarHBondContact O-N 3.08Å; D652-L654 VanDerWaalsContact C-N 3.34Å; L654-A658 HydrophobicContact CB-CB 4.47Å; L654-A658 HydrophobicContact CD2-CB 4.22Å; L654-L659 HydrophobicContact CD1-CD2 4.49Å | ||
| 655 | P | 98 | Very high | 94.9 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 20% | 0.195 | 34% | 0.343 | C | S | . | . | trans | -71.9 | 165.2 | 174.5 | 27.9 | -32.2 | 0 | 0 | 0 | 112.1 | Y397 D399 S657 A658 | Y397-P655 HydrophobicContact CD1-CB 3.72Å; Y397-P655 HydrophobicContact CE1-CB 4.24Å; Y397-P655 WeakPolarHBondContact O-CA 3.43Å; D399-P655 WeakPolarHBondContact OD1-CB 3.47Å; P655-S657 VanDerWaalsContact C-N 3.26Å; P655-S657 PolarHBondContact O-N 3.03Å; P655-A658 HydrophobicContact CG-CB 3.92Å; P655-A658 WeakPolarHBondContact O-CB 3.3Å; P655-A658 PolarHBondContact O-N 3.04Å; P655-A658 VanDerWaalsContact O-N 3.14Å | ||
| 656 | V | 98.4 | Very high | 94.8 | Very high | 58 Ų | 58 | 55 Ų | 55 | 35% | 0.352 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -56.3 | -40.3 | 172.4 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | I396 Y397 D398 V400 A658 L659 | I396-V656 HydrophobicContact CD1-CG2 4.25Å; Y397-V656 PolarHBondContact O-N 2.9Å; D398-V656 HydrophobicContact CB-CG2 3.86Å; V400-V656 HydrophobicContact CB-CG1 4.15Å; V400-V656 HydrophobicContact CG2-CB 4.16Å; V400-V656 HydrophobicContact CG2-CG1 3.83Å; V656-A658 PolarHBondContact O-N 3.17Å; V656-L659 PolarHBondContact O-N 2.91Å |
| 657 | S | 97.8 | Very high | 94.9 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 49% | 0.49 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -64.1 | -19 | 179.8 | 68.9 | 0 | 0 | 0 | 0 | 114.9 | D399 P655 L659 | D399-S657 VanDerWaalsContact CG-OG 3.29Å; D399-S657 WeakPolarHBondContact OD1-CB 3.27Å; D399-S657 PolarHBondContact OD1-N 3.49Å; D399-S657 PolarHBondContact OD1-OG 3.43Å; D399-S657 WeakPolarHBondContact OD2-CB 3.29Å; D399-S657 PolarHBondContact OD2-OG 2.9Å; P655-S657 VanDerWaalsContact C-N 3.26Å; P655-S657 PolarHBondContact O-N 3.03Å; S657-L659 VanDerWaalsContact C-N 3.29Å |
| 658 | A | 97.3 | Very high | 95.1 | Very high | 24 Ų | 24 | 56 Ų | 56 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -78.2 | -14.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | V642 L654 P655 V656 | V642-A658 HydrophobicContact CG2-CB 4.32Å; L654-A658 HydrophobicContact CB-CB 4.47Å; L654-A658 HydrophobicContact CD2-CB 4.22Å; P655-A658 HydrophobicContact CG-CB 3.92Å; P655-A658 WeakPolarHBondContact O-CB 3.3Å; P655-A658 PolarHBondContact O-N 3.04Å; P655-A658 VanDerWaalsContact O-N 3.14Å; V656-A658 PolarHBondContact O-N 3.17Å |
| 659 | L | 96.5 | Very high | 95.4 | Very high | 77 Ų | 77 | 55.6 Ų | 55.6 | 40% | 0.403 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -107.9 | 143.1 | -171.1 | -57.5 | 177.8 | 0 | 0 | 0 | 111.8 | V642 L654 V656 S657 W665 | V642-L659 HydrophobicContact CG1-CD2 4.05Å; L654-L659 HydrophobicContact CD1-CD2 4.49Å; V656-L659 PolarHBondContact O-N 2.91Å; S657-L659 VanDerWaalsContact C-N 3.29Å; L659-W665 HydrophobicContact CD2-CH2 4.23Å; L659-W665 HydrophobicContact CD2-CZ2 4.2Å |
| 660 | P | 95.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | trans | -67.2 | 129.9 | 176.2 | 27.6 | -33.7 | 0 | 0 | 0 | 110.4 | D662 G663 T664 | P660-D662 VanDerWaalsContact C-N 3.26Å; P660-D662 PolarHBondContact O-N 3.45Å; P660-G663 PolarHBondContact O-N 3.35Å; P660-T664 VanDerWaalsContact CB-O 3.3Å; P660-T664 WeakPolarHBondContact CB-O 3.42Å; P660-T664 VanDerWaalsContact CG-O 3.26Å; P660-T664 WeakPolarHBondContact CG-O 3.47Å | ||
| 661 | P | 96.1 | Very high | 95.8 | Very high | 133 Ų | 133 | 54.8 Ų | 54.8 | 86% | 0.864 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.5 | -172 | 27.3 | -35.6 | 0 | 0 | 0 | 114.1 | ||
| 662 | D | 96.6 | Very high | 95.9 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -0.2 | 180 | 65.5 | -15.6 | 0 | 0 | 0 | 113.1 | P660 T664 | P660-D662 VanDerWaalsContact C-N 3.26Å; P660-D662 PolarHBondContact O-N 3.45Å; D662-T664 WeakPolarHBondContact OD1-CB 3Å; D662-T664 PolarHBondContact OD1-N 3.48Å; D662-T664 PolarHBondContact OD1-OG1 3.21Å; D662-T664 PolarHBondContact OD2-OG1 3.31Å |
| 663 | G | 95.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 22% | 0.216 | 30% | 0.304 | C | S | . | . | trans | 76.1 | 17.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P660 W665 | P660-G663 PolarHBondContact O-N 3.35Å; G663-W665 VanDerWaalsContact O-CD1 3.22Å; G663-W665 PolarHBondContact O-N 2.85Å | ||
| 664 | T | 95.9 | Very high | 95.5 | Very high | 93 Ų | 93 | 50.7 Ų | 50.7 | 57% | 0.571 | 29% | 0.285 | S | S | * | . | trans | -80.4 | 114.1 | 175.4 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | P660 D662 | P660-T664 VanDerWaalsContact CB-O 3.3Å; P660-T664 WeakPolarHBondContact CB-O 3.42Å; P660-T664 VanDerWaalsContact CG-O 3.26Å; P660-T664 WeakPolarHBondContact CG-O 3.47Å; D662-T664 WeakPolarHBondContact OD1-CB 3Å; D662-T664 PolarHBondContact OD1-N 3.48Å; D662-T664 PolarHBondContact OD1-OG1 3.21Å; D662-T664 PolarHBondContact OD2-OG1 3.31Å | ||
| 665 | W | 95.3 | Very high | 95 | Very high | 52 Ų | 52 | 51 Ų | 51 | 20% | 0.197 | 28% | 0.284 | C | S | . | . | trans | -104.2 | 152.3 | -178.2 | -76.6 | 77.7 | 0 | 0 | 0 | 113.4 | F638 V642 M646 L659 G663 L855 | F638-W665 HydrophobicContact CE1-CD2 4.43Å; F638-W665 AromaticContact CE1-CE3 3.57Å; F638-W665 HydrophobicContact CE1-CE3 3.57Å; F638-W665 HydrophobicContact CE1-CH2 4.25Å; F638-W665 AromaticContact CE1-CZ3 3.47Å; F638-W665 HydrophobicContact CE1-CZ3 3.47Å; F638-W665 VanDerWaalsContact CE1-CZ3 3.47Å; F638-W665 HydrophobicContact CZ-CE3 4.08Å; F638-W665 HydrophobicContact CZ-CH2 4.24Å; F638-W665 AromaticContact CZ-CZ3 3.9Å; F638-W665 HydrophobicContact CZ-CZ3 3.9Å; V642-W665 HydrophobicContact CG1-CH2 3.91Å; V642-W665 HydrophobicContact CG1-CZ3 4.17Å; M646-W665 HydrophobicContact CE-CH2 4.25Å; M646-W665 HydrophobicContact SD-CH2 3.5Å; M646-W665 WeakPolarHBondContact SD-CH2 3.19Å; M646-W665 HydrophobicContact SD-CZ2 4.43Å; M646-W665 HydrophobicContact SD-CZ3 4.09Å; L659-W665 HydrophobicContact CD2-CH2 4.23Å; L659-W665 HydrophobicContact CD2-CZ2 4.2Å; G663-W665 VanDerWaalsContact O-CD1 3.22Å; G663-W665 PolarHBondContact O-N 2.85Å; W665-L855 HydrophobicContact CB-CD2 4.12Å; W665-L855 HydrophobicContact CD2-CD1 4.12Å; W665-L855 HydrophobicContact CD2-CD2 3.39Å; W665-L855 HydrophobicContact CD2-CG 4.33Å; W665-L855 VanDerWaalsContact CE2-CD1 3.42Å; W665-L855 HydrophobicContact CE3-CD2 3.87Å; W665-L855 HydrophobicContact CG-CD1 4.44Å; W665-L855 HydrophobicContact CG-CD2 3.43Å; W665-L855 VanDerWaalsContact CG-CD2 3.43Å; W665-L855 HydrophobicContact CZ2-CD1 3.69Å; W665-L855 HydrophobicContact CZ2-CD2 4.37Å; W665-L855 VanDerWaalsContact NE1-CD1 3.28Å | ||
| 666 | P | 93.6 | Very high | 94.5 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 31% | 0.312 | 29% | 0.285 | S | S | . | . | trans | -65.5 | 143.9 | 170.9 | 27.8 | -33.9 | 0 | 0 | 0 | 111.2 | F638 T669 T858 | F638-P666 HydrophobicContact CD1-CG 3.49Å; F638-P666 VanDerWaalsContact CD1-CG 3.49Å; F638-P666 HydrophobicContact CE1-CG 3.85Å; F638-P666 HydrophobicContact CG-CG 4.26Å; P666-T669 HydrophobicContact CB-CG2 4.36Å; P666-T669 HydrophobicContact CG-CG2 4.11Å; P666-T669 WeakPolarHBondContact O-CG2 3.45Å; P666-T858 PolarHBondContact O-OG1 3.48Å | ||
| 667 | M | 94.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 50.8 Ų | 50.8 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -89.1 | 167.1 | 178.3 | 73 | -169.2 | -52.8 | 0 | 0 | 112.5 | T669 Y860 T862 P869 | M667-T669 VanDerWaalsContact C-N 3.35Å; M667-T669 PolarHBondContact O-N 3.48Å; M667-Y860 WeakPolarHBondContact CB-O 3.3Å; M667-T862 HydrophobicContact CE-CG2 4.04Å; M667-T862 HydrophobicContact CG-CG2 4.1Å; M667-T862 HydrophobicContact SD-CG2 3.37Å; M667-T862 WeakPolarHBondContact SD-CG2 3.31Å; M667-P869 WeakPolarHBondContact CE-O 3.45Å |
| 668 | G | 95.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | trans | 67.4 | 32.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R671 Y860 | G668-R671 WeakPolarHBondContact O-CD 3.45Å; G668-R671 VanDerWaalsContact O-CG 3.29Å; G668-R671 WeakPolarHBondContact O-CG 3.48Å; G668-Y860 WeakPolarHBondContact CA-O 3.41Å; G668-Y860 PolarHBondContact N-O 3Å | ||
| 669 | T | 96.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | trans | -89.8 | -18.7 | -173 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | V639 P666 M667 R671 W672 S857 T858 | V639-T669 HydrophobicContact CG2-CG2 3.76Å; P666-T669 HydrophobicContact CB-CG2 4.36Å; P666-T669 HydrophobicContact CG-CG2 4.11Å; P666-T669 WeakPolarHBondContact O-CG2 3.45Å; M667-T669 VanDerWaalsContact C-N 3.35Å; M667-T669 PolarHBondContact O-N 3.48Å; T669-R671 VanDerWaalsContact C-N 3.26Å; T669-R671 PolarHBondContact O-N 2.73Å; T669-W672 PolarHBondContact O-N 3.06Å; T669-S857 WeakPolarHBondContact OG1-CA 3.41Å; T669-T858 PolarHBondContact N-O 3.39Å; T669-T858 VanDerWaalsContact N-O 3.16Å; T669-T858 PolarHBondContact OG1-N 3.4Å; T669-T858 PolarHBondContact OG1-OG1 2.9Å; T669-T858 VanDerWaalsContact OG1-OG1 3.11Å | ||
| 670 | T | 95.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -61.2 | -31.3 | 176.4 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | W672 E673 E814 Y815 T858 P859 | T670-W672 PolarHBondContact O-N 3.07Å; T670-E673 WeakPolarHBondContact O-CB 3.45Å; T670-E673 PolarHBondContact O-N 2.86Å; T670-E814 PolarHBondContact OG1-O 3.28Å; T670-Y815 WeakPolarHBondContact CG2-O 3.19Å; T670-T858 PolarHBondContact N-O 2.79Å; T670-P859 HydrophobicContact CG2-CB 4.16Å; T670-P859 WeakPolarHBondContact OG1-CA 3.5Å |
| 671 | R | 95.1 | Very high | 92.7 | Very high | 92 Ų | 92 | 52.1 Ų | 52.1 | 35% | 0.347 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -59.1 | -20.7 | 178 | 74.5 | -176.5 | -73.5 | 175.9 | 1.3 | 114.2 | G668 T669 K674 Y815 | G668-R671 WeakPolarHBondContact O-CD 3.45Å; G668-R671 VanDerWaalsContact O-CG 3.29Å; G668-R671 WeakPolarHBondContact O-CG 3.48Å; T669-R671 VanDerWaalsContact C-N 3.26Å; T669-R671 PolarHBondContact O-N 2.73Å; R671-K674 WeakPolarHBondContact O-CE 3.41Å; R671-Y815 HydrophobicContact CB-CD2 4.13Å; R671-Y815 HydrophobicContact CB-CE2 3.88Å |
| 672 | W | 94.7 | Very high | 92.8 | Very high | 46 Ų | 46 | 46 Ų | 46 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -94.4 | -8 | -179.8 | -53.8 | 111.3 | 0 | 0 | 0 | 112.7 | V631 A634 A635 V639 T669 T670 | V631-W672 HydrophobicContact CB-CB 4.37Å; V631-W672 HydrophobicContact CG1-CB 4.39Å; A634-W672 HydrophobicContact CB-CH2 4.31Å; A634-W672 HydrophobicContact CB-CZ3 4.05Å; A634-W672 WeakPolarHBondContact O-CH2 3.4Å; A635-W672 HydrophobicContact CB-CB 4.35Å; A635-W672 HydrophobicContact CB-CD2 3.59Å; A635-W672 HydrophobicContact CB-CE3 3.74Å; A635-W672 HydrophobicContact CB-CG 3.87Å; A635-W672 HydrophobicContact CB-CZ3 4.27Å; V639-W672 HydrophobicContact CG1-CB 3.98Å; V639-W672 HydrophobicContact CG1-CG 4.04Å; T669-W672 PolarHBondContact O-N 3.06Å; T670-W672 PolarHBondContact O-N 3.07Å |
| 673 | E | 90.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -38.6 | -175.1 | -166.7 | 179.8 | 152.7 | 0 | 0 | 112.7 | K458 L647 T670 R675 S857 | K458-E673 IonicContact NZ-OE1 2.63Å; K458-E673 PolarHBondContact NZ-OE1 2.72Å; K458-E673 IonicContact NZ-OE2 3.39Å; K458-E673 PolarHBondContact NZ-OE2 2.77Å; L647-E673 HydrophobicContact CD1-CG 4.11Å; L647-E673 HydrophobicContact CD2-CG 4.05Å; T670-E673 WeakPolarHBondContact O-CB 3.45Å; T670-E673 PolarHBondContact O-N 2.86Å; E673-R675 HydrophobicContact CB-CG 4.32Å; E673-R675 VanDerWaalsContact CD-CG 3.45Å; E673-R675 HydrophobicContact CG-CG 3.65Å; E673-R675 PolarHBondContact O-N 3.31Å; E673-R675 VanDerWaalsContact OE1-CD 3.26Å; E673-R675 WeakPolarHBondContact OE1-CD 3.42Å; E673-R675 WeakPolarHBondContact OE1-CG 3.12Å; E673-R675 IonicContact OE1-NE 2.69Å; E673-S857 WeakPolarHBondContact OE2-CB 3.47Å; E673-S857 PolarHBondContact OE2-OG 3.34Å |
| 674 | K | 90.2 | Very high | 93 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 24% | 0.243 | 20% | 0.204 | C | C | . | . | trans | 43.5 | 58.4 | 175.5 | -60.2 | -55.9 | -170.8 | -177.9 | 0 | 112.8 | R671 N676 E743 D744 | R671-K674 WeakPolarHBondContact O-CE 3.41Å; K674-N676 PolarHBondContact O-N 2.78Å; K674-N676 VanDerWaalsContact O-N 3.12Å; K674-E743 CarbonylContact C-O 3.15Å; K674-E743 HydrophobicContact CB-CB 4Å; K674-E743 HydrophobicContact CD-CB 4.04Å; K674-D744 WeakPolarHBondContact CD-OD2 3.44Å; K674-D744 IonicContact NZ-OD2 2.68Å; K674-D744 PolarHBondContact NZ-OD2 3.34Å | ||
| 675 | R | 86.1 | Confident | 93 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 13% | 0.132 | 19% | 0.188 | C | C | . | . | trans | -57.9 | -31.5 | -165.6 | -68.5 | 171.2 | 63.4 | -164.2 | 4.8 | 114.5 | A460 G461 E673 I677 E743 | A460-R675 PolarHBondContact O-NH2 2.63Å; G461-R675 PolarHBondContact O-NH2 2.65Å; E673-R675 HydrophobicContact CB-CG 4.32Å; E673-R675 VanDerWaalsContact CD-CG 3.45Å; E673-R675 HydrophobicContact CG-CG 3.65Å; E673-R675 PolarHBondContact O-N 3.31Å; E673-R675 VanDerWaalsContact OE1-CD 3.26Å; E673-R675 WeakPolarHBondContact OE1-CD 3.42Å; E673-R675 WeakPolarHBondContact OE1-CG 3.12Å; E673-R675 IonicContact OE1-NE 2.69Å; R675-I677 HydrophobicContact CB-CG2 4.03Å; R675-I677 WeakPolarHBondContact O-CG2 3.24Å; R675-I677 PolarHBondContact O-N 3.49Å; R675-E743 PolarHBondContact N-O 3.33Å | ||
| 676 | N | 87.9 | Confident | 92.9 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | trans | 55.2 | 46 | 174 | -159 | 15.8 | 0 | 0 | 0 | 113.3 | K674 E743 R773 | K674-N676 PolarHBondContact O-N 2.78Å; K674-N676 VanDerWaalsContact O-N 3.12Å; N676-E743 WeakPolarHBondContact CA-O 3.47Å; N676-E743 HydrophobicContact CB-CB 4.41Å; N676-E743 HydrophobicContact CB-CG 4.41Å; N676-E743 PolarHBondContact N-O 3.45Å; N676-R773 PolarHBondContact ND2-NH1 2.96Å; N676-R773 WeakPolarHBondContact OD1-CD 3.18Å; N676-R773 PolarHBondContact OD1-NE 3.2Å; N676-R773 PolarHBondContact OD1-NH1 3.41Å | ||
| 677 | I | 85.4 | Confident | 92.9 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | trans | -98.2 | -12.1 | -171.1 | 58 | 168.4 | 0 | 0 | 0 | 114.9 | R675 T746 | R675-I677 HydrophobicContact CB-CG2 4.03Å; R675-I677 WeakPolarHBondContact O-CG2 3.24Å; R675-I677 PolarHBondContact O-N 3.49Å; I677-T746 HydrophobicContact CD1-CG2 4.34Å | ||
| 678 | A | 87.4 | Confident | 93 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | trans | -74.9 | 141.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E680 I681 C745 R773 | A678-E680 WeakPolarHBondContact CB-O 3.35Å; A678-I681 HydrophobicContact CB-CG2 4.18Å; A678-C745 WeakPolarHBondContact CB-O 3.25Å; A678-R773 WeakPolarHBondContact O-CD 3.44Å; A678-R773 PolarHBondContact O-NE 2.6Å | ||
| 679 | E | 85.4 | Confident | 93 | Very high | 123 Ų | 123 | 42.5 Ų | 42.5 | 58% | 0.575 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -78.9 | -38 | 168 | -66.2 | -169.5 | 170.4 | 0 | 0 | 111.1 | R773 | E679-R773 VanDerWaalsContact O-CB 3.22Å; E679-R773 WeakPolarHBondContact O-CB 3.39Å; E679-R773 PolarHBondContact O-N 2.74Å |
| 680 | E | 92.7 | Very high | 93 | Very high | 98 Ų | 98 | 45.7 Ų | 45.7 | 46% | 0.458 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148 | 177.9 | -62.7 | -175.2 | 130.3 | 0 | 0 | 111 | A678 M770 M771 | A678-E680 WeakPolarHBondContact CB-O 3.35Å; E680-M770 VanDerWaalsContact C-CE 3.4Å; E680-M770 HydrophobicContact CB-CB 4.14Å; E680-M770 HydrophobicContact CB-CE 3.69Å; E680-M770 WeakPolarHBondContact O-CE 3.44Å; E680-M771 CarbonylContact C-O 3.56Å; E680-M771 WeakPolarHBondContact CA-O 3.44Å; E680-M771 VanDerWaalsContact CB-O 3.3Å; E680-M771 WeakPolarHBondContact CB-O 3.47Å |
| 681 | I | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 151.3 | 176.8 | 58.5 | 173.7 | 0 | 0 | 0 | 110.6 | A678 I683 P742 C745 M771 R773 H776 E780 | A678-I681 HydrophobicContact CB-CG2 4.18Å; I681-I683 HydrophobicContact CD1-CD1 4.04Å; I681-I683 HydrophobicContact CG1-CD1 3.98Å; I681-I683 PolarHBondContact O-N 3.05Å; I681-P742 HydrophobicContact CD1-CB 3.7Å; I681-C745 HydrophobicContact CG2-CB 4.03Å; I681-M771 PolarHBondContact N-O 3.35Å; I681-M771 PolarHBondContact O-N 2.94Å; I681-R773 HydrophobicContact CD1-CG 4.49Å; I681-R773 HydrophobicContact CG1-CB 4.47Å; I681-R773 HydrophobicContact CG2-CB 4.16Å; I681-R773 HydrophobicContact CG2-CG 4.01Å; I681-H776 HydrophobicContact CD1-CB 4.11Å; I681-E780 HydrophobicContact CD1-CG 4.32Å |
| 682 | P | 97.6 | Very high | 93 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.032 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 118.8 | 179.9 | 31.3 | -37.1 | 0 | 0 | 0 | 111.6 | V740 C745 C751 V752 I768 N769 M770 | P682-V740 HydrophobicContact CG-CB 4.39Å; P682-V740 HydrophobicContact CG-CG2 3.77Å; P682-C745 VanDerWaalsContact CD-SG 3.59Å; P682-C751 VanDerWaalsContact CB-SG 3.58Å; P682-V752 HydrophobicContact CB-CG2 4.37Å; P682-I768 HydrophobicContact CB-CD1 3.65Å; P682-I768 HydrophobicContact CB-CG1 3.71Å; P682-I768 HydrophobicContact CG-CD1 4.43Å; P682-N769 CarbonylContact C-O 3.55Å; P682-N769 WeakPolarHBondContact CA-O 3.34Å; P682-M770 HydrophobicContact CB-SD 4.03Å |
| 683 | I | 97.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 9% | 0.092 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.9 | 177.1 | -55.5 | -57.7 | 0 | 0 | 0 | 110 | I681 I768 N769 M771 H776 E780 | I681-I683 HydrophobicContact CD1-CD1 4.04Å; I681-I683 HydrophobicContact CG1-CD1 3.98Å; I681-I683 PolarHBondContact O-N 3.05Å; I683-I768 WeakPolarHBondContact O-CA 3.39Å; I683-N769 PolarHBondContact N-O 2.87Å; I683-N769 PolarHBondContact O-N 3.32Å; I683-M771 HydrophobicContact CB-CG 4.24Å; I683-M771 HydrophobicContact CB-SD 3.85Å; I683-M771 HydrophobicContact CG1-CB 3.78Å; I683-M771 HydrophobicContact CG1-CG 4.01Å; I683-M771 HydrophobicContact CG1-SD 3.9Å; I683-M771 HydrophobicContact CG2-SD 4.11Å; I683-H776 HydrophobicContact CD1-CB 3.85Å; I683-E780 HydrophobicContact CD1-CG 3.97Å |
| 684 | W | 97.7 | Very high | 93.5 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 11% | 0.114 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 137.3 | -175.1 | -173.9 | 36.3 | 0 | 0 | 0 | 111.7 | E686 C689 H722 L724 Y736 L738 | W684-E686 HydrophobicContact CD2-CB 4.07Å; W684-E686 HydrophobicContact CE3-CB 4.23Å; W684-E686 HydrophobicContact CH2-CB 3.78Å; W684-E686 HydrophobicContact CZ2-CB 3.59Å; W684-E686 HydrophobicContact CZ3-CB 4.09Å; W684-C689 HydrophobicContact CZ2-CB 4.13Å; W684-H722 HydrophobicContact CE3-CB 4.01Å; W684-H722 HydrophobicContact CZ3-CB 3.83Å; W684-H722 WeakPolarHBondContact CZ3-O 3.41Å; W684-L724 HydrophobicContact CH2-CD1 4.1Å; W684-L724 HydrophobicContact CH2-CG 3.87Å; W684-L724 HydrophobicContact CZ2-CD1 3.59Å; W684-L724 HydrophobicContact CZ2-CG 3.89Å; W684-Y736 HydrophobicContact CH2-CD1 4.17Å; W684-Y736 HydrophobicContact CH2-CE1 4.38Å; W684-Y736 HydrophobicContact CZ2-CD1 4.13Å; W684-Y736 HydrophobicContact CZ2-CE1 4.02Å; W684-L738 HydrophobicContact CD2-CB 4Å; W684-L738 HydrophobicContact CD2-CD2 4.37Å; W684-L738 HydrophobicContact CE3-CB 4.2Å; W684-L738 HydrophobicContact CG-CB 4.42Å; W684-L738 HydrophobicContact CG-CD2 4.03Å; W684-L738 HydrophobicContact CZ2-CB 4.3Å; W684-L738 HydrophobicContact CZ3-CB 4.44Å |
| 685 | K | 95.9 | Very high | 93.9 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 24% | 0.235 | 20% | 0.203 | C | C | . | . | trans | -115.5 | 94.8 | 167.6 | -67.3 | -166.8 | 178.5 | -169.7 | 0 | 108.8 | E687 L688 I765 A767 | K685-E687 VanDerWaalsContact C-N 3.33Å; K685-E687 PolarHBondContact O-N 2.84Å; K685-L688 PolarHBondContact O-N 2.94Å; K685-I765 HydrophobicContact CD-CG2 3.74Å; K685-I765 VanDerWaalsContact NZ-CG2 3.28Å; K685-A767 PolarHBondContact N-O 3.36Å | ||
| 686 | E | 94.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -62.8 | -36 | -166.1 | 66.9 | -86 | -158.6 | 0 | 0 | 113.3 | W684 L688 C689 H722 L724 | W684-E686 HydrophobicContact CD2-CB 4.07Å; W684-E686 HydrophobicContact CE3-CB 4.23Å; W684-E686 HydrophobicContact CH2-CB 3.78Å; W684-E686 HydrophobicContact CZ2-CB 3.59Å; W684-E686 HydrophobicContact CZ3-CB 4.09Å; E686-L688 PolarHBondContact O-N 2.74Å; E686-L688 VanDerWaalsContact O-N 3.13Å; E686-C689 WeakPolarHBondContact O-CB 3.29Å; E686-C689 PolarHBondContact O-N 2.79Å; E686-H722 VanDerWaalsContact CD-ND1 3.35Å; E686-H722 HydrophobicContact CG-CB 4.42Å; E686-H722 IonicContact OE1-CE1 3.7Å; E686-H722 PolarHBondContact OE1-CE1 3.13Å; E686-H722 IonicContact OE1-CG 3.42Å; E686-H722 IonicContact OE1-ND1 2.6Å; E686-H722 PolarHBondContact OE1-ND1 3.04Å; E686-H722 IonicContact OE2-CG 2.98Å; E686-H722 IonicContact OE2-ND1 3.79Å; E686-L724 HydrophobicContact CB-CD1 4.27Å; E686-L724 HydrophobicContact CB-CD2 3.87Å; E686-L724 HydrophobicContact CB-CG 4.02Å; E686-L724 HydrophobicContact CG-CD2 4.1Å; E686-L724 VanDerWaalsContact O-CD1 3.3Å; E686-L724 WeakPolarHBondContact O-CD1 3.06Å |
| 687 | E | 93.4 | Very high | 94.9 | Very high | 131 Ų | 131 | 37.8 Ų | 37.8 | 61% | 0.612 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -62.1 | -26.1 | -175.9 | 64.7 | -80 | -176.8 | 0 | 0 | 113.3 | K685 | K685-E687 VanDerWaalsContact C-N 3.33Å; K685-E687 PolarHBondContact O-N 2.84Å |
| 688 | L | 96 | Very high | 95.5 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -89.6 | -17 | 177.9 | -60.4 | 178.8 | 0 | 0 | 0 | 112.6 | K685 E686 A757 D759 I765 A767 | K685-L688 PolarHBondContact O-N 2.94Å; E686-L688 PolarHBondContact O-N 2.74Å; E686-L688 VanDerWaalsContact O-N 3.13Å; L688-A757 VanDerWaalsContact O-CB 3.26Å; L688-A757 WeakPolarHBondContact O-CB 3.39Å; L688-D759 HydrophobicContact CD1-CB 4Å; L688-D759 HydrophobicContact CD2-CB 4.29Å; L688-I765 HydrophobicContact CD1-CG2 4.12Å; L688-A767 HydrophobicContact CB-CB 3.7Å |
| 689 | C | 96.7 | Very high | 96 | Very high | 10 Ų | 10 | 36 Ų | 36 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | trans | -71.2 | 133.9 | -165.3 | -172 | 0 | 0 | 0 | 0 | 113.6 | W684 E686 Q691 L724 K727 A767 | W684-C689 HydrophobicContact CZ2-CB 4.13Å; E686-C689 WeakPolarHBondContact O-CB 3.29Å; E686-C689 PolarHBondContact O-N 2.79Å; C689-Q691 PolarHBondContact SG-N 3.23Å; C689-L724 HydrophobicContact CB-CD1 3.95Å; C689-K727 PolarHBondContact O-NZ 3.4Å; C689-A767 HydrophobicContact CB-CB 4.12Å | ||
| 690 | T | 95.6 | Very high | 96.5 | Very high | 72 Ų | 72 | 30.2 Ų | 30.2 | 44% | 0.442 | 15% | 0.153 | S | C | . | . | trans | -96 | -1.1 | 179 | 55 | 0 | 0 | 0 | 0 | 113.9 | C692 A757 | T690-C692 VanDerWaalsContact C-N 3.26Å; T690-C692 PolarHBondContact O-N 3.35Å; T690-A757 HydrophobicContact CG2-CB 4.03Å | ||
| 691 | Q | 96.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | trans | 58.5 | 35.7 | -179.6 | -53.5 | 169.5 | 0.6 | 0 | 0 | 112.8 | C689 D725 Y736 | C689-Q691 PolarHBondContact SG-N 3.23Å; Q691-D725 PolarHBondContact NE2-O 2.9Å; Q691-Y736 HydrophobicContact CB-CD2 4.19Å; Q691-Y736 HydrophobicContact CB-CE2 4.16Å; Q691-Y736 HydrophobicContact CB-CG 4.41Å; Q691-Y736 HydrophobicContact CG-CD1 3.85Å; Q691-Y736 HydrophobicContact CG-CD2 4.13Å; Q691-Y736 HydrophobicContact CG-CE1 4.13Å; Q691-Y736 HydrophobicContact CG-CE2 4.39Å; Q691-Y736 HydrophobicContact CG-CG 3.85Å | ||
| 692 | C | 95.2 | Very high | 96.8 | Very high | 29 Ų | 29 | 25.7 Ų | 25.7 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | trans | -85.4 | -16.4 | -177.7 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | T690 H694 | T690-C692 VanDerWaalsContact C-N 3.26Å; T690-C692 PolarHBondContact O-N 3.35Å; C692-H694 PolarHBondContact O-CD2 3.33Å; C692-H694 PolarHBondContact O-N 3.27Å | ||
| 693 | N | 96.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | trans | 58.8 | 18.4 | -177 | -65.5 | -19 | 0 | 0 | 0 | 116.5 | C695 V696 A697 A706 Y736 R804 Q807 L808 | N693-C695 VanDerWaalsContact C-N 3.3Å; N693-C695 PolarHBondContact O-N 3.05Å; N693-V696 HydrophobicContact CB-CB 4.39Å; N693-V696 PolarHBondContact O-N 2.65Å; N693-A697 WeakPolarHBondContact O-CB 3.48Å; N693-A697 PolarHBondContact O-N 3.36Å; N693-A706 WeakPolarHBondContact OD1-CB 3.19Å; N693-Y736 WeakPolarHBondContact OD1-CE2 3.3Å; N693-Y736 PolarHBondContact OD1-OH 3.06Å; N693-R804 PolarHBondContact ND2-O 3.24Å; N693-Q807 HydrophobicContact CB-CB 3.54Å; N693-Q807 HydrophobicContact CB-CG 3.78Å; N693-L808 WeakPolarHBondContact ND2-CD2 3.32Å | ||
| 694 | H | 97.4 | Very high | 96.8 | Very high | 58 Ų | 58 | 25 Ų | 25 | 27% | 0.269 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.6 | -38.5 | 174.7 | -69.9 | -171 | 0 | 0 | 0 | 112.3 | C692 V696 A697 A698 V754 | C692-H694 PolarHBondContact O-CD2 3.33Å; C692-H694 PolarHBondContact O-N 3.27Å; H694-V696 VanDerWaalsContact C-N 3.34Å; H694-V696 PolarHBondContact O-N 2.88Å; H694-A697 PolarHBondContact O-N 3.2Å; H694-A698 WeakPolarHBondContact O-CB 3.42Å; H694-A698 PolarHBondContact O-N 2.89Å; H694-V754 HydrophobicContact CB-CG2 4.19Å |
| 695 | C | 97.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 24.4 Ų | 24.4 | 8% | 0.081 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 175.1 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | N693 C699 I704 C751 | N693-C695 VanDerWaalsContact C-N 3.3Å; N693-C695 PolarHBondContact O-N 3.05Å; C695-C699 PolarHBondContact O-N 3.24Å; C695-I704 HydrophobicContact CB-CD1 4.32Å; C695-C751 HydrophobicContact CB-CB 3.85Å |
| 696 | V | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.03 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.9 | -39 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | N693 H694 A706 L738 Q807 K829 | N693-V696 HydrophobicContact CB-CB 4.39Å; N693-V696 PolarHBondContact O-N 2.65Å; H694-V696 VanDerWaalsContact C-N 3.34Å; H694-V696 PolarHBondContact O-N 2.88Å; V696-A706 HydrophobicContact CG2-CB 4.01Å; V696-L738 HydrophobicContact CG2-CD1 3.61Å; V696-Q807 HydrophobicContact CB-CB 4.06Å; V696-Q807 HydrophobicContact CB-CG 4.03Å; V696-Q807 HydrophobicContact CG1-CB 3.78Å; V696-Q807 HydrophobicContact CG1-CG 3.98Å; V696-K829 WeakPolarHBondContact O-CE 3.25Å; V696-K829 PolarHBondContact O-NZ 3.18Å |
| 697 | A | 97.6 | Very high | 97 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N693 H694 I803 Q807 | N693-A697 WeakPolarHBondContact O-CB 3.48Å; N693-A697 PolarHBondContact O-N 3.36Å; H694-A697 PolarHBondContact O-N 3.2Å; A697-I803 HydrophobicContact CB-CD1 3.82Å; A697-I803 HydrophobicContact CB-CG1 3.87Å; A697-Q807 HydrophobicContact CB-CG 3.88Å |
| 698 | A | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -77.6 | -20 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H694 P700 L750 V754 | H694-A698 WeakPolarHBondContact O-CB 3.42Å; H694-A698 PolarHBondContact O-N 2.89Å; A698-P700 VanDerWaalsContact O-CD 3.25Å; A698-P700 WeakPolarHBondContact O-CD 3.43Å; A698-L750 HydrophobicContact CB-CD2 4.16Å; A698-L750 HydrophobicContact CB-CG 4Å; A698-L750 VanDerWaalsContact O-CD2 3.29Å; A698-L750 WeakPolarHBondContact O-CD2 3.17Å; A698-V754 HydrophobicContact CB-CB 4.42Å; A698-V754 HydrophobicContact CB-CG1 3.93Å; A698-V754 HydrophobicContact CB-CG2 3.81Å |
| 699 | C | 98.2 | Very high | 97.2 | Very high | 11 Ų | 11 | 12.9 Ų | 12.9 | 7% | 0.074 | 7% | 0.073 | C | C | . | . | trans | -63.7 | 118.8 | -177 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | C695 H701 A703 I704 K829 | C695-C699 PolarHBondContact O-N 3.24Å; C699-H701 VanDerWaalsContact C-N 3.32Å; C699-H701 PolarHBondContact O-N 2.99Å; C699-A703 PolarHBondContact SG-N 3.47Å; C699-I704 HydrophobicContact CB-CG2 3.59Å; C699-K829 WeakPolarHBondContact O-CE 3.09Å | ||
| 700 | P | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -19.8 | -179 | 20.4 | -19.9 | 0 | 0 | 0 | 113.8 | A698 C822 T825 P826 | A698-P700 VanDerWaalsContact O-CD 3.25Å; A698-P700 WeakPolarHBondContact O-CD 3.43Å; P700-C822 HydrophobicContact CB-CB 4.38Å; P700-C822 WeakPolarHBondContact CB-O 3.38Å; P700-T825 VanDerWaalsContact CA-OG1 3.29Å; P700-T825 WeakPolarHBondContact CA-OG1 3.4Å; P700-T825 WeakPolarHBondContact CB-OG1 3.33Å; P700-T825 VanDerWaalsContact O-CB 3.25Å; P700-T825 WeakPolarHBondContact O-CB 3.25Å; P700-T825 PolarHBondContact O-OG1 2.74Å; P700-P826 HydrophobicContact CB-CG 4.34Å |
| 701 | H | 97.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 5.5 | -173.7 | -61.3 | 81.5 | 0 | 0 | 0 | 113.8 | C699 A703 Y815 S816 A818 C819 | C699-H701 VanDerWaalsContact C-N 3.32Å; C699-H701 PolarHBondContact O-N 2.99Å; H701-A703 HydrophobicContact CB-CB 4.25Å; H701-A703 PolarHBondContact O-N 3.24Å; H701-A703 VanDerWaalsContact O-N 3.13Å; H701-Y815 WeakPolarHBondContact O-CD1 3.41Å; H701-Y815 PolarHBondContact O-N 3.31Å; H701-S816 PolarHBondContact CD2-O 3.08Å; H701-S816 VanDerWaalsContact CD2-O 3.24Å; H701-A818 PolarHBondContact NE2-O 3.17Å; H701-C819 PolarHBondContact CE1-O 3.46Å; H701-C819 VanDerWaalsContact CE1-O 3.28Å |
| 702 | S | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | S | Bend | trans | 54.4 | 27.1 | -170.9 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | I704 R705 F813 K829 | S702-I704 VanDerWaalsContact C-N 3.31Å; S702-R705 PolarHBondContact O-NE 2.76Å; S702-R705 PolarHBondContact O-NH2 3.22Å; S702-F813 PolarHBondContact OG-O 2.75Å; S702-K829 WeakPolarHBondContact OG-CD 3.36Å; S702-K829 WeakPolarHBondContact OG-CG 3.42Å |
| 703 | A | 97.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 3% | 0.033 | 11% | 0.105 | C | C | . | . | trans | -84.8 | -3.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C699 H701 V740 A741 C745 | C699-A703 PolarHBondContact SG-N 3.47Å; H701-A703 HydrophobicContact CB-CB 4.25Å; H701-A703 PolarHBondContact O-N 3.24Å; H701-A703 VanDerWaalsContact O-N 3.13Å; A703-V740 CarbonylContact O-C 3.49Å; A703-V740 WeakPolarHBondContact O-CA 3.19Å; A703-V740 WeakPolarHBondContact O-CG2 3.17Å; A703-A741 HydrophobicContact CB-CB 4.47Å; A703-A741 PolarHBondContact O-N 3.45Å; A703-C745 HydrophobicContact CB-CB 4.2Å | ||
| 704 | I | 98.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.8 | 164.7 | -176.9 | 168.6 | 0 | 0 | 0 | 108.8 | C695 C699 S702 L738 Q739 C751 I768 | C695-I704 HydrophobicContact CB-CD1 4.32Å; C699-I704 HydrophobicContact CB-CG2 3.59Å; S702-I704 VanDerWaalsContact C-N 3.31Å; I704-L738 HydrophobicContact CD1-CD1 3.89Å; I704-L738 HydrophobicContact CD1-CD2 4.16Å; I704-L738 HydrophobicContact CD1-CG 4.05Å; I704-L738 HydrophobicContact CG1-CD1 3.72Å; I704-L738 HydrophobicContact CG1-CG 4.21Å; I704-Q739 WeakPolarHBondContact CA-O 3.41Å; I704-C751 HydrophobicContact CG2-CB 4.29Å; I704-I768 HydrophobicContact CD1-CD1 3.06Å |
| 705 | R | 98.2 | Very high | 97 | Very high | 17 Ų | 17 | 24 Ų | 24 | 6% | 0.064 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.6 | -172 | -60.5 | -177.7 | -168.3 | -158.4 | -9.3 | 110.8 | S702 L738 Q739 Y784 F787 E814 Y815 | S702-R705 PolarHBondContact O-NE 2.76Å; S702-R705 PolarHBondContact O-NH2 3.22Å; R705-L738 WeakPolarHBondContact O-CA 3.42Å; R705-Q739 PolarHBondContact N-O 3.27Å; R705-Q739 PolarHBondContact O-N 2.89Å; R705-Y784 PolarHBondContact NE-OH 3.09Å; R705-F787 HydrophobicContact CB-CE1 3.6Å; R705-F787 HydrophobicContact CB-CZ 3.49Å; R705-F787 VanDerWaalsContact CB-CZ 3.49Å; R705-F787 HydrophobicContact CG-CE1 4.44Å; R705-E814 IonicContact CZ-OE2 2.93Å; R705-E814 IonicContact NH1-OE2 3.07Å; R705-E814 PolarHBondContact NH1-OE2 3.22Å; R705-E814 IonicContact NH2-OE2 3.82Å; R705-E814 PolarHBondContact NH2-OE2 2.89Å; R705-Y815 PolarHBondContact NH2-OH 2.86Å |
| 706 | A | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 143.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | N693 V696 Y736 V737 L738 L808 | N693-A706 WeakPolarHBondContact OD1-CB 3.19Å; V696-A706 HydrophobicContact CG2-CB 4.01Å; A706-Y736 HydrophobicContact CB-CE2 3.77Å; A706-V737 CarbonylContact C-O 3.59Å; A706-V737 WeakPolarHBondContact CA-O 3.38Å; A706-L738 HydrophobicContact CB-CD1 4.12Å; A706-L808 HydrophobicContact CB-CD2 4.04Å |
| 707 | K | 97.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.2 | 170.3 | -77.6 | -179.6 | 176.7 | -172.6 | 0 | 110 | V709 V737 F787 L788 L790 E792 | K707-V709 HydrophobicContact CB-CG1 4.02Å; K707-V737 PolarHBondContact N-O 3.32Å; K707-V737 PolarHBondContact O-N 3.32Å; K707-F787 HydrophobicContact CB-CE2 3.86Å; K707-F787 HydrophobicContact CB-CZ 4.22Å; K707-F787 HydrophobicContact CD-CD2 4.4Å; K707-F787 HydrophobicContact CD-CE1 4.25Å; K707-F787 HydrophobicContact CD-CE2 3.92Å; K707-F787 HydrophobicContact CD-CZ 3.82Å; K707-F787 HydrophobicContact CG-CE1 4.42Å; K707-F787 HydrophobicContact CG-CE2 3.72Å; K707-F787 HydrophobicContact CG-CZ 3.59Å; K707-F787 PolarHBondContact NZ-O 2.91Å; K707-L788 PolarHBondContact NZ-O 3.08Å; K707-L790 HydrophobicContact CD-CB 3.76Å; K707-L790 PolarHBondContact NZ-O 3.47Å; K707-E792 WeakPolarHBondContact CE-OE1 3.4Å; K707-E792 WeakPolarHBondContact CE-OE2 3.34Å; K707-E792 IonicContact NZ-OE1 3.19Å; K707-E792 PolarHBondContact NZ-OE1 3.36Å; K707-E792 IonicContact NZ-OE2 2.74Å |
| 708 | V | 96.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.2 | 166.2 | 169.9 | 0 | 0 | 0 | 0 | 107.6 | V726 M731 Q734 K735 Y736 L808 | V708-V726 HydrophobicContact CG1-CG2 3.86Å; V708-V726 HydrophobicContact CG2-CG2 3.96Å; V708-M731 HydrophobicContact CB-SD 4.38Å; V708-M731 HydrophobicContact CG1-CB 4.43Å; V708-M731 HydrophobicContact CG1-SD 4.04Å; V708-M731 HydrophobicContact CG2-SD 4.37Å; V708-Q734 HydrophobicContact CG1-CB 3.48Å; V708-Q734 VanDerWaalsContact CG1-CB 3.48Å; V708-Q734 HydrophobicContact CG1-CG 3.99Å; V708-K735 CarbonylContact C-O 3.49Å; V708-K735 VanDerWaalsContact CA-O 3.28Å; V708-K735 WeakPolarHBondContact CA-O 3.22Å; V708-Y736 HydrophobicContact CG2-CD2 4.19Å; V708-L808 HydrophobicContact CB-CD1 4.34Å; V708-L808 HydrophobicContact CG2-CD1 3.72Å; V708-L808 HydrophobicContact CG2-CD2 3.88Å; V708-L808 HydrophobicContact CG2-CG 4.44Å |
| 709 | V | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 154.2 | -169.5 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | K707 A713 M714 Q734 K735 V737 L790 P791 | K707-V709 HydrophobicContact CB-CG1 4.02Å; V709-A713 HydrophobicContact CB-CB 4.21Å; V709-A713 HydrophobicContact CG2-CB 4.42Å; V709-M714 HydrophobicContact CG2-CG 3.93Å; V709-M714 HydrophobicContact CG2-SD 3.97Å; V709-Q734 PolarHBondContact O-OE1 3.32Å; V709-K735 HydrophobicContact CG2-CB 4.05Å; V709-K735 PolarHBondContact N-O 2.91Å; V709-K735 PolarHBondContact O-N 3.17Å; V709-V737 HydrophobicContact CG2-CG2 4.27Å; V709-L790 HydrophobicContact CG1-CB 4.02Å; V709-L790 HydrophobicContact CG1-CD1 4.29Å; V709-L790 HydrophobicContact CG1-CD2 4.33Å; V709-L790 HydrophobicContact CG1-CG 4.46Å; V709-L790 HydrophobicContact CG2-CD2 4.47Å; V709-P791 HydrophobicContact CB-CG 4.32Å; V709-P791 HydrophobicContact CG1-CG 4.11Å |
| 710 | P | 95.9 | Very high | 96.3 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | trans | -64.7 | 145.5 | 172.4 | 28 | -35.6 | 0 | 0 | 0 | 110.5 | E712 A713 P791 | P710-E712 WeakPolarHBondContact CB-OE2 3.25Å; P710-E712 PolarHBondContact O-N 3.23Å; P710-E712 VanDerWaalsContact O-N 3.12Å; P710-A713 HydrophobicContact CG-CB 4.16Å; P710-A713 WeakPolarHBondContact O-CB 3.48Å; P710-A713 PolarHBondContact O-N 3.21Å; P710-P791 HydrophobicContact CG-CG 4.46Å | ||
| 711 | P | 96 | Very high | 96.3 | Very high | 49 Ų | 49 | 39 Ų | 39 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -53.1 | -33.8 | -178.3 | -27.4 | 35.4 | 0 | 0 | 0 | 114.3 | A713 M714 G733 K735 | P711-A713 PolarHBondContact O-N 2.92Å; P711-M714 WeakPolarHBondContact O-CB 3.37Å; P711-M714 PolarHBondContact O-N 3.13Å; P711-G733 WeakPolarHBondContact CD-O 3.37Å; P711-G733 VanDerWaalsContact CG-O 3.22Å; P711-G733 WeakPolarHBondContact CG-O 3.29Å; P711-K735 HydrophobicContact CB-CG 4.33Å; P711-K735 HydrophobicContact CG-CG 4.35Å |
| 712 | E | 96.5 | Very high | 96.2 | Very high | 122 Ų | 122 | 42.9 Ų | 42.9 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -62.3 | -30.4 | 179.6 | -58.4 | 78.9 | -173.7 | 0 | 0 | 111.9 | P710 M714 E715 | P710-E712 WeakPolarHBondContact CB-OE2 3.25Å; P710-E712 PolarHBondContact O-N 3.23Å; P710-E712 VanDerWaalsContact O-N 3.12Å; E712-M714 PolarHBondContact O-N 3.07Å; E712-E715 PolarHBondContact O-N 2.77Å |
| 713 | A | 95.7 | Very high | 96.2 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -68.5 | -15.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | V709 P710 P711 L790 P791 | V709-A713 HydrophobicContact CB-CB 4.21Å; V709-A713 HydrophobicContact CG2-CB 4.42Å; P710-A713 HydrophobicContact CG-CB 4.16Å; P710-A713 WeakPolarHBondContact O-CB 3.48Å; P710-A713 PolarHBondContact O-N 3.21Å; P711-A713 PolarHBondContact O-N 2.92Å; A713-L790 HydrophobicContact CB-CD2 3.97Å; A713-P791 HydrophobicContact CB-CG 4.15Å |
| 714 | M | 96 | Very high | 96.1 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -97.6 | -2.7 | 179.8 | -62.7 | -59.6 | -61.3 | 0 | 0 | 113.6 | V709 P711 E712 N716 A717 L721 K735 V737 L790 | V709-M714 HydrophobicContact CG2-CG 3.93Å; V709-M714 HydrophobicContact CG2-SD 3.97Å; P711-M714 WeakPolarHBondContact O-CB 3.37Å; P711-M714 PolarHBondContact O-N 3.13Å; E712-M714 PolarHBondContact O-N 3.07Å; M714-N716 VanDerWaalsContact C-N 3.28Å; M714-N716 PolarHBondContact O-N 3.11Å; M714-A717 HydrophobicContact CE-CB 3.72Å; M714-A717 VanDerWaalsContact O-CB 3.25Å; M714-A717 WeakPolarHBondContact O-CB 3.22Å; M714-A717 PolarHBondContact O-N 3.15Å; M714-A717 VanDerWaalsContact O-N 3.15Å; M714-L721 HydrophobicContact CE-CD2 3.96Å; M714-L721 HydrophobicContact CE-CG 4.16Å; M714-K735 HydrophobicContact CG-CB 4.22Å; M714-K735 HydrophobicContact CG-CG 4.27Å; M714-V737 HydrophobicContact CE-CG2 3.96Å; M714-V737 HydrophobicContact SD-CG2 3.7Å; M714-L790 HydrophobicContact SD-CD1 4.14Å; M714-L790 HydrophobicContact SD-CD2 3.96Å |
| 715 | E | 93.7 | Very high | 96.1 | Very high | 151 Ų | 151 | 50.9 Ų | 50.9 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -34.4 | -175.4 | -72.9 | -179.3 | 175.6 | 0 | 0 | 113.5 | E712 | E712-E715 PolarHBondContact O-N 2.77Š|
| 716 | N | 93.6 | Very high | 95.9 | Very high | 142 Ų | 142 | 50.7 Ų | 50.7 | 76% | 0.759 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 15.3 | 179.8 | -61.5 | -53.5 | 0 | 0 | 0 | 113 | M714 F786 | M714-N716 VanDerWaalsContact C-N 3.28Å; M714-N716 PolarHBondContact O-N 3.11Å; N716-F786 HydrophobicContact CB-CE2 4.37Å; N716-F786 WeakPolarHBondContact O-CE2 3.47Å |
| 717 | A | 95.7 | Very high | 95.5 | Very high | 25 Ų | 25 | 57.1 Ų | 57.1 | 21% | 0.207 | 32% | 0.322 | C | S | . | . | trans | -65.4 | 144.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M714 L721 F786 | M714-A717 HydrophobicContact CE-CB 3.72Å; M714-A717 VanDerWaalsContact O-CB 3.25Å; M714-A717 WeakPolarHBondContact O-CB 3.22Å; M714-A717 PolarHBondContact O-N 3.15Å; M714-A717 VanDerWaalsContact O-N 3.15Å; A717-L721 HydrophobicContact CB-CB 4.45Å; A717-L721 HydrophobicContact CB-CD2 4.14Å; A717-F786 VanDerWaalsContact CA-CZ 3.43Å; A717-F786 HydrophobicContact CB-CD1 4.26Å; A717-F786 HydrophobicContact CB-CE1 3.67Å; A717-F786 HydrophobicContact CB-CZ 3.92Å | ||
| 718 | P | 95.9 | Very high | 95 | Very high | 31 Ų | 31 | 57.8 Ų | 57.8 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | trans | -52.7 | 145.2 | 167.6 | -23.4 | 32.7 | 0 | 0 | 0 | 110.9 | S720 L721 I782 F786 | P718-S720 PolarHBondContact O-N 2.88Å; P718-S720 VanDerWaalsContact O-N 3.13Å; P718-L721 HydrophobicContact CB-CB 4.39Å; P718-L721 WeakPolarHBondContact O-CB 3.41Å; P718-L721 PolarHBondContact O-N 3.28Å; P718-I782 HydrophobicContact CB-CG2 4.27Å; P718-I782 HydrophobicContact CG-CG2 3.85Å; P718-F786 HydrophobicContact CG-CB 4.19Å; P718-F786 HydrophobicContact CG-CG 4.4Å | ||
| 719 | A | 94.4 | Very high | 94.6 | Very high | 111 Ų | 111 | 68 Ų | 68 | 92% | 0.917 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 720 | S | 95.5 | Very high | 94.1 | Very high | 26 Ų | 26 | 70.8 Ų | 70.8 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -10.7 | 174.7 | 49.1 | 0 | 0 | 0 | 0 | 114 | P718 H722 E779 N783 | P718-S720 PolarHBondContact O-N 2.88Å; P718-S720 VanDerWaalsContact O-N 3.13Å; S720-H722 PolarHBondContact O-CD2 2.69Å; S720-H722 PolarHBondContact O-N 3.09Å; S720-E779 VanDerWaalsContact CB-CD 3.49Å; S720-N783 PolarHBondContact O-ND2 2.81Å; S720-N783 PolarHBondContact OG-OD1 3.02Å |
| 721 | L | 96.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 69.7 Ų | 69.7 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | trans | -89.8 | 99.4 | 178.7 | -177.4 | 65.4 | 0 | 0 | 0 | 110.2 | M714 A717 P718 V737 Q739 N783 F786 | M714-L721 HydrophobicContact CE-CD2 3.96Å; M714-L721 HydrophobicContact CE-CG 4.16Å; A717-L721 HydrophobicContact CB-CB 4.45Å; A717-L721 HydrophobicContact CB-CD2 4.14Å; P718-L721 HydrophobicContact CB-CB 4.39Å; P718-L721 WeakPolarHBondContact O-CB 3.41Å; P718-L721 PolarHBondContact O-N 3.28Å; L721-V737 HydrophobicContact CD1-CG1 3.94Å; L721-V737 HydrophobicContact CG-CG1 4.4Å; L721-Q739 VanDerWaalsContact CD1-OE1 3.25Å; L721-N783 HydrophobicContact CD1-CB 4.02Å; L721-N783 PolarHBondContact N-OD1 3.49Å; L721-F786 HydrophobicContact CD2-CB 4.32Å; L721-F786 HydrophobicContact CD2-CD1 3.35Å; L721-F786 HydrophobicContact CD2-CE1 4.02Å; L721-F786 HydrophobicContact CD2-CG 4.17Å | ||
| 722 | H | 95.7 | Very high | 93.6 | Very high | 84 Ų | 84 | 77.7 Ų | 77.7 | 39% | 0.389 | 39% | 0.394 | S | S | . | . | trans | -72.5 | 155.2 | -179 | -62.4 | -93.9 | 0 | 0 | 0 | 112.3 | W684 E686 S720 | W684-H722 HydrophobicContact CE3-CB 4.01Å; W684-H722 HydrophobicContact CZ3-CB 3.83Å; W684-H722 WeakPolarHBondContact CZ3-O 3.41Å; E686-H722 VanDerWaalsContact CD-ND1 3.35Å; E686-H722 HydrophobicContact CG-CB 4.42Å; E686-H722 IonicContact OE1-CE1 3.7Å; E686-H722 PolarHBondContact OE1-CE1 3.13Å; E686-H722 IonicContact OE1-CG 3.42Å; E686-H722 IonicContact OE1-ND1 2.6Å; E686-H722 PolarHBondContact OE1-ND1 3.04Å; E686-H722 IonicContact OE2-CG 2.98Å; E686-H722 IonicContact OE2-ND1 3.79Å; S720-H722 PolarHBondContact O-CD2 2.69Å; S720-H722 PolarHBondContact O-N 3.09Å | ||
| 723 | S | 96.9 | Very high | 93.4 | Very high | 40 Ų | 40 | 74.1 Ų | 74.1 | 28% | 0.28 | 39% | 0.391 | S | S | . | . | trans | -150.7 | 157 | 170.8 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | Y736 | S723-Y736 WeakPolarHBondContact CA-O 3.44Š| ||
| 724 | L | 96.9 | Very high | 93.4 | Very high | 34 Ų | 34 | 75.9 Ų | 75.9 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 154.2 | 176.4 | -66.4 | 174.9 | 0 | 0 | 0 | 111.2 | W684 E686 C689 K735 Y736 | W684-L724 HydrophobicContact CH2-CD1 4.1Å; W684-L724 HydrophobicContact CH2-CG 3.87Å; W684-L724 HydrophobicContact CZ2-CD1 3.59Å; W684-L724 HydrophobicContact CZ2-CG 3.89Å; E686-L724 HydrophobicContact CB-CD1 4.27Å; E686-L724 HydrophobicContact CB-CD2 3.87Å; E686-L724 HydrophobicContact CB-CG 4.02Å; E686-L724 HydrophobicContact CG-CD2 4.1Å; E686-L724 VanDerWaalsContact O-CD1 3.3Å; E686-L724 WeakPolarHBondContact O-CD1 3.06Å; C689-L724 HydrophobicContact CB-CD1 3.95Å; L724-K735 CarbonylContact O-C 3.51Å; L724-K735 WeakPolarHBondContact O-CA 3.47Å; L724-Y736 PolarHBondContact N-O 3.49Å; L724-Y736 PolarHBondContact O-N 2.94Å |
| 725 | D | 96.9 | Very high | 93.5 | Very high | 103 Ų | 103 | 77.3 Ų | 77.3 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 135.6 | 165.1 | -66.5 | -35.4 | 0 | 0 | 0 | 110.4 | Q691 K727 K735 | Q691-D725 PolarHBondContact NE2-O 2.9Å; D725-K727 PolarHBondContact O-N 2.69Å; D725-K735 WeakPolarHBondContact OD1-CE 3.44Å; D725-K735 IonicContact OD1-NZ 2.95Å; D725-K735 PolarHBondContact OD1-NZ 3.45Å |
| 726 | V | 94.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 70.3 Ų | 70.3 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | trans | -64.8 | 125.6 | 177 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | V708 M731 Q734 | V708-V726 HydrophobicContact CG1-CG2 3.86Å; V708-V726 HydrophobicContact CG2-CG2 3.96Å; V726-M731 WeakPolarHBondContact CB-O 3.43Å; V726-M731 HydrophobicContact CG1-CB 3.79Å; V726-Q734 HydrophobicContact CB-CB 4.5Å; V726-Q734 HydrophobicContact CG2-CB 3.94Å; V726-Q734 WeakPolarHBondContact CG2-O 3.22Å; V726-Q734 PolarHBondContact N-O 3.19Å | ||
| 727 | K | 89.1 | Confident | 93.9 | Very high | 139 Ų | 139 | 63.6 Ų | 63.6 | 60% | 0.604 | 33% | 0.331 | S | S | * | . | trans | -79.4 | -24 | -177 | -68.9 | 175.9 | 179.7 | 172.4 | 0 | 113.3 | C689 D725 | C689-K727 PolarHBondContact O-NZ 3.4Å; D725-K727 PolarHBondContact O-N 2.69Å | ||
| 728 | S | 87.4 | Confident | 94 | Very high | 23 Ų | 23 | 62.6 Ų | 62.6 | 16% | 0.161 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -83.1 | 148.9 | -173.9 | 69 | 0 | 0 | 0 | 0 | 113 | D730 M731 R732 R804 | S728-D730 WeakPolarHBondContact CB-OD1 3.38Å; S728-D730 PolarHBondContact O-N 3.19Å; S728-D730 PolarHBondContact OG-OD1 3.01Å; S728-M731 PolarHBondContact O-N 2.87Å; S728-R732 PolarHBondContact O-N 3.21Å; S728-R804 PolarHBondContact OG-NH1 3.4Å |
| 729 | R | 87 | Confident | 94.1 | Very high | 228 Ų | 228 | 61.6 Ų | 61.6 | 86% | 0.86 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -69.1 | -36.1 | -170.3 | -168.4 | -178.1 | 72.9 | -177.6 | 2.6 | 113 | M731 | R729-M731 VanDerWaalsContact C-N 3.26Å; R729-M731 PolarHBondContact O-N 3.19Å |
| 730 | D | 86.1 | Confident | 94.3 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -63.4 | -25.4 | 179.7 | 53.5 | -24.8 | 0 | 0 | 0 | 113.7 | S728 R804 | S728-D730 WeakPolarHBondContact CB-OD1 3.38Å; S728-D730 PolarHBondContact O-N 3.19Å; S728-D730 PolarHBondContact OG-OD1 3.01Å; D730-R804 IonicContact OD1-NH2 3.67Å; D730-R804 IonicContact OD2-NH2 3.25Å; D730-R804 PolarHBondContact OD2-NH2 2.96Å |
| 731 | M | 90.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -130.1 | 26.8 | -176.2 | -69 | 178.5 | -76 | 0 | 0 | 112.2 | V708 V726 S728 R729 G733 Q734 I793 L798 L808 | V708-M731 HydrophobicContact CB-SD 4.38Å; V708-M731 HydrophobicContact CG1-CB 4.43Å; V708-M731 HydrophobicContact CG1-SD 4.04Å; V708-M731 HydrophobicContact CG2-SD 4.37Å; V726-M731 WeakPolarHBondContact CB-O 3.43Å; V726-M731 HydrophobicContact CG1-CB 3.79Å; S728-M731 PolarHBondContact O-N 2.87Å; R729-M731 VanDerWaalsContact C-N 3.26Å; R729-M731 PolarHBondContact O-N 3.19Å; M731-G733 PolarHBondContact O-N 2.98Å; M731-Q734 HydrophobicContact CB-CG 4.48Å; M731-Q734 WeakPolarHBondContact O-CB 3.37Å; M731-Q734 WeakPolarHBondContact O-CG 3.27Å; M731-Q734 PolarHBondContact O-N 3.2Å; M731-I793 HydrophobicContact SD-CD1 3.93Å; M731-L798 HydrophobicContact SD-CD2 4.45Å; M731-L808 HydrophobicContact CE-CD1 3.98Å; M731-L808 HydrophobicContact SD-CD1 4.12Å |
| 732 | R | 90.2 | Very high | 94.4 | Very high | 216 Ų | 216 | 55 Ų | 55 | 82% | 0.815 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 138.4 | -177.7 | -169.3 | 177.8 | -177.4 | -177.5 | 0.6 | 111 | S728 Q734 | S728-R732 PolarHBondContact O-N 3.21Å; R732-Q734 VanDerWaalsContact C-N 3.34Å |
| 733 | G | 92.9 | Very high | 94.3 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 50% | 0.495 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -5.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P711 M731 | P711-G733 WeakPolarHBondContact CD-O 3.37Å; P711-G733 VanDerWaalsContact CG-O 3.22Å; P711-G733 WeakPolarHBondContact CG-O 3.29Å; M731-G733 PolarHBondContact O-N 2.98Å |
| 734 | Q | 95.6 | Very high | 94.3 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -88.6 | 165.1 | 171.3 | -55.7 | -68.6 | -48.6 | 0 | 0 | 111 | V708 V709 V726 M731 R732 | V708-Q734 HydrophobicContact CG1-CB 3.48Å; V708-Q734 VanDerWaalsContact CG1-CB 3.48Å; V708-Q734 HydrophobicContact CG1-CG 3.99Å; V709-Q734 PolarHBondContact O-OE1 3.32Å; V726-Q734 HydrophobicContact CB-CB 4.5Å; V726-Q734 HydrophobicContact CG2-CB 3.94Å; V726-Q734 WeakPolarHBondContact CG2-O 3.22Å; V726-Q734 PolarHBondContact N-O 3.19Å; M731-Q734 HydrophobicContact CB-CG 4.48Å; M731-Q734 WeakPolarHBondContact O-CB 3.37Å; M731-Q734 WeakPolarHBondContact O-CG 3.27Å; M731-Q734 PolarHBondContact O-N 3.2Å; R732-Q734 VanDerWaalsContact C-N 3.34Å |
| 735 | K | 97.3 | Very high | 94.2 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 23% | 0.226 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 136.6 | 173.2 | -64.6 | -63.8 | -172.6 | 179.5 | 0 | 110.8 | V708 V709 P711 M714 L724 D725 | V708-K735 CarbonylContact C-O 3.49Å; V708-K735 VanDerWaalsContact CA-O 3.28Å; V708-K735 WeakPolarHBondContact CA-O 3.22Å; V709-K735 HydrophobicContact CG2-CB 4.05Å; V709-K735 PolarHBondContact N-O 2.91Å; V709-K735 PolarHBondContact O-N 3.17Å; P711-K735 HydrophobicContact CB-CG 4.33Å; P711-K735 HydrophobicContact CG-CG 4.35Å; M714-K735 HydrophobicContact CG-CB 4.22Å; M714-K735 HydrophobicContact CG-CG 4.27Å; L724-K735 CarbonylContact O-C 3.51Å; L724-K735 WeakPolarHBondContact O-CA 3.47Å; D725-K735 WeakPolarHBondContact OD1-CE 3.44Å; D725-K735 IonicContact OD1-NZ 2.95Å; D725-K735 PolarHBondContact OD1-NZ 3.45Å |
| 736 | Y | 97.6 | Very high | 94 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.5 | 171.7 | 175.2 | -87.5 | 0 | 0 | 0 | 109.4 | W684 Q691 N693 A706 V708 S723 L724 L738 L808 | W684-Y736 HydrophobicContact CH2-CD1 4.17Å; W684-Y736 HydrophobicContact CH2-CE1 4.38Å; W684-Y736 HydrophobicContact CZ2-CD1 4.13Å; W684-Y736 HydrophobicContact CZ2-CE1 4.02Å; Q691-Y736 HydrophobicContact CB-CD2 4.19Å; Q691-Y736 HydrophobicContact CB-CE2 4.16Å; Q691-Y736 HydrophobicContact CB-CG 4.41Å; Q691-Y736 HydrophobicContact CG-CD1 3.85Å; Q691-Y736 HydrophobicContact CG-CD2 4.13Å; Q691-Y736 HydrophobicContact CG-CE1 4.13Å; Q691-Y736 HydrophobicContact CG-CE2 4.39Å; Q691-Y736 HydrophobicContact CG-CG 3.85Å; N693-Y736 WeakPolarHBondContact OD1-CE2 3.3Å; N693-Y736 PolarHBondContact OD1-OH 3.06Å; A706-Y736 HydrophobicContact CB-CE2 3.77Å; V708-Y736 HydrophobicContact CG2-CD2 4.19Å; S723-Y736 WeakPolarHBondContact CA-O 3.44Å; L724-Y736 PolarHBondContact N-O 3.49Å; L724-Y736 PolarHBondContact O-N 2.94Å; Y736-L738 HydrophobicContact CE1-CB 3.73Å; Y736-L808 HydrophobicContact CE2-CD2 4.47Å |
| 737 | V | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.3 | 177.8 | -172.5 | 0 | 0 | 0 | 0 | 108.1 | A706 K707 V709 M714 L721 F787 L790 | A706-V737 CarbonylContact C-O 3.59Å; A706-V737 WeakPolarHBondContact CA-O 3.38Å; K707-V737 PolarHBondContact N-O 3.32Å; K707-V737 PolarHBondContact O-N 3.32Å; V709-V737 HydrophobicContact CG2-CG2 4.27Å; M714-V737 HydrophobicContact CE-CG2 3.96Å; M714-V737 HydrophobicContact SD-CG2 3.7Å; L721-V737 HydrophobicContact CD1-CG1 3.94Å; L721-V737 HydrophobicContact CG-CG1 4.4Å; V737-F787 HydrophobicContact CB-CD2 4.43Å; V737-F787 HydrophobicContact CG1-CD2 3.89Å; V737-F787 HydrophobicContact CG1-CE2 4.36Å; V737-L790 HydrophobicContact CG2-CD1 4.26Å |
| 738 | L | 98.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.6 | 172.7 | 178.6 | 71.3 | 0 | 0 | 0 | 107.9 | W684 V696 I704 R705 A706 Y736 I768 | W684-L738 HydrophobicContact CD2-CB 4Å; W684-L738 HydrophobicContact CD2-CD2 4.37Å; W684-L738 HydrophobicContact CE3-CB 4.2Å; W684-L738 HydrophobicContact CG-CB 4.42Å; W684-L738 HydrophobicContact CG-CD2 4.03Å; W684-L738 HydrophobicContact CZ2-CB 4.3Å; W684-L738 HydrophobicContact CZ3-CB 4.44Å; V696-L738 HydrophobicContact CG2-CD1 3.61Å; I704-L738 HydrophobicContact CD1-CD1 3.89Å; I704-L738 HydrophobicContact CD1-CD2 4.16Å; I704-L738 HydrophobicContact CD1-CG 4.05Å; I704-L738 HydrophobicContact CG1-CD1 3.72Å; I704-L738 HydrophobicContact CG1-CG 4.21Å; R705-L738 WeakPolarHBondContact O-CA 3.42Å; A706-L738 HydrophobicContact CB-CD1 4.12Å; Y736-L738 HydrophobicContact CE1-CB 3.73Å; L738-I768 HydrophobicContact CD2-CD1 4.47Å |
| 739 | Q | 98.5 | Very high | 94.5 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.8 | -172.1 | -173.5 | 58.3 | 38.5 | 0 | 0 | 111.9 | I704 R705 L721 E780 Y784 F787 | I704-Q739 WeakPolarHBondContact CA-O 3.41Å; R705-Q739 PolarHBondContact N-O 3.27Å; R705-Q739 PolarHBondContact O-N 2.89Å; L721-Q739 VanDerWaalsContact CD1-OE1 3.25Å; Q739-E780 PolarHBondContact NE2-OE2 3.04Å; Q739-Y784 HydrophobicContact CG-CD2 3.78Å; Q739-F787 HydrophobicContact CB-CB 4.03Å; Q739-F787 HydrophobicContact CB-CD1 4.3Å; Q739-F787 HydrophobicContact CB-CD2 3.56Å; Q739-F787 HydrophobicContact CB-CE2 4.06Å; Q739-F787 HydrophobicContact CB-CG 3.69Å; Q739-F787 HydrophobicContact CG-CB 3.87Å; Q739-F787 HydrophobicContact CG-CD2 4.35Å; Q739-F787 HydrophobicContact CG-CG 4.04Å |
| 740 | V | 98.3 | Very high | 95 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 4% | 0.036 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 142.4 | 173 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | P682 A703 P742 C745 E780 Y784 | P682-V740 HydrophobicContact CG-CB 4.39Å; P682-V740 HydrophobicContact CG-CG2 3.77Å; A703-V740 CarbonylContact O-C 3.49Å; A703-V740 WeakPolarHBondContact O-CA 3.19Å; A703-V740 WeakPolarHBondContact O-CG2 3.17Å; V740-P742 WeakPolarHBondContact O-CD 3.49Å; V740-C745 HydrophobicContact CG2-CB 4.45Å; V740-E780 HydrophobicContact CG1-CB 4.24Å; V740-E780 HydrophobicContact CG1-CG 4.19Å; V740-Y784 WeakPolarHBondContact O-CD2 3.3Å |
| 741 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -89.8 | 92 | 164 | 0 | 0 | 0 | 0 | 0 | 107.7 | A703 E743 D744 C745 Y784 Y815 | A703-A741 HydrophobicContact CB-CB 4.47Å; A703-A741 PolarHBondContact O-N 3.45Å; A741-E743 VanDerWaalsContact C-N 3.27Å; A741-E743 PolarHBondContact O-N 3.27Å; A741-D744 HydrophobicContact CB-CB 4.09Å; A741-D744 PolarHBondContact O-N 3.04Å; A741-D744 VanDerWaalsContact O-N 3.13Å; A741-C745 PolarHBondContact O-N 3.29Å; A741-Y784 HydrophobicContact CB-CD1 3.96Å; A741-Y784 HydrophobicContact CB-CD2 4.03Å; A741-Y784 HydrophobicContact CB-CE1 3.56Å; A741-Y784 HydrophobicContact CB-CE2 3.67Å; A741-Y784 HydrophobicContact CB-CG 4.19Å; A741-Y784 VanDerWaalsContact CB-CZ 3.43Å; A741-Y815 HydrophobicContact CB-CE1 4.18Å | ||
| 742 | P | 96.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32.8 | -164.9 | 27.5 | -38.1 | 0 | 0 | 0 | 112.9 | I681 V740 V777 E780 K781 | I681-P742 HydrophobicContact CD1-CB 3.7Å; V740-P742 WeakPolarHBondContact O-CD 3.49Å; P742-V777 HydrophobicContact CB-CG2 4.24Å; P742-E780 HydrophobicContact CB-CB 3.97Å; P742-E780 HydrophobicContact CG-CB 3.81Å; P742-K781 HydrophobicContact CG-CG 3.8Å |
| 743 | E | 94 | Very high | 96.2 | Very high | 35 Ų | 35 | 21.9 Ų | 21.9 | 16% | 0.164 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.9 | -178.9 | -66.1 | 174.6 | 133.2 | 0 | 0 | 113.6 | K674 R675 N676 A741 V777 K781 | K674-E743 CarbonylContact C-O 3.15Å; K674-E743 HydrophobicContact CB-CB 4Å; K674-E743 HydrophobicContact CD-CB 4.04Å; R675-E743 PolarHBondContact N-O 3.33Å; N676-E743 WeakPolarHBondContact CA-O 3.47Å; N676-E743 HydrophobicContact CB-CB 4.41Å; N676-E743 HydrophobicContact CB-CG 4.41Å; N676-E743 PolarHBondContact N-O 3.45Å; A741-E743 VanDerWaalsContact C-N 3.27Å; A741-E743 PolarHBondContact O-N 3.27Å; E743-V777 HydrophobicContact CG-CG2 4.28Å; E743-K781 HydrophobicContact CG-CD 4.12Å; E743-K781 HydrophobicContact CG-CG 4.19Å; E743-K781 WeakPolarHBondContact OE1-CD 3.46Å; E743-K781 VanDerWaalsContact OE1-CE 3.29Å; E743-K781 WeakPolarHBondContact OE1-CE 3.3Å; E743-K781 IonicContact OE1-NZ 3.43Å; E743-K781 PolarHBondContact OE1-NZ 3.3Å |
| 744 | D | 95.2 | Very high | 96.3 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 5% | 0.053 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -8.7 | 179.1 | -60.1 | -56 | 0 | 0 | 0 | 112.9 | K674 A741 Y815 | K674-D744 WeakPolarHBondContact CD-OD2 3.44Å; K674-D744 IonicContact NZ-OD2 2.68Å; K674-D744 PolarHBondContact NZ-OD2 3.34Å; A741-D744 HydrophobicContact CB-CB 4.09Å; A741-D744 PolarHBondContact O-N 3.04Å; A741-D744 VanDerWaalsContact O-N 3.13Å; D744-Y815 HydrophobicContact CB-CD1 3.27Å; D744-Y815 HydrophobicContact CB-CE1 3.66Å; D744-Y815 HydrophobicContact CB-CG 3.78Å |
| 745 | C | 95.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 7% | 0.074 | 10% | 0.102 | C | C | . | . | trans | -65 | 140.9 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | A678 I681 P682 A703 V740 A741 G747 | A678-C745 WeakPolarHBondContact CB-O 3.25Å; I681-C745 HydrophobicContact CG2-CB 4.03Å; P682-C745 VanDerWaalsContact CD-SG 3.59Å; A703-C745 HydrophobicContact CB-CB 4.2Å; V740-C745 HydrophobicContact CG2-CB 4.45Å; A741-C745 PolarHBondContact O-N 3.29Å; C745-G747 PolarHBondContact SG-N 2.89Å | ||
| 746 | T | 92.9 | Very high | 96.3 | Very high | 22 Ų | 22 | 19.2 Ų | 19.2 | 14% | 0.135 | 11% | 0.114 | C | C | . | . | trans | -102.6 | 3.8 | 175.6 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | I677 C748 S820 | I677-T746 HydrophobicContact CD1-CG2 4.34Å; T746-C748 VanDerWaalsContact C-N 3.34Å; T746-C748 PolarHBondContact O-N 2.78Å; T746-S820 WeakPolarHBondContact CB-OG 3.35Å; T746-S820 PolarHBondContact O-OG 2.96Å; T746-S820 PolarHBondContact OG1-OG 3.02Å | ||
| 747 | G | 93.4 | Very high | 96.2 | Very high | 26 Ų | 26 | 19.4 Ų | 19.4 | 27% | 0.268 | 12% | 0.117 | S | C | . | . | trans | 69.3 | 22.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C745 N749 | C745-G747 PolarHBondContact SG-N 2.89Å; G747-N749 PolarHBondContact O-N 3.46Å; G747-N749 VanDerWaalsContact O-N 3.09Å | ||
| 748 | C | 93.6 | Very high | 96 | Very high | 22 Ų | 22 | 24.9 Ų | 24.9 | 15% | 0.149 | 14% | 0.141 | C | C | . | . | trans | -68.7 | -4.3 | -173.2 | 68.1 | 0 | 0 | 0 | 0 | 116.3 | T746 L750 S820 A1079 | T746-C748 VanDerWaalsContact C-N 3.34Å; T746-C748 PolarHBondContact O-N 2.78Å; C748-L750 PolarHBondContact O-N 2.88Å; C748-S820 WeakPolarHBondContact CA-OG 3.29Å; C748-S820 WeakPolarHBondContact CB-OG 3.22Å; C748-S820 PolarHBondContact N-OG 3.16Å; C748-A1079 VanDerWaalsContact O-CB 3.3Å; C748-A1079 WeakPolarHBondContact O-CB 3.39Å | ||
| 749 | N | 95.6 | Very high | 95.8 | Very high | 44 Ų | 44 | 26.8 Ų | 26.8 | 24% | 0.235 | 15% | 0.151 | C | C | . | . | trans | 58.2 | -7.3 | -176.6 | -167.9 | 44 | 0 | 0 | 0 | 116.6 | G747 C751 V752 E753 M770 A1079 | G747-N749 PolarHBondContact O-N 3.46Å; G747-N749 VanDerWaalsContact O-N 3.09Å; N749-C751 VanDerWaalsContact C-N 3.3Å; N749-C751 PolarHBondContact O-N 3.39Å; N749-V752 WeakPolarHBondContact O-CB 3.41Å; N749-V752 PolarHBondContact O-N 2.94Å; N749-V752 VanDerWaalsContact OD1-CB 3.28Å; N749-V752 WeakPolarHBondContact OD1-CB 2.82Å; N749-E753 PolarHBondContact ND2-OE1 3.29Å; N749-E753 PolarHBondContact O-N 2.94Å; N749-M770 HydrophobicContact CB-CG 4.14Å; N749-M770 HydrophobicContact CB-SD 4.5Å; N749-M770 WeakPolarHBondContact OD1-CG 3.49Å; N749-A1079 HydrophobicContact CB-CB 4.1Å | ||
| 750 | L | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.4 | -39.3 | -175.5 | -179 | 58.5 | 0 | 0 | 0 | 113.2 | A698 C748 V752 E753 V754 A1079 | A698-L750 HydrophobicContact CB-CD2 4.16Å; A698-L750 HydrophobicContact CB-CG 4Å; A698-L750 VanDerWaalsContact O-CD2 3.29Å; A698-L750 WeakPolarHBondContact O-CD2 3.17Å; C748-L750 PolarHBondContact O-N 2.88Å; L750-V752 VanDerWaalsContact C-N 3.27Å; L750-V752 PolarHBondContact O-N 3.39Å; L750-E753 PolarHBondContact O-N 3.43Å; L750-V754 HydrophobicContact CD1-CG1 3.91Å; L750-V754 HydrophobicContact CG-CG1 4.42Å; L750-V754 WeakPolarHBondContact O-CG1 3.48Å; L750-V754 WeakPolarHBondContact O-CG2 3.46Å; L750-V754 PolarHBondContact O-N 3.36Å; L750-A1079 VanDerWaalsContact CD1-O 3.26Å; L750-A1079 WeakPolarHBondContact CD1-O 3.23Å |
| 751 | C | 97.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -31.3 | 178.6 | 62 | 0 | 0 | 0 | 0 | 113.7 | P682 C695 I704 N749 V754 | P682-C751 VanDerWaalsContact CB-SG 3.58Å; C695-C751 HydrophobicContact CB-CB 3.85Å; I704-C751 HydrophobicContact CG2-CB 4.29Å; N749-C751 VanDerWaalsContact C-N 3.3Å; N749-C751 PolarHBondContact O-N 3.39Å; C751-V754 WeakPolarHBondContact O-CG2 3.41Å |
| 752 | V | 97.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -78.4 | -41.1 | 175 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | P682 N749 L750 V754 C755 K766 I768 M770 | P682-V752 HydrophobicContact CB-CG2 4.37Å; N749-V752 WeakPolarHBondContact O-CB 3.41Å; N749-V752 PolarHBondContact O-N 2.94Å; N749-V752 VanDerWaalsContact OD1-CB 3.28Å; N749-V752 WeakPolarHBondContact OD1-CB 2.82Å; L750-V752 VanDerWaalsContact C-N 3.27Å; L750-V752 PolarHBondContact O-N 3.39Å; V752-V754 PolarHBondContact O-N 2.92Å; V752-C755 WeakPolarHBondContact O-CB 3.29Å; V752-C755 PolarHBondContact O-N 3.2Å; V752-K766 HydrophobicContact CG1-CD 3.89Å; V752-K766 WeakPolarHBondContact O-CD 3.31Å; V752-K766 PolarHBondContact O-NZ 3.44Å; V752-I768 WeakPolarHBondContact CG1-O 3.39Å; V752-I768 HydrophobicContact CG2-CG1 4.45Å; V752-I768 HydrophobicContact CG2-CG2 4.16Å; V752-M770 HydrophobicContact CG2-CG 3.96Å; V752-M770 HydrophobicContact CG2-SD 3.9Å |
| 753 | E | 96.3 | Very high | 94.5 | Very high | 76 Ų | 76 | 53.1 Ų | 53.1 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 177.1 | -70.5 | -45.7 | 131.8 | 0 | 0 | 113.7 | N749 L750 C755 K766 A1079 L1080 | N749-E753 PolarHBondContact ND2-OE1 3.29Å; N749-E753 PolarHBondContact O-N 2.94Å; L750-E753 PolarHBondContact O-N 3.43Å; E753-C755 VanDerWaalsContact C-N 3.27Å; E753-C755 PolarHBondContact O-N 3.05Å; E753-K766 IonicContact OE1-NZ 3.68Å; E753-K766 PolarHBondContact OE1-NZ 3.38Å; E753-K766 IonicContact OE2-NZ 3.17Å; E753-K766 PolarHBondContact OE2-NZ 3.42Å; E753-A1079 WeakPolarHBondContact CB-O 3.02Å; E753-A1079 HydrophobicContact CG-CB 4.2Å; E753-L1080 HydrophobicContact CG-CD2 4.38Å |
| 754 | V | 96.7 | Very high | 94.3 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -7.8 | 178.2 | -57.3 | 0 | 0 | 0 | 0 | 114.1 | H694 A698 L750 C751 V752 P756 H1082 | H694-V754 HydrophobicContact CB-CG2 4.19Å; A698-V754 HydrophobicContact CB-CB 4.42Å; A698-V754 HydrophobicContact CB-CG1 3.93Å; A698-V754 HydrophobicContact CB-CG2 3.81Å; L750-V754 HydrophobicContact CD1-CG1 3.91Å; L750-V754 HydrophobicContact CG-CG1 4.42Å; L750-V754 WeakPolarHBondContact O-CG1 3.48Å; L750-V754 WeakPolarHBondContact O-CG2 3.46Å; L750-V754 PolarHBondContact O-N 3.36Å; C751-V754 WeakPolarHBondContact O-CG2 3.41Å; V752-V754 PolarHBondContact O-N 2.92Å; V754-P756 VanDerWaalsContact O-CD 3.23Å; V754-P756 WeakPolarHBondContact O-CD 3.4Å; V754-H1082 HydrophobicContact CG1-CB 3.79Å; V754-H1082 WeakPolarHBondContact CG1-ND1 3.44Å |
| 755 | C | 97.1 | Very high | 94.3 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 10% | 0.095 | 31% | 0.31 | C | S | . | . | trans | -69.2 | 115 | -177.1 | -180 | 0 | 0 | 0 | 0 | 110.9 | V752 E753 A757 K766 I768 | V752-C755 WeakPolarHBondContact O-CB 3.29Å; V752-C755 PolarHBondContact O-N 3.2Å; E753-C755 VanDerWaalsContact C-N 3.27Å; E753-C755 PolarHBondContact O-N 3.05Å; C755-A757 VanDerWaalsContact C-N 3.3Å; C755-A757 PolarHBondContact O-N 3.31Å; C755-A757 PolarHBondContact SG-O 3.49Å; C755-A757 VanDerWaalsContact SG-O 3.4Å; C755-K766 HydrophobicContact CB-CB 4.39Å; C755-K766 HydrophobicContact CB-CD 4.28Å; C755-I768 HydrophobicContact CB-CG2 3.87Å | ||
| 756 | P | 94.7 | Very high | 94.3 | Very high | 75 Ų | 75 | 61.5 Ų | 61.5 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | trans | -79.3 | -16 | -178.2 | 32.9 | -35.2 | 0 | 0 | 0 | 112.8 | V754 | V754-P756 VanDerWaalsContact O-CD 3.23Å; V754-P756 WeakPolarHBondContact O-CD 3.4Å | ||
| 757 | A | 95.3 | Very high | 94.5 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 8% | 0.083 | 31% | 0.306 | C | S | . | . | trans | -88.7 | 119 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | L688 T690 C755 K766 A767 | L688-A757 VanDerWaalsContact O-CB 3.26Å; L688-A757 WeakPolarHBondContact O-CB 3.39Å; T690-A757 HydrophobicContact CG2-CB 4.03Å; C755-A757 VanDerWaalsContact C-N 3.3Å; C755-A757 PolarHBondContact O-N 3.31Å; C755-A757 PolarHBondContact SG-O 3.49Å; C755-A757 VanDerWaalsContact SG-O 3.4Å; A757-K766 VanDerWaalsContact O-CA 3.31Å; A757-K766 WeakPolarHBondContact O-CA 3.47Å; A757-A767 HydrophobicContact CB-CB 3.85Å; A757-A767 PolarHBondContact O-N 3Å | ||
| 758 | K | 93.3 | Very high | 94.7 | Very high | 115 Ų | 115 | 59.6 Ų | 59.6 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -124.4 | 147.7 | -179.5 | -54.1 | -173.9 | 177.3 | -172.1 | 0 | 109.8 | P763 K766 | K758-P763 HydrophobicContact CD-CB 4.28Å; K758-K766 HydrophobicContact CG-CG 4.31Å |
| 759 | D | 94 | Very high | 94.8 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 24% | 0.235 | 29% | 0.292 | C | S | . | . | trans | -63.3 | 145.1 | 170.2 | -179.7 | -103.2 | 0 | 0 | 0 | 110.5 | L688 Q761 N762 I765 | L688-D759 HydrophobicContact CD1-CB 4Å; L688-D759 HydrophobicContact CD2-CB 4.29Å; D759-Q761 WeakPolarHBondContact OD1-CA 3.13Å; D759-Q761 WeakPolarHBondContact OD1-CB 3.31Å; D759-Q761 PolarHBondContact OD1-N 3.38Å; D759-N762 WeakPolarHBondContact CB-O 3.45Å; D759-N762 PolarHBondContact OD1-N 3.14Å; D759-I765 HydrophobicContact CB-CB 4.08Å; D759-I765 HydrophobicContact CB-CG2 4.31Å; D759-I765 PolarHBondContact N-O 3.19Å | ||
| 760 | R | 91.4 | Very high | 94.9 | Very high | 245 Ų | 245 | 58.8 Ų | 58.8 | 93% | 0.925 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -75.8 | -28.3 | -176.3 | -69.6 | -177.4 | 178.4 | 176.3 | -0.1 | 112.8 | ||
| 761 | Q | 92.3 | Very high | 94.8 | Very high | 185 Ų | 185 | 61.3 Ų | 61.3 | 86% | 0.864 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -90.6 | -38.4 | -178 | -59.5 | -178.4 | -4.2 | 0 | 0 | 110.9 | D759 | D759-Q761 WeakPolarHBondContact OD1-CA 3.13Å; D759-Q761 WeakPolarHBondContact OD1-CB 3.31Å; D759-Q761 PolarHBondContact OD1-N 3.38Å |
| 762 | N | 91.8 | Very high | 94.6 | Very high | 65 Ų | 65 | 62.6 Ų | 62.6 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | trans | -129.9 | 97.4 | 175.6 | -173.7 | -3.9 | 0 | 0 | 0 | 112.1 | D759 E764 I765 | D759-N762 WeakPolarHBondContact CB-O 3.45Å; D759-N762 PolarHBondContact OD1-N 3.14Å; N762-E764 PolarHBondContact O-N 3.23Å; N762-E764 WeakPolarHBondContact OD1-CB 3.49Å; N762-E764 PolarHBondContact OD1-N 3.05Å; N762-E764 VanDerWaalsContact OD1-N 3.12Å; N762-I765 HydrophobicContact CB-CD1 4.15Å; N762-I765 HydrophobicContact CB-CG1 4.3Å; N762-I765 PolarHBondContact O-N 2.58Å | ||
| 763 | P | 89.9 | Confident | 94.4 | Very high | 75 Ų | 75 | 64 Ų | 64 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -13.8 | -179.8 | -25.1 | 35 | 0 | 0 | 0 | 116.2 | K758 I765 | K758-P763 HydrophobicContact CD-CB 4.28Å; P763-I765 VanDerWaalsContact C-N 3.29Å |
| 764 | E | 90 | Very high | 94 | Very high | 162 Ų | 162 | 65.7 Ų | 65.7 | 76% | 0.757 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -27.9 | 172.5 | -61.4 | -168.1 | 156.2 | 0 | 0 | 111.8 | N762 K766 | N762-E764 PolarHBondContact O-N 3.23Å; N762-E764 WeakPolarHBondContact OD1-CB 3.49Å; N762-E764 PolarHBondContact OD1-N 3.05Å; N762-E764 VanDerWaalsContact OD1-N 3.12Å; E764-K766 PolarHBondContact O-N 3.27Å |
| 765 | I | 93.7 | Very high | 93.9 | Very high | 52 Ų | 52 | 72.2 Ų | 72.2 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | trans | -81.3 | 114.3 | 173.9 | -59 | 176.2 | 0 | 0 | 0 | 108.1 | K685 L688 D759 N762 P763 | K685-I765 HydrophobicContact CD-CG2 3.74Å; K685-I765 VanDerWaalsContact NZ-CG2 3.28Å; L688-I765 HydrophobicContact CD1-CG2 4.12Å; D759-I765 HydrophobicContact CB-CB 4.08Å; D759-I765 HydrophobicContact CB-CG2 4.31Å; D759-I765 PolarHBondContact N-O 3.19Å; N762-I765 HydrophobicContact CB-CD1 4.15Å; N762-I765 HydrophobicContact CB-CG1 4.3Å; N762-I765 PolarHBondContact O-N 2.58Å; P763-I765 VanDerWaalsContact C-N 3.29Å | ||
| 766 | K | 96.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 73.6 Ų | 73.6 | 8% | 0.083 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -102.2 | 174 | 176 | -60 | -178.5 | -173 | 166.7 | 0 | 110.3 | V752 E753 C755 A757 K758 E764 I768 N769 | V752-K766 HydrophobicContact CG1-CD 3.89Å; V752-K766 WeakPolarHBondContact O-CD 3.31Å; V752-K766 PolarHBondContact O-NZ 3.44Å; E753-K766 IonicContact OE1-NZ 3.68Å; E753-K766 PolarHBondContact OE1-NZ 3.38Å; E753-K766 IonicContact OE2-NZ 3.17Å; E753-K766 PolarHBondContact OE2-NZ 3.42Å; C755-K766 HydrophobicContact CB-CB 4.39Å; C755-K766 HydrophobicContact CB-CD 4.28Å; A757-K766 VanDerWaalsContact O-CA 3.31Å; A757-K766 WeakPolarHBondContact O-CA 3.47Å; K758-K766 HydrophobicContact CG-CG 4.31Å; E764-K766 PolarHBondContact O-N 3.27Å; K766-I768 WeakPolarHBondContact CB-O 3.39Å; K766-I768 PolarHBondContact O-N 2.97Å; K766-I768 VanDerWaalsContact O-N 3.15Å; K766-N769 PolarHBondContact N-OD1 3.47Å; K766-N769 PolarHBondContact O-ND2 2.93Å |
| 767 | A | 97.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 70.5 Ų | 70.5 | 3% | 0.033 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -65.7 | -10 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K685 L688 C689 A757 | K685-A767 PolarHBondContact N-O 3.36Å; L688-A767 HydrophobicContact CB-CB 3.7Å; C689-A767 HydrophobicContact CB-CB 4.12Å; A757-A767 HydrophobicContact CB-CB 3.85Å; A757-A767 PolarHBondContact O-N 3Å |
| 768 | I | 96.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 135.7 | 172.9 | -170.2 | 168.5 | 0 | 0 | 0 | 108.2 | P682 I683 I704 L738 V752 C755 K766 | P682-I768 HydrophobicContact CB-CD1 3.65Å; P682-I768 HydrophobicContact CB-CG1 3.71Å; P682-I768 HydrophobicContact CG-CD1 4.43Å; I683-I768 WeakPolarHBondContact O-CA 3.39Å; I704-I768 HydrophobicContact CD1-CD1 3.06Å; L738-I768 HydrophobicContact CD2-CD1 4.47Å; V752-I768 WeakPolarHBondContact CG1-O 3.39Å; V752-I768 HydrophobicContact CG2-CG1 4.45Å; V752-I768 HydrophobicContact CG2-CG2 4.16Å; C755-I768 HydrophobicContact CB-CG2 3.87Å; K766-I768 WeakPolarHBondContact CB-O 3.39Å; K766-I768 PolarHBondContact O-N 2.97Å; K766-I768 VanDerWaalsContact O-N 3.15Å |
| 769 | N | 97.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 75 Ų | 75 | 10% | 0.096 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.2 | -171.1 | -52.7 | -89.9 | 0 | 0 | 0 | 110.4 | P682 I683 K766 | P682-N769 CarbonylContact C-O 3.55Å; P682-N769 WeakPolarHBondContact CA-O 3.34Å; I683-N769 PolarHBondContact N-O 2.87Å; I683-N769 PolarHBondContact O-N 3.32Å; K766-N769 PolarHBondContact N-OD1 3.47Å; K766-N769 PolarHBondContact O-ND2 2.93Å |
| 770 | M | 96.4 | Very high | 94.1 | Very high | 31 Ų | 31 | 73.6 Ų | 73.6 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.5 | 172.4 | -61.2 | -55.4 | -65.4 | 0 | 0 | 109.5 | E680 P682 N749 V752 | E680-M770 VanDerWaalsContact C-CE 3.4Å; E680-M770 HydrophobicContact CB-CB 4.14Å; E680-M770 HydrophobicContact CB-CE 3.69Å; E680-M770 WeakPolarHBondContact O-CE 3.44Å; P682-M770 HydrophobicContact CB-SD 4.03Å; N749-M770 HydrophobicContact CB-CG 4.14Å; N749-M770 HydrophobicContact CB-SD 4.5Å; N749-M770 WeakPolarHBondContact OD1-CG 3.49Å; V752-M770 HydrophobicContact CG2-CG 3.96Å; V752-M770 HydrophobicContact CG2-SD 3.9Å |
| 771 | M | 95.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 64.6 Ų | 64.6 | 27% | 0.271 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 163.5 | 175.4 | -61.9 | -173.4 | 172.3 | 0 | 0 | 110.4 | E680 I681 I683 R773 | E680-M771 CarbonylContact C-O 3.56Å; E680-M771 WeakPolarHBondContact CA-O 3.44Å; E680-M771 VanDerWaalsContact CB-O 3.3Å; E680-M771 WeakPolarHBondContact CB-O 3.47Å; I681-M771 PolarHBondContact N-O 3.35Å; I681-M771 PolarHBondContact O-N 2.94Å; I683-M771 HydrophobicContact CB-CG 4.24Å; I683-M771 HydrophobicContact CB-SD 3.85Å; I683-M771 HydrophobicContact CG1-CB 3.78Å; I683-M771 HydrophobicContact CG1-CG 4.01Å; I683-M771 HydrophobicContact CG1-SD 3.9Å; I683-M771 HydrophobicContact CG2-SD 4.11Å; M771-R773 PolarHBondContact O-N 3.4Å |
| 772 | S | 93.3 | Very high | 94.5 | Very high | 36 Ų | 36 | 60.7 Ų | 60.7 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 119.7 | -178.5 | 176.3 | 0 | 0 | 0 | 0 | 112 | L774 E775 H776 | S772-L774 PolarHBondContact O-N 3.05Å; S772-L774 PolarHBondContact OG-N 3.41Å; S772-E775 PolarHBondContact O-N 3.2Å; S772-H776 PolarHBondContact O-CD2 3.18Å; S772-H776 VanDerWaalsContact O-CD2 3.29Å; S772-H776 PolarHBondContact O-N 2.88Å |
| 773 | R | 92.4 | Very high | 94.8 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 15% | 0.151 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -38.9 | 174.6 | -176.6 | -167.6 | 63.9 | 75.5 | 10.8 | 111.3 | N676 A678 E679 I681 M771 E775 H776 V777 | N676-R773 PolarHBondContact ND2-NH1 2.96Å; N676-R773 WeakPolarHBondContact OD1-CD 3.18Å; N676-R773 PolarHBondContact OD1-NE 3.2Å; N676-R773 PolarHBondContact OD1-NH1 3.41Å; A678-R773 WeakPolarHBondContact O-CD 3.44Å; A678-R773 PolarHBondContact O-NE 2.6Å; E679-R773 VanDerWaalsContact O-CB 3.22Å; E679-R773 WeakPolarHBondContact O-CB 3.39Å; E679-R773 PolarHBondContact O-N 2.74Å; I681-R773 HydrophobicContact CD1-CG 4.49Å; I681-R773 HydrophobicContact CG1-CB 4.47Å; I681-R773 HydrophobicContact CG2-CB 4.16Å; I681-R773 HydrophobicContact CG2-CG 4.01Å; M771-R773 PolarHBondContact O-N 3.4Å; R773-E775 PolarHBondContact O-N 3.35Å; R773-H776 PolarHBondContact O-N 2.73Å; R773-V777 HydrophobicContact CG-CB 3.98Å; R773-V777 HydrophobicContact CG-CG2 4.42Å; R773-V777 VanDerWaalsContact O-CB 3.25Å; R773-V777 WeakPolarHBondContact O-CB 3.45Å; R773-V777 WeakPolarHBondContact O-CG1 3.34Å; R773-V777 PolarHBondContact O-N 2.68Å |
| 774 | L | 87.9 | Confident | 95.2 | Very high | 112 Ų | 112 | 54.2 Ų | 54.2 | 59% | 0.586 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61 | -29.2 | -177.2 | -70.2 | 173.8 | 0 | 0 | 0 | 112.8 | S772 | S772-L774 PolarHBondContact O-N 3.05Å; S772-L774 PolarHBondContact OG-N 3.41Å |
| 775 | E | 93.9 | Very high | 95.5 | Very high | 156 Ų | 156 | 50.9 Ų | 50.9 | 73% | 0.729 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -85.5 | -24.9 | -178.9 | -67.4 | 173.2 | -176 | 0 | 0 | 112.6 | S772 R773 | S772-E775 PolarHBondContact O-N 3.2Å; R773-E775 PolarHBondContact O-N 3.35Å |
| 776 | H | 95.9 | Very high | 95.6 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 20% | 0.199 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -117.4 | -17.8 | -168.6 | -68.1 | -75.3 | 0 | 0 | 0 | 115.3 | I681 I683 S772 R773 E778 E779 E780 | I681-H776 HydrophobicContact CD1-CB 4.11Å; I683-H776 HydrophobicContact CD1-CB 3.85Å; S772-H776 PolarHBondContact O-CD2 3.18Å; S772-H776 VanDerWaalsContact O-CD2 3.29Å; S772-H776 PolarHBondContact O-N 2.88Å; R773-H776 PolarHBondContact O-N 2.73Å; H776-E778 PolarHBondContact O-N 3.12Å; H776-E779 PolarHBondContact O-N 3.13Å; H776-E780 HydrophobicContact CB-CG 4.32Å; H776-E780 WeakPolarHBondContact O-CG 3.48Å; H776-E780 PolarHBondContact O-N 2.95Å |
| 777 | V | 94 | Very high | 95.7 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.8 | -40.6 | -170 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | P742 E743 R773 K781 | P742-V777 HydrophobicContact CB-CG2 4.24Å; E743-V777 HydrophobicContact CG-CG2 4.28Å; R773-V777 HydrophobicContact CG-CB 3.98Å; R773-V777 HydrophobicContact CG-CG2 4.42Å; R773-V777 VanDerWaalsContact O-CB 3.25Å; R773-V777 WeakPolarHBondContact O-CB 3.45Å; R773-V777 WeakPolarHBondContact O-CG1 3.34Å; R773-V777 PolarHBondContact O-N 2.68Å; V777-K781 HydrophobicContact CG2-CD 3.87Å; V777-K781 HydrophobicContact CG2-CG 4.31Å; V777-K781 WeakPolarHBondContact O-CB 3.44Å; V777-K781 WeakPolarHBondContact O-CD 3.48Å; V777-K781 WeakPolarHBondContact O-CG 3.23Å; V777-K781 PolarHBondContact O-N 3.34Å |
| 778 | E | 94.6 | Very high | 95.6 | Very high | 125 Ų | 125 | 52.1 Ų | 52.1 | 58% | 0.584 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -69 | -40 | -177.2 | -64.9 | -54.1 | 131.6 | 0 | 0 | 112.4 | H776 K781 | H776-E778 PolarHBondContact O-N 3.12Å; E778-K781 IonicContact OE1-NZ 2.69Å; E778-K781 IonicContact OE2-NZ 2.81Å |
| 779 | E | 96.9 | Very high | 95.5 | Very high | 95 Ų | 95 | 58.7 Ų | 58.7 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.8 | -46.9 | 175.6 | -175.7 | 175 | 89 | 0 | 0 | 110.8 | S720 H776 K781 I782 N783 | S720-E779 VanDerWaalsContact CB-CD 3.49Å; H776-E779 PolarHBondContact O-N 3.13Å; E779-K781 VanDerWaalsContact C-N 3.26Å; E779-K781 PolarHBondContact O-N 3.06Å; E779-I782 PolarHBondContact O-N 3.44Å; E779-N783 PolarHBondContact O-N 3.37Å; E779-N783 VanDerWaalsContact O-N 3.09Å |
| 780 | E | 97.7 | Very high | 95.5 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70 | -22.5 | -176.6 | -64.7 | -63 | -177.1 | 0 | 0 | 113.4 | I681 I683 Q739 V740 P742 H776 N783 Y784 | I681-E780 HydrophobicContact CD1-CG 4.32Å; I683-E780 HydrophobicContact CD1-CG 3.97Å; Q739-E780 PolarHBondContact NE2-OE2 3.04Å; V740-E780 HydrophobicContact CG1-CB 4.24Å; V740-E780 HydrophobicContact CG1-CG 4.19Å; P742-E780 HydrophobicContact CB-CB 3.97Å; P742-E780 HydrophobicContact CG-CB 3.81Å; H776-E780 HydrophobicContact CB-CG 4.32Å; H776-E780 WeakPolarHBondContact O-CG 3.48Å; H776-E780 PolarHBondContact O-N 2.95Å; E780-N783 PolarHBondContact OE2-ND2 3.01Å; E780-Y784 WeakPolarHBondContact O-CB 3.25Å; E780-Y784 PolarHBondContact O-N 3.2Å |
| 781 | K | 95.8 | Very high | 95.4 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 170.7 | -80.4 | 166 | 65.8 | 173.2 | 0 | 111.2 | P742 E743 V777 E778 E779 N783 Y784 D785 | P742-K781 HydrophobicContact CG-CG 3.8Å; E743-K781 HydrophobicContact CG-CD 4.12Å; E743-K781 HydrophobicContact CG-CG 4.19Å; E743-K781 WeakPolarHBondContact OE1-CD 3.46Å; E743-K781 VanDerWaalsContact OE1-CE 3.29Å; E743-K781 WeakPolarHBondContact OE1-CE 3.3Å; E743-K781 IonicContact OE1-NZ 3.43Å; E743-K781 PolarHBondContact OE1-NZ 3.3Å; V777-K781 HydrophobicContact CG2-CD 3.87Å; V777-K781 HydrophobicContact CG2-CG 4.31Å; V777-K781 WeakPolarHBondContact O-CB 3.44Å; V777-K781 WeakPolarHBondContact O-CD 3.48Å; V777-K781 WeakPolarHBondContact O-CG 3.23Å; V777-K781 PolarHBondContact O-N 3.34Å; E778-K781 IonicContact OE1-NZ 2.69Å; E778-K781 IonicContact OE2-NZ 2.81Å; E779-K781 VanDerWaalsContact C-N 3.26Å; E779-K781 PolarHBondContact O-N 3.06Å; K781-N783 VanDerWaalsContact C-N 3.33Å; K781-N783 PolarHBondContact O-N 3.2Å; K781-Y784 PolarHBondContact O-N 3.4Å; K781-D785 PolarHBondContact O-N 3.42Å |
| 782 | I | 96.9 | Very high | 95.3 | Very high | 103 Ų | 103 | 61 Ų | 61 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 178 | -62.3 | 169 | 0 | 0 | 0 | 110.1 | P718 E779 Y784 D785 F786 | P718-I782 HydrophobicContact CB-CG2 4.27Å; P718-I782 HydrophobicContact CG-CG2 3.85Å; E779-I782 PolarHBondContact O-N 3.44Å; I782-Y784 VanDerWaalsContact C-N 3.34Å; I782-Y784 PolarHBondContact O-N 2.66Å; I782-D785 PolarHBondContact O-N 3.1Å; I782-F786 PolarHBondContact O-N 2.99Å; I782-F786 VanDerWaalsContact O-N 3.15Å |
| 783 | N | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175.9 | -70.5 | -13.7 | 0 | 0 | 0 | 111.7 | S720 L721 E779 E780 K781 F786 F787 | S720-N783 PolarHBondContact O-ND2 2.81Å; S720-N783 PolarHBondContact OG-OD1 3.02Å; L721-N783 HydrophobicContact CD1-CB 4.02Å; L721-N783 PolarHBondContact N-OD1 3.49Å; E779-N783 PolarHBondContact O-N 3.37Å; E779-N783 VanDerWaalsContact O-N 3.09Å; E780-N783 PolarHBondContact OE2-ND2 3.01Å; K781-N783 VanDerWaalsContact C-N 3.33Å; K781-N783 PolarHBondContact O-N 3.2Å; N783-F786 PolarHBondContact O-N 2.91Å; N783-F787 WeakPolarHBondContact O-CB 3.42Å; N783-F787 PolarHBondContact O-N 3.2Å |
| 784 | Y | 97.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -41.8 | -179 | -166.4 | -114.2 | 0 | 0 | 0 | 113.2 | R705 Q739 V740 A741 E780 K781 I782 F786 F787 L788 Y815 | R705-Y784 PolarHBondContact NE-OH 3.09Å; Q739-Y784 HydrophobicContact CG-CD2 3.78Å; V740-Y784 WeakPolarHBondContact O-CD2 3.3Å; A741-Y784 HydrophobicContact CB-CD1 3.96Å; A741-Y784 HydrophobicContact CB-CD2 4.03Å; A741-Y784 HydrophobicContact CB-CE1 3.56Å; A741-Y784 HydrophobicContact CB-CE2 3.67Å; A741-Y784 HydrophobicContact CB-CG 4.19Å; A741-Y784 VanDerWaalsContact CB-CZ 3.43Å; E780-Y784 WeakPolarHBondContact O-CB 3.25Å; E780-Y784 PolarHBondContact O-N 3.2Å; K781-Y784 PolarHBondContact O-N 3.4Å; I782-Y784 VanDerWaalsContact C-N 3.34Å; I782-Y784 PolarHBondContact O-N 2.66Å; Y784-F786 VanDerWaalsContact C-N 3.31Å; Y784-F786 PolarHBondContact O-N 3.35Å; Y784-F787 HydrophobicContact CD2-CD1 4.18Å; Y784-F787 AromaticContact CE2-CD1 3.88Å; Y784-F787 HydrophobicContact CE2-CD1 3.88Å; Y784-F787 HydrophobicContact CE2-CE1 4.32Å; Y784-F787 WeakPolarHBondContact O-CB 3.45Å; Y784-F787 PolarHBondContact O-N 2.89Å; Y784-F787 VanDerWaalsContact O-N 3.17Å; Y784-L788 HydrophobicContact CD1-CD1 3.99Å; Y784-L788 HydrophobicContact CD1-CG 4.19Å; Y784-L788 HydrophobicContact CE1-CD1 3.65Å; Y784-L788 HydrophobicContact CE1-CD2 3.96Å; Y784-L788 HydrophobicContact CE1-CG 3.8Å; Y784-L788 HydrophobicContact CE2-CD2 4.47Å; Y784-L788 WeakPolarHBondContact O-CG 3.42Å; Y784-L788 PolarHBondContact O-N 3.31Å; Y784-Y815 PolarHBondContact OH-OH 3.3Å |
| 785 | D | 95.5 | Very high | 94.7 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.8 | -74.8 | -18.8 | 0 | 0 | 0 | 111.4 | K781 I782 N789 | K781-D785 PolarHBondContact O-N 3.42Å; I782-D785 PolarHBondContact O-N 3.1Å; D785-N789 PolarHBondContact O-ND2 3.41Å |
| 786 | F | 97.7 | Very high | 94.1 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 22% | 0.219 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 172.3 | -169.5 | -87.3 | 0 | 0 | 0 | 111.6 | N716 A717 P718 L721 I782 N783 Y784 L788 N789 L790 | N716-F786 HydrophobicContact CB-CE2 4.37Å; N716-F786 WeakPolarHBondContact O-CE2 3.47Å; A717-F786 VanDerWaalsContact CA-CZ 3.43Å; A717-F786 HydrophobicContact CB-CD1 4.26Å; A717-F786 HydrophobicContact CB-CE1 3.67Å; A717-F786 HydrophobicContact CB-CZ 3.92Å; P718-F786 HydrophobicContact CG-CB 4.19Å; P718-F786 HydrophobicContact CG-CG 4.4Å; L721-F786 HydrophobicContact CD2-CB 4.32Å; L721-F786 HydrophobicContact CD2-CD1 3.35Å; L721-F786 HydrophobicContact CD2-CE1 4.02Å; L721-F786 HydrophobicContact CD2-CG 4.17Å; I782-F786 PolarHBondContact O-N 2.99Å; I782-F786 VanDerWaalsContact O-N 3.15Å; N783-F786 PolarHBondContact O-N 2.91Å; Y784-F786 VanDerWaalsContact C-N 3.31Å; Y784-F786 PolarHBondContact O-N 3.35Å; F786-L788 VanDerWaalsContact C-N 3.3Å; F786-L788 PolarHBondContact O-N 3.26Å; F786-N789 PolarHBondContact O-N 3.2Å; F786-L790 HydrophobicContact CD1-CD2 4.41Å; F786-L790 HydrophobicContact CD1-CG 4.38Å; F786-L790 HydrophobicContact CE1-CD2 3.85Å; F786-L790 HydrophobicContact CE1-CG 4.31Å; F786-L790 PolarHBondContact O-N 3.05Å |
| 787 | F | 97.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.4 | -40 | 178 | 172 | -87.7 | 0 | 0 | 0 | 113 | R705 K707 V737 Q739 N783 Y784 N789 L790 | R705-F787 HydrophobicContact CB-CE1 3.6Å; R705-F787 HydrophobicContact CB-CZ 3.49Å; R705-F787 VanDerWaalsContact CB-CZ 3.49Å; R705-F787 HydrophobicContact CG-CE1 4.44Å; K707-F787 HydrophobicContact CB-CE2 3.86Å; K707-F787 HydrophobicContact CB-CZ 4.22Å; K707-F787 HydrophobicContact CD-CD2 4.4Å; K707-F787 HydrophobicContact CD-CE1 4.25Å; K707-F787 HydrophobicContact CD-CE2 3.92Å; K707-F787 HydrophobicContact CD-CZ 3.82Å; K707-F787 HydrophobicContact CG-CE1 4.42Å; K707-F787 HydrophobicContact CG-CE2 3.72Å; K707-F787 HydrophobicContact CG-CZ 3.59Å; K707-F787 PolarHBondContact NZ-O 2.91Å; V737-F787 HydrophobicContact CB-CD2 4.43Å; V737-F787 HydrophobicContact CG1-CD2 3.89Å; V737-F787 HydrophobicContact CG1-CE2 4.36Å; Q739-F787 HydrophobicContact CB-CB 4.03Å; Q739-F787 HydrophobicContact CB-CD1 4.3Å; Q739-F787 HydrophobicContact CB-CD2 3.56Å; Q739-F787 HydrophobicContact CB-CE2 4.06Å; Q739-F787 HydrophobicContact CB-CG 3.69Å; Q739-F787 HydrophobicContact CG-CB 3.87Å; Q739-F787 HydrophobicContact CG-CD2 4.35Å; Q739-F787 HydrophobicContact CG-CG 4.04Å; N783-F787 WeakPolarHBondContact O-CB 3.42Å; N783-F787 PolarHBondContact O-N 3.2Å; Y784-F787 HydrophobicContact CD2-CD1 4.18Å; Y784-F787 AromaticContact CE2-CD1 3.88Å; Y784-F787 HydrophobicContact CE2-CD1 3.88Å; Y784-F787 HydrophobicContact CE2-CE1 4.32Å; Y784-F787 WeakPolarHBondContact O-CB 3.45Å; Y784-F787 PolarHBondContact O-N 2.89Å; Y784-F787 VanDerWaalsContact O-N 3.17Å; F787-N789 PolarHBondContact O-N 3.15Å; F787-L790 HydrophobicContact CD2-CD1 4.19Å; F787-L790 WeakPolarHBondContact O-CB 3.28Å; F787-L790 PolarHBondContact O-N 3.41Å |
| 788 | L | 95 | Very high | 93.2 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -32.5 | 177.3 | -74.1 | 179.1 | 0 | 0 | 0 | 112.4 | K707 Y784 F786 | K707-L788 PolarHBondContact NZ-O 3.08Å; Y784-L788 HydrophobicContact CD1-CD1 3.99Å; Y784-L788 HydrophobicContact CD1-CG 4.19Å; Y784-L788 HydrophobicContact CE1-CD1 3.65Å; Y784-L788 HydrophobicContact CE1-CD2 3.96Å; Y784-L788 HydrophobicContact CE1-CG 3.8Å; Y784-L788 HydrophobicContact CE2-CD2 4.47Å; Y784-L788 WeakPolarHBondContact O-CG 3.42Å; Y784-L788 PolarHBondContact O-N 3.31Å; F786-L788 VanDerWaalsContact C-N 3.3Å; F786-L788 PolarHBondContact O-N 3.26Å |
| 789 | N | 95.1 | Very high | 92.8 | Very high | 142 Ų | 142 | 65.3 Ų | 65.3 | 76% | 0.759 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -83.7 | -7.5 | 179.9 | -69.4 | -56.2 | 0 | 0 | 0 | 114.2 | D785 F786 F787 | D785-N789 PolarHBondContact O-ND2 3.41Å; F786-N789 PolarHBondContact O-N 3.2Å; F787-N789 PolarHBondContact O-N 3.15Å |
| 790 | L | 96.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -65 | 147.7 | 174.6 | -73.7 | 172.9 | 0 | 0 | 0 | 111.8 | K707 V709 A713 M714 V737 F786 F787 | K707-L790 HydrophobicContact CD-CB 3.76Å; K707-L790 PolarHBondContact NZ-O 3.47Å; V709-L790 HydrophobicContact CG1-CB 4.02Å; V709-L790 HydrophobicContact CG1-CD1 4.29Å; V709-L790 HydrophobicContact CG1-CD2 4.33Å; V709-L790 HydrophobicContact CG1-CG 4.46Å; V709-L790 HydrophobicContact CG2-CD2 4.47Å; A713-L790 HydrophobicContact CB-CD2 3.97Å; M714-L790 HydrophobicContact SD-CD1 4.14Å; M714-L790 HydrophobicContact SD-CD2 3.96Å; V737-L790 HydrophobicContact CG2-CD1 4.26Å; F786-L790 HydrophobicContact CD1-CD2 4.41Å; F786-L790 HydrophobicContact CD1-CG 4.38Å; F786-L790 HydrophobicContact CE1-CD2 3.85Å; F786-L790 HydrophobicContact CE1-CG 4.31Å; F786-L790 PolarHBondContact O-N 3.05Å; F787-L790 HydrophobicContact CD2-CD1 4.19Å; F787-L790 WeakPolarHBondContact O-CB 3.28Å; F787-L790 PolarHBondContact O-N 3.41Å |
| 791 | P | 94.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 69.4 Ų | 69.4 | 40% | 0.403 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 141.2 | -179.3 | 25.9 | -34.2 | 0 | 0 | 0 | 111.9 | V709 P710 A713 | V709-P791 HydrophobicContact CB-CG 4.32Å; V709-P791 HydrophobicContact CG1-CG 4.11Å; P710-P791 HydrophobicContact CG-CG 4.46Å; A713-P791 HydrophobicContact CB-CG 4.15Å |
| 792 | E | 93.1 | Very high | 92.2 | Very high | 81 Ų | 81 | 68.1 Ų | 68.1 | 38% | 0.379 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 146.9 | 174.6 | -58.3 | -60.2 | 159.2 | 0 | 0 | 110.8 | K707 T810 | K707-E792 WeakPolarHBondContact CE-OE1 3.4Å; K707-E792 WeakPolarHBondContact CE-OE2 3.34Å; K707-E792 IonicContact NZ-OE1 3.19Å; K707-E792 PolarHBondContact NZ-OE1 3.36Å; K707-E792 IonicContact NZ-OE2 2.74Å; E792-T810 PolarHBondContact OE2-OG1 3.33Å |
| 793 | I | 90.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 63.6 Ų | 63.6 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 134 | 175.4 | -164.1 | 162.5 | 0 | 0 | 0 | 110.2 | M731 R795 L798 L808 I809 | M731-I793 HydrophobicContact SD-CD1 3.93Å; I793-R795 PolarHBondContact O-N 2.97Å; I793-L798 HydrophobicContact CD1-CD2 3.75Å; I793-L798 HydrophobicContact CD1-CG 4.44Å; I793-L808 HydrophobicContact CD1-CD1 4.44Å; I793-L808 HydrophobicContact CG2-CB 4.13Å; I793-L808 VanDerWaalsContact CG2-O 3.29Å; I793-L808 WeakPolarHBondContact CG2-O 3.3Å; I793-I809 HydrophobicContact CG2-CG1 4.49Å |
| 794 | D | 84.9 | Confident | 91.9 | Very high | 73 Ų | 73 | 66.7 Ų | 66.7 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 117.1 | 171.8 | 178 | -5.5 | 0 | 0 | 0 | 109.4 | S796 K797 | D794-S796 PolarHBondContact O-N 3.26Å; D794-S796 WeakPolarHBondContact OD1-CB 3.31Å; D794-S796 PolarHBondContact OD1-N 3.42Å; D794-S796 PolarHBondContact OD1-OG 3.11Å; D794-S796 PolarHBondContact OD2-OG 3.33Å; D794-K797 HydrophobicContact CB-CD 3.91Å; D794-K797 HydrophobicContact CB-CG 3.96Å; D794-K797 WeakPolarHBondContact O-CB 3.22Å; D794-K797 PolarHBondContact O-N 2.93Å; D794-K797 WeakPolarHBondContact OD2-CE 3.45Å |
| 795 | R | 85.7 | Confident | 91.8 | Very high | 67 Ų | 67 | 66.7 Ų | 66.7 | 25% | 0.253 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -54.9 | -34.9 | -179.5 | -177.7 | -175.3 | 175.3 | 173.9 | 10 | 112.6 | I793 K797 L798 I801 I809 L834 | I793-R795 PolarHBondContact O-N 2.97Å; R795-K797 PolarHBondContact O-N 3.45Å; R795-L798 WeakPolarHBondContact O-CB 3.15Å; R795-L798 PolarHBondContact O-N 3.27Å; R795-L798 VanDerWaalsContact O-N 3.17Å; R795-I801 HydrophobicContact CG-CD1 3.89Å; R795-I809 HydrophobicContact CG-CD1 4.14Å; R795-L834 PolarHBondContact NH1-O 3.37Å; R795-L834 PolarHBondContact NH2-O 3.43Å |
| 796 | S | 81.9 | Confident | 91.8 | Very high | 92 Ų | 92 | 62.3 Ų | 62.3 | 64% | 0.643 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -66.1 | -18.7 | -179.4 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | D794 | D794-S796 PolarHBondContact O-N 3.26Å; D794-S796 WeakPolarHBondContact OD1-CB 3.31Å; D794-S796 PolarHBondContact OD1-N 3.42Å; D794-S796 PolarHBondContact OD1-OG 3.11Å; D794-S796 PolarHBondContact OD2-OG 3.33Å |
| 797 | K | 83.1 | Confident | 91.7 | Very high | 160 Ų | 160 | 60.1 Ų | 60.1 | 70% | 0.696 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -86 | -8.2 | 178.3 | -59.4 | -177 | -173.9 | 171.5 | 0 | 113.4 | D794 R795 E799 | D794-K797 HydrophobicContact CB-CD 3.91Å; D794-K797 HydrophobicContact CB-CG 3.96Å; D794-K797 WeakPolarHBondContact O-CB 3.22Å; D794-K797 PolarHBondContact O-N 2.93Å; D794-K797 WeakPolarHBondContact OD2-CE 3.45Å; R795-K797 PolarHBondContact O-N 3.45Å; K797-E799 PolarHBondContact O-N 3.48Å |
| 798 | L | 88.4 | Confident | 91.7 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | trans | -80.8 | 112.3 | 176.5 | -66.7 | 174 | 0 | 0 | 0 | 109.8 | M731 I793 R795 R800 I801 T805 I809 | M731-L798 HydrophobicContact SD-CD2 4.45Å; I793-L798 HydrophobicContact CD1-CD2 3.75Å; I793-L798 HydrophobicContact CD1-CG 4.44Å; R795-L798 WeakPolarHBondContact O-CB 3.15Å; R795-L798 PolarHBondContact O-N 3.27Å; R795-L798 VanDerWaalsContact O-N 3.17Å; L798-R800 PolarHBondContact O-N 3.31Å; L798-I801 HydrophobicContact CB-CG1 4.31Å; L798-I801 HydrophobicContact CD1-CG1 4.31Å; L798-T805 HydrophobicContact CD2-CG2 4.27Å; L798-I809 HydrophobicContact CD1-CD1 4.01Å; L798-I809 HydrophobicContact CD1-CG1 4.05Å | ||
| 799 | E | 85.9 | Confident | 91.7 | Very high | 166 Ų | 166 | 59 Ų | 59 | 78% | 0.776 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -57.1 | -33.7 | 177.3 | -68.8 | -174 | 167 | 0 | 0 | 112.6 | K797 | K797-E799 PolarHBondContact O-N 3.48Š|
| 800 | R | 90.6 | Very high | 91.7 | Very high | 169 Ų | 169 | 54.1 Ų | 54.1 | 64% | 0.638 | 26% | 0.262 | S | S | * | . | trans | -148.1 | 137.4 | 178.2 | 179.8 | 179.6 | 177.4 | -173.2 | -1.9 | 109.3 | L798 T805 | L798-R800 PolarHBondContact O-N 3.31Å; R800-T805 PolarHBondContact O-OG1 2.86Å | ||
| 801 | I | 92.5 | Very high | 91.7 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.138 | 26% | 0.263 | C | S | . | . | trans | -100.3 | 108 | 170.4 | -55.5 | 177 | 0 | 0 | 0 | 108.5 | R795 L798 T805 I809 L834 Q1054 | R795-I801 HydrophobicContact CG-CD1 3.89Å; L798-I801 HydrophobicContact CB-CG1 4.31Å; L798-I801 HydrophobicContact CD1-CG1 4.31Å; I801-T805 WeakPolarHBondContact CA-OG1 3.37Å; I801-I809 HydrophobicContact CD1-CD1 4.47Å; I801-L834 HydrophobicContact CG2-CD2 3.54Å; I801-Q1054 PolarHBondContact O-NE2 3.26Å | ||
| 802 | D | 94.2 | Very high | 91.9 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 15% | 0.15 | 25% | 0.246 | C | C | . | . | trans | -124.8 | -174.9 | 172.6 | 65.1 | 8.6 | 0 | 0 | 0 | 109.4 | R804 T805 S806 | D802-R804 PolarHBondContact O-N 3.32Å; D802-R804 WeakPolarHBondContact OD1-CB 3.5Å; D802-R804 PolarHBondContact OD1-N 2.99Å; D802-R804 VanDerWaalsContact OD1-N 3.13Å; D802-T805 PolarHBondContact N-OG1 2.93Å; D802-T805 PolarHBondContact O-N 3.46Å; D802-T805 PolarHBondContact O-OG1 3.18Å; D802-T805 PolarHBondContact OD1-N 2.89Å; D802-T805 PolarHBondContact OD1-OG1 3.14Å; D802-S806 VanDerWaalsContact O-CB 3.23Å; D802-S806 WeakPolarHBondContact O-CB 3.29Å; D802-S806 PolarHBondContact O-N 3.27Å; D802-S806 PolarHBondContact O-OG 3.48Å | ||
| 803 | I | 94.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | -177.5 | -165.4 | 70.4 | 0 | 0 | 0 | 112.5 | A697 S806 Q807 L1042 L1046 N1047 V1050 | A697-I803 HydrophobicContact CB-CD1 3.82Å; A697-I803 HydrophobicContact CB-CG1 3.87Å; I803-S806 PolarHBondContact O-OG 3.28Å; I803-Q807 WeakPolarHBondContact O-CG 3.32Å; I803-Q807 PolarHBondContact O-N 3.18Å; I803-Q807 PolarHBondContact O-NE2 3.01Å; I803-L1042 HydrophobicContact CD1-CD1 4.19Å; I803-L1046 HydrophobicContact CB-CB 4.03Å; I803-L1046 HydrophobicContact CD1-CB 4.39Å; I803-L1046 HydrophobicContact CD1-CD2 4.21Å; I803-L1046 HydrophobicContact CG1-CB 3.92Å; I803-L1046 HydrophobicContact CG1-CD1 4.34Å; I803-L1046 HydrophobicContact CG1-CD2 4.08Å; I803-L1046 HydrophobicContact CG1-CG 4.34Å; I803-L1046 HydrophobicContact CG2-CB 3.97Å; I803-L1046 HydrophobicContact CG2-CD1 4.31Å; I803-N1047 WeakPolarHBondContact CG2-OD1 3.43Å; I803-N1047 PolarHBondContact N-OD1 3.47Å; I803-V1050 HydrophobicContact CB-CG2 4.22Å; I803-V1050 HydrophobicContact CD1-CG2 3.97Å |
| 804 | R | 94.2 | Very high | 92.5 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 25% | 0.253 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.8 | -49.6 | -177.7 | 177.9 | -170.6 | 69.9 | 120.5 | 1.6 | 110.3 | N693 S728 D730 D802 | N693-R804 PolarHBondContact ND2-O 3.24Å; S728-R804 PolarHBondContact OG-NH1 3.4Å; D730-R804 IonicContact OD1-NH2 3.67Å; D730-R804 IonicContact OD2-NH2 3.25Å; D730-R804 PolarHBondContact OD2-NH2 2.96Å; D802-R804 PolarHBondContact O-N 3.32Å; D802-R804 WeakPolarHBondContact OD1-CB 3.5Å; D802-R804 PolarHBondContact OD1-N 2.99Å; D802-R804 VanDerWaalsContact OD1-N 3.13Å |
| 805 | T | 95.1 | Very high | 93 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.4 | -33.6 | -174.1 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | L798 R800 I801 D802 Q807 L808 | L798-T805 HydrophobicContact CD2-CG2 4.27Å; R800-T805 PolarHBondContact O-OG1 2.86Å; I801-T805 WeakPolarHBondContact CA-OG1 3.37Å; D802-T805 PolarHBondContact N-OG1 2.93Å; D802-T805 PolarHBondContact O-N 3.46Å; D802-T805 PolarHBondContact O-OG1 3.18Å; D802-T805 PolarHBondContact OD1-N 2.89Å; D802-T805 PolarHBondContact OD1-OG1 3.14Å; T805-Q807 PolarHBondContact O-N 3.41Å; T805-L808 WeakPolarHBondContact O-CB 3.09Å; T805-L808 PolarHBondContact O-N 3.25Å |
| 806 | S | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -30 | 176.5 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | D802 I803 L808 I809 L830 Q833 | D802-S806 VanDerWaalsContact O-CB 3.23Å; D802-S806 WeakPolarHBondContact O-CB 3.29Å; D802-S806 PolarHBondContact O-N 3.27Å; D802-S806 PolarHBondContact O-OG 3.48Å; I803-S806 PolarHBondContact O-OG 3.28Å; S806-L808 PolarHBondContact O-N 3.43Å; S806-I809 WeakPolarHBondContact O-CB 3.19Å; S806-I809 PolarHBondContact O-N 2.86Å; S806-L830 WeakPolarHBondContact OG-CD1 3.41Å; S806-Q833 PolarHBondContact O-NE2 2.76Å |
| 807 | Q | 96.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -10.5 | 176.3 | -70.5 | -17.5 | -78.5 | 0 | 0 | 114.4 | N693 V696 A697 I803 T805 | N693-Q807 HydrophobicContact CB-CB 3.54Å; N693-Q807 HydrophobicContact CB-CG 3.78Å; V696-Q807 HydrophobicContact CB-CB 4.06Å; V696-Q807 HydrophobicContact CB-CG 4.03Å; V696-Q807 HydrophobicContact CG1-CB 3.78Å; V696-Q807 HydrophobicContact CG1-CG 3.98Å; A697-Q807 HydrophobicContact CB-CG 3.88Å; I803-Q807 WeakPolarHBondContact O-CG 3.32Å; I803-Q807 PolarHBondContact O-N 3.18Å; I803-Q807 PolarHBondContact O-NE2 3.01Å; T805-Q807 PolarHBondContact O-N 3.41Å |
| 808 | L | 96.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -13.3 | 172.7 | -57.7 | 177.5 | 0 | 0 | 0 | 112.3 | N693 A706 V708 M731 Y736 I793 T805 S806 | N693-L808 WeakPolarHBondContact ND2-CD2 3.32Å; A706-L808 HydrophobicContact CB-CD2 4.04Å; V708-L808 HydrophobicContact CB-CD1 4.34Å; V708-L808 HydrophobicContact CG2-CD1 3.72Å; V708-L808 HydrophobicContact CG2-CD2 3.88Å; V708-L808 HydrophobicContact CG2-CG 4.44Å; M731-L808 HydrophobicContact CE-CD1 3.98Å; M731-L808 HydrophobicContact SD-CD1 4.12Å; Y736-L808 HydrophobicContact CE2-CD2 4.47Å; I793-L808 HydrophobicContact CD1-CD1 4.44Å; I793-L808 HydrophobicContact CG2-CB 4.13Å; I793-L808 VanDerWaalsContact CG2-O 3.29Å; I793-L808 WeakPolarHBondContact CG2-O 3.3Å; T805-L808 WeakPolarHBondContact O-CB 3.09Å; T805-L808 PolarHBondContact O-N 3.25Å; S806-L808 PolarHBondContact O-N 3.43Å |
| 809 | I | 95.7 | Very high | 94.5 | Very high | 23 Ų | 23 | 28.5 Ų | 28.5 | 12% | 0.118 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -83.4 | 137.7 | 176.4 | -55.2 | 172.1 | 0 | 0 | 0 | 108.4 | I793 R795 L798 I801 S806 Q833 | I793-I809 HydrophobicContact CG2-CG1 4.49Å; R795-I809 HydrophobicContact CG-CD1 4.14Å; L798-I809 HydrophobicContact CD1-CD1 4.01Å; L798-I809 HydrophobicContact CD1-CG1 4.05Å; I801-I809 HydrophobicContact CD1-CD1 4.47Å; S806-I809 WeakPolarHBondContact O-CB 3.19Å; S806-I809 PolarHBondContact O-N 2.86Å; I809-Q833 HydrophobicContact CB-CB 4.33Å; I809-Q833 HydrophobicContact CG2-CB 4.47Å; I809-Q833 WeakPolarHBondContact CG2-O 3.25Å; I809-Q833 PolarHBondContact O-NE2 3.01Å |
| 810 | T | 95.1 | Very high | 94.8 | Very high | 40 Ų | 40 | 23 Ų | 23 | 25% | 0.245 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 124.4 | 178.8 | -38.1 | 0 | 0 | 0 | 0 | 110.9 | E792 | E792-T810 PolarHBondContact OE2-OG1 3.33Š|
| 811 | P | 97.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 14.9 Ų | 14.9 | 6% | 0.058 | 8% | 0.082 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 131.2 | 172.3 | 29.2 | -32.5 | 0 | 0 | 0 | 110.1 | F813 K829 Q833 | P811-F813 VanDerWaalsContact C-N 3.31Å; P811-K829 HydrophobicContact CB-CD 4.42Å; P811-K829 HydrophobicContact CB-CG 3.82Å; P811-Q833 HydrophobicContact CB-CG 4.12Å |
| 812 | L | 98.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 14.3 Ų | 14.3 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -98.4 | 20.1 | 174.4 | -51.1 | -175.5 | 0 | 0 | 0 | 112.6 | T832 Y860 T861 D863 P869 | L812-T832 PolarHBondContact N-OG1 3.47Å; L812-Y860 WeakPolarHBondContact O-CA 3.18Å; L812-T861 HydrophobicContact CB-CG2 4.34Å; L812-T861 HydrophobicContact CD2-CG2 4.26Å; L812-T861 PolarHBondContact O-N 2.99Å; L812-D863 HydrophobicContact CD2-CB 4.39Å; L812-P869 HydrophobicContact CB-CG 4.31Å |
| 813 | F | 98.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | B | Isolated β-bridge | trans | -136.8 | 111.3 | 170.8 | -177.3 | -90.5 | 0 | 0 | 0 | 108.1 | S702 P811 T825 I828 T832 Y851 P859 Y860 | S702-F813 PolarHBondContact OG-O 2.75Å; P811-F813 VanDerWaalsContact C-N 3.31Å; F813-T825 HydrophobicContact CE1-CG2 3.7Å; F813-T825 HydrophobicContact CZ-CG2 4.01Å; F813-I828 HydrophobicContact CB-CG2 4.26Å; F813-I828 HydrophobicContact CD1-CG2 4.32Å; F813-I828 HydrophobicContact CD2-CG2 3.73Å; F813-I828 HydrophobicContact CE2-CG2 4.07Å; F813-I828 HydrophobicContact CG-CG2 3.84Å; F813-T832 HydrophobicContact CB-CG2 3.97Å; F813-Y851 HydrophobicContact CE2-CD2 4.39Å; F813-Y851 HydrophobicContact CE2-CE2 4.44Å; F813-Y851 AromaticContact CZ-CD2 3.7Å; F813-Y851 HydrophobicContact CZ-CD2 3.7Å; F813-Y851 AromaticContact CZ-CE2 3.79Å; F813-Y851 HydrophobicContact CZ-CE2 3.79Å; F813-P859 WeakPolarHBondContact CA-O 3.32Å; F813-P859 HydrophobicContact CD2-CB 4.02Å; F813-P859 HydrophobicContact CD2-CG 3.86Å; F813-P859 HydrophobicContact CE2-CB 3.84Å; F813-P859 HydrophobicContact CE2-CG 3.33Å; F813-P859 HydrophobicContact CZ-CB 4.14Å; F813-P859 HydrophobicContact CZ-CG 3.84Å; F813-Y860 AromaticContact CD2-CD1 3.74Å; F813-Y860 HydrophobicContact CD2-CD1 3.74Å; F813-Y860 HydrophobicContact CD2-CD2 4.25Å; F813-Y860 AromaticContact CD2-CE1 3.49Å; F813-Y860 HydrophobicContact CD2-CE1 3.49Å; F813-Y860 VanDerWaalsContact CD2-CE1 3.49Å; F813-Y860 HydrophobicContact CD2-CE2 4.01Å; F813-Y860 HydrophobicContact CD2-CG 4.12Å; F813-Y860 AromaticContact CD2-CZ 3.64Å; F813-Y860 HydrophobicContact CE2-CD2 4.38Å; F813-Y860 HydrophobicContact CE2-CE1 4.08Å; F813-Y860 AromaticContact CE2-CE2 3.87Å; F813-Y860 HydrophobicContact CE2-CE2 3.87Å; F813-Y860 AromaticContact CE2-CZ 3.72Å; F813-Y860 HydrophobicContact CG-CE1 4.48Å |
| 814 | E | 97.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 13.4 Ų | 13.4 | 4% | 0.042 | 8% | 0.077 | C | C | . | . | trans | -141.4 | 141.4 | -170 | 58.1 | -179 | -162.9 | 0 | 0 | 113.8 | T670 R705 S816 P859 T861 | T670-E814 PolarHBondContact OG1-O 3.28Å; R705-E814 IonicContact CZ-OE2 2.93Å; R705-E814 IonicContact NH1-OE2 3.07Å; R705-E814 PolarHBondContact NH1-OE2 3.22Å; R705-E814 IonicContact NH2-OE2 3.82Å; R705-E814 PolarHBondContact NH2-OE2 2.89Å; E814-S816 VanDerWaalsContact C-N 3.28Å; E814-S816 PolarHBondContact O-N 3.13Å; E814-P859 PolarHBondContact N-O 2.78Å; E814-P859 WeakPolarHBondContact O-CA 3.26Å; E814-P859 WeakPolarHBondContact O-CB 3.07Å; E814-T861 HydrophobicContact CG-CG2 4.05Å | ||
| 815 | Y | 95.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 10.2 Ų | 10.2 | 4% | 0.039 | 7% | 0.065 | C | C | . | . | S | Bend | trans | 55.5 | 36.7 | 170.1 | -30.7 | -56 | 0 | 0 | 0 | 114.9 | T670 R671 H701 R705 A741 D744 Y784 | T670-Y815 WeakPolarHBondContact CG2-O 3.19Å; R671-Y815 HydrophobicContact CB-CD2 4.13Å; R671-Y815 HydrophobicContact CB-CE2 3.88Å; H701-Y815 WeakPolarHBondContact O-CD1 3.41Å; H701-Y815 PolarHBondContact O-N 3.31Å; R705-Y815 PolarHBondContact NH2-OH 2.86Å; A741-Y815 HydrophobicContact CB-CE1 4.18Å; D744-Y815 HydrophobicContact CB-CD1 3.27Å; D744-Y815 HydrophobicContact CB-CE1 3.66Å; D744-Y815 HydrophobicContact CB-CG 3.78Å; Y784-Y815 PolarHBondContact OH-OH 3.3Å |
| 816 | S | 94.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.007 | 7% | 0.066 | C | C | . | . | trans | -59.6 | 161.2 | -179 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | H701 E814 A818 | H701-S816 PolarHBondContact CD2-O 3.08Å; H701-S816 VanDerWaalsContact CD2-O 3.24Å; E814-S816 VanDerWaalsContact C-N 3.28Å; E814-S816 PolarHBondContact O-N 3.13Å; S816-A818 PolarHBondContact O-N 3.17Å; S816-A818 VanDerWaalsContact O-N 3.08Å; S816-A818 WeakPolarHBondContact OG-CB 3.45Å; S816-A818 PolarHBondContact OG-N 2.82Å | ||
| 817 | G | 91.3 | Very high | 96 | Very high | 11 Ų | 11 | 10.4 Ų | 10.4 | 11% | 0.113 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -73.9 | 15.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K459 | K459-G817 PolarHBondContact N-O 2.78Š|
| 818 | A | 93.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 2% | 0.017 | 7% | 0.066 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 160.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H701 S816 C822 T825 Y851 | H701-A818 PolarHBondContact NE2-O 3.17Å; S816-A818 PolarHBondContact O-N 3.17Å; S816-A818 VanDerWaalsContact O-N 3.08Å; S816-A818 WeakPolarHBondContact OG-CB 3.45Å; S816-A818 PolarHBondContact OG-N 2.82Å; A818-C822 HydrophobicContact CB-CB 3.85Å; A818-T825 HydrophobicContact CB-CG2 3.71Å; A818-Y851 HydrophobicContact CB-CD1 3.71Å; A818-Y851 HydrophobicContact CB-CE1 4.4Å; A818-Y851 HydrophobicContact CB-CG 3.83Å |
| 819 | C | 91.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 10.1 Ų | 10.1 | 6% | 0.061 | 7% | 0.065 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 153.4 | 178.9 | -48.3 | 0 | 0 | 0 | 0 | 112.3 | A460 H701 G821 C822 E1072 | A460-C819 HydrophobicContact CB-CB 4.28Å; H701-C819 PolarHBondContact CE1-O 3.46Å; H701-C819 VanDerWaalsContact CE1-O 3.28Å; C819-G821 PolarHBondContact O-N 3.36Å; C819-C822 VanDerWaalsContact O-CB 3.27Å; C819-C822 WeakPolarHBondContact O-CB 3.45Å; C819-C822 PolarHBondContact O-N 3.13Å; C819-E1072 PolarHBondContact SG-OE1 2.92Å |
| 820 | S | 91 | Very high | 96.3 | Very high | 50 Ų | 50 | 9.1 Ų | 9.1 | 35% | 0.35 | 6% | 0.06 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 120.4 | 174.2 | -157.9 | 0 | 0 | 0 | 0 | 109.5 | T746 C748 | T746-S820 WeakPolarHBondContact CB-OG 3.35Å; T746-S820 PolarHBondContact O-OG 2.96Å; T746-S820 PolarHBondContact OG1-OG 3.02Å; C748-S820 WeakPolarHBondContact CA-OG 3.29Å; C748-S820 WeakPolarHBondContact CB-OG 3.22Å; C748-S820 PolarHBondContact N-OG 3.16Å |
| 821 | G | 93.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 14.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C819 G823 L1078 | C819-G821 PolarHBondContact O-N 3.36Å; G821-G823 PolarHBondContact O-N 3.12Å; G821-L1078 WeakPolarHBondContact O-CD1 3.47Å |
| 822 | C | 96.6 | Very high | 96.5 | Very high | 14 Ų | 14 | 7 Ų | 7 | 10% | 0.095 | 5% | 0.047 | C | C | . | . | trans | -51.9 | 126 | -177.7 | 178.9 | 0 | 0 | 0 | 0 | 113.5 | P700 A818 C819 E824 T825 P826 | P700-C822 HydrophobicContact CB-CB 4.38Å; P700-C822 WeakPolarHBondContact CB-O 3.38Å; A818-C822 HydrophobicContact CB-CB 3.85Å; C819-C822 VanDerWaalsContact O-CB 3.27Å; C819-C822 WeakPolarHBondContact O-CB 3.45Å; C819-C822 PolarHBondContact O-N 3.13Å; C822-E824 PolarHBondContact O-N 2.86Å; C822-T825 PolarHBondContact O-OG1 2.81Å; C822-P826 VanDerWaalsContact O-CD 3.28Å; C822-P826 WeakPolarHBondContact O-CD 3.14Å | ||
| 823 | G | 97.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 7 Ų | 7 | 8% | 0.082 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -77.6 | -10.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116 | G821 Y827 P1070 | G821-G823 PolarHBondContact O-N 3.12Å; G823-Y827 WeakPolarHBondContact O-CD2 3.49Å; G823-Y827 VanDerWaalsContact O-CE2 3.24Å; G823-Y827 WeakPolarHBondContact O-CE2 3.39Å; G823-P1070 VanDerWaalsContact CA-O 3.3Å; G823-P1070 WeakPolarHBondContact CA-O 3.46Å; G823-P1070 PolarHBondContact N-O 3.47Å |
| 824 | E | 98.6 | Very high | 96.3 | Very high | 8 Ų | 8 | 7 Ų | 7 | 4% | 0.037 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -83.3 | -49.7 | -178.7 | -62.2 | -175.8 | -164.8 | 0 | 0 | 112.1 | C822 P826 Y827 C847 Y851 L989 T991 | C822-E824 PolarHBondContact O-N 2.86Å; E824-P826 VanDerWaalsContact C-CD 3.41Å; E824-Y827 WeakPolarHBondContact O-CB 3.42Å; E824-Y827 PolarHBondContact O-N 2.88Å; E824-Y827 VanDerWaalsContact O-N 3.12Å; E824-C847 WeakPolarHBondContact OE1-CB 3.48Å; E824-C847 WeakPolarHBondContact OE2-CB 3.5Å; E824-Y851 HydrophobicContact CB-CE1 4.32Å; E824-Y851 VanDerWaalsContact CB-OH 3.25Å; E824-Y851 WeakPolarHBondContact CB-OH 3.13Å; E824-Y851 WeakPolarHBondContact OE2-CE1 3.41Å; E824-Y851 VanDerWaalsContact OE2-CZ 3.25Å; E824-Y851 PolarHBondContact OE2-OH 3.04Å; E824-L989 HydrophobicContact CB-CB 4.47Å; E824-L989 HydrophobicContact CB-CD1 4.11Å; E824-L989 HydrophobicContact CB-CD2 4.25Å; E824-L989 HydrophobicContact CG-CB 4.06Å; E824-L989 HydrophobicContact CG-CD1 4.41Å; E824-T991 HydrophobicContact CG-CG2 4.05Å; E824-T991 VanDerWaalsContact OE1-CG2 3.29Å; E824-T991 WeakPolarHBondContact OE1-CG2 3.41Å |
| 825 | T | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.8 | -31.9 | -170.5 | 52.1 | 0 | 0 | 0 | 0 | 116.3 | P700 F813 A818 C822 Y827 I828 K829 Y851 | P700-T825 VanDerWaalsContact CA-OG1 3.29Å; P700-T825 WeakPolarHBondContact CA-OG1 3.4Å; P700-T825 WeakPolarHBondContact CB-OG1 3.33Å; P700-T825 VanDerWaalsContact O-CB 3.25Å; P700-T825 WeakPolarHBondContact O-CB 3.25Å; P700-T825 PolarHBondContact O-OG1 2.74Å; F813-T825 HydrophobicContact CE1-CG2 3.7Å; F813-T825 HydrophobicContact CZ-CG2 4.01Å; A818-T825 HydrophobicContact CB-CG2 3.71Å; C822-T825 PolarHBondContact O-OG1 2.81Å; T825-Y827 PolarHBondContact O-N 3.13Å; T825-I828 PolarHBondContact O-N 3.1Å; T825-K829 WeakPolarHBondContact O-CB 3.36Å; T825-K829 PolarHBondContact O-N 2.79Å; T825-Y851 HydrophobicContact CG2-CD1 4.47Å; T825-Y851 HydrophobicContact CG2-CD2 3.99Å; T825-Y851 HydrophobicContact CG2-CE1 4.17Å; T825-Y851 HydrophobicContact CG2-CE2 3.68Å; T825-Y851 HydrophobicContact CG2-CG 4.39Å |
| 826 | P | 98.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 6.6 Ų | 6.6 | 3% | 0.032 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -59.5 | -32.7 | 174.7 | -26.9 | 37.4 | 0 | 0 | 0 | 113.6 | P700 C822 E824 L830 L1042 | P700-P826 HydrophobicContact CB-CG 4.34Å; C822-P826 VanDerWaalsContact O-CD 3.28Å; C822-P826 WeakPolarHBondContact O-CD 3.14Å; E824-P826 VanDerWaalsContact C-CD 3.41Å; P826-L830 WeakPolarHBondContact O-CB 3.29Å; P826-L830 PolarHBondContact O-N 3.01Å; P826-L1042 HydrophobicContact CB-CD2 3.51Å |
| 827 | Y | 98.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 7.9 Ų | 7.9 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69.6 | -45.9 | 176.6 | -62.8 | -74.9 | 0 | 0 | 0 | 111.6 | G823 E824 T825 L830 L831 L989 I1040 S1041 L1042 T1049 A1067 Y1068 M1085 | G823-Y827 WeakPolarHBondContact O-CD2 3.49Å; G823-Y827 VanDerWaalsContact O-CE2 3.24Å; G823-Y827 WeakPolarHBondContact O-CE2 3.39Å; E824-Y827 WeakPolarHBondContact O-CB 3.42Å; E824-Y827 PolarHBondContact O-N 2.88Å; E824-Y827 VanDerWaalsContact O-N 3.12Å; T825-Y827 PolarHBondContact O-N 3.13Å; Y827-L830 PolarHBondContact O-N 2.9Å; Y827-L831 VanDerWaalsContact O-CB 3.27Å; Y827-L831 WeakPolarHBondContact O-CB 3.4Å; Y827-L831 PolarHBondContact O-N 3.26Å; Y827-L989 HydrophobicContact CD2-CD2 4.16Å; Y827-I1040 HydrophobicContact CD1-CD1 3.8Å; Y827-I1040 HydrophobicContact CE1-CD1 3.7Å; Y827-I1040 HydrophobicContact CE1-CG1 4.12Å; Y827-S1041 WeakPolarHBondContact OH-CA 3.33Å; Y827-L1042 HydrophobicContact CD1-CB 4.36Å; Y827-L1042 HydrophobicContact CE1-CB 3.57Å; Y827-L1042 PolarHBondContact OH-N 2.86Å; Y827-T1049 HydrophobicContact CD1-CG2 4.19Å; Y827-T1049 HydrophobicContact CE1-CG2 4.1Å; Y827-A1067 HydrophobicContact CD1-CB 4.05Å; Y827-A1067 HydrophobicContact CD2-CB 4.06Å; Y827-A1067 HydrophobicContact CE1-CB 3.89Å; Y827-A1067 HydrophobicContact CE2-CB 3.91Å; Y827-A1067 HydrophobicContact CG-CB 4.12Å; Y827-Y1068 WeakPolarHBondContact CE2-O 3.36Å; Y827-Y1068 PolarHBondContact OH-O 3.09Å; Y827-M1085 WeakPolarHBondContact OH-CE 3.22Å |
| 828 | I | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.9 | -61.1 | 174.1 | 0 | 0 | 0 | 110 | F813 T825 L830 L831 T832 Y851 Y860 I960 L989 | F813-I828 HydrophobicContact CB-CG2 4.26Å; F813-I828 HydrophobicContact CD1-CG2 4.32Å; F813-I828 HydrophobicContact CD2-CG2 3.73Å; F813-I828 HydrophobicContact CE2-CG2 4.07Å; F813-I828 HydrophobicContact CG-CG2 3.84Å; T825-I828 PolarHBondContact O-N 3.1Å; I828-L830 PolarHBondContact O-N 3.08Å; I828-L831 WeakPolarHBondContact O-CB 3Å; I828-L831 PolarHBondContact O-N 2.85Å; I828-L831 VanDerWaalsContact O-N 3.16Å; I828-T832 HydrophobicContact CG2-CG2 4.47Å; I828-T832 WeakPolarHBondContact O-CG2 3.19Å; I828-T832 PolarHBondContact O-N 3.48Å; I828-Y851 HydrophobicContact CD1-CE2 3.8Å; I828-Y851 WeakPolarHBondContact CD1-OH 3.4Å; I828-Y860 HydrophobicContact CG2-CE1 3.91Å; I828-I960 HydrophobicContact CD1-CG2 4.42Å; I828-I960 HydrophobicContact CG1-CD1 4.49Å; I828-L989 HydrophobicContact CD1-CD1 4.09Å; I828-L989 HydrophobicContact CG1-CD1 4.45Å |
| 829 | K | 98.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 8.4 Ų | 8.4 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -54.6 | -53.3 | 175.2 | -177.7 | -174 | 72.3 | 76.3 | 0 | 111.3 | V696 C699 S702 P811 T825 L831 T832 Q833 | V696-K829 WeakPolarHBondContact O-CE 3.25Å; V696-K829 PolarHBondContact O-NZ 3.18Å; C699-K829 WeakPolarHBondContact O-CE 3.09Å; S702-K829 WeakPolarHBondContact OG-CD 3.36Å; S702-K829 WeakPolarHBondContact OG-CG 3.42Å; P811-K829 HydrophobicContact CB-CD 4.42Å; P811-K829 HydrophobicContact CB-CG 3.82Å; T825-K829 WeakPolarHBondContact O-CB 3.36Å; T825-K829 PolarHBondContact O-N 2.79Å; K829-L831 VanDerWaalsContact C-N 3.28Å; K829-L831 PolarHBondContact O-N 2.91Å; K829-T832 PolarHBondContact O-N 3.27Å; K829-T832 PolarHBondContact O-OG1 3.04Å; K829-Q833 WeakPolarHBondContact O-CG 3.04Å; K829-Q833 PolarHBondContact O-N 3.38Å |
| 830 | L | 98.2 | Very high | 97 | Very high | 3 Ų | 3 | 9.9 Ų | 9.9 | 2% | 0.016 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | 177.3 | 176.2 | 61.5 | 0 | 0 | 0 | 111.5 | S806 P826 Y827 I828 T832 Q833 L834 L1042 T1049 V1050 I1053 | S806-L830 WeakPolarHBondContact OG-CD1 3.41Å; P826-L830 WeakPolarHBondContact O-CB 3.29Å; P826-L830 PolarHBondContact O-N 3.01Å; Y827-L830 PolarHBondContact O-N 2.9Å; I828-L830 PolarHBondContact O-N 3.08Å; L830-T832 VanDerWaalsContact C-N 3.33Å; L830-T832 PolarHBondContact O-N 3.32Å; L830-Q833 PolarHBondContact O-N 3.17Å; L830-L834 HydrophobicContact CD1-CD1 4.25Å; L830-L834 HydrophobicContact CD1-CG 4.35Å; L830-L834 HydrophobicContact CG-CD1 4.22Å; L830-L834 WeakPolarHBondContact O-CG 3.46Å; L830-L834 PolarHBondContact O-N 2.89Å; L830-L834 VanDerWaalsContact O-N 3.1Å; L830-L1042 HydrophobicContact CD2-CD1 4.38Å; L830-T1049 HydrophobicContact CD2-CG2 3.93Å; L830-V1050 HydrophobicContact CD1-CG2 4.26Å; L830-V1050 HydrophobicContact CD2-CG2 4.02Å; L830-I1053 HydrophobicContact CD2-CD1 3.85Å; L830-I1053 HydrophobicContact CG-CD1 4.32Å |
| 831 | L | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 178.5 | 178.3 | 61.8 | 0 | 0 | 0 | 111.5 | Y827 I828 K829 Q833 L834 Y835 M839 W958 I960 L987 I1053 | Y827-L831 VanDerWaalsContact O-CB 3.27Å; Y827-L831 WeakPolarHBondContact O-CB 3.4Å; Y827-L831 PolarHBondContact O-N 3.26Å; I828-L831 WeakPolarHBondContact O-CB 3Å; I828-L831 PolarHBondContact O-N 2.85Å; I828-L831 VanDerWaalsContact O-N 3.16Å; K829-L831 VanDerWaalsContact C-N 3.28Å; K829-L831 PolarHBondContact O-N 2.91Å; L831-Q833 PolarHBondContact O-N 2.86Å; L831-L834 PolarHBondContact O-N 3.13Å; L831-L834 VanDerWaalsContact O-N 3.15Å; L831-Y835 HydrophobicContact CD1-CD2 3.91Å; L831-Y835 HydrophobicContact CD1-CE2 4.47Å; L831-Y835 PolarHBondContact O-N 3.18Å; L831-M839 HydrophobicContact CD1-CE 3.83Å; L831-M839 HydrophobicContact CD2-CE 4.17Å; L831-M839 HydrophobicContact CD2-SD 4.05Å; L831-M839 HydrophobicContact CG-CE 3.5Å; L831-M839 VanDerWaalsContact CG-CE 3.5Å; L831-M839 HydrophobicContact CG-SD 4.02Å; L831-M839 WeakPolarHBondContact O-CE 3.36Å; L831-W958 HydrophobicContact CD1-CD2 3.69Å; L831-W958 HydrophobicContact CD1-CE3 4.02Å; L831-W958 HydrophobicContact CD1-CG 4.39Å; L831-W958 HydrophobicContact CD1-CH2 3.67Å; L831-W958 HydrophobicContact CD1-CZ2 3.31Å; L831-W958 HydrophobicContact CD1-CZ3 4Å; L831-W958 HydrophobicContact CD2-CB 4.37Å; L831-W958 HydrophobicContact CD2-CD2 3.58Å; L831-W958 HydrophobicContact CD2-CE3 3.61Å; L831-W958 HydrophobicContact CD2-CG 3.9Å; L831-W958 HydrophobicContact CD2-CZ3 4.17Å; L831-W958 HydrophobicContact CG-CD2 4.21Å; L831-W958 HydrophobicContact CG-CE3 4.47Å; L831-I960 HydrophobicContact CD2-CD1 4.07Å; L831-L987 HydrophobicContact CD2-CD2 4.25Å; L831-I1053 HydrophobicContact CD1-CG2 4.08Å |
| 832 | T | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 7.5 Ų | 7.5 | 3% | 0.025 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -67 | -33.2 | 176.1 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | L812 F813 I828 K829 L830 L834 G836 P869 | L812-T832 PolarHBondContact N-OG1 3.47Å; F813-T832 HydrophobicContact CB-CG2 3.97Å; I828-T832 HydrophobicContact CG2-CG2 4.47Å; I828-T832 WeakPolarHBondContact O-CG2 3.19Å; I828-T832 PolarHBondContact O-N 3.48Å; K829-T832 PolarHBondContact O-N 3.27Å; K829-T832 PolarHBondContact O-OG1 3.04Å; L830-T832 VanDerWaalsContact C-N 3.33Å; L830-T832 PolarHBondContact O-N 3.32Å; T832-L834 PolarHBondContact O-N 3.2Å; T832-G836 VanDerWaalsContact O-CA 3.22Å; T832-G836 WeakPolarHBondContact O-CA 3.43Å; T832-G836 PolarHBondContact O-N 3.16Å; T832-P869 HydrophobicContact CG2-CG 3.85Å |
| 833 | Q | 96.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 6.9 Ų | 6.9 | 2% | 0.023 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -66.6 | -27.2 | 173.6 | -68.6 | 173.8 | -66 | 0 | 0 | 111.7 | S806 I809 P811 K829 L830 L831 | S806-Q833 PolarHBondContact O-NE2 2.76Å; I809-Q833 HydrophobicContact CB-CB 4.33Å; I809-Q833 HydrophobicContact CG2-CB 4.47Å; I809-Q833 WeakPolarHBondContact CG2-O 3.25Å; I809-Q833 PolarHBondContact O-NE2 3.01Å; P811-Q833 HydrophobicContact CB-CG 4.12Å; K829-Q833 WeakPolarHBondContact O-CG 3.04Å; K829-Q833 PolarHBondContact O-N 3.38Å; L830-Q833 PolarHBondContact O-N 3.17Å; L831-Q833 PolarHBondContact O-N 2.86Å |
| 834 | L | 95.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 6.5 Ų | 6.5 | 1% | 0.005 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -88.4 | -37.5 | 179.2 | -65.5 | 175.8 | 0 | 0 | 0 | 113.3 | R795 I801 L830 L831 T832 I1053 | R795-L834 PolarHBondContact NH1-O 3.37Å; R795-L834 PolarHBondContact NH2-O 3.43Å; I801-L834 HydrophobicContact CG2-CD2 3.54Å; L830-L834 HydrophobicContact CD1-CD1 4.25Å; L830-L834 HydrophobicContact CD1-CG 4.35Å; L830-L834 HydrophobicContact CG-CD1 4.22Å; L830-L834 WeakPolarHBondContact O-CG 3.46Å; L830-L834 PolarHBondContact O-N 2.89Å; L830-L834 VanDerWaalsContact O-N 3.1Å; L831-L834 PolarHBondContact O-N 3.13Å; L831-L834 VanDerWaalsContact O-N 3.15Å; T832-L834 PolarHBondContact O-N 3.2Å; L834-I1053 HydrophobicContact CD1-CB 4.3Å; L834-I1053 HydrophobicContact CD1-CG2 3.66Å |
| 835 | Y | 96.7 | Very high | 97.8 | Very high | 10 Ų | 10 | 7.2 Ų | 7.2 | 4% | 0.039 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -142.4 | 10.4 | -172.3 | -49.2 | -65.5 | 0 | 0 | 0 | 114.8 | L831 D837 R838 M839 W958 I1053 Q1054 E1057 | L831-Y835 HydrophobicContact CD1-CD2 3.91Å; L831-Y835 HydrophobicContact CD1-CE2 4.47Å; L831-Y835 PolarHBondContact O-N 3.18Å; Y835-D837 PolarHBondContact O-N 3.45Å; Y835-D837 VanDerWaalsContact O-N 3.13Å; Y835-R838 PolarHBondContact O-N 2.88Å; Y835-R838 VanDerWaalsContact O-N 3.13Å; Y835-M839 PolarHBondContact O-N 2.62Å; Y835-W958 HydrophobicContact CD2-CZ2 4.4Å; Y835-W958 HydrophobicContact CE2-CZ2 4.44Å; Y835-I1053 HydrophobicContact CE2-CG2 3.9Å; Y835-Q1054 WeakPolarHBondContact OH-CA 3.32Å; Y835-E1057 HydrophobicContact CD1-CG 4.16Å; Y835-E1057 HydrophobicContact CD2-CB 4.38Å; Y835-E1057 HydrophobicContact CD2-CG 3.92Å; Y835-E1057 HydrophobicContact CE1-CB 4.34Å; Y835-E1057 HydrophobicContact CE1-CG 3.89Å; Y835-E1057 WeakPolarHBondContact CE1-OE2 3.32Å; Y835-E1057 HydrophobicContact CE2-CB 3.61Å; Y835-E1057 HydrophobicContact CE2-CG 3.59Å; Y835-E1057 HydrophobicContact CG-CG 4.19Å |
| 836 | G | 96.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | G | 310 helix | trans | -61.5 | -25.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T832 R838 G868 P869 | T832-G836 VanDerWaalsContact O-CA 3.22Å; T832-G836 WeakPolarHBondContact O-CA 3.43Å; T832-G836 PolarHBondContact O-N 3.16Å; G836-R838 PolarHBondContact O-N 2.56Å; G836-G868 CarbonylContact O-C 3.49Å; G836-G868 VanDerWaalsContact O-CA 3.24Å; G836-G868 WeakPolarHBondContact O-CA 3.4Å; G836-P869 WeakPolarHBondContact O-CD 3.33Å |
| 837 | D | 95.1 | Very high | 97.6 | Very high | 28 Ų | 28 | 8 Ų | 8 | 15% | 0.15 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -71.4 | -8.8 | 179.4 | 70.9 | -55.4 | 0 | 0 | 0 | 114.4 | Y835 R867 R926 | Y835-D837 PolarHBondContact O-N 3.45Å; Y835-D837 VanDerWaalsContact O-N 3.13Å; D837-R867 HydrophobicContact CB-CB 4.29Å; D837-R926 PolarHBondContact O-NH2 2.72Å; D837-R926 IonicContact OD2-CZ 2.75Å; D837-R926 IonicContact OD2-NH1 3.58Å; D837-R926 PolarHBondContact OD2-NH1 2.84Å; D837-R926 IonicContact OD2-NH2 3.67Å; D837-R926 PolarHBondContact OD2-NH2 3Å |
| 838 | R | 96.5 | Very high | 97.6 | Very high | 23 Ų | 23 | 8 Ų | 8 | 9% | 0.087 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -143.2 | 20.1 | -178.1 | 63 | -179.8 | 176.2 | 92.4 | -0.4 | 113.7 | Y835 G836 E954 K955 S956 E1057 | Y835-R838 PolarHBondContact O-N 2.88Å; Y835-R838 VanDerWaalsContact O-N 3.13Å; G836-R838 PolarHBondContact O-N 2.56Å; R838-E954 WeakPolarHBondContact CD-O 3.31Å; R838-K955 WeakPolarHBondContact O-CA 3.47Å; R838-S956 PolarHBondContact O-N 2.69Å; R838-E1057 IonicContact CZ-OE1 3.66Å; R838-E1057 IonicContact NH1-OE1 2.8Å; R838-E1057 PolarHBondContact NH1-OE1 3.35Å; R838-E1057 IonicContact NH2-OE1 3.5Å; R838-E1057 PolarHBondContact NH2-OE1 3.45Å; R838-E1057 IonicContact NH2-OE2 2.77Å; R838-E1057 PolarHBondContact NH2-OE2 2.91Å |
| 839 | M | 97.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 136.9 | -172.8 | -157.4 | 173.4 | -71.4 | 0 | 0 | 112.7 | L831 Y835 I841 P869 A870 S956 W958 | L831-M839 HydrophobicContact CD1-CE 3.83Å; L831-M839 HydrophobicContact CD2-CE 4.17Å; L831-M839 HydrophobicContact CD2-SD 4.05Å; L831-M839 HydrophobicContact CG-CE 3.5Å; L831-M839 VanDerWaalsContact CG-CE 3.5Å; L831-M839 HydrophobicContact CG-SD 4.02Å; L831-M839 WeakPolarHBondContact O-CE 3.36Å; Y835-M839 PolarHBondContact O-N 2.62Å; M839-I841 HydrophobicContact CG-CD1 4.35Å; M839-I841 HydrophobicContact CG-CG1 3.78Å; M839-I841 HydrophobicContact SD-CD1 3.72Å; M839-I841 HydrophobicContact SD-CG1 3.72Å; M839-P869 HydrophobicContact CB-CB 4.11Å; M839-A870 PolarHBondContact O-N 3.37Å; M839-S956 CarbonylContact C-O 3.6Å; M839-S956 VanDerWaalsContact CA-O 3.3Å; M839-S956 WeakPolarHBondContact CA-O 3.1Å; M839-W958 HydrophobicContact CG-CB 4.45Å; M839-W958 HydrophobicContact CG-CG 4.35Å; M839-W958 HydrophobicContact SD-CB 4.49Å; M839-W958 HydrophobicContact SD-CG 4.31Å |
| 840 | L | 98.5 | Very high | 97.4 | Very high | 40 Ų | 40 | 9.3 Ų | 9.3 | 21% | 0.209 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122 | 163.3 | -57.1 | -179.4 | 0 | 0 | 0 | 108 | A870 F886 V890 K955 S956 I957 W958 | L840-A870 CarbonylContact C-O 3.6Å; L840-A870 HydrophobicContact CD2-CB 3.75Å; L840-F886 HydrophobicContact CB-CD2 4.11Å; L840-F886 HydrophobicContact CD1-CB 4.35Å; L840-V890 HydrophobicContact CD1-CG2 3.83Å; L840-K955 HydrophobicContact CD1-CB 4.33Å; L840-K955 HydrophobicContact CG-CB 4.48Å; L840-S956 PolarHBondContact N-O 2.74Å; L840-I957 HydrophobicContact CB-CG1 4.27Å; L840-I957 HydrophobicContact CD1-CG1 4.2Å; L840-W958 PolarHBondContact O-N 2.99Å |
| 841 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.4 | -176.5 | -58 | 176.9 | 0 | 0 | 0 | 110 | M839 N843 Y860 P869 A870 W871 A872 W958 I960 | M839-I841 HydrophobicContact CG-CD1 4.35Å; M839-I841 HydrophobicContact CG-CG1 3.78Å; M839-I841 HydrophobicContact SD-CD1 3.72Å; M839-I841 HydrophobicContact SD-CG1 3.72Å; I841-N843 HydrophobicContact CG2-CB 4.14Å; I841-Y860 HydrophobicContact CD1-CD1 4.1Å; I841-Y860 HydrophobicContact CD1-CE1 3.44Å; I841-Y860 VanDerWaalsContact CD1-CE1 3.44Å; I841-P869 HydrophobicContact CD1-CB 3.72Å; I841-P869 HydrophobicContact CG1-CB 4.34Å; I841-A870 PolarHBondContact N-O 3.22Å; I841-W871 HydrophobicContact CB-CG 4.45Å; I841-A872 PolarHBondContact O-N 3.12Å; I841-W958 CarbonylContact C-O 3.49Å; I841-W958 VanDerWaalsContact CA-O 3.32Å; I841-W958 WeakPolarHBondContact CA-O 3.44Å; I841-I960 HydrophobicContact CD1-CD1 4.24Å; I841-I960 HydrophobicContact CG1-CD1 4.45Å; I841-I960 HydrophobicContact CG2-CB 4.45Å; I841-I960 HydrophobicContact CG2-CD1 3.77Å; I841-I960 HydrophobicContact CG2-CG1 4.06Å |
| 842 | A | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | N879 F882 F886 W958 L959 I960 | A842-N879 WeakPolarHBondContact CB-OD1 3.29Å; A842-N879 PolarHBondContact O-ND2 3.42Å; A842-N879 PolarHBondContact O-OD1 3.44Å; A842-F882 HydrophobicContact CB-CD1 3.79Å; A842-F882 HydrophobicContact CB-CE1 4.37Å; A842-F886 HydrophobicContact CB-CD2 4.23Å; A842-F886 HydrophobicContact CB-CE2 3.72Å; A842-F886 HydrophobicContact CB-CZ 4.38Å; A842-W958 PolarHBondContact N-O 3.3Å; A842-L959 HydrophobicContact CB-CG 4.31Å; A842-L959 CarbonylContact O-C 3.55Å; A842-L959 VanDerWaalsContact O-CA 3.3Å; A842-L959 WeakPolarHBondContact O-CA 3.34Å; A842-I960 PolarHBondContact O-N 3.06Å |
| 843 | N | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.2 | -176.1 | -159.2 | 10.1 | 0 | 0 | 0 | 111.3 | I841 S848 S849 W871 A872 N873 N879 I960 | I841-N843 HydrophobicContact CG2-CB 4.14Å; N843-S848 PolarHBondContact ND2-O 3.38Å; N843-S848 VanDerWaalsContact OD1-CB 3.29Å; N843-S848 WeakPolarHBondContact OD1-CB 3.5Å; N843-S848 PolarHBondContact OD1-OG 3.45Å; N843-S849 PolarHBondContact ND2-N 2.96Å; N843-W871 HydrophobicContact CB-CZ2 3.67Å; N843-W871 VanDerWaalsContact CB-NE1 3.34Å; N843-W871 VanDerWaalsContact ND2-CZ2 3.32Å; N843-W871 WeakPolarHBondContact ND2-CZ2 3.49Å; N843-W871 PolarHBondContact ND2-NE1 3.19Å; N843-A872 PolarHBondContact N-O 3.05Å; N843-N873 WeakPolarHBondContact O-CA 3.37Å; N843-N873 PolarHBondContact O-ND2 3.31Å; N843-N879 WeakPolarHBondContact CA-OD1 3.31Å; N843-N879 PolarHBondContact N-OD1 3.5Å; N843-I960 CarbonylContact C-O 3.51Å; N843-I960 WeakPolarHBondContact CA-O 3.27Å; N843-I960 PolarHBondContact OD1-O 2.86Å; N843-I960 VanDerWaalsContact OD1-O 3.08Å |
| 844 | A | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -67.6 | 149.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G846 S849 N879 I960 W965 | A844-G846 PolarHBondContact O-N 3.16Å; A844-S849 WeakPolarHBondContact O-CB 3.46Å; A844-N879 HydrophobicContact CB-CB 3.6Å; A844-N879 PolarHBondContact N-ND2 3.09Å; A844-N879 PolarHBondContact N-OD1 3.1Å; A844-N879 VanDerWaalsContact N-OD1 3.17Å; A844-I960 PolarHBondContact N-O 3.01Å; A844-W965 HydrophobicContact CB-CB 3.86Å; A844-W965 HydrophobicContact CB-CD2 3.83Å; A844-W965 HydrophobicContact CB-CE3 4.32Å; A844-W965 HydrophobicContact CB-CG 3.61Å | ||
| 845 | T | 98.4 | Very high | 96.3 | Very high | 24 Ų | 24 | 14.1 Ų | 14.1 | 15% | 0.147 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -61.7 | 135.7 | 172.1 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | L117 S849 N873 L875 F876 | L117-T845 HydrophobicContact CD1-CG2 3.71Å; T845-S849 WeakPolarHBondContact CA-OG 3.47Å; T845-N873 PolarHBondContact N-ND2 3Å; T845-N873 PolarHBondContact OG1-ND2 2.95Å; T845-N873 VanDerWaalsContact OG1-ND2 3.12Å; T845-N873 PolarHBondContact OG1-OD1 2.9Å; T845-L875 PolarHBondContact N-O 2.96Å; T845-L875 PolarHBondContact OG1-O 3.37Å; T845-F876 WeakPolarHBondContact O-CD2 3.32Å; T845-F876 VanDerWaalsContact O-CE2 3.32Å; T845-F876 WeakPolarHBondContact O-CE2 3.34Å; T845-F876 PolarHBondContact OG1-N 3.35Å |
| 846 | G | 96.5 | Very high | 96.1 | Very high | 13 Ų | 13 | 14.1 Ų | 14.1 | 13% | 0.134 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 151.8 | -170.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111 | A844 S848 S849 I850 | A844-G846 PolarHBondContact O-N 3.16Å; G846-S848 PolarHBondContact O-N 3.19Å; G846-S849 PolarHBondContact N-OG 3.01Å; G846-S849 PolarHBondContact O-N 2.84Å; G846-S849 PolarHBondContact O-OG 3.46Å; G846-I850 WeakPolarHBondContact O-CG1 3.11Å; G846-I850 PolarHBondContact O-N 2.92Å |
| 847 | C | 96.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 14.5 Ų | 14.5 | 6% | 0.061 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -50.4 | -46.1 | 179.1 | -66 | 0 | 0 | 0 | 0 | 111.6 | K459 E824 S849 I850 Y851 S995 N996 | K459-C847 HydrophobicContact CD-CB 4.35Å; K459-C847 WeakPolarHBondContact CE-SG 3.22Å; K459-C847 PolarHBondContact NZ-SG 3.11Å; E824-C847 WeakPolarHBondContact OE1-CB 3.48Å; E824-C847 WeakPolarHBondContact OE2-CB 3.5Å; C847-S849 VanDerWaalsContact C-N 3.28Å; C847-S849 PolarHBondContact O-N 2.77Å; C847-I850 PolarHBondContact O-N 3.46Å; C847-Y851 HydrophobicContact CB-CD1 4.18Å; C847-Y851 HydrophobicContact CB-CE1 3.77Å; C847-Y851 WeakPolarHBondContact O-CD1 3.39Å; C847-Y851 VanDerWaalsContact O-CE1 3.3Å; C847-Y851 WeakPolarHBondContact O-CE1 3.43Å; C847-Y851 PolarHBondContact O-N 3.08Å; C847-S995 WeakPolarHBondContact SG-CB 3.44Å; C847-N996 PolarHBondContact SG-N 2.72Å |
| 848 | S | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57.2 | -36.4 | 179.8 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | N843 G846 Y851 G852 | N843-S848 PolarHBondContact ND2-O 3.38Å; N843-S848 VanDerWaalsContact OD1-CB 3.29Å; N843-S848 WeakPolarHBondContact OD1-CB 3.5Å; N843-S848 PolarHBondContact OD1-OG 3.45Å; G846-S848 PolarHBondContact O-N 3.19Å; S848-Y851 WeakPolarHBondContact CA-OH 3.41Å; S848-G852 WeakPolarHBondContact O-CA 3.36Å; S848-G852 PolarHBondContact O-N 3.14Å |
| 849 | S | 97.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 12.9 Ų | 12.9 | 5% | 0.049 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -75.5 | -36.6 | 172.9 | 68.7 | 0 | 0 | 0 | 0 | 112.8 | N843 A844 T845 G846 C847 G852 G853 | N843-S849 PolarHBondContact ND2-N 2.96Å; A844-S849 WeakPolarHBondContact O-CB 3.46Å; T845-S849 WeakPolarHBondContact CA-OG 3.47Å; G846-S849 PolarHBondContact N-OG 3.01Å; G846-S849 PolarHBondContact O-N 2.84Å; G846-S849 PolarHBondContact O-OG 3.46Å; C847-S849 VanDerWaalsContact C-N 3.28Å; C847-S849 PolarHBondContact O-N 2.77Å; S849-G852 PolarHBondContact O-N 2.83Å; S849-G853 PolarHBondContact O-N 3.45Å |
| 850 | I | 95 | Very high | 95.9 | Very high | 24 Ų | 24 | 13 Ų | 13 | 12% | 0.123 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.9 | -55.8 | -177.4 | -60.5 | -47.1 | 0 | 0 | 0 | 110.6 | S457 K459 G846 C847 G852 N854 N996 | S457-I850 WeakPolarHBondContact O-CG2 3.44Å; K459-I850 HydrophobicContact CG-CG2 4.27Å; G846-I850 WeakPolarHBondContact O-CG1 3.11Å; G846-I850 PolarHBondContact O-N 2.92Å; C847-I850 PolarHBondContact O-N 3.46Å; I850-G852 PolarHBondContact O-N 2.95Å; I850-N854 WeakPolarHBondContact O-CB 3.23Å; I850-N854 PolarHBondContact O-N 3.46Å; I850-N996 VanDerWaalsContact CG1-OD1 3.29Å; I850-N996 WeakPolarHBondContact CG1-OD1 3.3Å |
| 851 | Y | 94.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 2% | 0.024 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -73 | -17.5 | 177.3 | 61.5 | -117.7 | 0 | 0 | 0 | 112.5 | F813 A818 E824 T825 I828 C847 S848 P859 | F813-Y851 HydrophobicContact CE2-CD2 4.39Å; F813-Y851 HydrophobicContact CE2-CE2 4.44Å; F813-Y851 AromaticContact CZ-CD2 3.7Å; F813-Y851 HydrophobicContact CZ-CD2 3.7Å; F813-Y851 AromaticContact CZ-CE2 3.79Å; F813-Y851 HydrophobicContact CZ-CE2 3.79Å; A818-Y851 HydrophobicContact CB-CD1 3.71Å; A818-Y851 HydrophobicContact CB-CE1 4.4Å; A818-Y851 HydrophobicContact CB-CG 3.83Å; E824-Y851 HydrophobicContact CB-CE1 4.32Å; E824-Y851 VanDerWaalsContact CB-OH 3.25Å; E824-Y851 WeakPolarHBondContact CB-OH 3.13Å; E824-Y851 WeakPolarHBondContact OE2-CE1 3.41Å; E824-Y851 VanDerWaalsContact OE2-CZ 3.25Å; E824-Y851 PolarHBondContact OE2-OH 3.04Å; T825-Y851 HydrophobicContact CG2-CD1 4.47Å; T825-Y851 HydrophobicContact CG2-CD2 3.99Å; T825-Y851 HydrophobicContact CG2-CE1 4.17Å; T825-Y851 HydrophobicContact CG2-CE2 3.68Å; T825-Y851 HydrophobicContact CG2-CG 4.39Å; I828-Y851 HydrophobicContact CD1-CE2 3.8Å; I828-Y851 WeakPolarHBondContact CD1-OH 3.4Å; C847-Y851 HydrophobicContact CB-CD1 4.18Å; C847-Y851 HydrophobicContact CB-CE1 3.77Å; C847-Y851 WeakPolarHBondContact O-CD1 3.39Å; C847-Y851 VanDerWaalsContact O-CE1 3.3Å; C847-Y851 WeakPolarHBondContact O-CE1 3.43Å; C847-Y851 PolarHBondContact O-N 3.08Å; S848-Y851 WeakPolarHBondContact CA-OH 3.41Å; Y851-P859 WeakPolarHBondContact O-CD 3.46Å; Y851-P859 VanDerWaalsContact O-CG 3.24Å; Y851-P859 WeakPolarHBondContact O-CG 3.46Å |
| 852 | G | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -88.8 | -23 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S848 S849 I850 P859 Y860 | S848-G852 WeakPolarHBondContact O-CA 3.36Å; S848-G852 PolarHBondContact O-N 3.14Å; S849-G852 PolarHBondContact O-N 2.83Å; I850-G852 PolarHBondContact O-N 2.95Å; G852-P859 WeakPolarHBondContact O-CD 3.48Å; G852-Y860 WeakPolarHBondContact O-CD2 3.5Å; G852-Y860 WeakPolarHBondContact O-CE2 3.48Å |
| 853 | G | 93.7 | Very high | 95.5 | Very high | 25 Ų | 25 | 15.9 Ų | 15.9 | 26% | 0.258 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -153.7 | 29.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S849 | S849-G853 PolarHBondContact O-N 3.45Å |
| 854 | N | 90.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 20.8 Ų | 20.8 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | trans | -89.7 | 118.4 | 177.5 | -179.8 | 60.7 | 0 | 0 | 0 | 112.5 | S457 I850 S857 | S457-N854 WeakPolarHBondContact CB-ND2 3.34Å; S457-N854 WeakPolarHBondContact CB-OD1 3.48Å; S457-N854 PolarHBondContact OG-ND2 3.38Å; S457-N854 PolarHBondContact OG-OD1 3.12Å; I850-N854 WeakPolarHBondContact O-CB 3.23Å; I850-N854 PolarHBondContact O-N 3.46Å; N854-S857 PolarHBondContact O-N 2.76Å | ||
| 855 | L | 91.6 | Very high | 94.8 | Very high | 53 Ų | 53 | 26 Ų | 26 | 28% | 0.277 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 147.6 | -177.5 | -58 | 178.6 | 0 | 0 | 0 | 112.1 | M646 W665 | M646-L855 HydrophobicContact CE-CB 4.19Å; W665-L855 HydrophobicContact CB-CD2 4.12Å; W665-L855 HydrophobicContact CD2-CD1 4.12Å; W665-L855 HydrophobicContact CD2-CD2 3.39Å; W665-L855 HydrophobicContact CD2-CG 4.33Å; W665-L855 VanDerWaalsContact CE2-CD1 3.42Å; W665-L855 HydrophobicContact CE3-CD2 3.87Å; W665-L855 HydrophobicContact CG-CD1 4.44Å; W665-L855 HydrophobicContact CG-CD2 3.43Å; W665-L855 VanDerWaalsContact CG-CD2 3.43Å; W665-L855 HydrophobicContact CZ2-CD1 3.69Å; W665-L855 HydrophobicContact CZ2-CD2 4.37Å; W665-L855 VanDerWaalsContact NE1-CD1 3.28Å |
| 856 | P | 91.5 | Very high | 94.6 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 7% | 0.071 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.6 | 7.1 | 8.2 | 39.9 | -39.5 | 0 | 0 | 0 | 114.8 | T643 M646 L647 | T643-P856 HydrophobicContact CG2-CB 3.93Å; T643-P856 HydrophobicContact CG2-CG 4.18Å; T643-P856 WeakPolarHBondContact CG2-O 3.42Å; M646-P856 HydrophobicContact CB-CB 3.79Å; M646-P856 HydrophobicContact CB-CG 3.76Å; M646-P856 HydrophobicContact CE-CB 3.84Å; M646-P856 HydrophobicContact CG-CB 4.38Å; M646-P856 HydrophobicContact SD-CB 3.74Å; L647-P856 HydrophobicContact CD2-CG 3.69Å; L647-P856 HydrophobicContact CG-CG 3.72Å |
| 857 | S | 91.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | trans | -120.1 | 121.9 | -173.7 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | T669 E673 N854 | T669-S857 WeakPolarHBondContact OG1-CA 3.41Å; E673-S857 WeakPolarHBondContact OE2-CB 3.47Å; E673-S857 PolarHBondContact OE2-OG 3.34Å; N854-S857 PolarHBondContact O-N 2.76Å | ||
| 858 | T | 94.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | trans | -113.6 | 127.7 | -176.6 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | P666 T669 T670 | P666-T858 PolarHBondContact O-OG1 3.48Å; T669-T858 PolarHBondContact N-O 3.39Å; T669-T858 VanDerWaalsContact N-O 3.16Å; T669-T858 PolarHBondContact OG1-N 3.4Å; T669-T858 PolarHBondContact OG1-OG1 2.9Å; T669-T858 VanDerWaalsContact OG1-OG1 3.11Å; T670-T858 PolarHBondContact N-O 2.79Å | ||
| 859 | P | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -81.6 | -20.8 | -174.1 | 33 | -40.3 | 0 | 0 | 0 | 115.8 | T670 F813 E814 Y851 G852 T861 | T670-P859 HydrophobicContact CG2-CB 4.16Å; T670-P859 WeakPolarHBondContact OG1-CA 3.5Å; F813-P859 WeakPolarHBondContact CA-O 3.32Å; F813-P859 HydrophobicContact CD2-CB 4.02Å; F813-P859 HydrophobicContact CD2-CG 3.86Å; F813-P859 HydrophobicContact CE2-CB 3.84Å; F813-P859 HydrophobicContact CE2-CG 3.33Å; F813-P859 HydrophobicContact CZ-CB 4.14Å; F813-P859 HydrophobicContact CZ-CG 3.84Å; E814-P859 PolarHBondContact N-O 2.78Å; E814-P859 WeakPolarHBondContact O-CA 3.26Å; E814-P859 WeakPolarHBondContact O-CB 3.07Å; Y851-P859 WeakPolarHBondContact O-CD 3.46Å; Y851-P859 VanDerWaalsContact O-CG 3.24Å; Y851-P859 WeakPolarHBondContact O-CG 3.46Å; G852-P859 WeakPolarHBondContact O-CD 3.48Å; P859-T861 PolarHBondContact O-N 3.41Å | ||
| 860 | Y | 98.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 34 Ų | 34 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 130.4 | 176 | -65.6 | -80.8 | 0 | 0 | 0 | 109.1 | M667 G668 L812 F813 I828 I841 G852 P869 W871 | M667-Y860 WeakPolarHBondContact CB-O 3.3Å; G668-Y860 WeakPolarHBondContact CA-O 3.41Å; G668-Y860 PolarHBondContact N-O 3Å; L812-Y860 WeakPolarHBondContact O-CA 3.18Å; F813-Y860 AromaticContact CD2-CD1 3.74Å; F813-Y860 HydrophobicContact CD2-CD1 3.74Å; F813-Y860 HydrophobicContact CD2-CD2 4.25Å; F813-Y860 AromaticContact CD2-CE1 3.49Å; F813-Y860 HydrophobicContact CD2-CE1 3.49Å; F813-Y860 VanDerWaalsContact CD2-CE1 3.49Å; F813-Y860 HydrophobicContact CD2-CE2 4.01Å; F813-Y860 HydrophobicContact CD2-CG 4.12Å; F813-Y860 AromaticContact CD2-CZ 3.64Å; F813-Y860 HydrophobicContact CE2-CD2 4.38Å; F813-Y860 HydrophobicContact CE2-CE1 4.08Å; F813-Y860 AromaticContact CE2-CE2 3.87Å; F813-Y860 HydrophobicContact CE2-CE2 3.87Å; F813-Y860 AromaticContact CE2-CZ 3.72Å; F813-Y860 HydrophobicContact CG-CE1 4.48Å; I828-Y860 HydrophobicContact CG2-CE1 3.91Å; I841-Y860 HydrophobicContact CD1-CD1 4.1Å; I841-Y860 HydrophobicContact CD1-CE1 3.44Å; I841-Y860 VanDerWaalsContact CD1-CE1 3.44Å; G852-Y860 WeakPolarHBondContact O-CD2 3.5Å; G852-Y860 WeakPolarHBondContact O-CE2 3.48Å; Y860-P869 HydrophobicContact CD1-CB 3.98Å; Y860-P869 HydrophobicContact CD1-CG 4.08Å; Y860-W871 HydrophobicContact CD2-CB 4.25Å; Y860-W871 AromaticContact CD2-CD1 3.8Å; Y860-W871 AromaticContact CD2-CG 3.96Å; Y860-W871 HydrophobicContact CD2-CG 3.96Å; Y860-W871 HydrophobicContact CE2-CB 4.49Å; Y860-W871 AromaticContact CE2-CD1 3.2Å; Y860-W871 HydrophobicContact CE2-CD2 4.37Å; Y860-W871 AromaticContact CE2-CG 3.8Å; Y860-W871 HydrophobicContact CE2-CG 3.8Å; Y860-W871 AromaticContact CE2-NE1 3.48Å; Y860-W871 AromaticContact CZ-CD1 3.46Å; Y860-W871 VanDerWaalsContact CZ-CD1 3.46Å; Y860-W871 AromaticContact CZ-NE1 3.84Å |
| 861 | T | 97.8 | Very high | 94.7 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | trans | -133.1 | -178.7 | -175 | -166.6 | 0 | 0 | 0 | 0 | 111.3 | L812 E814 P859 P869 | L812-T861 HydrophobicContact CB-CG2 4.34Å; L812-T861 HydrophobicContact CD2-CG2 4.26Å; L812-T861 PolarHBondContact O-N 2.99Å; E814-T861 HydrophobicContact CG-CG2 4.05Å; P859-T861 PolarHBondContact O-N 3.41Å; T861-P869 WeakPolarHBondContact O-CD 3.41Å | ||
| 862 | T | 96.8 | Very high | 94.9 | Very high | 50 Ų | 50 | 37.5 Ų | 37.5 | 31% | 0.307 | 24% | 0.241 | S | C | . | . | trans | -111.4 | 157.1 | 179.2 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | M667 R867 | M667-T862 HydrophobicContact CE-CG2 4.04Å; M667-T862 HydrophobicContact CG-CG2 4.1Å; M667-T862 HydrophobicContact SD-CG2 3.37Å; M667-T862 WeakPolarHBondContact SD-CG2 3.31Å; T862-R867 CarbonylContact C-O 3.59Å; T862-R867 VanDerWaalsContact CA-O 3.26Å; T862-R867 WeakPolarHBondContact CA-O 3.34Å | ||
| 863 | D | 93.9 | Very high | 95 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | trans | -68.6 | 179.8 | 163.9 | 78 | -4.1 | 0 | 0 | 0 | 111.6 | L812 N865 G866 R867 | L812-D863 HydrophobicContact CD2-CB 4.39Å; D863-N865 PolarHBondContact O-N 3.33Å; D863-N865 VanDerWaalsContact O-N 3.15Å; D863-N865 VanDerWaalsContact OD1-CA 3.29Å; D863-N865 WeakPolarHBondContact OD1-CA 3.5Å; D863-N865 WeakPolarHBondContact OD1-CB 3.5Å; D863-N865 PolarHBondContact OD1-N 2.91Å; D863-N865 PolarHBondContact OD2-ND2 2.83Å; D863-N865 VanDerWaalsContact OD2-ND2 3.16Å; D863-G866 PolarHBondContact O-N 3.13Å; D863-G866 PolarHBondContact OD1-N 3.23Å; D863-G866 VanDerWaalsContact OD1-N 3.08Å; D863-R867 PolarHBondContact N-O 3.28Å; D863-R867 WeakPolarHBondContact OD1-CB 3.28Å; D863-R867 PolarHBondContact OD1-N 3.45Å | ||
| 864 | A | 90.8 | Very high | 95.3 | Very high | 102 Ų | 102 | 40.2 Ų | 40.2 | 84% | 0.843 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 865 | N | 91.3 | Very high | 95.7 | Very high | 110 Ų | 110 | 40.7 Ų | 40.7 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 3.9 | 176.3 | -54.5 | -70.1 | 0 | 0 | 0 | 112.6 | D863 R867 | D863-N865 PolarHBondContact O-N 3.33Å; D863-N865 VanDerWaalsContact O-N 3.15Å; D863-N865 VanDerWaalsContact OD1-CA 3.29Å; D863-N865 WeakPolarHBondContact OD1-CA 3.5Å; D863-N865 WeakPolarHBondContact OD1-CB 3.5Å; D863-N865 PolarHBondContact OD1-N 2.91Å; D863-N865 PolarHBondContact OD2-ND2 2.83Å; D863-N865 VanDerWaalsContact OD2-ND2 3.16Å; N865-R867 VanDerWaalsContact C-N 3.35Å; N865-R867 HydrophobicContact CB-CG 4.15Å |
| 866 | G | 93.5 | Very high | 96 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 56% | 0.557 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 75.9 | 19.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D863 | D863-G866 PolarHBondContact O-N 3.13Å; D863-G866 PolarHBondContact OD1-N 3.23Å; D863-G866 VanDerWaalsContact OD1-N 3.08Å |
| 867 | R | 94.8 | Very high | 96.3 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | trans | -100.5 | 135.2 | 179.5 | -56.1 | 169.1 | -174.6 | 158.7 | 4.5 | 110.1 | D837 T862 D863 N865 | D837-R867 HydrophobicContact CB-CB 4.29Å; T862-R867 CarbonylContact C-O 3.59Å; T862-R867 VanDerWaalsContact CA-O 3.26Å; T862-R867 WeakPolarHBondContact CA-O 3.34Å; D863-R867 PolarHBondContact N-O 3.28Å; D863-R867 WeakPolarHBondContact OD1-CB 3.28Å; D863-R867 PolarHBondContact OD1-N 3.45Å; N865-R867 VanDerWaalsContact C-N 3.35Å; N865-R867 HydrophobicContact CB-CG 4.15Å | ||
| 868 | G | 97 | Very high | 96.7 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | trans | -167.3 | -179.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G836 A870 | G836-G868 CarbonylContact O-C 3.49Å; G836-G868 VanDerWaalsContact O-CA 3.24Å; G836-G868 WeakPolarHBondContact O-CA 3.4Å; G868-A870 PolarHBondContact O-N 3.05Å | ||
| 869 | P | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | trans | -65.4 | 122.1 | -179.4 | -19.9 | 32.8 | 0 | 0 | 0 | 110.8 | M667 L812 T832 G836 M839 I841 Y860 T861 | M667-P869 WeakPolarHBondContact CE-O 3.45Å; L812-P869 HydrophobicContact CB-CG 4.31Å; T832-P869 HydrophobicContact CG2-CG 3.85Å; G836-P869 WeakPolarHBondContact O-CD 3.33Å; M839-P869 HydrophobicContact CB-CB 4.11Å; I841-P869 HydrophobicContact CD1-CB 3.72Å; I841-P869 HydrophobicContact CG1-CB 4.34Å; Y860-P869 HydrophobicContact CD1-CB 3.98Å; Y860-P869 HydrophobicContact CD1-CG 4.08Å; T861-P869 WeakPolarHBondContact O-CD 3.41Å | ||
| 870 | A | 98.1 | Very high | 96.9 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 122.6 | 167 | 0 | 0 | 0 | 0 | 0 | 108.3 | M839 L840 I841 G868 | M839-A870 PolarHBondContact O-N 3.37Å; L840-A870 CarbonylContact C-O 3.6Å; L840-A870 HydrophobicContact CD2-CB 3.75Å; I841-A870 PolarHBondContact N-O 3.22Å; G868-A870 PolarHBondContact O-N 3.05Å |
| 871 | W | 98.4 | Very high | 97 | Very high | 73 Ų | 73 | 45.8 Ų | 45.8 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.4 | -168.2 | -176.9 | 95.7 | 0 | 0 | 0 | 111.5 | I841 N843 Y860 N873 | I841-W871 HydrophobicContact CB-CG 4.45Å; N843-W871 HydrophobicContact CB-CZ2 3.67Å; N843-W871 VanDerWaalsContact CB-NE1 3.34Å; N843-W871 VanDerWaalsContact ND2-CZ2 3.32Å; N843-W871 WeakPolarHBondContact ND2-CZ2 3.49Å; N843-W871 PolarHBondContact ND2-NE1 3.19Å; Y860-W871 HydrophobicContact CD2-CB 4.25Å; Y860-W871 AromaticContact CD2-CD1 3.8Å; Y860-W871 AromaticContact CD2-CG 3.96Å; Y860-W871 HydrophobicContact CD2-CG 3.96Å; Y860-W871 HydrophobicContact CE2-CB 4.49Å; Y860-W871 AromaticContact CE2-CD1 3.2Å; Y860-W871 HydrophobicContact CE2-CD2 4.37Å; Y860-W871 AromaticContact CE2-CG 3.8Å; Y860-W871 HydrophobicContact CE2-CG 3.8Å; Y860-W871 AromaticContact CE2-NE1 3.48Å; Y860-W871 AromaticContact CZ-CD1 3.46Å; Y860-W871 VanDerWaalsContact CZ-CD1 3.46Å; Y860-W871 AromaticContact CZ-NE1 3.84Å; W871-N873 HydrophobicContact CH2-CB 3.38Å; W871-N873 HydrophobicContact CZ2-CB 3.88Å; W871-N873 HydrophobicContact CZ3-CB 4.06Å |
| 872 | A | 98.3 | Very high | 97 | Very high | 31 Ų | 31 | 47.9 Ų | 47.9 | 26% | 0.256 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 148.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I841 N843 F882 F886 | I841-A872 PolarHBondContact O-N 3.12Å; N843-A872 PolarHBondContact N-O 3.05Å; A872-F882 HydrophobicContact CB-CE1 3.73Å; A872-F882 HydrophobicContact CB-CZ 3.78Å; A872-F886 HydrophobicContact CB-CZ 4.37Å |
| 873 | N | 98.3 | Very high | 97.1 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | trans | -116.6 | 123.2 | 166.6 | 167.9 | -126.8 | 0 | 0 | 0 | 108.5 | N843 T845 W871 | N843-N873 WeakPolarHBondContact O-CA 3.37Å; N843-N873 PolarHBondContact O-ND2 3.31Å; T845-N873 PolarHBondContact N-ND2 3Å; T845-N873 PolarHBondContact OG1-ND2 2.95Å; T845-N873 VanDerWaalsContact OG1-ND2 3.12Å; T845-N873 PolarHBondContact OG1-OD1 2.9Å; W871-N873 HydrophobicContact CH2-CB 3.38Å; W871-N873 HydrophobicContact CZ2-CB 3.88Å; W871-N873 HydrophobicContact CZ3-CB 4.06Å | ||
| 874 | S | 98.4 | Very high | 97.3 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | trans | -87 | -88.7 | 170.5 | -175.7 | 0 | 0 | 0 | 0 | 109 | D878 | S874-D878 WeakPolarHBondContact CB-OD1 3.4Å; S874-D878 WeakPolarHBondContact CB-OD2 3.34Å; S874-D878 PolarHBondContact OG-OD1 2.83Å; S874-D878 PolarHBondContact OG-OD2 3.5Å | ||
| 875 | L | 98.5 | Very high | 97.7 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | trans | -133.7 | -168.2 | 177.2 | -60.9 | 172.5 | 0 | 0 | 0 | 111.2 | Q84 A113 T845 E877 D878 | Q84-L875 HydrophobicContact CG-CD2 4.49Å; A113-L875 HydrophobicContact CB-CD2 4.25Å; T845-L875 PolarHBondContact N-O 2.96Å; T845-L875 PolarHBondContact OG1-O 3.37Å; L875-E877 WeakPolarHBondContact CB-OE2 3.25Å; L875-D878 WeakPolarHBondContact CA-OD1 3.39Å; L875-D878 WeakPolarHBondContact CB-OD1 3.27Å; L875-D878 PolarHBondContact N-OD1 3.38Å | ||
| 876 | F | 98.5 | Very high | 98 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -83.9 | -39.4 | 177.3 | -170.7 | -162.8 | 0 | 0 | 0 | 111 | Y24 T845 W965 I969 | Y24-F876 HydrophobicContact CE1-CE1 4.15Å; Y24-F876 WeakPolarHBondContact OH-CE1 3.07Å; T845-F876 WeakPolarHBondContact O-CD2 3.32Å; T845-F876 VanDerWaalsContact O-CE2 3.32Å; T845-F876 WeakPolarHBondContact O-CE2 3.34Å; T845-F876 PolarHBondContact OG1-N 3.35Å; F876-W965 HydrophobicContact CD2-CB 4.05Å; F876-W965 HydrophobicContact CE2-CB 3.66Å; F876-I969 HydrophobicContact CD1-CD1 4.04Å; F876-I969 HydrophobicContact CD1-CG2 3.69Å; F876-I969 HydrophobicContact CD2-CG2 3.83Å; F876-I969 HydrophobicContact CE1-CG2 3.62Å; F876-I969 HydrophobicContact CE2-CG2 3.76Å; F876-I969 HydrophobicContact CG-CG2 3.79Å; F876-I969 HydrophobicContact CZ-CG2 3.64Å |
| 877 | E | 98.5 | Very high | 98.3 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -85.1 | -20.5 | -169.9 | 62.6 | -90.1 | -145.3 | 0 | 0 | 114.7 | L875 I969 G970 | L875-E877 WeakPolarHBondContact CB-OE2 3.25Å; E877-I969 HydrophobicContact CB-CD1 4.14Å; E877-I969 HydrophobicContact CB-CG1 3.76Å; E877-G970 WeakPolarHBondContact O-CA 3.18Å |
| 878 | D | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 19% | 0.193 | 20% | 0.202 | C | C | . | . | trans | -116.4 | 8 | -163.5 | 74.6 | -18.7 | 0 | 0 | 0 | 115.1 | S874 L875 A880 E881 F882 | S874-D878 WeakPolarHBondContact CB-OD1 3.4Å; S874-D878 WeakPolarHBondContact CB-OD2 3.34Å; S874-D878 PolarHBondContact OG-OD1 2.83Å; S874-D878 PolarHBondContact OG-OD2 3.5Å; L875-D878 WeakPolarHBondContact CA-OD1 3.39Å; L875-D878 WeakPolarHBondContact CB-OD1 3.27Å; L875-D878 PolarHBondContact N-OD1 3.38Å; D878-A880 PolarHBondContact O-N 3.41Å; D878-A880 VanDerWaalsContact O-N 3.15Å; D878-E881 WeakPolarHBondContact CA-OE2 3.47Å; D878-E881 PolarHBondContact O-N 2.96Å; D878-F882 WeakPolarHBondContact O-CB 3.45Å; D878-F882 PolarHBondContact O-N 3.23Å | ||
| 879 | N | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -29.4 | -169 | -176.8 | 58.7 | 0 | 0 | 0 | 113.6 | A842 N843 A844 G883 I960 W965 | A842-N879 WeakPolarHBondContact CB-OD1 3.29Å; A842-N879 PolarHBondContact O-ND2 3.42Å; A842-N879 PolarHBondContact O-OD1 3.44Å; N843-N879 WeakPolarHBondContact CA-OD1 3.31Å; N843-N879 PolarHBondContact N-OD1 3.5Å; A844-N879 HydrophobicContact CB-CB 3.6Å; A844-N879 PolarHBondContact N-ND2 3.09Å; A844-N879 PolarHBondContact N-OD1 3.1Å; A844-N879 VanDerWaalsContact N-OD1 3.17Å; N879-G883 PolarHBondContact O-N 2.9Å; N879-G883 VanDerWaalsContact O-N 3.08Å; N879-I960 PolarHBondContact ND2-O 2.77Å; N879-I960 VanDerWaalsContact ND2-O 3.13Å; N879-W965 HydrophobicContact CB-CD2 4.48Å; N879-W965 HydrophobicContact CB-CZ2 3.87Å; N879-W965 WeakPolarHBondContact ND2-CZ2 3.44Å |
| 880 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.7 | -49.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | D878 F882 G883 L884 L959 W965 L974 V977 | D878-A880 PolarHBondContact O-N 3.41Å; D878-A880 VanDerWaalsContact O-N 3.15Å; A880-F882 VanDerWaalsContact C-N 3.31Å; A880-F882 PolarHBondContact O-N 3.32Å; A880-G883 PolarHBondContact O-N 3.13Å; A880-L884 PolarHBondContact O-N 3.04Å; A880-L959 HydrophobicContact CB-CD2 4.38Å; A880-W965 HydrophobicContact CB-CZ2 3.98Å; A880-L974 HydrophobicContact CB-CB 4.3Å; A880-V977 HydrophobicContact CB-CB 4.18Å; A880-V977 HydrophobicContact CB-CG2 3.83Å |
| 881 | E | 98.8 | Very high | 98.3 | Very high | 83 Ų | 83 | 40.1 Ų | 40.1 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.7 | -57.3 | 93.6 | 141.1 | 0 | 0 | 111 | D878 L884 G885 G973 | D878-E881 WeakPolarHBondContact CA-OE2 3.47Å; D878-E881 PolarHBondContact O-N 2.96Å; E881-L884 WeakPolarHBondContact O-CB 3.26Å; E881-L884 PolarHBondContact O-N 2.9Å; E881-G885 PolarHBondContact O-N 3.43Å; E881-G973 VanDerWaalsContact CD-CA 3.44Å; E881-G973 WeakPolarHBondContact OE1-CA 3.22Å |
| 882 | F | 98.8 | Very high | 98.3 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 25% | 0.25 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 175.6 | -176.1 | -129.7 | 0 | 0 | 0 | 111.7 | A842 A872 D878 A880 G885 F886 | A842-F882 HydrophobicContact CB-CD1 3.79Å; A842-F882 HydrophobicContact CB-CE1 4.37Å; A872-F882 HydrophobicContact CB-CE1 3.73Å; A872-F882 HydrophobicContact CB-CZ 3.78Å; D878-F882 WeakPolarHBondContact O-CB 3.45Å; D878-F882 PolarHBondContact O-N 3.23Å; A880-F882 VanDerWaalsContact C-N 3.31Å; A880-F882 PolarHBondContact O-N 3.32Å; F882-G885 PolarHBondContact O-N 3.39Å; F882-F886 HydrophobicContact CD1-CZ 4.08Å; F882-F886 HydrophobicContact CD2-CE1 4.29Å; F882-F886 HydrophobicContact CE1-CE1 4.15Å; F882-F886 HydrophobicContact CE1-CE2 4.35Å; F882-F886 AromaticContact CE1-CZ 3.52Å; F882-F886 HydrophobicContact CE1-CZ 3.52Å; F882-F886 AromaticContact CE2-CE1 3.8Å; F882-F886 HydrophobicContact CE2-CE1 3.8Å; F882-F886 HydrophobicContact CE2-CZ 4.04Å; F882-F886 AromaticContact CZ-CE1 3.73Å; F882-F886 HydrophobicContact CZ-CE1 3.73Å; F882-F886 AromaticContact CZ-CZ 3.49Å; F882-F886 HydrophobicContact CZ-CZ 3.49Å; F882-F886 VanDerWaalsContact CZ-CZ 3.49Å; F882-F886 PolarHBondContact O-N 3.39Å |
| 883 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.2 | -33.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N879 A880 G885 F886 R887 | N879-G883 PolarHBondContact O-N 2.9Å; N879-G883 VanDerWaalsContact O-N 3.08Å; A880-G883 PolarHBondContact O-N 3.13Å; G883-G885 VanDerWaalsContact C-N 3.26Å; G883-G885 PolarHBondContact O-N 3Å; G883-F886 WeakPolarHBondContact O-CB 3.46Å; G883-F886 PolarHBondContact O-N 2.8Å; G883-F886 VanDerWaalsContact O-N 3.11Å; G883-R887 PolarHBondContact O-N 2.8Å |
| 884 | L | 98.7 | Very high | 98.1 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -40.8 | 171.2 | 176 | 64.5 | 0 | 0 | 0 | 110.8 | A880 E881 F886 R887 L888 V977 L980 E982 | A880-L884 PolarHBondContact O-N 3.04Å; E881-L884 WeakPolarHBondContact O-CB 3.26Å; E881-L884 PolarHBondContact O-N 2.9Å; L884-F886 PolarHBondContact O-N 3.15Å; L884-R887 WeakPolarHBondContact O-CB 3.42Å; L884-R887 PolarHBondContact O-N 3.2Å; L884-L888 HydrophobicContact CD1-CD2 4.5Å; L884-L888 HydrophobicContact CD1-CG 4.27Å; L884-L888 HydrophobicContact CG-CD1 4.16Å; L884-L888 HydrophobicContact CG-CG 4.31Å; L884-L888 WeakPolarHBondContact O-CG 3.5Å; L884-L888 PolarHBondContact O-N 3.15Å; L884-V977 HydrophobicContact CB-CG1 4.38Å; L884-V977 HydrophobicContact CB-CG2 4.06Å; L884-V977 HydrophobicContact CD2-CG2 4.13Å; L884-L980 HydrophobicContact CD1-CD1 4.11Å; L884-L980 HydrophobicContact CD2-CD1 3.7Å; L884-E982 HydrophobicContact CD1-CB 4.05Å; L884-E982 HydrophobicContact CD1-CG 4.15Å |
| 885 | G | 98.7 | Very high | 98.1 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.5 | -36.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E881 F882 G883 T889 | E881-G885 PolarHBondContact O-N 3.43Å; F882-G885 PolarHBondContact O-N 3.39Å; G883-G885 VanDerWaalsContact C-N 3.26Å; G883-G885 PolarHBondContact O-N 3Å; G885-T889 PolarHBondContact O-N 3.39Å; G885-T889 VanDerWaalsContact O-N 3.17Å; G885-T889 PolarHBondContact O-OG1 3Å |
| 886 | F | 98.4 | Very high | 98 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 20% | 0.202 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 174.5 | -59.9 | -11.1 | 0 | 0 | 0 | 111.2 | L840 A842 A872 F882 G883 L884 T889 V890 I957 | L840-F886 HydrophobicContact CB-CD2 4.11Å; L840-F886 HydrophobicContact CD1-CB 4.35Å; A842-F886 HydrophobicContact CB-CD2 4.23Å; A842-F886 HydrophobicContact CB-CE2 3.72Å; A842-F886 HydrophobicContact CB-CZ 4.38Å; A872-F886 HydrophobicContact CB-CZ 4.37Å; F882-F886 HydrophobicContact CD1-CZ 4.08Å; F882-F886 HydrophobicContact CD2-CE1 4.29Å; F882-F886 HydrophobicContact CE1-CE1 4.15Å; F882-F886 HydrophobicContact CE1-CE2 4.35Å; F882-F886 AromaticContact CE1-CZ 3.52Å; F882-F886 HydrophobicContact CE1-CZ 3.52Å; F882-F886 AromaticContact CE2-CE1 3.8Å; F882-F886 HydrophobicContact CE2-CE1 3.8Å; F882-F886 HydrophobicContact CE2-CZ 4.04Å; F882-F886 AromaticContact CZ-CE1 3.73Å; F882-F886 HydrophobicContact CZ-CE1 3.73Å; F882-F886 AromaticContact CZ-CZ 3.49Å; F882-F886 HydrophobicContact CZ-CZ 3.49Å; F882-F886 VanDerWaalsContact CZ-CZ 3.49Å; F882-F886 PolarHBondContact O-N 3.39Å; G883-F886 WeakPolarHBondContact O-CB 3.46Å; G883-F886 PolarHBondContact O-N 2.8Å; G883-F886 VanDerWaalsContact O-N 3.11Å; L884-F886 PolarHBondContact O-N 3.15Å; F886-T889 PolarHBondContact O-N 3.5Å; F886-V890 WeakPolarHBondContact O-CG2 3.47Å; F886-V890 PolarHBondContact O-N 3Å; F886-I957 HydrophobicContact CB-CD1 4.12Å; F886-I957 HydrophobicContact CB-CG2 4.19Å |
| 887 | R | 98.1 | Very high | 97.9 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -49.4 | -178.2 | 180 | 59.4 | -81.5 | 168.6 | -2.1 | 111.5 | G883 L884 T889 V890 D891 I957 E982 N983 V984 | G883-R887 PolarHBondContact O-N 2.8Å; L884-R887 WeakPolarHBondContact O-CB 3.42Å; L884-R887 PolarHBondContact O-N 3.2Å; R887-T889 PolarHBondContact O-N 2.97Å; R887-V890 VanDerWaalsContact NH2-C 3.35Å; R887-V890 PolarHBondContact O-N 3.32Å; R887-D891 VanDerWaalsContact CZ-CG 3.47Å; R887-D891 IonicContact CZ-OD1 3.36Å; R887-D891 IonicContact CZ-OD2 3.89Å; R887-D891 VanDerWaalsContact NE-CG 3.28Å; R887-D891 IonicContact NE-OD1 3.96Å; R887-D891 PolarHBondContact NE-OD1 2.87Å; R887-D891 IonicContact NE-OD2 3.77Å; R887-D891 PolarHBondContact NE-OD2 2.78Å; R887-D891 IonicContact NH2-OD1 3.92Å; R887-D891 PolarHBondContact NH2-OD1 3.11Å; R887-D891 IonicContact NH2-OD2 2.91Å; R887-D891 PolarHBondContact NH2-OD2 3.1Å; R887-D891 PolarHBondContact O-N 3.45Å; R887-I957 HydrophobicContact CB-CD1 3.72Å; R887-I957 HydrophobicContact CG-CD1 4.44Å; R887-E982 HydrophobicContact CG-CB 4.03Å; R887-E982 HydrophobicContact CG-CG 4.32Å; R887-N983 WeakPolarHBondContact CD-O 3.39Å; R887-V984 HydrophobicContact CB-CG1 3.69Å; R887-V984 HydrophobicContact CG-CG1 3.95Å |
| 888 | L | 98.3 | Very high | 97.9 | Very high | 85 Ų | 85 | 49.1 Ų | 49.1 | 45% | 0.445 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56 | -42.2 | 177.3 | -63.3 | 177.8 | 0 | 0 | 0 | 111.5 | L884 Q892 | L884-L888 HydrophobicContact CD1-CD2 4.5Å; L884-L888 HydrophobicContact CD1-CG 4.27Å; L884-L888 HydrophobicContact CG-CD1 4.16Å; L884-L888 HydrophobicContact CG-CG 4.31Å; L884-L888 WeakPolarHBondContact O-CG 3.5Å; L884-L888 PolarHBondContact O-N 3.15Å; L888-Q892 VanDerWaalsContact O-CB 3.31Å; L888-Q892 WeakPolarHBondContact O-CB 3.36Å; L888-Q892 PolarHBondContact O-N 2.87Å |
| 889 | T | 97.5 | Very high | 97.8 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 112 | G885 F886 R887 D891 Q892 H893 | G885-T889 PolarHBondContact O-N 3.39Å; G885-T889 VanDerWaalsContact O-N 3.17Å; G885-T889 PolarHBondContact O-OG1 3Å; F886-T889 PolarHBondContact O-N 3.5Å; R887-T889 PolarHBondContact O-N 2.97Å; T889-D891 VanDerWaalsContact C-N 3.31Å; T889-D891 PolarHBondContact O-N 3.13Å; T889-Q892 PolarHBondContact O-N 3.3Å; T889-H893 WeakPolarHBondContact O-CB 3.35Å; T889-H893 VanDerWaalsContact O-CG 3.32Å; T889-H893 PolarHBondContact O-N 3.45Å |
| 890 | V | 97.2 | Very high | 97.7 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 13% | 0.127 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | L840 F886 R887 R894 K955 I957 | L840-V890 HydrophobicContact CD1-CG2 3.83Å; F886-V890 WeakPolarHBondContact O-CG2 3.47Å; F886-V890 PolarHBondContact O-N 3Å; R887-V890 VanDerWaalsContact NH2-C 3.35Å; R887-V890 PolarHBondContact O-N 3.32Å; V890-R894 PolarHBondContact O-N 3.44Å; V890-R894 VanDerWaalsContact O-N 3.08Å; V890-K955 HydrophobicContact CG1-CB 4.13Å; V890-K955 HydrophobicContact CG1-CG 4.04Å; V890-K955 HydrophobicContact CG2-CB 4.25Å; V890-K955 HydrophobicContact CG2-CG 4.17Å; V890-I957 HydrophobicContact CB-CD1 4.49Å; V890-I957 HydrophobicContact CG2-CD1 4.2Å |
| 891 | D | 96.7 | Very high | 97.6 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.7 | -48.9 | 177.5 | -74.4 | -39.7 | 0 | 0 | 0 | 111.3 | R887 T889 H893 R894 V895 | R887-D891 VanDerWaalsContact CZ-CG 3.47Å; R887-D891 IonicContact CZ-OD1 3.36Å; R887-D891 IonicContact CZ-OD2 3.89Å; R887-D891 VanDerWaalsContact NE-CG 3.28Å; R887-D891 IonicContact NE-OD1 3.96Å; R887-D891 PolarHBondContact NE-OD1 2.87Å; R887-D891 IonicContact NE-OD2 3.77Å; R887-D891 PolarHBondContact NE-OD2 2.78Å; R887-D891 IonicContact NH2-OD1 3.92Å; R887-D891 PolarHBondContact NH2-OD1 3.11Å; R887-D891 IonicContact NH2-OD2 2.91Å; R887-D891 PolarHBondContact NH2-OD2 3.1Å; R887-D891 PolarHBondContact O-N 3.45Å; T889-D891 VanDerWaalsContact C-N 3.31Å; T889-D891 PolarHBondContact O-N 3.13Å; D891-H893 VanDerWaalsContact C-N 3.32Å; D891-H893 PolarHBondContact O-N 3.49Å; D891-R894 WeakPolarHBondContact O-CB 3.42Å; D891-R894 PolarHBondContact O-N 2.89Å; D891-V895 WeakPolarHBondContact O-CG2 3.29Å; D891-V895 PolarHBondContact O-N 3.17Å |
| 892 | Q | 97.6 | Very high | 97.4 | Very high | 122 Ų | 122 | 54 Ų | 54 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.9 | -37.7 | -177.5 | -172.7 | 57.7 | 37 | 0 | 0 | 112 | L888 T889 V895 R896 | L888-Q892 VanDerWaalsContact O-CB 3.31Å; L888-Q892 WeakPolarHBondContact O-CB 3.36Å; L888-Q892 PolarHBondContact O-N 2.87Å; T889-Q892 PolarHBondContact O-N 3.3Å; Q892-V895 PolarHBondContact O-N 3.49Å; Q892-R896 PolarHBondContact O-N 3.1Å |
| 893 | H | 97.1 | Very high | 97.3 | Very high | 88 Ų | 88 | 56.9 Ų | 56.9 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.8 | -38.5 | 175.2 | -76.1 | -166 | 0 | 0 | 0 | 111.7 | T889 D891 R896 V897 A951 | T889-H893 WeakPolarHBondContact O-CB 3.35Å; T889-H893 VanDerWaalsContact O-CG 3.32Å; T889-H893 PolarHBondContact O-N 3.45Å; D891-H893 VanDerWaalsContact C-N 3.32Å; D891-H893 PolarHBondContact O-N 3.49Å; H893-R896 WeakPolarHBondContact O-CB 3.23Å; H893-R896 PolarHBondContact O-N 3.22Å; H893-V897 WeakPolarHBondContact O-CG2 3.27Å; H893-V897 PolarHBondContact O-N 2.98Å; H893-A951 HydrophobicContact CB-CB 3.77Å |
| 894 | R | 96.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 28% | 0.275 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 173.3 | -175.5 | -180 | 177.7 | 86.3 | -4.6 | 111.4 | V890 D891 R896 V897 L898 L952 | V890-R894 PolarHBondContact O-N 3.44Å; V890-R894 VanDerWaalsContact O-N 3.08Å; D891-R894 WeakPolarHBondContact O-CB 3.42Å; D891-R894 PolarHBondContact O-N 2.89Å; R894-R896 VanDerWaalsContact C-N 3.32Å; R894-R896 PolarHBondContact O-N 3.43Å; R894-V897 PolarHBondContact O-N 2.91Å; R894-L898 HydrophobicContact CG-CD1 4.13Å; R894-L898 HydrophobicContact CG-CG 4.49Å; R894-L898 WeakPolarHBondContact O-CG 3.48Å; R894-L898 PolarHBondContact O-N 3.36Å; R894-L952 PolarHBondContact NH1-O 2.92Å; R894-L952 VanDerWaalsContact NH1-O 3.13Å |
| 895 | V | 96.8 | Very high | 97 | Very high | 87 Ų | 87 | 57.9 Ų | 57.9 | 53% | 0.527 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.4 | 173 | 0 | 0 | 0 | 0 | 111.1 | D891 Q892 V897 L898 R899 | D891-V895 WeakPolarHBondContact O-CG2 3.29Å; D891-V895 PolarHBondContact O-N 3.17Å; Q892-V895 PolarHBondContact O-N 3.49Å; V895-V897 PolarHBondContact O-N 3.46Å; V895-L898 PolarHBondContact O-N 3.27Å; V895-R899 PolarHBondContact O-N 2.9Å; V895-R899 VanDerWaalsContact O-N 3.1Å |
| 896 | R | 97 | Very high | 96.8 | Very high | 80 Ų | 80 | 62.9 Ų | 62.9 | 30% | 0.302 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57 | -48.7 | 175.9 | 178.1 | -174.3 | 178 | 117 | 10.5 | 111.4 | Q892 H893 R894 R899 L900 E944 D948 | Q892-R896 PolarHBondContact O-N 3.1Å; H893-R896 WeakPolarHBondContact O-CB 3.23Å; H893-R896 PolarHBondContact O-N 3.22Å; R894-R896 VanDerWaalsContact C-N 3.32Å; R894-R896 PolarHBondContact O-N 3.43Å; R896-R899 PolarHBondContact O-N 3.25Å; R896-L900 HydrophobicContact CG-CD1 4.16Å; R896-L900 WeakPolarHBondContact O-CG 3.38Å; R896-L900 PolarHBondContact O-N 2.85Å; R896-E944 IonicContact CZ-OE2 3.63Å; R896-E944 IonicContact NH2-OE1 3.02Å; R896-E944 IonicContact NH2-OE2 2.91Å; R896-E944 PolarHBondContact NH2-OE2 2.8Å; R896-D948 IonicContact CZ-OD2 3.01Å; R896-D948 IonicContact NE-OD2 3.62Å; R896-D948 PolarHBondContact NE-OD2 3.26Å; R896-D948 VanDerWaalsContact NE-OD2 3.11Å |
| 897 | V | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.8 | -38.6 | -177.4 | 174.1 | 0 | 0 | 0 | 0 | 112 | H893 R894 V895 R899 L900 L901 L945 D948 A951 L952 | H893-V897 WeakPolarHBondContact O-CG2 3.27Å; H893-V897 PolarHBondContact O-N 2.98Å; R894-V897 PolarHBondContact O-N 2.91Å; V895-V897 PolarHBondContact O-N 3.46Å; V897-R899 VanDerWaalsContact C-N 3.34Å; V897-R899 PolarHBondContact O-N 3.33Å; V897-L900 CarbonylContact O-C 3.59Å; V897-L900 PolarHBondContact O-N 3.39Å; V897-L900 VanDerWaalsContact O-N 3.16Å; V897-L901 HydrophobicContact CG1-CD1 4.48Å; V897-L901 HydrophobicContact CG1-CG 4.43Å; V897-L901 WeakPolarHBondContact O-CG 3.45Å; V897-L901 PolarHBondContact O-N 3.25Å; V897-L945 HydrophobicContact CG1-CD1 3.73Å; V897-D948 HydrophobicContact CG2-CB 3.76Å; V897-D948 WeakPolarHBondContact CG2-O 3.27Å; V897-A951 HydrophobicContact CG2-CB 4.02Å; V897-L952 HydrophobicContact CB-CD2 4.42Å; V897-L952 HydrophobicContact CB-CG 4.43Å; V897-L952 HydrophobicContact CG1-CD1 3.75Å; V897-L952 HydrophobicContact CG1-CD2 3.82Å; V897-L952 HydrophobicContact CG1-CG 3.56Å |
| 898 | L | 96.9 | Very high | 96.5 | Very high | 47 Ų | 47 | 64.1 Ų | 64.1 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 174.7 | -71.7 | 171.1 | 0 | 0 | 0 | 111.8 | R894 V895 L900 L901 D902 K917 L952 | R894-L898 HydrophobicContact CG-CD1 4.13Å; R894-L898 HydrophobicContact CG-CG 4.49Å; R894-L898 WeakPolarHBondContact O-CG 3.48Å; R894-L898 PolarHBondContact O-N 3.36Å; V895-L898 PolarHBondContact O-N 3.27Å; L898-L900 VanDerWaalsContact C-N 3.35Å; L898-L900 PolarHBondContact O-N 3.44Å; L898-L901 HydrophobicContact CD2-CD1 4.31Å; L898-L901 WeakPolarHBondContact O-CB 3.15Å; L898-L901 PolarHBondContact O-N 2.87Å; L898-D902 PolarHBondContact O-N 2.73Å; L898-D902 VanDerWaalsContact O-N 3.1Å; L898-K917 HydrophobicContact CD2-CG 4.04Å; L898-L952 HydrophobicContact CD2-CD2 4.07Å; L898-L952 HydrophobicContact CG-CD2 4.38Å |
| 899 | R | 97.1 | Very high | 96.4 | Very high | 128 Ų | 128 | 63 Ų | 63 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 173.1 | 179.4 | -171.3 | 60.7 | 74.7 | 1.7 | 112.1 | V895 R896 V897 D902 Q903 | V895-R899 PolarHBondContact O-N 2.9Å; V895-R899 VanDerWaalsContact O-N 3.1Å; R896-R899 PolarHBondContact O-N 3.25Å; V897-R899 VanDerWaalsContact C-N 3.34Å; V897-R899 PolarHBondContact O-N 3.33Å; R899-D902 PolarHBondContact O-N 2.73Å; R899-Q903 PolarHBondContact O-N 3.3Å |
| 900 | L | 96.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 177.5 | -71.2 | 172.2 | 0 | 0 | 0 | 111.6 | R896 V897 L898 D902 Q903 F904 E944 L945 | R896-L900 HydrophobicContact CG-CD1 4.16Å; R896-L900 WeakPolarHBondContact O-CG 3.38Å; R896-L900 PolarHBondContact O-N 2.85Å; V897-L900 CarbonylContact O-C 3.59Å; V897-L900 PolarHBondContact O-N 3.39Å; V897-L900 VanDerWaalsContact O-N 3.16Å; L898-L900 VanDerWaalsContact C-N 3.35Å; L898-L900 PolarHBondContact O-N 3.44Å; L900-D902 VanDerWaalsContact C-N 3.29Å; L900-D902 PolarHBondContact O-N 3.26Å; L900-Q903 WeakPolarHBondContact O-CB 3.41Å; L900-Q903 PolarHBondContact O-N 2.93Å; L900-Q903 VanDerWaalsContact O-N 3.16Å; L900-F904 VanDerWaalsContact O-CD2 3.23Å; L900-F904 WeakPolarHBondContact O-CD2 3.29Å; L900-F904 PolarHBondContact O-N 2.76Å; L900-E944 HydrophobicContact CD1-CB 4.23Å; L900-L945 HydrophobicContact CB-CB 4.09Å; L900-L945 HydrophobicContact CB-CD1 3.93Å; L900-L945 HydrophobicContact CB-CG 4.44Å; L900-L945 HydrophobicContact CD1-CB 4.4Å |
| 901 | L | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 172.6 | -78.2 | 173.3 | 0 | 0 | 0 | 111.7 | V897 L898 Q903 F904 A905 I908 L913 L916 L932 L945 L952 | V897-L901 HydrophobicContact CG1-CD1 4.48Å; V897-L901 HydrophobicContact CG1-CG 4.43Å; V897-L901 WeakPolarHBondContact O-CG 3.45Å; V897-L901 PolarHBondContact O-N 3.25Å; L898-L901 HydrophobicContact CD2-CD1 4.31Å; L898-L901 WeakPolarHBondContact O-CB 3.15Å; L898-L901 PolarHBondContact O-N 2.87Å; L901-Q903 VanDerWaalsContact C-N 3.3Å; L901-Q903 PolarHBondContact O-N 2.87Å; L901-F904 CarbonylContact O-C 3.47Å; L901-F904 PolarHBondContact O-N 2.91Å; L901-A905 PolarHBondContact O-N 3.41Å; L901-A905 VanDerWaalsContact O-N 3.08Å; L901-I908 HydrophobicContact CD2-CD1 3.82Å; L901-L913 HydrophobicContact CB-CD1 4.06Å; L901-L913 HydrophobicContact CD2-CD1 4.42Å; L901-L916 HydrophobicContact CD1-CB 4.17Å; L901-L916 HydrophobicContact CD2-CD1 3.96Å; L901-L932 HydrophobicContact CD2-CD1 3.94Å; L901-L932 HydrophobicContact CD2-CD2 3.82Å; L901-L945 HydrophobicContact CD2-CD1 4.03Å; L901-L945 HydrophobicContact CD2-CD2 4.06Å; L901-L945 HydrophobicContact CG-CD1 4.01Å; L901-L952 HydrophobicContact CD1-CD1 3.82Å; L901-L952 HydrophobicContact CD1-CD2 4.18Å |
| 902 | D | 96.1 | Very high | 96.2 | Very high | 90 Ų | 90 | 68.5 Ų | 68.5 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 175.8 | -76.4 | -37.5 | 0 | 0 | 0 | 112.8 | L898 R899 L900 F904 A905 K917 | L898-D902 PolarHBondContact O-N 2.73Å; L898-D902 VanDerWaalsContact O-N 3.1Å; R899-D902 PolarHBondContact O-N 2.73Å; L900-D902 VanDerWaalsContact C-N 3.29Å; L900-D902 PolarHBondContact O-N 3.26Å; D902-F904 VanDerWaalsContact C-N 3.26Å; D902-F904 PolarHBondContact O-N 3.4Å; D902-A905 WeakPolarHBondContact O-CB 3.28Å; D902-A905 PolarHBondContact O-N 3.43Å; D902-K917 IonicContact OD1-NZ 3.77Å; D902-K917 PolarHBondContact OD1-NZ 2.84Å; D902-K917 IonicContact OD2-NZ 2.64Å |
| 903 | Q | 95.8 | Very high | 96.1 | Very high | 116 Ų | 116 | 63.8 Ų | 63.8 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -28.3 | 178.3 | -175.1 | 176.4 | -11.1 | 0 | 0 | 113.2 | R899 L900 L901 | R899-Q903 PolarHBondContact O-N 3.3Å; L900-Q903 WeakPolarHBondContact O-CB 3.41Å; L900-Q903 PolarHBondContact O-N 2.93Å; L900-Q903 VanDerWaalsContact O-N 3.16Å; L901-Q903 VanDerWaalsContact C-N 3.3Å; L901-Q903 PolarHBondContact O-N 2.87Å |
| 904 | F | 95.7 | Very high | 96 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 4% | 0.044 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 17 | 179 | -62.8 | -73.4 | 0 | 0 | 0 | 112.8 | L900 L901 D902 D906 K907 I908 L936 V939 E941 A942 L945 | L900-F904 VanDerWaalsContact O-CD2 3.23Å; L900-F904 WeakPolarHBondContact O-CD2 3.29Å; L900-F904 PolarHBondContact O-N 2.76Å; L901-F904 CarbonylContact O-C 3.47Å; L901-F904 PolarHBondContact O-N 2.91Å; D902-F904 VanDerWaalsContact C-N 3.26Å; D902-F904 PolarHBondContact O-N 3.4Å; F904-D906 PolarHBondContact O-N 2.87Å; F904-D906 VanDerWaalsContact O-N 3.16Å; F904-K907 HydrophobicContact CD1-CD 4.31Å; F904-K907 PolarHBondContact O-N 3.3Å; F904-I908 HydrophobicContact CB-CD1 4.24Å; F904-I908 WeakPolarHBondContact O-CG1 3.4Å; F904-I908 PolarHBondContact O-N 3.25Å; F904-L936 HydrophobicContact CB-CD1 4.4Å; F904-V939 HydrophobicContact CD1-CG1 4.43Å; F904-V939 HydrophobicContact CE1-CG1 4.31Å; F904-E941 HydrophobicContact CE1-CB 3.89Å; F904-E941 VanDerWaalsContact CZ-C 3.5Å; F904-E941 HydrophobicContact CZ-CB 3.97Å; F904-E941 VanDerWaalsContact CZ-O 3.23Å; F904-E941 WeakPolarHBondContact CZ-O 3.49Å; F904-A942 HydrophobicContact CD1-CB 4.42Å; F904-A942 HydrophobicContact CD2-CB 4.44Å; F904-A942 HydrophobicContact CE1-CB 4.24Å; F904-A942 HydrophobicContact CE2-CB 4.28Å; F904-A942 HydrophobicContact CZ-CB 4.19Å; F904-L945 HydrophobicContact CB-CD2 4.41Å; F904-L945 HydrophobicContact CD2-CB 4.46Å; F904-L945 HydrophobicContact CD2-CD2 3.81Å; F904-L945 HydrophobicContact CG-CD2 4.46Å |
| 905 | A | 94.8 | Very high | 96 | Very high | 35 Ų | 35 | 62 Ų | 62 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -58.1 | -31.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L901 D902 K907 I908 L913 | L901-A905 PolarHBondContact O-N 3.41Å; L901-A905 VanDerWaalsContact O-N 3.08Å; D902-A905 WeakPolarHBondContact O-CB 3.28Å; D902-A905 PolarHBondContact O-N 3.43Å; A905-K907 VanDerWaalsContact C-N 3.25Å; A905-K907 PolarHBondContact O-N 3.25Å; A905-I908 PolarHBondContact O-N 3.43Å; A905-L913 HydrophobicContact CB-CD2 3.59Å |
| 906 | D | 95 | Very high | 96 | Very high | 133 Ų | 133 | 57.9 Ų | 57.9 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -69.6 | -19.7 | 176.4 | 65.3 | -45 | 0 | 0 | 0 | 113.6 | F904 | F904-D906 PolarHBondContact O-N 2.87Å; F904-D906 VanDerWaalsContact O-N 3.16Å |
| 907 | K | 94.5 | Very high | 95.9 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -101.6 | -4.3 | -179.4 | -58.5 | -172.6 | -174.8 | -178.3 | 0 | 113.6 | F904 A905 Q935 L936 V939 E941 | F904-K907 HydrophobicContact CD1-CD 4.31Å; F904-K907 PolarHBondContact O-N 3.3Å; A905-K907 VanDerWaalsContact C-N 3.25Å; A905-K907 PolarHBondContact O-N 3.25Å; K907-Q935 PolarHBondContact O-NE2 3.34Å; K907-Q935 VanDerWaalsContact O-NE2 3.15Å; K907-L936 HydrophobicContact CB-CD2 3.8Å; K907-V939 HydrophobicContact CD-CG1 3.84Å; K907-V939 HydrophobicContact CD-CG2 4.05Å; K907-E941 IonicContact NZ-OE2 2.73Å |
| 908 | I | 95.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.046 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -111.7 | 133.1 | -177.6 | -56.8 | 163.8 | 0 | 0 | 0 | 108.9 | L901 F904 A905 A910 L912 L913 L932 L936 | L901-I908 HydrophobicContact CD2-CD1 3.82Å; F904-I908 HydrophobicContact CB-CD1 4.24Å; F904-I908 WeakPolarHBondContact O-CG1 3.4Å; F904-I908 PolarHBondContact O-N 3.25Å; A905-I908 PolarHBondContact O-N 3.43Å; I908-A910 PolarHBondContact O-N 3.27Å; I908-L912 HydrophobicContact CG2-CB 4.24Å; I908-L912 HydrophobicContact CG2-CD2 4.16Å; I908-L912 HydrophobicContact CG2-CG 4.21Å; I908-L913 HydrophobicContact CD1-CD1 4.27Å; I908-L913 HydrophobicContact CG2-CB 4.03Å; I908-L932 HydrophobicContact CD1-CD1 3.74Å; I908-L932 HydrophobicContact CG1-CD1 4.02Å; I908-L932 HydrophobicContact CG2-CD1 4.4Å; I908-L936 HydrophobicContact CD1-CD1 4.1Å; I908-L936 HydrophobicContact CG1-CD1 4Å; I908-L936 HydrophobicContact CG1-CD2 4.12Å; I908-L936 HydrophobicContact CG1-CG 4.28Å |
| 909 | P | 95.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 66.2 Ų | 66.2 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | trans | -52.6 | 131.3 | 172.4 | -26.4 | 34 | 0 | 0 | 0 | 111.6 | E911 L912 L913 | P909-E911 PolarHBondContact O-N 3.03Å; P909-E911 VanDerWaalsContact O-N 3.13Å; P909-L912 HydrophobicContact CB-CB 4.33Å; P909-L912 PolarHBondContact O-N 2.74Å; P909-L913 PolarHBondContact O-N 2.92Å | ||
| 910 | A | 94.7 | Very high | 95.2 | Very high | 75 Ų | 75 | 62 Ų | 62 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.7 | -34.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I908 T914 | I908-A910 PolarHBondContact O-N 3.27Å; A910-T914 WeakPolarHBondContact O-CB 3.29Å; A910-T914 PolarHBondContact O-N 2.65Å; A910-T914 PolarHBondContact O-OG1 3.48Å |
| 911 | E | 95.9 | Very high | 94.9 | Very high | 170 Ų | 170 | 65.2 Ų | 65.2 | 79% | 0.794 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65 | -46.3 | 175.9 | -168.7 | 173 | -168.9 | 0 | 0 | 111.6 | P909 T914 A915 | P909-E911 PolarHBondContact O-N 3.03Å; P909-E911 VanDerWaalsContact O-N 3.13Å; E911-T914 PolarHBondContact O-N 2.94Å; E911-A915 VanDerWaalsContact O-CB 3.31Å; E911-A915 WeakPolarHBondContact O-CB 3.36Å; E911-A915 PolarHBondContact O-N 2.81Å |
| 912 | L | 96.5 | Very high | 94.8 | Very high | 28 Ų | 28 | 65.9 Ų | 65.9 | 15% | 0.147 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 176.2 | 179.2 | 59.8 | 0 | 0 | 0 | 111.3 | I908 P909 T914 A915 L916 Q928 A931 | I908-L912 HydrophobicContact CG2-CB 4.24Å; I908-L912 HydrophobicContact CG2-CD2 4.16Å; I908-L912 HydrophobicContact CG2-CG 4.21Å; P909-L912 HydrophobicContact CB-CB 4.33Å; P909-L912 PolarHBondContact O-N 2.74Å; L912-T914 VanDerWaalsContact C-N 3.31Å; L912-T914 PolarHBondContact O-N 2.76Å; L912-A915 PolarHBondContact O-N 2.84Å; L912-L916 HydrophobicContact CD1-CD1 4.12Å; L912-L916 HydrophobicContact CD1-CG 4.1Å; L912-L916 HydrophobicContact CG-CD1 3.88Å; L912-L916 HydrophobicContact CG-CG 4.35Å; L912-L916 WeakPolarHBondContact O-CB 3.43Å; L912-L916 VanDerWaalsContact O-CG 3.23Å; L912-L916 WeakPolarHBondContact O-CG 3.42Å; L912-L916 PolarHBondContact O-N 3.18Å; L912-Q928 HydrophobicContact CD1-CB 4.08Å; L912-Q928 HydrophobicContact CD1-CG 4.36Å; L912-A931 HydrophobicContact CD1-CB 4.19Å; L912-A931 HydrophobicContact CD2-CB 4.06Å |
| 913 | L | 96.2 | Very high | 94.5 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 177.5 | -178.2 | 64.3 | 0 | 0 | 0 | 111.7 | L901 A905 I908 P909 K917 | L901-L913 HydrophobicContact CB-CD1 4.06Å; L901-L913 HydrophobicContact CD2-CD1 4.42Å; A905-L913 HydrophobicContact CB-CD2 3.59Å; I908-L913 HydrophobicContact CD1-CD1 4.27Å; I908-L913 HydrophobicContact CG2-CB 4.03Å; P909-L913 PolarHBondContact O-N 2.92Å; L913-K917 WeakPolarHBondContact O-CG 3.28Å; L913-K917 PolarHBondContact O-N 2.64Å |
| 914 | T | 96.2 | Very high | 94.4 | Very high | 97 Ų | 97 | 62.5 Ų | 62.5 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.3 | -45.1 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | A910 E911 L912 L916 K917 S918 | A910-T914 WeakPolarHBondContact O-CB 3.29Å; A910-T914 PolarHBondContact O-N 2.65Å; A910-T914 PolarHBondContact O-OG1 3.48Å; E911-T914 PolarHBondContact O-N 2.94Å; L912-T914 VanDerWaalsContact C-N 3.31Å; L912-T914 PolarHBondContact O-N 2.76Å; T914-L916 VanDerWaalsContact C-N 3.32Å; T914-L916 PolarHBondContact O-N 3.37Å; T914-K917 PolarHBondContact O-N 3.26Å; T914-S918 PolarHBondContact O-N 3.15Å; T914-S918 VanDerWaalsContact O-N 3.1Å |
| 915 | A | 96.1 | Very high | 94.4 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 22% | 0.223 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65 | -32.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E911 L912 K917 S918 R925 Q928 | E911-A915 VanDerWaalsContact O-CB 3.31Å; E911-A915 WeakPolarHBondContact O-CB 3.36Å; E911-A915 PolarHBondContact O-N 2.81Å; L912-A915 PolarHBondContact O-N 2.84Å; A915-K917 PolarHBondContact O-N 3.38Å; A915-S918 PolarHBondContact O-OG 3.28Å; A915-S918 VanDerWaalsContact O-OG 3.12Å; A915-R925 PolarHBondContact O-NH2 2.99Å; A915-Q928 PolarHBondContact O-OE1 3.06Å |
| 916 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15.6 | 173.7 | -74.4 | 165.6 | 0 | 0 | 0 | 113.2 | L901 L912 T914 R925 Q928 V929 L932 L952 | L901-L916 HydrophobicContact CD1-CB 4.17Å; L901-L916 HydrophobicContact CD2-CD1 3.96Å; L912-L916 HydrophobicContact CD1-CD1 4.12Å; L912-L916 HydrophobicContact CD1-CG 4.1Å; L912-L916 HydrophobicContact CG-CD1 3.88Å; L912-L916 HydrophobicContact CG-CG 4.35Å; L912-L916 WeakPolarHBondContact O-CB 3.43Å; L912-L916 VanDerWaalsContact O-CG 3.23Å; L912-L916 WeakPolarHBondContact O-CG 3.42Å; L912-L916 PolarHBondContact O-N 3.18Å; T914-L916 VanDerWaalsContact C-N 3.32Å; T914-L916 PolarHBondContact O-N 3.37Å; L916-R925 VanDerWaalsContact C-NH2 3.32Å; L916-R925 PolarHBondContact O-NH1 3.32Å; L916-R925 PolarHBondContact O-NH2 3.45Å; L916-Q928 HydrophobicContact CD2-CB 3.64Å; L916-Q928 HydrophobicContact CG-CB 4.28Å; L916-V929 HydrophobicContact CD2-CG2 4.43Å; L916-L932 HydrophobicContact CD1-CB 4.18Å; L916-L932 HydrophobicContact CD1-CD1 4.02Å; L916-L932 HydrophobicContact CD1-CD2 4.13Å; L916-L932 HydrophobicContact CD1-CG 4.34Å; L916-L952 HydrophobicContact CD2-CD1 3.93Å |
| 917 | K | 94.9 | Very high | 94.4 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -18.8 | 179.6 | -69.1 | -176.9 | 177.6 | -172.8 | 0 | 114.1 | L898 D902 L913 T914 A915 | L898-K917 HydrophobicContact CD2-CG 4.04Å; D902-K917 IonicContact OD1-NZ 3.77Å; D902-K917 PolarHBondContact OD1-NZ 2.84Å; D902-K917 IonicContact OD2-NZ 2.64Å; L913-K917 WeakPolarHBondContact O-CG 3.28Å; L913-K917 PolarHBondContact O-N 2.64Å; T914-K917 PolarHBondContact O-N 3.26Å; A915-K917 PolarHBondContact O-N 3.38Å |
| 918 | S | 94.2 | Very high | 94.6 | Very high | 55 Ų | 55 | 60.1 Ų | 60.1 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -76.4 | 171.7 | 176.5 | 66.4 | 0 | 0 | 0 | 0 | 112 | T914 A915 R925 | T914-S918 PolarHBondContact O-N 3.15Å; T914-S918 VanDerWaalsContact O-N 3.1Å; A915-S918 PolarHBondContact O-OG 3.28Å; A915-S918 VanDerWaalsContact O-OG 3.12Å; S918-R925 PolarHBondContact O-NH2 3.37Å |
| 919 | D | 90.2 | Very high | 94.6 | Very high | 161 Ų | 161 | 59.8 Ų | 59.8 | 86% | 0.861 | 34% | 0.335 | S | S | * | . | trans | -69.8 | 140.9 | 166.3 | -62.7 | -32.2 | 0 | 0 | 0 | 109.9 | ||||
| 920 | A | 92.7 | Very high | 94.7 | Very high | 38 Ų | 38 | 59.5 Ų | 59.5 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | trans | -157.1 | 154.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109 | V924 | A920-V924 HydrophobicContact CB-CB 4.29Å; A920-V924 HydrophobicContact CB-CG1 4.12Å | ||
| 921 | T | 90.7 | Very high | 94.8 | Very high | 73 Ų | 73 | 57.8 Ų | 57.8 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | trans | -66.4 | 157.4 | 171 | 78.1 | 0 | 0 | 0 | 0 | 110.3 | E923 V924 R925 | T921-E923 VanDerWaalsContact CB-OE2 3.28Å; T921-E923 WeakPolarHBondContact CB-OE2 3.24Å; T921-E923 PolarHBondContact O-N 3.21Å; T921-E923 PolarHBondContact OG1-OE2 3.17Å; T921-V924 PolarHBondContact O-N 2.99Å; T921-V924 PolarHBondContact OG1-N 3.1Å; T921-R925 WeakPolarHBondContact O-CB 3.3Å; T921-R925 PolarHBondContact O-N 3.37Å | ||
| 922 | P | 92.5 | Very high | 94.8 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.5 | -35.7 | 177.2 | -27.6 | 35.8 | 0 | 0 | 0 | 113.8 | R926 V953 | P922-R926 WeakPolarHBondContact O-CD 3.31Å; P922-R926 WeakPolarHBondContact O-CG 3.34Å; P922-R926 PolarHBondContact O-N 3.24Å; P922-V953 HydrophobicContact CB-CG1 4.19Å |
| 923 | E | 90.2 | Very high | 94.9 | Very high | 75 Ų | 75 | 52.8 Ų | 52.8 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -53.1 | 178.5 | -59.1 | 71.5 | -151.7 | 0 | 0 | 111.1 | T921 R925 R926 E927 | T921-E923 VanDerWaalsContact CB-OE2 3.28Å; T921-E923 WeakPolarHBondContact CB-OE2 3.24Å; T921-E923 PolarHBondContact O-N 3.21Å; T921-E923 PolarHBondContact OG1-OE2 3.17Å; E923-R925 VanDerWaalsContact C-N 3.27Å; E923-R925 PolarHBondContact O-N 2.88Å; E923-R926 WeakPolarHBondContact O-CB 3.17Å; E923-R926 PolarHBondContact O-N 3.16Å; E923-R926 VanDerWaalsContact O-N 3.1Å; E923-E927 PolarHBondContact O-N 2.62Å; E923-E927 VanDerWaalsContact O-N 3.17Å |
| 924 | V | 94.1 | Very high | 94.8 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | A920 T921 R926 E927 Q928 | A920-V924 HydrophobicContact CB-CB 4.29Å; A920-V924 HydrophobicContact CB-CG1 4.12Å; T921-V924 PolarHBondContact O-N 2.99Å; T921-V924 PolarHBondContact OG1-N 3.1Å; V924-R926 VanDerWaalsContact C-N 3.32Å; V924-R926 PolarHBondContact O-N 2.86Å; V924-E927 PolarHBondContact O-N 3.16Å; V924-Q928 VanDerWaalsContact O-CG 3.29Å; V924-Q928 WeakPolarHBondContact O-CG 3.45Å; V924-Q928 PolarHBondContact O-N 2.81Å |
| 925 | R | 95.7 | Very high | 94.8 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.3 | -36 | 177.3 | -175.6 | 49.8 | 57.1 | 103.4 | -5.3 | 112.5 | A915 L916 S918 T921 E923 Q928 V929 L952 V953 | A915-R925 PolarHBondContact O-NH2 2.99Å; L916-R925 VanDerWaalsContact C-NH2 3.32Å; L916-R925 PolarHBondContact O-NH1 3.32Å; L916-R925 PolarHBondContact O-NH2 3.45Å; S918-R925 PolarHBondContact O-NH2 3.37Å; T921-R925 WeakPolarHBondContact O-CB 3.3Å; T921-R925 PolarHBondContact O-N 3.37Å; E923-R925 VanDerWaalsContact C-N 3.27Å; E923-R925 PolarHBondContact O-N 2.88Å; R925-Q928 PolarHBondContact O-N 2.82Å; R925-V929 WeakPolarHBondContact O-CB 3.34Å; R925-V929 VanDerWaalsContact O-CG2 3.3Å; R925-V929 WeakPolarHBondContact O-CG2 3.48Å; R925-V929 PolarHBondContact O-N 3.2Å; R925-L952 HydrophobicContact CG-CB 4.32Å; R925-L952 WeakPolarHBondContact CG-O 3.09Å; R925-V953 HydrophobicContact CB-CG2 4.48Å; R925-V953 HydrophobicContact CG-CB 4.42Å; R925-V953 HydrophobicContact CG-CG2 3.93Å |
| 926 | R | 95.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 58.1 Ų | 58.1 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.1 | -73.6 | 162.4 | 179.6 | 141.2 | -4.1 | 111.8 | D837 P922 E923 V924 Q928 V929 A930 V953 | D837-R926 PolarHBondContact O-NH2 2.72Å; D837-R926 IonicContact OD2-CZ 2.75Å; D837-R926 IonicContact OD2-NH1 3.58Å; D837-R926 PolarHBondContact OD2-NH1 2.84Å; D837-R926 IonicContact OD2-NH2 3.67Å; D837-R926 PolarHBondContact OD2-NH2 3Å; P922-R926 WeakPolarHBondContact O-CD 3.31Å; P922-R926 WeakPolarHBondContact O-CG 3.34Å; P922-R926 PolarHBondContact O-N 3.24Å; E923-R926 WeakPolarHBondContact O-CB 3.17Å; E923-R926 PolarHBondContact O-N 3.16Å; E923-R926 VanDerWaalsContact O-N 3.1Å; V924-R926 VanDerWaalsContact C-N 3.32Å; V924-R926 PolarHBondContact O-N 2.86Å; R926-Q928 VanDerWaalsContact C-N 3.34Å; R926-V929 PolarHBondContact O-N 3.02Å; R926-A930 WeakPolarHBondContact O-CB 3.31Å; R926-A930 PolarHBondContact O-N 3.23Å; R926-V953 HydrophobicContact CG-CG1 4.25Å; R926-V953 HydrophobicContact CG-CG2 3.82Å |
| 927 | E | 95.5 | Very high | 94.5 | Very high | 139 Ų | 139 | 63.5 Ų | 63.5 | 65% | 0.65 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 174.1 | -66.4 | 176.4 | 178.1 | 0 | 0 | 111.2 | E923 V924 V929 A930 A931 | E923-E927 PolarHBondContact O-N 2.62Å; E923-E927 VanDerWaalsContact O-N 3.17Å; V924-E927 PolarHBondContact O-N 3.16Å; E927-V929 PolarHBondContact O-N 3.32Å; E927-A930 WeakPolarHBondContact O-CB 3.33Å; E927-A930 PolarHBondContact O-N 2.94Å; E927-A931 PolarHBondContact O-N 3.5Å |
| 928 | Q | 97.2 | Very high | 94.3 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 176.2 | -66.1 | 165.6 | -9.4 | 0 | 0 | 112.2 | L912 A915 L916 V924 R925 R926 A931 L932 | L912-Q928 HydrophobicContact CD1-CB 4.08Å; L912-Q928 HydrophobicContact CD1-CG 4.36Å; A915-Q928 PolarHBondContact O-OE1 3.06Å; L916-Q928 HydrophobicContact CD2-CB 3.64Å; L916-Q928 HydrophobicContact CG-CB 4.28Å; V924-Q928 VanDerWaalsContact O-CG 3.29Å; V924-Q928 WeakPolarHBondContact O-CG 3.45Å; V924-Q928 PolarHBondContact O-N 2.81Å; R925-Q928 PolarHBondContact O-N 2.82Å; R926-Q928 VanDerWaalsContact C-N 3.34Å; Q928-A931 PolarHBondContact O-N 2.77Å; Q928-L932 WeakPolarHBondContact O-CB 3.36Å; Q928-L932 PolarHBondContact O-N 3.24Å |
| 929 | V | 96.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 175.3 | 167.2 | 0 | 0 | 0 | 0 | 111.2 | L916 R925 R926 E927 L932 R933 A949 L952 V953 | L916-V929 HydrophobicContact CD2-CG2 4.43Å; R925-V929 WeakPolarHBondContact O-CB 3.34Å; R925-V929 VanDerWaalsContact O-CG2 3.3Å; R925-V929 WeakPolarHBondContact O-CG2 3.48Å; R925-V929 PolarHBondContact O-N 3.2Å; R926-V929 PolarHBondContact O-N 3.02Å; E927-V929 PolarHBondContact O-N 3.32Å; V929-L932 WeakPolarHBondContact O-CB 3.28Å; V929-L932 PolarHBondContact O-N 2.98Å; V929-R933 WeakPolarHBondContact O-CG 3.4Å; V929-R933 PolarHBondContact O-N 3.12Å; V929-A949 HydrophobicContact CG1-CB 3.83Å; V929-L952 HydrophobicContact CG2-CB 4.27Å; V929-L952 HydrophobicContact CG2-CD1 4.36Å; V929-V953 HydrophobicContact CG2-CG2 4.39Å |
| 930 | A | 96.3 | Very high | 94.1 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R926 E927 L932 R933 Q934 | R926-A930 WeakPolarHBondContact O-CB 3.31Å; R926-A930 PolarHBondContact O-N 3.23Å; E927-A930 WeakPolarHBondContact O-CB 3.33Å; E927-A930 PolarHBondContact O-N 2.94Å; A930-L932 PolarHBondContact O-N 3.27Å; A930-R933 PolarHBondContact O-N 3.43Å; A930-Q934 PolarHBondContact O-N 3.17Å |
| 931 | A | 96.8 | Very high | 94.2 | Very high | 38 Ų | 38 | 66.1 Ų | 66.1 | 31% | 0.314 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L912 E927 Q928 Q934 Q935 | L912-A931 HydrophobicContact CD1-CB 4.19Å; L912-A931 HydrophobicContact CD2-CB 4.06Å; E927-A931 PolarHBondContact O-N 3.5Å; Q928-A931 PolarHBondContact O-N 2.77Å; A931-Q934 PolarHBondContact O-N 3.43Å; A931-Q935 WeakPolarHBondContact O-CB 3.48Å; A931-Q935 PolarHBondContact O-N 3.45Å |
| 932 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 173.6 | 177.9 | 68 | 0 | 0 | 0 | 111.5 | L901 I908 L916 Q928 V929 A930 Q934 Q935 L936 L945 A949 | L901-L932 HydrophobicContact CD2-CD1 3.94Å; L901-L932 HydrophobicContact CD2-CD2 3.82Å; I908-L932 HydrophobicContact CD1-CD1 3.74Å; I908-L932 HydrophobicContact CG1-CD1 4.02Å; I908-L932 HydrophobicContact CG2-CD1 4.4Å; L916-L932 HydrophobicContact CD1-CB 4.18Å; L916-L932 HydrophobicContact CD1-CD1 4.02Å; L916-L932 HydrophobicContact CD1-CD2 4.13Å; L916-L932 HydrophobicContact CD1-CG 4.34Å; Q928-L932 WeakPolarHBondContact O-CB 3.36Å; Q928-L932 PolarHBondContact O-N 3.24Å; V929-L932 WeakPolarHBondContact O-CB 3.28Å; V929-L932 PolarHBondContact O-N 2.98Å; A930-L932 PolarHBondContact O-N 3.27Å; L932-Q934 VanDerWaalsContact C-N 3.33Å; L932-Q934 PolarHBondContact O-N 3.01Å; L932-Q935 PolarHBondContact O-N 3.37Å; L932-L936 HydrophobicContact CD1-CD1 3.68Å; L932-L936 HydrophobicContact CD1-CG 4.26Å; L932-L936 HydrophobicContact CG-CD1 4.43Å; L932-L936 PolarHBondContact O-N 3.25Å; L932-L945 HydrophobicContact CD2-CD1 4.4Å; L932-L945 HydrophobicContact CD2-CG 4.46Å; L932-A949 HydrophobicContact CD2-CB 4.27Å |
| 933 | R | 96.7 | Very high | 94.4 | Very high | 94 Ų | 94 | 67.9 Ų | 67.9 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 176.8 | -77.7 | 176.3 | 170.6 | 155 | 0.8 | 111.7 | V929 A930 N937 L946 D950 | V929-R933 WeakPolarHBondContact O-CG 3.4Å; V929-R933 PolarHBondContact O-N 3.12Å; A930-R933 PolarHBondContact O-N 3.43Å; R933-N937 WeakPolarHBondContact O-CB 3.2Å; R933-N937 PolarHBondContact O-N 3.11Å; R933-N937 VanDerWaalsContact O-N 3.12Å; R933-L946 HydrophobicContact CB-CD2 4.38Å; R933-L946 HydrophobicContact CG-CD2 4.05Å; R933-L946 PolarHBondContact NE-O 3.22Å; R933-L946 PolarHBondContact NH2-O 3.22Å; R933-D950 IonicContact CZ-OD1 2.61Å; R933-D950 IonicContact CZ-OD2 3.59Å; R933-D950 IonicContact NH1-OD1 2.8Å; R933-D950 PolarHBondContact NH1-OD1 3Å; R933-D950 IonicContact NH1-OD2 3.78Å; R933-D950 IonicContact NH2-OD1 3.12Å; R933-D950 PolarHBondContact NH2-OD1 3.2Å; R933-D950 IonicContact NH2-OD2 3.74Å; R933-D950 PolarHBondContact NH2-OD2 2.94Å |
| 934 | Q | 95.8 | Very high | 94.6 | Very high | 164 Ų | 164 | 68.4 Ų | 68.4 | 77% | 0.766 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 176.1 | -172.8 | 178 | 4 | 0 | 0 | 112 | A930 A931 L932 L936 | A930-Q934 PolarHBondContact O-N 3.17Å; A931-Q934 PolarHBondContact O-N 3.43Å; L932-Q934 VanDerWaalsContact C-N 3.33Å; L932-Q934 PolarHBondContact O-N 3.01Å; Q934-L936 PolarHBondContact O-N 2.95Å |
| 935 | Q | 95.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 65.6 Ų | 65.6 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | -176.8 | 180 | 61.6 | 25.1 | 0 | 0 | 113.3 | K907 A931 L932 | K907-Q935 PolarHBondContact O-NE2 3.34Å; K907-Q935 VanDerWaalsContact O-NE2 3.15Å; A931-Q935 WeakPolarHBondContact O-CB 3.48Å; A931-Q935 PolarHBondContact O-N 3.45Å; L932-Q935 PolarHBondContact O-N 3.37Å |
| 936 | L | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -105.5 | 7.3 | -174.9 | -62.3 | -179.8 | 0 | 0 | 0 | 113.8 | F904 K907 I908 L932 Q934 D938 V939 A942 L945 L946 | F904-L936 HydrophobicContact CB-CD1 4.4Å; K907-L936 HydrophobicContact CB-CD2 3.8Å; I908-L936 HydrophobicContact CD1-CD1 4.1Å; I908-L936 HydrophobicContact CG1-CD1 4Å; I908-L936 HydrophobicContact CG1-CD2 4.12Å; I908-L936 HydrophobicContact CG1-CG 4.28Å; L932-L936 HydrophobicContact CD1-CD1 3.68Å; L932-L936 HydrophobicContact CD1-CG 4.26Å; L932-L936 HydrophobicContact CG-CD1 4.43Å; L932-L936 PolarHBondContact O-N 3.25Å; Q934-L936 PolarHBondContact O-N 2.95Å; L936-D938 PolarHBondContact O-N 3.4Å; L936-D938 VanDerWaalsContact O-N 3.1Å; L936-V939 HydrophobicContact CD2-CG2 3.99Å; L936-V939 WeakPolarHBondContact O-CB 3.25Å; L936-V939 PolarHBondContact O-N 3.33Å; L936-A942 HydrophobicContact CB-CB 4.11Å; L936-A942 HydrophobicContact CD1-CB 4.15Å; L936-L945 HydrophobicContact CD1-CD2 3.63Å; L936-L946 HydrophobicContact CB-CD1 4.44Å; L936-L946 HydrophobicContact CB-CD2 3.93Å; L936-L946 HydrophobicContact CB-CG 4.43Å |
| 937 | N | 91.6 | Very high | 94.7 | Very high | 114 Ų | 114 | 71.3 Ų | 71.3 | 61% | 0.61 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -36.9 | -174.5 | -174 | 68.6 | 0 | 0 | 0 | 113.5 | R933 | R933-N937 WeakPolarHBondContact O-CB 3.2Å; R933-N937 PolarHBondContact O-N 3.11Å; R933-N937 VanDerWaalsContact O-N 3.12Å |
| 938 | D | 89.9 | Confident | 94.7 | Very high | 153 Ų | 153 | 66.2 Ų | 66.2 | 82% | 0.818 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 6.4 | -176.7 | -56.8 | -24.7 | 0 | 0 | 0 | 113.1 | L936 A940 | L936-D938 PolarHBondContact O-N 3.4Å; L936-D938 VanDerWaalsContact O-N 3.1Å; D938-A940 PolarHBondContact O-N 2.87Å |
| 939 | V | 92.9 | Very high | 94.6 | Very high | 27 Ų | 27 | 65 Ų | 65 | 16% | 0.164 | 34% | 0.336 | C | S | . | . | trans | -95.1 | 96.9 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | F904 K907 L936 E941 A942 | F904-V939 HydrophobicContact CD1-CG1 4.43Å; F904-V939 HydrophobicContact CE1-CG1 4.31Å; K907-V939 HydrophobicContact CD-CG1 3.84Å; K907-V939 HydrophobicContact CD-CG2 4.05Å; L936-V939 HydrophobicContact CD2-CG2 3.99Å; L936-V939 WeakPolarHBondContact O-CB 3.25Å; L936-V939 PolarHBondContact O-N 3.33Å; V939-E941 WeakPolarHBondContact CG1-OE2 3.48Å; V939-E941 PolarHBondContact O-N 3.33Å; V939-E941 VanDerWaalsContact O-N 3.14Å; V939-A942 HydrophobicContact CB-CB 3.95Å; V939-A942 HydrophobicContact CG1-CB 3.89Å; V939-A942 WeakPolarHBondContact O-CB 3.29Å; V939-A942 PolarHBondContact O-N 2.96Å | ||
| 940 | A | 88.2 | Confident | 94.5 | Very high | 87 Ų | 87 | 68.3 Ų | 68.3 | 72% | 0.719 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -54.7 | -36 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D938 A942 | D938-A940 PolarHBondContact O-N 2.87Å; A940-A942 VanDerWaalsContact C-N 3.25Å; A940-A942 PolarHBondContact O-N 3.21Å |
| 941 | E | 93.5 | Very high | 94.5 | Very high | 127 Ų | 127 | 66.5 Ų | 66.5 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -73.1 | -17 | 179.8 | -52.9 | 83.9 | -177.8 | 0 | 0 | 113.2 | F904 K907 V939 H943 | F904-E941 HydrophobicContact CE1-CB 3.89Å; F904-E941 VanDerWaalsContact CZ-C 3.5Å; F904-E941 HydrophobicContact CZ-CB 3.97Å; F904-E941 VanDerWaalsContact CZ-O 3.23Å; F904-E941 WeakPolarHBondContact CZ-O 3.49Å; K907-E941 IonicContact NZ-OE2 2.73Å; V939-E941 WeakPolarHBondContact CG1-OE2 3.48Å; V939-E941 PolarHBondContact O-N 3.33Å; V939-E941 VanDerWaalsContact O-N 3.14Å; E941-H943 VanDerWaalsContact C-N 3.3Å; E941-H943 PolarHBondContact O-N 2.8Å |
| 942 | A | 93.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -84.5 | 2.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F904 L936 V939 A940 E944 L945 L946 | F904-A942 HydrophobicContact CD1-CB 4.42Å; F904-A942 HydrophobicContact CD2-CB 4.44Å; F904-A942 HydrophobicContact CE1-CB 4.24Å; F904-A942 HydrophobicContact CE2-CB 4.28Å; F904-A942 HydrophobicContact CZ-CB 4.19Å; L936-A942 HydrophobicContact CB-CB 4.11Å; L936-A942 HydrophobicContact CD1-CB 4.15Å; V939-A942 HydrophobicContact CB-CB 3.95Å; V939-A942 HydrophobicContact CG1-CB 3.89Å; V939-A942 WeakPolarHBondContact O-CB 3.29Å; V939-A942 PolarHBondContact O-N 2.96Å; A940-A942 VanDerWaalsContact C-N 3.25Å; A940-A942 PolarHBondContact O-N 3.21Å; A942-E944 VanDerWaalsContact C-N 3.28Å; A942-E944 PolarHBondContact O-N 3.4Å; A942-L945 WeakPolarHBondContact O-CB 3.29Å; A942-L945 PolarHBondContact O-N 3.22Å; A942-L946 HydrophobicContact CB-CG 4.47Å; A942-L946 WeakPolarHBondContact O-CG 3.47Å; A942-L946 PolarHBondContact O-N 3.49Å |
| 943 | H | 93.9 | Very high | 94.4 | Very high | 125 Ų | 125 | 65 Ų | 65 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -53.4 | -42.4 | -175.4 | -176.8 | 68.9 | 0 | 0 | 0 | 113.4 | E941 L946 R947 | E941-H943 VanDerWaalsContact C-N 3.3Å; E941-H943 PolarHBondContact O-N 2.8Å; H943-L946 PolarHBondContact O-N 3.47Å; H943-R947 WeakPolarHBondContact O-CB 3.49Å; H943-R947 PolarHBondContact O-N 3.41Å |
| 944 | E | 94.5 | Very high | 94.3 | Very high | 87 Ų | 87 | 65.1 Ų | 65.1 | 41% | 0.407 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.9 | -66 | -165.6 | 178.3 | 0 | 0 | 112.5 | R896 L900 A942 R947 D948 | R896-E944 IonicContact CZ-OE2 3.63Å; R896-E944 IonicContact NH2-OE1 3.02Å; R896-E944 IonicContact NH2-OE2 2.91Å; R896-E944 PolarHBondContact NH2-OE2 2.8Å; L900-E944 HydrophobicContact CD1-CB 4.23Å; A942-E944 VanDerWaalsContact C-N 3.28Å; A942-E944 PolarHBondContact O-N 3.4Å; E944-R947 PolarHBondContact O-N 3.38Å; E944-D948 WeakPolarHBondContact O-CB 3.22Å; E944-D948 PolarHBondContact O-N 3.2Å |
| 945 | L | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 177 | 172.7 | 57.4 | 0 | 0 | 0 | 110.4 | V897 L900 L901 F904 L932 L936 A942 R947 D948 A949 | V897-L945 HydrophobicContact CG1-CD1 3.73Å; L900-L945 HydrophobicContact CB-CB 4.09Å; L900-L945 HydrophobicContact CB-CD1 3.93Å; L900-L945 HydrophobicContact CB-CG 4.44Å; L900-L945 HydrophobicContact CD1-CB 4.4Å; L901-L945 HydrophobicContact CD2-CD1 4.03Å; L901-L945 HydrophobicContact CD2-CD2 4.06Å; L901-L945 HydrophobicContact CG-CD1 4.01Å; F904-L945 HydrophobicContact CB-CD2 4.41Å; F904-L945 HydrophobicContact CD2-CB 4.46Å; F904-L945 HydrophobicContact CD2-CD2 3.81Å; F904-L945 HydrophobicContact CG-CD2 4.46Å; L932-L945 HydrophobicContact CD2-CD1 4.4Å; L932-L945 HydrophobicContact CD2-CG 4.46Å; L936-L945 HydrophobicContact CD1-CD2 3.63Å; A942-L945 WeakPolarHBondContact O-CB 3.29Å; A942-L945 PolarHBondContact O-N 3.22Å; L945-R947 PolarHBondContact O-N 2.87Å; L945-D948 PolarHBondContact O-N 2.96Å; L945-A949 WeakPolarHBondContact O-CA 3.37Å; L945-A949 VanDerWaalsContact O-CB 3.32Å; L945-A949 WeakPolarHBondContact O-CB 3.37Å; L945-A949 PolarHBondContact O-N 2.93Å |
| 946 | L | 95.9 | Very high | 94.4 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | -177.9 | -68 | -175.3 | 0 | 0 | 0 | 113.1 | R933 L936 A942 H943 | R933-L946 HydrophobicContact CB-CD2 4.38Å; R933-L946 HydrophobicContact CG-CD2 4.05Å; R933-L946 PolarHBondContact NE-O 3.22Å; R933-L946 PolarHBondContact NH2-O 3.22Å; L936-L946 HydrophobicContact CB-CD1 4.44Å; L936-L946 HydrophobicContact CB-CD2 3.93Å; L936-L946 HydrophobicContact CB-CG 4.43Å; A942-L946 HydrophobicContact CB-CG 4.47Å; A942-L946 WeakPolarHBondContact O-CG 3.47Å; A942-L946 PolarHBondContact O-N 3.49Å; H943-L946 PolarHBondContact O-N 3.47Å |
| 947 | R | 94.3 | Very high | 94.6 | Very high | 139 Ų | 139 | 55.5 Ų | 55.5 | 53% | 0.525 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 176.2 | -173.3 | -172.1 | 67.7 | -158.7 | -6 | 111.3 | H943 E944 L945 | H943-R947 WeakPolarHBondContact O-CB 3.49Å; H943-R947 PolarHBondContact O-N 3.41Å; E944-R947 PolarHBondContact O-N 3.38Å; L945-R947 PolarHBondContact O-N 2.87Å |
| 948 | D | 95.2 | Very high | 94.9 | Very high | 31 Ų | 31 | 50 Ų | 50 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -89.8 | -5 | -171.5 | -58.2 | -11.6 | 0 | 0 | 0 | 112.7 | R896 V897 E944 L945 D950 A951 | R896-D948 IonicContact CZ-OD2 3.01Å; R896-D948 IonicContact NE-OD2 3.62Å; R896-D948 PolarHBondContact NE-OD2 3.26Å; R896-D948 VanDerWaalsContact NE-OD2 3.11Å; V897-D948 HydrophobicContact CG2-CB 3.76Å; V897-D948 WeakPolarHBondContact CG2-O 3.27Å; E944-D948 WeakPolarHBondContact O-CB 3.22Å; E944-D948 PolarHBondContact O-N 3.2Å; L945-D948 PolarHBondContact O-N 2.96Å; D948-D950 PolarHBondContact O-N 2.96Å; D948-A951 VanDerWaalsContact O-CB 3.27Å; D948-A951 WeakPolarHBondContact O-CB 3.37Å; D948-A951 PolarHBondContact O-N 3.31Å |
| 949 | A | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -52.9 | -28.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | V929 L932 L945 A951 L952 | V929-A949 HydrophobicContact CG1-CB 3.83Å; L932-A949 HydrophobicContact CD2-CB 4.27Å; L945-A949 WeakPolarHBondContact O-CA 3.37Å; L945-A949 VanDerWaalsContact O-CB 3.32Å; L945-A949 WeakPolarHBondContact O-CB 3.37Å; L945-A949 PolarHBondContact O-N 2.93Å; A949-A951 PolarHBondContact O-N 3.17Å; A949-A951 VanDerWaalsContact O-N 3.12Å; A949-L952 WeakPolarHBondContact O-CB 3.28Å; A949-L952 PolarHBondContact O-N 2.91Å |
| 950 | D | 94.4 | Very high | 95.6 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -64.7 | -13.8 | 177.8 | -65.1 | -35.9 | 0 | 0 | 0 | 113.1 | R933 D948 L952 V953 K955 | R933-D950 IonicContact CZ-OD1 2.61Å; R933-D950 IonicContact CZ-OD2 3.59Å; R933-D950 IonicContact NH1-OD1 2.8Å; R933-D950 PolarHBondContact NH1-OD1 3Å; R933-D950 IonicContact NH1-OD2 3.78Å; R933-D950 IonicContact NH2-OD1 3.12Å; R933-D950 PolarHBondContact NH2-OD1 3.2Å; R933-D950 IonicContact NH2-OD2 3.74Å; R933-D950 PolarHBondContact NH2-OD2 2.94Å; D948-D950 PolarHBondContact O-N 2.96Å; D950-L952 PolarHBondContact O-N 2.63Å; D950-V953 WeakPolarHBondContact O-CB 3.3Å; D950-V953 PolarHBondContact O-N 2.75Å; D950-K955 PolarHBondContact O-NZ 3.18Å |
| 951 | A | 95.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -67.8 | -14.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H893 V897 D948 A949 V953 | H893-A951 HydrophobicContact CB-CB 3.77Å; V897-A951 HydrophobicContact CG2-CB 4.02Å; D948-A951 VanDerWaalsContact O-CB 3.27Å; D948-A951 WeakPolarHBondContact O-CB 3.37Å; D948-A951 PolarHBondContact O-N 3.31Å; A949-A951 PolarHBondContact O-N 3.17Å; A949-A951 VanDerWaalsContact O-N 3.12Å; A951-V953 VanDerWaalsContact C-N 3.34Å |
| 952 | L | 96.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -76.1 | -24.1 | 171.5 | -66 | 170.2 | 0 | 0 | 0 | 112.7 | R894 V897 L898 L901 L916 R925 V929 A949 D950 | R894-L952 PolarHBondContact NH1-O 2.92Å; R894-L952 VanDerWaalsContact NH1-O 3.13Å; V897-L952 HydrophobicContact CB-CD2 4.42Å; V897-L952 HydrophobicContact CB-CG 4.43Å; V897-L952 HydrophobicContact CG1-CD1 3.75Å; V897-L952 HydrophobicContact CG1-CD2 3.82Å; V897-L952 HydrophobicContact CG1-CG 3.56Å; L898-L952 HydrophobicContact CD2-CD2 4.07Å; L898-L952 HydrophobicContact CG-CD2 4.38Å; L901-L952 HydrophobicContact CD1-CD1 3.82Å; L901-L952 HydrophobicContact CD1-CD2 4.18Å; L916-L952 HydrophobicContact CD2-CD1 3.93Å; R925-L952 HydrophobicContact CG-CB 4.32Å; R925-L952 WeakPolarHBondContact CG-O 3.09Å; V929-L952 HydrophobicContact CG2-CB 4.27Å; V929-L952 HydrophobicContact CG2-CD1 4.36Å; A949-L952 WeakPolarHBondContact O-CB 3.28Å; A949-L952 PolarHBondContact O-N 2.91Å; D950-L952 PolarHBondContact O-N 2.63Å |
| 953 | V | 95.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -76 | 122.2 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | P922 R925 R926 V929 D950 A951 K955 | P922-V953 HydrophobicContact CB-CG1 4.19Å; R925-V953 HydrophobicContact CB-CG2 4.48Å; R925-V953 HydrophobicContact CG-CB 4.42Å; R925-V953 HydrophobicContact CG-CG2 3.93Å; R926-V953 HydrophobicContact CG-CG1 4.25Å; R926-V953 HydrophobicContact CG-CG2 3.82Å; V929-V953 HydrophobicContact CG2-CG2 4.39Å; D950-V953 WeakPolarHBondContact O-CB 3.3Å; D950-V953 PolarHBondContact O-N 2.75Å; A951-V953 VanDerWaalsContact C-N 3.34Å; V953-K955 PolarHBondContact O-NZ 2.79Å |
| 954 | E | 94 | Very high | 96.7 | Very high | 97 Ų | 97 | 26.5 Ų | 26.5 | 45% | 0.453 | 13% | 0.13 | S | C | . | . | trans | -58.8 | 139.7 | 179.2 | -173.7 | 168.8 | -160.6 | 0 | 0 | 111.9 | R838 | R838-E954 WeakPolarHBondContact CD-O 3.31Š| ||
| 955 | K | 96.5 | Very high | 96.9 | Very high | 52 Ų | 52 | 22.4 Ų | 22.4 | 23% | 0.226 | 11% | 0.111 | C | C | . | . | trans | -113.5 | 139 | 178.9 | -57.1 | -64.8 | -178.6 | -81.3 | 0 | 109.2 | R838 L840 V890 D950 V953 | R838-K955 WeakPolarHBondContact O-CA 3.47Å; L840-K955 HydrophobicContact CD1-CB 4.33Å; L840-K955 HydrophobicContact CG-CB 4.48Å; V890-K955 HydrophobicContact CG1-CB 4.13Å; V890-K955 HydrophobicContact CG1-CG 4.04Å; V890-K955 HydrophobicContact CG2-CB 4.25Å; V890-K955 HydrophobicContact CG2-CG 4.17Å; D950-K955 PolarHBondContact O-NZ 3.18Å; V953-K955 PolarHBondContact O-NZ 2.79Å | ||
| 956 | S | 97.6 | Very high | 97 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 111.9 | 176 | -161.1 | 0 | 0 | 0 | 0 | 109.2 | R838 M839 L840 W958 E1057 | R838-S956 PolarHBondContact O-N 2.69Å; M839-S956 CarbonylContact C-O 3.6Å; M839-S956 VanDerWaalsContact CA-O 3.3Å; M839-S956 WeakPolarHBondContact CA-O 3.1Å; L840-S956 PolarHBondContact N-O 2.74Å; S956-W958 PolarHBondContact OG-NE1 2.8Å; S956-E1057 WeakPolarHBondContact OG-CG 3.34Å; S956-E1057 PolarHBondContact OG-OE1 3.39Å |
| 957 | I | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.6 | -174.8 | -62.9 | 172.2 | 0 | 0 | 0 | 109.3 | L840 F886 R887 V890 L959 V984 N985 | L840-I957 HydrophobicContact CB-CG1 4.27Å; L840-I957 HydrophobicContact CD1-CG1 4.2Å; F886-I957 HydrophobicContact CB-CD1 4.12Å; F886-I957 HydrophobicContact CB-CG2 4.19Å; R887-I957 HydrophobicContact CB-CD1 3.72Å; R887-I957 HydrophobicContact CG-CD1 4.44Å; V890-I957 HydrophobicContact CB-CD1 4.49Å; V890-I957 HydrophobicContact CG2-CD1 4.2Å; I957-L959 HydrophobicContact CG2-CD1 3.79Å; I957-V984 HydrophobicContact CG2-CG1 4.26Å; I957-N985 WeakPolarHBondContact O-CB 3.4Å; I957-N985 PolarHBondContact O-N 3.13Å; I957-N985 PolarHBondContact O-ND2 3.42Å |
| 958 | W | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125 | -176.7 | -75.1 | 82 | 0 | 0 | 0 | 111.8 | L831 Y835 M839 L840 I841 A842 S956 I960 N985 L987 I1053 E1057 I1065 | L831-W958 HydrophobicContact CD1-CD2 3.69Å; L831-W958 HydrophobicContact CD1-CE3 4.02Å; L831-W958 HydrophobicContact CD1-CG 4.39Å; L831-W958 HydrophobicContact CD1-CH2 3.67Å; L831-W958 HydrophobicContact CD1-CZ2 3.31Å; L831-W958 HydrophobicContact CD1-CZ3 4Å; L831-W958 HydrophobicContact CD2-CB 4.37Å; L831-W958 HydrophobicContact CD2-CD2 3.58Å; L831-W958 HydrophobicContact CD2-CE3 3.61Å; L831-W958 HydrophobicContact CD2-CG 3.9Å; L831-W958 HydrophobicContact CD2-CZ3 4.17Å; L831-W958 HydrophobicContact CG-CD2 4.21Å; L831-W958 HydrophobicContact CG-CE3 4.47Å; Y835-W958 HydrophobicContact CD2-CZ2 4.4Å; Y835-W958 HydrophobicContact CE2-CZ2 4.44Å; M839-W958 HydrophobicContact CG-CB 4.45Å; M839-W958 HydrophobicContact CG-CG 4.35Å; M839-W958 HydrophobicContact SD-CB 4.49Å; M839-W958 HydrophobicContact SD-CG 4.31Å; L840-W958 PolarHBondContact O-N 2.99Å; I841-W958 CarbonylContact C-O 3.49Å; I841-W958 VanDerWaalsContact CA-O 3.32Å; I841-W958 WeakPolarHBondContact CA-O 3.44Å; A842-W958 PolarHBondContact N-O 3.3Å; S956-W958 PolarHBondContact OG-NE1 2.8Å; W958-I960 HydrophobicContact CB-CG1 4.34Å; W958-N985 CarbonylContact C-O 3.04Å; W958-N985 VanDerWaalsContact CA-O 3.25Å; W958-N985 WeakPolarHBondContact CA-O 3.47Å; W958-N985 HydrophobicContact CD2-CB 3.55Å; W958-N985 HydrophobicContact CE3-CB 3.64Å; W958-N985 HydrophobicContact CG-CB 4.19Å; W958-N985 HydrophobicContact CH2-CB 3.83Å; W958-N985 HydrophobicContact CZ2-CB 3.72Å; W958-N985 HydrophobicContact CZ3-CB 3.79Å; W958-L987 HydrophobicContact CE3-CB 4.04Å; W958-L987 HydrophobicContact CZ3-CB 4.08Å; W958-I1053 HydrophobicContact CH2-CG2 4.14Å; W958-I1053 HydrophobicContact CZ2-CG2 4.36Å; W958-E1057 HydrophobicContact CZ2-CB 4.23Å; W958-E1057 HydrophobicContact CZ2-CG 4.42Å; W958-I1065 HydrophobicContact CH2-CD1 3.85Å; W958-I1065 HydrophobicContact CZ3-CD1 4.03Å |
| 959 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 102.9 | 175.4 | -73.9 | 57.4 | 0 | 0 | 0 | 106.8 | A842 A880 I957 W965 V977 V984 N985 I986 L987 | A842-L959 HydrophobicContact CB-CG 4.31Å; A842-L959 CarbonylContact O-C 3.55Å; A842-L959 VanDerWaalsContact O-CA 3.3Å; A842-L959 WeakPolarHBondContact O-CA 3.34Å; A880-L959 HydrophobicContact CB-CD2 4.38Å; I957-L959 HydrophobicContact CG2-CD1 3.79Å; L959-W965 HydrophobicContact CB-CH2 4.3Å; L959-V977 HydrophobicContact CD2-CG1 4.47Å; L959-V984 HydrophobicContact CD1-CB 4.18Å; L959-V984 HydrophobicContact CD1-CG1 4.48Å; L959-N985 PolarHBondContact N-O 3.17Å; L959-I986 HydrophobicContact CB-CG1 4.09Å; L959-I986 HydrophobicContact CD2-CD1 4.16Å; L959-I986 HydrophobicContact CD2-CG1 3.98Å; L959-I986 CarbonylContact O-C 3.6Å; L959-I986 WeakPolarHBondContact O-CA 3.42Å; L959-L987 PolarHBondContact O-N 2.99Å |
| 960 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.3 | -175 | -55.2 | -177.8 | 0 | 0 | 0 | 109 | I828 L831 I841 A842 N843 A844 N879 W958 L987 L989 | I828-I960 HydrophobicContact CD1-CG2 4.42Å; I828-I960 HydrophobicContact CG1-CD1 4.49Å; L831-I960 HydrophobicContact CD2-CD1 4.07Å; I841-I960 HydrophobicContact CD1-CD1 4.24Å; I841-I960 HydrophobicContact CG1-CD1 4.45Å; I841-I960 HydrophobicContact CG2-CB 4.45Å; I841-I960 HydrophobicContact CG2-CD1 3.77Å; I841-I960 HydrophobicContact CG2-CG1 4.06Å; A842-I960 PolarHBondContact O-N 3.06Å; N843-I960 CarbonylContact C-O 3.51Å; N843-I960 WeakPolarHBondContact CA-O 3.27Å; N843-I960 PolarHBondContact OD1-O 2.86Å; N843-I960 VanDerWaalsContact OD1-O 3.08Å; A844-I960 PolarHBondContact N-O 3.01Å; N879-I960 PolarHBondContact ND2-O 2.77Å; N879-I960 VanDerWaalsContact ND2-O 3.13Å; W958-I960 HydrophobicContact CB-CG1 4.34Å; I960-L987 WeakPolarHBondContact CA-O 3.48Å; I960-L987 HydrophobicContact CG1-CB 4.38Å; I960-L989 HydrophobicContact CG2-CD1 3.68Å; I960-L989 HydrophobicContact CG2-CG 4.39Å |
| 961 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | 164.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L987 V988 L989 | G961-L987 PolarHBondContact N-O 3.33Å; G961-L987 VanDerWaalsContact N-O 3.1Å; G961-V988 CarbonylContact O-C 3.6Å; G961-V988 WeakPolarHBondContact O-CA 3.37Å; G961-L989 PolarHBondContact O-N 2.89Å |
| 962 | G | 98.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 15.4 Ų | 15.4 | 18% | 0.175 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 177 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G964 W965 A966 L989 | G962-G964 VanDerWaalsContact C-N 3.31Å; G962-G964 PolarHBondContact O-N 3Å; G962-W965 PolarHBondContact O-N 3.24Å; G962-A966 PolarHBondContact O-N 3.29Å; G962-L989 WeakPolarHBondContact CA-O 3.22Å |
| 963 | D | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.5 | -34.2 | 177.6 | 56.1 | -76.3 | 0 | 0 | 0 | 113.5 | W965 A966 Y967 L989 D990 T991 Q992 C993 S1002 A1004 | D963-W965 VanDerWaalsContact C-N 3.29Å; D963-W965 PolarHBondContact O-N 3.44Å; D963-A966 PolarHBondContact O-N 2.65Å; D963-Y967 HydrophobicContact CB-CD2 3.78Å; D963-Y967 HydrophobicContact CB-CE2 3.97Å; D963-Y967 VanDerWaalsContact O-CB 3.31Å; D963-Y967 WeakPolarHBondContact O-CB 3.44Å; D963-Y967 VanDerWaalsContact O-CD2 3.29Å; D963-Y967 WeakPolarHBondContact O-CD2 3.36Å; D963-Y967 PolarHBondContact O-N 3.06Å; D963-L989 PolarHBondContact N-O 3.3Å; D963-D990 HydrophobicContact CB-CB 4.48Å; D963-T991 PolarHBondContact OD1-N 2.97Å; D963-T991 PolarHBondContact OD1-OG1 3.46Å; D963-Q992 PolarHBondContact OD1-N 3.46Å; D963-Q992 VanDerWaalsContact OD1-N 3.16Å; D963-C993 PolarHBondContact OD2-N 2.95Å; D963-S1002 VanDerWaalsContact OD2-CB 3.23Å; D963-S1002 WeakPolarHBondContact OD2-CB 3.46Å; D963-S1002 PolarHBondContact OD2-OG 3.45Å; D963-A1004 HydrophobicContact CB-CB 3.69Å |
| 964 | G | 97.4 | Very high | 98.2 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 5% | 0.052 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -62.5 | -33.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G962 D968 I969 | G962-G964 VanDerWaalsContact C-N 3.31Å; G962-G964 PolarHBondContact O-N 3Å; G964-D968 WeakPolarHBondContact O-CB 3.22Å; G964-D968 PolarHBondContact O-N 2.86Å; G964-I969 PolarHBondContact O-N 3.4Å |
| 965 | W | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -69.5 | -56.8 | 171.6 | 161.7 | 63.4 | 0 | 0 | 0 | 110.6 | A844 F876 N879 A880 L959 G962 D963 Y967 G970 F971 L974 I986 V988 | A844-W965 HydrophobicContact CB-CB 3.86Å; A844-W965 HydrophobicContact CB-CD2 3.83Å; A844-W965 HydrophobicContact CB-CE3 4.32Å; A844-W965 HydrophobicContact CB-CG 3.61Å; F876-W965 HydrophobicContact CD2-CB 4.05Å; F876-W965 HydrophobicContact CE2-CB 3.66Å; N879-W965 HydrophobicContact CB-CD2 4.48Å; N879-W965 HydrophobicContact CB-CZ2 3.87Å; N879-W965 WeakPolarHBondContact ND2-CZ2 3.44Å; A880-W965 HydrophobicContact CB-CZ2 3.98Å; L959-W965 HydrophobicContact CB-CH2 4.3Å; G962-W965 PolarHBondContact O-N 3.24Å; D963-W965 VanDerWaalsContact C-N 3.29Å; D963-W965 PolarHBondContact O-N 3.44Å; W965-Y967 PolarHBondContact O-N 3.18Å; W965-G970 CarbonylContact O-C 3.58Å; W965-G970 WeakPolarHBondContact O-CA 3.41Å; W965-G970 PolarHBondContact O-N 3.45Å; W965-F971 PolarHBondContact O-N 3.44Å; W965-L974 HydrophobicContact CH2-CD1 3.92Å; W965-L974 HydrophobicContact CZ2-CD1 4.19Å; W965-L974 HydrophobicContact CZ3-CD1 4.18Å; W965-I986 HydrophobicContact CH2-CG2 3.71Å; W965-I986 HydrophobicContact CZ3-CG2 3.88Å; W965-V988 HydrophobicContact CZ3-CG2 4.43Å |
| 966 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -70.9 | -31.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G962 D963 F971 L974 V988 L1025 | G962-A966 PolarHBondContact O-N 3.29Å; D963-A966 PolarHBondContact O-N 2.65Å; A966-F971 WeakPolarHBondContact O-CB 3.42Å; A966-F971 WeakPolarHBondContact O-CD2 3.33Å; A966-L974 HydrophobicContact CB-CD1 3.86Å; A966-V988 HydrophobicContact CB-CB 4.29Å; A966-V988 HydrophobicContact CB-CG1 3.69Å; A966-V988 HydrophobicContact CB-CG2 3.54Å; A966-L1025 HydrophobicContact CB-CD2 4.1Å |
| 967 | Y | 98.5 | Very high | 98.5 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -96.7 | -26.1 | -175.3 | -71.1 | -102.7 | 0 | 0 | 0 | 113.4 | D963 W965 V988 D990 K1003 A1004 K1023 L1025 | D963-Y967 HydrophobicContact CB-CD2 3.78Å; D963-Y967 HydrophobicContact CB-CE2 3.97Å; D963-Y967 VanDerWaalsContact O-CB 3.31Å; D963-Y967 WeakPolarHBondContact O-CB 3.44Å; D963-Y967 VanDerWaalsContact O-CD2 3.29Å; D963-Y967 WeakPolarHBondContact O-CD2 3.36Å; D963-Y967 PolarHBondContact O-N 3.06Å; W965-Y967 PolarHBondContact O-N 3.18Å; Y967-V988 HydrophobicContact CE2-CG1 4.01Å; Y967-D990 WeakPolarHBondContact CE2-OD2 3.47Å; Y967-D990 PolarHBondContact OH-OD2 2.92Å; Y967-K1003 VanDerWaalsContact O-CE 3.22Å; Y967-K1003 WeakPolarHBondContact O-CE 3.45Å; Y967-A1004 HydrophobicContact CD1-CB 4.04Å; Y967-A1004 HydrophobicContact CD2-CB 3.88Å; Y967-A1004 HydrophobicContact CE1-CB 4.03Å; Y967-A1004 HydrophobicContact CE2-CB 3.84Å; Y967-A1004 HydrophobicContact CG-CB 3.95Å; Y967-K1023 HydrophobicContact CD1-CB 3.99Å; Y967-K1023 HydrophobicContact CD1-CD 4.05Å; Y967-K1023 HydrophobicContact CD1-CG 4.01Å; Y967-K1023 HydrophobicContact CE1-CB 4.46Å; Y967-K1023 HydrophobicContact CE1-CG 4.5Å; Y967-K1023 WeakPolarHBondContact CE1-O 3.46Å; Y967-K1023 PolarHBondContact O-NZ 2.98Å; Y967-L1025 HydrophobicContact CD1-CB 3.98Å; Y967-L1025 HydrophobicContact CD2-CD2 4.27Å; Y967-L1025 HydrophobicContact CE1-CB 3.36Å; Y967-L1025 HydrophobicContact CE1-CD2 4.37Å; Y967-L1025 HydrophobicContact CE1-CG 4.47Å; Y967-L1025 HydrophobicContact CE2-CB 4.38Å; Y967-L1025 HydrophobicContact CE2-CD2 3.96Å |
| 968 | D | 98.5 | Very high | 98.5 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 5% | 0.053 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -117.3 | -90 | -172.9 | -55.4 | -51.9 | 0 | 0 | 0 | 112.5 | Q58 G964 F971 Y994 S1002 K1003 | Q58-D968 HydrophobicContact CB-CB 4.42Å; G964-D968 WeakPolarHBondContact O-CB 3.22Å; G964-D968 PolarHBondContact O-N 2.86Å; D968-F971 WeakPolarHBondContact O-CB 3.35Å; D968-F971 PolarHBondContact O-N 2.72Å; D968-Y994 WeakPolarHBondContact CB-OH 3.39Å; D968-Y994 WeakPolarHBondContact OD2-CE1 3.39Å; D968-Y994 PolarHBondContact OD2-OH 3.29Å; D968-S1002 WeakPolarHBondContact OD2-CA 3.42Å; D968-S1002 WeakPolarHBondContact OD2-CB 3.45Å; D968-K1003 WeakPolarHBondContact OD1-CB 3.47Å; D968-K1003 WeakPolarHBondContact OD1-CD 3.47Å; D968-K1003 WeakPolarHBondContact OD1-CE 3.39Å; D968-K1003 WeakPolarHBondContact OD1-CG 3.2Å; D968-K1003 PolarHBondContact OD1-N 3.24Å; D968-K1003 IonicContact OD1-NZ 3.2Å; D968-K1003 PolarHBondContact OD1-NZ 3.01Å; D968-K1003 PolarHBondContact OD2-N 2.87Å |
| 969 | I | 98.7 | Very high | 98.5 | Very high | 21 Ų | 21 | 17.8 Ų | 17.8 | 11% | 0.108 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -72.2 | -40.6 | -162.7 | -171.5 | 160.1 | 0 | 0 | 0 | 113.4 | Y24 Q58 L88 F876 E877 G964 | Y24-I969 HydrophobicContact CE1-CD1 4Å; Q58-I969 VanDerWaalsContact O-CA 3.28Å; Q58-I969 WeakPolarHBondContact O-CA 3.39Å; Q58-I969 WeakPolarHBondContact O-CB 3.45Å; Q58-I969 PolarHBondContact O-N 3.41Å; L88-I969 HydrophobicContact CD1-CD1 4.1Å; F876-I969 HydrophobicContact CD1-CD1 4.04Å; F876-I969 HydrophobicContact CD1-CG2 3.69Å; F876-I969 HydrophobicContact CD2-CG2 3.83Å; F876-I969 HydrophobicContact CE1-CG2 3.62Å; F876-I969 HydrophobicContact CE2-CG2 3.76Å; F876-I969 HydrophobicContact CG-CG2 3.79Å; F876-I969 HydrophobicContact CZ-CG2 3.64Å; E877-I969 HydrophobicContact CB-CD1 4.14Å; E877-I969 HydrophobicContact CB-CG1 3.76Å; G964-I969 PolarHBondContact O-N 3.4Å |
| 970 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E877 W965 G972 G973 L974 | E877-G970 WeakPolarHBondContact O-CA 3.18Å; W965-G970 CarbonylContact O-C 3.58Å; W965-G970 WeakPolarHBondContact O-CA 3.41Å; W965-G970 PolarHBondContact O-N 3.45Å; G970-G972 VanDerWaalsContact C-N 3.3Å; G970-G972 PolarHBondContact O-N 3.43Å; G970-G973 PolarHBondContact O-N 2.97Å; G970-L974 WeakPolarHBondContact O-CB 3.32Å; G970-L974 PolarHBondContact O-N 2.98Å |
| 971 | F | 98.6 | Very high | 98.3 | Very high | 54 Ų | 54 | 25 Ų | 25 | 24% | 0.237 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | -176.2 | 175.8 | -113.2 | 0 | 0 | 0 | 112.7 | W965 A966 D968 L974 D975 L1025 M1029 | W965-F971 PolarHBondContact O-N 3.44Å; A966-F971 WeakPolarHBondContact O-CB 3.42Å; A966-F971 WeakPolarHBondContact O-CD2 3.33Å; D968-F971 WeakPolarHBondContact O-CB 3.35Å; D968-F971 PolarHBondContact O-N 2.72Å; F971-L974 HydrophobicContact CD2-CD2 4.26Å; F971-L974 HydrophobicContact CE2-CD2 4.46Å; F971-L974 PolarHBondContact O-N 3.45Å; F971-D975 HydrophobicContact CE2-CB 4.35Å; F971-D975 HydrophobicContact CZ-CB 4.27Å; F971-D975 VanDerWaalsContact O-CB 3.31Å; F971-D975 WeakPolarHBondContact O-CB 3.4Å; F971-D975 PolarHBondContact O-N 2.93Å; F971-L1025 HydrophobicContact CD2-CD1 4.06Å; F971-L1025 HydrophobicContact CE2-CD1 3.7Å; F971-M1029 HydrophobicContact CE2-CE 3.84Å; F971-M1029 HydrophobicContact CZ-CE 4.03Å |
| 972 | G | 98.2 | Very high | 98.3 | Very high | 51 Ų | 51 | 27.5 Ų | 27.5 | 53% | 0.526 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | G970 H976 | G970-G972 VanDerWaalsContact C-N 3.3Å; G970-G972 PolarHBondContact O-N 3.43Å; G972-H976 WeakPolarHBondContact O-CB 3.44Å; G972-H976 PolarHBondContact O-N 3.13Å; G972-H976 VanDerWaalsContact O-N 3.1Å |
| 973 | G | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E881 G970 H976 V977 | E881-G973 VanDerWaalsContact CD-CA 3.44Å; E881-G973 WeakPolarHBondContact OE1-CA 3.22Å; G970-G973 PolarHBondContact O-N 2.97Å; G973-H976 PolarHBondContact O-N 3.12Å; G973-V977 WeakPolarHBondContact O-CG2 3.22Å; G973-V977 PolarHBondContact O-N 3.42Å |
| 974 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 178.1 | 179 | 143.2 | 0 | 0 | 0 | 112.1 | A880 W965 A966 G970 F971 H976 V977 L978 I986 L1025 M1029 | A880-L974 HydrophobicContact CB-CB 4.3Å; W965-L974 HydrophobicContact CH2-CD1 3.92Å; W965-L974 HydrophobicContact CZ2-CD1 4.19Å; W965-L974 HydrophobicContact CZ3-CD1 4.18Å; A966-L974 HydrophobicContact CB-CD1 3.86Å; G970-L974 WeakPolarHBondContact O-CB 3.32Å; G970-L974 PolarHBondContact O-N 2.98Å; F971-L974 HydrophobicContact CD2-CD2 4.26Å; F971-L974 HydrophobicContact CE2-CD2 4.46Å; F971-L974 PolarHBondContact O-N 3.45Å; L974-H976 VanDerWaalsContact C-N 3.35Å; L974-V977 PolarHBondContact O-N 3.11Å; L974-L978 HydrophobicContact CD2-CD1 3.62Å; L974-L978 HydrophobicContact CG-CD1 4.03Å; L974-L978 WeakPolarHBondContact O-CB 2.86Å; L974-L978 WeakPolarHBondContact O-CG 3.36Å; L974-L978 PolarHBondContact O-N 3.21Å; L974-I986 HydrophobicContact CD1-CD1 4.13Å; L974-I986 HydrophobicContact CD1-CG2 4.08Å; L974-I986 HydrophobicContact CG-CD1 4.07Å; L974-L1025 HydrophobicContact CD2-CD1 3.95Å; L974-M1029 HydrophobicContact CD2-SD 4.31Å |
| 975 | D | 98.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 28.2 Ų | 28.2 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 175.1 | 175.3 | 67 | 0 | 0 | 0 | 110.9 | F971 V977 L978 S979 Y1032 | F971-D975 HydrophobicContact CE2-CB 4.35Å; F971-D975 HydrophobicContact CZ-CB 4.27Å; F971-D975 VanDerWaalsContact O-CB 3.31Å; F971-D975 WeakPolarHBondContact O-CB 3.4Å; F971-D975 PolarHBondContact O-N 2.93Å; D975-V977 PolarHBondContact O-N 3.08Å; D975-L978 PolarHBondContact O-N 2.61Å; D975-S979 WeakPolarHBondContact O-CB 3.38Å; D975-S979 PolarHBondContact O-N 3.27Å; D975-Y1032 WeakPolarHBondContact OD1-CE2 3.42Å; D975-Y1032 PolarHBondContact OD1-OH 3.19Å; D975-Y1032 PolarHBondContact OD2-OH 2.93Å |
| 976 | H | 98.6 | Very high | 98.3 | Very high | 112 Ų | 112 | 28.2 Ų | 28.2 | 52% | 0.519 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.7 | -48.8 | 178.7 | -168.6 | 75.7 | 0 | 0 | 0 | 112.1 | G972 G973 L974 L978 S979 L980 | G972-H976 WeakPolarHBondContact O-CB 3.44Å; G972-H976 PolarHBondContact O-N 3.13Å; G972-H976 VanDerWaalsContact O-N 3.1Å; G973-H976 PolarHBondContact O-N 3.12Å; L974-H976 VanDerWaalsContact C-N 3.35Å; H976-L978 PolarHBondContact O-N 2.84Å; H976-S979 WeakPolarHBondContact O-CB 3.23Å; H976-S979 PolarHBondContact O-N 3.48Å; H976-S979 PolarHBondContact O-OG 2.83Å; H976-L980 PolarHBondContact O-N 2.95Å |
| 977 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | -179.1 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | A880 L884 L959 G973 L974 D975 S979 L980 V984 | A880-V977 HydrophobicContact CB-CB 4.18Å; A880-V977 HydrophobicContact CB-CG2 3.83Å; L884-V977 HydrophobicContact CB-CG1 4.38Å; L884-V977 HydrophobicContact CB-CG2 4.06Å; L884-V977 HydrophobicContact CD2-CG2 4.13Å; L959-V977 HydrophobicContact CD2-CG1 4.47Å; G973-V977 WeakPolarHBondContact O-CG2 3.22Å; G973-V977 PolarHBondContact O-N 3.42Å; L974-V977 PolarHBondContact O-N 3.11Å; D975-V977 PolarHBondContact O-N 3.08Å; V977-S979 VanDerWaalsContact C-N 3.28Å; V977-S979 PolarHBondContact O-N 3.06Å; V977-L980 WeakPolarHBondContact O-CB 3.44Å; V977-L980 PolarHBondContact O-N 2.79Å; V977-V984 HydrophobicContact CG1-CG2 3.83Å |
| 978 | L | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.4 | -25.6 | 175.9 | -70.5 | 176 | 0 | 0 | 0 | 112.7 | L974 D975 H976 L980 I986 M1029 H1034 V1035 P1062 L1064 | L974-L978 HydrophobicContact CD2-CD1 3.62Å; L974-L978 HydrophobicContact CG-CD1 4.03Å; L974-L978 WeakPolarHBondContact O-CB 2.86Å; L974-L978 WeakPolarHBondContact O-CG 3.36Å; L974-L978 PolarHBondContact O-N 3.21Å; D975-L978 PolarHBondContact O-N 2.61Å; H976-L978 PolarHBondContact O-N 2.84Å; L978-L980 PolarHBondContact O-N 2.83Å; L978-I986 HydrophobicContact CD1-CD1 4.17Å; L978-I986 HydrophobicContact CD2-CD1 3.64Å; L978-I986 HydrophobicContact CD2-CG1 4.24Å; L978-I986 HydrophobicContact CG-CD1 3.77Å; L978-M1029 HydrophobicContact CB-SD 4.33Å; L978-M1029 HydrophobicContact CD1-CB 4.38Å; L978-M1029 HydrophobicContact CD1-CG 3.77Å; L978-M1029 HydrophobicContact CD1-SD 3.62Å; L978-H1034 PolarHBondContact O-NE2 3.31Å; L978-V1035 HydrophobicContact CB-CG2 4.34Å; L978-V1035 HydrophobicContact CD2-CG1 3.93Å; L978-V1035 WeakPolarHBondContact O-CG2 3.46Å; L978-P1062 HydrophobicContact CD2-CB 3.78Å; L978-L1064 HydrophobicContact CD1-CB 4.25Å; L978-L1064 HydrophobicContact CD1-CD2 4.14Å; L978-L1064 HydrophobicContact CD2-CB 4.42Å |
| 979 | S | 97.9 | Very high | 98.3 | Very high | 40 Ų | 40 | 27.7 Ų | 27.7 | 28% | 0.28 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -69.8 | -20.7 | 175.5 | 81.3 | 0 | 0 | 0 | 0 | 113.4 | D975 H976 V977 H1034 | D975-S979 WeakPolarHBondContact O-CB 3.38Å; D975-S979 PolarHBondContact O-N 3.27Å; H976-S979 WeakPolarHBondContact O-CB 3.23Å; H976-S979 PolarHBondContact O-N 3.48Å; H976-S979 PolarHBondContact O-OG 2.83Å; V977-S979 VanDerWaalsContact C-N 3.28Å; V977-S979 PolarHBondContact O-N 3.06Å; S979-H1034 PolarHBondContact O-NE2 2.99Å |
| 980 | L | 97.5 | Very high | 98.4 | Very high | 48 Ų | 48 | 26.7 Ų | 26.7 | 25% | 0.251 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -75.5 | -174.4 | 175.1 | -56.8 | 177.7 | 0 | 0 | 0 | 111.2 | L884 H976 V977 L978 H1034 P1062 | L884-L980 HydrophobicContact CD1-CD1 4.11Å; L884-L980 HydrophobicContact CD2-CD1 3.7Å; H976-L980 PolarHBondContact O-N 2.95Å; V977-L980 WeakPolarHBondContact O-CB 3.44Å; V977-L980 PolarHBondContact O-N 2.79Å; L978-L980 PolarHBondContact O-N 2.83Å; L980-H1034 PolarHBondContact O-CD2 3.26Å; L980-H1034 PolarHBondContact O-NE2 3.21Å; L980-P1062 WeakPolarHBondContact O-CG 3.45Å |
| 981 | T | 96.5 | Very high | 98.3 | Very high | 102 Ų | 102 | 26.9 Ų | 26.9 | 63% | 0.626 | 16% | 0.156 | S | C | * | . | trans | -109.2 | 5 | -178.4 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 982 | E | 97.8 | Very high | 98.3 | Very high | 53 Ų | 53 | 24.3 Ų | 24.3 | 25% | 0.248 | 15% | 0.145 | C | C | . | . | trans | -82.1 | 136.4 | -160.4 | -89.8 | 66 | 153 | 0 | 0 | 108.7 | L884 R887 V984 G1061 | L884-E982 HydrophobicContact CD1-CB 4.05Å; L884-E982 HydrophobicContact CD1-CG 4.15Å; R887-E982 HydrophobicContact CG-CB 4.03Å; R887-E982 HydrophobicContact CG-CG 4.32Å; E982-V984 PolarHBondContact O-N 3.07Å; E982-G1061 CarbonylContact O-C 3.52Å | ||
| 983 | N | 97.9 | Very high | 98.2 | Very high | 37 Ų | 37 | 22 Ų | 22 | 20% | 0.198 | 12% | 0.121 | C | C | . | . | trans | -73.7 | 89.8 | -176.4 | -175.6 | -6.6 | 0 | 0 | 0 | 110.9 | R887 Y1059 | R887-N983 WeakPolarHBondContact CD-O 3.39Å; N983-Y1059 PolarHBondContact OD1-O 3.29Å | ||
| 984 | V | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -128.5 | 142.8 | 174.1 | -64.7 | 0 | 0 | 0 | 0 | 110 | R887 I957 L959 V977 E982 S1063 | R887-V984 HydrophobicContact CB-CG1 3.69Å; R887-V984 HydrophobicContact CG-CG1 3.95Å; I957-V984 HydrophobicContact CG2-CG1 4.26Å; L959-V984 HydrophobicContact CD1-CB 4.18Å; L959-V984 HydrophobicContact CD1-CG1 4.48Å; V977-V984 HydrophobicContact CG1-CG2 3.83Å; E982-V984 PolarHBondContact O-N 3.07Å; V984-S1063 PolarHBondContact O-N 3.26Å | ||
| 985 | N | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121 | 178.6 | -60.1 | -81.4 | 0 | 0 | 0 | 109.9 | I957 W958 L959 A1056 E1057 S1063 | I957-N985 WeakPolarHBondContact O-CB 3.4Å; I957-N985 PolarHBondContact O-N 3.13Å; I957-N985 PolarHBondContact O-ND2 3.42Å; W958-N985 CarbonylContact C-O 3.04Å; W958-N985 VanDerWaalsContact CA-O 3.25Å; W958-N985 WeakPolarHBondContact CA-O 3.47Å; W958-N985 HydrophobicContact CD2-CB 3.55Å; W958-N985 HydrophobicContact CE3-CB 3.64Å; W958-N985 HydrophobicContact CG-CB 4.19Å; W958-N985 HydrophobicContact CH2-CB 3.83Å; W958-N985 HydrophobicContact CZ2-CB 3.72Å; W958-N985 HydrophobicContact CZ3-CB 3.79Å; L959-N985 PolarHBondContact N-O 3.17Å; N985-A1056 PolarHBondContact OD1-O 2.74Å; N985-A1056 VanDerWaalsContact OD1-O 3.06Å; N985-E1057 WeakPolarHBondContact OD1-CA 3.48Å; N985-S1063 WeakPolarHBondContact OD1-CB 3.18Å |
| 986 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.8 | 177.4 | -53.7 | -169.8 | 0 | 0 | 0 | 109.3 | L959 W965 L974 L978 V988 S1063 L1064 I1065 | L959-I986 HydrophobicContact CB-CG1 4.09Å; L959-I986 HydrophobicContact CD2-CD1 4.16Å; L959-I986 HydrophobicContact CD2-CG1 3.98Å; L959-I986 CarbonylContact O-C 3.6Å; L959-I986 WeakPolarHBondContact O-CA 3.42Å; W965-I986 HydrophobicContact CH2-CG2 3.71Å; W965-I986 HydrophobicContact CZ3-CG2 3.88Å; L974-I986 HydrophobicContact CD1-CD1 4.13Å; L974-I986 HydrophobicContact CD1-CG2 4.08Å; L974-I986 HydrophobicContact CG-CD1 4.07Å; L978-I986 HydrophobicContact CD1-CD1 4.17Å; L978-I986 HydrophobicContact CD2-CD1 3.64Å; L978-I986 HydrophobicContact CD2-CG1 4.24Å; L978-I986 HydrophobicContact CG-CD1 3.77Å; I986-V988 HydrophobicContact CG2-CG2 4.03Å; I986-S1063 WeakPolarHBondContact CB-O 3.44Å; I986-S1063 PolarHBondContact N-O 3.2Å; I986-L1064 HydrophobicContact CB-CD1 4.01Å; I986-L1064 HydrophobicContact CG2-CD1 3.81Å; I986-I1065 PolarHBondContact O-N 3.38Å |
| 987 | L | 98.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 107.6 | 171.2 | 177.7 | 61.5 | 0 | 0 | 0 | 109.8 | L831 W958 L959 I960 G961 L989 I1065 A1067 | L831-L987 HydrophobicContact CD2-CD2 4.25Å; W958-L987 HydrophobicContact CE3-CB 4.04Å; W958-L987 HydrophobicContact CZ3-CB 4.08Å; L959-L987 PolarHBondContact O-N 2.99Å; I960-L987 WeakPolarHBondContact CA-O 3.48Å; I960-L987 HydrophobicContact CG1-CB 4.38Å; G961-L987 PolarHBondContact N-O 3.33Å; G961-L987 VanDerWaalsContact N-O 3.1Å; L987-L989 HydrophobicContact CD2-CD2 4.13Å; L987-L989 HydrophobicContact CG-CD2 4.15Å; L987-L989 HydrophobicContact CG-CG 4.42Å; L987-I1065 HydrophobicContact CD1-CB 4.06Å; L987-I1065 HydrophobicContact CD1-CG2 3.82Å; L987-A1067 HydrophobicContact CD1-CB 3.99Å |
| 988 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.6 | 173.2 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | G961 W965 A966 Y967 I986 D990 L1025 L1064 I1065 A1067 | G961-V988 CarbonylContact O-C 3.6Å; G961-V988 WeakPolarHBondContact O-CA 3.37Å; W965-V988 HydrophobicContact CZ3-CG2 4.43Å; A966-V988 HydrophobicContact CB-CB 4.29Å; A966-V988 HydrophobicContact CB-CG1 3.69Å; A966-V988 HydrophobicContact CB-CG2 3.54Å; Y967-V988 HydrophobicContact CE2-CG1 4.01Å; I986-V988 HydrophobicContact CG2-CG2 4.03Å; V988-D990 PolarHBondContact O-N 3.16Å; V988-L1025 HydrophobicContact CG2-CD2 4.29Å; V988-L1064 HydrophobicContact CG2-CD1 3.68Å; V988-I1065 PolarHBondContact N-O 3.16Å; V988-A1067 PolarHBondContact O-N 2.84Å |
| 989 | L | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 86.6 | 175.4 | -61 | 165 | 0 | 0 | 0 | 108.2 | E824 Y827 I828 I960 G961 G962 D963 L987 T991 | E824-L989 HydrophobicContact CB-CB 4.47Å; E824-L989 HydrophobicContact CB-CD1 4.11Å; E824-L989 HydrophobicContact CB-CD2 4.25Å; E824-L989 HydrophobicContact CG-CB 4.06Å; E824-L989 HydrophobicContact CG-CD1 4.41Å; Y827-L989 HydrophobicContact CD2-CD2 4.16Å; I828-L989 HydrophobicContact CD1-CD1 4.09Å; I828-L989 HydrophobicContact CG1-CD1 4.45Å; I960-L989 HydrophobicContact CG2-CD1 3.68Å; I960-L989 HydrophobicContact CG2-CG 4.39Å; G961-L989 PolarHBondContact O-N 2.89Å; G962-L989 WeakPolarHBondContact CA-O 3.22Å; D963-L989 PolarHBondContact N-O 3.3Å; L987-L989 HydrophobicContact CD2-CD2 4.13Å; L987-L989 HydrophobicContact CG-CD2 4.15Å; L987-L989 HydrophobicContact CG-CG 4.42Å; L989-T991 PolarHBondContact O-N 3.22Å; L989-T991 VanDerWaalsContact O-N 3.16Å |
| 990 | D | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 98.5 | -169.9 | -164.3 | -26.6 | 0 | 0 | 0 | 110.8 | D963 Y967 V988 Q992 I1066 A1067 S1069 W1094 | D963-D990 HydrophobicContact CB-CB 4.48Å; Y967-D990 WeakPolarHBondContact CE2-OD2 3.47Å; Y967-D990 PolarHBondContact OH-OD2 2.92Å; V988-D990 PolarHBondContact O-N 3.16Å; D990-Q992 WeakPolarHBondContact OD1-CA 3.35Å; D990-Q992 VanDerWaalsContact OD1-CG 3.31Å; D990-Q992 WeakPolarHBondContact OD1-CG 3.46Å; D990-Q992 PolarHBondContact OD1-N 2.67Å; D990-I1066 HydrophobicContact CB-CG2 3.99Å; D990-A1067 PolarHBondContact N-O 3.38Å; D990-S1069 PolarHBondContact O-N 2.97Å; D990-W1094 HydrophobicContact CB-CH2 3.82Å; D990-W1094 WeakPolarHBondContact OD2-CH2 3.09Å |
| 991 | T | 98.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | trans | -92 | -3.1 | 174 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | E824 D963 L989 C993 S995 S1069 C1071 H1074 | E824-T991 HydrophobicContact CG-CG2 4.05Å; E824-T991 VanDerWaalsContact OE1-CG2 3.29Å; E824-T991 WeakPolarHBondContact OE1-CG2 3.41Å; D963-T991 PolarHBondContact OD1-N 2.97Å; D963-T991 PolarHBondContact OD1-OG1 3.46Å; L989-T991 PolarHBondContact O-N 3.22Å; L989-T991 VanDerWaalsContact O-N 3.16Å; T991-C993 PolarHBondContact O-N 3.24Å; T991-C993 PolarHBondContact OG1-O 2.71Å; T991-S995 WeakPolarHBondContact CB-OG 3.44Å; T991-S995 PolarHBondContact OG1-OG 2.86Å; T991-S1069 WeakPolarHBondContact CA-O 3.16Å; T991-C1071 HydrophobicContact CG2-CB 4.33Å; T991-H1074 PolarHBondContact O-NE2 3.19Å | ||
| 992 | Q | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | S | Bend | trans | 59 | 21.7 | -178.4 | -47.2 | -178.3 | -58.8 | 0 | 0 | 114.6 | D963 D990 T1005 Y1068 R1131 | D963-Q992 PolarHBondContact OD1-N 3.46Å; D963-Q992 VanDerWaalsContact OD1-N 3.16Å; D990-Q992 WeakPolarHBondContact OD1-CA 3.35Å; D990-Q992 VanDerWaalsContact OD1-CG 3.31Å; D990-Q992 WeakPolarHBondContact OD1-CG 3.46Å; D990-Q992 PolarHBondContact OD1-N 2.67Å; Q992-T1005 VanDerWaalsContact O-CA 3.3Å; Q992-T1005 WeakPolarHBondContact O-CA 3.5Å; Q992-T1005 WeakPolarHBondContact O-CB 3.49Å; Q992-T1005 PolarHBondContact O-OG1 3.27Å; Q992-Y1068 HydrophobicContact CG-CE2 4.5Å; Q992-R1131 VanDerWaalsContact OE1-NH1 3.14Å |
| 993 | C | 96.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.02 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -165.6 | 167.9 | 173.8 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | D963 T991 S995 Q1000 T1011 | D963-C993 PolarHBondContact OD2-N 2.95Å; T991-C993 PolarHBondContact O-N 3.24Å; T991-C993 PolarHBondContact OG1-O 2.71Å; C993-S995 PolarHBondContact O-N 2.92Å; C993-S995 PolarHBondContact SG-OG 2.76Å; C993-Q1000 CarbonylContact C-O 3.52Å; C993-Q1000 VanDerWaalsContact CA-O 3.27Å; C993-Q1000 WeakPolarHBondContact CA-O 3.3Å; C993-Q1000 VanDerWaalsContact CB-O 3.27Å; C993-Q1000 WeakPolarHBondContact CB-O 3.45Å; C993-T1011 HydrophobicContact CB-CG2 4.12Å |
| 994 | Y | 96.7 | Very high | 96 | Very high | 12 Ų | 12 | 10.6 Ų | 10.6 | 5% | 0.047 | 6% | 0.06 | C | C | . | . | B | Isolated β-bridge | trans | -81.1 | 78.5 | 173.4 | -66.5 | 11.4 | 0 | 0 | 0 | 109.8 | Y24 P25 D968 N996 T997 G998 G999 Q1000 | Y24-Y994 HydrophobicContact CE1-CE2 4.47Å; Y24-Y994 AromaticContact CE2-CE2 3.85Å; Y24-Y994 HydrophobicContact CE2-CE2 3.85Å; Y24-Y994 AromaticContact CZ-CE2 3.67Å; Y24-Y994 VanDerWaalsContact OH-CE2 3.32Å; Y24-Y994 WeakPolarHBondContact OH-CE2 3.23Å; Y24-Y994 PolarHBondContact OH-OH 3.16Å; P25-Y994 HydrophobicContact CG-CD2 3.5Å; P25-Y994 VanDerWaalsContact CG-CD2 3.5Å; P25-Y994 HydrophobicContact CG-CE2 3.69Å; D968-Y994 WeakPolarHBondContact CB-OH 3.39Å; D968-Y994 WeakPolarHBondContact OD2-CE1 3.39Å; D968-Y994 PolarHBondContact OD2-OH 3.29Å; Y994-N996 PolarHBondContact O-N 3.39Å; Y994-N996 VanDerWaalsContact O-N 3.14Å; Y994-T997 WeakPolarHBondContact CB-OG1 3.44Å; Y994-T997 PolarHBondContact O-N 3.14Å; Y994-T997 PolarHBondContact O-OG1 3.24Å; Y994-G998 PolarHBondContact O-N 2.72Å; Y994-G999 PolarHBondContact O-N 3.46Å; Y994-Q1000 HydrophobicContact CD2-CB 4.42Å; Y994-Q1000 HydrophobicContact CG-CB 4.4Å; Y994-Q1000 PolarHBondContact N-O 3.34Å; Y994-Q1000 PolarHBondContact O-OE1 2.88Å |
| 995 | S | 94.5 | Very high | 96 | Very high | 6 Ų | 6 | 10.6 Ų | 10.6 | 4% | 0.042 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.7 | -172.7 | -69 | 0 | 0 | 0 | 0 | 114.2 | K459 C847 T991 C993 C1071 | K459-S995 PolarHBondContact NZ-O 3.34Å; C847-S995 WeakPolarHBondContact SG-CB 3.44Å; T991-S995 WeakPolarHBondContact CB-OG 3.44Å; T991-S995 PolarHBondContact OG1-OG 2.86Å; C993-S995 PolarHBondContact O-N 2.92Å; C993-S995 PolarHBondContact SG-OG 2.76Å; S995-C1071 PolarHBondContact OG-SG 3.25Å |
| 996 | N | 91.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 10.7 Ų | 10.7 | 28% | 0.283 | 6% | 0.061 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -40.5 | -177.5 | -169.7 | 55.2 | 0 | 0 | 0 | 113.4 | K459 C847 I850 Y994 G998 | K459-N996 WeakPolarHBondContact CE-OD1 3.34Å; C847-N996 PolarHBondContact SG-N 2.72Å; I850-N996 VanDerWaalsContact CG1-OD1 3.29Å; I850-N996 WeakPolarHBondContact CG1-OD1 3.3Å; Y994-N996 PolarHBondContact O-N 3.39Å; Y994-N996 VanDerWaalsContact O-N 3.14Å; N996-G998 VanDerWaalsContact C-N 3.29Å; N996-G998 PolarHBondContact O-N 3.3Å |
| 997 | T | 87.7 | Confident | 95.5 | Very high | 31 Ų | 31 | 11.9 Ų | 11.9 | 19% | 0.19 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.2 | -174.8 | 42.1 | 0 | 0 | 0 | 0 | 112.7 | Y994 Q1000 | Y994-T997 WeakPolarHBondContact CB-OG1 3.44Å; Y994-T997 PolarHBondContact O-N 3.14Å; Y994-T997 PolarHBondContact O-OG1 3.24Å; T997-Q1000 VanDerWaalsContact C-OE1 3.23Å; T997-Q1000 VanDerWaalsContact CB-OE1 3.24Å; T997-Q1000 PolarHBondContact O-NE2 2.85Å; T997-Q1000 PolarHBondContact O-OE1 3.1Å; T997-Q1000 PolarHBondContact OG1-OE1 3.49Å |
| 998 | G | 87.4 | Confident | 95.3 | Very high | 17 Ų | 17 | 11.7 Ų | 11.7 | 18% | 0.175 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | 31.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y994 N996 K1012 | Y994-G998 PolarHBondContact O-N 2.72Å; N996-G998 VanDerWaalsContact C-N 3.29Å; N996-G998 PolarHBondContact O-N 3.3Å; G998-K1012 WeakPolarHBondContact O-CD 3.31Å; G998-K1012 WeakPolarHBondContact O-CE 3.44Å; G998-K1012 PolarHBondContact O-NZ 2.97Å |
| 999 | G | 93.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 83.3 | 38 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y994 T1011 K1012 | Y994-G999 PolarHBondContact O-N 3.46Å; G999-T1011 WeakPolarHBondContact O-CB 3.45Å; G999-K1012 PolarHBondContact O-N 2.75Å |
| 1000 | Q | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | B | Isolated β-bridge | trans | -69 | 153.4 | 171.1 | -61.8 | 82.4 | 2.1 | 0 | 0 | 112.2 | P25 E34 C993 Y994 T997 K1012 F1013 | P25-Q1000 HydrophobicContact CB-CB 4.46Å; P25-Q1000 HydrophobicContact CB-CG 3.77Å; P25-Q1000 HydrophobicContact CG-CB 4.12Å; P25-Q1000 HydrophobicContact CG-CG 3.98Å; E34-Q1000 PolarHBondContact OE1-NE2 3.4Å; C993-Q1000 CarbonylContact C-O 3.52Å; C993-Q1000 VanDerWaalsContact CA-O 3.27Å; C993-Q1000 WeakPolarHBondContact CA-O 3.3Å; C993-Q1000 VanDerWaalsContact CB-O 3.27Å; C993-Q1000 WeakPolarHBondContact CB-O 3.45Å; Y994-Q1000 HydrophobicContact CD2-CB 4.42Å; Y994-Q1000 HydrophobicContact CG-CB 4.4Å; Y994-Q1000 PolarHBondContact N-O 3.34Å; Y994-Q1000 PolarHBondContact O-OE1 2.88Å; T997-Q1000 VanDerWaalsContact C-OE1 3.23Å; T997-Q1000 VanDerWaalsContact CB-OE1 3.24Å; T997-Q1000 PolarHBondContact O-NE2 2.85Å; T997-Q1000 PolarHBondContact O-OE1 3.1Å; T997-Q1000 PolarHBondContact OG1-OE1 3.49Å; Q1000-K1012 CarbonylContact C-O 3.5Å; Q1000-K1012 WeakPolarHBondContact CA-O 3.37Å; Q1000-K1012 HydrophobicContact CB-CB 4.49Å; Q1000-K1012 HydrophobicContact CG-CB 4.01Å; Q1000-K1012 HydrophobicContact CG-CD 4.5Å; Q1000-F1013 HydrophobicContact CB-CD2 3.65Å; Q1000-F1013 HydrophobicContact CB-CE2 3.68Å; Q1000-F1013 HydrophobicContact CG-CD2 3.75Å; Q1000-F1013 HydrophobicContact CG-CE2 3.34Å; Q1000-F1013 HydrophobicContact CG-CZ 3.84Å |
| 1001 | A | 94.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 12.8 Ų | 12.8 | 5% | 0.05 | 7% | 0.073 | C | C | . | . | trans | -59.3 | 148.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T1011 K1012 F1013 | A1001-T1011 WeakPolarHBondContact CB-OG1 3.21Å; A1001-K1012 PolarHBondContact N-O 2.84Å; A1001-F1013 HydrophobicContact CB-CB 4.31Å | ||
| 1002 | S | 96.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 4% | 0.035 | 8% | 0.084 | C | C | . | . | trans | -129.5 | 169.7 | 170.5 | 74.2 | 0 | 0 | 0 | 0 | 109.7 | D963 D968 A1004 T1005 K1018 | D963-S1002 VanDerWaalsContact OD2-CB 3.23Å; D963-S1002 WeakPolarHBondContact OD2-CB 3.46Å; D963-S1002 PolarHBondContact OD2-OG 3.45Å; D968-S1002 WeakPolarHBondContact OD2-CA 3.42Å; D968-S1002 WeakPolarHBondContact OD2-CB 3.45Å; S1002-A1004 PolarHBondContact O-N 2.88Å; S1002-A1004 WeakPolarHBondContact OG-CB 3.18Å; S1002-A1004 PolarHBondContact OG-N 3.29Å; S1002-A1004 VanDerWaalsContact OG-N 3.07Å; S1002-T1005 PolarHBondContact N-OG1 3.2Å; S1002-T1005 WeakPolarHBondContact O-CB 3.34Å; S1002-T1005 PolarHBondContact O-N 2.99Å; S1002-T1005 VanDerWaalsContact O-N 3.13Å; S1002-T1005 PolarHBondContact O-OG1 2.99Å; S1002-T1005 PolarHBondContact OG-N 3.5Å; S1002-T1005 PolarHBondContact OG-OG1 2.81Å; S1002-K1018 WeakPolarHBondContact O-CE 3.41Å | ||
| 1003 | K | 97.3 | Very high | 93.9 | Very high | 77 Ų | 77 | 16.6 Ų | 16.6 | 34% | 0.335 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.6 | 168 | -83.4 | -176.5 | -87.5 | -55.3 | 0 | 113 | Y967 D968 R1022 K1023 | Y967-K1003 VanDerWaalsContact O-CE 3.22Å; Y967-K1003 WeakPolarHBondContact O-CE 3.45Å; D968-K1003 WeakPolarHBondContact OD1-CB 3.47Å; D968-K1003 WeakPolarHBondContact OD1-CD 3.47Å; D968-K1003 WeakPolarHBondContact OD1-CE 3.39Å; D968-K1003 WeakPolarHBondContact OD1-CG 3.2Å; D968-K1003 PolarHBondContact OD1-N 3.24Å; D968-K1003 IonicContact OD1-NZ 3.2Å; D968-K1003 PolarHBondContact OD1-NZ 3.01Å; D968-K1003 PolarHBondContact OD2-N 2.87Å; K1003-R1022 WeakPolarHBondContact O-CA 3.3Å; K1003-K1023 HydrophobicContact CB-CB 4.06Å; K1003-K1023 HydrophobicContact CB-CD 4.36Å; K1003-K1023 HydrophobicContact CD-CD 4.35Å; K1003-K1023 PolarHBondContact O-N 2.87Å |
| 1004 | A | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -18.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D963 Y967 S1002 R1022 | D963-A1004 HydrophobicContact CB-CB 3.69Å; Y967-A1004 HydrophobicContact CD1-CB 4.04Å; Y967-A1004 HydrophobicContact CD2-CB 3.88Å; Y967-A1004 HydrophobicContact CE1-CB 4.03Å; Y967-A1004 HydrophobicContact CE2-CB 3.84Å; Y967-A1004 HydrophobicContact CG-CB 3.95Å; S1002-A1004 PolarHBondContact O-N 2.88Å; S1002-A1004 WeakPolarHBondContact OG-CB 3.18Å; S1002-A1004 PolarHBondContact OG-N 3.29Å; S1002-A1004 VanDerWaalsContact OG-N 3.07Å; A1004-R1022 WeakPolarHBondContact O-CB 3.25Å |
| 1005 | T | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 131.2 | 177.9 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | Q992 S1002 A1009 T1011 K1018 | Q992-T1005 VanDerWaalsContact O-CA 3.3Å; Q992-T1005 WeakPolarHBondContact O-CA 3.5Å; Q992-T1005 WeakPolarHBondContact O-CB 3.49Å; Q992-T1005 PolarHBondContact O-OG1 3.27Å; S1002-T1005 PolarHBondContact N-OG1 3.2Å; S1002-T1005 WeakPolarHBondContact O-CB 3.34Å; S1002-T1005 PolarHBondContact O-N 2.99Å; S1002-T1005 VanDerWaalsContact O-N 3.13Å; S1002-T1005 PolarHBondContact O-OG1 2.99Å; S1002-T1005 PolarHBondContact OG-N 3.5Å; S1002-T1005 PolarHBondContact OG-OG1 2.81Å; T1005-A1009 HydrophobicContact CG2-CB 3.88Å; T1005-T1011 HydrophobicContact CG2-CG2 4.04Å; T1005-K1018 VanDerWaalsContact CB-CD 3.5Å; T1005-K1018 HydrophobicContact CG2-CB 4.21Å; T1005-K1018 HydrophobicContact CG2-CD 3.65Å; T1005-K1018 VanDerWaalsContact O-CD 3.3Å; T1005-K1018 WeakPolarHBondContact O-CD 3.43Å; T1005-K1018 WeakPolarHBondContact O-CE 3.39Å; T1005-K1018 PolarHBondContact O-NZ 3.25Å |
| 1006 | P | 94.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 161.5 | -178 | 32.3 | -38.9 | 0 | 0 | 0 | 112.3 | G1008 A1009 F1093 F1132 | P1006-G1008 PolarHBondContact O-N 3.39Å; P1006-A1009 HydrophobicContact CG-CB 3.7Å; P1006-A1009 PolarHBondContact O-N 2.94Å; P1006-F1093 HydrophobicContact CB-CE2 3.69Å; P1006-F1093 HydrophobicContact CB-CZ 3.52Å; P1006-F1093 HydrophobicContact CG-CE2 4.31Å; P1006-F1093 HydrophobicContact CG-CZ 3.8Å; P1006-F1132 HydrophobicContact CB-CZ 4.38Å; P1006-F1132 HydrophobicContact CG-CE1 4.25Å; P1006-F1132 HydrophobicContact CG-CZ 3.64Å |
| 1007 | L | 93.7 | Very high | 92.5 | Very high | 25 Ų | 25 | 17.8 Ų | 17.8 | 13% | 0.131 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 133 | 175 | -168.2 | 73 | 0 | 0 | 0 | 110.1 | A1009 K1018 R1019 L1146 D1149 A1150 | L1007-A1009 VanDerWaalsContact C-N 3.31Å; L1007-A1009 PolarHBondContact O-N 2.96Å; L1007-K1018 WeakPolarHBondContact CD1-O 3.33Å; L1007-R1019 VanDerWaalsContact CD1-C 3.44Å; L1007-L1146 HydrophobicContact CD1-CD2 3.9Å; L1007-L1146 HydrophobicContact CD2-CD2 4.16Å; L1007-L1146 WeakPolarHBondContact CD2-O 3.5Å; L1007-L1146 HydrophobicContact CG-CD2 3.87Å; L1007-D1149 HydrophobicContact CD2-CB 3.68Å; L1007-A1150 HydrophobicContact CB-CB 4.28Å; L1007-A1150 HydrophobicContact CD2-CB 4.15Å |
| 1008 | G | 93.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -6.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | P1006 V1010 K1018 L1135 | P1006-G1008 PolarHBondContact O-N 3.39Å; G1008-V1010 PolarHBondContact O-N 2.73Å; G1008-K1018 PolarHBondContact N-O 3.12Å; G1008-L1135 WeakPolarHBondContact O-CD2 3.35Å |
| 1009 | A | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -71.3 | 132.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1005 P1006 L1007 G1017 K1018 R1131 F1132 | T1005-A1009 HydrophobicContact CG2-CB 3.88Å; P1006-A1009 HydrophobicContact CG-CB 3.7Å; P1006-A1009 PolarHBondContact O-N 2.94Å; L1007-A1009 VanDerWaalsContact C-N 3.31Å; L1007-A1009 PolarHBondContact O-N 2.96Å; A1009-G1017 WeakPolarHBondContact O-CA 3.17Å; A1009-K1018 PolarHBondContact O-N 3.34Å; A1009-R1131 HydrophobicContact CB-CG 4.48Å; A1009-F1132 HydrophobicContact CB-CD1 4.37Å; A1009-F1132 HydrophobicContact CB-CE1 3.71Å; A1009-F1132 HydrophobicContact CB-CZ 3.85Å | ||
| 1010 | V | 93.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | trans | -84.8 | 122.9 | 171 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | G1008 G1014 R1131 R1134 L1135 | G1008-V1010 PolarHBondContact O-N 2.73Å; V1010-G1014 WeakPolarHBondContact CA-O 3.37Å; V1010-R1131 VanDerWaalsContact CB-O 3.28Å; V1010-R1131 WeakPolarHBondContact CB-O 3.49Å; V1010-R1131 WeakPolarHBondContact CG2-O 3.48Å; V1010-R1131 PolarHBondContact N-O 2.68Å; V1010-R1131 WeakPolarHBondContact O-CB 3.32Å; V1010-R1134 HydrophobicContact CG1-CG 4.45Å; V1010-R1134 HydrophobicContact CG2-CB 4.34Å; V1010-L1135 HydrophobicContact CG2-CB 3.72Å | ||
| 1011 | T | 93.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -139.2 | 169.4 | 178 | 43.6 | 0 | 0 | 0 | 0 | 108 | C993 G999 A1001 T1005 G1014 E1015 | C993-T1011 HydrophobicContact CB-CG2 4.12Å; G999-T1011 WeakPolarHBondContact O-CB 3.45Å; A1001-T1011 WeakPolarHBondContact CB-OG1 3.21Å; T1005-T1011 HydrophobicContact CG2-CG2 4.04Å; T1011-G1014 PolarHBondContact N-O 3.31Å; T1011-G1014 CarbonylContact O-C 3.49Å; T1011-G1014 VanDerWaalsContact O-CA 3.31Å; T1011-G1014 WeakPolarHBondContact O-CA 3.4Å; T1011-G1014 PolarHBondContact O-N 3.05Å; T1011-E1015 PolarHBondContact O-N 3.31Å |
| 1012 | K | 89.9 | Confident | 92.2 | Very high | 60 Ų | 60 | 33.6 Ų | 33.6 | 26% | 0.261 | 16% | 0.16 | S | C | . | . | B | Isolated β-bridge | trans | -63.8 | 141.8 | 164.8 | -58.9 | -175.4 | 179.8 | 179.7 | 0 | 108.5 | E34 G998 G999 Q1000 A1001 G1014 | E34-K1012 HydrophobicContact CG-CB 4.4Å; E34-K1012 HydrophobicContact CG-CD 3.76Å; E34-K1012 WeakPolarHBondContact OE1-CD 3.33Å; E34-K1012 IonicContact OE1-NZ 3.51Å; E34-K1012 PolarHBondContact OE1-NZ 3.27Å; E34-K1012 WeakPolarHBondContact OE2-CE 3.28Å; E34-K1012 IonicContact OE2-NZ 3.62Å; E34-K1012 PolarHBondContact OE2-NZ 2.99Å; G998-K1012 WeakPolarHBondContact O-CD 3.31Å; G998-K1012 WeakPolarHBondContact O-CE 3.44Å; G998-K1012 PolarHBondContact O-NZ 2.97Å; G999-K1012 PolarHBondContact O-N 2.75Å; Q1000-K1012 CarbonylContact C-O 3.5Å; Q1000-K1012 WeakPolarHBondContact CA-O 3.37Å; Q1000-K1012 HydrophobicContact CB-CB 4.49Å; Q1000-K1012 HydrophobicContact CG-CB 4.01Å; Q1000-K1012 HydrophobicContact CG-CD 4.5Å; A1001-K1012 PolarHBondContact N-O 2.84Å; K1012-G1014 PolarHBondContact O-N 3.2Å |
| 1013 | F | 90.7 | Very high | 92 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 10% | 0.101 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 7.3 | -165.5 | -43 | -36.3 | 0 | 0 | 0 | 115.1 | I23 P25 A33 E34 D37 E56 Q1000 A1001 | I23-F1013 HydrophobicContact CD1-CD1 3.48Å; I23-F1013 VanDerWaalsContact CD1-CD1 3.48Å; I23-F1013 HydrophobicContact CD1-CD2 4.47Å; I23-F1013 HydrophobicContact CD1-CE1 3.38Å; I23-F1013 HydrophobicContact CD1-CE2 4.34Å; I23-F1013 HydrophobicContact CD1-CG 4.07Å; I23-F1013 HydrophobicContact CD1-CZ 3.85Å; P25-F1013 HydrophobicContact CB-CE2 3.78Å; P25-F1013 HydrophobicContact CB-CZ 4.07Å; P25-F1013 HydrophobicContact CG-CE2 3.79Å; A33-F1013 HydrophobicContact CB-CE1 3.82Å; A33-F1013 HydrophobicContact CB-CZ 3.82Å; E34-F1013 HydrophobicContact CB-CE1 4.5Å; E34-F1013 HydrophobicContact CG-CE1 3.98Å; E34-F1013 HydrophobicContact CG-CZ 4.26Å; D37-F1013 HydrophobicContact CB-CD1 3.86Å; D37-F1013 WeakPolarHBondContact OD2-CA 3.44Å; D37-F1013 PolarHBondContact OD2-N 2.8Å; E56-F1013 HydrophobicContact CB-CD2 4.47Å; E56-F1013 HydrophobicContact CG-CD2 4.19Å; E56-F1013 VanDerWaalsContact OE1-CD2 3.26Å; E56-F1013 WeakPolarHBondContact OE1-CD2 3.49Å; Q1000-F1013 HydrophobicContact CB-CD2 3.65Å; Q1000-F1013 HydrophobicContact CB-CE2 3.68Å; Q1000-F1013 HydrophobicContact CG-CD2 3.75Å; Q1000-F1013 HydrophobicContact CG-CE2 3.34Å; Q1000-F1013 HydrophobicContact CG-CZ 3.84Å; A1001-F1013 HydrophobicContact CB-CB 4.31Å |
| 1014 | G | 87.2 | Confident | 91.9 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -149.6 | 39.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1010 T1011 K1012 H1016 G1017 | V1010-G1014 WeakPolarHBondContact CA-O 3.37Å; T1011-G1014 PolarHBondContact N-O 3.31Å; T1011-G1014 CarbonylContact O-C 3.49Å; T1011-G1014 VanDerWaalsContact O-CA 3.31Å; T1011-G1014 WeakPolarHBondContact O-CA 3.4Å; T1011-G1014 PolarHBondContact O-N 3.05Å; K1012-G1014 PolarHBondContact O-N 3.2Å; G1014-H1016 PolarHBondContact O-N 2.98Å; G1014-H1016 VanDerWaalsContact O-N 3.1Å; G1014-G1017 PolarHBondContact O-N 3.43Å |
| 1015 | E | 85.4 | Confident | 91.8 | Very high | 37 Ų | 37 | 33.3 Ų | 33.3 | 17% | 0.173 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.9 | -173.6 | -74 | -67 | 153.3 | 0 | 0 | 113.4 | T1011 R1134 | T1011-E1015 PolarHBondContact O-N 3.31Å; E1015-R1134 IonicContact OE1-NH1 3.9Å; E1015-R1134 IonicContact OE2-CZ 3.96Å; E1015-R1134 IonicContact OE2-NH1 2.77Å; E1015-R1134 PolarHBondContact OE2-NH1 3.48Å; E1015-R1134 IonicContact OE2-NH2 2.9Å; E1015-R1134 PolarHBondContact OE2-NH2 2.78Å |
| 1016 | H | 87.7 | Confident | 91.8 | Very high | 48 Ų | 48 | 33.3 Ų | 33.3 | 22% | 0.222 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 23.8 | 175.4 | -57.4 | -67 | 0 | 0 | 0 | 113.1 | G41 G1014 R1019 L1135 Q1139 | G41-H1016 WeakPolarHBondContact CA-NE2 3.26Å; G41-H1016 PolarHBondContact O-NE2 3.34Å; G1014-H1016 PolarHBondContact O-N 2.98Å; G1014-H1016 VanDerWaalsContact O-N 3.1Å; H1016-R1019 PolarHBondContact O-NE 3.13Å; H1016-R1019 VanDerWaalsContact O-NE 3.09Å; H1016-R1019 PolarHBondContact O-NH2 3.15Å; H1016-L1135 WeakPolarHBondContact O-CD1 3.4Å; H1016-Q1139 PolarHBondContact ND1-NE2 3.23Å |
| 1017 | G | 90.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | trans | 75.9 | 136 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1009 G1014 R1019 | A1009-G1017 WeakPolarHBondContact O-CA 3.17Å; G1014-G1017 PolarHBondContact O-N 3.43Å; G1017-R1019 VanDerWaalsContact O-CD 3.28Å; G1017-R1019 WeakPolarHBondContact O-CD 3.48Å; G1017-R1019 PolarHBondContact O-N 2.95Å; G1017-R1019 PolarHBondContact O-NE 3.28Å | ||
| 1018 | K | 92.7 | Very high | 91.9 | Very high | 32 Ų | 32 | 35.7 Ų | 35.7 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | trans | -61.9 | 132.1 | 178.4 | -175 | 164 | 176.1 | -86 | 0 | 111.4 | S1002 T1005 L1007 G1008 A1009 K1020 A1021 | S1002-K1018 WeakPolarHBondContact O-CE 3.41Å; T1005-K1018 VanDerWaalsContact CB-CD 3.5Å; T1005-K1018 HydrophobicContact CG2-CB 4.21Å; T1005-K1018 HydrophobicContact CG2-CD 3.65Å; T1005-K1018 VanDerWaalsContact O-CD 3.3Å; T1005-K1018 WeakPolarHBondContact O-CD 3.43Å; T1005-K1018 WeakPolarHBondContact O-CE 3.39Å; T1005-K1018 PolarHBondContact O-NZ 3.25Å; L1007-K1018 WeakPolarHBondContact CD1-O 3.33Å; G1008-K1018 PolarHBondContact N-O 3.12Å; A1009-K1018 PolarHBondContact O-N 3.34Å; K1018-K1020 WeakPolarHBondContact CG-O 3.18Å; K1018-K1020 PolarHBondContact NZ-O 2.97Å; K1018-A1021 PolarHBondContact NZ-O 3.29Å | ||
| 1019 | R | 90.6 | Very high | 92.1 | Very high | 122 Ų | 122 | 35.9 Ų | 35.9 | 46% | 0.46 | 18% | 0.179 | S | C | . | . | trans | -100.6 | 1.1 | -174.3 | -53.1 | -54.1 | 179.1 | 137.7 | -0.2 | 114.9 | L1007 H1016 G1017 | L1007-R1019 VanDerWaalsContact CD1-C 3.44Å; H1016-R1019 PolarHBondContact O-NE 3.13Å; H1016-R1019 VanDerWaalsContact O-NE 3.09Å; H1016-R1019 PolarHBondContact O-NH2 3.15Å; G1017-R1019 VanDerWaalsContact O-CD 3.28Å; G1017-R1019 WeakPolarHBondContact O-CD 3.48Å; G1017-R1019 PolarHBondContact O-N 2.95Å; G1017-R1019 PolarHBondContact O-NE 3.28Å | ||
| 1020 | K | 89.4 | Confident | 92.2 | Very high | 163 Ų | 163 | 36 Ų | 36 | 71% | 0.709 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -120.4 | 142.8 | 178.2 | -66.6 | 178.2 | -179.3 | 176.9 | 0 | 109.1 | K1018 | K1018-K1020 WeakPolarHBondContact CG-O 3.18Å; K1018-K1020 PolarHBondContact NZ-O 2.97Å |
| 1021 | A | 87.6 | Confident | 92.2 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 39% | 0.388 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -55.1 | 156 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1018 | K1018-A1021 PolarHBondContact NZ-O 3.29Š|
| 1022 | R | 92.2 | Very high | 92.4 | Very high | 24 Ų | 24 | 44.6 Ų | 44.6 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 144.9 | 172.7 | 64.8 | 175.7 | 176.9 | 171.2 | -4.2 | 109.7 | K1003 A1004 F1093 R1157 | K1003-R1022 WeakPolarHBondContact O-CA 3.3Å; A1004-R1022 WeakPolarHBondContact O-CB 3.25Å; R1022-F1093 PolarHBondContact NH2-O 3.24Å; R1022-R1157 VanDerWaalsContact NH2-NH1 3.11Å |
| 1023 | K | 93.7 | Very high | 92.7 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 137.7 | 168.5 | 171.5 | 175.7 | 170.4 | -175.5 | 0 | 108.7 | Y967 K1003 L1025 | Y967-K1023 HydrophobicContact CD1-CB 3.99Å; Y967-K1023 HydrophobicContact CD1-CD 4.05Å; Y967-K1023 HydrophobicContact CD1-CG 4.01Å; Y967-K1023 HydrophobicContact CE1-CB 4.46Å; Y967-K1023 HydrophobicContact CE1-CG 4.5Å; Y967-K1023 WeakPolarHBondContact CE1-O 3.46Å; Y967-K1023 PolarHBondContact O-NZ 2.98Å; K1003-K1023 HydrophobicContact CB-CB 4.06Å; K1003-K1023 HydrophobicContact CB-CD 4.36Å; K1003-K1023 HydrophobicContact CD-CD 4.35Å; K1003-K1023 PolarHBondContact O-N 2.87Å; K1023-L1025 PolarHBondContact O-N 2.82Å |
| 1024 | D | 93.3 | Very high | 92.9 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | trans | -98.9 | 82.9 | 177.3 | -167.3 | -15.8 | 0 | 0 | 0 | 110.3 | G1026 V1027 S1028 R1157 | D1024-G1026 VanDerWaalsContact C-N 3.31Å; D1024-G1026 PolarHBondContact O-N 3.4Å; D1024-G1026 PolarHBondContact OD1-N 3.49Å; D1024-V1027 HydrophobicContact CB-CB 4.22Å; D1024-V1027 VanDerWaalsContact CG-CB 3.45Å; D1024-V1027 VanDerWaalsContact CG-CG2 3.45Å; D1024-V1027 PolarHBondContact O-N 3.13Å; D1024-V1027 PolarHBondContact OD1-N 3.01Å; D1024-V1027 WeakPolarHBondContact OD2-CG2 3.39Å; D1024-S1028 PolarHBondContact O-N 3.01Å; D1024-S1028 PolarHBondContact O-OG 3.37Å; D1024-S1028 VanDerWaalsContact O-OG 3.08Å; D1024-R1157 IonicContact OD1-CZ 3.46Å; D1024-R1157 IonicContact OD1-NE 3.41Å; D1024-R1157 IonicContact OD1-NH1 2.72Å; D1024-R1157 IonicContact OD1-NH2 2.67Å; D1024-R1157 PolarHBondContact OD1-NH2 3.15Å; D1024-R1157 WeakPolarHBondContact OD2-CD 3.42Å; D1024-R1157 IonicContact OD2-CZ 3.2Å; D1024-R1157 IonicContact OD2-NE 2.72Å; D1024-R1157 PolarHBondContact OD2-NE 3.41Å; D1024-R1157 IonicContact OD2-NH1 2.7Å; D1024-R1157 PolarHBondContact OD2-NH1 3.08Å; D1024-R1157 IonicContact OD2-NH2 3.82Å; D1024-R1157 PolarHBondContact OD2-NH2 3.17Å | ||
| 1025 | L | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | -178.5 | 178.3 | 64.8 | 0 | 0 | 0 | 111.6 | A966 Y967 F971 L974 V988 K1023 S1028 M1029 L1064 I1066 | A966-L1025 HydrophobicContact CB-CD2 4.1Å; Y967-L1025 HydrophobicContact CD1-CB 3.98Å; Y967-L1025 HydrophobicContact CD2-CD2 4.27Å; Y967-L1025 HydrophobicContact CE1-CB 3.36Å; Y967-L1025 HydrophobicContact CE1-CD2 4.37Å; Y967-L1025 HydrophobicContact CE1-CG 4.47Å; Y967-L1025 HydrophobicContact CE2-CB 4.38Å; Y967-L1025 HydrophobicContact CE2-CD2 3.96Å; F971-L1025 HydrophobicContact CD2-CD1 4.06Å; F971-L1025 HydrophobicContact CE2-CD1 3.7Å; L974-L1025 HydrophobicContact CD2-CD1 3.95Å; V988-L1025 HydrophobicContact CG2-CD2 4.29Å; K1023-L1025 PolarHBondContact O-N 2.82Å; L1025-S1028 PolarHBondContact O-N 2.96Å; L1025-M1029 HydrophobicContact CD1-CE 4.32Å; L1025-M1029 HydrophobicContact CD1-CG 3.96Å; L1025-M1029 HydrophobicContact CG-CG 4.41Å; L1025-M1029 WeakPolarHBondContact O-CG 3.35Å; L1025-M1029 PolarHBondContact O-N 2.79Å; L1025-L1064 HydrophobicContact CD2-CD1 4.5Å; L1025-L1064 HydrophobicContact CD2-CD2 4.18Å; L1025-L1064 HydrophobicContact CG-CD2 3.99Å; L1025-I1066 HydrophobicContact CB-CD1 4.03Å; L1025-I1066 HydrophobicContact CD2-CD1 4.21Å; L1025-I1066 HydrophobicContact CG-CD1 4.19Å |
| 1026 | G | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -47.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | D1024 S1028 M1029 M1030 Y1097 | D1024-G1026 VanDerWaalsContact C-N 3.31Å; D1024-G1026 PolarHBondContact O-N 3.4Å; D1024-G1026 PolarHBondContact OD1-N 3.49Å; G1026-S1028 PolarHBondContact O-N 3.02Å; G1026-M1029 PolarHBondContact O-N 2.88Å; G1026-M1030 VanDerWaalsContact O-CG 3.25Å; G1026-M1030 WeakPolarHBondContact O-CG 3.37Å; G1026-M1030 PolarHBondContact O-N 3.23Å; G1026-Y1097 WeakPolarHBondContact CA-OH 3.3Å |
| 1027 | V | 94.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | D1024 M1029 M1030 M1031 F1160 L1161 | D1024-V1027 HydrophobicContact CB-CB 4.22Å; D1024-V1027 VanDerWaalsContact CG-CB 3.45Å; D1024-V1027 VanDerWaalsContact CG-CG2 3.45Å; D1024-V1027 PolarHBondContact O-N 3.13Å; D1024-V1027 PolarHBondContact OD1-N 3.01Å; D1024-V1027 WeakPolarHBondContact OD2-CG2 3.39Å; V1027-M1029 VanDerWaalsContact C-N 3.34Å; V1027-M1029 PolarHBondContact O-N 3.39Å; V1027-M1030 VanDerWaalsContact CA-CE 3.47Å; V1027-M1030 HydrophobicContact CB-CE 4.16Å; V1027-M1030 HydrophobicContact CG2-CE 3.64Å; V1027-M1030 PolarHBondContact O-N 2.58Å; V1027-M1031 WeakPolarHBondContact O-CG 3.43Å; V1027-M1031 PolarHBondContact O-N 3.42Å; V1027-F1160 HydrophobicContact CG1-CE1 3.7Å; V1027-F1160 HydrophobicContact CG1-CZ 4.43Å; V1027-F1160 HydrophobicContact CG2-CD1 4.5Å; V1027-F1160 HydrophobicContact CG2-CE1 4.23Å; V1027-L1161 HydrophobicContact CG2-CD2 4.11Å |
| 1028 | S | 95.6 | Very high | 95.1 | Very high | 56 Ų | 56 | 40.4 Ų | 40.4 | 39% | 0.392 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.6 | -46.4 | 177 | -64.1 | 0 | 0 | 0 | 0 | 112.1 | D1024 L1025 G1026 M1031 | D1024-S1028 PolarHBondContact O-N 3.01Å; D1024-S1028 PolarHBondContact O-OG 3.37Å; D1024-S1028 VanDerWaalsContact O-OG 3.08Å; L1025-S1028 PolarHBondContact O-N 2.96Å; G1026-S1028 PolarHBondContact O-N 3.02Å; S1028-M1031 PolarHBondContact O-N 3.33Å |
| 1029 | M | 97.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.02 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.3 | -30.7 | -176.6 | -61.3 | -60 | 107.6 | 0 | 0 | 112.9 | F971 L974 L978 L1025 G1026 V1027 M1031 Y1032 V1037 L1064 | F971-M1029 HydrophobicContact CE2-CE 3.84Å; F971-M1029 HydrophobicContact CZ-CE 4.03Å; L974-M1029 HydrophobicContact CD2-SD 4.31Å; L978-M1029 HydrophobicContact CB-SD 4.33Å; L978-M1029 HydrophobicContact CD1-CB 4.38Å; L978-M1029 HydrophobicContact CD1-CG 3.77Å; L978-M1029 HydrophobicContact CD1-SD 3.62Å; L1025-M1029 HydrophobicContact CD1-CE 4.32Å; L1025-M1029 HydrophobicContact CD1-CG 3.96Å; L1025-M1029 HydrophobicContact CG-CG 4.41Å; L1025-M1029 WeakPolarHBondContact O-CG 3.35Å; L1025-M1029 PolarHBondContact O-N 2.79Å; G1026-M1029 PolarHBondContact O-N 2.88Å; V1027-M1029 VanDerWaalsContact C-N 3.34Å; V1027-M1029 PolarHBondContact O-N 3.39Å; M1029-M1031 PolarHBondContact O-N 3.28Å; M1029-Y1032 HydrophobicContact CE-CE2 4.38Å; M1029-Y1032 PolarHBondContact O-N 2.75Å; M1029-Y1032 HydrophobicContact SD-CD2 4.4Å; M1029-Y1032 HydrophobicContact SD-CE2 4.11Å; M1029-V1037 HydrophobicContact CB-CG2 4.1Å; M1029-L1064 HydrophobicContact CB-CD2 3.96Å; M1029-L1064 HydrophobicContact CG-CD2 3.7Å |
| 1030 | M | 96.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -25.3 | 173.3 | -74.7 | -175.4 | -66.7 | 0 | 0 | 112.8 | G1026 V1027 Y1032 G1033 V1037 Y1097 F1099 L1111 L1161 | G1026-M1030 VanDerWaalsContact O-CG 3.25Å; G1026-M1030 WeakPolarHBondContact O-CG 3.37Å; G1026-M1030 PolarHBondContact O-N 3.23Å; V1027-M1030 VanDerWaalsContact CA-CE 3.47Å; V1027-M1030 HydrophobicContact CB-CE 4.16Å; V1027-M1030 HydrophobicContact CG2-CE 3.64Å; V1027-M1030 PolarHBondContact O-N 2.58Å; M1030-Y1032 PolarHBondContact O-N 2.93Å; M1030-G1033 PolarHBondContact O-N 2.77Å; M1030-G1033 VanDerWaalsContact O-N 3.07Å; M1030-V1037 HydrophobicContact CG-CB 3.59Å; M1030-V1037 HydrophobicContact CG-CG1 4.01Å; M1030-V1037 HydrophobicContact CG-CG2 3.65Å; M1030-V1037 HydrophobicContact SD-CB 4.39Å; M1030-Y1097 HydrophobicContact CE-CD2 4.3Å; M1030-Y1097 HydrophobicContact CE-CE2 3.66Å; M1030-Y1097 HydrophobicContact SD-CD2 4.09Å; M1030-Y1097 HydrophobicContact SD-CE2 3.78Å; M1030-F1099 HydrophobicContact CB-CD2 4.28Å; M1030-F1099 HydrophobicContact CB-CG 4.31Å; M1030-F1099 HydrophobicContact CG-CB 3.71Å; M1030-F1099 HydrophobicContact CG-CD1 4.16Å; M1030-F1099 HydrophobicContact CG-CD2 4.07Å; M1030-F1099 HydrophobicContact CG-CG 3.73Å; M1030-F1099 HydrophobicContact SD-CB 3.46Å; M1030-F1099 WeakPolarHBondContact SD-CB 3.21Å; M1030-F1099 HydrophobicContact SD-CD2 3.99Å; M1030-F1099 HydrophobicContact SD-CG 3.9Å; M1030-L1111 HydrophobicContact SD-CD1 3.66Å; M1030-L1161 HydrophobicContact CE-CD2 4.03Å |
| 1031 | M | 95.4 | Very high | 96.2 | Very high | 114 Ų | 114 | 25.4 Ų | 25.4 | 56% | 0.562 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.3 | -179.4 | -64.8 | -59.7 | 96 | 0 | 0 | 114 | V1027 S1028 M1029 G1033 M1164 | V1027-M1031 WeakPolarHBondContact O-CG 3.43Å; V1027-M1031 PolarHBondContact O-N 3.42Å; S1028-M1031 PolarHBondContact O-N 3.33Å; M1029-M1031 PolarHBondContact O-N 3.28Å; M1031-G1033 PolarHBondContact O-N 3.19Å; M1031-M1164 HydrophobicContact CE-CE 3.63Å; M1031-M1164 HydrophobicContact CE-SD 4.2Å |
| 1032 | Y | 96.7 | Very high | 96.6 | Very high | 91 Ų | 91 | 23.4 Ų | 23.4 | 36% | 0.357 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.4 | 167.9 | -80.7 | -67.2 | 0 | 0 | 0 | 112.1 | D975 M1029 M1030 H1034 V1035 | D975-Y1032 WeakPolarHBondContact OD1-CE2 3.42Å; D975-Y1032 PolarHBondContact OD1-OH 3.19Å; D975-Y1032 PolarHBondContact OD2-OH 2.93Å; M1029-Y1032 HydrophobicContact CE-CE2 4.38Å; M1029-Y1032 PolarHBondContact O-N 2.75Å; M1029-Y1032 HydrophobicContact SD-CD2 4.4Å; M1029-Y1032 HydrophobicContact SD-CE2 4.11Å; M1030-Y1032 PolarHBondContact O-N 2.93Å; Y1032-H1034 PolarHBondContact O-N 3.41Å; Y1032-H1034 PolarHBondContact O-ND1 3.32Å; Y1032-V1035 HydrophobicContact CD2-CG2 4.27Å; Y1032-V1035 HydrophobicContact CG-CG2 4.33Å |
| 1033 | G | 95.4 | Very high | 96.8 | Very high | 38 Ų | 38 | 22.5 Ų | 22.5 | 39% | 0.392 | 12% | 0.123 | S | C | . | . | S | Bend | trans | 83.2 | -27.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | M1030 M1031 P1101 | M1030-G1033 PolarHBondContact O-N 2.77Å; M1030-G1033 VanDerWaalsContact O-N 3.07Å; M1031-G1033 PolarHBondContact O-N 3.19Å; G1033-P1101 WeakPolarHBondContact O-CG 3.07Å |
| 1034 | H | 96.9 | Very high | 96.9 | Very high | 56 Ų | 56 | 21.4 Ų | 21.4 | 26% | 0.259 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -103.8 | 6.2 | 178.3 | 72.2 | -74.1 | 0 | 0 | 0 | 114.2 | L978 S979 L980 Y1032 Y1059 | L978-H1034 PolarHBondContact O-NE2 3.31Å; S979-H1034 PolarHBondContact O-NE2 2.99Å; L980-H1034 PolarHBondContact O-CD2 3.26Å; L980-H1034 PolarHBondContact O-NE2 3.21Å; Y1032-H1034 PolarHBondContact O-N 3.41Å; Y1032-H1034 PolarHBondContact O-ND1 3.32Å; H1034-Y1059 WeakPolarHBondContact O-CE1 3.44Å; H1034-Y1059 PolarHBondContact O-OH 3.13Å |
| 1035 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -98.3 | 127.4 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 109 | L978 Y1032 V1037 P1062 F1099 | L978-V1035 HydrophobicContact CB-CG2 4.34Å; L978-V1035 HydrophobicContact CD2-CG1 3.93Å; L978-V1035 WeakPolarHBondContact O-CG2 3.46Å; Y1032-V1035 HydrophobicContact CD2-CG2 4.27Å; Y1032-V1035 HydrophobicContact CG-CG2 4.33Å; V1035-V1037 HydrophobicContact CB-CG2 4.35Å; V1035-V1037 HydrophobicContact CG1-CG2 3.89Å; V1035-P1062 HydrophobicContact CG2-CG 3.99Å; V1035-F1099 WeakPolarHBondContact O-CD1 3.45Å; V1035-F1099 WeakPolarHBondContact O-CE1 3.48Å |
| 1036 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129.7 | 167.7 | 175.5 | -80.1 | 0 | 0 | 0 | 108.9 | A1038 A1052 E1055 A1056 P1062 S1063 L1064 F1099 D1100 | Y1036-A1038 HydrophobicContact CE1-CB 3.76Å; Y1036-A1052 WeakPolarHBondContact OH-CA 3.35Å; Y1036-A1052 PolarHBondContact OH-O 3.35Å; Y1036-A1052 VanDerWaalsContact OH-O 3.06Å; Y1036-E1055 HydrophobicContact CE2-CB 3.66Å; Y1036-E1055 WeakPolarHBondContact OH-CB 3.29Å; Y1036-E1055 PolarHBondContact OH-OE2 3.08Å; Y1036-A1056 HydrophobicContact CD1-CB 3.73Å; Y1036-A1056 HydrophobicContact CE1-CB 3.53Å; Y1036-P1062 PolarHBondContact N-O 3.32Å; Y1036-S1063 CarbonylContact O-C 3.51Å; Y1036-S1063 WeakPolarHBondContact O-CA 3.49Å; Y1036-L1064 PolarHBondContact O-N 3Å; Y1036-F1099 WeakPolarHBondContact CA-O 3.47Å; Y1036-F1099 WeakPolarHBondContact CD2-O 3.38Å; Y1036-D1100 HydrophobicContact CD2-CB 3.85Å; Y1036-D1100 HydrophobicContact CE2-CB 3.87Å |
| 1037 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.8 | -179.5 | -175 | 0 | 0 | 0 | 0 | 110.5 | M1029 M1030 V1035 L1064 Y1097 R1098 F1099 | M1029-V1037 HydrophobicContact CB-CG2 4.1Å; M1030-V1037 HydrophobicContact CG-CB 3.59Å; M1030-V1037 HydrophobicContact CG-CG1 4.01Å; M1030-V1037 HydrophobicContact CG-CG2 3.65Å; M1030-V1037 HydrophobicContact SD-CB 4.39Å; V1035-V1037 HydrophobicContact CB-CG2 4.35Å; V1035-V1037 HydrophobicContact CG1-CG2 3.89Å; V1037-L1064 CarbonylContact C-O 3.56Å; V1037-L1064 VanDerWaalsContact CA-O 3.3Å; V1037-L1064 WeakPolarHBondContact CA-O 3.29Å; V1037-L1064 HydrophobicContact CG1-CD2 4.36Å; V1037-L1064 HydrophobicContact CG2-CB 4.47Å; V1037-Y1097 HydrophobicContact CG1-CE2 4.2Å; V1037-R1098 CarbonylContact O-C 3.4Å; V1037-R1098 WeakPolarHBondContact O-CA 3.32Å; V1037-F1099 HydrophobicContact CB-CB 4.29Å; V1037-F1099 PolarHBondContact N-O 3Å; V1037-F1099 PolarHBondContact O-N 2.91Å |
| 1038 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1036 I1040 A1052 L1064 I1065 I1066 Y1097 R1098 | Y1036-A1038 HydrophobicContact CE1-CB 3.76Å; A1038-I1040 HydrophobicContact CB-CG2 4.29Å; A1038-A1052 HydrophobicContact CB-CB 3.89Å; A1038-L1064 PolarHBondContact N-O 3.12Å; A1038-I1065 CarbonylContact O-C 3.56Å; A1038-I1065 WeakPolarHBondContact O-CA 3.36Å; A1038-I1066 PolarHBondContact O-N 2.97Å; A1038-Y1097 WeakPolarHBondContact CA-O 3.4Å; A1038-R1098 HydrophobicContact CB-CG 3.88Å |
| 1039 | Q | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119.9 | 167.8 | -170.5 | 167.3 | -72.6 | 0 | 0 | 108.6 | Q1048 I1066 W1094 P1095 Y1097 | Q1039-Q1048 PolarHBondContact O-NE2 3.34Å; Q1039-I1066 WeakPolarHBondContact CA-O 3.13Å; Q1039-W1094 HydrophobicContact CG-CD2 4.35Å; Q1039-W1094 VanDerWaalsContact CG-CE2 3.44Å; Q1039-W1094 HydrophobicContact CG-CZ2 3.59Å; Q1039-W1094 VanDerWaalsContact CG-NE1 3.33Å; Q1039-P1095 PolarHBondContact NE2-O 3.14Å; Q1039-Y1097 HydrophobicContact CB-CD1 3.84Å; Q1039-Y1097 HydrophobicContact CB-CE1 3.38Å; Q1039-Y1097 HydrophobicContact CB-CE2 4.15Å; Q1039-Y1097 HydrophobicContact CB-CG 4.38Å; Q1039-Y1097 HydrophobicContact CG-CE1 4.13Å; Q1039-Y1097 PolarHBondContact N-O 2.87Å; Q1039-Y1097 PolarHBondContact O-N 3.41Å; Q1039-Y1097 PolarHBondContact OE1-OH 3.06Å |
| 1040 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 158.4 | -170.4 | 66.1 | 169.1 | 0 | 0 | 0 | 111.6 | Y827 A1038 T1049 A1052 I1065 I1066 A1067 Y1068 W1094 | Y827-I1040 HydrophobicContact CD1-CD1 3.8Å; Y827-I1040 HydrophobicContact CE1-CD1 3.7Å; Y827-I1040 HydrophobicContact CE1-CG1 4.12Å; A1038-I1040 HydrophobicContact CB-CG2 4.29Å; I1040-T1049 HydrophobicContact CD1-CG2 3.82Å; I1040-A1052 HydrophobicContact CG2-CB 3.48Å; I1040-A1052 VanDerWaalsContact CG2-CB 3.48Å; I1040-I1065 HydrophobicContact CD1-CG2 3.4Å; I1040-I1065 VanDerWaalsContact CD1-CG2 3.4Å; I1040-I1065 HydrophobicContact CG1-CG2 3.7Å; I1040-I1065 HydrophobicContact CG2-CG2 4.21Å; I1040-I1066 PolarHBondContact N-O 2.75Å; I1040-A1067 HydrophobicContact CD1-CB 3.85Å; I1040-A1067 HydrophobicContact CG1-CB 3.69Å; I1040-Y1068 PolarHBondContact O-N 3.06Å; I1040-Y1068 VanDerWaalsContact O-N 3.16Å; I1040-W1094 PolarHBondContact O-NE1 3Å |
| 1041 | S | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | trans | -153.2 | 103.6 | 174.7 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | Y827 G1043 A1044 Q1045 M1085 | Y827-S1041 WeakPolarHBondContact OH-CA 3.33Å; S1041-G1043 VanDerWaalsContact C-N 3.34Å; S1041-G1043 PolarHBondContact O-N 2.97Å; S1041-A1044 PolarHBondContact O-N 3.48Å; S1041-A1044 VanDerWaalsContact O-N 3.12Å; S1041-A1044 WeakPolarHBondContact OG-CB 3.42Å; S1041-Q1045 PolarHBondContact O-N 2.83Å; S1041-M1085 VanDerWaalsContact OG-CE 3.29Å; S1041-M1085 WeakPolarHBondContact OG-CE 3.5Å | ||
| 1042 | L | 97.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -46.3 | -173.6 | -174.5 | 69.5 | 0 | 0 | 0 | 111.4 | I803 P826 Y827 L830 A1044 L1046 T1049 M1085 | I803-L1042 HydrophobicContact CD1-CD1 4.19Å; P826-L1042 HydrophobicContact CB-CD2 3.51Å; Y827-L1042 HydrophobicContact CD1-CB 4.36Å; Y827-L1042 HydrophobicContact CE1-CB 3.57Å; Y827-L1042 PolarHBondContact OH-N 2.86Å; L830-L1042 HydrophobicContact CD2-CD1 4.38Å; L1042-A1044 VanDerWaalsContact C-N 3.29Å; L1042-A1044 PolarHBondContact O-N 3.44Å; L1042-L1046 HydrophobicContact CD1-CD2 3.72Å; L1042-L1046 HydrophobicContact CG-CD2 3.83Å; L1042-L1046 WeakPolarHBondContact O-CD2 3.32Å; L1042-L1046 PolarHBondContact O-N 3.48Å; L1042-T1049 WeakPolarHBondContact CA-OG1 3.43Å; L1042-T1049 HydrophobicContact CD1-CG2 3.78Å; L1042-M1085 HydrophobicContact CB-CE 4.42Å |
| 1043 | G | 95.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -27.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1041 H1082 R1086 | S1041-G1043 VanDerWaalsContact C-N 3.34Å; S1041-G1043 PolarHBondContact O-N 2.97Å; G1043-H1082 WeakPolarHBondContact CA-ND1 3.26Å; G1043-R1086 WeakPolarHBondContact O-CG 3.21Å |
| 1044 | A | 96.5 | Very high | 97.6 | Very high | 22 Ų | 22 | 21.2 Ų | 21.2 | 18% | 0.182 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S1041 L1042 T1089 L1096 | S1041-A1044 PolarHBondContact O-N 3.48Å; S1041-A1044 VanDerWaalsContact O-N 3.12Å; S1041-A1044 WeakPolarHBondContact OG-CB 3.42Å; L1042-A1044 VanDerWaalsContact C-N 3.29Å; L1042-A1044 PolarHBondContact O-N 3.44Å; A1044-T1089 HydrophobicContact CB-CG2 4.35Å; A1044-T1089 WeakPolarHBondContact CB-OG1 3.4Å; A1044-L1096 HydrophobicContact CB-CD1 4.27Å |
| 1045 | Q | 96.4 | Very high | 97.7 | Very high | 91 Ų | 91 | 20.3 Ų | 20.3 | 43% | 0.425 | 10% | 0.102 | S | C | . | . | trans | -152.6 | 85.5 | -171 | -121.4 | -72.2 | 4 | 0 | 0 | 111.2 | S1041 N1047 Q1048 T1049 L1096 | S1041-Q1045 PolarHBondContact O-N 2.83Å; Q1045-N1047 PolarHBondContact O-N 3.5Å; Q1045-Q1048 HydrophobicContact CB-CB 3.96Å; Q1045-Q1048 HydrophobicContact CG-CB 4.39Å; Q1045-Q1048 PolarHBondContact O-N 3.37Å; Q1045-T1049 PolarHBondContact O-N 3.13Å; Q1045-T1049 VanDerWaalsContact O-N 3.15Å; Q1045-T1049 PolarHBondContact O-OG1 3.32Å; Q1045-L1096 HydrophobicContact CB-CD1 3.58Å; Q1045-L1096 HydrophobicContact CG-CD1 4.31Å | ||
| 1046 | L | 95.5 | Very high | 97.7 | Very high | 28 Ų | 28 | 20.3 Ų | 20.3 | 15% | 0.147 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.7 | -46.8 | -175.1 | -66.8 | 167.6 | 0 | 0 | 0 | 113.4 | I803 L1042 T1049 V1050 | I803-L1046 HydrophobicContact CB-CB 4.03Å; I803-L1046 HydrophobicContact CD1-CB 4.39Å; I803-L1046 HydrophobicContact CD1-CD2 4.21Å; I803-L1046 HydrophobicContact CG1-CB 3.92Å; I803-L1046 HydrophobicContact CG1-CD1 4.34Å; I803-L1046 HydrophobicContact CG1-CD2 4.08Å; I803-L1046 HydrophobicContact CG1-CG 4.34Å; I803-L1046 HydrophobicContact CG2-CB 3.97Å; I803-L1046 HydrophobicContact CG2-CD1 4.31Å; L1042-L1046 HydrophobicContact CD1-CD2 3.72Å; L1042-L1046 HydrophobicContact CG-CD2 3.83Å; L1042-L1046 WeakPolarHBondContact O-CD2 3.32Å; L1042-L1046 PolarHBondContact O-N 3.48Å; L1046-T1049 WeakPolarHBondContact O-CB 3.46Å; L1046-T1049 PolarHBondContact O-N 3.48Å; L1046-V1050 PolarHBondContact O-N 2.85Å |
| 1047 | N | 94.9 | Very high | 97.6 | Very high | 72 Ų | 72 | 21.4 Ų | 21.4 | 39% | 0.385 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -76.7 | -30 | -175.7 | -75.8 | -39.4 | 0 | 0 | 0 | 112.8 | I803 Q1045 T1049 K1051 | I803-N1047 WeakPolarHBondContact CG2-OD1 3.43Å; I803-N1047 PolarHBondContact N-OD1 3.47Å; Q1045-N1047 PolarHBondContact O-N 3.5Å; N1047-T1049 VanDerWaalsContact C-N 3.28Å; N1047-K1051 VanDerWaalsContact O-CB 3.29Å; N1047-K1051 WeakPolarHBondContact O-CB 3.4Å; N1047-K1051 PolarHBondContact O-N 2.91Å |
| 1048 | Q | 97.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.047 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 170.8 | -175.7 | -89.4 | -7.9 | 0 | 0 | 110.9 | Q1039 Q1045 K1051 A1052 D1114 | Q1039-Q1048 PolarHBondContact O-NE2 3.34Å; Q1045-Q1048 HydrophobicContact CB-CB 3.96Å; Q1045-Q1048 HydrophobicContact CG-CB 4.39Å; Q1045-Q1048 PolarHBondContact O-N 3.37Å; Q1048-K1051 PolarHBondContact O-N 2.94Å; Q1048-A1052 VanDerWaalsContact O-CB 3.32Å; Q1048-A1052 WeakPolarHBondContact O-CB 3.41Å; Q1048-A1052 PolarHBondContact O-N 2.73Å; Q1048-D1114 HydrophobicContact CG-CB 3.9Å; Q1048-D1114 VanDerWaalsContact CG-OD2 3.32Å; Q1048-D1114 WeakPolarHBondContact CG-OD2 3.41Å; Q1048-D1114 PolarHBondContact NE2-OD2 3.05Å |
| 1049 | T | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -50.9 | 177 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | Y827 L830 I1040 L1042 Q1045 L1046 N1047 K1051 A1052 I1053 | Y827-T1049 HydrophobicContact CD1-CG2 4.19Å; Y827-T1049 HydrophobicContact CE1-CG2 4.1Å; L830-T1049 HydrophobicContact CD2-CG2 3.93Å; I1040-T1049 HydrophobicContact CD1-CG2 3.82Å; L1042-T1049 WeakPolarHBondContact CA-OG1 3.43Å; L1042-T1049 HydrophobicContact CD1-CG2 3.78Å; Q1045-T1049 PolarHBondContact O-N 3.13Å; Q1045-T1049 VanDerWaalsContact O-N 3.15Å; Q1045-T1049 PolarHBondContact O-OG1 3.32Å; L1046-T1049 WeakPolarHBondContact O-CB 3.46Å; L1046-T1049 PolarHBondContact O-N 3.48Å; N1047-T1049 VanDerWaalsContact C-N 3.28Å; T1049-K1051 VanDerWaalsContact C-N 3.32Å; T1049-K1051 PolarHBondContact O-N 3.43Å; T1049-A1052 PolarHBondContact O-N 2.85Å; T1049-I1053 HydrophobicContact CG2-CD1 4.07Å; T1049-I1053 WeakPolarHBondContact O-CG1 3.3Å; T1049-I1053 PolarHBondContact O-N 2.94Å; T1049-I1053 VanDerWaalsContact O-N 3.13Å |
| 1050 | V | 97.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | I803 L830 L1046 A1052 I1053 Q1054 | I803-V1050 HydrophobicContact CB-CG2 4.22Å; I803-V1050 HydrophobicContact CD1-CG2 3.97Å; L830-V1050 HydrophobicContact CD1-CG2 4.26Å; L830-V1050 HydrophobicContact CD2-CG2 4.02Å; L1046-V1050 PolarHBondContact O-N 2.85Å; V1050-A1052 PolarHBondContact O-N 2.99Å; V1050-I1053 PolarHBondContact O-N 2.88Å; V1050-Q1054 HydrophobicContact CG1-CG 4.46Å; V1050-Q1054 WeakPolarHBondContact O-CG 3.44Å; V1050-Q1054 PolarHBondContact O-N 3.38Å |
| 1051 | K | 97.7 | Very high | 97.3 | Very high | 91 Ų | 91 | 30 Ų | 30 | 40% | 0.396 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 179.4 | -178.1 | 174.1 | 177.8 | 178.9 | 0 | 112.3 | N1047 Q1048 T1049 I1053 Q1054 E1055 | N1047-K1051 VanDerWaalsContact O-CB 3.29Å; N1047-K1051 WeakPolarHBondContact O-CB 3.4Å; N1047-K1051 PolarHBondContact O-N 2.91Å; Q1048-K1051 PolarHBondContact O-N 2.94Å; T1049-K1051 VanDerWaalsContact C-N 3.32Å; T1049-K1051 PolarHBondContact O-N 3.43Å; K1051-I1053 VanDerWaalsContact C-N 3.34Å; K1051-I1053 PolarHBondContact O-N 3.41Å; K1051-Q1054 PolarHBondContact O-N 3.03Å; K1051-E1055 WeakPolarHBondContact CE-OE1 3.34Å; K1051-E1055 HydrophobicContact CG-CG 4.38Å; K1051-E1055 IonicContact NZ-OE1 2.74Å; K1051-E1055 WeakPolarHBondContact O-CB 3.32Å; K1051-E1055 WeakPolarHBondContact O-CG 3.43Å; K1051-E1055 PolarHBondContact O-N 3.34Å |
| 1052 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1036 A1038 I1040 Q1048 T1049 V1050 A1056 R1098 | Y1036-A1052 WeakPolarHBondContact OH-CA 3.35Å; Y1036-A1052 PolarHBondContact OH-O 3.35Å; Y1036-A1052 VanDerWaalsContact OH-O 3.06Å; A1038-A1052 HydrophobicContact CB-CB 3.89Å; I1040-A1052 HydrophobicContact CG2-CB 3.48Å; I1040-A1052 VanDerWaalsContact CG2-CB 3.48Å; Q1048-A1052 VanDerWaalsContact O-CB 3.32Å; Q1048-A1052 WeakPolarHBondContact O-CB 3.41Å; Q1048-A1052 PolarHBondContact O-N 2.73Å; T1049-A1052 PolarHBondContact O-N 2.85Å; V1050-A1052 PolarHBondContact O-N 2.99Å; A1052-A1056 VanDerWaalsContact O-CB 3.23Å; A1052-A1056 WeakPolarHBondContact O-CB 3.46Å; A1052-A1056 PolarHBondContact O-N 3.02Å; A1052-R1098 HydrophobicContact CB-CG 4.12Å |
| 1053 | I | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 176 | -68 | 167.9 | 0 | 0 | 0 | 110.9 | L830 L831 L834 Y835 W958 T1049 V1050 K1051 E1057 I1065 | L830-I1053 HydrophobicContact CD2-CD1 3.85Å; L830-I1053 HydrophobicContact CG-CD1 4.32Å; L831-I1053 HydrophobicContact CD1-CG2 4.08Å; L834-I1053 HydrophobicContact CD1-CB 4.3Å; L834-I1053 HydrophobicContact CD1-CG2 3.66Å; Y835-I1053 HydrophobicContact CE2-CG2 3.9Å; W958-I1053 HydrophobicContact CH2-CG2 4.14Å; W958-I1053 HydrophobicContact CZ2-CG2 4.36Å; T1049-I1053 HydrophobicContact CG2-CD1 4.07Å; T1049-I1053 WeakPolarHBondContact O-CG1 3.3Å; T1049-I1053 PolarHBondContact O-N 2.94Å; T1049-I1053 VanDerWaalsContact O-N 3.13Å; V1050-I1053 PolarHBondContact O-N 2.88Å; K1051-I1053 VanDerWaalsContact C-N 3.34Å; K1051-I1053 PolarHBondContact O-N 3.41Å; I1053-E1057 WeakPolarHBondContact O-CB 3.42Å; I1053-E1057 PolarHBondContact O-N 2.83Å; I1053-E1057 VanDerWaalsContact O-N 3.08Å; I1053-I1065 HydrophobicContact CB-CD1 4.37Å; I1053-I1065 HydrophobicContact CG1-CD1 3.84Å |
| 1054 | Q | 97.8 | Very high | 97.5 | Very high | 58 Ų | 58 | 29.5 Ų | 29.5 | 27% | 0.271 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 176.3 | -73.9 | 173.5 | -37.2 | 0 | 0 | 112.8 | I801 Y835 V1050 K1051 A1058 | I801-Q1054 PolarHBondContact O-NE2 3.26Å; Y835-Q1054 WeakPolarHBondContact OH-CA 3.32Å; V1050-Q1054 HydrophobicContact CG1-CG 4.46Å; V1050-Q1054 WeakPolarHBondContact O-CG 3.44Å; V1050-Q1054 PolarHBondContact O-N 3.38Å; K1051-Q1054 PolarHBondContact O-N 3.03Å; Q1054-A1058 VanDerWaalsContact O-CB 3.32Å; Q1054-A1058 WeakPolarHBondContact O-CB 3.3Å; Q1054-A1058 PolarHBondContact O-N 2.88Å; Q1054-A1058 VanDerWaalsContact O-N 3.11Å |
| 1055 | E | 98.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 28.4 Ų | 28.4 | 17% | 0.173 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 178.9 | -75.5 | 178.5 | 175.9 | 0 | 0 | 112.5 | Y1036 K1051 Y1059 R1098 R1102 | Y1036-E1055 HydrophobicContact CE2-CB 3.66Å; Y1036-E1055 WeakPolarHBondContact OH-CB 3.29Å; Y1036-E1055 PolarHBondContact OH-OE2 3.08Å; K1051-E1055 WeakPolarHBondContact CE-OE1 3.34Å; K1051-E1055 HydrophobicContact CG-CG 4.38Å; K1051-E1055 IonicContact NZ-OE1 2.74Å; K1051-E1055 WeakPolarHBondContact O-CB 3.32Å; K1051-E1055 WeakPolarHBondContact O-CG 3.43Å; K1051-E1055 PolarHBondContact O-N 3.34Å; E1055-Y1059 PolarHBondContact O-N 3.49Å; E1055-Y1059 VanDerWaalsContact O-N 3.13Å; E1055-R1098 IonicContact OE1-NH1 3.44Å; E1055-R1098 PolarHBondContact OE1-NH1 3.15Å; E1055-R1098 WeakPolarHBondContact OE2-CD 3.38Å; E1055-R1098 IonicContact OE2-CZ 2.76Å; E1055-R1098 IonicContact OE2-NE 2.82Å; E1055-R1098 IonicContact OE2-NH1 3.05Å; E1055-R1098 PolarHBondContact OE2-NH1 3.29Å; E1055-R1102 PolarHBondContact O-NH2 3.4Å |
| 1056 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N985 Y1036 A1052 A1058 Y1059 S1063 I1065 | N985-A1056 PolarHBondContact OD1-O 2.74Å; N985-A1056 VanDerWaalsContact OD1-O 3.06Å; Y1036-A1056 HydrophobicContact CD1-CB 3.73Å; Y1036-A1056 HydrophobicContact CE1-CB 3.53Å; A1052-A1056 VanDerWaalsContact O-CB 3.23Å; A1052-A1056 WeakPolarHBondContact O-CB 3.46Å; A1052-A1056 PolarHBondContact O-N 3.02Å; A1056-A1058 VanDerWaalsContact C-N 3.31Å; A1056-A1058 PolarHBondContact O-N 3.4Å; A1056-Y1059 WeakPolarHBondContact O-CB 3.5Å; A1056-Y1059 PolarHBondContact O-N 3.07Å; A1056-Y1059 VanDerWaalsContact O-N 3.12Å; A1056-S1063 PolarHBondContact O-OG 3.39Å; A1056-I1065 HydrophobicContact CB-CD1 3.69Å; A1056-I1065 HydrophobicContact CB-CG1 4.04Å |
| 1057 | E | 97.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 22.8 Ų | 22.8 | 11% | 0.107 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.6 | -35.8 | -177.5 | -165.9 | -87.1 | 167 | 0 | 0 | 112.4 | Y835 R838 S956 W958 N985 I1053 Y1059 | Y835-E1057 HydrophobicContact CD1-CG 4.16Å; Y835-E1057 HydrophobicContact CD2-CB 4.38Å; Y835-E1057 HydrophobicContact CD2-CG 3.92Å; Y835-E1057 HydrophobicContact CE1-CB 4.34Å; Y835-E1057 HydrophobicContact CE1-CG 3.89Å; Y835-E1057 WeakPolarHBondContact CE1-OE2 3.32Å; Y835-E1057 HydrophobicContact CE2-CB 3.61Å; Y835-E1057 HydrophobicContact CE2-CG 3.59Å; Y835-E1057 HydrophobicContact CG-CG 4.19Å; R838-E1057 IonicContact CZ-OE1 3.66Å; R838-E1057 IonicContact NH1-OE1 2.8Å; R838-E1057 PolarHBondContact NH1-OE1 3.35Å; R838-E1057 IonicContact NH2-OE1 3.5Å; R838-E1057 PolarHBondContact NH2-OE1 3.45Å; R838-E1057 IonicContact NH2-OE2 2.77Å; R838-E1057 PolarHBondContact NH2-OE2 2.91Å; S956-E1057 WeakPolarHBondContact OG-CG 3.34Å; S956-E1057 PolarHBondContact OG-OE1 3.39Å; W958-E1057 HydrophobicContact CZ2-CB 4.23Å; W958-E1057 HydrophobicContact CZ2-CG 4.42Å; N985-E1057 WeakPolarHBondContact OD1-CA 3.48Å; I1053-E1057 WeakPolarHBondContact O-CB 3.42Å; I1053-E1057 PolarHBondContact O-N 2.83Å; I1053-E1057 VanDerWaalsContact O-N 3.08Å; E1057-Y1059 VanDerWaalsContact C-N 3.26Å; E1057-Y1059 PolarHBondContact O-N 2.56Å |
| 1058 | A | 96.8 | Very high | 98.1 | Very high | 59 Ų | 59 | 19.4 Ų | 19.4 | 49% | 0.488 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1054 A1056 P1060 R1102 | Q1054-A1058 VanDerWaalsContact O-CB 3.32Å; Q1054-A1058 WeakPolarHBondContact O-CB 3.3Å; Q1054-A1058 PolarHBondContact O-N 2.88Å; Q1054-A1058 VanDerWaalsContact O-N 3.11Å; A1056-A1058 VanDerWaalsContact C-N 3.31Å; A1056-A1058 PolarHBondContact O-N 3.4Å; A1058-P1060 WeakPolarHBondContact O-CD 3.28Å; A1058-R1102 VanDerWaalsContact C-NH1 3.31Å; A1058-R1102 PolarHBondContact O-NH1 3.46Å |
| 1059 | Y | 97.8 | Very high | 98.2 | Very high | 23 Ų | 23 | 18.9 Ų | 18.9 | 9% | 0.09 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -75.6 | 123.1 | 178.9 | -179.4 | -116.2 | 0 | 0 | 0 | 109.5 | N983 H1034 E1055 A1056 E1057 G1061 P1062 P1101 R1102 | N983-Y1059 PolarHBondContact OD1-O 3.29Å; H1034-Y1059 WeakPolarHBondContact O-CE1 3.44Å; H1034-Y1059 PolarHBondContact O-OH 3.13Å; E1055-Y1059 PolarHBondContact O-N 3.49Å; E1055-Y1059 VanDerWaalsContact O-N 3.13Å; A1056-Y1059 WeakPolarHBondContact O-CB 3.5Å; A1056-Y1059 PolarHBondContact O-N 3.07Å; A1056-Y1059 VanDerWaalsContact O-N 3.12Å; E1057-Y1059 VanDerWaalsContact C-N 3.26Å; E1057-Y1059 PolarHBondContact O-N 2.56Å; Y1059-G1061 PolarHBondContact O-N 3.36Å; Y1059-P1062 WeakPolarHBondContact CE1-O 2.99Å; Y1059-P1101 HydrophobicContact CE1-CG 4.49Å; Y1059-P1101 HydrophobicContact CE2-CB 4.06Å; Y1059-P1101 HydrophobicContact CE2-CG 4Å; Y1059-P1101 WeakPolarHBondContact OH-CG 3.4Å; Y1059-R1102 HydrophobicContact CD2-CG 3.9Å; Y1059-R1102 HydrophobicContact CE2-CG 3.92Å |
| 1060 | P | 96.2 | Very high | 98.2 | Very high | 97 Ų | 97 | 19 Ų | 19 | 63% | 0.63 | 11% | 0.106 | S | C | * | . | S | Bend | trans | -81.2 | 56.6 | -177.5 | 35 | -37 | 0 | 0 | 0 | 111.3 | A1058 | A1058-P1060 WeakPolarHBondContact O-CD 3.28Š|
| 1061 | G | 97.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -177.1 | -169.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E982 Y1059 S1063 | E982-G1061 CarbonylContact O-C 3.52Å; Y1059-G1061 PolarHBondContact O-N 3.36Å; G1061-S1063 PolarHBondContact O-N 3.43Å |
| 1062 | P | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | trans | -68.9 | 132.6 | -178.8 | 27.9 | -35.7 | 0 | 0 | 0 | 111.3 | L978 L980 V1035 Y1036 Y1059 | L978-P1062 HydrophobicContact CD2-CB 3.78Å; L980-P1062 WeakPolarHBondContact O-CG 3.45Å; V1035-P1062 HydrophobicContact CG2-CG 3.99Å; Y1036-P1062 PolarHBondContact N-O 3.32Å; Y1059-P1062 WeakPolarHBondContact CE1-O 2.99Å | ||
| 1063 | S | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136.1 | 178.6 | -72.2 | 0 | 0 | 0 | 0 | 111 | V984 N985 I986 Y1036 A1056 G1061 | V984-S1063 PolarHBondContact O-N 3.26Å; N985-S1063 WeakPolarHBondContact OD1-CB 3.18Å; I986-S1063 WeakPolarHBondContact CB-O 3.44Å; I986-S1063 PolarHBondContact N-O 3.2Å; Y1036-S1063 CarbonylContact O-C 3.51Å; Y1036-S1063 WeakPolarHBondContact O-CA 3.49Å; A1056-S1063 PolarHBondContact O-OG 3.39Å; G1061-S1063 PolarHBondContact O-N 3.43Å |
| 1064 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122 | 174.6 | 174.4 | 64.6 | 0 | 0 | 0 | 110.6 | L978 I986 V988 L1025 M1029 Y1036 V1037 A1038 I1066 | L978-L1064 HydrophobicContact CD1-CB 4.25Å; L978-L1064 HydrophobicContact CD1-CD2 4.14Å; L978-L1064 HydrophobicContact CD2-CB 4.42Å; I986-L1064 HydrophobicContact CB-CD1 4.01Å; I986-L1064 HydrophobicContact CG2-CD1 3.81Å; V988-L1064 HydrophobicContact CG2-CD1 3.68Å; L1025-L1064 HydrophobicContact CD2-CD1 4.5Å; L1025-L1064 HydrophobicContact CD2-CD2 4.18Å; L1025-L1064 HydrophobicContact CG-CD2 3.99Å; M1029-L1064 HydrophobicContact CB-CD2 3.96Å; M1029-L1064 HydrophobicContact CG-CD2 3.7Å; Y1036-L1064 PolarHBondContact O-N 3Å; V1037-L1064 CarbonylContact C-O 3.56Å; V1037-L1064 VanDerWaalsContact CA-O 3.3Å; V1037-L1064 WeakPolarHBondContact CA-O 3.29Å; V1037-L1064 HydrophobicContact CG1-CD2 4.36Å; V1037-L1064 HydrophobicContact CG2-CB 4.47Å; A1038-L1064 PolarHBondContact N-O 3.12Å; L1064-I1066 HydrophobicContact CD1-CG1 4.33Å; L1064-I1066 HydrophobicContact CD2-CD1 4.25Å; L1064-I1066 HydrophobicContact CD2-CG1 4.29Å; L1064-I1066 HydrophobicContact CG-CG1 4.11Å |
| 1065 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.3 | 172.4 | -57 | -177.7 | 0 | 0 | 0 | 108.8 | W958 I986 L987 V988 A1038 I1040 I1053 A1056 | W958-I1065 HydrophobicContact CH2-CD1 3.85Å; W958-I1065 HydrophobicContact CZ3-CD1 4.03Å; I986-I1065 PolarHBondContact O-N 3.38Å; L987-I1065 HydrophobicContact CD1-CB 4.06Å; L987-I1065 HydrophobicContact CD1-CG2 3.82Å; V988-I1065 PolarHBondContact N-O 3.16Å; A1038-I1065 CarbonylContact O-C 3.56Å; A1038-I1065 WeakPolarHBondContact O-CA 3.36Å; I1040-I1065 HydrophobicContact CD1-CG2 3.4Å; I1040-I1065 VanDerWaalsContact CD1-CG2 3.4Å; I1040-I1065 HydrophobicContact CG1-CG2 3.7Å; I1040-I1065 HydrophobicContact CG2-CG2 4.21Å; I1053-I1065 HydrophobicContact CB-CD1 4.37Å; I1053-I1065 HydrophobicContact CG1-CD1 3.84Å; A1056-I1065 HydrophobicContact CB-CD1 3.69Å; A1056-I1065 HydrophobicContact CB-CG1 4.04Å |
| 1066 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 110.1 | 175.4 | -49.1 | 174 | 0 | 0 | 0 | 108.3 | D990 L1025 A1038 Q1039 I1040 L1064 W1094 | D990-I1066 HydrophobicContact CB-CG2 3.99Å; L1025-I1066 HydrophobicContact CB-CD1 4.03Å; L1025-I1066 HydrophobicContact CD2-CD1 4.21Å; L1025-I1066 HydrophobicContact CG-CD1 4.19Å; A1038-I1066 PolarHBondContact O-N 2.97Å; Q1039-I1066 WeakPolarHBondContact CA-O 3.13Å; I1040-I1066 PolarHBondContact N-O 2.75Å; L1064-I1066 HydrophobicContact CD1-CG1 4.33Å; L1064-I1066 HydrophobicContact CD2-CD1 4.25Å; L1064-I1066 HydrophobicContact CD2-CG1 4.29Å; L1064-I1066 HydrophobicContact CG-CG1 4.11Å; I1066-W1094 HydrophobicContact CG2-CH2 3.82Å; I1066-W1094 HydrophobicContact CG2-CZ2 3.86Å |
| 1067 | A | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 116 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y827 L987 V988 D990 I1040 S1069 | Y827-A1067 HydrophobicContact CD1-CB 4.05Å; Y827-A1067 HydrophobicContact CD2-CB 4.06Å; Y827-A1067 HydrophobicContact CE1-CB 3.89Å; Y827-A1067 HydrophobicContact CE2-CB 3.91Å; Y827-A1067 HydrophobicContact CG-CB 4.12Å; L987-A1067 HydrophobicContact CD1-CB 3.99Å; V988-A1067 PolarHBondContact O-N 2.84Å; D990-A1067 PolarHBondContact N-O 3.38Å; I1040-A1067 HydrophobicContact CD1-CB 3.85Å; I1040-A1067 HydrophobicContact CG1-CB 3.69Å; A1067-S1069 PolarHBondContact O-N 2.69Å; A1067-S1069 VanDerWaalsContact O-N 3.16Å; A1067-S1069 PolarHBondContact O-OG 2.9Å |
| 1068 | Y | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 120.6 | 173.9 | -174.7 | -99.8 | 0 | 0 | 0 | 110.1 | Y827 Q992 I1040 P1070 M1085 L1088 W1094 | Y827-Y1068 WeakPolarHBondContact CE2-O 3.36Å; Y827-Y1068 PolarHBondContact OH-O 3.09Å; Q992-Y1068 HydrophobicContact CG-CE2 4.5Å; I1040-Y1068 PolarHBondContact O-N 3.06Å; I1040-Y1068 VanDerWaalsContact O-N 3.16Å; Y1068-P1070 HydrophobicContact CD1-CG 4.19Å; Y1068-P1070 HydrophobicContact CE1-CG 3.93Å; Y1068-P1070 WeakPolarHBondContact O-CD 3.45Å; Y1068-M1085 HydrophobicContact CD1-CE 4.15Å; Y1068-M1085 HydrophobicContact CD1-CG 3.74Å; Y1068-M1085 HydrophobicContact CE1-CG 3.9Å; Y1068-M1085 WeakPolarHBondContact O-CE 3.43Å; Y1068-L1088 HydrophobicContact CE1-CD1 3.81Å; Y1068-L1088 HydrophobicContact CE2-CD1 4.19Å; Y1068-L1088 VanDerWaalsContact CZ-CD1 3.45Å; Y1068-L1088 WeakPolarHBondContact OH-CD1 3.42Å; Y1068-W1094 AromaticContact CD2-CD2 3.85Å; Y1068-W1094 HydrophobicContact CD2-CD2 3.85Å; Y1068-W1094 AromaticContact CD2-CE3 3.59Å; Y1068-W1094 HydrophobicContact CD2-CE3 3.59Å; Y1068-W1094 HydrophobicContact CD2-CG 4.41Å; Y1068-W1094 HydrophobicContact CD2-CH2 4.39Å; Y1068-W1094 AromaticContact CD2-CZ3 3.88Å; Y1068-W1094 HydrophobicContact CD2-CZ3 3.88Å; Y1068-W1094 HydrophobicContact CE2-CE3 4.39Å; Y1068-W1094 HydrophobicContact CG-CD2 4.18Å; Y1068-W1094 HydrophobicContact CG-CE3 4.36Å; Y1068-W1094 HydrophobicContact CG-CG 4.48Å |
| 1069 | S | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -122.5 | 96.3 | -171.6 | -61 | 0 | 0 | 0 | 0 | 110 | D990 T991 A1067 | D990-S1069 PolarHBondContact O-N 2.97Å; T991-S1069 WeakPolarHBondContact CA-O 3.16Å; A1067-S1069 PolarHBondContact O-N 2.69Å; A1067-S1069 VanDerWaalsContact O-N 3.16Å; A1067-S1069 PolarHBondContact O-OG 2.9Å | ||
| 1070 | P | 98 | Very high | 96.3 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | trans | -49.2 | 137.4 | 172.6 | -31.3 | 36.3 | 0 | 0 | 0 | 113.4 | G823 Y1068 Y1076 L1078 M1085 | G823-P1070 VanDerWaalsContact CA-O 3.3Å; G823-P1070 WeakPolarHBondContact CA-O 3.46Å; G823-P1070 PolarHBondContact N-O 3.47Å; Y1068-P1070 HydrophobicContact CD1-CG 4.19Å; Y1068-P1070 HydrophobicContact CE1-CG 3.93Å; Y1068-P1070 WeakPolarHBondContact O-CD 3.45Å; P1070-Y1076 WeakPolarHBondContact CB-OH 3.36Å; P1070-L1078 HydrophobicContact CB-CD2 4.11Å; P1070-M1085 HydrophobicContact CG-CE 4.43Å; P1070-M1085 HydrophobicContact CG-CG 3.9Å; P1070-M1085 HydrophobicContact CG-SD 3.65Å | ||
| 1071 | C | 96.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 20.8 Ų | 20.8 | 7% | 0.074 | 11% | 0.112 | C | C | . | . | trans | -137 | 150.9 | -176.8 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | T991 S995 E1073 H1074 | T991-C1071 HydrophobicContact CG2-CB 4.33Å; S995-C1071 PolarHBondContact OG-SG 3.25Å; C1071-E1073 PolarHBondContact O-N 3.4Å; C1071-E1073 VanDerWaalsContact O-N 3.17Å; C1071-H1074 PolarHBondContact N-CE1 3.14Å; C1071-H1074 VanDerWaalsContact N-CE1 3.34Å; C1071-H1074 PolarHBondContact N-ND1 2.86Å; C1071-H1074 VanDerWaalsContact O-CB 3.29Å; C1071-H1074 WeakPolarHBondContact O-CB 3.41Å; C1071-H1074 PolarHBondContact O-N 3.32Å | ||
| 1072 | E | 92.2 | Very high | 96.3 | Very high | 73 Ų | 73 | 21.4 Ų | 21.4 | 34% | 0.341 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -58.7 | -27.5 | 176.3 | 68.2 | -167.7 | 160.3 | 0 | 0 | 112.5 | C819 H1074 G1075 L1078 | C819-E1072 PolarHBondContact SG-OE1 2.92Å; E1072-H1074 PolarHBondContact O-N 3.22Å; E1072-G1075 WeakPolarHBondContact O-CA 3.12Å; E1072-G1075 PolarHBondContact O-N 3.39Å; E1072-L1078 HydrophobicContact CB-CD1 4.43Å |
| 1073 | E | 93.2 | Very high | 96.2 | Very high | 76 Ų | 76 | 24.5 Ų | 24.5 | 36% | 0.355 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -64.9 | -14.6 | 174.2 | -64.7 | -60.4 | 157.8 | 0 | 0 | 113.5 | C1071 G1075 | C1071-E1073 PolarHBondContact O-N 3.4Å; C1071-E1073 VanDerWaalsContact O-N 3.17Å; E1073-G1075 VanDerWaalsContact C-N 3.27Å |
| 1074 | H | 95.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -74.2 | -23.7 | 171.2 | -55.6 | 165.7 | 0 | 0 | 0 | 111.4 | T991 C1071 E1072 Y1076 E1129 Q1130 R1131 | T991-H1074 PolarHBondContact O-NE2 3.19Å; C1071-H1074 PolarHBondContact N-CE1 3.14Å; C1071-H1074 VanDerWaalsContact N-CE1 3.34Å; C1071-H1074 PolarHBondContact N-ND1 2.86Å; C1071-H1074 VanDerWaalsContact O-CB 3.29Å; C1071-H1074 WeakPolarHBondContact O-CB 3.41Å; C1071-H1074 PolarHBondContact O-N 3.32Å; E1072-H1074 PolarHBondContact O-N 3.22Å; H1074-Y1076 HydrophobicContact CB-CD1 3.76Å; H1074-Y1076 HydrophobicContact CB-CE1 3.64Å; H1074-E1129 CarbonylContact O-C 3.56Å; H1074-E1129 WeakPolarHBondContact O-CB 3.37Å; H1074-Q1130 PolarHBondContact O-N 2.95Å; H1074-R1131 PolarHBondContact CD2-NH1 2.97Å; H1074-R1131 PolarHBondContact O-N 2.94Å |
| 1075 | G | 92 | Very high | 96.1 | Very high | 29 Ų | 29 | 25.2 Ų | 25.2 | 30% | 0.299 | 14% | 0.135 | S | C | . | . | trans | 73.9 | 48.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1072 E1073 Q1130 | E1072-G1075 WeakPolarHBondContact O-CA 3.12Å; E1072-G1075 PolarHBondContact O-N 3.39Å; E1073-G1075 VanDerWaalsContact C-N 3.27Å; G1075-Q1130 WeakPolarHBondContact O-CB 3.35Å; G1075-Q1130 PolarHBondContact O-N 3.01Å; G1075-Q1130 VanDerWaalsContact O-N 3.15Å | ||
| 1076 | Y | 93.5 | Very high | 96 | Very high | 30 Ų | 30 | 30.6 Ų | 30.6 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -140.4 | 169.4 | 167.2 | 71.3 | -82.6 | 0 | 0 | 0 | 109.7 | P1070 H1074 L1078 Q1084 E1129 | P1070-Y1076 WeakPolarHBondContact CB-OH 3.36Å; H1074-Y1076 HydrophobicContact CB-CD1 3.76Å; H1074-Y1076 HydrophobicContact CB-CE1 3.64Å; Y1076-L1078 HydrophobicContact CE1-CD2 4.37Å; Y1076-L1078 HydrophobicContact CE2-CD2 4.33Å; Y1076-L1078 PolarHBondContact O-N 3.2Å; Y1076-Q1084 HydrophobicContact CE1-CG 4.41Å; Y1076-Q1084 HydrophobicContact CE2-CB 4.06Å; Y1076-Q1084 HydrophobicContact CE2-CG 4.28Å; Y1076-E1129 HydrophobicContact CD1-CB 4.41Å; Y1076-E1129 HydrophobicContact CD1-CG 3.82Å; Y1076-E1129 HydrophobicContact CE1-CG 4.1Å |
| 1077 | D | 92.4 | Very high | 95.9 | Very high | 102 Ų | 102 | 32.2 Ų | 32.2 | 55% | 0.545 | 16% | 0.163 | S | C | . | . | trans | -70.4 | 115.6 | 177.2 | -173.8 | -7.6 | 0 | 0 | 0 | 110.7 | A1079 L1080 | D1077-A1079 PolarHBondContact O-N 3.2Å; D1077-A1079 VanDerWaalsContact O-N 3.13Å; D1077-A1079 VanDerWaalsContact OD1-CB 3.31Å; D1077-A1079 WeakPolarHBondContact OD1-CB 3.03Å; D1077-A1079 PolarHBondContact OD1-N 3.38Å; D1077-L1080 WeakPolarHBondContact O-CB 3.23Å; D1077-L1080 PolarHBondContact O-N 3.17Å | ||
| 1078 | L | 95.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -66.5 | -12.1 | -178.6 | -62.9 | -177.1 | 0 | 0 | 0 | 113.4 | G821 P1070 E1072 Y1076 L1080 S1081 | G821-L1078 WeakPolarHBondContact O-CD1 3.47Å; P1070-L1078 HydrophobicContact CB-CD2 4.11Å; E1072-L1078 HydrophobicContact CB-CD1 4.43Å; Y1076-L1078 HydrophobicContact CE1-CD2 4.37Å; Y1076-L1078 HydrophobicContact CE2-CD2 4.33Å; Y1076-L1078 PolarHBondContact O-N 3.2Å; L1078-L1080 PolarHBondContact O-N 3.3Å; L1078-S1081 WeakPolarHBondContact O-CB 3.43Å; L1078-S1081 PolarHBondContact O-N 3.48Å; L1078-S1081 VanDerWaalsContact O-N 3.12Å; L1078-S1081 PolarHBondContact O-OG 3.21Å |
| 1079 | A | 94.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -57.3 | -28.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C748 N749 L750 E753 D1077 | C748-A1079 VanDerWaalsContact O-CB 3.3Å; C748-A1079 WeakPolarHBondContact O-CB 3.39Å; N749-A1079 HydrophobicContact CB-CB 4.1Å; L750-A1079 VanDerWaalsContact CD1-O 3.26Å; L750-A1079 WeakPolarHBondContact CD1-O 3.23Å; E753-A1079 WeakPolarHBondContact CB-O 3.02Å; E753-A1079 HydrophobicContact CG-CB 4.2Å; D1077-A1079 PolarHBondContact O-N 3.2Å; D1077-A1079 VanDerWaalsContact O-N 3.13Å; D1077-A1079 VanDerWaalsContact OD1-CB 3.31Å; D1077-A1079 WeakPolarHBondContact OD1-CB 3.03Å; D1077-A1079 PolarHBondContact OD1-N 3.38Å |
| 1080 | L | 96.1 | Very high | 95.5 | Very high | 90 Ų | 90 | 34 Ų | 34 | 47% | 0.471 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -94 | 3.6 | -179.6 | -55.3 | 178.3 | 0 | 0 | 0 | 113.3 | E753 D1077 L1078 H1082 D1083 Q1084 | E753-L1080 HydrophobicContact CG-CD2 4.38Å; D1077-L1080 WeakPolarHBondContact O-CB 3.23Å; D1077-L1080 PolarHBondContact O-N 3.17Å; L1078-L1080 PolarHBondContact O-N 3.3Å; L1080-H1082 VanDerWaalsContact C-N 3.32Å; L1080-H1082 PolarHBondContact O-N 3.07Å; L1080-D1083 PolarHBondContact O-N 3.1Å; L1080-Q1084 PolarHBondContact O-N 3.35Å; L1080-Q1084 VanDerWaalsContact O-N 3.07Å |
| 1081 | S | 97 | Very high | 95.3 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.028 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.3 | -39.4 | -172.6 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | L1078 D1083 Q1084 M1085 | L1078-S1081 WeakPolarHBondContact O-CB 3.43Å; L1078-S1081 PolarHBondContact O-N 3.48Å; L1078-S1081 VanDerWaalsContact O-N 3.12Å; L1078-S1081 PolarHBondContact O-OG 3.21Å; S1081-D1083 VanDerWaalsContact C-N 3.31Å; S1081-D1083 PolarHBondContact O-N 3.36Å; S1081-Q1084 PolarHBondContact O-N 3.37Å; S1081-M1085 WeakPolarHBondContact O-CB 3.35Å; S1081-M1085 WeakPolarHBondContact O-CG 3.36Å; S1081-M1085 PolarHBondContact O-N 3.15Å |
| 1082 | H | 96.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 34 Ų | 34 | 7% | 0.069 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -34.5 | 177.2 | -87.1 | -132.6 | 0 | 0 | 0 | 113.2 | V754 G1043 L1080 R1086 | V754-H1082 HydrophobicContact CG1-CB 3.79Å; V754-H1082 WeakPolarHBondContact CG1-ND1 3.44Å; G1043-H1082 WeakPolarHBondContact CA-ND1 3.26Å; L1080-H1082 VanDerWaalsContact C-N 3.32Å; L1080-H1082 PolarHBondContact O-N 3.07Å; H1082-R1086 PolarHBondContact O-N 3Å |
| 1083 | D | 96 | Very high | 95.2 | Very high | 67 Ų | 67 | 30.8 Ų | 30.8 | 36% | 0.358 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -73 | -45 | 177 | -160.8 | 55.2 | 0 | 0 | 0 | 110.9 | L1080 S1081 M1085 R1086 Q1087 | L1080-D1083 PolarHBondContact O-N 3.1Å; S1081-D1083 VanDerWaalsContact C-N 3.31Å; S1081-D1083 PolarHBondContact O-N 3.36Å; D1083-M1085 VanDerWaalsContact C-N 3.29Å; D1083-M1085 PolarHBondContact O-N 2.92Å; D1083-R1086 WeakPolarHBondContact O-CB 3.41Å; D1083-R1086 PolarHBondContact O-N 3.15Å; D1083-R1086 IonicContact OD1-CZ 3.15Å; D1083-R1086 IonicContact OD1-NE 2.65Å; D1083-R1086 PolarHBondContact OD1-NE 3.34Å; D1083-R1086 IonicContact OD1-NH2 2.78Å; D1083-R1086 PolarHBondContact OD1-NH2 3.46Å; D1083-Q1087 WeakPolarHBondContact O-CG 3.31Å; D1083-Q1087 PolarHBondContact O-N 2.83Å; D1083-Q1087 PolarHBondContact OD2-NE2 3.43Å |
| 1084 | Q | 96.8 | Very high | 95.3 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.8 | -43 | 173.7 | -172.7 | 64 | 10.9 | 0 | 0 | 111.5 | Y1076 L1080 S1081 R1086 Q1087 L1088 T1125 H1128 E1129 | Y1076-Q1084 HydrophobicContact CE1-CG 4.41Å; Y1076-Q1084 HydrophobicContact CE2-CB 4.06Å; Y1076-Q1084 HydrophobicContact CE2-CG 4.28Å; L1080-Q1084 PolarHBondContact O-N 3.35Å; L1080-Q1084 VanDerWaalsContact O-N 3.07Å; S1081-Q1084 PolarHBondContact O-N 3.37Å; Q1084-R1086 VanDerWaalsContact C-N 3.33Å; Q1084-R1086 PolarHBondContact O-N 3.1Å; Q1084-Q1087 PolarHBondContact O-N 3.04Å; Q1084-L1088 HydrophobicContact CG-CD1 3.97Å; Q1084-L1088 HydrophobicContact CG-CG 4.33Å; Q1084-L1088 WeakPolarHBondContact O-CB 3.47Å; Q1084-L1088 VanDerWaalsContact O-CG 3.23Å; Q1084-L1088 WeakPolarHBondContact O-CG 3.29Å; Q1084-L1088 PolarHBondContact O-N 3.46Å; Q1084-T1125 PolarHBondContact NE2-O 3.15Å; Q1084-H1128 PolarHBondContact OE1-ND1 3.14Å; Q1084-H1128 VanDerWaalsContact OE1-ND1 3.1Å; Q1084-E1129 PolarHBondContact NE2-OE1 2.84Å |
| 1085 | M | 97.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 175.1 | -75.4 | 170.5 | 93.3 | 0 | 0 | 113.1 | Y827 S1041 L1042 Y1068 P1070 S1081 D1083 T1089 | Y827-M1085 WeakPolarHBondContact OH-CE 3.22Å; S1041-M1085 VanDerWaalsContact OG-CE 3.29Å; S1041-M1085 WeakPolarHBondContact OG-CE 3.5Å; L1042-M1085 HydrophobicContact CB-CE 4.42Å; Y1068-M1085 HydrophobicContact CD1-CE 4.15Å; Y1068-M1085 HydrophobicContact CD1-CG 3.74Å; Y1068-M1085 HydrophobicContact CE1-CG 3.9Å; Y1068-M1085 WeakPolarHBondContact O-CE 3.43Å; P1070-M1085 HydrophobicContact CG-CE 4.43Å; P1070-M1085 HydrophobicContact CG-CG 3.9Å; P1070-M1085 HydrophobicContact CG-SD 3.65Å; S1081-M1085 WeakPolarHBondContact O-CB 3.35Å; S1081-M1085 WeakPolarHBondContact O-CG 3.36Å; S1081-M1085 PolarHBondContact O-N 3.15Å; D1083-M1085 VanDerWaalsContact C-N 3.29Å; D1083-M1085 PolarHBondContact O-N 2.92Å; M1085-T1089 PolarHBondContact O-N 2.79Å; M1085-T1089 VanDerWaalsContact O-N 3.15Å; M1085-T1089 PolarHBondContact O-OG1 2.96Å |
| 1086 | R | 96.8 | Very high | 95.6 | Very high | 113 Ų | 113 | 25.9 Ų | 25.9 | 43% | 0.426 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -64.8 | -49.4 | 175.6 | -78.1 | -173.9 | -62.9 | -99.1 | 7.6 | 111.2 | G1043 H1082 D1083 Q1084 T1089 A1090 | G1043-R1086 WeakPolarHBondContact O-CG 3.21Å; H1082-R1086 PolarHBondContact O-N 3Å; D1083-R1086 WeakPolarHBondContact O-CB 3.41Å; D1083-R1086 PolarHBondContact O-N 3.15Å; D1083-R1086 IonicContact OD1-CZ 3.15Å; D1083-R1086 IonicContact OD1-NE 2.65Å; D1083-R1086 PolarHBondContact OD1-NE 3.34Å; D1083-R1086 IonicContact OD1-NH2 2.78Å; D1083-R1086 PolarHBondContact OD1-NH2 3.46Å; Q1084-R1086 VanDerWaalsContact C-N 3.33Å; Q1084-R1086 PolarHBondContact O-N 3.1Å; R1086-T1089 WeakPolarHBondContact O-CB 3.5Å; R1086-T1089 PolarHBondContact O-N 2.81Å; R1086-T1089 VanDerWaalsContact O-N 3.13Å; R1086-A1090 WeakPolarHBondContact O-CB 3.29Å; R1086-A1090 PolarHBondContact O-N 3.12Å |
| 1087 | Q | 96.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 24.5 Ų | 24.5 | 16% | 0.164 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | -179 | -64.9 | 174.1 | 4.9 | 0 | 0 | 111.3 | D1083 Q1084 T1089 A1090 T1091 T1125 H1128 | D1083-Q1087 WeakPolarHBondContact O-CG 3.31Å; D1083-Q1087 PolarHBondContact O-N 2.83Å; D1083-Q1087 PolarHBondContact OD2-NE2 3.43Å; Q1084-Q1087 PolarHBondContact O-N 3.04Å; Q1087-T1089 PolarHBondContact O-N 2.83Å; Q1087-A1090 PolarHBondContact O-N 3.05Å; Q1087-T1091 WeakPolarHBondContact O-CG2 3.35Å; Q1087-T1091 PolarHBondContact O-N 3.26Å; Q1087-T1091 PolarHBondContact O-OG1 3.18Å; Q1087-T1125 HydrophobicContact CB-CG2 3.57Å; Q1087-H1128 PolarHBondContact OE1-CE1 2.72Å; Q1087-H1128 PolarHBondContact OE1-ND1 3.4Å; Q1087-H1128 VanDerWaalsContact OE1-ND1 3.1Å |
| 1088 | L | 96.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.4 | -32.5 | 174.2 | -70.2 | 172.1 | 0 | 0 | 0 | 112.8 | Y1068 Q1084 T1091 F1093 W1094 T1125 L1126 | Y1068-L1088 HydrophobicContact CE1-CD1 3.81Å; Y1068-L1088 HydrophobicContact CE2-CD1 4.19Å; Y1068-L1088 VanDerWaalsContact CZ-CD1 3.45Å; Y1068-L1088 WeakPolarHBondContact OH-CD1 3.42Å; Q1084-L1088 HydrophobicContact CG-CD1 3.97Å; Q1084-L1088 HydrophobicContact CG-CG 4.33Å; Q1084-L1088 WeakPolarHBondContact O-CB 3.47Å; Q1084-L1088 VanDerWaalsContact O-CG 3.23Å; Q1084-L1088 WeakPolarHBondContact O-CG 3.29Å; Q1084-L1088 PolarHBondContact O-N 3.46Å; L1088-T1091 PolarHBondContact O-OG1 3.07Å; L1088-F1093 HydrophobicContact CB-CB 4.47Å; L1088-F1093 HydrophobicContact CB-CD1 4.26Å; L1088-F1093 HydrophobicContact CD2-CB 4.17Å; L1088-F1093 HydrophobicContact CD2-CD1 3.71Å; L1088-F1093 HydrophobicContact CD2-CE1 4.19Å; L1088-F1093 HydrophobicContact CD2-CG 3.95Å; L1088-F1093 HydrophobicContact CG-CD1 4.39Å; L1088-F1093 WeakPolarHBondContact O-CB 3.42Å; L1088-F1093 PolarHBondContact O-N 2.81Å; L1088-F1093 VanDerWaalsContact O-N 3.07Å; L1088-W1094 PolarHBondContact O-N 3.32Å; L1088-T1125 HydrophobicContact CD2-CG2 3.76Å; L1088-T1125 HydrophobicContact CG-CG2 4.02Å; L1088-L1126 HydrophobicContact CD2-CD2 3.91Å |
| 1089 | T | 96.4 | Very high | 96.3 | Very high | 14 Ų | 14 | 20.2 Ų | 20.2 | 9% | 0.086 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -73.3 | -40.6 | 173.7 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | A1044 M1085 R1086 Q1087 T1091 G1092 L1096 | A1044-T1089 HydrophobicContact CB-CG2 4.35Å; A1044-T1089 WeakPolarHBondContact CB-OG1 3.4Å; M1085-T1089 PolarHBondContact O-N 2.79Å; M1085-T1089 VanDerWaalsContact O-N 3.15Å; M1085-T1089 PolarHBondContact O-OG1 2.96Å; R1086-T1089 WeakPolarHBondContact O-CB 3.5Å; R1086-T1089 PolarHBondContact O-N 2.81Å; R1086-T1089 VanDerWaalsContact O-N 3.13Å; Q1087-T1089 PolarHBondContact O-N 2.83Å; T1089-T1091 VanDerWaalsContact C-N 3.34Å; T1089-T1091 PolarHBondContact O-N 3.13Å; T1089-G1092 PolarHBondContact O-N 3.2Å; T1089-G1092 VanDerWaalsContact O-N 3.15Å; T1089-L1096 HydrophobicContact CG2-CD1 3.97Å; T1089-L1096 HydrophobicContact CG2-CG 3.8Å |
| 1090 | A | 95.5 | Very high | 96.5 | Very high | 24 Ų | 24 | 20.6 Ų | 20.6 | 20% | 0.198 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.6 | -27.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1086 Q1087 G1092 P1118 S1119 E1120 | R1086-A1090 WeakPolarHBondContact O-CB 3.29Å; R1086-A1090 PolarHBondContact O-N 3.12Å; Q1087-A1090 PolarHBondContact O-N 3.05Å; A1090-G1092 VanDerWaalsContact C-N 3.28Å; A1090-P1118 CarbonylContact O-C 2.99Å; A1090-P1118 WeakPolarHBondContact O-CA 3.43Å; A1090-S1119 PolarHBondContact O-N 3.03Å; A1090-E1120 HydrophobicContact CB-CB 4.4Å; A1090-E1120 HydrophobicContact CB-CG 4.01Å |
| 1091 | T | 94.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 17.2 Ų | 17.2 | 6% | 0.055 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -6.8 | 172.6 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | Q1087 L1088 T1089 F1093 E1120 T1125 | Q1087-T1091 WeakPolarHBondContact O-CG2 3.35Å; Q1087-T1091 PolarHBondContact O-N 3.26Å; Q1087-T1091 PolarHBondContact O-OG1 3.18Å; L1088-T1091 PolarHBondContact O-OG1 3.07Å; T1089-T1091 VanDerWaalsContact C-N 3.34Å; T1089-T1091 PolarHBondContact O-N 3.13Å; T1091-F1093 PolarHBondContact O-N 3.07Å; T1091-F1093 WeakPolarHBondContact OG1-CB 2.84Å; T1091-F1093 PolarHBondContact OG1-N 3.47Å; T1091-E1120 HydrophobicContact CG2-CB 3.74Å; T1091-T1125 HydrophobicContact CG2-CG2 4.44Å; T1091-T1125 WeakPolarHBondContact CG2-OG1 3.37Å |
| 1092 | G | 92.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1089 A1090 W1094 P1095 | T1089-G1092 PolarHBondContact O-N 3.2Å; T1089-G1092 VanDerWaalsContact O-N 3.15Å; A1090-G1092 VanDerWaalsContact C-N 3.28Å; G1092-W1094 PolarHBondContact O-N 3.08Å; G1092-P1095 WeakPolarHBondContact O-CD 3.41Å |
| 1093 | F | 94.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -61.1 | -36.6 | 174.4 | -177.5 | -89.9 | 0 | 0 | 0 | 111.7 | P1006 R1022 L1088 T1091 L1122 L1126 L1154 | P1006-F1093 HydrophobicContact CB-CE2 3.69Å; P1006-F1093 HydrophobicContact CB-CZ 3.52Å; P1006-F1093 HydrophobicContact CG-CE2 4.31Å; P1006-F1093 HydrophobicContact CG-CZ 3.8Å; R1022-F1093 PolarHBondContact NH2-O 3.24Å; L1088-F1093 HydrophobicContact CB-CB 4.47Å; L1088-F1093 HydrophobicContact CB-CD1 4.26Å; L1088-F1093 HydrophobicContact CD2-CB 4.17Å; L1088-F1093 HydrophobicContact CD2-CD1 3.71Å; L1088-F1093 HydrophobicContact CD2-CE1 4.19Å; L1088-F1093 HydrophobicContact CD2-CG 3.95Å; L1088-F1093 HydrophobicContact CG-CD1 4.39Å; L1088-F1093 WeakPolarHBondContact O-CB 3.42Å; L1088-F1093 PolarHBondContact O-N 2.81Å; L1088-F1093 VanDerWaalsContact O-N 3.07Å; T1091-F1093 PolarHBondContact O-N 3.07Å; T1091-F1093 WeakPolarHBondContact OG1-CB 2.84Å; T1091-F1093 PolarHBondContact OG1-N 3.47Å; F1093-L1122 HydrophobicContact CB-CD1 3.95Å; F1093-L1122 HydrophobicContact CD2-CD1 3.92Å; F1093-L1122 HydrophobicContact CG-CD1 4.36Å; F1093-L1126 HydrophobicContact CD2-CD2 3.98Å; F1093-L1126 HydrophobicContact CE2-CD2 3.87Å; F1093-L1126 HydrophobicContact CZ-CD2 4.35Å; F1093-L1154 HydrophobicContact CB-CD1 4.15Å; F1093-L1154 HydrophobicContact CD2-CD1 3.86Å; F1093-L1154 HydrophobicContact CG-CD1 4.43Å |
| 1094 | W | 96.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -130 | 79.9 | 175.6 | -162.7 | -91.1 | 0 | 0 | 0 | 111.6 | D990 Q1039 I1040 I1066 Y1068 L1088 G1092 | D990-W1094 HydrophobicContact CB-CH2 3.82Å; D990-W1094 WeakPolarHBondContact OD2-CH2 3.09Å; Q1039-W1094 HydrophobicContact CG-CD2 4.35Å; Q1039-W1094 VanDerWaalsContact CG-CE2 3.44Å; Q1039-W1094 HydrophobicContact CG-CZ2 3.59Å; Q1039-W1094 VanDerWaalsContact CG-NE1 3.33Å; I1040-W1094 PolarHBondContact O-NE1 3Å; I1066-W1094 HydrophobicContact CG2-CH2 3.82Å; I1066-W1094 HydrophobicContact CG2-CZ2 3.86Å; Y1068-W1094 AromaticContact CD2-CD2 3.85Å; Y1068-W1094 HydrophobicContact CD2-CD2 3.85Å; Y1068-W1094 AromaticContact CD2-CE3 3.59Å; Y1068-W1094 HydrophobicContact CD2-CE3 3.59Å; Y1068-W1094 HydrophobicContact CD2-CG 4.41Å; Y1068-W1094 HydrophobicContact CD2-CH2 4.39Å; Y1068-W1094 AromaticContact CD2-CZ3 3.88Å; Y1068-W1094 HydrophobicContact CD2-CZ3 3.88Å; Y1068-W1094 HydrophobicContact CE2-CE3 4.39Å; Y1068-W1094 HydrophobicContact CG-CD2 4.18Å; Y1068-W1094 HydrophobicContact CG-CE3 4.36Å; Y1068-W1094 HydrophobicContact CG-CG 4.48Å; L1088-W1094 PolarHBondContact O-N 3.32Å; G1092-W1094 PolarHBondContact O-N 3.08Å |
| 1095 | P | 95.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | trans | -65.9 | 143.5 | 179.7 | 28.3 | -34.1 | 0 | 0 | 0 | 110.5 | Q1039 G1092 S1115 Y1158 L1161 | Q1039-P1095 PolarHBondContact NE2-O 3.14Å; G1092-P1095 WeakPolarHBondContact O-CD 3.41Å; P1095-S1115 WeakPolarHBondContact CA-OG 3.43Å; P1095-Y1158 HydrophobicContact CB-CD2 4.45Å; P1095-L1161 HydrophobicContact CB-CD1 4.17Å; P1095-L1161 HydrophobicContact CG-CD1 3.8Å | ||
| 1096 | L | 98 | Very high | 95.8 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | trans | -100.2 | 128.7 | 177.7 | -54.4 | -178 | 0 | 0 | 0 | 109 | A1044 Q1045 T1089 D1114 S1115 | A1044-L1096 HydrophobicContact CB-CD1 4.27Å; Q1045-L1096 HydrophobicContact CB-CD1 3.58Å; Q1045-L1096 HydrophobicContact CG-CD1 4.31Å; T1089-L1096 HydrophobicContact CG2-CD1 3.97Å; T1089-L1096 HydrophobicContact CG2-CG 3.8Å; L1096-D1114 HydrophobicContact CB-CB 4.11Å; L1096-D1114 WeakPolarHBondContact O-CA 3.46Å; L1096-D1114 PolarHBondContact O-N 3.07Å; L1096-S1115 PolarHBondContact N-OG 3.01Å; L1096-S1115 PolarHBondContact O-N 3.46Å; L1096-S1115 VanDerWaalsContact O-N 3.08Å | ||
| 1097 | Y | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 161.7 | 179.4 | 61 | -93.5 | 0 | 0 | 0 | 111.5 | G1026 M1030 V1037 A1038 Q1039 L1111 A1112 L1161 | G1026-Y1097 WeakPolarHBondContact CA-OH 3.3Å; M1030-Y1097 HydrophobicContact CE-CD2 4.3Å; M1030-Y1097 HydrophobicContact CE-CE2 3.66Å; M1030-Y1097 HydrophobicContact SD-CD2 4.09Å; M1030-Y1097 HydrophobicContact SD-CE2 3.78Å; V1037-Y1097 HydrophobicContact CG1-CE2 4.2Å; A1038-Y1097 WeakPolarHBondContact CA-O 3.4Å; Q1039-Y1097 HydrophobicContact CB-CD1 3.84Å; Q1039-Y1097 HydrophobicContact CB-CE1 3.38Å; Q1039-Y1097 HydrophobicContact CB-CE2 4.15Å; Q1039-Y1097 HydrophobicContact CB-CG 4.38Å; Q1039-Y1097 HydrophobicContact CG-CE1 4.13Å; Q1039-Y1097 PolarHBondContact N-O 2.87Å; Q1039-Y1097 PolarHBondContact O-N 3.41Å; Q1039-Y1097 PolarHBondContact OE1-OH 3.06Å; Y1097-L1111 HydrophobicContact CD2-CD1 3.82Å; Y1097-L1111 HydrophobicContact CG-CD1 4.23Å; Y1097-A1112 CarbonylContact C-O 3.56Å; Y1097-A1112 WeakPolarHBondContact CA-O 3.25Å; Y1097-A1112 WeakPolarHBondContact CB-O 3.07Å; Y1097-L1161 HydrophobicContact CD1-CD1 3.99Å; Y1097-L1161 HydrophobicContact CD1-CD2 4.47Å; Y1097-L1161 HydrophobicContact CE1-CD1 4.15Å |
| 1098 | R | 98.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 3% | 0.034 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.9 | 171.2 | -66.5 | 169.7 | -66.4 | 106.3 | 8.5 | 108.8 | V1037 A1038 A1052 E1055 L1111 A1112 D1114 | V1037-R1098 CarbonylContact O-C 3.4Å; V1037-R1098 WeakPolarHBondContact O-CA 3.32Å; A1038-R1098 HydrophobicContact CB-CG 3.88Å; A1052-R1098 HydrophobicContact CB-CG 4.12Å; E1055-R1098 IonicContact OE1-NH1 3.44Å; E1055-R1098 PolarHBondContact OE1-NH1 3.15Å; E1055-R1098 WeakPolarHBondContact OE2-CD 3.38Å; E1055-R1098 IonicContact OE2-CZ 2.76Å; E1055-R1098 IonicContact OE2-NE 2.82Å; E1055-R1098 IonicContact OE2-NH1 3.05Å; E1055-R1098 PolarHBondContact OE2-NH1 3.29Å; R1098-L1111 CarbonylContact O-C 3.53Å; R1098-A1112 PolarHBondContact N-O 2.97Å; R1098-A1112 PolarHBondContact O-N 3.07Å; R1098-D1114 IonicContact CZ-OD1 2.68Å; R1098-D1114 IonicContact CZ-OD2 2.69Å; R1098-D1114 IonicContact NE-OD1 2.76Å; R1098-D1114 IonicContact NE-OD2 3.6Å; R1098-D1114 PolarHBondContact NE-OD2 3.45Å; R1098-D1114 IonicContact NH2-OD1 3.75Å; R1098-D1114 PolarHBondContact NH2-OD1 3.32Å; R1098-D1114 IonicContact NH2-OD2 3.83Å; R1098-D1114 PolarHBondContact NH2-OD2 2.64Å |
| 1099 | F | 98.4 | Very high | 95.5 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 110.9 | 169.7 | 178.4 | -85.6 | 0 | 0 | 0 | 107.2 | M1030 V1035 Y1036 V1037 P1101 P1110 L1111 | M1030-F1099 HydrophobicContact CB-CD2 4.28Å; M1030-F1099 HydrophobicContact CB-CG 4.31Å; M1030-F1099 HydrophobicContact CG-CB 3.71Å; M1030-F1099 HydrophobicContact CG-CD1 4.16Å; M1030-F1099 HydrophobicContact CG-CD2 4.07Å; M1030-F1099 HydrophobicContact CG-CG 3.73Å; M1030-F1099 HydrophobicContact SD-CB 3.46Å; M1030-F1099 WeakPolarHBondContact SD-CB 3.21Å; M1030-F1099 HydrophobicContact SD-CD2 3.99Å; M1030-F1099 HydrophobicContact SD-CG 3.9Å; V1035-F1099 WeakPolarHBondContact O-CD1 3.45Å; V1035-F1099 WeakPolarHBondContact O-CE1 3.48Å; Y1036-F1099 WeakPolarHBondContact CA-O 3.47Å; Y1036-F1099 WeakPolarHBondContact CD2-O 3.38Å; V1037-F1099 HydrophobicContact CB-CB 4.29Å; V1037-F1099 PolarHBondContact N-O 3Å; V1037-F1099 PolarHBondContact O-N 2.91Å; F1099-P1101 HydrophobicContact CD1-CG 4.31Å; F1099-P1101 HydrophobicContact CE1-CG 3.91Å; F1099-P1110 WeakPolarHBondContact CA-O 3.46Å; F1099-P1110 HydrophobicContact CD2-CB 3.69Å; F1099-P1110 HydrophobicContact CE1-CB 4.34Å; F1099-P1110 HydrophobicContact CE2-CB 3.39Å; F1099-P1110 HydrophobicContact CE2-CG 4.19Å; F1099-P1110 HydrophobicContact CG-CB 4.27Å; F1099-P1110 HydrophobicContact CZ-CB 3.75Å; F1099-P1110 HydrophobicContact CZ-CG 4.37Å; F1099-L1111 HydrophobicContact CB-CD1 3.98Å; F1099-L1111 HydrophobicContact CD2-CB 4.26Å; F1099-L1111 HydrophobicContact CD2-CD1 4.45Å |
| 1100 | D | 98.1 | Very high | 95.4 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | trans | -117 | 109.9 | 178.3 | -174.3 | -17.2 | 0 | 0 | 0 | 109 | Y1036 R1102 R1103 P1110 | Y1036-D1100 HydrophobicContact CD2-CB 3.85Å; Y1036-D1100 HydrophobicContact CE2-CB 3.87Å; D1100-R1102 PolarHBondContact O-N 2.74Å; D1100-R1102 VanDerWaalsContact O-N 3.14Å; D1100-R1102 VanDerWaalsContact OD1-CB 3.29Å; D1100-R1102 WeakPolarHBondContact OD1-CB 3.43Å; D1100-R1102 WeakPolarHBondContact OD1-CG 3.43Å; D1100-R1102 IonicContact OD1-CZ 2.94Å; D1100-R1102 PolarHBondContact OD1-N 2.8Å; D1100-R1102 IonicContact OD1-NE 3.67Å; D1100-R1102 PolarHBondContact OD1-NE 3.31Å; D1100-R1102 IonicContact OD1-NH2 3.79Å; D1100-R1102 IonicContact OD2-CZ 3.28Å; D1100-R1102 IonicContact OD2-NE 3.11Å; D1100-R1102 PolarHBondContact OD2-NE 2.93Å; D1100-R1102 IonicContact OD2-NH2 2.69Å; D1100-R1102 PolarHBondContact OD2-NH2 3.24Å; D1100-R1103 HydrophobicContact CB-CG 3.99Å; D1100-R1103 WeakPolarHBondContact O-CB 3.44Å; D1100-R1103 PolarHBondContact O-N 3.05Å; D1100-R1103 VanDerWaalsContact O-N 3.08Å; D1100-P1110 PolarHBondContact N-O 2.72Å; D1100-P1110 WeakPolarHBondContact O-CA 3.44Å | ||
| 1101 | P | 97.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -52.5 | -34.4 | 179.2 | -28.7 | 36.2 | 0 | 0 | 0 | 113.3 | G1033 Y1059 F1099 R1103 A1104 | G1033-P1101 WeakPolarHBondContact O-CG 3.07Å; Y1059-P1101 HydrophobicContact CE1-CG 4.49Å; Y1059-P1101 HydrophobicContact CE2-CB 4.06Å; Y1059-P1101 HydrophobicContact CE2-CG 4Å; Y1059-P1101 WeakPolarHBondContact OH-CG 3.4Å; F1099-P1101 HydrophobicContact CD1-CG 4.31Å; F1099-P1101 HydrophobicContact CE1-CG 3.91Å; P1101-R1103 PolarHBondContact O-N 2.75Å; P1101-A1104 WeakPolarHBondContact O-CB 3.45Å; P1101-A1104 PolarHBondContact O-N 3.02Å; P1101-A1104 VanDerWaalsContact O-N 3.13Å |
| 1102 | R | 96.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 39.6 Ų | 39.6 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -65 | -22.4 | -177.7 | -57.9 | 171.9 | -67.3 | -163.9 | -4.4 | 113.3 | E1055 A1058 Y1059 D1100 A1104 D1105 | E1055-R1102 PolarHBondContact O-NH2 3.4Å; A1058-R1102 VanDerWaalsContact C-NH1 3.31Å; A1058-R1102 PolarHBondContact O-NH1 3.46Å; Y1059-R1102 HydrophobicContact CD2-CG 3.9Å; Y1059-R1102 HydrophobicContact CE2-CG 3.92Å; D1100-R1102 PolarHBondContact O-N 2.74Å; D1100-R1102 VanDerWaalsContact O-N 3.14Å; D1100-R1102 VanDerWaalsContact OD1-CB 3.29Å; D1100-R1102 WeakPolarHBondContact OD1-CB 3.43Å; D1100-R1102 WeakPolarHBondContact OD1-CG 3.43Å; D1100-R1102 IonicContact OD1-CZ 2.94Å; D1100-R1102 PolarHBondContact OD1-N 2.8Å; D1100-R1102 IonicContact OD1-NE 3.67Å; D1100-R1102 PolarHBondContact OD1-NE 3.31Å; D1100-R1102 IonicContact OD1-NH2 3.79Å; D1100-R1102 IonicContact OD2-CZ 3.28Å; D1100-R1102 IonicContact OD2-NE 3.11Å; D1100-R1102 PolarHBondContact OD2-NE 2.93Å; D1100-R1102 IonicContact OD2-NH2 2.69Å; D1100-R1102 PolarHBondContact OD2-NH2 3.24Å; R1102-A1104 PolarHBondContact O-N 3.42Å; R1102-D1105 VanDerWaalsContact O-CB 3.29Å; R1102-D1105 WeakPolarHBondContact O-CB 3.17Å; R1102-D1105 PolarHBondContact O-N 2.76Å |
| 1103 | R | 96.4 | Very high | 95.8 | Very high | 63 Ų | 63 | 39.7 Ų | 39.7 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -63.9 | -26.4 | 177.4 | -71.5 | 170 | 59.4 | 112.5 | -1.2 | 111.9 | D1100 P1101 D1105 E1106 G1107 K1108 L1109 P1110 | D1100-R1103 HydrophobicContact CB-CG 3.99Å; D1100-R1103 WeakPolarHBondContact O-CB 3.44Å; D1100-R1103 PolarHBondContact O-N 3.05Å; D1100-R1103 VanDerWaalsContact O-N 3.08Å; P1101-R1103 PolarHBondContact O-N 2.75Å; R1103-D1105 VanDerWaalsContact C-N 3.26Å; R1103-D1105 PolarHBondContact O-N 3.28Å; R1103-E1106 PolarHBondContact O-N 3.01Å; R1103-G1107 PolarHBondContact O-N 2.71Å; R1103-K1108 CarbonylContact C-O 3.6Å; R1103-K1108 HydrophobicContact CB-CB 4.18Å; R1103-K1108 WeakPolarHBondContact O-CA 3.34Å; R1103-K1108 WeakPolarHBondContact O-CB 3.38Å; R1103-K1108 PolarHBondContact O-N 3.44Å; R1103-K1108 VanDerWaalsContact O-O 3.09Å; R1103-L1109 PolarHBondContact NE-O 2.83Å; R1103-L1109 PolarHBondContact NH2-O 3.15Å; R1103-P1110 WeakPolarHBondContact CD-O 3.49Å |
| 1104 | A | 92.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 42 Ų | 42 | 45% | 0.446 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -62.5 | -36 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1101 R1102 E1106 G1107 K1108 P1110 | P1101-A1104 WeakPolarHBondContact O-CB 3.45Å; P1101-A1104 PolarHBondContact O-N 3.02Å; P1101-A1104 VanDerWaalsContact O-N 3.13Å; R1102-A1104 PolarHBondContact O-N 3.42Å; A1104-E1106 PolarHBondContact O-N 2.71Å; A1104-G1107 PolarHBondContact O-N 2.74Å; A1104-K1108 WeakPolarHBondContact CA-O 3.27Å; A1104-P1110 HydrophobicContact CB-CG 4.25Å |
| 1105 | D | 91.5 | Very high | 95.8 | Very high | 142 Ų | 142 | 42.5 Ų | 42.5 | 76% | 0.759 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -26.5 | 177.1 | -53.6 | -32.4 | 0 | 0 | 0 | 111.8 | R1102 R1103 G1107 | R1102-D1105 VanDerWaalsContact O-CB 3.29Å; R1102-D1105 WeakPolarHBondContact O-CB 3.17Å; R1102-D1105 PolarHBondContact O-N 2.76Å; R1103-D1105 VanDerWaalsContact C-N 3.26Å; R1103-D1105 PolarHBondContact O-N 3.28Å; D1105-G1107 VanDerWaalsContact C-N 3.33Å |
| 1106 | E | 92.5 | Very high | 95.6 | Very high | 126 Ų | 126 | 52.7 Ų | 52.7 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 5.2 | 173.8 | -56.1 | -178.2 | 175.7 | 0 | 0 | 113.6 | R1103 A1104 K1108 | R1103-E1106 PolarHBondContact O-N 3.01Å; A1104-E1106 PolarHBondContact O-N 2.71Å; E1106-K1108 VanDerWaalsContact C-N 3.26Å; E1106-K1108 HydrophobicContact CB-CD 4.34Å; E1106-K1108 HydrophobicContact CB-CG 4.43Å; E1106-K1108 PolarHBondContact O-N 3.39Å; E1106-K1108 WeakPolarHBondContact OE2-CE 3.47Å; E1106-K1108 IonicContact OE2-NZ 2.64Å; E1106-K1108 PolarHBondContact OE2-NZ 3.06Å |
| 1107 | G | 92.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 75% | 0.753 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 18 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1103 A1104 D1105 | R1103-G1107 PolarHBondContact O-N 2.71Å; A1104-G1107 PolarHBondContact O-N 2.74Å; D1105-G1107 VanDerWaalsContact C-N 3.33Å |
| 1108 | K | 94.6 | Very high | 94.8 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 47% | 0.47 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -101 | 158 | 176.4 | -64.1 | 171.2 | -172.5 | 158.1 | 0 | 110.1 | R1103 A1104 E1106 | R1103-K1108 CarbonylContact C-O 3.6Å; R1103-K1108 HydrophobicContact CB-CB 4.18Å; R1103-K1108 WeakPolarHBondContact O-CA 3.34Å; R1103-K1108 WeakPolarHBondContact O-CB 3.38Å; R1103-K1108 PolarHBondContact O-N 3.44Å; R1103-K1108 VanDerWaalsContact O-O 3.09Å; A1104-K1108 WeakPolarHBondContact CA-O 3.27Å; E1106-K1108 VanDerWaalsContact C-N 3.26Å; E1106-K1108 HydrophobicContact CB-CD 4.34Å; E1106-K1108 HydrophobicContact CB-CG 4.43Å; E1106-K1108 PolarHBondContact O-N 3.39Å; E1106-K1108 WeakPolarHBondContact OE2-CE 3.47Å; E1106-K1108 IonicContact OE2-NZ 2.64Å; E1106-K1108 PolarHBondContact OE2-NZ 3.06Å |
| 1109 | L | 95.4 | Very high | 94.2 | Very high | 89 Ų | 89 | 62.7 Ų | 62.7 | 47% | 0.466 | 34% | 0.344 | S | S | . | . | trans | -65.2 | 134.6 | 169.3 | -67.4 | 172.6 | 0 | 0 | 0 | 110 | R1103 L1111 | R1103-L1109 PolarHBondContact NE-O 2.83Å; R1103-L1109 PolarHBondContact NH2-O 3.15Å; L1109-L1111 VanDerWaalsContact C-N 3.28Å; L1109-L1111 PolarHBondContact O-N 3.24Å | ||
| 1110 | P | 96.1 | Very high | 93.4 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 21% | 0.208 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -55.9 | -40.2 | 177.3 | -30.2 | 37.2 | 0 | 0 | 0 | 113.6 | F1099 D1100 R1103 A1104 | F1099-P1110 WeakPolarHBondContact CA-O 3.46Å; F1099-P1110 HydrophobicContact CD2-CB 3.69Å; F1099-P1110 HydrophobicContact CE1-CB 4.34Å; F1099-P1110 HydrophobicContact CE2-CB 3.39Å; F1099-P1110 HydrophobicContact CE2-CG 4.19Å; F1099-P1110 HydrophobicContact CG-CB 4.27Å; F1099-P1110 HydrophobicContact CZ-CB 3.75Å; F1099-P1110 HydrophobicContact CZ-CG 4.37Å; D1100-P1110 PolarHBondContact N-O 2.72Å; D1100-P1110 WeakPolarHBondContact O-CA 3.44Å; R1103-P1110 WeakPolarHBondContact CD-O 3.49Å; A1104-P1110 HydrophobicContact CB-CG 4.25Å |
| 1111 | L | 97.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.016 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.8 | -179.5 | -168.9 | 71.5 | 0 | 0 | 0 | 111.8 | M1030 Y1097 R1098 F1099 L1109 L1161 M1164 A1165 | M1030-L1111 HydrophobicContact SD-CD1 3.66Å; Y1097-L1111 HydrophobicContact CD2-CD1 3.82Å; Y1097-L1111 HydrophobicContact CG-CD1 4.23Å; R1098-L1111 CarbonylContact O-C 3.53Å; F1099-L1111 HydrophobicContact CB-CD1 3.98Å; F1099-L1111 HydrophobicContact CD2-CB 4.26Å; F1099-L1111 HydrophobicContact CD2-CD1 4.45Å; L1109-L1111 VanDerWaalsContact C-N 3.28Å; L1109-L1111 PolarHBondContact O-N 3.24Å; L1111-L1161 HydrophobicContact CD2-CB 4.37Å; L1111-L1161 HydrophobicContact CD2-CD2 4.04Å; L1111-L1161 VanDerWaalsContact CD2-O 3.24Å; L1111-L1161 WeakPolarHBondContact CD2-O 3.3Å; L1111-M1164 HydrophobicContact CB-CB 4.43Å; L1111-M1164 HydrophobicContact CD2-CB 3.41Å; L1111-M1164 VanDerWaalsContact CD2-CB 3.41Å; L1111-A1165 HydrophobicContact CB-CB 4.5Å; L1111-A1165 HydrophobicContact CD2-CB 4.09Å; L1111-A1165 HydrophobicContact CG-CB 4.27Å |
| 1112 | A | 96.1 | Very high | 92.5 | Very high | 12 Ų | 12 | 68.8 Ų | 68.8 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y1097 R1098 D1114 | Y1097-A1112 CarbonylContact C-O 3.56Å; Y1097-A1112 WeakPolarHBondContact CA-O 3.25Å; Y1097-A1112 WeakPolarHBondContact CB-O 3.07Å; R1098-A1112 PolarHBondContact N-O 2.97Å; R1098-A1112 PolarHBondContact O-N 3.07Å; A1112-D1114 PolarHBondContact O-N 3.04Å |
| 1113 | L | 96.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 112.1 | 171.1 | -171.2 | 61.1 | 0 | 0 | 0 | 109.4 | Y1158 L1161 A1162 A1165 K1167 | L1113-Y1158 HydrophobicContact CD1-CE2 4.4Å; L1113-Y1158 HydrophobicContact CD2-CE1 4.25Å; L1113-Y1158 HydrophobicContact CD2-CE2 3.77Å; L1113-Y1158 WeakPolarHBondContact CD2-OH 3.5Å; L1113-Y1158 HydrophobicContact CG-CE2 4.39Å; L1113-L1161 HydrophobicContact CD1-CB 4.25Å; L1113-A1162 HydrophobicContact CD2-CB 4.14Å; L1113-A1165 HydrophobicContact CB-CB 3.89Å; L1113-K1167 HydrophobicContact CB-CD 4.38Å; L1113-K1167 PolarHBondContact O-NZ 3.13Å |
| 1114 | D | 96 | Very high | 92 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | trans | -94.3 | -22 | -174 | -66 | -42.2 | 0 | 0 | 0 | 112.9 | Q1048 L1096 R1098 A1112 | Q1048-D1114 HydrophobicContact CG-CB 3.9Å; Q1048-D1114 VanDerWaalsContact CG-OD2 3.32Å; Q1048-D1114 WeakPolarHBondContact CG-OD2 3.41Å; Q1048-D1114 PolarHBondContact NE2-OD2 3.05Å; L1096-D1114 HydrophobicContact CB-CB 4.11Å; L1096-D1114 WeakPolarHBondContact O-CA 3.46Å; L1096-D1114 PolarHBondContact O-N 3.07Å; R1098-D1114 IonicContact CZ-OD1 2.68Å; R1098-D1114 IonicContact CZ-OD2 2.69Å; R1098-D1114 IonicContact NE-OD1 2.76Å; R1098-D1114 IonicContact NE-OD2 3.6Å; R1098-D1114 PolarHBondContact NE-OD2 3.45Å; R1098-D1114 IonicContact NH2-OD1 3.75Å; R1098-D1114 PolarHBondContact NH2-OD1 3.32Å; R1098-D1114 IonicContact NH2-OD2 3.83Å; R1098-D1114 PolarHBondContact NH2-OD2 2.64Å; A1112-D1114 PolarHBondContact O-N 3.04Å | ||
| 1115 | S | 94 | Very high | 92 | Very high | 12 Ų | 12 | 71.4 Ų | 71.4 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -82.2 | 156.9 | 171.1 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | P1095 L1096 | P1095-S1115 WeakPolarHBondContact CA-OG 3.43Å; L1096-S1115 PolarHBondContact N-OG 3.01Å; L1096-S1115 PolarHBondContact O-N 3.46Å; L1096-S1115 VanDerWaalsContact O-N 3.08Å |
| 1116 | R | 91.3 | Very high | 92.2 | Very high | 215 Ų | 215 | 64.6 Ų | 64.6 | 81% | 0.811 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -80 | 165.2 | 172.4 | -66.7 | -177.1 | -177.5 | 177.8 | 1.1 | 110.7 | Y1158 | R1116-Y1158 VanDerWaalsContact C-OH 3.27Å; R1116-Y1158 WeakPolarHBondContact O-CE2 3.41Å |
| 1117 | P | 89.4 | Confident | 92.2 | Very high | 84 Ų | 84 | 60.6 Ų | 60.6 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 147.9 | 168.7 | -25 | 34.5 | 0 | 0 | 0 | 111.8 | S1119 Y1158 | P1117-S1119 PolarHBondContact O-N 3.01Å; P1117-Y1158 VanDerWaalsContact CA-CZ 3.4Å; P1117-Y1158 VanDerWaalsContact CA-OH 3.3Å; P1117-Y1158 WeakPolarHBondContact CA-OH 3.37Å; P1117-Y1158 HydrophobicContact CB-CE1 4.11Å; P1117-Y1158 WeakPolarHBondContact CD-OH 3.33Å; P1117-Y1158 HydrophobicContact CG-CE1 4.29Å; P1117-Y1158 WeakPolarHBondContact CG-OH 3.44Å |
| 1118 | P | 90.7 | Very high | 92.3 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 26% | 0.26 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 126.8 | 175.7 | -26.6 | 34.9 | 0 | 0 | 0 | 111.5 | A1090 Y1158 | A1090-P1118 CarbonylContact O-C 2.99Å; A1090-P1118 WeakPolarHBondContact O-CA 3.43Å; P1118-Y1158 HydrophobicContact CG-CD2 4.37Å; P1118-Y1158 HydrophobicContact CG-CG 4.21Å |
| 1119 | S | 86.1 | Confident | 92.3 | Very high | 97 Ų | 97 | 55.7 Ų | 55.7 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | trans | -130.6 | -6.3 | -176 | 63.5 | 0 | 0 | 0 | 0 | 114.7 | A1090 P1117 | A1090-S1119 PolarHBondContact O-N 3.03Å; P1117-S1119 PolarHBondContact O-N 3.01Å | ||
| 1120 | E | 80.9 | Confident | 92.2 | Very high | 95 Ų | 95 | 55.4 Ų | 55.4 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -120.8 | 158.4 | -177.5 | -71.5 | 179.7 | -165.4 | 0 | 0 | 111.4 | A1090 T1091 L1122 | A1090-E1120 HydrophobicContact CB-CB 4.4Å; A1090-E1120 HydrophobicContact CB-CG 4.01Å; T1091-E1120 HydrophobicContact CG2-CB 3.74Å; E1120-L1122 PolarHBondContact O-N 3.05Å |
| 1121 | A | 85.3 | Confident | 92.1 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | trans | -74.5 | 122.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1123 T1125 | A1121-E1123 PolarHBondContact O-N 3.3Å; A1121-T1125 PolarHBondContact O-OG1 3.38Å | ||
| 1122 | L | 90.3 | Very high | 92 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | -179.2 | 179.7 | 65.4 | 0 | 0 | 0 | 112.2 | F1093 E1120 E1124 T1125 L1126 A1150 A1151 L1154 | F1093-L1122 HydrophobicContact CB-CD1 3.95Å; F1093-L1122 HydrophobicContact CD2-CD1 3.92Å; F1093-L1122 HydrophobicContact CG-CD1 4.36Å; E1120-L1122 PolarHBondContact O-N 3.05Å; L1122-E1124 PolarHBondContact O-N 3.39Å; L1122-T1125 PolarHBondContact O-N 2.87Å; L1122-L1126 HydrophobicContact CD1-CD1 3.92Å; L1122-L1126 HydrophobicContact CD1-CD2 4.16Å; L1122-L1126 HydrophobicContact CD1-CG 3.87Å; L1122-L1126 HydrophobicContact CD2-CD1 4.22Å; L1122-L1126 HydrophobicContact CG-CD1 3.78Å; L1122-L1126 HydrophobicContact CG-CG 4.06Å; L1122-L1126 WeakPolarHBondContact O-CG 3.23Å; L1122-L1126 PolarHBondContact O-N 3.19Å; L1122-A1150 HydrophobicContact CD2-CB 4.01Å; L1122-A1151 HydrophobicContact CD2-CB 3.9Å; L1122-L1154 HydrophobicContact CD1-CD1 3.99Å; L1122-L1154 HydrophobicContact CD2-CD1 3.72Å |
| 1123 | E | 91.5 | Very high | 91.9 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.1 | -52.7 | -174.9 | 176.1 | 179.2 | 178.3 | 0 | 0 | 112.5 | A1121 T1125 L1126 L1127 W1147 | A1121-E1123 PolarHBondContact O-N 3.3Å; E1123-T1125 VanDerWaalsContact C-N 3.28Å; E1123-T1125 PolarHBondContact O-N 3.2Å; E1123-L1126 PolarHBondContact O-N 2.9Å; E1123-L1127 HydrophobicContact CG-CD1 3.83Å; E1123-L1127 HydrophobicContact CG-CG 4.44Å; E1123-L1127 WeakPolarHBondContact O-CB 3.36Å; E1123-L1127 VanDerWaalsContact O-CG 3.32Å; E1123-L1127 WeakPolarHBondContact O-CG 3.46Å; E1123-L1127 PolarHBondContact O-N 2.9Å; E1123-W1147 HydrophobicContact CB-CE3 4.35Å; E1123-W1147 HydrophobicContact CG-CD2 4.25Å; E1123-W1147 HydrophobicContact CG-CE3 3.57Å; E1123-W1147 HydrophobicContact CG-CH2 4.41Å; E1123-W1147 HydrophobicContact CG-CZ3 3.69Å; E1123-W1147 WeakPolarHBondContact OE1-CZ3 3.46Å |
| 1124 | E | 92.2 | Very high | 91.5 | Very high | 136 Ų | 136 | 62.5 Ų | 62.5 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.8 | -43.3 | -178.5 | -172.7 | 175 | -173.7 | 0 | 0 | 111.3 | L1122 L1127 | L1122-E1124 PolarHBondContact O-N 3.39Å; E1124-L1127 PolarHBondContact O-N 2.99Å |
| 1125 | T | 93.3 | Very high | 91.3 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 178.9 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | Q1084 Q1087 L1088 T1091 A1121 L1122 E1123 L1127 H1128 | Q1084-T1125 PolarHBondContact NE2-O 3.15Å; Q1087-T1125 HydrophobicContact CB-CG2 3.57Å; L1088-T1125 HydrophobicContact CD2-CG2 3.76Å; L1088-T1125 HydrophobicContact CG-CG2 4.02Å; T1091-T1125 HydrophobicContact CG2-CG2 4.44Å; T1091-T1125 WeakPolarHBondContact CG2-OG1 3.37Å; A1121-T1125 PolarHBondContact O-OG1 3.38Å; L1122-T1125 PolarHBondContact O-N 2.87Å; E1123-T1125 VanDerWaalsContact C-N 3.28Å; E1123-T1125 PolarHBondContact O-N 3.2Å; T1125-L1127 VanDerWaalsContact C-N 3.31Å; T1125-L1127 PolarHBondContact O-N 3.34Å; T1125-H1128 WeakPolarHBondContact O-CB 3.43Å; T1125-H1128 PolarHBondContact O-N 3.48Å |
| 1126 | L | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.8 | -33.3 | 179 | -66.1 | -174.8 | 0 | 0 | 0 | 111.7 | L1088 F1093 L1122 E1123 H1128 E1129 F1132 | L1088-L1126 HydrophobicContact CD2-CD2 3.91Å; F1093-L1126 HydrophobicContact CD2-CD2 3.98Å; F1093-L1126 HydrophobicContact CE2-CD2 3.87Å; F1093-L1126 HydrophobicContact CZ-CD2 4.35Å; L1122-L1126 HydrophobicContact CD1-CD1 3.92Å; L1122-L1126 HydrophobicContact CD1-CD2 4.16Å; L1122-L1126 HydrophobicContact CD1-CG 3.87Å; L1122-L1126 HydrophobicContact CD2-CD1 4.22Å; L1122-L1126 HydrophobicContact CG-CD1 3.78Å; L1122-L1126 HydrophobicContact CG-CG 4.06Å; L1122-L1126 WeakPolarHBondContact O-CG 3.23Å; L1122-L1126 PolarHBondContact O-N 3.19Å; E1123-L1126 PolarHBondContact O-N 2.9Å; L1126-H1128 PolarHBondContact O-N 3.3Å; L1126-E1129 PolarHBondContact O-N 3.16Å; L1126-F1132 HydrophobicContact CB-CB 4.25Å; L1126-F1132 HydrophobicContact CB-CD1 4.46Å; L1126-F1132 HydrophobicContact CB-CD2 3.82Å; L1126-F1132 HydrophobicContact CB-CE2 4.25Å; L1126-F1132 HydrophobicContact CB-CG 3.94Å; L1126-F1132 HydrophobicContact CD1-CD1 4.31Å; L1126-F1132 HydrophobicContact CD1-CE1 4.14Å; L1126-F1132 HydrophobicContact CD1-CZ 4.29Å; L1126-F1132 HydrophobicContact CD2-CD2 4.14Å; L1126-F1132 HydrophobicContact CD2-CE2 3.67Å; L1126-F1132 HydrophobicContact CD2-CZ 3.88Å; L1126-F1132 HydrophobicContact CG-CD2 4.42Å; L1126-F1132 HydrophobicContact CG-CE2 4.37Å; L1126-F1132 WeakPolarHBondContact O-CD2 3.48Å |
| 1127 | L | 94.1 | Very high | 91 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -8.5 | 178.3 | -73.7 | 174.1 | 0 | 0 | 0 | 113.9 | E1123 E1124 T1125 E1129 R1133 N1136 W1147 | E1123-L1127 HydrophobicContact CG-CD1 3.83Å; E1123-L1127 HydrophobicContact CG-CG 4.44Å; E1123-L1127 WeakPolarHBondContact O-CB 3.36Å; E1123-L1127 VanDerWaalsContact O-CG 3.32Å; E1123-L1127 WeakPolarHBondContact O-CG 3.46Å; E1123-L1127 PolarHBondContact O-N 2.9Å; E1124-L1127 PolarHBondContact O-N 2.99Å; T1125-L1127 VanDerWaalsContact C-N 3.31Å; T1125-L1127 PolarHBondContact O-N 3.34Å; L1127-E1129 PolarHBondContact O-N 3.41Å; L1127-R1133 HydrophobicContact CB-CG 4.43Å; L1127-R1133 HydrophobicContact CD2-CG 3.94Å; L1127-R1133 WeakPolarHBondContact O-CD 3.36Å; L1127-R1133 WeakPolarHBondContact O-CG 3.47Å; L1127-R1133 PolarHBondContact O-NE 2.85Å; L1127-N1136 HydrophobicContact CD2-CB 4.14Å; L1127-W1147 HydrophobicContact CD1-CH2 4.2Å; L1127-W1147 HydrophobicContact CD2-CH2 3.73Å; L1127-W1147 HydrophobicContact CD2-CZ2 3.74Å; L1127-W1147 HydrophobicContact CG-CH2 4.21Å; L1127-W1147 HydrophobicContact CG-CZ2 4.33Å |
| 1128 | H | 94.3 | Very high | 90.8 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 37% | 0.366 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -27.2 | 165.9 | -64.2 | 159.2 | 0 | 0 | 0 | 112.3 | Q1084 Q1087 T1125 L1126 | Q1084-H1128 PolarHBondContact OE1-ND1 3.14Å; Q1084-H1128 VanDerWaalsContact OE1-ND1 3.1Å; Q1087-H1128 PolarHBondContact OE1-CE1 2.72Å; Q1087-H1128 PolarHBondContact OE1-ND1 3.4Å; Q1087-H1128 VanDerWaalsContact OE1-ND1 3.1Å; T1125-H1128 WeakPolarHBondContact O-CB 3.43Å; T1125-H1128 PolarHBondContact O-N 3.48Å; L1126-H1128 PolarHBondContact O-N 3.3Å |
| 1129 | E | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -96.2 | 131.7 | -175.6 | -53.8 | 176.9 | -167.2 | 0 | 0 | 111 | H1074 Y1076 Q1084 L1126 L1127 R1131 F1132 R1133 | H1074-E1129 CarbonylContact O-C 3.56Å; H1074-E1129 WeakPolarHBondContact O-CB 3.37Å; Y1076-E1129 HydrophobicContact CD1-CB 4.41Å; Y1076-E1129 HydrophobicContact CD1-CG 3.82Å; Y1076-E1129 HydrophobicContact CE1-CG 4.1Å; Q1084-E1129 PolarHBondContact NE2-OE1 2.84Å; L1126-E1129 PolarHBondContact O-N 3.16Å; L1127-E1129 PolarHBondContact O-N 3.41Å; E1129-R1131 HydrophobicContact CB-CG 4.12Å; E1129-R1131 PolarHBondContact O-N 3.32Å; E1129-R1131 IonicContact OE1-NH2 3.51Å; E1129-R1131 IonicContact OE2-CZ 3.83Å; E1129-R1131 IonicContact OE2-NE 3.89Å; E1129-R1131 PolarHBondContact OE2-NE 3.37Å; E1129-R1131 IonicContact OE2-NH2 2.77Å; E1129-R1131 PolarHBondContact OE2-NH2 3.18Å; E1129-F1132 HydrophobicContact CB-CD2 4.04Å; E1129-F1132 PolarHBondContact O-N 3.27Å; E1129-F1132 VanDerWaalsContact O-N 3.14Å; E1129-F1132 WeakPolarHBondContact OE2-CE2 3.45Å; E1129-R1133 PolarHBondContact O-N 2.93Å; E1129-R1133 VanDerWaalsContact O-N 3.15Å |
| 1130 | Q | 93.2 | Very high | 91.1 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -31.6 | -179.3 | -173.5 | 62 | 28.7 | 0 | 0 | 112.5 | H1074 G1075 F1132 R1133 R1134 | H1074-Q1130 PolarHBondContact O-N 2.95Å; G1075-Q1130 WeakPolarHBondContact O-CB 3.35Å; G1075-Q1130 PolarHBondContact O-N 3.01Å; G1075-Q1130 VanDerWaalsContact O-N 3.15Å; Q1130-F1132 PolarHBondContact O-N 3.46Å; Q1130-R1133 PolarHBondContact O-N 3.12Å; Q1130-R1134 VanDerWaalsContact O-CB 3.3Å; Q1130-R1134 WeakPolarHBondContact O-CB 3.5Å; Q1130-R1134 PolarHBondContact O-N 3.1Å |
| 1131 | R | 94.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 3% | 0.034 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -21.6 | 179 | 65.7 | 175.4 | 177.1 | 169.3 | 3.3 | 113.9 | Q992 A1009 V1010 H1074 E1129 | Q992-R1131 VanDerWaalsContact OE1-NH1 3.14Å; A1009-R1131 HydrophobicContact CB-CG 4.48Å; V1010-R1131 VanDerWaalsContact CB-O 3.28Å; V1010-R1131 WeakPolarHBondContact CB-O 3.49Å; V1010-R1131 WeakPolarHBondContact CG2-O 3.48Å; V1010-R1131 PolarHBondContact N-O 2.68Å; V1010-R1131 WeakPolarHBondContact O-CB 3.32Å; H1074-R1131 PolarHBondContact CD2-NH1 2.97Å; H1074-R1131 PolarHBondContact O-N 2.94Å; E1129-R1131 HydrophobicContact CB-CG 4.12Å; E1129-R1131 PolarHBondContact O-N 3.32Å; E1129-R1131 IonicContact OE1-NH2 3.51Å; E1129-R1131 IonicContact OE2-CZ 3.83Å; E1129-R1131 IonicContact OE2-NE 3.89Å; E1129-R1131 PolarHBondContact OE2-NE 3.37Å; E1129-R1131 IonicContact OE2-NH2 2.77Å; E1129-R1131 PolarHBondContact OE2-NH2 3.18Å |
| 1132 | F | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -99.5 | -37.5 | 171.6 | -61.7 | -76.3 | 0 | 0 | 0 | 112 | P1006 A1009 L1126 E1129 Q1130 R1134 L1135 N1136 | P1006-F1132 HydrophobicContact CB-CZ 4.38Å; P1006-F1132 HydrophobicContact CG-CE1 4.25Å; P1006-F1132 HydrophobicContact CG-CZ 3.64Å; A1009-F1132 HydrophobicContact CB-CD1 4.37Å; A1009-F1132 HydrophobicContact CB-CE1 3.71Å; A1009-F1132 HydrophobicContact CB-CZ 3.85Å; L1126-F1132 HydrophobicContact CB-CB 4.25Å; L1126-F1132 HydrophobicContact CB-CD1 4.46Å; L1126-F1132 HydrophobicContact CB-CD2 3.82Å; L1126-F1132 HydrophobicContact CB-CE2 4.25Å; L1126-F1132 HydrophobicContact CB-CG 3.94Å; L1126-F1132 HydrophobicContact CD1-CD1 4.31Å; L1126-F1132 HydrophobicContact CD1-CE1 4.14Å; L1126-F1132 HydrophobicContact CD1-CZ 4.29Å; L1126-F1132 HydrophobicContact CD2-CD2 4.14Å; L1126-F1132 HydrophobicContact CD2-CE2 3.67Å; L1126-F1132 HydrophobicContact CD2-CZ 3.88Å; L1126-F1132 HydrophobicContact CG-CD2 4.42Å; L1126-F1132 HydrophobicContact CG-CE2 4.37Å; L1126-F1132 WeakPolarHBondContact O-CD2 3.48Å; E1129-F1132 HydrophobicContact CB-CD2 4.04Å; E1129-F1132 PolarHBondContact O-N 3.27Å; E1129-F1132 VanDerWaalsContact O-N 3.14Å; E1129-F1132 WeakPolarHBondContact OE2-CE2 3.45Å; Q1130-F1132 PolarHBondContact O-N 3.46Å; F1132-R1134 VanDerWaalsContact C-N 3.26Å; F1132-R1134 PolarHBondContact O-N 2.94Å; F1132-L1135 PolarHBondContact O-N 2.73Å; F1132-N1136 PolarHBondContact O-N 2.67Å; F1132-N1136 VanDerWaalsContact O-N 3.17Å |
| 1133 | R | 93.1 | Very high | 92.1 | Very high | 99 Ų | 99 | 58.2 Ų | 58.2 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.2 | -39.6 | 174.7 | -72.9 | -171.1 | -76.2 | 172.7 | -1.3 | 112.8 | L1127 E1129 Q1130 L1135 N1136 S1137 | L1127-R1133 HydrophobicContact CB-CG 4.43Å; L1127-R1133 HydrophobicContact CD2-CG 3.94Å; L1127-R1133 WeakPolarHBondContact O-CD 3.36Å; L1127-R1133 WeakPolarHBondContact O-CG 3.47Å; L1127-R1133 PolarHBondContact O-NE 2.85Å; E1129-R1133 PolarHBondContact O-N 2.93Å; E1129-R1133 VanDerWaalsContact O-N 3.15Å; Q1130-R1133 PolarHBondContact O-N 3.12Å; R1133-L1135 VanDerWaalsContact C-N 3.3Å; R1133-L1135 PolarHBondContact O-N 3.08Å; R1133-N1136 WeakPolarHBondContact O-CB 3.43Å; R1133-N1136 PolarHBondContact O-N 3.43Å; R1133-N1136 VanDerWaalsContact O-N 3.14Å; R1133-S1137 PolarHBondContact O-N 3.35Å; R1133-S1137 PolarHBondContact O-OG 3.29Å |
| 1134 | R | 88.4 | Confident | 92.1 | Very high | 92 Ų | 92 | 58.1 Ų | 58.1 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 179.7 | -175.6 | 172.2 | 177.6 | -156.8 | -1.8 | 111.4 | V1010 E1015 Q1130 F1132 S1137 Q1138 | V1010-R1134 HydrophobicContact CG1-CG 4.45Å; V1010-R1134 HydrophobicContact CG2-CB 4.34Å; E1015-R1134 IonicContact OE1-NH1 3.9Å; E1015-R1134 IonicContact OE2-CZ 3.96Å; E1015-R1134 IonicContact OE2-NH1 2.77Å; E1015-R1134 PolarHBondContact OE2-NH1 3.48Å; E1015-R1134 IonicContact OE2-NH2 2.9Å; E1015-R1134 PolarHBondContact OE2-NH2 2.78Å; Q1130-R1134 VanDerWaalsContact O-CB 3.3Å; Q1130-R1134 WeakPolarHBondContact O-CB 3.5Å; Q1130-R1134 PolarHBondContact O-N 3.1Å; F1132-R1134 VanDerWaalsContact C-N 3.26Å; F1132-R1134 PolarHBondContact O-N 2.94Å; R1134-S1137 PolarHBondContact O-N 3.14Å; R1134-Q1138 WeakPolarHBondContact O-CB 3.4Å; R1134-Q1138 VanDerWaalsContact O-CG 3.25Å; R1134-Q1138 WeakPolarHBondContact O-CG 3.33Å; R1134-Q1138 PolarHBondContact O-N 2.96Å; R1134-Q1138 VanDerWaalsContact O-N 3.1Å |
| 1135 | L | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 175.7 | -174.2 | 62.5 | 0 | 0 | 0 | 111.2 | G1008 V1010 H1016 F1132 R1133 S1137 Q1138 Q1139 A1143 L1146 | G1008-L1135 WeakPolarHBondContact O-CD2 3.35Å; V1010-L1135 HydrophobicContact CG2-CB 3.72Å; H1016-L1135 WeakPolarHBondContact O-CD1 3.4Å; F1132-L1135 PolarHBondContact O-N 2.73Å; R1133-L1135 VanDerWaalsContact C-N 3.3Å; R1133-L1135 PolarHBondContact O-N 3.08Å; L1135-S1137 VanDerWaalsContact C-N 3.28Å; L1135-S1137 PolarHBondContact O-N 2.86Å; L1135-Q1138 PolarHBondContact O-N 3.31Å; L1135-Q1138 VanDerWaalsContact O-N 3.15Å; L1135-Q1139 HydrophobicContact CD1-CB 4.36Å; L1135-Q1139 CarbonylContact O-C 3.53Å; L1135-Q1139 PolarHBondContact O-N 3.31Å; L1135-A1143 HydrophobicContact CD2-CB 4.19Å; L1135-A1143 HydrophobicContact CG-CB 3.96Å; L1135-L1146 HydrophobicContact CD2-CD1 3.73Å |
| 1136 | N | 91.6 | Very high | 92.1 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58 | -41 | 178.2 | -168.5 | 35.1 | 0 | 0 | 0 | 112.5 | L1127 F1132 R1133 P1140 A1143 W1147 | L1127-N1136 HydrophobicContact CD2-CB 4.14Å; F1132-N1136 PolarHBondContact O-N 2.67Å; F1132-N1136 VanDerWaalsContact O-N 3.17Å; R1133-N1136 WeakPolarHBondContact O-CB 3.43Å; R1133-N1136 PolarHBondContact O-N 3.43Å; R1133-N1136 VanDerWaalsContact O-N 3.14Å; N1136-P1140 WeakPolarHBondContact O-CA 3.47Å; N1136-P1140 WeakPolarHBondContact O-CB 3.42Å; N1136-P1140 WeakPolarHBondContact O-CD 3.45Å; N1136-A1143 HydrophobicContact CB-CB 4.22Å; N1136-W1147 HydrophobicContact CB-CH2 3.68Å; N1136-W1147 HydrophobicContact CB-CZ2 3.85Å; N1136-W1147 VanDerWaalsContact CG-CH2 3.41Å; N1136-W1147 WeakPolarHBondContact OD1-CH2 3.39Å |
| 1137 | S | 88.5 | Confident | 91.8 | Very high | 101 Ų | 101 | 57.3 Ų | 57.3 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -71 | -33.6 | 177.5 | -56 | 0 | 0 | 0 | 0 | 113.2 | R1133 R1134 L1135 | R1133-S1137 PolarHBondContact O-N 3.35Å; R1133-S1137 PolarHBondContact O-OG 3.29Å; R1134-S1137 PolarHBondContact O-N 3.14Å; L1135-S1137 VanDerWaalsContact C-N 3.28Å; L1135-S1137 PolarHBondContact O-N 2.86Å |
| 1138 | Q | 85.3 | Confident | 91.7 | Very high | 92 Ų | 92 | 60.6 Ų | 60.6 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -84.6 | -39.6 | -177.1 | -71.8 | 175.2 | -15.4 | 0 | 0 | 113 | R1134 L1135 | R1134-Q1138 WeakPolarHBondContact O-CB 3.4Å; R1134-Q1138 VanDerWaalsContact O-CG 3.25Å; R1134-Q1138 WeakPolarHBondContact O-CG 3.33Å; R1134-Q1138 PolarHBondContact O-N 2.96Å; R1134-Q1138 VanDerWaalsContact O-N 3.1Å; L1135-Q1138 PolarHBondContact O-N 3.31Å; L1135-Q1138 VanDerWaalsContact O-N 3.15Å |
| 1139 | Q | 90.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 60.2 Ų | 60.2 | 27% | 0.271 | 30% | 0.296 | S | S | . | . | trans | -146.9 | 72.6 | -173.1 | -59.1 | -178.6 | 4.6 | 0 | 0 | 110.2 | H1016 L1135 E1141 V1142 A1143 | H1016-Q1139 PolarHBondContact ND1-NE2 3.23Å; L1135-Q1139 HydrophobicContact CD1-CB 4.36Å; L1135-Q1139 CarbonylContact O-C 3.53Å; L1135-Q1139 PolarHBondContact O-N 3.31Å; Q1139-E1141 PolarHBondContact O-N 3.36Å; Q1139-V1142 HydrophobicContact CB-CB 3.82Å; Q1139-V1142 HydrophobicContact CB-CG2 4.01Å; Q1139-V1142 WeakPolarHBondContact O-CB 3.49Å; Q1139-V1142 PolarHBondContact O-N 2.89Å; Q1139-V1142 VanDerWaalsContact O-N 3.16Å; Q1139-A1143 PolarHBondContact O-N 3.44Å | ||
| 1140 | P | 91.8 | Very high | 91.4 | Very high | 73 Ų | 73 | 60.6 Ų | 60.6 | 47% | 0.474 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | -170.8 | 20.9 | -32.4 | 0 | 0 | 0 | 113.6 | N1136 V1142 A1143 E1144 | N1136-P1140 WeakPolarHBondContact O-CA 3.47Å; N1136-P1140 WeakPolarHBondContact O-CB 3.42Å; N1136-P1140 WeakPolarHBondContact O-CD 3.45Å; P1140-V1142 VanDerWaalsContact C-N 3.25Å; P1140-V1142 PolarHBondContact O-N 3.3Å; P1140-A1143 WeakPolarHBondContact O-CB 3.46Å; P1140-A1143 PolarHBondContact O-N 3.3Å; P1140-E1144 PolarHBondContact O-N 3.47Å |
| 1141 | E | 93.7 | Very high | 91.2 | Very high | 164 Ų | 164 | 58.8 Ų | 58.8 | 77% | 0.766 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.9 | -37.3 | 178.5 | -62.5 | 179.7 | 179.1 | 0 | 0 | 112.1 | Q1139 Q1145 | Q1139-E1141 PolarHBondContact O-N 3.36Å; E1141-Q1145 PolarHBondContact O-N 2.87Å; E1141-Q1145 VanDerWaalsContact O-N 3.15Å |
| 1142 | V | 92.2 | Very high | 91.1 | Very high | 46 Ų | 46 | 60.7 Ų | 60.7 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.6 | -38.4 | 179.3 | -179.6 | 0 | 0 | 0 | 0 | 111 | Q1139 P1140 L1146 | Q1139-V1142 HydrophobicContact CB-CB 3.82Å; Q1139-V1142 HydrophobicContact CB-CG2 4.01Å; Q1139-V1142 WeakPolarHBondContact O-CB 3.49Å; Q1139-V1142 PolarHBondContact O-N 2.89Å; Q1139-V1142 VanDerWaalsContact O-N 3.16Å; P1140-V1142 VanDerWaalsContact C-N 3.25Å; P1140-V1142 PolarHBondContact O-N 3.3Å; V1142-L1146 HydrophobicContact CG1-CD1 4.04Å; V1142-L1146 WeakPolarHBondContact O-CB 3.39Å; V1142-L1146 VanDerWaalsContact O-CG 3.3Å; V1142-L1146 WeakPolarHBondContact O-CG 3.24Å; V1142-L1146 PolarHBondContact O-N 2.95Å |
| 1143 | A | 91.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1135 N1136 Q1139 P1140 Q1145 L1146 W1147 | L1135-A1143 HydrophobicContact CD2-CB 4.19Å; L1135-A1143 HydrophobicContact CG-CB 3.96Å; N1136-A1143 HydrophobicContact CB-CB 4.22Å; Q1139-A1143 PolarHBondContact O-N 3.44Å; P1140-A1143 WeakPolarHBondContact O-CB 3.46Å; P1140-A1143 PolarHBondContact O-N 3.3Å; A1143-Q1145 VanDerWaalsContact C-N 3.33Å; A1143-Q1145 PolarHBondContact O-N 3.5Å; A1143-L1146 PolarHBondContact O-N 3.41Å; A1143-L1146 VanDerWaalsContact O-N 3.15Å; A1143-W1147 HydrophobicContact CB-CH2 3.94Å; A1143-W1147 HydrophobicContact CB-CZ2 3.69Å; A1143-W1147 HydrophobicContact CB-CZ3 4.44Å; A1143-W1147 PolarHBondContact O-N 2.87Å |
| 1144 | E | 92.6 | Very high | 90.7 | Very high | 92 Ų | 92 | 60 Ų | 60 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.7 | -46.2 | 178.2 | -171.5 | -172 | 166.9 | 0 | 0 | 111.6 | P1140 W1147 K1148 | P1140-E1144 PolarHBondContact O-N 3.47Å; E1144-W1147 PolarHBondContact O-N 2.89Å; E1144-K1148 WeakPolarHBondContact O-CG 3.37Å; E1144-K1148 PolarHBondContact O-N 3.47Å; E1144-K1148 VanDerWaalsContact O-N 3.14Å; E1144-K1148 WeakPolarHBondContact OE1-CE 3.48Å; E1144-K1148 IonicContact OE1-NZ 3.69Å; E1144-K1148 PolarHBondContact OE1-NZ 3.15Å |
| 1145 | Q | 92.7 | Very high | 90.8 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 48% | 0.477 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 177 | -174.8 | 59 | 52.9 | 0 | 0 | 111.8 | E1141 A1143 W1147 K1148 D1149 | E1141-Q1145 PolarHBondContact O-N 2.87Å; E1141-Q1145 VanDerWaalsContact O-N 3.15Å; A1143-Q1145 VanDerWaalsContact C-N 3.33Å; A1143-Q1145 PolarHBondContact O-N 3.5Å; Q1145-W1147 VanDerWaalsContact C-N 3.31Å; Q1145-W1147 PolarHBondContact O-N 3.05Å; Q1145-K1148 PolarHBondContact O-N 3.39Å; Q1145-D1149 PolarHBondContact NE2-OD1 2.92Å; Q1145-D1149 VanDerWaalsContact O-CG 3.24Å; Q1145-D1149 PolarHBondContact O-N 3.23Å |
| 1146 | L | 91.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.3 | -32.9 | -179.2 | -74.3 | 168.4 | 0 | 0 | 0 | 112.7 | L1007 L1135 V1142 A1143 A1150 | L1007-L1146 HydrophobicContact CD1-CD2 3.9Å; L1007-L1146 HydrophobicContact CD2-CD2 4.16Å; L1007-L1146 WeakPolarHBondContact CD2-O 3.5Å; L1007-L1146 HydrophobicContact CG-CD2 3.87Å; L1135-L1146 HydrophobicContact CD2-CD1 3.73Å; V1142-L1146 HydrophobicContact CG1-CD1 4.04Å; V1142-L1146 WeakPolarHBondContact O-CB 3.39Å; V1142-L1146 VanDerWaalsContact O-CG 3.3Å; V1142-L1146 WeakPolarHBondContact O-CG 3.24Å; V1142-L1146 PolarHBondContact O-N 2.95Å; A1143-L1146 PolarHBondContact O-N 3.41Å; A1143-L1146 VanDerWaalsContact O-N 3.15Å; L1146-A1150 VanDerWaalsContact O-CB 3.27Å; L1146-A1150 WeakPolarHBondContact O-CB 3.16Å; L1146-A1150 PolarHBondContact O-N 2.86Å |
| 1147 | W | 88.1 | Confident | 90.8 | Very high | 11 Ų | 11 | 65 Ų | 65 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.6 | -38 | 174.9 | -56 | -33.4 | 0 | 0 | 0 | 112.4 | E1123 L1127 N1136 A1143 E1144 Q1145 D1149 A1150 A1151 | E1123-W1147 HydrophobicContact CB-CE3 4.35Å; E1123-W1147 HydrophobicContact CG-CD2 4.25Å; E1123-W1147 HydrophobicContact CG-CE3 3.57Å; E1123-W1147 HydrophobicContact CG-CH2 4.41Å; E1123-W1147 HydrophobicContact CG-CZ3 3.69Å; E1123-W1147 WeakPolarHBondContact OE1-CZ3 3.46Å; L1127-W1147 HydrophobicContact CD1-CH2 4.2Å; L1127-W1147 HydrophobicContact CD2-CH2 3.73Å; L1127-W1147 HydrophobicContact CD2-CZ2 3.74Å; L1127-W1147 HydrophobicContact CG-CH2 4.21Å; L1127-W1147 HydrophobicContact CG-CZ2 4.33Å; N1136-W1147 HydrophobicContact CB-CH2 3.68Å; N1136-W1147 HydrophobicContact CB-CZ2 3.85Å; N1136-W1147 VanDerWaalsContact CG-CH2 3.41Å; N1136-W1147 WeakPolarHBondContact OD1-CH2 3.39Å; A1143-W1147 HydrophobicContact CB-CH2 3.94Å; A1143-W1147 HydrophobicContact CB-CZ2 3.69Å; A1143-W1147 HydrophobicContact CB-CZ3 4.44Å; A1143-W1147 PolarHBondContact O-N 2.87Å; E1144-W1147 PolarHBondContact O-N 2.89Å; Q1145-W1147 VanDerWaalsContact C-N 3.31Å; Q1145-W1147 PolarHBondContact O-N 3.05Å; W1147-D1149 VanDerWaalsContact C-N 3.34Å; W1147-A1150 PolarHBondContact O-N 2.83Å; W1147-A1151 WeakPolarHBondContact O-CB 3.36Å; W1147-A1151 PolarHBondContact O-N 3.25Å |
| 1148 | K | 90.9 | Very high | 90.9 | Very high | 110 Ų | 110 | 61 Ų | 61 | 48% | 0.478 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 172.6 | -72.2 | 173.7 | -174.3 | 167.2 | 0 | 111 | E1144 Q1145 A1150 A1151 A1152 | E1144-K1148 WeakPolarHBondContact O-CG 3.37Å; E1144-K1148 PolarHBondContact O-N 3.47Å; E1144-K1148 VanDerWaalsContact O-N 3.14Å; E1144-K1148 WeakPolarHBondContact OE1-CE 3.48Å; E1144-K1148 IonicContact OE1-NZ 3.69Å; E1144-K1148 PolarHBondContact OE1-NZ 3.15Å; Q1145-K1148 PolarHBondContact O-N 3.39Å; K1148-A1150 VanDerWaalsContact C-N 3.34Å; K1148-A1150 PolarHBondContact O-N 3.39Å; K1148-A1151 PolarHBondContact O-N 3.14Å; K1148-A1152 WeakPolarHBondContact O-CB 3.42Å; K1148-A1152 PolarHBondContact O-N 3.39Å |
| 1149 | D | 91.9 | Very high | 91.3 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.9 | -66.5 | -15.7 | 0 | 0 | 0 | 111.1 | L1007 Q1145 W1147 A1152 D1153 | L1007-D1149 HydrophobicContact CD2-CB 3.68Å; Q1145-D1149 PolarHBondContact NE2-OD1 2.92Å; Q1145-D1149 VanDerWaalsContact O-CG 3.24Å; Q1145-D1149 PolarHBondContact O-N 3.23Å; W1147-D1149 VanDerWaalsContact C-N 3.34Å; D1149-A1152 PolarHBondContact O-N 3.47Å; D1149-D1153 WeakPolarHBondContact O-CB 3.48Å; D1149-D1153 PolarHBondContact O-N 3.43Å |
| 1150 | A | 90.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1007 L1122 L1146 W1147 K1148 A1152 D1153 L1154 | L1007-A1150 HydrophobicContact CB-CB 4.28Å; L1007-A1150 HydrophobicContact CD2-CB 4.15Å; L1122-A1150 HydrophobicContact CD2-CB 4.01Å; L1146-A1150 VanDerWaalsContact O-CB 3.27Å; L1146-A1150 WeakPolarHBondContact O-CB 3.16Å; L1146-A1150 PolarHBondContact O-N 2.86Å; W1147-A1150 PolarHBondContact O-N 2.83Å; K1148-A1150 VanDerWaalsContact C-N 3.34Å; K1148-A1150 PolarHBondContact O-N 3.39Å; A1150-A1152 VanDerWaalsContact C-N 3.33Å; A1150-A1152 PolarHBondContact O-N 2.95Å; A1150-D1153 PolarHBondContact O-N 2.95Å; A1150-L1154 WeakPolarHBondContact O-CB 3.33Å; A1150-L1154 WeakPolarHBondContact O-CD1 3.48Å; A1150-L1154 WeakPolarHBondContact O-CG 3.38Å; A1150-L1154 PolarHBondContact O-N 3.29Å |
| 1151 | A | 90.5 | Very high | 91.7 | Very high | 43 Ų | 43 | 58 Ų | 58 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1122 W1147 K1148 L1154 Q1155 | L1122-A1151 HydrophobicContact CD2-CB 3.9Å; W1147-A1151 WeakPolarHBondContact O-CB 3.36Å; W1147-A1151 PolarHBondContact O-N 3.25Å; K1148-A1151 PolarHBondContact O-N 3.14Å; A1151-L1154 PolarHBondContact O-N 3.47Å; A1151-Q1155 WeakPolarHBondContact O-CB 3.2Å; A1151-Q1155 PolarHBondContact O-N 3.3Å |
| 1152 | A | 91 | Very high | 91.7 | Very high | 49 Ų | 49 | 50.6 Ų | 50.6 | 41% | 0.405 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1148 D1149 A1150 K1156 | K1148-A1152 WeakPolarHBondContact O-CB 3.42Å; K1148-A1152 PolarHBondContact O-N 3.39Å; D1149-A1152 PolarHBondContact O-N 3.47Å; A1150-A1152 VanDerWaalsContact C-N 3.33Å; A1150-A1152 PolarHBondContact O-N 2.95Å; A1152-K1156 WeakPolarHBondContact O-CG 3.3Å; A1152-K1156 PolarHBondContact O-N 3.46Å; A1152-K1156 VanDerWaalsContact O-N 3.16Å |
| 1153 | D | 90.2 | Very high | 91.8 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 176.5 | -170.1 | 58.4 | 0 | 0 | 0 | 111.9 | D1149 A1150 K1156 R1157 | D1149-D1153 WeakPolarHBondContact O-CB 3.48Å; D1149-D1153 PolarHBondContact O-N 3.43Å; A1150-D1153 PolarHBondContact O-N 2.95Å; D1153-K1156 PolarHBondContact O-N 3.15Å; D1153-R1157 WeakPolarHBondContact O-CB 3.48Å; D1153-R1157 PolarHBondContact O-N 3.48Å |
| 1154 | L | 90.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.3 | -70 | 168.7 | 0 | 0 | 0 | 112.3 | F1093 L1122 A1150 A1151 R1157 Y1158 | F1093-L1154 HydrophobicContact CB-CD1 4.15Å; F1093-L1154 HydrophobicContact CD2-CD1 3.86Å; F1093-L1154 HydrophobicContact CG-CD1 4.43Å; L1122-L1154 HydrophobicContact CD1-CD1 3.99Å; L1122-L1154 HydrophobicContact CD2-CD1 3.72Å; A1150-L1154 WeakPolarHBondContact O-CB 3.33Å; A1150-L1154 WeakPolarHBondContact O-CD1 3.48Å; A1150-L1154 WeakPolarHBondContact O-CG 3.38Å; A1150-L1154 PolarHBondContact O-N 3.29Å; A1151-L1154 PolarHBondContact O-N 3.47Å; L1154-R1157 PolarHBondContact O-N 3.15Å; L1154-Y1158 WeakPolarHBondContact O-CB 3.41Å; L1154-Y1158 PolarHBondContact O-N 3.31Å |
| 1155 | Q | 90.2 | Very high | 91.9 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 37% | 0.369 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 175 | -173.8 | 61.3 | 51.2 | 0 | 0 | 110.8 | A1151 R1157 Y1158 D1159 | A1151-Q1155 WeakPolarHBondContact O-CB 3.2Å; A1151-Q1155 PolarHBondContact O-N 3.3Å; Q1155-R1157 VanDerWaalsContact C-N 3.27Å; Q1155-R1157 PolarHBondContact O-N 3.44Å; Q1155-Y1158 PolarHBondContact O-N 3.31Å; Q1155-Y1158 VanDerWaalsContact O-N 3.14Å; Q1155-D1159 PolarHBondContact NE2-OD1 2.99Å; Q1155-D1159 PolarHBondContact O-N 2.92Å |
| 1156 | K | 91 | Very high | 91.8 | Very high | 146 Ų | 146 | 51.1 Ų | 51.1 | 64% | 0.635 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57 | -42.3 | 176.3 | -72.1 | 171.2 | -174.7 | 173.3 | 0 | 112.1 | A1152 D1153 D1159 F1160 | A1152-K1156 WeakPolarHBondContact O-CG 3.3Å; A1152-K1156 PolarHBondContact O-N 3.46Å; A1152-K1156 VanDerWaalsContact O-N 3.16Å; D1153-K1156 PolarHBondContact O-N 3.15Å; K1156-D1159 PolarHBondContact O-N 3.37Å; K1156-F1160 WeakPolarHBondContact O-CB 3.38Å; K1156-F1160 PolarHBondContact O-N 2.81Å |
| 1157 | R | 90.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 177.4 | -178 | 176 | 173.7 | 169.2 | -1.2 | 111.7 | R1022 D1024 D1153 L1154 Q1155 F1160 L1161 | R1022-R1157 VanDerWaalsContact NH2-NH1 3.11Å; D1024-R1157 IonicContact OD1-CZ 3.46Å; D1024-R1157 IonicContact OD1-NE 3.41Å; D1024-R1157 IonicContact OD1-NH1 2.72Å; D1024-R1157 IonicContact OD1-NH2 2.67Å; D1024-R1157 PolarHBondContact OD1-NH2 3.15Å; D1024-R1157 WeakPolarHBondContact OD2-CD 3.42Å; D1024-R1157 IonicContact OD2-CZ 3.2Å; D1024-R1157 IonicContact OD2-NE 2.72Å; D1024-R1157 PolarHBondContact OD2-NE 3.41Å; D1024-R1157 IonicContact OD2-NH1 2.7Å; D1024-R1157 PolarHBondContact OD2-NH1 3.08Å; D1024-R1157 IonicContact OD2-NH2 3.82Å; D1024-R1157 PolarHBondContact OD2-NH2 3.17Å; D1153-R1157 WeakPolarHBondContact O-CB 3.48Å; D1153-R1157 PolarHBondContact O-N 3.48Å; L1154-R1157 PolarHBondContact O-N 3.15Å; Q1155-R1157 VanDerWaalsContact C-N 3.27Å; Q1155-R1157 PolarHBondContact O-N 3.44Å; R1157-F1160 PolarHBondContact O-N 3.39Å; R1157-L1161 HydrophobicContact CG-CD1 4.4Å; R1157-L1161 WeakPolarHBondContact O-CG 3.3Å; R1157-L1161 PolarHBondContact O-N 2.86Å |
| 1158 | Y | 92.1 | Very high | 90.7 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.2 | -174.8 | -85.4 | 0 | 0 | 0 | 111.2 | P1095 L1113 R1116 P1117 P1118 L1154 Q1155 F1160 L1161 A1162 | P1095-Y1158 HydrophobicContact CB-CD2 4.45Å; L1113-Y1158 HydrophobicContact CD1-CE2 4.4Å; L1113-Y1158 HydrophobicContact CD2-CE1 4.25Å; L1113-Y1158 HydrophobicContact CD2-CE2 3.77Å; L1113-Y1158 WeakPolarHBondContact CD2-OH 3.5Å; L1113-Y1158 HydrophobicContact CG-CE2 4.39Å; R1116-Y1158 VanDerWaalsContact C-OH 3.27Å; R1116-Y1158 WeakPolarHBondContact O-CE2 3.41Å; P1117-Y1158 VanDerWaalsContact CA-CZ 3.4Å; P1117-Y1158 VanDerWaalsContact CA-OH 3.3Å; P1117-Y1158 WeakPolarHBondContact CA-OH 3.37Å; P1117-Y1158 HydrophobicContact CB-CE1 4.11Å; P1117-Y1158 WeakPolarHBondContact CD-OH 3.33Å; P1117-Y1158 HydrophobicContact CG-CE1 4.29Å; P1117-Y1158 WeakPolarHBondContact CG-OH 3.44Å; P1118-Y1158 HydrophobicContact CG-CD2 4.37Å; P1118-Y1158 HydrophobicContact CG-CG 4.21Å; L1154-Y1158 WeakPolarHBondContact O-CB 3.41Å; L1154-Y1158 PolarHBondContact O-N 3.31Å; Q1155-Y1158 PolarHBondContact O-N 3.31Å; Q1155-Y1158 VanDerWaalsContact O-N 3.14Å; Y1158-F1160 VanDerWaalsContact C-N 3.31Å; Y1158-F1160 PolarHBondContact O-N 3.27Å; Y1158-L1161 PolarHBondContact O-N 3.18Å; Y1158-A1162 HydrophobicContact CD1-CB 4.46Å; Y1158-A1162 HydrophobicContact CE1-CB 4.16Å; Y1158-A1162 WeakPolarHBondContact O-CB 3.38Å; Y1158-A1162 PolarHBondContact O-N 3.03Å |
| 1159 | D | 93.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 178.6 | -65.6 | -20.4 | 0 | 0 | 0 | 111.4 | Q1155 K1156 A1162 Q1163 | Q1155-D1159 PolarHBondContact NE2-OD1 2.99Å; Q1155-D1159 PolarHBondContact O-N 2.92Å; K1156-D1159 PolarHBondContact O-N 3.37Å; D1159-A1162 PolarHBondContact O-N 3.48Å; D1159-Q1163 WeakPolarHBondContact O-CB 3.44Å; D1159-Q1163 PolarHBondContact O-N 3.4Å |
| 1160 | F | 93.9 | Very high | 87.2 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 174.3 | 176.7 | -106.8 | 0 | 0 | 0 | 112.3 | V1027 K1156 R1157 Y1158 A1162 Q1163 M1164 | V1027-F1160 HydrophobicContact CG1-CE1 3.7Å; V1027-F1160 HydrophobicContact CG1-CZ 4.43Å; V1027-F1160 HydrophobicContact CG2-CD1 4.5Å; V1027-F1160 HydrophobicContact CG2-CE1 4.23Å; K1156-F1160 WeakPolarHBondContact O-CB 3.38Å; K1156-F1160 PolarHBondContact O-N 2.81Å; R1157-F1160 PolarHBondContact O-N 3.39Å; Y1158-F1160 VanDerWaalsContact C-N 3.31Å; Y1158-F1160 PolarHBondContact O-N 3.27Å; F1160-A1162 VanDerWaalsContact C-N 3.34Å; F1160-A1162 PolarHBondContact O-N 3.3Å; F1160-Q1163 WeakPolarHBondContact O-CB 3.45Å; F1160-Q1163 PolarHBondContact O-N 2.99Å; F1160-M1164 HydrophobicContact CD1-SD 4.15Å; F1160-M1164 HydrophobicContact CE1-CG 4.35Å; F1160-M1164 HydrophobicContact CE1-SD 3.39Å; F1160-M1164 WeakPolarHBondContact CE1-SD 3.43Å; F1160-M1164 HydrophobicContact CE2-CG 4.37Å; F1160-M1164 HydrophobicContact CE2-SD 4.25Å; F1160-M1164 HydrophobicContact CZ-CG 4.15Å; F1160-M1164 HydrophobicContact CZ-SD 3.46Å; F1160-M1164 WeakPolarHBondContact CZ-SD 3.49Å; F1160-M1164 PolarHBondContact O-N 2.8Å |
| 1161 | L | 95 | Very high | 85 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 175.7 | -68.5 | 171.9 | 0 | 0 | 0 | 111.9 | V1027 M1030 P1095 Y1097 L1111 L1113 R1157 Y1158 Q1163 M1164 A1165 | V1027-L1161 HydrophobicContact CG2-CD2 4.11Å; M1030-L1161 HydrophobicContact CE-CD2 4.03Å; P1095-L1161 HydrophobicContact CB-CD1 4.17Å; P1095-L1161 HydrophobicContact CG-CD1 3.8Å; Y1097-L1161 HydrophobicContact CD1-CD1 3.99Å; Y1097-L1161 HydrophobicContact CD1-CD2 4.47Å; Y1097-L1161 HydrophobicContact CE1-CD1 4.15Å; L1111-L1161 HydrophobicContact CD2-CB 4.37Å; L1111-L1161 HydrophobicContact CD2-CD2 4.04Å; L1111-L1161 VanDerWaalsContact CD2-O 3.24Å; L1111-L1161 WeakPolarHBondContact CD2-O 3.3Å; L1113-L1161 HydrophobicContact CD1-CB 4.25Å; R1157-L1161 HydrophobicContact CG-CD1 4.4Å; R1157-L1161 WeakPolarHBondContact O-CG 3.3Å; R1157-L1161 PolarHBondContact O-N 2.86Å; Y1158-L1161 PolarHBondContact O-N 3.18Å; L1161-Q1163 VanDerWaalsContact C-N 3.34Å; L1161-M1164 PolarHBondContact O-N 3.46Å; L1161-A1165 VanDerWaalsContact O-CB 3.3Å; L1161-A1165 WeakPolarHBondContact O-CB 3.37Å; L1161-A1165 PolarHBondContact O-N 2.86Å |
| 1162 | A | 94.1 | Very high | 82.7 | Confident | 7 Ų | 7 | 78.2 Ų | 78.2 | 6% | 0.058 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1113 Y1158 D1159 F1160 A1165 G1166 K1167 A1168 | L1113-A1162 HydrophobicContact CD2-CB 4.14Å; Y1158-A1162 HydrophobicContact CD1-CB 4.46Å; Y1158-A1162 HydrophobicContact CE1-CB 4.16Å; Y1158-A1162 WeakPolarHBondContact O-CB 3.38Å; Y1158-A1162 PolarHBondContact O-N 3.03Å; D1159-A1162 PolarHBondContact O-N 3.48Å; F1160-A1162 VanDerWaalsContact C-N 3.34Å; F1160-A1162 PolarHBondContact O-N 3.3Å; A1162-A1165 PolarHBondContact O-N 3.16Å; A1162-G1166 PolarHBondContact O-N 3.27Å; A1162-K1167 PolarHBondContact O-N 3.31Å; A1162-A1168 PolarHBondContact O-N 2.79Å |
| 1163 | Q | 94.1 | Very high | 80.2 | Confident | 134 Ų | 134 | 81.2 Ų | 81.2 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.2 | -49.3 | 173.4 | -173.7 | 180 | 5 | 0 | 0 | 111.3 | D1159 F1160 L1161 A1165 G1166 A1168 | D1159-Q1163 WeakPolarHBondContact O-CB 3.44Å; D1159-Q1163 PolarHBondContact O-N 3.4Å; F1160-Q1163 WeakPolarHBondContact O-CB 3.45Å; F1160-Q1163 PolarHBondContact O-N 2.99Å; L1161-Q1163 VanDerWaalsContact C-N 3.34Å; Q1163-A1165 PolarHBondContact O-N 2.94Å; Q1163-G1166 PolarHBondContact O-N 2.64Å; Q1163-G1166 VanDerWaalsContact O-N 3.08Å; Q1163-A1168 HydrophobicContact CB-CB 4.37Å |
| 1164 | M | 92.7 | Very high | 77.6 | Confident | 46 Ų | 46 | 89 Ų | 89 | 23% | 0.227 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.6 | -31.5 | 176.6 | -74.4 | -174.2 | 71.1 | 0 | 0 | 113.2 | M1031 L1111 F1160 L1161 G1166 | M1031-M1164 HydrophobicContact CE-CE 3.63Å; M1031-M1164 HydrophobicContact CE-SD 4.2Å; L1111-M1164 HydrophobicContact CB-CB 4.43Å; L1111-M1164 HydrophobicContact CD2-CB 3.41Å; L1111-M1164 VanDerWaalsContact CD2-CB 3.41Å; F1160-M1164 HydrophobicContact CD1-SD 4.15Å; F1160-M1164 HydrophobicContact CE1-CG 4.35Å; F1160-M1164 HydrophobicContact CE1-SD 3.39Å; F1160-M1164 WeakPolarHBondContact CE1-SD 3.43Å; F1160-M1164 HydrophobicContact CE2-CG 4.37Å; F1160-M1164 HydrophobicContact CE2-SD 4.25Å; F1160-M1164 HydrophobicContact CZ-CG 4.15Å; F1160-M1164 HydrophobicContact CZ-SD 3.46Å; F1160-M1164 WeakPolarHBondContact CZ-SD 3.49Å; F1160-M1164 PolarHBondContact O-N 2.8Å; L1161-M1164 PolarHBondContact O-N 3.46Å; M1164-G1166 VanDerWaalsContact C-N 3.3Å |
| 1165 | A | 93.8 | Very high | 77 | Confident | 14 Ų | 14 | 92.8 Ų | 92.8 | 12% | 0.116 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1111 L1113 L1161 A1162 Q1163 K1167 | L1111-A1165 HydrophobicContact CB-CB 4.5Å; L1111-A1165 HydrophobicContact CD2-CB 4.09Å; L1111-A1165 HydrophobicContact CG-CB 4.27Å; L1113-A1165 HydrophobicContact CB-CB 3.89Å; L1161-A1165 VanDerWaalsContact O-CB 3.3Å; L1161-A1165 WeakPolarHBondContact O-CB 3.37Å; L1161-A1165 PolarHBondContact O-N 2.86Å; A1162-A1165 PolarHBondContact O-N 3.16Å; Q1163-A1165 PolarHBondContact O-N 2.94Å; A1165-K1167 VanDerWaalsContact C-N 3.27Å; A1165-K1167 HydrophobicContact CB-CG 4.36Å; A1165-K1167 PolarHBondContact O-N 2.99Å |
| 1166 | G | 91 | Very high | 76.3 | Confident | 57 Ų | 57 | 93.5 Ų | 93.5 | 59% | 0.588 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 25.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1162 Q1163 M1164 | A1162-G1166 PolarHBondContact O-N 3.27Å; Q1163-G1166 PolarHBondContact O-N 2.64Å; Q1163-G1166 VanDerWaalsContact O-N 3.08Å; M1164-G1166 VanDerWaalsContact C-N 3.3Å |
| 1167 | K | 83.5 | Confident | 75.4 | Confident | 123 Ų | 123 | 90.6 Ų | 90.6 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | trans | -111.4 | 4.9 | -179.1 | -67.7 | -173.8 | 178.6 | -178.2 | 0 | 113.7 | L1113 A1162 A1165 E1169 | L1113-K1167 HydrophobicContact CB-CD 4.38Å; L1113-K1167 PolarHBondContact O-NZ 3.13Å; A1162-K1167 PolarHBondContact O-N 3.31Å; A1165-K1167 VanDerWaalsContact C-N 3.27Å; A1165-K1167 HydrophobicContact CB-CG 4.36Å; A1165-K1167 PolarHBondContact O-N 2.99Å; K1167-E1169 PolarHBondContact O-N 3.19Å | ||
| 1168 | A | 73.8 | Confident | 74.5 | Confident | 56 Ų | 56 | 94.5 Ų | 94.5 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -59.6 | 132.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | A1162 Q1163 K1170 | A1162-A1168 PolarHBondContact O-N 2.79Å; Q1163-A1168 HydrophobicContact CB-CB 4.37Å; A1168-K1170 PolarHBondContact O-N 3.39Å |
| 1169 | E | 60.1 | Low | 73.4 | Confident | 190 Ų | 190 | 99.3 Ų | 99.3 | 89% | 0.888 | 54% | 0.538 | S | S | * | . | trans | -57 | 124.9 | 170.8 | -72.6 | -172.1 | 162.5 | 0 | 0 | 107.9 | K1167 S1171 | K1167-E1169 PolarHBondContact O-N 3.19Å; E1169-S1171 PolarHBondContact O-N 2.97Å | ||
| 1170 | K | 48.3 | Very low | 72.1 | Confident | 192 Ų | 192 | 100.7 Ų | 100.7 | 84% | 0.835 | 55% | 0.546 | S | S | * | . | trans | -58.2 | 112.6 | 168.4 | -76 | -174.4 | 175.2 | -172.2 | 0 | 106.2 | A1168 N1172 | A1168-K1170 PolarHBondContact O-N 3.39Å; K1170-N1172 PolarHBondContact O-N 3.41Å | ||
| 1171 | S | 44.6 | Very low | 70.6 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 63% | 0.629 | 56% | 0.559 | S | S | * | * | trans | -52.5 | 128 | 171.3 | 56.1 | 0 | 0 | 0 | 0 | 107.6 | E1169 T1173 | E1169-S1171 PolarHBondContact O-N 2.97Å; S1171-T1173 PolarHBondContact O-N 3.2Å; S1171-T1173 PolarHBondContact OG-OG1 2.71Å | ||
| 1172 | N | 42.4 | Very low | 68.7 | Low | 174 Ų | 174 | 109.9 Ų | 109.9 | 93% | 0.93 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -67.2 | 50 | 179.7 | -86.9 | -28.5 | 0 | 0 | 0 | 113 | K1170 | K1170-N1172 PolarHBondContact O-N 3.41Š|
| 1173 | T | 39.4 | Very low | 66.6 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 68% | 0.681 | 65% | 0.648 | S | S | * | * | trans | -132.2 | 66.9 | 173.7 | 52.2 | 0 | 0 | 0 | 0 | 107.7 | S1171 | S1171-T1173 PolarHBondContact O-N 3.2Å; S1171-T1173 PolarHBondContact OG-OG1 2.71Å | ||
| 1174 | D | 35 | Very low | 64.1 | Low | 235 Ų | 235 | 117.1 Ų | 117.1 | 100% | 1.257 | 65% | 0.65 | S | S | * | * | trans | -140.4 | 0 | 158 | -92.8 | -21.3 | 0 | 0 | 0 | 108.4 |
Retrieved 1,174 of 1,174 residues in 1531.9 ms
(Link to these results)